<datawarrior-fileinfo>
<version="3.3">
<created="1705012518985">
<rowcount="10">
</datawarrior-fileinfo>
<datawarrior macroList>
<macro name="nonH_count">
<task name="addMolecularFormula">
structureColumn=Structure
</task>
<task name="calculateCompoundProperties">
propertyList=heavyAtoms
structureColumn=Structure
</task>
<task name="addCalculatedValues">
isOverwrite=false
formula=if(NonHAtoms>10, "10+ non-H", "less than 10 non-H")
columnName=check_non-H
</task>
<task name="selectView">
viewName=Table
</task>
<task name="addCalculatedValues">
isOverwrite=true
formula=if(NonHAtoms>30, "30+ non-H", "less than 30 non-H")
columnName=check_non-H
</task>
</macro>
<macro name="metal_count">
<task name="calculateCompoundProperties">
propertyList=metalAtoms
structureColumn=Structure
</task>
<task name="addCalculatedValues">
isOverwrite=false
formula=if(MetalAtoms<2, "few metal atoms", "many metal atoms")
columnName=check_Metal-Atoms
</task>
</macro>
<macro name="count_no_space">
<task name="calculateCompoundProperties">
propertyList=closures
structureColumn=Structure
</task>
<task name="addCalculatedValues">
isOverwrite=false
formula=if(RingsClosures>2, "more than two", "less than two")
columnName=test_01
</task>
<task name="selectView">
viewName=Table
</task>
</macro>
</datawarrior macroList>
<column properties>
<columnName="Structure">
<columnProperty="specialType	idcode">
<columnName="FragFp">
<columnProperty="parent	Structure">
<columnProperty="specialType	FragFp">
<columnProperty="version	1.2.1">
<columnName="Non-H Atoms">
<columnProperty="compoundProperty	heavyAtoms@Structure">
<columnName="check_non-H">
<columnProperty="formula	if(NonHAtoms>30, "30+ non-H", "less than 30 non-H")">
<columnName="Metal-Atoms">
<columnProperty="compoundProperty	metalAtoms@Structure">
<columnName="check_Metal-Atoms">
<columnProperty="formula	if(MetalAtoms<2, "few metal atoms", "many metal atoms")">
<columnName="Rings Closures">
<columnProperty="compoundProperty	closures@Structure">
<columnName="test_01">
<columnProperty="formula	if(RingsClosures>2, "more than two", "less than two")">
</column properties>
FragFp	Structure	Molecular Formula	Non-H Atoms	check_non-H	Metal-Atoms	check_Metal-Atoms	Rings Closures	test_01
zpzpr_QStk4RKG0DTS8K2N2eV1!B3ZX02n210c41FZ862VV0310WV4L0N1F0310g10X0Vc6C0V0F!4J0X8G0	eg`TFH@CBkGHdfe`ICHhheEhUEdhTihhlpIHh]]@@@TsSTpP@@@@	C21H15N2O6F	30	less than 30 non-H	0	few metal atoms	3	more than two
;xrgOUfm5w73DjSR8_HO0P4g2493964LuVC2gF290C6VWV62pVJXG690W89ElFgdG8VVX45V84_GJ61Ha0I0	fgQH@LK@cdRuz^yPdHdIBPdXdHdIdHbHJI@VyfuTpAPPLTTp@@@	C19H18N2O9	30	less than 30 non-H	0	few metal atoms	2	less than two
ywspFZNG8V4F4024FN05VN2H!F!39X0HIV58!1Gk960W$VC2KLV0989@k0V10224c240204!F4N#V	eolPL@@@OJldTTTlRbRRVTrQbRHhtL\bBrn^jV@@BbjZ`@`P@@	C28H24O3	31	30+ non-H	0	few metal atoms	5	more than two
zwzlLWOKdk4N0J2iRN0G0N2H#183228HnX1#3FV960WV021V10Kq18088@F0c3!24c2!8040404FXVG0	flyQR@KIHkQo@bLbbbRbreTrXJBBJffl@@	C11H9N2O5Cl	19	less than 30 non-H	0	few metal atoms	1	less than two
zxzrrbzCtvJTM16gySc_2N2vklN0N@5V6HIVKAVF3Vq961VVFXcFBV1JGF185UnFc102AZgLB#F60490a0IV	e`\RN@@AOIc`NGEmkgdfYY_VYU^VVVIDljncofiYjjPhHiifR@`xP	C21H16N4O7	32	30+ non-H	0	few metal atoms	4	more than two
jLul609M0F5k01@5GN0W0N0X040411#LuV50V808096cVV02G$4!V816l0V1F8VVX4c$1J4127030	fcaR@NPQ`LPAFRRVJIQIQQIHiYZQlmjM^uhHJ@F@@@@@@@	C21H15NO5S	28	less than 30 non-H	0	few metal atoms	4	more than two
?pxzZob1EaHyVZVRHL5Z0F9Y9X7F3Vn86FINk9!I01@105012_GdVBmH!849208L4V858!H0Na0IF	fakPp@Hm@bbZ}rJYQJIQIQKHqV|FIVmUPQDEADQ@b@@	C16H18N2O6	24	less than 30 non-H	0	few metal atoms	3	more than two
<5gsK9i4B417yP8k5XN0P3VF093A302HVK8aFIWk060120c0V92GDd0c099YF0A120Bs60V@54!54O68YV	eodXLD@MJie`HabPrJIJKIPjJIIIKQERcaPqKIhZ@H@b@`jijhA@@@	C25H23NO3ClF	31	30+ non-H	0	few metal atoms	4	more than two
oPuL4L018!k#4GN01VB0H040F021!HH048!18F96!V$42!WF981@FF80J8e4c24#10F218201F	fnk`P@D`uynQQQJJYIFKJHlyHs`yjtCAIU@QPDKH@	C18H13NO4	23	less than 30 non-H	0	few metal atoms	4	more than two
zxzrr_OSdm4R7G6DyR8_2N2u0VF093824LnV5@@J3Fk960WV0X_V9VKLONW99Qk0c91234cJ50@5J0401Pa8IV	ebVTAD@CObIMCkghTPIAbPrJJJIPqYIFKQQJJZMS\JN^S[PQEDuTtADLttHAAE@	C24H20N2O8F2	36	30+ non-H	0	few metal atoms	3	more than two
<datawarrior properties>
<columnFilter_Table="">
<columnWidth_Table_Metal-Atoms="80">
<columnWidth_Table_Molecular Formula="80">
<columnWidth_Table_Non-H Atoms="80">
<columnWidth_Table_Rings Closures="80">
<columnWidth_Table_Structure="100">
<columnWidth_Table_check_Metal-Atoms="80">
<columnWidth_Table_check_non-H="80">
<columnWidth_Table_test_01="80">
<detailView="height[Data]=0.5;height[Structure]=0.5">
<filter0="#category#	Molecular Formula">
<filter1="#double#	Non-H Atoms">
<filter2="#string#	check_non-H">
<filter3="#string#	check_Metal-Atoms">
<filter4="#double#	Rings Closures">
<filter5="#category#	test_01">
<filterAnimation1="state=stopped low2=80% high1=20% time=10">
<filterAnimation4="state=stopped low2=80% high1=20% time=10">
<headerLines_Table="2">
<mainSplitting="0.7071">
<mainView="Table">
<mainViewCount="1">
<mainViewDockInfo0="root">
<mainViewName0="Table">
<mainViewType0="tableView">
<rightSplitting="0.64224">
<rowHeight_Table="80">
</datawarrior properties>
