L$ ?Ld@LYzIp @L @LMb@ L Tt<"@L 7&@L (@LR,@LRLse/@#LzZ2@(L>?3@Lڏa6@ L\(7@ LA4F:@L};@LjhwH>@L [?@L##]|A@L((V/C@L''ޓZ{C@L((z6C@ L--EB[zF@ L00!lVG@L33]hxI@L44MbI@L77xK@M88䃞ͪK@M;;HPswM@M;:rL@ M@?I.!vO@MA@IO@MFE^K=;Q@MIJ zR@MKKK=fR@MOP' AS@MPOƺS@ MTTuVT@#MUUcZ:U@&MXX}гYU@ )MYYK89V@ +M[Z=,ԚyV@.M]] F%u:W@1M`bsyX@4MbbzX@7Mefvq yY@:MggˡEY@=MjjyZ@@Mlk(Z@CMpr6;Ny\@FMssbٹ\@IMwx]@LMzy9^@OMTt$<`@RMS_@TM c|`@WM'UH`@ZMۊeyX5b@lM3ı.nb@oMh"lxzc@rM8c@uMQkwc@xM/n}d@{Moŝd@~MoŽd@M&P6e@MFx e@Mue@MLJ~f@ MHVf@MOnf@M^g@MT㥛g@M0*h@M?^h@M<h@M"aK?i@MH.i@M,D@i@MjjZ_j@Moj@M6/"/'/@ $vr!!h"h" d'@B^ ZV Rr Molfile is invalid.Unrecognized bond stereoUnknown bond type in MOLfile assigned as a single bondAtom has more than 3 aromatic bondsProgram error interpreting MOLfileStructure #InChISDfile OutputMOLFILENAMEMOLFILELINE2MOLFILECOMMENTUnknown errorCannot read counts lineToo long counts lineCannot interpret counts line:Cannot read atom block lineToo long atom block line$$$$Cannot interpret atom block line:Cannot read bond block lineCannot interpret bond block line:Cannot read STEXT block lineCannot read properties block lineToo long properties block lineSKPREG ENDCHGCharge not recognized:RADRadical not recognized:ISOIsotopic data not recognized:CASM ENDToo long SData line truncatedNAMECOMMENTUnexpected SData header line:Bypassing to next structurehelp AuxInfo...%d->%dRadical center type replaced:Unrecognized bond type:Unrecognized bond stereo:Bond to nonexistent atomAtom has a bond to itselfMultiple bonds between two atomsDuplicated bond(s) between two atomsAtom '%s' has more than %d bondsAtom '%s' has %d alternating bondsIgnored charge/radical redefinition:Parsed compound atom(s):Unknown element(s):Empty structureToo many atomsCannot allocate output buffer. Terminating Cannot create end xml tag for structure #%d.%s%s%s%s Terminating. h)(, itdhtdh!-+u?; versionstructurenumberid.nameid.valuetypemessagevaluefatal (aborted)error (no InChI)warningidentifierreconnectedversionalphanumericsctcompressedidentifier.auxiliary-info!-- This section is NOT a part of the identifier, it is not unique --omit_undef_dbondomit_undef_sp3123<&>"'%s<%s %s="%d"/%s%s<%s %s="%s">"%d" %s="%s"%s%s<%s %s="%s" %s="%s"/>mnMinimiMiNCannot allocate output buffer. No output for structure #%d.%s%s%s%s (V%s<%s %s="%s" %s="%s%s%s"%sStructure: %d%sStructure: %d.%s%s%s%s:%ld%s%s=%s%sABCDEFGHIJKLMNOP\%c%c//%s<%s>AuxInfo=%s%s%sOutput buffer overflow FATAL ERROR: %s ??? %s="%d"%s%s%s%s%s c%d%s.%d%si%doeuhdt%s%cCannot find 0D stereobond neighbor-+%c%s%s%dfixed_Hfixed-Hisotopicstereoformula/cconnections/hH_atoms/qcharge/pprotons/bdbond/tsp3/msp3:invertedabs.inverted/stype (1=abs, 2=rel, 3=rac)/iatomsexchangeable_HH-isotopic/fH_fixedH-fixed/otransposition/rreconnected bond(s) to metal(s) formulaabs_stereo_invertedstereo.abs.invertedreversibilitynormalization_typenorm-type/N:original_atom_numbersatom.orig-nbr/E:atom_equivalenceatom.equivalence/gE:group_equivalencegroup.equivalence/it:/iN:/CRV:charge_radical_valencecharges-rad-val/rA:/rB:bonds/rC:xyz/F:/I:/R:reconnected bond(s) to metal(s) part<&>"'%10.2e%10.2f%10.3f%10.4f%10.1f%10.3eProton(s) added/removedCharges neutralizedOmitted undefined stereo*,()0is missing=No description(%d)UNKNOWN_ERR(%d)Cannot process aromatic bondsCannot process free radical centerUNKNOWN_ERRWrong or missing chemical formulaCANON_ERRSTEREO_CANON_ERRCALC_STEREO_ERRREMOVE_STEREO_ERRUser requested terminationSTEREOBOND_ERRATOMCOUNT_ERRSTEREOCOUNT_ERRISO_H_ERRTime limit exceededMAPCOUNT_ERRISOTAUCOUNT_ERRTAUCOUNT_ERRISOCOUNT_ERRRANKING_ERROut of RAMLENGTH_MISMATCHARRAY OVERFLOW <%s> InChI ANNOTATED CONTENTS ==== %s ==== %s inp structure #%ld: End of file.%s%s%s%s End of file detected after structure #%ld. Fatal Error %d (aborted; %s) inp structure #%ld.%s%s%s%s MolfileError %d (no %s; %s) inp structure #%ld.%s%s%s%s Warning: (%s) inp structure #%ld.%s%s%s%s Cannot create start xml tag for structure #%ld.%s%s%s%s Terminating. Cannot extract Component%s #%d structure #%ld.%s%s%s%s Ambiguous stereo:center(s)bond(s)Error %d (%s) structure #%ld component %d.%s%s%s%s Warning (%s) structure #%ld.%s%s%s%s Accepted unusual valence(s):%+dtd,%s(%d)Charges were rearrangedSalt was disconnectedMetal was disconnectedCannot disconnect metal errorStructure #%ldCannot interpret reversibility informationNot chiralFatal undetermined program errorCannot allocate output data. TerminatingCannot distinguish componentsZzCannot create xml tag for error (structure #%ld.%s%s%s%s) Terminating. Cannot create end xml tag for structure #%ld.%s%s%s%s Terminating. #5U"4N;P;As;Sb;O;S;Se;Te;N;P;As;Sb;O;S;Se;Te;C;Si%s InChIV10 V2000%3d%3d 0 0%3d 0 0 0 0 0%3d%s %10.4f%10.4f%10.4f %-3.3s%2d%3d 0 0%3d 0 0 0 0 %3u%3u%3u%3u 0 0 0 %3u%3u%3u 0 0 0 0 A %d ?^^ %3d %3dM CHG%3d%s M RAD%3d%s M ISO%3d%s M END > <%s> > %s $$$$ HDTNPOSSeTeCSiGeSnAsBSSSSSeSeSeSeNNNPPPAsNCSiGeNNCSiGeCSiGeN;P;As;Sb;O;S;Se;Te;C;Si.mol.txt.log.prbSTDIOINPAUXSDF:START:END:NOLABELSSAVEOPTAUXNONEOUTPUTSDFSdfAtomsDTEQUSNONNEWPSOFFDONOTADDHSRELSRACSUCFChiralFlagONChiralFlagOFFSUUSLUUDFIXEDHRECMETKET15TWarnOnEmptyStructureKeyXHash1XHash2InChI2InChIInChI2StructUnrecognized option: "%s". Terminating: generation of InChIKey is not available with 'Compress' option Terminating: generation of InChIKey is not available in InChI conversion mode Terminating: generation of InChIKey is not available with 'OutputSDF' option NULHash extension(s) not generated: InChIKey not requestedUsing specific structure perception features: Stereo OFF Both ends of wedge point to stereocenters Do not add H Generating standard InChI Generating non-standard InChI with the options: (write H isotopes as D, T)Output SDfile only without stereochemical information and atom coordinates%s Mobile H Perception OFF (include FixedH layer) Mobile H Perception ON (omit FixedH layer) Mobile H ignored Undefined Mobile H mode Disabled Aggressive (De)protonation Include bonds to metals Do not reconnect metals (omit RecMet layer) Do not disconnect metals Slow Redund. No AltBond Chiral Flag Absolute Racemic Relative %s%s%s%sStereo ON Include undefined/unknown stereogenic centers and bonds Omit undefined/unknown stereogenic centers Omit undefined/unknown stereogenic bonds Omit undefined/unknown stereogenic centers and bonds Make labels for unknown and undefined stereo different Min. stereobond ring size: %d Min. stereobond ring size: NONE Account for keto-enol tautomerism Do not account for keto-enol tautomerism Account for 1,5-tautomerism Do not account for 1,5-tautomerism Generating standard InChIKey Generating InChIKey Generating hash extension (1st block) Generating hash extension (2nd block) Generating hash extension (two blocks) Saving InChI creation options suppressed for standard InChI Issue warning on empty structure InChI AuxInfo (plain)UnknownSDfileCMLfileInChI (plain identifier)InChI AuxInfo (xml)MOLfileInput format: %s (attempting to read Molfile number) SDfile data header: "%s" SDfile only, tabbedPlain textSDfile only (without stereochemical info and atom coordinates)XMLOutput format: %s%s Representation: Compressed Predecessor_numbers(closures)Canon_numbers(branching, ring closures)Shorter alternativeNumericalConnection table: %s, %s Aux. info suppressed Minimal Aux. info Full Aux. info Timeout per structure: %lu.%03lu sec No timeoutUp to %d atoms per structure sSkipping %ld structure%s Terminate after structure #%ld Saving warning structures into the problem file Saving only all good structures into the problem file %s ver %s%s. Usage: inchi-%s inputFile [outputFile [logFile [problemFile]]] [%coption [%coption...]] InChI1, Software version 1.04 (API Library) Build of September 9, 2011 Options: Input STDIO Use standard input/output streams InpAux Input structures in %s default aux. info format (for use with STDIO) SDF:DataHeader Read from the input SDfile the ID under this DataHeader Output AuxNone Omit auxiliary information (default: Include) SaveOpt Save custom InChI creation options (non-standard InChI) NoLabels Omit structure number, DataHeader and ID from %s output Tabbed Separate structure number, %s, and AuxInfo with tabs OutputSDF Convert %s created with default aux. info to SDfile SdfAtomsDT Output Hydrogen Isotopes to SDfile as Atoms D and T Structure perception SNon Exclude stereo (default: include absolute stereo) NEWPSOFF Both ends of wedge point to stereocenters (default: a narrow end) DoNotAddH All H are explicit (default: add H according to usual valences) Stereo perception modifiers (non-standard InChI) SRel Relative stereo SRac Racemic stereo SUCF Use Chiral Flag: On means Absolute stereo, Off - Relative Customizing InChI creation (non-standard InChI) SUU Always include omitted unknown/undefined stereo SLUUD Make labels for unknown and undefined stereo different RecMet Include reconnected metals results FixedH Include Fixed H layer KET Account for keto-enol tautomerism (experimental) 15T Account for 1,5-tautomerism (experimental) Generation Wnumber Set time-out per structure in seconds; W0 means unlimited WarnOnEmptyStructure Warn and produce empty %s for empty structure Key Generate InChIKey XHash1 Generate hash extension (to 256 bits) for 1st block of InChIKey XHash2 Generate hash extension (to 256 bits) for 2nd block of InChIKey Conversion InChI2InChI Convert %s string(s) into %s string(s) InChI2Struct Convert InChI string(s) to structure(s) in InChI aux.info format #%dWrong 0D stereo descriptor(s):%d0D Parities Reconciliation failed:??NSC+-^HDTHeLiBeBOFNeNaMgAlSiPClArKCaScTiVCrMnFeCoNiCuZnGaGeAsSeBrKrRbSrYZrNbMoTcRuRhPdAgCdInSnSbTeIXeCsBaLaCePrNdPmSmEuGdTbDyHoErTmYbLuHfTaWReOsIrPtAuHgTlPbBiPoAtRnFrRaAcThPaUNpPuAmCmBkCfEsFmMdNoLrRfDbSgBhHsMtDsRgCnT!" K  'hnopqb ($ %#}&*+<=>?CGJMXYZ[\]^_`acdefgijklrstyz{|Illegal byte sequenceDomain errorResult not representableNot a ttyPermission deniedOperation not permittedNo such file or directoryNo such processFile existsValue too large for data typeNo space left on deviceOut of memoryResource busyInterrupted system callResource temporarily unavailableInvalid seekCross-device linkRead-only file systemDirectory not emptyConnection reset by peerOperation timed outConnection refusedHost is downHost is unreachableAddress in useBroken pipeI/O errorNo such device or addressBlock device requiredNo such deviceNot a directoryIs a directoryText file busyExec format errorInvalid argumentArgument list too longSymbolic link loopFilename too longToo many open files in systemNo file descriptors availableBad file descriptorNo child processBad addressFile too largeToo many linksNo locks availableResource deadlock would occurState not recoverablePrevious owner diedOperation canceledFunction not implementedNo message of desired typeIdentifier removedDevice not a streamNo data availableDevice timeoutOut of streams resourcesLink has been severedProtocol errorBad messageFile descriptor in bad stateNot a socketDestination address requiredMessage too largeProtocol wrong type for socketProtocol not availableProtocol not supportedSocket type not supportedNot supportedProtocol family not supportedAddress family not supported by protocolAddress not availableNetwork is downNetwork unreachableConnection reset by networkConnection abortedNo buffer space availableSocket is connectedSocket not connectedCannot send after socket shutdownOperation already in progressOperation in progressStale file handleRemote I/O errorQuota exceededNo medium foundWrong medium typeNo error informationinfinity  !"#  !"#rwa              0123456789ABCDEF-+ 0X0x(null)-0X+0X 0X-0x+0x 0xinfINFnanNAN.