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 3.4.8.22