MOLFORM

STRUCSTATUS
0

AROMATICS

HISTORY

TERMTYPE
1
ESSTRUCS
	H
ATOM 1
	C
ATOM 4
	N
ATOM 3
	O
ATOM 2
	C=C
SUBSTRUCTURE
2 0
2 1 1 C 1 0 1 0 0
1 2 2 C 1 0 1 0 0
	MONOSUBSC=C
SUBSTRUCTURE
3 0
3 2 2 C 2 2 1 0 0
2 3 3 1 C 1 1 1 0 0
1 2 X 1 0 1 0 0
	SYMDISUBSC=C
SUBSTRUCTURE
4 0
4 3 X 1 0 1 0 0
3 4 2 2 C 1 1 1 0 0
2 3 3 1 C 1 1 1 0 0
1 2 X 1 0 1 0 0
	UNSYMDISUBSC=C
SUBSTRUCTURE
4 0
4 2 X 1 0 1 0 0
3 2 2 C 2 2 1 0 0
2 4 3 3 1 C 1 0 1 0 0
1 2 X 1 0 1 0 0
	TRISUBSC=C
SUBSTRUCTURE
5 0
5 2 X 1 0 1 0 0
4 3 X 1 0 1 0 0
3 4 2 2 C 1 1 1 0 0
2 5 3 3 1 C 1 0 1 0 0
1 2 X 1 0 1 0 0
	TETRASUBSC=C
SUBSTRUCTURE
6 0
6 3 X 1 0 1 0 0
5 2 X 1 0 1 0 0
4 3 X 1 0 1 0 0
3 6 4 2 2 C 1 0 1 0 0
2 5 3 3 1 C 1 0 1 0 0
1 2 X 1 0 1 0 0
	CONJDIENE
SUBSTRUCTURE
4 0
4 3 3 C 1 0 1 0 0
3 4 4 2 C 1 0 1 0 0
2 3 1 1 C 1 0 1 0 0
1 2 2 C 1 0 1 0 0
	ALKYNE
SUBSTRUCTURE
2 0
2 1 1 1 C 1 0 1 0 0
1 2 2 2 C 1 0 1 0 0
	ALLENE
SUBSTRUCTURE
3 0
3 2 2 C 1 0 1 0 0
2 3 3 1 1 C 1 0 1 0 0
1 2 2 C 1 0 1 0 0
	ALLYLICOH
SUBSTRUCTURE
4 0
4 3 O 1 1 1 0 0
3 4 2 C 1 0 1 0 0
2 3 1 1 C 1 0 1 0 0
1 2 2 C 1 0 1 0 0
	PRIMARYOH
SUBSTRUCTURE
3 0
3 2 X 1 0 1 0 0
2 3 1 C 2 2 1 0 0
1 2 O 1 1 1 0 0
	SECONDARYOH
SUBSTRUCTURE
4 0
4 2 O 1 1 1 0 0
3 2 X 1 0 1 0 0
2 4 3 1 C 1 1 1 0 0
1 2 X 1 0 1 0 0
	TERTIARYOH
SUBSTRUCTURE
5 0
5 2 O 1 1 1 0 0
4 2 X 1 0 1 0 0
3 2 X 1 0 1 0 0
2 5 4 3 1 C 1 0 1 0 0
1 2 X 1 0 1 0 0
	GEMDIOL
SUBSTRUCTURE
4 0
4 2 X 1 0 1 0 0
3 2 O 1 1 1 0 0
2 4 3 1 C 1 0 1 0 0
1 2 O 1 1 1 0 0
	GLYCOL
SUBSTRUCTURE
4 0
4 3 O 1 1 1 0 0
3 4 2 C 1 2 1 0 0
2 3 1 C 1 2 1 0 0
1 2 O 1 1 1 0 0
	PINACOL
SUBSTRUCTURE
4 0
4 3 O 1 1 1 0 0
3 4 2 C 0 0 1 0 0
2 3 1 C 0 0 1 0 0
1 2 O 1 1 1 0 0
	ETHER
SUBSTRUCTURE
3 0
3 2 C 1 0 1 0 32
2 3 1 O 1 0 1 0 0
1 2 C 1 0 1 0 32
	VINYLETHER
SUBSTRUCTURE
4 0
4 3 C 1 0 1 0 32
3 4 2 O 1 0 1 0 0
2 3 1 1 C 1 0 1 0 0
1 2 2 C 1 0 1 0 0
	PEROXIDE
SUBSTRUCTURE
4 0
4 3 X 1 0 1 0 0
3 4 2 O 1 0 1 0 0
2 3 1 O 1 0 1 0 0
1 2 X 1 0 1 0 0
	ACID
SUBSTRUCTURE
3 0
3 2 O 1 1 1 0 0
2 3 1 1 C 1 0 1 0 0
1 2 2 O 1 0 1 0 0
	PERACID
SUBSTRUCTURE
4 0
4 3 O 1 1 1 0 0
3 4 2 O 1 0 1 0 0
2 3 1 1 C 1 0 1 0 0
1 2 2 O 1 0 1 0 0
	PEROL
SUBSTRUCTURE
3 0
3 2 O 1 1 1 0 0
2 3 1 O 1 0 1 0 0
1 2 X 1 0 1 0 0
	ANHYDRIDE
SUBSTRUCTURE
5 0
5 4 4 O 1 0 1 0 0
4 5 5 3 C 1 0 1 0 0
3 4 2 O 1 0 1 0 0
2 3 1 1 C 1 0 1 0 0
1 2 2 O 1 0 1 0 0
	ESTER
SUBSTRUCTURE
4 0
4 3 C 1 0 1 0 0
3 4 2 O 1 0 1 0 0
2 3 1 1 C 1 0 1 0 0
1 2 2 O 1 0 1 0 0
	PERESTER
SUBSTRUCTURE
5 0
5 4 C 1 0 1 0 0
4 5 3 O 1 0 1 0 0
3 4 2 O 1 0 1 0 0
2 3 1 1 C 1 0 1 0 0
1 2 2 O 1 0 1 0 0
	ORTHOESTER
SUBSTRUCTURE
7 0
7 6 C 1 0 1 0 0
6 7 3 O 1 0 1 0 0
5 4 C 1 0 1 0 0
4 5 3 O 1 0 1 0 0
3 6 4 2 C 1 0 1 0 0
2 3 1 O 1 0 1 0 0
1 2 C 1 0 1 0 0
	ALDEHYDE
SUBSTRUCTURE
3 0
3 2 2 O 1 0 1 0 0
2 3 3 1 C 1 1 1 0 0
1 2 C 1 0 1 0 0
	ABUNSATALDEHYDE
SUBSTRUCTURE
4 0
4 3 3 O 1 0 1 0 0
3 4 4 2 C 1 1 1 0 0
2 3 1 1 C 1 0 1 0 0
1 2 2 C 1 0 1 0 0
	KETONE
SUBSTRUCTURE
4 0
4 2 2 O 1 0 1 0 0
3 2 C 1 0 1 0 0
2 4 4 3 1 C 1 0 1 0 0
1 2 C 1 0 1 0 0
	KETENE
SUBSTRUCTURE
3 0
3 2 2 O 1 0 1 0 0
2 3 3 1 1 C 1 0 1 0 0
1 2 2 C 1 0 1 0 0
	ABUNSATKETONE
SUBSTRUCTURE
5 0
5 2 2 O 1 0 1 0 0
4 3 3 C 1 0 1 0 0
3 4 4 2 C 1 0 1 0 0
2 5 5 3 1 C 1 0 1 0 0
1 2 C 1 0 1 0 0
	ENOL
SUBSTRUCTURE
3 0
3 2 O 1 1 1 0 0
2 3 1 1 C 1 0 1 0 0
1 2 2 C 1 0 1 0 0
	HEMIACETAL
SUBSTRUCTURE
5 0
5 2 O 1 1 1 0 0
4 3 C 1 0 1 0 0
3 4 2 O 1 0 1 0 0
2 5 3 1 C 1 1 1 0 0
1 2 C 1 0 1 0 0
	ACETAL
SUBSTRUCTURE
6 0
6 3 C 1 0 1 0 0
5 4 C 1 0 1 0 0
4 5 3 O 1 0 1 0 0
3 6 4 2 C 1 1 1 0 0
2 3 1 O 1 0 1 0 0
1 2 C 1 0 1 0 0
	KETAL
SUBSTRUCTURE
7 0
7 3 C 1 0 1 0 0
6 3 C 1 0 1 0 0
5 4 C 1 0 1 0 0
4 5 3 O 1 0 1 0 0
3 7 6 4 2 C 1 0 1 0 0
2 3 1 O 1 0 1 0 0
1 2 C 1 0 1 0 0
	ALDOL
SUBSTRUCTURE
6 0
6 4 O 1 1 1 0 0
5 4 C 1 0 1 0 0
4 6 5 3 C 1 0 1 0 0
3 4 2 C 1 0 1 0 0
2 3 1 1 C 1 0 1 0 0
1 2 2 O 1 0 1 0 0
	C=N
SUBSTRUCTURE
2 0
2 1 1 C 1 0 1 0 0
1 2 2 N 1 0 1 0 0
	IMIDOESTER
SUBSTRUCTURE
4 0
4 3 C 1 0 1 0 0
3 4 2 O 1 0 1 0 0
2 3 1 1 C 1 0 1 0 0
1 2 2 N 1 0 1 0 0
	IMIDOACID
SUBSTRUCTURE
3 0
3 2 O 1 1 1 0 0
2 3 1 1 C 1 0 1 0 0
1 2 2 N 1 0 1 0 0
	ALDIMINE
SUBSTRUCTURE
2 0
2 1 1 C 1 1 1 0 0
1 2 2 N 1 1 1 0 0
	KETIMINE
SUBSTRUCTURE
2 0
2 1 1 C 0 0 1 0 0
1 2 2 N 1 1 1 0 0
	N-O
SUBSTRUCTURE
2 0
2 1 O 1 0 1 0 0
1 2 N 1 0 1 0 0
	N-OR
SUBSTRUCTURE
3 0
3 2 X 1 0 1 0 0
2 3 1 O 1 0 1 0 0
1 2 N 1 0 1 0 0
	N=O
SUBSTRUCTURE
2 0
2 1 1 O 1 0 1 0 0
1 2 2 N 1 0 1 0 0
	HYDROXYLAMINE
SUBSTRUCTURE
3 0
3 2 O 1 1 1 0 0
2 3 1 N 1 0 1 0 0
1 2 X 1 0 1 0 0
	ALDOXIME
SUBSTRUCTURE
3 0
3 2 O 1 1 1 0 0
2 3 1 1 N 1 0 1 0 0
1 2 2 C 1 1 1 0 0
	KETOXIME
SUBSTRUCTURE
3 0
3 2 O 1 1 1 0 0
2 3 1 1 N 1 0 1 0 0
1 2 2 C 0 0 1 0 0
	HYDRAZONE
SUBSTRUCTURE
3 0
3 2 N 1 0 1 0 0
2 3 1 1 N 1 0 1 0 0
1 2 2 C 1 0 1 0 0
	SEMICARBAZONE
SUBSTRUCTURE
6 0
6 4 4 O 1 0 1 0 0
5 4 N 1 0 1 0 0
4 6 6 5 3 C 1 0 1 0 0
3 4 2 N 1 0 1 0 0
2 3 1 1 N 1 0 1 0 0
1 2 2 C 1 0 1 0 0
	AMINE
SUBSTRUCTURE
2 0
2 1 C 1 0 1 0 0
1 2 N 1 0 1 0 0
	PRIMARYAMINE
SUBSTRUCTURE
2 0
2 1 N 2 2 1 0 0
1 2 C 1 0 1 0 0
	SECONDARYAMINE
SUBSTRUCTURE
3 0
3 2 C 1 0 1 0 0
2 3 1 N 1 1 1 0 0
1 2 C 1 0 1 0 0
	TERTIARYAMINE
SUBSTRUCTURE
4 0
4 2 C 1 0 1 0 0
3 2 C 1 0 1 0 0
2 4 3 1 N 1 0 1 0 0
1 2 C 1 0 1 0 0
	NITRILE
SUBSTRUCTURE
2 0
2 1 1 1 C 1 0 1 0 0
1 2 2 2 N 1 0 1 0 0
	AMIDE
SUBSTRUCTURE
3 0
3 2 N 1 0 1 0 0
2 3 1 1 C 1 0 1 0 0
1 2 2 O 1 0 1 0 0
	HYDRAZINE
SUBSTRUCTURE
2 0
2 1 N 1 2 1 0 0
1 2 N 1 2 1 0 0
	AZO
SUBSTRUCTURE
2 0
2 1 1 N 1 0 1 0 0
1 2 2 N 1 0 1 0 0
	CNITROSO
SUBSTRUCTURE
3 0
3 2 2 O 1 0 1 0 0
2 3 3 1 N 1 0 1 0 0
1 2 C 1 0 1 0 0
	NNITROSO
SUBSTRUCTURE
3 0
3 2 2 O 1 0 1 0 0
2 3 3 1 N 1 0 1 0 0
1 2 N 1 0 1 0 0
	DIAZOHYDROXIDE
SUBSTRUCTURE
3 0
3 2 O 1 1 1 0 0
2 3 1 1 N 1 0 1 0 0
1 2 2 N 1 0 1 0 0
	ISOCYANATE
SUBSTRUCTURE
3 0
3 2 2 O 1 0 1 0 0
2 3 3 1 1 C 1 0 1 0 0
1 2 2 N 1 0 1 0 0
	AMIDINE
SUBSTRUCTURE
3 0
3 2 N 1 0 1 0 0
2 3 1 1 C 1 0 1 0 0
1 2 2 N 1 0 1 0 0
	N-N
SUBSTRUCTURE
2 0
2 1 N 1 0 1 0 0
1 2 N 1 0 1 0 0
	S
ATOM 2
	THIOL
SUBSTRUCTURE
2 0
2 1 S 1 1 1 0 0
1 2 C 1 0 1 0 0
	SULFIDE
SUBSTRUCTURE
3 0
3 2 C 1 0 1 0 0
2 3 1 S 1 0 1 0 0
1 2 C 1 0 1 0 0
	DISULFIDE
SUBSTRUCTURE
2 0
2 1 S 1 0 1 0 0
1 2 S 1 0 1 0 0
	O=C-S
SUBSTRUCTURE
3 0
3 2 S 1 0 1 0 0
2 3 1 1 C 1 0 1 0 0
1 2 2 O 1 0 1 0 0
	S=C-O
SUBSTRUCTURE
3 0
3 2 O 1 0 1 0 0
2 3 1 1 C 1 0 1 0 0
1 2 2 S 1 0 1 0 0
	S=C-S
SUBSTRUCTURE
3 0
3 2 S 1 0 1 0 0
2 3 1 1 C 1 0 1 0 0
1 2 2 S 1 0 1 0 0
	THIOALDEHYDE
SUBSTRUCTURE
2 0
2 1 1 S 1 0 1 0 0
1 2 2 C 1 1 1 0 0
	THIOKETONE
SUBSTRUCTURE
4 0
4 2 2 S 1 0 1 0 0
3 2 C 1 0 1 0 0
2 4 4 3 1 C 1 0 1 0 0
1 2 C 1 0 1 0 0
	THIOCYANATE
SUBSTRUCTURE
3 0
3 2 2 2 N 1 0 1 0 0
2 3 3 3 1 C 1 0 1 0 0
1 2 S 1 0 1 0 0
	ISOTHIOCYANATE
SUBSTRUCTURE
3 0
3 2 2 S 1 0 1 0 0
2 3 3 1 1 C 1 0 1 0 0
1 2 2 N 1 0 1 0 0
	S=C-N
SUBSTRUCTURE
3 0
3 2 N 1 0 1 0 0
2 3 1 1 C 1 0 1 0 0
1 2 2 S 1 0 1 0 0
	S-C=N
SUBSTRUCTURE
3 0
3 2 2 N 1 0 1 0 0
2 3 3 1 C 1 0 1 0 0
1 2 S 1 0 1 0 0
	S-O
SUBSTRUCTURE
2 0
2 1 O 1 0 1 0 0
1 2 S 1 0 1 0 0
	HYDROXYSULFIDE
SUBSTRUCTURE
2 0
2 1 O 1 1 1 0 0
1 2 S 1 0 1 0 0
	S-N
SUBSTRUCTURE
2 0
2 1 N 1 0 1 0 0
1 2 S 1 0 1 0 0
	S=N
SUBSTRUCTURE
2 0
2 1 1 N 1 0 1 0 0
1 2 2 S 1 0 1 0 0
	EPOXIDES
SUBSTRUCTURE
3 1
2 1 
3 1 2 O 1 0 1 0 0
2 1 3 C 1 0 1 0 0
1 2 3 C 1 0 1 0 0
	CYCLOPROPANONES
SUBSTRUCTURE
4 1
2 1 
4 3 3 O 1 0 1 0 0
3 4 4 1 2 C 1 0 1 0 0
2 1 3 C 1 0 1 0 0
1 2 3 C 1 0 1 0 0
	CYCLOPROPENES
SUBSTRUCTURE
3 2
3 1 3 2 
3 1 2 C 1 0 1 0 0
2 3 1 1 C 1 0 1 0 0
1 3 2 2 C 1 0 1 0 0
	CYCLOBUTENES
SUBSTRUCTURE
4 3
4 1 4 3 3 2 
4 1 3 C 1 0 1 0 0
3 4 2 C 1 0 1 0 0
2 3 1 1 C 1 0 1 0 0
1 4 2 2 C 1 0 1 0 0
	BETA-LACTONE
SUBSTRUCTURE
5 0
5 1 1 O 1 0 1 0 0
4 1 3 O 1 0 1 0 0
3 4 2 C 1 0 1 0 0
2 3 1 C 1 0 1 0 0
1 5 5 4 2 C 1 0 1 0 0
	ALPHA-LACTONE
SUBSTRUCTURE
4 0
4 1 1 O 1 0 1 0 0
3 1 2 O 1 0 1 0 0
2 3 1 C 1 0 1 0 0
1 4 4 3 2 C 1 0 1 0 0
	GAMMA-LACTONE
SUBSTRUCTURE
6 0
6 1 1 O 1 0 1 0 0
5 1 4 O 1 0 1 0 0
4 5 3 C 1 0 1 0 0
3 4 2 C 1 0 1 0 0
2 3 1 C 1 0 1 0 0
1 6 6 5 2 C 1 0 1 0 0
	DELTA-LACTONE
SUBSTRUCTURE
7 0
7 1 1 O 1 0 1 0 0
6 1 5 O 1 0 1 0 0
5 6 4 C 1 0 1 0 0
4 5 3 C 1 0 1 0 0
3 4 2 C 1 0 1 0 0
2 3 1 C 1 0 1 0 0
1 7 7 6 2 C 1 0 1 0 0
	A-B-UNSAT-G-LACTONE
SUBSTRUCTURE
6 0
6 1 1 O 1 0 1 0 0
5 1 4 O 1 0 1 0 0
4 5 3 C 1 0 1 0 0
3 2 2 4 C 1 0 1 0 0
2 3 3 1 C 1 0 1 0 0
1 6 6 5 2 C 1 0 1 0 0
	B-G-UNSAT-G-LACTONE
SUBSTRUCTURE
6 0
6 1 1 O 1 0 1 0 0
5 1 4 O 1 0 1 0 0
4 3 3 5 C 1 0 1 0 0
3 4 4 2 C 1 0 1 0 0
2 3 1 C 1 0 1 0 0
1 6 6 5 2 C 1 0 1 0 0
	A-B-UNSAT-D-LACTONE
SUBSTRUCTURE
7 0
7 1 1 O 1 0 1 0 0
6 1 5 O 1 0 1 0 0
5 6 4 C 1 0 1 0 0
4 5 3 C 1 0 1 0 0
3 2 2 4 C 1 0 1 0 0
2 3 3 1 C 1 0 1 0 0
1 7 7 6 2 C 1 0 1 0 0
	B-G-UNSAT-D-LACTONE
SUBSTRUCTURE
7 0
7 1 1 O 1 0 1 0 0
6 1 5 O 1 0 1 0 0
5 6 4 C 1 0 1 0 0
4 3 3 5 C 1 0 1 0 0
3 4 4 2 C 1 0 1 0 0
2 3 1 C 1 0 1 0 0
1 7 7 6 2 C 1 0 1 0 0
	G-D-UNSAT-D-LACTONE
SUBSTRUCTURE
7 0
7 1 1 O 1 0 1 0 0
6 1 5 O 1 0 1 0 0
5 4 4 6 C 1 0 1 0 0
4 5 5 3 C 1 0 1 0 0
3 4 2 C 1 0 1 0 0
2 3 1 C 1 0 1 0 0
1 7 7 6 2 C 1 0 1 0 0
	BENZENOID
SUBSTRUCTURE
6 0
6 5 5 1 C 1 0 1 0 0
5 6 6 4 C 1 0 1 0 0
4 3 3 5 C 1 0 1 0 0
3 4 4 2 C 1 0 1 0 0
2 1 1 3 C 1 0 1 0 0
1 2 2 6 C 1 0 1 0 0
	QUINOID
SUBSTRUCTURE
8 0
8 4 4 O 1 0 1 0 0
7 1 1 O 1 0 1 0 0
6 5 5 1 C 1 0 1 0 0
5 6 6 4 C 1 0 1 0 0
4 8 8 5 3 C 1 0 1 0 0
3 2 2 4 C 1 0 1 0 0
2 3 3 1 C 1 0 1 0 0
1 7 7 6 2 C 1 0 1 0 0
	FURAN
SUBSTRUCTURE
5 0
5 1 4 O 1 0 1 0 0
4 3 3 5 C 1 0 1 0 0
3 4 4 2 C 1 0 1 0 0
2 1 1 3 C 1 0 1 0 0
1 2 2 5 C 1 0 1 0 0
	VINYL-ME
SUBSTRUCTURE
3 0
3 2 2 C 1 0 1 0 0
2 3 3 1 C 1 0 1 0 0
1 2 C 3 3 1 0 0
	CARBONYL
SUBSTRUCTURE
2 0
2 1 1 O 1 0 1 0 0
1 2 2 C 1 0 1 0 0
	UNSATEPOXIDE
SUBSTRUCTURE
3 0
3 1 2 2 C 1 0 1 0 0
2 3 3 1 C 1 0 1 0 0
1 3 2 O 1 0 1 0 0
	CYCLOPROPANES
SUBSTRUCTURE
3 0
3 1 2 C 1 0 1 0 0
2 3 1 C 1 0 1 0 0
1 3 2 C 1 0 1 0 0
	CYCLOBUTANES
SUBSTRUCTURE
4 0
4 1 3 C 1 0 1 0 0
3 4 2 C 1 0 1 0 0
2 3 1 C 1 0 1 0 0
1 4 2 C 1 0 1 0 0
	THREE-MEM-RINGS
SUBSTRUCTURE
3 3
3 1 3 2 2 1 
3 1 2 X 1 0 1 0 0
2 3 1 X 1 0 1 0 0
1 3 2 X 1 0 1 0 0
	FOUR-MEM-RINGS
SUBSTRUCTURE
4 4
4 1 4 3 3 2 2 1 
4 1 3 X 1 0 1 0 0
3 4 2 X 1 0 1 0 0
2 3 1 X 1 0 1 0 0
1 4 2 X 1 0 1 0 0
	EDGEFUSED-3-3-RINGS
SUBSTRUCTURE
4 5
4 2 4 1 4 3 3 2 2 1 
4 2 1 3 X 1 0 1 0 0
3 4 2 X 1 0 1 0 0
2 4 3 1 X 1 0 1 0 0
1 4 2 X 1 0 1 0 0
	EDGEFUSED-3-4-RINGS
SUBSTRUCTURE
5 6
5 1 5 4 4 3 3 1 3 2 2 1 
5 1 4 X 1 0 1 0 0
4 5 3 X 1 0 1 0 0
3 4 1 2 X 1 0 1 0 0
2 3 1 X 1 0 1 0 0
1 5 3 2 X 1 0 1 0 0
	EDGEFUSED-4-4-RINGS
SUBSTRUCTURE
6 7
6 1 6 5 5 4 4 1 4 3 3 2 2 1 
6 1 5 X 1 0 1 0 0
5 6 4 X 1 0 1 0 0
4 5 1 3 X 1 0 1 0 0
3 4 2 X 1 0 1 0 0
2 3 1 X 1 0 1 0 0
1 6 4 2 X 1 0 1 0 0
	BICYCLO-111-RINGS
SUBSTRUCTURE
5 6
5 3 5 1 4 3 4 1 3 2 2 1 
5 3 1 X 1 0 1 0 0
4 3 1 X 1 0 1 0 0
3 5 4 2 X 1 0 1 0 0
2 3 1 X 1 0 1 0 0
1 5 4 2 X 1 0 1 0 0
	BICYCLO-211-RINGS
SUBSTRUCTURE
6 7
6 1 6 5 5 3 4 3 4 1 3 2 2 1 
6 1 5 X 1 0 1 0 0
5 6 3 X 1 0 1 0 0
4 3 1 X 1 0 1 0 0
3 5 4 2 X 1 0 1 0 0
2 3 1 X 1 0 1 0 0
1 6 4 2 X 1 0 1 0 0
	BICYCLO-221-RINGS
SUBSTRUCTURE
7 8
7 4 7 1 6 1 6 5 5 3 4 3 3 2 2 1 
7 4 1 X 1 0 1 0 0
6 1 5 X 1 0 1 0 0
5 6 3 X 1 0 1 0 0
4 7 3 X 1 0 1 0 0
3 5 4 2 X 1 0 1 0 0
2 3 1 X 1 0 1 0 0
1 7 6 2 X 1 0 1 0 0
	BICYCLO-222-RINGS
SUBSTRUCTURE
8 9
8 2 8 1 4 3 7 4 7 1 6 1 6 5 5 3 3 2 
8 2 1 X 1 0 1 0 0
7 4 1 X 1 0 1 0 0
6 1 5 X 1 0 1 0 0
5 6 3 X 1 0 1 0 0
4 3 7 X 1 0 1 0 0
3 4 5 2 X 1 0 1 0 0
2 8 3 X 1 0 1 0 0
1 8 7 6 X 1 0 1 0 0
	1-ATOM-PARABRIDGE
SUBSTRUCTURE
7 0
7 4 1 X 1 0 1 0 0
6 1 5 5 C 1 0 1 0 0
5 6 6 4 C 1 0 1 0 0
4 7 5 3 3 C 1 0 1 0 0
3 4 4 2 C 1 0 1 0 0
2 3 1 1 C 1 0 1 0 0
1 7 6 2 2 C 1 0 1 0 0
	2-ATOM-PARABRIDGE
SUBSTRUCTURE
8 1
8 7 
8 7 4 X 1 0 1 0 0
7 8 1 X 1 0 1 0 0
6 1 5 5 C 1 0 1 0 0
5 6 6 4 C 1 0 1 0 0
4 8 5 3 3 C 1 0 1 0 0
3 4 4 2 C 1 0 1 0 0
2 3 1 1 C 1 0 1 0 0
1 7 6 2 2 C 1 0 1 0 0
	3-ATOM-PARABRIDGE
SUBSTRUCTURE
9 2
9 8 8 7 
9 8 4 X 1 0 1 0 0
8 9 7 X 1 0 1 0 0
7 8 1 X 1 0 1 0 0
6 1 5 5 C 1 0 1 0 0
5 6 6 4 C 1 0 1 0 0
4 9 5 3 3 C 1 0 1 0 0
3 4 4 2 C 1 0 1 0 0
2 3 1 1 C 1 0 1 0 0
1 7 6 2 2 C 1 0 1 0 0
	4-ATOM-PARABRIDGE
SUBSTRUCTURE
10 3
10 9 9 8 8 7 
10 9 4 X 1 0 1 0 0
9 10 8 X 1 0 1 0 0
8 9 7 X 1 0 1 0 0
7 8 1 X 1 0 1 0 0
6 1 5 5 C 1 0 1 0 0
5 6 6 4 C 1 0 1 0 0
4 10 5 3 3 C 1 0 1 0 0
3 4 4 2 C 1 0 1 0 0
2 3 1 1 C 1 0 1 0 0
1 7 6 2 2 C 1 0 1 0 0
	5-ATOM-PARABRIDGE
SUBSTRUCTURE
11 4
11 10 10 9 9 8 8 7 
11 10 4 X 1 0 1 0 0
10 11 9 X 1 0 1 0 0
9 10 8 X 1 0 1 0 0
8 9 7 X 1 0 1 0 0
7 8 1 X 1 0 1 0 0
6 1 5 5 C 1 0 1 0 0
5 6 6 4 C 1 0 1 0 0
4 11 5 3 3 C 1 0 1 0 0
3 4 4 2 C 1 0 1 0 0
2 3 1 1 C 1 0 1 0 0
1 7 6 2 2 C 1 0 1 0 0
	6-ATOM-PARABRIDGE
SUBSTRUCTURE
12 5
12 11 11 10 10 9 9 8 8 7 
12 11 4 X 1 0 1 0 0
11 12 10 X 1 0 1 0 0
10 11 9 X 1 0 1 0 0
9 10 8 X 1 0 1 0 0
8 9 7 X 1 0 1 0 0
7 8 1 X 1 0 1 0 0
6 1 5 5 C 1 0 1 0 0
5 6 6 4 C 1 0 1 0 0
4 12 5 3 3 C 1 0 1 0 0
3 4 4 2 C 1 0 1 0 0
2 3 1 1 C 1 0 1 0 0
1 7 6 2 2 C 1 0 1 0 0
	1-ATOM-METABRIDGE
SUBSTRUCTURE
7 0
7 2 4 X 1 0 1 0 0
6 1 5 5 C 1 0 1 0 0
5 6 6 4 C 1 0 1 0 0
4 7 5 3 3 C 1 0 1 0 0
3 4 4 2 C 1 0 1 0 0
2 7 3 1 1 C 1 0 1 0 0
1 6 2 2 C 1 0 1 0 0
	2-ATOM-METABRIDGE
SUBSTRUCTURE
8 1
8 7 
8 7 4 X 1 0 1 0 0
7 2 8 X 1 0 1 0 0
6 1 5 5 C 1 0 1 0 0
5 6 6 4 C 1 0 1 0 0
4 8 5 3 3 C 1 0 1 0 0
3 4 4 2 C 1 0 1 0 0
2 7 3 1 1 C 1 0 1 0 0
1 6 2 2 C 1 0 1 0 0
	3-ATOM-METABRIDGE
SUBSTRUCTURE
9 2
9 8 8 7 
9 8 4 X 1 0 1 0 0
8 9 7 X 1 0 1 0 0
7 2 8 X 1 0 1 0 0
6 1 5 5 C 1 0 1 0 0
5 6 6 4 C 1 0 1 0 0
4 9 5 3 3 C 1 0 1 0 0
3 4 4 2 C 1 0 1 0 0
2 7 3 1 1 C 1 0 1 0 0
1 6 2 2 C 1 0 1 0 0
	4-ATOM-METABRIDGE
SUBSTRUCTURE
10 3
10 9 9 8 8 7 
10 9 4 X 1 0 1 0 0
9 10 8 X 1 0 1 0 0
8 9 7 X 1 0 1 0 0
7 2 8 X 1 0 1 0 0
6 1 5 5 C 1 0 1 0 0
5 6 6 4 C 1 0 1 0 0
4 10 5 3 3 C 1 0 1 0 0
3 4 4 2 C 1 0 1 0 0
2 7 3 1 1 C 1 0 1 0 0
1 6 2 2 C 1 0 1 0 0
	5-ATOM-METABRIDGE
SUBSTRUCTURE
11 4
11 10 10 9 9 8 8 7 
11 10 4 X 1 0 1 0 0
10 11 9 X 1 0 1 0 0
9 10 8 X 1 0 1 0 0
8 9 7 X 1 0 1 0 0
7 2 8 X 1 0 1 0 0
6 1 5 5 C 1 0 1 0 0
5 6 6 4 C 1 0 1 0 0
4 11 5 3 3 C 1 0 1 0 0
3 4 4 2 C 1 0 1 0 0
2 7 3 1 1 C 1 0 1 0 0
1 6 2 2 C 1 0 1 0 0
	6-ATOM-METABRIDGE
SUBSTRUCTURE
12 5
12 11 11 10 10 9 9 8 8 7 
12 11 4 X 1 0 1 0 0
11 12 10 X 1 0 1 0 0
10 11 9 X 1 0 1 0 0
9 10 8 X 1 0 1 0 0
8 9 7 X 1 0 1 0 0
7 2 8 X 1 0 1 0 0
6 1 5 5 C 1 0 1 0 0
5 6 6 4 C 1 0 1 0 0
4 12 5 3 3 C 1 0 1 0 0
3 4 4 2 C 1 0 1 0 0
2 7 3 1 1 C 1 0 1 0 0
1 6 2 2 C 1 0 1 0 0
	VINYLESTER
SUBSTRUCTURE
5 0
5 4 4 O 1 0 1 0 0
4 5 5 3 C 1 0 1 0 0
3 4 2 O 1 0 1 0 0
2 3 1 1 C 1 0 1 0 0
1 2 2 C 1 0 1 0 0
	DIVINYLETHER
SUBSTRUCTURE
5 0
5 4 4 C 1 0 1 0 0
4 5 5 3 C 1 0 1 0 0
3 4 2 O 1 0 1 0 0
2 3 1 1 C 1 0 1 0 0
1 2 2 C 1 0 1 0 0
	HYDROXYL
SUBSTRUCTURE
1 0
1 O 1 1 1 0 0
	VICDIOL
SUBSTRUCTURE
4 0
4 3 O 1 1 1 0 0
3 4 2 C 1 0 1 0 0
2 3 1 C 1 0 1 0 0
1 2 O 1 1 1 0 0
	

0 