Export Compatibility

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Because query properties are only useful in a chemical database, you must transfer your structures from ChemDraw into your search system. Not all file formats support the same query properties and not all chemical databases support the same file formats. Consult the documentation for your database to see which file formats are supported.

The following table lists the query properties that ChemDraw writes to ISIS (SKC, TGF, and Clipboard) file formats. All query properties are written to the ChemDraw (CDX) file format. CDX is the preferred format to use to retain all query properties in a drawing.

Exported Query Properties	ISIS	Mol	Rxn
Atom Properties
Substituents
Unspecified	X	X	X
Free Sites	b	b	b
Up to	a	a	a
Exactly	Xc	Xc	Xc
Implicit Hydrogens
Not allowed	X	X	X
Allowed	X	X	X
Ring Bond Count
Any	X	X	X
No ring bonds	X	X	X
As drawn	X	X	X
Simple ring	X	X	X
Fusion	X	X	X
Spiro or higher	X	X	X
Unsaturation
Unspecified	X	X	X
Must be absent
Must be present	X	X	X
Reaction Change
May be anything	X		X
Must be as specified	X		X
Reaction Stereo
Any	X		X
Inversion	X		X
Retention	X		X
Translation
Equal
Broad
Any
Narrow
Abnormal Valence
Not Allowed	X	X	X
Allowed	X	X	X
Bond Properties
Bond Type
Single	X	X	X
Dashed	X	X	X
Hashed	d	d	d
Wedged Hashed	X	X	X
Bold	X	e	e
Wedged	X	X	X
Wavy	X	X	X
Hollow Wedged	e	e	e
Dative	f	f	f
Double	Xg	Xg	Xg
Double Either	X	X	X
Double Bold	h	h	h
Aromatic	X	X	X
Tautomeric	i	i	i
Triple	X	X	X
Quadruple	l	l	l
Any	X	X	X
S/D	X	X	X
D/A	X	X	X
S/A	X	X	X
Topology
Unspecified	X	X	X
Ring	X	X	X
Chain	X	X	X
Reaction Center
Unspecified	X		X
Center	X		X
Make/Break	X		X
Change	X		X
Make&Change	X		X
Not Center	X		X
Other Query Attributes
Generic Nicknames	Xj	Xj	Xj
Element Lists	Xko	Xko	Xko
Element Not-Lists	Xk	Xk	Xk
Alternative Groups	X	Xm
Anonymous Alternative Groups	n	n
Link Nodes	p	p	p
Bracket properties	X	X	X
Atom-Atom mapping	X		X
Variable Attachment Positions
3D query properties

^a Converted to the appropriate number of exact substituents

^b Free Sites counts of zero translated to "Substitution as drawn"; all other Free Sites values written as substitution counts equal to the total current valence plus the free sites value.

^c Substituent counts of greater than 5 are translated to "6 or more"

^d Converted to Wedged Hashed

^e Converted to Wedged

^f Converted to a Single, with a positive charge applied to that atom at the base of the dative bond and a negative charge applied to the atom at the point of the dative bond

^g Interpreted by ISIS as unspecified cis/trans stereochemistry

^hConverted to Double

ⁱ Converted to S/D

^j Only M, X, Q, A; others written as aliases

^k Truncated to the first 5 elements

^l Converted to single.

^m An RGFile will be created automatically.

ⁿ Converted to non-anonymous alternative groups.

^o Lists of greater than 5 elements converted to alternative groups.

^p The low end of the repeat range is always treated as 1.