Cactvs Toolkit Filter Summary

ShortName ShortNameAliases Description Comment Property Operator TestValues BranchMode
0neighbors neighbor0 n0 neighbour0 0neighbors 0neighbours Atom with no bonded neighbors A_NEIGHBOR_COUNT eq 0 simple
1neighbor neighbor1 1neighbors n1 neighbour1 1neighbors 1neighbours 1neighbor 1neighbour Atom with 1 bonded neighbors A_NEIGHBOR_COUNT eq 1 simple
2neighbors neighbor2 n2 neighbour2 2neighbors 2neighbours Atom with two bonded neighbors A_NEIGHBOR_COUNT eq 2 simple
3datom 3datom a3d 3da spaceatom Atom with defined 3D coordinates Atom or 3D point, so you can compute 3D properties, normally a combination of normal|3dpoint|open|epair|super|polymer bond types A_TYPE bitset 349 simple
3dplotatom plotatom3d aplot3d adisplay3d axyzok 3dplotatom 3D plotable atom Atomic 3D coordinates are defined A_XYZ not 3:123456.0 simple
3dplotbond plotbond3d bplot3d bdisplay3d bxyzok 3dplotbond 3D plotable bond None of the 3D coordinates of the atoms are undefined A_XYZ not 3:123456.0 allatoms
3dpoint 3dpoint nics 3D point pseudo-atom 3D point, not normal atom A_TYPE eq 3dpoint simple
3neighbors neighbor3 n3 neighbour3 3neighbors 3neighbours Atom with 3 bonded neighbors A_NEIGHBOR_COUNT eq 3 simple
4neighbors neighbor4 n4 neighbour4 4neighbors 4neighbours Atom with 4 bonded neighbors A_NEIGHBOR_COUNT eq 4 simple
5neighbors neighbor5 n5 neighbour5 5neighbors 5neighbours Atom with 5 bonded neighbors A_NEIGHBOR_COUNT eq 5 simple
6neighbors neighbor6 n6 neighbour6 6neighbors 6neighbours Atom with 6 bonded neighbors A_NEIGHBOR_COUNT eq 6 simple
7neighbors neighbor7 n7 neighbour7 7neighbors 7neighbours Atom with 7 bonded neighbors A_NEIGHBOR_COUNT eq 7 simple
8neighbors neighbor8 n8 neighbour8 8neighbors 8neighbours Atom with 8 bonded neighbors A_NEIGHBOR_COUNT eq 8 simple
9neighbors neighbor9 n9 neighbour9 9neighbors 9neighbours Atom with 9 bonded neighbors A_NEIGHBOR_COUNT eq 9 simple
10neighbors neighbor10 n10 neighbour10 10neighbors 10neighbours Atom with 10 bonded neighbors A_NEIGHBOR_COUNT eq 10 simple
11neighbors neighbor11 n11 neighbour11 11neighbors 11neighbours Atom with 11 bonded neighbors A_NEIGHBOR_COUNT eq 11 simple
12neighbors neighbor12 n12 neighbour12 12neighbors 12neighbours Atom with 12 bonded neighbors A_NEIGHBOR_COUNT eq 12 simple
acidicatom acidicatom acidica hacidic acidic aacidic Acidic hydrogen Acidic hydrogen A_HYDROGEN_BONDING eq acidic simple
acspecial acspecial cspecial specialc aspecialc Special (symbol-drawn) carbon Hydrogen atoms usually drawn in plots A_CSPECIAL not 0 simple
ahspecial ahspecial hspecial specialh aspecialh Special (symbol-drawn) hydrogen Hydrogen atoms usually drawn in plots A_HSPECIAL not 0 simple
ametal ametal metal metalatom metala ismetal Metal Atom A_ISMETAL eq 1 simple
anion anion aanion Anionic atom Atom with negative formal charge A_FORMAL_CHARGE lt 0 simple
anyatom anyatom anya *any* query atom Query specification 'any' atom A_QUERY(type) eq any simple
aopen attachmentpoint aopen openatom attachatom attacha Attachment point Isolate pseudo atoms which are attachment points or open valences A_TYPE eq open simple
apicenter apicenter picenter picenteratom picentera Pi center atom Atom with pi electrons A_PICENTER gt 0 simple
aradical radical radicalatom aradical Radical center atom Radical atom center A_RADICAL not no simple
aroatom aroatom aroat aroa aaromatic Aromatic atom Atom is in aromatic ring A_ARORING_COUNT gt 0 simple
arobond arobond arobd arob baromatic Aromatic bond Bond is in aromatic ring B_ARORING_COUNT gt 0 simple
aroring aroring aromat aro aromatic Aromatic ring Aromatic ring R_AROMATIC eq 1 simple
aroringsystem aroringsystem aroringsys Aromatic ringsystem Ringsystem is fully aromatic Y_AROMATIC eq full simple
arotautobond arotautobond barotauto arotautomeric arotautobd Extended tautomeric bond Arotautomeric bond B_ISAROTAUTOMERIC gt 0 simple
arrowbond arrowbond arrowbd arrow Arrow bond Bond is marked with an arrow B_FLAGS bitset lowarrow|higharrow simple
asidechain asidechain sidechainatom sidechaina sidechain chainatom chaina Sidechain atom Sidechain atom A_FRAMEWORK eq 1 simple
astereogenic astereogenic pstereoatom apossstereo stereogenicatom stereogenica Stereogenic atom Atom is a possible stereo center A_STEREOGENIC neither no checkno simple
aunmapped aunmapped unmapped unmappedatom Unmapped atom Atom which is not mapped in a reaction A_MAPPING le 0 simple
aunsub unsubatom unsuba aunsub Unsubstituted atom Unsubstituted (no hetero atom ligands) atom A_HETERO_SUBSTITUENT_COUNT eq 0 simple
basicatom basicatom basica basic abasic Basic atom Basic (opposite of acidic) atom A_HYDROGEN_BONDING eq basic simple
bondangle bondangle anglebond anglebd angle bangle dihedral Bond angle atom triplet For storage of bond angles B_TYPE eq dihedral simple
bondtorsion torsion torsionbond torsionbd torsion btorsion Torsional angle atom quartet For storage of torsion angles B_TYPE eq torsion simple
boronatom boron b Auto-generated element filter Classic boron atom A_ELEMENT eq 5 simple
boxedatom boxedatom boxatom box boxed boxeda boxa Boxed atom Atom marked with box A_FLAGS bitset boxed simple
bromineatom bromine br Auto-generated element filter Classic bromine atom A_ELEMENT eq 35 simple
bstereogenic bstereogenic pstereobond bpossstereo stereogenicbond stereogenicbd Stereogenic bond Bond is a possible diastereomeric bond B_STEREOGENIC neither no checkno simple
carbocycle carbocycle cring ccyle Carbocycle Ring without hetero atoms A_ELEMENT eq 6 allatoms
carbonatom carbon c Auto-generated element filter Classic carbon atom A_ELEMENT eq 6 simple
cation cation acation Cationic atom Atom with positive formal charge A_FORMAL_CHARGE gt 0 simple
cbond cbond withc cb cbd Bond with one or more C atoms Bond with one or more carbon atoms A_ELEMENT eq 6 someatoms
ccbond ccbond ccb ccbd cc carboncarbonbond Carbon-carbon bond A_ELEMENT eq 6 allatoms
chalcogen chalcogen chalcogenatom chalcogena Chalcogen atom A_IUPAC_GROUP eq 16 simple
chargedatom chargedatom charged chrg achrg acharge chargeda acharged Charged atom Atom with formal charge A_FORMAL_CHARGE not 0 simple
chbond chbond chb chbd ch Carbon-hydrogen bond A_ELEMENT alternative 6 1 differentatoms
chlorineatom chlorine cl Auto-generated element filter Classic chlorine atom A_ELEMENT eq 17 simple
classicatom classicatom classica aclassic anormal atom anorm normal Classic elemental atom A_TYPE eq normal simple
classicbond classicbond bclassic bnormal vbbond Classic valence bond B_TYPE eq normal simple
classicmol classicmol mclassic molclassic Classic molecule Molecile only contains classic elemental atoms M_ATOM_RANGE gt 0 simple
classicring classicring rclassic rnormal rnorm Classic ring Ring which contains only classic atoms A_TYPE eq normal allatoms
cneighbor cneighbor carbonbonded cbonded cligand cneighbour Atom with carbon ligand Atom bonded to one or more carbon atoms A_ELEMENT eq 6 someneighbors
complexbond complexbond complexbd complexb bcomplex Complex bond Complex (non-VB) bond B_TYPE eq complex simple
crossedbond crossedbond bcrossed crossed Crossed bond Crossed (graphically drawn, indicating lack of bond stereo definition) bond B_FLAGS bitset crossed simple
cxbond cxbond chetero cxbd cxb cx Carbon-hetero bond A_ELEMENT not 1 6 differentatoms
dashbond dashbond stippledbond stipplebond dashbd dashed dashedbd stippledbd stipplebd Dashed/dotted bond Bond is drawn in dashed or dotted style B_FLAGS bitset dotted|dashed simple
doublebond doublebond dbond dbd db Double bond Classic VB double bond B_ORDER eq 2 simple
edgebond edgebond edgebd edge Edge bond Bond is displayed B_FLAGS bitset edge simple
envelopering envelopering envelope envring Envelope ring Envelope ring R_TYPE bitset envelope simple
epairatom epairatom featom epaira epa epatom Electronpair atom Atom with one or more free electron pairs A_FREE_ELECTRONS ge 2 simple
esssrring xsssrring xsssr esssrring esssr triplering ESSSR ring ESSSR ring R_TYPE bitset esssr simple
flagbond flagbond flagbd Bond with display flags Bond has some display flags set B_FLAGS gt 0 simple
fluorineatom fluorine f Auto-generated element filter Classic fluorine atom A_ELEMENT eq 9 simple
h0atom h0atom h0 h0a hydrogen0 0hydrogens Atom without hydrogens Atom with no bonded hydrogens A_HCOUNT eq 0 simple
h1atom h1atom h1 h1a hydrogen1 1hydrogen Atom with 1 hydrogen Atom with 1 hydrogen A_HCOUNT eq 1 simple
h2atom h2atom h2 h2a hydrogen2 2hydrogens Atom with 2 hydrogens Atom with 2 hydrogens A_HCOUNT eq 2 simple
h3atom h3atom h3 h3a hydrogen3 3hydrogens Atom with 3 hydrogens Atom with 3 hydrogens A_HCOUNT eq 3 simple
hacceptoratom hacceptoratom hacceptor hydrogenacceptor Hydrogen acceptor atom Hydrogen acceptor (or basic site) A_HYDROGEN_BONDING alternative acceptor basic simple
halogen halogen halogenatom halogena Halogen atom Halogen atom (F,Cl,Br,I,At) A_IUPAC_GROUP eq 17 simple
hbond hbond withh hb hbd Bond with one more more H atoms Bond with one or more hydrogen atoms A_ELEMENT eq 1 someatoms
hdonoratom hdonoratom hdonor hydrogendonor Hydrogen donor atom Hydrogen donor (or acidic site) A_HYDROGEN_BONDING alternative donor acidic someneighbors
heteroatom heteroatom hetero x het hetatom xatom Hetero atom A_ELEMENT neither 1 6 simple
heterocycle heterocycle xring hetero rhetero Heterocycle Ring with hetero atoms R_HETEROATOM_COUNT gt 0 simple
highlightatom highlightatom highlight highlighta ahighlight Highlighted atom Atom with the 'highlight' bit set in A_FLAGS A_FLAGS bitset highlight simple
highlightbond highlightbond highlightbd bhighlight Highlighted bond Bond with the 'highlight' bit set in B_FLAGS B_FLAGS bitset highlight simple
hneighbor hneighbor hydrogenbonded hbonded hligand hneighbour Atom with hydrogen ligand Atom bonded to one or more hydrogen atoms A_ELEMENT eq 1 someneighbors
hxbond hxbond xhbond hhetero hxb hxbd hx Hydrogen-hetero bond A_ELEMENT not 6 1 differentatoms
hydrogenatom hydrogen h Auto-generated element filter Classic hydrogen atom A_ELEMENT eq 1 simple
interferingatom interferingatom interfering interferinga Interfering atom Atom with the 'interfering' bit set in A_FLAGS A_FLAGS bitset interfering simple
iodineatom iodine i Auto-generated element filter Classic iodine atom A_ELEMENT eq 53 simple
ionicbond ionicbond ionicbd ionicb bionic Ionic bond Ionic (non-VB) bond B_TYPE eq ionic simple
isotopeatom isotopeatom isotope isoatom aisotope Isotope-labelled atom Isotopically labelled atom A_ISOTOPE gt 0 simple
kring kring k K ring K ring R_TYPE bitset k simple
largering largering r8+ Large (size >7) ring R_SIZE gt 7 simple
lhasapathatom lhasapathatom lhasapatha Lhasa path atom A_LHASA_PATH_LABEL ge 1 simple
listatom listatom list alist lista atomlist elementlist Query element list pseudo-atom Query atoms which are an element list A_QUERY(type) eq list simple
macrocycle macrocycle hugering r12+ Macrocycle (size >11) R_SIZE ge 12 simple
magent magent Reaction agent molecule Molecule acts as agent in reaction as per M_REACTION_ROLE M_REACTION_ROLE eq agent simple
mappedatom mappedatom Atom has a valid (non-zero) A_MAPPING value A_MAPPING not 0 simple
mbyproduct mbyproduct Reaction byproduct molecule Molecule acts as byproduct in reaction as per M_REACTION_ROLE M_REACTION_ROLE eq byproduct simple
mcatalyst mcatalyst Reaction catalyst molecule Molecule acts as catalyst in reaction as per M_REACTION_ROLE M_REACTION_ROLE eq catalyst simple
mediumring mediumring r567 Medium (size 5-7) ring Medium (size 5-7) ring R_SIZE range 5 7 simple
mimpurity mimpurity Reaction impurity molecule Molecule acts as impurity in reaction as per M_REACTION_ROLE M_REACTION_ROLE eq impurity simple
minorganic minorganic inorganic anorganic Inorganic molecule Molecule is inorganic as per M_ORGANIC definition M_ORGANIC eq 0 simple
mintermediate mintermediate Reaction intermediate molecule Molecule acts as intermediate in reaction as per M_REACTION_ROLE M_REACTION_ROLE eq intermediate simple
morganic morganic organic Organic molecule Molecule is organic as per M_ORGANIC definition M_ORGANIC eq 1 simple
mproduct mproduct Product molecule Molecule acts as product in reaction as per M_REACTION_ROLE M_REACTION_ROLE eq product simple
mreagent mreagent meduct mreactant Reagent molecule Molecule acts as reagent in reaction as per M_REACTION_ROLE M_REACTION_ROLE eq reagent simple
msolvent msolvent Solvent molecule Molecule acts as solvent in reaction as per M_REACTION_ROLE M_REACTION_ROLE eq solvent simple
multibond multibond multiplebond mbd mbond mb Multiple bond Classic VB multiple bond B_ORDER gt 1 simple
multiringatom multiringatom multiringa fusedringatom fusedringa Multiring atom Atom is member of 2 or more fused ESSSR rings A_RING_COUNT gt 1 simple
multiringbond multiringbond multiringb bmultiring multiringbd Multi-ringbond Bond is member of two or more rings B_RING_COUNT gt 1 simple
multiringsystem multiringsystem multiringsys Multi-ring ringsystem Ringsystem contains more than one ring Y_RING_COUNT ge 2 simple
mwaste mwaste Reaction waste molecule Molecule is waste as per M_REACTION_ROLE M_REACTION_ROLE eq waste simple
nitrogenatom nitrogen n Auto-generated element filter Classic nitrogen atom A_ELEMENT eq 7 simple
nodeatom nodeatom nodea node Atom displayed with symbol or as node Atom displayed as graph node, with or without atom symbol A_FLAGS bitset node simple
nofilter nofilter all none No filter (usable as no-effect placeholder) none simple
nomatchatom nomatchatom nomatcha excludeatom aexclude exclude Must-not-match query pseudo-atom Atom which is required not to match in a substructure query A_QUERY(flags) bitset exclude simple
openatom openatom opena open *open* pseudo/query atom 'open' pseudo atom A_TYPE eq open simple
openvalenceatom openvalenceatom openvalencea openvalences openvalence Atom with open valences A_HYDROGENS_NEEDED gt 0 simple
oxygenatom oxygen o Auto-generated element filter Classic oxygen atom A_ELEMENT eq 8 simple
participatingatom participatingatom participating aparticiptating participatinga Participating atom Atom with the 'participating' bit set in A_FLAGS A_FLAGS bitset participating simple
phosphorusatom phosphorus p phosphor Auto-generated element filter Classic phosphorus atom A_ELEMENT eq 15 simple
plotatom plotatom plota aplot adisplay axyok 2D-plotable atom 2D coordinates are not undefined A_XY not 123456.0 simple
plotbond plotbond plotbd bplot bdisplay bxyok 2D-plotable bond None of the 2D coordinates of the bond atoms are undefined A_XY not 123456.0 allatoms
pnicogen pnicogen pnicogenatom pnicogena Pnicogen atom A_IUPAC_GROUP eq 15 simple
protectedatom protectedatom protected protecteda Protected atom Atom with the 'protected' bit set in A_FLAGS A_FLAGS bitset protected simple
queryatom searchatom queryatom asearch aquery querya Query specification atom A_TYPE eq query simple
querytreeatom querytreeatom querytreea aquerytree Atom with attribute query tree Atoms with a query tree in A_QUERY A_QUERY(query) not simple
querytreebond querytreebond querytreebd querytreeb querybond querybd queryb bquery Bond with attribute query tree Bonds with a query tree B_QUERY(query) not simple
racemicatom racemicatom aracemic aracemate aracemat Racemic stereocenter Stereocenter is racemic A_RACEMATE not 2 simple
racemicbond racemicbond bracemic bracemate bracemat Racemic stereobond Stereobond is racemic B_RACEMATE not 2 simple
reactionagent agent eagent reactionagent Agent reaction role Ensemble acts as agent in reaction as per E_REACTION_ROLE E_REACTION_ROLE eq agent simple
reactionaltreagent altreagent ealtreagent reactionaltreagent Alternate reagent reaction role Ensemble is alternate reagent in reaction as per E_REACTION_ROLE E_REACTION_ROLE eq altreagent simple
reactionbyproduct byproduct ebyproduct reactionbyproduct Byproduct reaction role Ensemble acts as byproduct in reaction as per E_REACTION_ROLE E_REACTION_ROLE eq byproduct simple
reactioncatalyst catalyst ecatalyst reactioncatalyst Catalyst reaction role Ensemble acts as catalyst in reaction as per E_REACTION_ROLE E_REACTION_ROLE eq catalyst simple
reactionimpurity impurity eimpurity reactionimpurity Impurity reaction role Ensemble acts as impurity in reaction as per E_REACTION_ROLE E_REACTION_ROLE eq impurity simple
reactionintermediate intermediate eintermediate reactionintermediate Intermediate reaction role Ensemble acts as intermediate in reaction as per E_REACTION_ROLE E_REACTION_ROLE eq intermediate simple
reactionprecursor precursor eprecursor reactionprecursor Precursor reaction role Ensemble is precursor in reaction as per E_REACTION_ROLE E_REACTION_ROLE eq precursor simple
reactionproduct product eproduct reactionproduct Product reaction role Ensemble acts as product in reaction as per E_REACTION_ROLE E_REACTION_ROLE eq product simple
reactionreagent reagent educt reactant ereagent eeduct ereactant reactionreagent Reagent reaction role Ensemble acts as reagent in reaction as per E_REACTION_ROLE E_REACTION_ROLE eq reagent simple
reactionsolvent solvent esolvent reactionsolvent Solvent reaction role Ensemble acts as solvent in reaction as per E_REACTION_ROLE E_REACTION_ROLE eq solvent simple
reactionwaste waste ewaste reactionwaste Waste reaction role Ensemble is waste in reaction as per E_REACTION_ROLE E_REACTION_ROLE eq waste simple
redatom redatom reda red Red-colored atom Demo extension filter A_COLOR eq red simple
repeatatom repeatatom repeata arepeat Repeat query atom Atoms which have a repeat count for substructure matches A_QUERY(repeat) not 0 simple
rgroupanchor rgroupanchor rgroupa rganchor Rgroup anchor Pseudo-atoms which are Rgroup anchors A_QUERY(rganchor) not 0 simple
rgroupatom rgroupatom rgroupa rgatom rgroup rgmember Rgroup atom Atoms which belong to an Rgroup A_QUERY(rgmember) not 0 simple
rgroupbond rgroupbond rgroupbd rgbond brgroup RGroup bond RGroup link pseudo-bond B_TYPE eq 128 simple
ring3 ring3 size3 r3 threering 3-membered ring Ring of size 3 R_SIZE eq 3 simple
ring4 ring4 size4 r4 fourring 4-membered ring Ring of size 4 R_SIZE eq 4 simple
ring5 ring5 size5 r5 fivering 5-membered ring Ring of size 5 R_SIZE eq 5 simple
ring6 ring6 size6 r6 sixring 6-membered ring Ring of size 6 R_SIZE eq 6 simple
ring7 ring7 size7 r7 sevenring 7-membered ring Ring of size 7 R_SIZE eq 7 simple
ring8 ring8 size8 r8 eightring 8-membered ring Ring of size 8 R_SIZE eq 8 simple
ring9 ring9 size9 r9 ninering 9-membered ring Ring of size 9 R_SIZE eq 9 simple
ring10 ring10 size10 r10 tenring 10-membered ring Ring of size 10 R_SIZE eq 10 simple
ringatom ringatom aring ringa Ringatom Atom is member of one or more rings A_RING_COUNT gt 0 simple
ringbond ringbond ringb bring ringbd Ringbond Bond is member of one or more rings B_RING_COUNT gt 0 simple
ringlinkeratom aringlinker alinker ringlinkeratom linkeratom ringlinkera linkera Ring linker atom Atom is in chain connecting rings A_FRAMEWORK eq 2 simple
ringlinkerbond bringlinker blinker ringlinkerbond ringlinkerbd ringlinkerb linkerbond linkerbd linkerb Ring linker bond Bond is chain bond connecting rings B_FRAMEWORK eq 2 simple
satring satring saturated sat Saturated Ring Saturated ring containing no non-aromatic multiple bonds R_UNSATURATED eq 0 simple
selectedatom selectedatom selected selecteda aselected selectatom Selected atom Atom with the 'selected' bit set in A_FLAHS A_FLAGS bitset selected simple
selectedbond selectedbond selectedbd bselected selectbond Selected bond Bond with the 'selected' bit set in B_FLAGS B_FLAGS bitset selected simple
siliconatom silicon si Auto-generated element filter Classic silicon atom A_ELEMENT eq 14 simple
simplering simplering noenv noenvelope simple Simple ring Simple (no envelope) ring R_TYPE bitunset envelope simple
singlebond singlebond sbond sb sbd Single bond Classic VB single bond B_ORDER eq 1 simple
slashbond slashbond slashbd Slashed bond Bond is marked with vertical slash B_FLAGS bitset slash simple
smallring smallring r34 Small (size 3 or 4) ring Small (size 3-4) ring R_SIZE lt 5 simple
sp2atom sp2atom sp2a sp2 sp2-hybridized atom A_HYBRIDIZATION eq sp2 simple
sp3atom sp3atom sp3a sp3 sp3-hybridized atom A_HYBRIDIZATION eq sp3 simple
sp3sp3bond sp3sp3bond sp3sp3b sp3sp3 Bond between two sp3-hybridized atoms A_HYBRIDIZATION eq sp3 allatoms
spatom spatom spa sp sp-hybridized atom A_HYBRIDIZATION eq sp simple
spiroatom aspiro spiroatom Spiro atom A_SPIRO gt 0 simple
splitbond splitbond splitbd Split bond Bond is marked with split-indicating curl B_FLAGS bitset split simple
sssrring sssrring sssr SSSR ring SSSR ring R_TYPE bitset sssr simple
standardatom standardatom astandard standarda Classic or query specfication atom A_TYPE bitset 3 simple
starredatom starredatom asteriskatom star starred asterisk asteriska Starred atom Atom marked with asterisk A_FLAGS bitset starred simple
stereoatom stereoatom stereoat as astereo Stereo-defined atom Atom has a valid stereo descriptor A_STEREOINFO gt 0 simple
stereobond stereobond stereobd bstereo Stereo-defined bond Bond has a valid stereo descriptor B_STEREOINFO gt 0 simple
stereosphere astereosphere stereosphere Atom in 1st sphere around stereogenic atom centers First sphere of atoms around stereo center A_STEREOGENIC gt 0 someneighbors
structurebond structurebond structurebd structureb bstructure VB or complex bond VB/Complex bond B_TYPE alternative normal complex simple
sulphuratom sulphur s Auto-generated element filter Classic sulphur atom A_ELEMENT eq 16 simple
superatom superatom super satom asuper Superatom A_TYPE eq super simple
superatomsgroup superatomsgroup supersgroup Superatom group Superatom group (ususally decoded from Molfile with Sgroup data) G_TYPE eq superatom simple
symbolatom symbolatom symbola symbol Symbol atom Atom displayed with element symbol A_FLAGS bitset symbol simple
tautoatom tautoatom atauto tautoa Tautomeric atom Tautomeric atom, i.e. atom in a tauto system A_TAUTOMER_SYSTEM gt 0 simple
tautobond tautobond btauto tautomeric tautobd tautob Tautomeric bond Tautomeric bond (no aromatic systems broken) B_ISTAUTOMERIC gt 0 simple
terminalatom terminalatom termatom terma terminal aterminal terminala Terminal atom A_TERMINAL_DISTANCE eq 0 simple
terminalbond terminalbond terminalbd termbond termbd bterminal Terminal bond Bond contains one or more terminal atoms A_TERMINAL_DISTANCE eq 0 someatoms
triplebond triplebond tbond tbd tb Classic triple bond Classic VB triple bond B_ORDER eq 3 simple
unsatring unsatring insatring unsaturated insaturated Unsaturated ring Unsaturated ring containing one or more non-aromatic multiple bonds R_UNSATURATED gt 0 simple
v0atom v0atom v0 v0a valence0 Atom with valence 0 A_VALENCE eq 0 simple
v1atom v1atom v1 v1a valence1 Atom with valence 1 A_VALENCE eq 1 simple
v2atom v2atom v2 v2a valence2 Atom with valence 2 A_VALENCE eq 2 simple
v3atom v3atom v3 v3a valence3 Atom with valence 3 A_VALENCE eq 3 simple
v4atom v4atom v4 v4a valence4 Atom with valence 4 A_VALENCE eq 4 simple
v5atom v5atom v5 v5a valence5 Atom with valence 5 A_VALENCE eq 5 simple
v6atom v6atom v6 v6a valence6 Atom with valence 6 A_VALENCE eq 6 simple
v7atom v7atom v7 v7a valence7 Atom with valence 7 A_VALENCE eq 7 simple
v8atom v8atom v8 v8a valence8 Atom with valence 8 A_VALENCE eq 8 simple
varbond varbond varbd vbo varbondorder Variable bond order query bond Bond with a variable query bond order B_QUERY(order) not 0 simple
wavybond wavybond wavybd wigglybond wigglybd wavy wiggly Wavy bond Bond is drawn wavy/wiggly, indicating lack of stereochemical definition B_FLAGS bitset wavy simple
wedgebond wedgebond wedgebd wedge Wedge bond Bond is drawn as wedge B_FLAGS bitset lowwedge|highwedge simple
xbond xbond withx withhetero xb xbd heterobond Bond with one or more heteroatoms Bond with one or more hetero atoms A_ELEMENT neither 1 6 someatoms
xneighbor xneighbor heterobonded xbonded xligand xneighbour heteroligand heteroneighbor heteroneighbour Atom with hetero ligand Atom bonded to one or more hetero atoms A_ELEMENT neither 6 1 someneighbors
xunsatring xunsatring xinsatring xinsaturated xunsaturated Extended unsaturated ring Extended unsaturated ring B_ORDER gt 1 simple
xxbond xxbond xxb xxbd heterohetero xx heteroheterobond Hetero-hetero bond A_ELEMENT neither 6 1 allatoms

Generated Thu Oct 06 19:46:05 CEST 2022 for toolkit version