MP_Ref Structure(SMILES) NAME InChIKey MP InChI CAS CSIDCC(O)CN 1-AMINO- HXKKHQJGJ 25 InChI=1/C378-96-6 3OP(=O)(O)OC1C(O)C(O)C(O)CINOSITOL INAPMGSX 195 InChI=1/C6573-35-3 8O=C3CC4CCC2C(CCC1(C)C2CCANDROSTANNVKAWKQ 181 InChI=1/C1521-18-6 14Oc1c(cccc1O)C(=O)O 2,3-DIHYD GLDQAMYC 204 InChI=1/C7303-38-8 18O=C(O)C(O)C(=O)O Tartronic aROBFUDYV 157 InChI=1/C380-69-3 44CC(C)C(=O)C(=O)O Butanoic acQHKABHOO 31.5 InChI=1/C5759-05-7 48OC(C(=O)C(=O)O)C(O)C(O)CO2-Keto-L-guVBUYCZFB 171 InChI=1/C6526-98-7 49OC(=O)C(=O)CCC(=O)O PentanedioiKPGXRSRH 115.5 InChI=1/C5328-50-7 50CCC(=O)C(=O)O Butanoic acTYEYBOSBB 33 InChI=1/C4600-18-0 57Clc1ccc(Cl)c(O)c1 2,5-DICHL RANCECPP 59 InChI=1/C6583-78-8 65O=C2CCC1C3CC=C4CC(O)CCCPRASTEROFMGSKLZL 140.5 InChI=1/C153-43-0 75N#Cc1cccnc1 3-CYANOPYGZPHSAQLY 51 InChI=1/C6100-54-9 78CC(=O)CC(=O)O ACETOACETWDJHALXB 36.5 InChI=1/C4541-50-4 94OCc1cc(O)ccc1 M-HYDROXOKVJCVWF 73 InChI=1/C7620-24-6 100OC(=O)Cc1cccnc1 3-PyridineaWGNUNYPE 144 InChI=1/C7501-81-5 106OCc1ccc(O)cc1 P-HYDROXYBVJSUAQZ 124.5 InChI=1/C7623-05-2 122O=Cc1ccc(O)cc1 4-HYDROXRGHHSNMV 117 InChI=1/C7123-08-0 123Oc1ccc(CC(=O)O)cc1 P-HYDROXYXQXPVVBI 152 InChI=1/C8156-38-7 124OC(=O)c1ccc(O)cc1 P-HYDROXYFJKROLUG 214.5 InChI=1/C799-96-7 132

Aldrich (1998) O=C(O)C(N)Cc2cnc1ccc(O)cc 5-HydroxytLDCYZAJD 299 InChI=1/C1114-03-4 141CC(C)CCCC(C)C1CCC2C3=CC=Cholesta-5,UCTLRSWJ 150.5 InChI=1/C2434-16-2 167CC(=O)O ACETIC ACIQTBSBXVT 16.6 InChI=1/C264-19-7 171

CRC Handbook CC=O ACETALDE IKHGUXGNU -123.37 InChI=1/C 75-07-0 172CC(N)=O METHYLFODLFVBJFMP -3.8 InChI=1/C2123-39-7 173CC(N)=O ACETAMIDDLFVBJFMP 81 InChI=1/C260-35-5 173

CRC HandbookCC(C)=O ACETONE CSCPPACG -94.8 InChI=1/C367-64-1 175LIDE,DR ET AL.O=C(C)NC(CCC(=O)O)C(=O)ON-Acetylgl RFMMMVDN 199 InChI=1/C71188-37-0 180

Nc3ncnc1c3ncn1C2OC(CO)C(ADENOSINOIRDTQYF 235.5 InChI=1/C158-61-7 186Merck Index Nc3ncnc2c3ncn2C1OC(CO)C(9H-PURIN-OIRDTQYF 257.25 InChI=1/C15536-17-4 186

OC(=O)CCCCC(=O)O HEXANEDIOWNLRTRBM 153.2 InChI=1/C6124-04-9 191Merck Index (2O=C1NC(=O)NC1NC(=O)N ALLANTOINPOJWUDAD 238 InChI=1/C497-59-6 199

OC1C(O)C(CO)OC(O)C1O GLUCOSE WQZGKKKJI 83 InChI=1/C650-99-7 201OC1C(O)C(CO)OC(O)C1O D-Altrose WQZGKKKJI 103.5 InChI=1/C61990-29-0 201OC1C(O)C(CO)OC(O)C1O D-ALLOSE WQZGKKKJI 128 InChI=1/C62595-97-3 201OC1C(O)C(CO)OC(O)C1O alpha-D-GlWQZGKKKJI 146 InChI=1/C6492-62-6 201OC1C(O)C(CO)OC(O)C1O GALACTOSWQZGKKKJI 170 InChI=1/C659-23-4 201Cc1cc2ncn(c2cc1C)C3OC(CO)alpha-RibaHLRUKOJS 198.5 InChI=1/C1132-13-8 206

Merck Index (2N AMMONIAQGZKDVFQ -77.7 InChI=1/H 7664-41-7 217O=C2CCC1C3CCC4CC(O)CCC4EpiandrostQGXBDMJG 178 InChI=1/C1481-29-8 220O=C2CCC1C3CCC4CC(O)CCC4ANDROSTEQGXBDMJG 185 InChI=1/C153-41-8 220

Merck Index; aOC(=O)c1ccccc1N 2-AMINOBERWZYAGGX 145 InChI=1/C7118-92-3 222OC1C(O)COC(O)C1O L-ArabinosSRBFZHDQ 158 InChI=1/C587-72-9 224

LIDE,DR ET AL.NC(CCCNC(=N)N)C(=O)O Arginine H ODKSFYDX 219 InChI=1/C61119-34-2 227ALDRICH (2000NC(CCCNC(=N)N)C(=O)O D-ArginineODKSFYDX 217 InChI=1/C6627-75-8 227

NC(=O)CC(N)C(=O)O ASPARAGI DCXYFEDJ 234.5 InChI=1/C470-47-3 231O=Cc1ccccc1 BENZALDE HUMNYLRZ -26 InChI=1/C7100-52-7 235c1ccccc1 BENZENE UHOVQNZJ 5.5 InChI=1/C671-43-2 236O=C(O)c1ccccc1 BENZOIC AWPYMKLBD 122.4 InChI=1/C765-85-0 238

ALDRICH (2000OP(=O)(Oc1ccc(cc1)[N+]([O-]Bis(4-nitr MHSVUSZE 173.5 InChI=1/C1645-15-8 250CRC Handbook CCCC=O BUTYRALDZTQSAGDE -99 InChI=1/C4123-72-8 256

CCCCO 1-BUTANOLRHPLDYG -89.8 InChI=1/C471-36-3 258Merck Index (2CCCC(=O)O BUTYRIC AFERIUCNN -7.9 InChI=1/C4107-92-6 259

Nc4ncnc3c4ncn3C2OC1COP(Cyclic AMPIVOMOUWH 219.5 InChI=1/C160-92-4 268N=C(N)NOCCC(N)C(=O)O Canavanin FSBIGDSB 184 InChI=1/C5543-38-4 269O=C=O CARBON DICURLTUGM -56.5 InChI=1/CO124-38-9 274

CARBON MUGFAIRIU -205 InChI=1/CO630-08-0 275O=CO FORMIC ACBDAGIHXW 8.3 InChI=1/CH64-18-6 278OC2C(OC1OC(CO)C(O)C(O)C1.beta.-D-G GUBGYTAB 254 InChI=1/C15965-66-2 288OC2C(OC1OC(CO)C(O)C(O)C1MALTOSE GUBGYTAB 102.5 InChI=1/C169-79-4 288OC2C(OC1OC(CO)C(O)C(O)C1LACTOSE GUBGYTAB 201.5 InChI=1/C163-42-3 288C METHANE VNWKTOKE -182.4 InChI=1/C 74-82-8 291O=[N+]([O-])c1ccc(cc1)C(O)CCHLORAMPWIIZWVCIJ 150.5 InChI=1/C156-75-7 292Oc1cc(Cl)c(O)cc1 CHLOROHYAJPXTSMU 108 InChI=1/C6615-67-8 295O=C(O)CCC(C)C2CCC1C3C(O)CHOLIC ACBHQCQFFY 198 InChI=1/C281-25-4 297CC(C)CCCC(C)C1CCC2C3CC=CEpicholestrHVYWMOML 141.5 InChI=1/C2474-77-1 298OC(=O)CC(O)(CC(O)=O)C(=O)CITRIC ACI KRKNYBCH 153 InChI=1/C677-92-9 305

ChemFinder OnO=P(O)(O)OCC2OC(N1C=CC( Cytidine IERHLVCPS 233 InChI=1/C963-37-6 308Merck OC(=O)c1ccccc1O SALICYLIC YGSDEFSM 159 InChI=1/C769-72-7 331

Cc1cccc(O)c1O 1,2-BenzenPGSWEKYN 68 InChI=1/C7488-17-5 333CRC Handbook Oc1ccc(cc1)OC2OC(CO)C(O) ARBUTIN BJRNKVDF 199.5 InChI=1/C1497-76-7 339

CCCCCCCC OCTANE TVMXDCGI -56.8 InChI=1/C8111-65-9 349Oc1cc(O)cc(O)c1 1,3,5-TRI QCDYQQDY 218.5 InChI=1/C6108-73-6 352O=C(O)CCCCCCC OCTANOIC WWZKQHOC 16.3 InChI=1/C8124-07-2 370O=C(O)CCCCCC(=O)O PIMELIC ACWLJVNTCW 106 InChI=1/C7111-16-0 376NCCCC(N)C(=O)O ORNITHINEAHLPHDHH 140 InChI=1/C570-26-8 380

CRC HandbookCC(C)[N+]([O-])=O 2-NITROP FGLBSLMD -91.3 InChI=1/C379-46-9 387Aldrich (1998) NC1CONC1=O 3-IsoxazoliDYDCUQKU 139.5 InChI=1/C368-39-3 390

S HYDROGEN RWSOTUBL -85.49 InChI=1/H 6/4/7783 391Nc1ccc(O)cc1 PHENOL, 4PLIKAWJE 187.5 InChI=1/C6123-30-8 392CN2C(=O)CCC2c1cnccc1 2-PYRROLIDUIKROCXW 41 InChI=1/C1486-56-6 395O=C(O)CC(N)C(=O)O ASPARTIC CKLJMWTZ 270 InChI=1/C456-84-8 411O=C(O)CC(N)C(=O)O DL-AsparticCKLJMWTZ 275 InChI=1/C4617-45-8 411O=C(O)CC(C)O b-HydroxybWHBMMWSB 46 InChI=1/C4300-85-6 428O=C(O)CC(C)O 3-HydroxybWHBMMWSB 49 InChI=1/C4625-71-8 428OC(=O)c1cc(Cl)ccc1 M-CHLOROBLULAYUGM 158 InChI=1/C7535-80-8 434Oc3cc4CCC2C(CCC1(C)C2CCCESTRADIOLVOXZDWNP 178.5 InChI=1/C150-28-2 437Oc3cc4CCC2C(CCC1(C)C2CCCa-EstradiolVOXZDWNP 221.5 InChI=1/C157-91-0 437

CRC (2007) OC(C(O)CO)C(O)C(O)CO SORBITOL FBPFZTCFM 111 InChI=1/C650-70-4 440OC(C(O)CO)C(O)C(O)CO MANNITOLFBPFZTCFM 168 InChI=1/C669-65-8 440

Lide, DT ET AL.OC(C(O)CO)C(O)C(O)CO Mannitol FBPFZTCFM 168 InChI=1/C687-78-5 440OC(C(O)CO)C(O)C(O)CO GALACTITOFBPFZTCFM 189.5 InChI=1/C6608-66-2 440

Ullmann's on-lCCCCCCCC=O OCTANAL NUJGJRNET -23 InChI=1/C8124-13-0 441CRC (2007) Oc1ccccc1OC 2-METHOXLHGVFZTZF 32 InChI=1/C790-05-1 447

O=C(NCC(=O)O)c1ccccc1 HIPPURIC QIAFMBKC 191.5 InChI=1/C9495-69-2 451O=C(O)C1CCC(=O)N1 L-Proline, ODHCTXKN 184.7 InChI=1/C598-79-3 485O=C(O)C(O)CC(=O)O MALIC ACI BJEPYKJP 131 InChI=1/C46915-15-7 510

CRC Handbook CCC=O PROPIONANBBJYMSM -80 InChI=1/C 123-38-6 512N#CO CYANIC ACXLJMAIOE -86 InChI=1/C 420-05-3 525O=[N+]([O-])c1ccc(C=O)cc1 4-NITROBEBXRFQSNO 107 InChI=1/C7555-16-8 526O=C(O)CP(=O)(O)O PHOSPHONXUYJLQHK 144.5 InChI=1/C24408-78-0 531Oc1ccc(CC(=O)O)cc1O 3,4-DIHYD CFFZDZCD 128.5 InChI=1/C8102-32-9 532NCCCCCC(=O)O 6-AMINOHESLXKOJJO 205 InChI=1/C660-32-2 548c1cccc2oc3ccccc3c12 DIBENZOF TXCDCPKC 86.5 InChI=1/C1132-64-9 551CC(=O)NC(CS)C(O)=O L-Cysteine,PWKSKIMO 109.5 InChI=1/C5616-91-1 561NC1=NC(=O)N(C=C1)C2OC(C CytarabineUHDGCWIW 212.5 InChI=1/C9147-94-4 576

Aldrich (1998) NC1=NC(=O)N(C=C1)C2OC(C CytarabineUHDGCWIW 197.5 InChI=1/C969-74-9 576CC(N)C(=O)O D-Alanine QNAYBMKL 292 InChI=1/C3338-69-2 582OC(C(O)C(=O)O)C(O)C(O)CO D-GLUCONIRGHNJXZE 131 InChI=1/C6526-95-4 584OC(C(O)C(O)C(O)C(=O)O)C(= Glucaric acDSLZVSRJT 125.5 InChI=1/C687-73-0 587OC(=O)CCC(N)C(=O)O D-GlutamicWHUUTDBJ 201 InChI=1/C56893-26-1 591

Merck Index (2O=C(O)C(C)O LACTIC ACIJVTAAEKCZ 16.8 InChI=1/C350-21-5 592O=C(O)C(C)O A-HYDROXYJVTAAEKCZ 18 InChI=1/C3598-82-3 592O=C(O)C(C)O D-LACTIC AJVTAAEKCZ 52.8 InChI=1/C310326-41-7 592O=C(O)C(C)O L-LACTIC AJVTAAEKCZ 53 InChI=1/C379-33-4 592O=C(O)C1CCCN1 DL-Proline ONIBWKKT 205 InChI=1/C5609-36-9 594O=C1NC(=O)N(C=C1)C2CC(O)URIDINE, 2MXHRCPNR 163 InChI=1/C9951-78-0 620O=C(O)CCCCCC1NC(=O)NC1CDesthiobioAUTOLBMX 157 InChI=1/C1533-48-2 623

CRC HandbookCC(=O)C(C)=O 2,3-BUTANQSJXEFYPD -1.2 InChI=1/C4431-03-8 630O=C1CCc2ccccc2O1 2H-1-BenzoVMUXSMXI 25 InChI=1/C9119-84-6 640

Merck Index OCC(=O)CO DIHYDROXRXKJFZQQ 90 InChI=1/C396-26-4 650CN(C)CC(=O)O N,N-DIMETFFDGPVCH 185.5 InChI=1/C41118-68-9 653

CRC HandbookCNC DIMETHYL ROSDSFDQ -92.2 InChI=1/C 124-40-3 654Cc1cc2ncnc2cc1C 5,6-DIMETLJUQGASM 205.5 InChI=1/C9582-60-5 655

Merck Index (2CS(C)=O DIMETHYL IAZDPXIO 18.5 InChI=1/C267-68-5 659Oc1ccc(CCN)cc1O DOPAMINEVYFYYTLL 128 InChI=1/C851-61-6 661

ALDRICH (2000Oc1ccc(CCN)cc1O 1,2-BenzenVYFYYTLL 219 InChI=1/C8645-31-8 661CCO ETHANOL LFQSCWFL -114.1 InChI=1/C 64-17-5 682

Merck Index (2O=C FORMALDEWSFSSNUM -92 InChI=1/C 50-00-0 692NC=O FORMAMIDZHNUHDYF 2.55 InChI=1/CH75-12-7 693O=C(O)CCCC(=O)O PENTANEDIJFCQEDHG 97.8 InChI=1/C5110-94-1 723O=C(NCC(=O)O)C(NC(=O)CCCGlutathionRWSXRVCM 195 InChI=1/C170-18-8 725O=CC(O)CO GlyceraldeMNQZXJO 145 InChI=1/C3367-47-5 731O=CC(O)CO Propanal, 2MNQZXJO 145 InChI=1/C356-82-6 731OCC(O)CO GLYCEROL PEDCQBHI 18.2 InChI=1/C356-81-5 733

O=P(O)(O)OCC(O)CO GlycerophoAWUCVROL -25 InChI=1/C357-03-4 734O=C(O)CNC(=O)CCC(C)C2CCCGLYCOCHOLRFDAIACW 166.5 InChI=1/C2475-31-0 735O=CCO GLYCOLAL WGCNASOH 97 InChI=1/C2141-46-8 736

CRC HandbookO=C(O)CO HYDROXYACAEMRFAOF 79.5 InChI=1/C279-14-1 737O=CC(=O)O GLYOXYLICHHLFWLYX 98 InChI=1/C2298-12-4 740

Merck Index C#N HYDROCYANLELOWRIS -13.4 InChI=1/C 74-90-8 748NCCc1cncn1 1H-IMIDAZNTYJJOPF 86 InChI=1/C551-45-6 753Nc1nc(C)ncc1CO ToxopyrimiVUTBELPR 198 InChI=1/C673-67-6 756

Aldrich (1998) O=C(O)C(N)CCS Butyric aci FFFHZYDW 220 InChI=1/C4454-29-5 757O=C(O)C(N)CCS HomocysteFFFHZYDW 232.5 InChI=1/C46027-13-0 757Oc1ccc(O)cc1CC(=O)O BENZENEACIGMNYECM 153 InChI=1/C8451-13-8 759OO HYDROGENMHAJPDPJ -0.43 InChI=1/H 7722-84-1 763

Merck Index (2Oc1ccc(O)cc1 HYDROQUIQIGBRXMK 170.5 InChI=1/C6123-31-9 764NO HYDROXYLAVXURJPO 33 InChI=1/H 7803-49-8 766c1cncn1 IMIDAZOLERAXXELZN 90.5 InChI=1/C3288-32-4 773c1cccc2nccc12 INDOLE SIKJAQJRH 52.5 InChI=1/C8120-72-9 776O=C(O)Cc2cnc1ccccc12 INDOLE-3- SEOVTRFC 168.5 InChI=1/C187-51-4 780

CRC (2005) II IODINE PNDPGZBM 113.6 InChI=1/I2 7553-56-2 785O=C(O)C(=C)CC(=O)O ButanedioiLVHBHZAN 175 InChI=1/C597-65-4 789CCCC(N)C(=O)O DL-Norvali SNDPXSYF 303 InChI=1/C5760-78-1 801CCCC(N)C(=O)O NORVALINSNDPXSYF 307 InChI=1/C56600-40-4 801O=C(O)C1CC(O)CN1 HYDROXYPPMMYEEVY 274 InChI=1/C551-35-4 802OC(CO)C(O)C(O)CO Xylitol HEBKCHPV 93.5 InChI=1/C587-99-0 804OC(CO)C(O)C(O)CO Arabitol HEBKCHPV 103 InChI=1/C52152-56-9 804OC(CO)C(O)C(O)CO Ribitol HEBKCHPV 104 InChI=1/C5488-81-3 804NC(CCCNC(N)=O)C(=O)O L-ORNITHI RHGKLRLO 235.5 InChI=1/C6372-75-8 810

CRC Handbook Oc1ccc(cc1O)C(O)CNC EPINEPHRIUCTWMZQN 211.5 InChI=1/C951-43-4 815Ullmann OnlinOc1ccc(cc1O)C(O)CNC RacepinephUCTWMZQN 211.5 InChI=1/C9329-65-7 815

OC1C(O)C(C)OC(O)C1O QuinovoseSHZGCJCM 139.5 InChI=1/C6 8/4/7658 817O=C(O)C1CCCCN1 2-PIPERID HXEACLLII 264 InChI=1/C6535-75-1 826O=C(O)C(N)Cc2cc(I)c(Oc1cc(I)cTHYROXIN XUIIKFGFI 235.5 InChI=1/C151-48-9 830OC(C=O)C(O)C(O)CO D-Xylose PYMYPHUH 90.5 InChI=1/C558-86-6 831OC(C=O)C(O)C(O)CO D-Lyxose PYMYPHUH 106.5 InChI=1/C51114-34-7 831C/C(C)=C\CCC(C)C2CCC3(C)CLANOSTA-8,CAHGCLML 140.5 InChI=1/C379-63-0 833

LIDE,DR ET AL.CC(C)CC(N)C(=O)O D-Leucine ROHFNLRQ 293 InChI=1/C6328-38-1 834CC(C)CC(N)C(=O)O LEUCINE ROHFNLRQ 293 InChI=1/C6328-39-2 834

CRC (2007) CC(C)CC(N)C(=O)O LEUCINE ROHFNLRQ 293 InChI=1/C661-90-5 834ALDRICH (2000NC(=O)CCCCC1CCSS1 Lipoamide FCCDDURT 128 InChI=1/C8940-69-2 840

O=C(O)CCCCC1CCSS1 1,2-DITHI AGBQKNBQ 60.5 InChI=1/C862-46-4 841Ullmann's EncyO=C(O)CCCCC1CCSS1 Thioctic acAGBQKNBQ 47.75 InChI=1/C81077-28-7 841

NC(CCCCN)C(=O)O DL-Lysine KDXKERNSB 224 InChI=1/C670-54-2 843OC2C(COC1OC(CO)C(O)C(O)CGentiobiosDLRVVLDZ 86 InChI=1/C1554-91-6 849O=C(O)C(O)C(O)C(O)=O meso-TARTFEWJPZIE 147 InChI=1/C4147-73-9 852O=C(O)C(O)C(O)C(O)=O TARTARIC FEWJPZIE 169 InChI=1/C487-69-4 852O=C(O)C(O)C(O)C(O)=O D-TARTARIFEWJPZIE 172.5 InChI=1/C4147-71-7 852

O=C(O)C(O)C(O)C(O)=O DL-TARTARFEWJPZIE 206 InChI=1/C4133-37-9 852CS METHANETLSDPWZHW -123 InChI=1/C 74-93-1 855O=CC(C)=O GLYCIDYLAAIJULSRZ -62 InChI=1/C3765-34-4 857

Merck Index (1CO METHANOLOKKJLVBEL -97.6 InChI=1/C 67-56-1 864OC1C(O)C(O)C(O)C(O)C1O D-Inositol CDAISMWE 249.5 InChI=1/C6643-12-9 868

Merck Index (aCC(=O)NCCc2cnc1ccc(cc12)OMELATONIDRLFMBDR 117 InChI=1/C173-31-4 872O=C(C)Nc1ccccc1 ACETANILI FZERHIUL 114.3 InChI=1/C8103-84-4 880OC(CNC)c1ccccc1 Halostachi ZCTYHONE 44 InChI=1/C9495-42-1 889c1cccc2ccccc12 NAPHTHALUFWIBTON 80.2 InChI=1/C191-20-3 906Oc1ccc(cc1)C3CC(=O)c2c(cc( NARINGENFTVWIRXF 251 InChI=1/C1480-41-1 907

CRC HandbookNC(=O)c1cccnc1 NICOTINA DFPAKSUC 130 InChI=1/C698-92-0 911O=C(O)c1cccnc1 NICOTINIC PVNIIMVL 236.6 InChI=1/C659-67-6 913CN2CCCC2c1cnccc1 NICOTINE SNICXCGA -79 InChI=1/C154-11-5 917[O-][N+](=O)O NITRIC ACIGRYLNZFG -41.59 InChI=1/HN7697-37-2 919N=O NITROGEN ODUCDPQE -163.6 InChI=1/H 10102-43-9 920

CRC 2007 [O-][N+]#N NITROUS OGQPLMRYT -90.81 InChI=1/N210024-97-2 923CN(C)c1ccccc1 N,N-DIMETJLTDJTHD 2.5 InChI=1/C8121-69-7 924

CRC HandbookCCCCCCCCO 1-OCTANOKBPLFHHG -15.5 InChI=1/C8111-87-5 932O WATER XLYOFNOQ 0 InChI=1/H 7732-18-5 937OC(=O)C1=CC(=O)NC(=O)N1 OROTIC A PXQPEWDE 334 InChI=1/C550887-69-9 942OC(=O)C1=CC(=O)NC(=O)N1 OROTIC ACPXQPEWDE 345.5 InChI=1/C565-86-1 942O=C(O)C(=O)O OXALIC ACMUBZPKHO 101.5 InChI=1/C26153-56-6 946OC(=O)c1ccc(N)cc1 4-AMINOBEALYNCZND 188.5 InChI=1/C7150-13-0 953O=[N+]([O-])c1ccc(O)cc1 4-NITROPHBTJIUGUIP 113.8 InChI=1/C6100-02-7 955CCCCCCCCCCCCCCCC=O HexadecanNIOYUNMR 35 InChI=1/C1629-80-1 959

CRC O=C(O)CCCCCCCCCCCCCCC PALMITIC IPCSVZSSV 61.8 InChI=1/C157-10-3 960O=C1OCC(C)(C)C1O PantolactoSERHXTVX 92 InChI=1/C6599-04-2 964

CRC Hndbook (Clc1c(O)c(Cl)c(Cl)c(Cl)c1Cl PENTACHLIZUPBVBPL 174 InChI=1/C687-86-5 967OC1C(CO)OC(O)C1O RIBOSE HMFHBZSH 95 InChI=1/C550-69-1 968

CRC (2007) c2cc3ccc1ccccc1c3cc2 PHENANTHYNPNZTXN 99.24 InChI=1/C185-01-8 970Oc1ccccc1 PHENOL ISWSIDIOO 40.9 InChI=1/C6108-95-2 971OC(CN)c1ccccc1 PHENYLET ULSIYEODS 56.5 InChI=1/C87568-93-6 975O=P(O)(O)O PHOSPHORINBIIXXVUZ 42.35 InChI=1/H37664-38-2 979

Aldrich (1998) O=P(O)(O)OCCN PhosphorylSUHOOTKU 242 InChI=1/C21071-23-4 990O=C(O)c1ccccn1 PICOLINIC SIOXPEML 136.5 InChI=1/C698-98-6 993O=P(O)(O)OP(=O)(O)O PyrophosphXPPKVPWE 61 InChI=1/H4 9/3/2466 996CC(=O)C1CCC2C3CC=C4CC(O)PREGNENOORNBQBCI 192 InChI=1/C2145-13-1 1000CCCO 1-PROPANBDERNNFJ -126.1 InChI=1/C371-23-8 1004

Merck Index (2CCC(=O)O PROPIONICXBDQKXXYI -21.1 InChI=1/C379-09-4 1005n1ccnc2ncncc12 PTERIDINECPNGPNLZ 139.5 InChI=1/C691-18-9 1014c1ncnc2ncnc12 1H-PURINEKDCGOANM 216.5 InChI=1/C5120-73-0 1015NC(=O)c1cnccn1 2-PYRAZI IPEHBUMC 192 InChI=1/C598-96-4 1017c1ccnn1 PYRAZOLE WTKZEGDF 68 InChI=1/C3288-13-1 1019c1ccccn1 PYRIDINE JUJWROOI -41.6 InChI=1/C5110-86-1 1020Oc1c(C=O)c(cnc1C)CO PYRIDOXALRADKZDMF 165 InChI=1/C866-72-8 1021

Oc1c(C=O)c(cnc1C)COP(=O)( PYRIDOXALNGVDGCNF 255 InChI=1/C854-47-7 1022Oc1c(CO)c(cnc1C)CO PYRIDOXINLXNHXLLT 160.5 InChI=1/C865-23-6 1025CC(=O)C(=O)O PYRUVIC ALCTONWCA 13.8 InChI=1/C3127-17-3 1031OC1(CC(O)C(O)C(O)C1)C(=O)Quinic acidAAWZDTNX 162.5 InChI=1/C777-95-2 1035COc1cc2c(cc1)nccc2C(O)C4 QUININE LOUPRKON 57 InChI=1/C2130-95-0 1036COc1cc2c(cc1)nccc2C(O)C4 Quinine SalLOUPRKON 195 InChI=1/C2750-90-3 1036OC(=O)c1ncccc1C(=O)O QUINOLINIGJAWHXHK 228.5 InChI=1/C789-00-9 1037CSC DIMETHYLSQMMFVYP -98.3 InChI=1/C275-18-3 1039OC(=O)C(N)CSCC(O)=O L-Cysteine,GBFLZEXE 206 InChI=1/C5638-23-3 1050OC1CC(=CC(O)C1O)C(=O)O SHIKIMIC AJXOHGGNK 186 InChI=1/C7138-59-0 1063OC(C(=O)CO)C(O)C(O)CO L-Sorbose BJHIKXHV 165 InChI=1/C687-79-6 1070

ALDRICH (2000NCCCNCCCCN 1,4-ButaneATHGHQPF 258 InChI=1/C7334-50-9 1071NCCCNCCCCNCCCN Spermine PFNFFQXM 29 InChI=1/C171-44-3 1072

LIDE, DR ET AL.NCCCNCCCCNCCCN 1,4-ButanedPFNFFQXM 301.5 InChI=1/C1306-67-2 1072O=C(O)CCC(=O)O BUTANEDIOKDYFGRWQ 188 InChI=1/C4110-15-6 1078OC1C(OC(CO)C(O)C1O)OC2(CSUCROSE CZMRCDWA 185.5 InChI=1/C157-50-1 1083O=S(=O)(O)O SULFURIC QAOWNCQO 10.31 InChI=1/H27664-93-9 1086O=S=O SULFUR DIRAHZWNYV -72 InChI=1/O2 9/5/7446 1087NCCS(=O)(=O)O TAURINE XOAAWQZA 328 InChI=1/C2107-35-7 1091C1CCCS1 TETRAHYDRAOIDOHS -96.1 InChI=1/C4110-01-0 1095O=C(O)CS MERCAPTOACWERGRDV -16.5 InChI=1/C268-11-1 1101CC1=CN(C(=O)NC1=O)C2CC(OTHYMIDIN IQFYYKKM 186.5 InChI=1/C150-89-5 1102CC1=CNC(=O)NC1=O 5-METHYLURWQNBRDO 316 InChI=1/C565-71-4 1103Cc1ccccc1 TOLUENE YXFVVABE -94.9 InChI=1/C7108-88-3 1108OC1C(OC(CO)C(O)C1O)OC2OCTrehalose HDTRYLNU 203 InChI=1/C199-20-7 1111

Merck Index CN(C)C TRIMETHY GETQZCLC -117.08 InChI=1/C375-50-3 1114NCCc2cnc1ccccc12 TRYPTAMI APJYDQYY 118 InChI=1/C161-54-1 1118O=C1C=CNC(=O)N1 URACIL ISAKRJDG 338 InChI=1/C466-22-8 1141NC(N)=O UREA XSQUKJJJF 132.7 InChI=1/CH57-13-6 1143O=C1NC(=O)N(C=C1)C2OC(C URIDINE DRTQHJPV 165 InChI=1/C958-96-8 1144Oc1ccc(cc1O)C2Oc3cc(O)cc( CIANIDANOPFTAWBLQ 214 InChI=1/C1154-23-4 1166

Lide, DR ET AL CC(NC)Cc1ccccc1 MethampheMYWUZJCM 172.5 InChI=1/C1300-42-5 1169Merck Index (aCC42NC(Cc1ccccc12)c3ccccc DizocilpineLBOJYSIDW 68.75 InChI=1/C177086-21-6 1170

CC(C)C1CCC(C)CC1O MENTHOL NOOLISFM 35 InChI=1/C189-78-1 1216CC(C)C1CCC(C)CC1O CyclohexanoNOOLISFM 38 InChI=1/C115356-70-4 1216CC(C)C1CCC(C)CC1O MENTHOL (NOOLISFM 43 InChI=1/C12216-51-5 1216CC(C)C1CCC(C)CC1O (+)-IsomenNOOLISFM 79.5 InChI=1/C123283-97-8 1216OCC(c1ccccc1)C(=O)OC2CC3CScopolaminGSYQNAMO 80 InChI=1/C197-75-6 1220OC(C(=O)O)c1ccccc1 BENZENEACEIWYDHOAU 119 InChI=1/C8611-71-2 1253OC(C(=O)O)c1ccccc1 A-HYDROXYIWYDHOAU 119 InChI=1/C890-64-2 1253OC(C(=O)O)c1ccccc1 dl-MandeliIWYDHOAU 122 InChI=1/C8611-72-3 1253OC(C(=O)O)c1ccccc1 BenzeneacetIWYDHOAU 134 InChI=1/C817199-29-0 1253

CRC Handbook O=C(O)C(C)c1ccc2cc(ccc2c1) NAPROSYNCMWTZPSU 153 InChI=1/C122204-53-1 1262CC(O)(C(=O)O)c1ccccc1 BENZENEACNWCHELUC 116.5 InChI=1/C9515-30-0 1263CN2CCc1cc5OCOc5cc1C2C4OC5,6,7,8-T JZUTXVTY 116.5 InChI=1/C26592-85-4 1269

ALDRICH (2000NCCCCCCCCCCN 1,10-Diam YQLZOAVZ 62.5 InChI=1/C1646-25-3 1277c1ccnc3c1ccc2cccnc23 O-PHENANDGEZNRSV 117 InChI=1/C166-71-7 1278CNNC 1,2-DIMETDIIIISSCI -9 InChI=1/C2540-73-8 1282COc1ccccc1N2CCNCC2 PIPERAZINVNZLQLYBR 38.5 InChI=1/C135386-24-4 1306CN1CC=C(CC1)c2ccccc2 MPTP PLRACCBD 40 InChI=1/C128289-54-5 1346Cn1ccnc1 1H-IMIDAZMCTWTZJP -6 InChI=1/C4616-47-7 1348C#CC3(O)CCC2C4CCc1cc(ccc QuinestrolPWZUUYSI 107.5 InChI=1/C2152-43-2 1407Clc1cc(OCC(=O)O)c(Cl)cc1Cl 2,4,5-TRI SMYMJHWA 153 InChI=1/C893-76-5 1435

CRC Handbook Brc1cc(Br)cc(Br)c1O 2,4,6-TRI BSWWXRFV 95.5 InChI=1/C6118-79-6 1438Clc1cc(Cl)ccc1OCC(=O)O 2,4-DICHL OVSKIKFHR 140.5 InChI=1/C894-75-7 1441Clc1cc(Cl)ccc1OCC(=O)OC 2,4-D, METHWIGZMAD 119 InChI=1/C91928-38-7 1443Clc1cc(Cl)ccc1OCCCC(=O)O 2,4-DB YIVXMZJT 118 InChI=1/C194-82-6 1444

CRC (2007) O=[N+]([O-])c1cc(ccc1O)[N+]2,4-DINIT UFBJCMHM 114.8 InChI=1/C651-28-5 1448CC(N)(CO)CO 2-AMINO- UXFQFBNB 110 InChI=1/C4115-69-5 1477Cc1ccnc(N)c1 2-Pyridina ORLGLBZR 100 InChI=1/C6695-34-1 1479Nc1ccc2c3ccccc3Cc2c1 2-AMINOFCFRFHWQY 129 InChI=1/C1153-78-6 1484

ALDRICH (2000NCCOB(c1ccccc1)c2ccccc2 Borinic aci BLZVCIGGI 193 InChI=1/C1524-95-8 1540MERCK INDEX CC(NC)Cc1ccc2OCOc2c1 MDMA hydrSHXWCVYO 150 InChI=1/C164057-70-1 1556

Nc1ncnn1 AMITROLEKLSJWNVT 159 InChI=1/C261-82-5 1577Sigma Aldrich O=C(N)c1cc(N)ccc1 BENZAMIDEGSCPDZHW 115.5 InChI=1/C73544-24-9 1583CRC Hndbook (Cc2ccc3cc1c5ccccc5ccc1c4C 3-METHYL PPQNQXQZ 180 InChI=1/C256-49-5 1611

O=C2NC(=O)N(CCC)c1ncnc121H-PURINE-SIQPXVQC 288 InChI=1/C841078-02-8 1613LIDE,DR ET AL.[O-][N+](=O)CCC(=O)O 3-NitropropWBLZUCOI 62 InChI=1/C3504-88-1 1615

OCC(=O)C4(O)CC(OC1CC(N)C(ADRIAMYCAOJJSUZB 230 InChI=1/C223214-92-8 1628NC(=N)c1ccc(N)cc1 4-AminobeWPANETAW 182 InChI=1/C73858-83-1 1662Nc1ccncc1 4-AMINOPYNUKYPUAO 158.5 InChI=1/C5504-24-5 1664Oc1ccc(Cl)c(O)c1 4-CHLORO JQVAPEJNI 107 InChI=1/C695-88-5 1668Oc1ccc(cc1OC)CC(=O)O BENZENEACQRMZSPFS 143.5 InChI=1/C9306-08-1 1675O=C(NN)c1ccc(O)cc1 BENZOYLHYZMZGIVVR 265 InChI=1/C75351-23-5 1679Oc1ccc(CCCCCCCCC)cc1 P-NONYLP IGFHQQFP 42 InChI=1/C1104-40-5 1688

Merck Index O=C1NC(=O)C(N1)(c2ccccc2)PHENYTOI CXOFVDLJ 296.5 InChI=1/C157-41-0 1710NC1=NC(=O)N(C=N1)C2OC(CAzacitidineNMUSYJAQ 229 InChI=1/C8320-67-2 1739CCC1=CN(C(=O)NC1=O)C2CC(EdoxudineXACKNLSZY 152.5 InChI=1/C115176-29-1 1748

ALDRICH (2000CN(C)CCc2cnc1ccc(cc12)OC Indole, 3- ZSTKHSQD 69.5 InChI=1/C11019-45-0 1766COc1cc2c(cc1)ncc2CCN 1H-INDOLEJTEJPPKM 121.5 InChI=1/C1608-07-1 1767O=C2c1n(cnc1N(C)C(=O)N2CEtofylline NWPRCRWQ 158 InChI=1/C9519-37-9 1820Oc1cccc2cccnc12 8-QUINOLIMCJGNVYP 75.5 InChI=1/C9148-24-3 1847Nc1c3ccccc3nc2CCCCc12 TACRINE YLJREFDV 183.5 InChI=1/C1321-64-2 1859O=C(O)c1c(NC)ccc2oc(nc12) CalcimycinHIYAVKIYR 181.5 InChI=1/C252665-69-7 1883CC(C)NCC(O)COc1ccc(cc1C(CACEBUTOLGOEMGAFJ 121 InChI=1/C137517-30-9 1901Clc1ccc(cc1)C(=O)n3c2ccc(c AcemetaciFSQKKOOT 151.5 InChI=1/C253164-05-9 1904

Tomlin (2003) O=C(C)NP(=O)(OC)SC ACEPHATEYASYVMFA 89 InChI=1/C430560-19-1 1905Oc1ccc(NC(C)=O)cc1 ACETAMIDERZVAJINK 170 InChI=1/C8103-90-2 1906Oc2ccccc2C(=O)Oc1ccc(NC(CAcetaminosTWIIVLKQF 187 InChI=1/C1118-57-0 1907O=S(N)(=O)c1nnc(NC(C)=O)s ACETAZOL BZKPWHYZ 260.5 InChI=1/C459-66-5 1909

CC(=O)NO ACETAMIDERRUDCFGS 90.5 InChI=1/C2546-88-3 1913CCC(C(=O)NC(=O)NC(C)=O)c1AcetylphenGBPZSCQL 100.5 InChI=1/C113402-08-9 1922O=C(O)C(NC(C)=O)Cc1ccccc1L-PHENYLACBQJSKKF 172 InChI=1/C12018-61-3 1923

LIDE,DR ET AL.O=C(O)C(NC(C)=O)Cc2cnc1ccN-Acetyltr DZTHIGRZJ 189.5 InChI=1/C11218-34-4 1925O=C(O)CCCCCNC(C)=O e-AcetamidWDSCBUNM 104.5 InChI=1/C857-08-9 1928CCOc1ccc2nc3cc(N)ccc3c(N) 3,9-Acridi CIKWKGFP 226 InChI=1/C1442-16-0 1940O=C(C)Nc1ccc(cc1)CC(=O)O Actarit MROJXXOC 173 InChI=1/C118699-02-0 1941NC2=Nc1c(ncn1COCCO)C(=OACYCLOVIRMKUXAQII 255 InChI=1/C859277-89-3 1945CCN(CC)CCOC(=O)C(c1ccccc1Adiphenin JGOAIQNS 113.5 InChI=1/C250-42-0 1953O=C(N)c1ccc(cc1Cl)[N+]([O-] Aklomide GFGSZUNN 172 InChI=1/C73011-89-0 1991ClCC(=O)N(COC)c1c(cccc1CC ALACHLORXCSGPAVH 40 InChI=1/C115972-60-8 1994O=C(OC)Nc1nc2cc(ccc2n1)SCAlbendazolHXHWSAZO 209 InChI=1/C154965-21-8 1998OCc1cc(ccc1O)C(O)CNC(C)(C)Albuterol NDAUXUAQ 151 InChI=1/C118559-94-9 1999ClC3=C(Cl)C4(Cl)C2C(C1CC2C=ALDRIN QBYJBZPU 104 InChI=1/C1309-00-2 2003

SAX (1999) ClC3=C(Cl)C4(Cl)C2C(C1CC2C=ISODRIN QBYJBZPU 241 InChI=1/C1465-73-6 2003CRC (2007) Oc2ncnc1nncc12 ALLOPURI OFCNXPDA 350 InChI=1/C5315-30-0 2010

CC32CCC1C4CCCC=C4CCC1C3AllylestrenATXHVCQZ 80 InChI=1/C2432-60-0 2012O=C(O)C(C)c1ccc(NCC(=C)C)cAlminoproFPHLBGOJ 107 InChI=1/C139718-89-3 2013OC1C(O)C(O)C(CO)OC1OC .alpha.-D- HOVAGTYP 168 InChI=1/C797-30-3 2024

CRC Handbook CC(C)CCCC(C)CCCC(C)CCCC1(CVitamin E GVJHHUAW 3 InChI=1/C259-02-9 2032CC(=O)Oc2c(C)c(C)c1OC(C)( Vitamin E ZAKOWWRE -27.5 InChI=1/C358-95-7 2033CC(C)NCC(O)COc1ccccc1CC= ALPRENOLPAZJSJFMU 108 InChI=1/C113655-52-2 2035

Merck Index CN(C)c1nc(nc(n1)N(C)C)N(C) HEXAMETHUUVWYPNA 173 InChI=1/C9645-05-6 2038NC13CC2CC(CC(C1)C2)C3 AMANTADIDKNWSYNQ 180 InChI=1/C1768-94-5 2045NCCC(O)C(=O)NC3CC(N)C(OCAMIKACIN LKCWBDHB 203.5 InChI=1/C237517-28-5 2057

Merck Index CCC1(CCC(=O)NC1=O)c2ccc(NAminogluteROBVIMPU 149.5 InChI=1/C1125-84-8 2060O=C(NCC(=O)O)c1ccc(N)cc1 GLYCINE, HSMNQINE 198.5 InChI=1/C961-78-9 2063O=C2C(N)=C(C)N(C)N2c1ccccAmpyrone RLFWWDJH 109 InChI=1/C183-07-8 2066

SAX O=C2c1ncnc1N(C)C(=O)N2C THEOPHYLLZFXYFBGI 273 InChI=1/C758-55-9 2068Nc1nccs1 2-AMINOTHRAIPHJJUR 93 InChI=1/C396-50-4 2070CCN2CCCC2CNC(=O)c1cc(c(N)AMISULPRINTJOBXMM 126.5 InChI=1/C171675-85-9 2074CN(C)CC\C=C1\c3ccccc3CCc2AMITRYPTYKRMDCWKB 196.5 InChI=1/C250-48-6 2075O=C1NC(=O)NC(=O)C1(CCC(CAMOBARBIVIROVYVQC 157 InChI=1/C157-43-2 2079Clc1ccc2Oc4ccccc4N=C(c2c AmoxapineQWGDMFLQ 175.5 InChI=1/C114028-44-5 2085OC(=O)C2N3C(=O)C(NC(=O)C(Ampicillin AVKUERGK 198 InChI=1/C17177-48-2 2089CS(=O)(=O)Nc4ccc(Nc1c3ccccAmsacrineXCPGHVQE 235 InChI=1/C251264-14-3 2094OC3C(O)C(O)C(CO)OC3OCC2OAmygdalinXUCIJNAG 224.5 InChI=1/C229883-15-6 2095

Merck Index N#CC(C)(C)c1cc(cc(c1)C(C)( AnastrozolYBBLVLTV 81.5 InChI=1/C1120511-73-1 2102Merck Index (2O=C2CCC1C3CCC4=CC(=O)CCANDROSTEAEMFNILZ 158 InChI=1/C163-05-8 2108

COc1ccc(cc1)C3C(=O)c2cccc 1H-INDENEXRCFXMGQ 156.5 InChI=1/C1117-37-3 2112O=C(C)OC2C(Cc1ccc(OC)cc1 Anisomyci YKJYKKNCC 140.5 InChI=1/C122862-76-6 2114C(c1ccccc1)N(CC2=NCCN2)c3AntazolineREYFJDPC 120 InChI=1/C191-75-8 2115Oc2cccc1Cc3cccc(O)c3C(=O) 1,8-DIHYD NUZWLKWW 179 InChI=1/C11143-38-0 2117O=C2C=C(C)N(C)N2c1ccccc1 Dichloralp VEQOALNA 68 InChI=1/C1480-30-8 2121O=C2C=C(C)N(C)N2c1ccccc1 HLORALANTVEQOALNA 68 InChI=1/C1603-63-4 2121

O=C2C=C(C)N(C)N2c1ccccc1 ANTIPYRINVEQOALNA 114 InChI=1/C160-80-0 2121CCN(CC)CCCN(c1ccccc1)C2CcAPRINDINENZLBHDRP 120.5 InChI=1/C237640-71-4 2132O=C(O)CC(N)C(=O)NC(Cc1cccASPARTAMIAOZJIPT 246.5 InChI=1/C122839-47-0 2155

Merck O=C(C)Oc1ccccc1C(=O)O ACETYLSALIBSYNRYMU 135 InChI=1/C950-78-2 2157Fc1ccc(cc1)Cn4c5ccccc5nc4 AstemizoleGXDALQBW 149.1 InChI=1/C268844-77-9 2160CC(C)NCC(O)COc1ccc(cc1)CCATENOLOLMETKIMKY 147 InChI=1/C129122-68-7 2162Clc1nc(NCC)nc(NC(C)C)n1 ATRAZINE MXWJVTOO 173 InChI=1/C81912-24-9 2169

ALDRICH (2000OC(=O)C1=CC(\C=CC1=O)=C(/cAurintricarGIXWDMTZE 300 InChI=1/C24431-00-9 2172O=[N+]([O-])c3ncn(C)c3Sc2n AZATHIOPRLMEKQMAL 243.5 InChI=1/C9446-86-6 2178

CRC Handbook O=C(O)CCCCCCCC(=O)O NONANEDIBDJRBEYXG 106.5 InChI=1/C9123-99-9 2179COP(=S)(OC)SCN1N=Nc2ccccMETHYL AZCJJOSEISR 73 InChI=1/C186-50-0 2181CN(C)C3CC(C)OC(OC2C(C)C(OCAZITHROMMQTOSJVF 114 InChI=1/C383905-01-5 2182

Merck Index N(=N/c1ccccc1)\c2ccccc2 AZOBENZEDMLAVOW 68 InChI=1/C1103-33-3 2185N(=N/c1ccccc1)\c2ccccc2 DIAZENE, DDMLAVOW 68.5 InChI=1/C117082-12-1 2185NS(=O)(=O)c2cc(c(NCc1cccs1AzosemideHMEDEBAJ 219.5 InChI=1/C127589-33-9 2186Clc1ccc(cc1)C(CN)CC(=O)O BENZENEPRKPYSYYIE 207 InChI=1/C11134-47-0 2197

Patty's CC(C)(c2ccc(OCC1CO1)cc2)c 2,2-Bis(4- LCFVJGUP 10 InChI=1/C21675-54-3 2199OC(CNCCCC)c1ccc(O)cc1 Bamethan RDUHXGII 124 InChI=1/C13703-79-5 2204O=C1NC(=O)NC(=O)C1(CC)CCBARBITAL FTOAOBMC 190 InChI=1/C857-44-3 2206CC(C)NCC(O)COc1cccc2cc(ocETHANONE,ZPQPDBIH 115 InChI=1/C139552-01-7 2219CCC1(C)CC(=O)NC(=O)C1 2,6-PiperidORRZGUBH 126.5 InChI=1/C864-65-3 2220O=C(OCC)C(CCc1ccccc1)NC3 Benazepril XPCFTKFZX 148.5 InChI=1/C286541-75-5 2221O=C(O)COc3nn(Cc1ccccc1)c2Bendazac BYFMCKSP 160 InChI=1/C120187-55-7 2223

Merck Index; aCNC(=O)Oc1cccc2OC(C)(C)OcBENDIOCAXEGGRYVF 129.5 InChI=1/C122781-23-3 2224FC(F)(F)c1cc2NC(NS(=O)(=O) BENDROFLHDWIHXWE 222 InChI=1/C173-48-3 2225[O-][N+](=O)c1cc(cc([N+]([O BENEFIN SMDHCQAY 66 InChI=1/C11861-40-1 2229CC(C)N1C(=O)c2ccccc2NS1(=BENTAZONZOMSMJKL 138 InChI=1/C125057-89-0 2238Oc3ccc(CC(NC(=O)c1ccccc1)CBentiromidSPPTWHFV 241 InChI=1/C237106-97-1 2239NC(=O)c1ccccc1 BENZAMIDKXDAEFPN 129.1 InChI=1/C755-21-0 2241N=C(N)c1ccccc1 BENZAMIDIPXXJHWLD 87 InChI=1/C71670-14-0 2242Brc1cc(cc(Br)c1O)C(=O)c2c3 BenzbromaWHQCHUCQ 151 InChI=1/C13562-84-3 2243

CRC Handbookc1cc2c3ccc4cccc5ccc(cc2cc1 BENZO(A)PFMMWHPN 176.5 InChI=1/C250-32-8 2246CCN(CC)C(=O)C2CN3CCc1cc(Benzquina JSZILQVIP 131 InChI=1/C263-12-7 2252NS(=O)(=O)c3cc1c(N=C(NS1(=BENZTHIAZNDTSRXAM 231.5 InChI=1/C191-33-8 2253COc1c3ccoc3cc2OC(=O)C=CcBergapten(BGEBZHIA 188 InChI=1/C1484-20-8 2265COc1cc(cc(OC)c1OC)C2c4cc beta-PeltatHLBPOYVR 234 InChI=1/C2518-29-6 2273O=C1CCO1 BETA-PROPVEZXCJBBB -33.4 InChI=1/C357-57-8 2275C\N=C(\NCc1ccccc1)NC BethanidinNIVZHWNO 196 InChI=1/C155-73-2 2278CC(C)NCC(O)COc1ccc(cc1)C 2-PROPANONWIUTZDM 71 InChI=1/C163659-18-7 2279COc1cc(ccc1OC)CCNCC(O)COcBEVANTOLHXLAFSUP 137.5 InChI=1/C259170-23-9 2282

ALDRICH (2000CC(C)(C)c1cc(O)c(cc1O)C(C)( 2,5-Di-ter JZODKRWQ 218 InChI=1/C188-58-4 2283Merck Index Fc1ccc(cc1)S(=O)(=O)CC(C)(OBicalutamiLKJPYSCBV 192 InChI=1/C190357-06-5 2284

CN2CCc1cc6OCOc6cc1C2C5OBicucullineIYGYMKDQ 194 InChI=1/C2485-49-4 2285Merck Index OC(CCN1CCCCC1)(c2ccccc2) BIPERIDENYSXKPIUOC 101 InChI=1/C2514-65-8 2289

CC(=O)Oc1ccc(cc1)C(c2ccc(OPhenol, 4,4KHOITXIGC 133.5 InChI=1/C2603-50-9 2299

CC(C)NCC(O)COc1ccc(cc1)CO2-PROPANOLVHYCDWMU 100 InChI=1/C166722-44-9 2312Merck Oc2c(Sc1cc(Cl)cc(Cl)c1O)cc(CPhenol, 2,2JFIOVJDNO 188 InChI=1/C197-18-7 2313

CN(Cc1cc(Br)cc(Br)c1N)C2CC2-amino-3,OJGDCBLYJ 238 InChI=1/C13572-43-8 2348CC(C)C(Br)C(=O)NC(N)=O A-BROMO-ICMCCHHWT 154 InChI=1/C6496-67-3 2353Fc1ccc(cc1)C(=O)CCCN2CCC(OBromperidoRKLNONIV 155 InChI=1/C210457-90-6 2354[O-][N+](=O)C(Br)(CO)CO 1,3-PropanLVDKZNIT 131.5 InChI=1/C352-51-7 2356Clc4ccccc4C2=NCc1nnc(C)n1cBROTIZOL UMSGKTJD 213 InChI=1/C157801-81-7 2357Oc1c(Br)cc(Br)c2cccnc12 8-QuinolinoZDASUJMD 196 InChI=1/C9521-74-4 2359O=C2C(CCCC)C(=O)NC(=O)N Bucolome DVEQCIBLX 84 InChI=1/C1841-73-6 2367O=C1C=CC(=CO1)C3CCC4(O) Bufalin QEEBRPGZ 242.5 InChI=1/C2465-21-4 2370ONC(=O)Cc1ccc(OCCCC)cc1 BUFEXAMICMXJWRABV 154 InChI=1/C12438-72-4 2372O=S(N)(=O)c2cc(cc(NCCCC)c BumetanidMAEIEVLC 230.5 InChI=1/C128395-03-1 2377CC(C)(C)NCC(O)COc1ccccc1CBUNITROL VCVQSRCY 164 InChI=1/C134915-68-9 2379

Merck Index Cc2cccc(C)c2NC(=O)C1CCCC BUPIVACAILEBVLXFE 107.5 InChI=1/C12180-92-9 2380Clc1ccc(C)cc1OCC(O)CNC(C)(BUPRANOLHQIRNZOQ 221 InChI=1/C114556-46-8 2381

Merck O=S(C)(=O)OCCCCOS(C)(=O) MYLERLANCOVZYZSD 116 InChI=1/C655-98-1 2384O=C1NC(=O)NC(=O)C1(CC)C(BUTABARBIZRIHAIZY 166.5 InChI=1/C1125-40-6 2385

CRC (2007) O=C1NC(=O)NC(=O)C1(CC(C)Butalbital UZVHFVZF 138.5 InChI=1/C177-26-9 2387Nc1ccc(cc1)C(=O)OCCCC BUTYL-P- IUWVALYL 58 InChI=1/C194-25-7 2388

Merck Index O=C2c1n(C)cnc1N(C)C(=O)N CAFFEINE RYYVLZVU 238 InChI=1/C858-08-2 2424Merck Index (2O=C2c1n(C)cnc1N(C)C(=O)N Caffeine, c RYYVLZVU 238 InChI=1/C869-22-7 2424

CC2(C)C1CC(=O)C2(C)CC1 (+-)CamphDSSYKIVIO 176 InChI=1/C121368-68-3 2441CC2(C)C1CC(=O)C2(C)CC1 (1R,4R)-( DSSYKIVIO 178.8 InChI=1/C1464-49-3 2441CC2(C)C1CC(=O)C2(C)CC1 CAMPHORDSSYKIVIO 180 InChI=1/C176-22-2 2441

ALDRICH (2000CC2(C)C1CC(=O)C2(C)CC1 Bicyclo(2.2DSSYKIVIO 179 InChI=1/C1464-48-2 2441Cc2cc3c1c(cc(cc1O)CCCCC)OCCannabinolVBGLYOIF 77 InChI=1/C2521-35-7 2447O=C2OC(=O)C3(C)C1CCC(O1)Cantharidi DHZBEENL 218 InChI=1/C156-25-7 2449OC(=O)C1CCCN1C(=O)C(C)CSCAPTOPRILFAKRSMQS 106 InChI=1/C962571-86-2 2453

CRC HandbookNC(=O)N2c3ccccc3C=Cc1ccccCARBAMAZFFGPTBGB 190.2 InChI=1/C1298-46-4 2457O=C(O)CCC(=O)OC3CCC2(C)C4CarbenoxoOBZHEBDU 292.5 InChI=1/C35697-56-3 2463Oc1ccc(CC(C)(NN)C(=O)O)cc Carbidopa TZFNLOMS 208 InChI=1/C128860-95-9 2465CNC(=O)Oc1cccc2CC(C)(C)OcCARBOFURDUEPRVBV 151 InChI=1/C11563-66-2 2468

CRC (2007) O=C(NC(C)C)OCC(C)(COC(=O CarisoprodOFZCIYFFP 92 InChI=1/C178-44-4 2478O=C1NC(=O)C(F)=CN1C(=O) CARMOFUAOCCBINRV 110.5 InChI=1/C161422-45-5 2479O=C(NCCCl)N(CCCl)N=O 1,3-BIS(2 DLGOEMSE 31 InChI=1/C5154-93-8 2480O=C(O)C(C)c1ccc2c3cc(Cl)cc Carprofen PUXBGTOO 197.5 InChI=1/C153716-49-7 2483COc4ccccc4OCCNCC(O)COc2cCarvedilol OGHNVEJM 114.5 InChI=1/C272956-09-3 2487O=C(O)C=2N3C(=O)C(NC(=O)CEPHALOTXIURVHNZ 160.25 InChI=1/C1153-61-7 2513NS(=O)(=O)c1ccc(cc1)n3nc(ccCelecoxib RZEKVGVHF 158 InChI=1/C1169590-42-5 2562CCN(CC)C(=O)Nc1ccc(OCC(O)CUREA, N'-[ JOATXPAW 111 InChI=1/C256980-93-9 2563Oc4cc5CCNC(CC1CC2c3cc(OCCephaelineDTGZHCFJ 115.5 InChI=1/C2483-17-0 2564CC=3CSC2C(NC(=O)C(N)C1=CCephradin RDLPVSKM 140 InChI=1/C138821-53-3 2572

Merck Index (2O=C(O)COCCN1CCN(CC1)C(c2cCetirizine ZKLPARSL 112.5 InChI=1/C283881-51-0 2577CCCCCCCCCCCCCCCCO 1-HEXADE BXWNKGSJ 49.3 InChI=1/C136653-82-4 2581

CRC Handbook ClC(Cl)(Cl)C(O)O CHORAL H RNFNDJAI 57 InChI=1/C2302-17-0 2606

O=C(O)CCCc1ccc(cc1)N(CCCl)ChlorambucJCKYGMPE 65 InChI=1/C1305-03-3 2607Clc2ccc(NC(=N)NC(=N)NCCCCCHLORHEXIGHXZTYHSJ 134 InChI=1/C255-56-1 2612

Merck (avg) CC(=O)C2(OC(C)=O)CCC1C3CChlormadinQMBJSIBW 213 InChI=1/C2302-22-7 2613O=C1CCS(=O)(=O)C(N1C)c2cccChlormezaWEQAYVWK 116.2 InChI=1/C180-77-3 2616CCN(CC)CCCC(C)Nc1ccnc2cc(CCHLOROQUWHTVZRBI 87 InChI=1/C154-05-7 2618Oc1c(Cl)cc(Cl)c2cccnc12 8-QuinolinoWDFKMLRR 179.5 InChI=1/C9773-76-2 2621Clc1ccc(OCC(O)COC(N)=O)cc Maolate SKPLBLUEC 90 InChI=1/C1886-74-8 2623O=S(=O)(NC(=O)NCCC)c1ccc(CCHLORPRORKWGIWYC 128 InChI=1/C194-20-2 2626Clc1cc(NC(=O)OC(C)C)ccc1 CHLORPROCWJSHJJY 41 InChI=1/C1101-21-3 2627

Merck Index Clc1cc(Cl)c(Cl)nc1OP(=S)(OC CHLORPYRISBPBAQFW 42 InChI=1/C92921-88-2 2629NS(=O)(=O)c1cc(ccc1Cl)C3(OChlorthali JIVPVXMEB 239 InChI=1/C177-36-1 2631Clc1cc2NC(=O)Oc2cc1 2(3H)-BenzTZFWDZFK 191.5 InChI=1/C795-25-0 2632

LIDE,DR ET AL.C/C(C)=C/C1C(C(=O)O)C1(C)CChrysanthemXLOPRKKS 19 InChI=1/C12259-14-5 2642C/C(C)=C/C1C(C(=O)O)C1(C)CCyclopropaXLOPRKKS 41 InChI=1/C126771-11-9 2642C2C(C1=NCCN1)C2(c3ccccc3)Cifenline IPOBOOXF 103.5 InChI=1/C153267-01-9 2645OC(=O)C2N3C(=O)C(NC(=O)CCYCLACILLIHGBLNBBN 182.5 InChI=1/C13485-14-1 2646CC=2C=C(C1CCCCC1)N(O)C(=Ciclopirox SCKYRAXS 144 InChI=1/C129342-05-0 2647O=C1CCc2cc(ccc2N1)OCCCC Cilostazol RRGUKTPI 160 InChI=1/C273963-72-1 2652Cc1ncnc1CSCC\N=C(/NC#N) CIMETIDINAQIXAKUU 142 InChI=1/C151481-61-9 2654OC(C2CC1CCN2CC1C=C)c4ccnCINCHONIDKMPWYEUP 210.5 InChI=1/C1485-71-2 2655CC2(C)OC1(C)CCC2CC1 1,8-CINEOLWEEGYLXZ 1.5 InChI=1/C1470-82-6 2656ClC2(Cl)CC2c1ccc(OC(C)(C)C(CiprofibratKPSRODZR 115 InChI=1/C152214-84-3 2661COc2cc(cc1OC(=O)C=Cc12)OLimettin NXJCRELR 149 InChI=1/C1487-06-9 2673Clc1ccc(cc1)Cn3c4ccccc4nc Clemizole CJXAEXPP 167 InChI=1/C1442-52-4 2680Oc1c(I)cc(Cl)c2cccnc12 8-QuinolinoQCDFBFJG 178.5 InChI=1/C9130-26-7 2686ClCC(=O)C4(OC(=O)CC)C(C)C CLOBETASOCBGUOGMQ 196.25 InChI=1/C225122-46-7 2689ClCC(=O)C4(OC(=O)CCC)C(C) CLOBETASOFBRAWBYQ 95 InChI=1/C225122-57-0 2690Clc1ccc(cc1)NC3=CC4=Nc2cccCLOFAZIMIWDQPAMHF 211 InChI=1/C22030-63-9 2692OC(CCN(C)C)(c1ccccc1Cl)c2c ChlophediaWRCHFMBC 120 InChI=1/C1791-35-5 2693Clc1ccc(OC(C)(C)C(=O)O)cc1 2-(P-CLPH TXCGAZHT 118.5 InChI=1/C1882-09-7 2695Clc2cc(Cl)ccc2Cc1cc(ccc1O)C(Clofoctol HQVZOORK 78 InChI=1/C237693-01-9 2697CN(C)CCCN2c3ccccc3CCc1cccCHLORIMI GDLIGKIO 189.5 InChI=1/C1303-49-1 2699[O-][N+](=O)c1ccc2NC(=O)CNCLONAZEPDGBIGWXX 237.5 InChI=1/C11622-61-3 2700Clc2cccc(Cl)c2NC1=NCCN1 2-(2,6-DI GJSURZIO 130 InChI=1/C94205-90-7 2701Clc3ccccc3C1=NCC(=O)N(C)c22H-THIENO[CHBRHODL 119 InChI=1/C133671-46-4 2709Clc1ccccc1C(c2ccccc2)(c3ccc ClotrimazoVNFPBHJO 148 InChI=1/C223593-75-1 2710Oc1ccc(Cl)c2cccnc12 8-QUINOLICTQMJYWD 130 InChI=1/C9130-16-5 2715CC(CC)C(=O)OC2CCC=C3C=CCMEVASTATAJLFOPYRI 152 InChI=1/C273573-88-3 2752CN(C)C4CC5=CCC1C(CCC23CNConessine GPLGAQQ 125.5 InChI=1/C2546-06-5 2758O=C1C=C(CO1)C2CCC3(O)C4CCONVALLAHULMNSIA 238 InChI=1/C2508-75-8 2759O=C(OC)C2C(O)CCC3CN4CCc1alpha-YohiBLGXFZZN 243.5 InChI=1/C2131-03-3 2763O=C(OC)C2C(O)CCC3CN4CCc1PseudoyohBLGXFZZN 268 InChI=1/C284-37-7 2763CCOP(=S)(OCC)Oc1ccc2c(c1) COUMAPHBXNANOIC 93 InChI=1/C156-72-4 2768O=C(OC1CC(C)CC(C)(C)C1)C(OCyclandelaWZHCOOQX 56 InChI=1/C1456-59-7 2790CC(=O)Oc1ccc(cc1)C(/c2ccc( Cyclofenil GVOUFPWU 135.5 InChI=1/C22624-43-3 2795

NC1CCCCCCC1 Cycloocta HSOHBWMX -48 InChI=1/C85452-37-9 2800NS(=O)(=O)c3cc1c(NC(NS1(= 3-CyclopenBKYKPTRYD 238 InChI=1/C1742-20-1 2801NC1CCCC1 Cyclopent NISGSNTV -82.7 InChI=1/C51003-03-8 2803O=P1(NCCCO1)N(CCCl)CCCl CYCLOPHOCMSMOCZE 51.5 InChI=1/C750-18-0 2804NS(=O)(=O)c4cc1c(NC(NS1(= CYCLOTHIABOCUKUHCL 234 InChI=1/C12259-96-3 2807Cl/C(Cl)=C/C3C(C(=O)OC(C#Nalpha-CypeKAATUXNT 79.5 InChI=1/C267375-30-8 2809Cl/C(Cl)=C/C3C(C(=O)OC(C#NCYPERMETKAATUXNT 80.5 InChI=1/C252315-07-8 2809

Tomlin CDS. (2Cl\C(Cl)=C/C3C(C(=O)OC(C#NCyclopropanKAATUXNT 84 InChI=1/C271697-59-1 2809CN1CC\C(CC1)=C2\c4ccccc4CCYPROHEPJJCFRYNCJ 112.8 InChI=1/C2129-03-3 2810Clc1c(C(=O)OC)c(Cl)c(Cl)c(C( DIMETHYL NPOJQCVW 155 InChI=1/C11861-32-1 2839C#CC2(O)CCC1C3CCC4=Cc5onDanazol POZRVZJJT 225.6 InChI=1/C217230-88-5 2844

CRC HandbookOc3cccc2C(=O)c1cccc(O)c1C(9,10-AnthrQBPFLULO 193 InChI=1/C1117-10-2 2845Nc1ccc(cc1)S(=O)(=O)c2ccc(NDI(P-AMINMQJKPEGW 175.5 InChI=1/C180-08-0 2849CC(=O)C4(O)CC(OC1CC(N)C(ODAUNOMYCSTQGQHZA 208.5 InChI=1/C220830-81-3 2852N=C(N)N1Cc2ccccc2CC1 2(1H)-ISO JWPGJSVJ 279 InChI=1/C11131-64-2 2860O=C(O)CCCCCCCCC DECANOIC GHVNFZFC 31.9 InChI=1/C1334-48-5 2863CC(=O)N(O)CCCCCNC(=O)CCCDeferoxamUBQYURCV 140 InChI=1/C270-51-9 2867O=C(O)CCC(C)C1CCC2C3C(CCDEHYDROCHOHXPGWPV 237 InChI=1/C281-23-2 2869Br\C(Br)=C/C3C(C(=O)OC(C#NDELTAMETOWZREIFA 100 InChI=1/C252918-63-5 2876O=C(O)CCC(C)C2CCC1C3CCC4DEOXYCHOLKXGVEGMK 177 InChI=1/C283-44-3 2881

Merck Index (2CNCCCN2c3ccccc3CCc1cccccDesipraminHCYAFALTS 215.5 InChI=1/C158-28-6 2888Clc1ccc2NC(=O)CN=C(c2c1)c31,4-BENZDIAKPLHCDW 216.5 InChI=1/C11088-11-5 2890

Merck (2006) O=C2CCC3C4CCC1(CC)C(C=CCGestodeneSIGSPDASO 197.9 InChI=1/C260282-87-3 2892OCC(=O)C4C(C)CC3C2CCC1=CBETAMETHVWVSBHGC 217 InChI=1/C2382-67-2 2893CC(=O)OCC(=O)C2CCC1C3CCCDEOXYCORVPGRYOFK 157 InChI=1/C256-47-3 2894OCC(=O)C4(O)C(C)CC3C2CCC1BETAMETHUREBDLIC 232 InChI=1/C2378-44-9 2896

CRC (2007) Clc1ccc2c(c1)C(=NCC(=O)N2CDIAZEPAMAAOVKJBE 132 InChI=1/C1439-14-5 2908Clc1ccc2N=C(C)NS(=O)(=O)c2124-BENZTGDLBFKVLR 330.5 InChI=1/C8364-98-7 2911c1cccc2sc3ccccc3c12 DIBENZOT IYYZUPMFV 97 InChI=1/C1132-65-0 2915BrCBr DIBROMOMFJBFPHVG -52.5 InChI=1/CH74-95-3 2916

CRC HandbookCOc1c(c(Cl)ccc1Cl)C(=O)O DICAMBA IWEDIXLBF 115 InChI=1/C81918-00-9 2922N#Cc1c(Cl)cccc1Cl 2,6-DICHL YOYAIZYFC 144.5 InChI=1/C71194-65-6 2923

CRC (2007) Clc1ccc(cc1)\C(=C(/Cl)Cl)c2ccP,P'-DDE UCNVFOCB 89 InChI=1/C172-55-9 2927CRC (2007) Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(CP,P'-DDT YVGGHNCT 108.5 InChI=1/C150-29-3 2928

Oc2ccc(Cl)cc2Cc1cc(Cl)ccc1OPHENOL,2,MDNWOSOZ 177.5 InChI=1/C197-23-4 2929Clc1c(cc(cc1Cl)S(N)(=O)=O)S Dichlorop GJQPMPFPN 228.7 InChI=1/C6120-97-8 2930

Verschueren,K COP(=O)(OC)O\C=C(\Cl)Cl DICHLORV OEBRKCOS -60 InChI=1/C462-73-7 2931Oc3ncnc2c3ncn2C1CCC(CO) INOSINE, 2BXZVVICB 161.5 InChI=1/C169655-05-6 2935ClC4=C(Cl)C5(Cl)C1C(C3CC1C2DIELDRIN DFBKLUNH 175.5 InChI=1/C160-57-1 2940ClC4=C(Cl)C5(Cl)C1C(C3CC1C2ENDRIN DFBKLUNH 228 InChI=1/C172-20-8 2940O=C(N1CCN(C)CC1)N(CC)CC 1-Piperazi RCKMWOKW 48 InChI=1/C190-89-1 2944OC(CCCN1CCCCC1)(c2ccccc2)DiphenidolOGAKLTJN 104.5 InChI=1/C2972-02-1 2947

MERCK INDEX CCCCC(=O)OCC(=O)C4C(C)CC3DiflucortolHHJIUUAM 195 InChI=1/C259198-70-8 2950OC(=O)c1cc(ccc1O)c2ccc(F)c DIFLUNISAHUPFGZXO 215.5 InChI=1/C122494-42-4 2951O=C1C=C(CO1)C3CCC4(O)C5CDIGITOXINWDJUZGPO 255.5 InChI=1/C471-63-6 2953

COc1ccc2CC5N(C)CCC43C5CCDihydrocodRBOXVHNM 112.5 InChI=1/C1125-28-0 2955CN(C)CCN1c3ccccc3SC(C(OC(DILTIAZEMHSUGRBWQ 209.75 InChI=1/C233286-22-5 2967CN(C)Cc3c(ccc1c3OC(=C(C)C DIMEFLINEZXFQRFXL 109.5 InChI=1/C21165-48-6 2969O=C1NC(=O)C(C)(C)O1 2,4-OxazoliJYJFNDQBE 76.5 InChI=1/C5695-53-4 2972COP(=S)(OC)SCC(=O)NC DIMETHOAMCWXGJIT 52 InChI=1/C560-51-5 2973O=[N+]([O-])c1cnc(C)n1C 1,2-DIMETIBXPYPUJP 138.5 InChI=1/C5551-92-8 2980O=C(N(CCCC)CCN(CCCC)C(= DimorpholHZTMGWSB 41.5 InChI=1/C2119-48-2 2981Cc1c(cc(cc1[N+](=O)[O-])[N+BENZAMIDEZEFNOZRL 177 InChI=1/C8148-01-6 2982CCCCCCCCNCCCCCCCC 1-OctanamiLAWOZCWG 35.5 InChI=1/C11120-48-5 2984

LIDE, DR ET AL.CN(C)CCOC(c1ccccc1)c2cccccDiphenhydrZZVUWRFH 168 InChI=1/C1147-24-0 2989CN(C)CCOC(c1ccccc1)c2cccccDIPHENHY ZZVUWRFH 168 InChI=1/C158-73-1 2989

Merck Index O=C(c1ccccc1)c2ccccc2 BENZOPHERWCCWEUU 48.5 InChI=1/C1119-61-9 2991OCCN(CCO)c2nc1c(nc(nc1c( DipyridamoIZEKFCXS 163 InChI=1/C258-32-2 2997CC(C)N(CCC(c1ccccn1)(c2ccc DISOPYRA UVTNFZQI 94.75 InChI=1/C2 9/5/3737 3002

CRC HandbookCCN(CC)C(=S)SSC(=S)N(CC)CCDISULFIRA AUZONCFQ 71.5 InChI=1/C197-77-8 3005CCSCCSP(=S)(OCC)OCC DISULFOT DOFZAZXD -25 InChI=1/C8298-04-4 3006Clc1ccc(NC(=O)N(C)C)cc1Cl DIURON XMTQQYYK 158 InChI=1/C9330-54-1 3008Oc1ccc(CC(C)(N)C(=O)O)cc1 Metyrosin NHTGHBAR 312.5 InChI=1/C1672-87-7 3013Clc4cc5NC(=O)N(C3CCN(CCCDOMPERIDFGXWKSZF 242.5 InChI=1/C257808-66-9 3039FC1=CN(C(=O)NC1=O)C2OC(CDoxifluridi ZWAOHEXO 190 InChI=1/C9 9/5/3094 3047

Merck Index (2O=C3CC4CCC2C(CCC1(C)C2CCDROMOSTIKXILDNPC 151 InChI=1/C258-19-5 3055Fc1ccc(cc1)C(=O)CCCN2CC= DROPERID RMEDXOLN 145.75 InChI=1/C2548-73-2 3056OC(CN1CCN(CC1)c2ccccc2)C Dropropizi PTVWPYVO 105 InChI=1/C117692-31-8 3057CCC(=O)OC3CCC2C4CCC1CC(=DromostanoNOTIQUSP 128 InChI=1/C2521-12-0 3058

CRC (2007) CC(=O)C2CCC1C3C=CC4=CC(=Dydrogest JGMOKGBV 170 InChI=1/C2152-62-5 3069OCC(O)Cn2cnc1c2C(=O)N(C) DyphyllineKSCFJBIXM 161.5 InChI=1/C1479-18-5 3070OC1=C(CCCCCCCCCCC)C(=O) Embelin IRSFLDGT 142.5 InChI=1/C1550-24-3 3105Cc3cc2C(=O)c1cc(O)cc(O)c1CEMODIN RHMXXJGY 257 InChI=1/C1518-82-1 3107CCOC1=C(C=NN(C)C1=O)N2CEmorfazonURJQOOIS 90 InChI=1/C138957-41-4 3108ClC2=C(Cl)C3(Cl)C1COS(=O)OCENDOSULFRDYMFSUJ 106 InChI=1/C9115-29-7 3111OC(=O)C2C(C1CCC2O1)C(=O)ENDOTHALGXEKYRXV 144 InChI=1/C8145-73-3 3112O=C(O)C2=CN(CC)c1nc(c(F) ENOXACINIDYZIJYBM 222 InChI=1/C174011-58-8 3116O=C(O)C4(C)CCC5(C)CCC3(C)EnoxoloneMPDGHEJM 296 InChI=1/C3471-53-4 3117NC(Cc1ccccc1)C(O)C(=O)NC( Ubenimex VGGGPCQE 234.5 InChI=1/C158970-76-6 3125CC(C)CCCC(C)C1CCC2C3CCC4COPROSTAQYIXCDOBO 102 InChI=1/C2360-68-9 3127CC(C)CCCC(C)C1CCC2C3CCC4Cholestan-3QYIXCDOBO 141.5 InChI=1/C280-97-7 3127CC(C)CCCC(C)C1CCC2C3CCC4Cholestan-3QYIXCDOBO 185.5 InChI=1/C2516-95-0 3127Cc1cc(nc(n1)n2nc(C)cc2OC)OPYRIMIDINRHAXSHUQ 91 InChI=1/C118694-40-1 3129OC2CCC1C3CCC4CC5SC5CC4(EpitiostanoOBMLHUPN 127 InChI=1/C12363-58-8 3130Oc3cc4CC=C1C(CCC2(C)C(=O)Equilin WKRLQDKE 239 InChI=1/C1474-86-2 3134CC(CO)NC(=O)C4C=C1C(Cc2cnErgonovineWVVSZNPY 162 InChI=1/C160-79-7 3137

CRC (2007) CN(C)C3CC(C)OC(OC2C(C)C(OCERYTHROMULGZDMOV 191 InChI=1/C3114-07-8 3140CRC (2007) O=C(OCC)CCC(=O)OC3C(CC(C)ErythromycNSYZCCDS 222 InChI=1/C41264-62-6 3141

Clc2cc3C(=NCc1nncn1c3cc2)Estazolam CDCHDCWJ 228.5 InChI=1/C129975-16-4 3146O=C(Oc3cc4CCC2C(CCC1(C)C2Estradiol UYIFTLBW 196 InChI=1/C250-50-0 3147

Oc3cc4CCC2C(CCC1(C)C2CC(ESTRIOL PROQIPRR 282 InChI=1/C150-27-1 3154Clc1c(ccc(OCC(=O)O)c1Cl)C( Ethacrynic AVOLMBLB 122.5 InChI=1/C158-54-8 3163

CRC HandbookCCC(CO)NCCNC(CO)CC EthambutoAEUTYOVW 89 InChI=1/C174-55-5 3164CCOc1ccc(cc1OCC)Cc3nccc2cEthaverineZOWYFYXT 100 InChI=1/C2486-47-5 3165CCOc1ccccc1C(N)=O Benzamide,SBNKFTQS 133 InChI=1/C9938-73-8 3167

Merck Index CCOCC DIETHYL E RTZKZFJDL -116.3 InChI=1/C460-29-7 3168O=C(N)OC1(CCCCC1)C#C CyclohexanGXRZIMHK 96 InChI=1/C9126-52-3 3169Oc3cc4CCC2C(CCC1(C)C2CCCETHINYL E BFPYWIDH 183 InChI=1/C257-63-6 3170S=P(SCSP(=S)(OCC)OCC)(OCCETHION RIZMRRKB -13 InChI=1/C9563-12-2 3171O=C2CCC3(C)C4CCC1(C)C(CCEthisteron CHNXZKVN 272 InChI=1/C2434-03-7 3172CCCSP(=O)(SCCC)OCC O-ETHYL S VJYFKVYY -13 InChI=1/C813194-48-4 3173CCN(CC)C(C)CN1c3ccccc3Sc2ETHOPROPCDOZDBSB 64.5 InChI=1/C1522-00-9 3174

Merck Index CC1(CC)CC(=O)NC1=O ETHOSUXI HAPOVYFO 65 InChI=1/C777-67-8 3175O=C2NC(c1ccccc1)C(=O)N2C 2,4-IMIDAZSZQIFWWU 94 InChI=1/C186-35-1 3176NS(=O)(=O)c1nc2ccc(cc2s1) ETHOXYZOOUZWUKMC 189 InChI=1/C9452-35-7 3179Fc3ccccc3C2=NC(C(=O)Nc1ccEthyl Lofla CUCHJCMW 193.5 InChI=1/C129177-84-2 3183

Merck Index (2CC32CCC1C4CCCC=C4CCC1C3EthylestrenAOXRBFRF 77 InChI=1/C2965-90-2 3186OC(CNCC)c1cc(O)ccc1 Etilefrin SQVIAVUS 147.5 InChI=1/C1709-55-7 3190O=C(O)CC3(CC)OCCc2c3nc1c(Etodolac NNYBQONX 146.5 InChI=1/C141340-25-4 3192O=C4c1ccccc1C(Nc3ccc(OCC EtomidolinITIONVBQ 106.5 InChI=1/C221590-92-1 3193COc1cc(cc(OC)c1O)C5c2cc7 ETOPSIDE VJJPUSNT 243.5 InChI=1/C233419-42-0 3194NC(=O)c1ccccc1OCCCCCC Exalamide CKSJXOVL 71 InChI=1/C153370-90-4 3199N/C(N)=N/c1nc(CSCCC(/N)=NFAMOTIDI XUFQPHAN 163.5 InChI=1/C876824-35-6 3208

Merck Index NC(=O)OCC(COC(N)=O)c1cccFelbamateWKGXYQFO 152 InChI=1/C125451-15-4 3214OC(=O)Cc1ccc(cc1)c2ccccc2 [1,1'-BIPH QRZAKQDH 160.5 InChI=1/C15728-52-9 3215O=C(CCC(=O)O)c1ccc(cc1)c2cFENBUFENZPAKPRAI 186 InChI=1/C136330-85-5 3218

Merck Index (2O=C(c1ccc(Cl)cc1)c2ccc(OC(CFenofibrat YMTINGFK 80.5 InChI=1/C249562-28-9 3222CCC(=O)N(C2CCN(CCc1ccccc1FENTANYL PJMPHNIQ 87.5 InChI=1/C2437-38-7 3228Cc1cc(ccc1SC)OP(=S)(OC)OC FENTHIONPNVJTZOF 7.5 InChI=1/C155-38-9 3229Clc1ccc(cc1)C(C(C)C)C(=O)OCESFENVALENYPJDWWK 59.5 InChI=1/C266230-04-4 3230

Tomlin,C (2003Clc1ccc(cc1)C(C(C)C)C(=O)OCFENVALERANYPJDWWK 46.6 InChI=1/C251630-58-1 3230Merck Index (2O=C(O)C(C)(C)c1ccc(cc1)C(O FexofenadiRWTNPBWL 196 InChI=1/C383799-24-0 3231

CC(C)(C)NC(=O)C1CCC2C3CC PROSCAR DBEPLOCGE 253 InChI=1/C298319-26-7 3233FC(F)(F)S(=O)c1c(N)n(nc1C#N)Fipronil ZOCSXAVN 200.5 InChI=1/C1120068-37-3 3235FC(F)(F)COc2cc(C(=O)NCC1CCFLECANIDEDJBNUMBK 146 InChI=1/C154143-55-4 3239OCC(O)COC(=O)c3ccccc3Nc1ccFloctafeni APQPGQGA 179.5 InChI=1/C223779-99-9 3243O=C(CC)c1c(O)cc(O)cc1O 1-PropanonPTHLEKAN 175.5 InChI=1/C92295-58-1 3245

Merck Index (aFC1=CN(C(=O)NC1=O)C2CC(OFLOXURIDIODKNJVUH 150.5 InChI=1/C950-91-9 3246Merck Index OC(Cn1cncn1)(Cn2cncn2)c3ccFLUCONAZRFHAOTPX 139 InChI=1/C186386-73-4 3248

FC1=CNC(=O)N=C1N FLUCYTOSIXRECTZIEB 296 InChI=1/C42022-85-7 3249Nc3nc(F)nc2c3ncn2C1OC(COFludarabinHBUBKKRH 260 InChI=1/C121679-14-1 3250Fc3ccccc3C2=NCC(=O)N(C)c1cFLUDIAZE ROYOYTLG 296 InChI=1/C13900-31-0 3252FC(F)(F)c1cc(ccc1)Nc2ccccc2 FLUFENAMILPEPZBJOK 133.5 InChI=1/C1530-78-9 3254O=C(OCC)c3ncn2c3CN(C)C(=OFLUMAZENOFBIFZUFA 202 InChI=1/C178755-81-4 3256[O-][N+](=O)c1ccc2c(c1)C(= FLUNITRA PPTYJKAX 166.5 InChI=1/C11622-62-4 3263

OCC(=O)C54OC(C)(C)OC5CC3CFLUOCINOLFEBLZLNTK 265.5 InChI=1/C267-73-2 3264CC(=O)OCC(=O)C54OC(C)(C)OFLUOCINOWJOHZNCJ 309 InChI=1/C2356-12-7 3265CC(=O)C4(O)CCC3C2CC(C)C1=FLUOROMEFAOZLTXF 297 InChI=1/C2426-13-1 3267FC1=CNC(=O)NC1=O 5-FLUOROUGHASVSIN 283 InChI=1/C451-21-8 3268OCC(=O)C4(O)CCC3C2CC(F)CPREDNISOLMYYIMZRZ 264.5 InChI=1/C2338-95-4 3273

Merck Index OCC(=O)C4(O)CCC3C2CC(F)CFLUPREDNMYYIMZRZ 210.5 InChI=1/C253-34-9 3273Fc3ccccc3C2=NCC(=O)N(CCN(Flurazepa SAADBVWG 79.5 InChI=1/C217617-23-1 3276Fc2cc(ccc2c1ccccc1)C(C)C(= FLURBIPROSYTBZMRG 110.5 InChI=1/C15104-49-4 3277O=C(CN(C)Cc2c(NC(=O)c1cccFominobenKSNNEUZO 122.75 InChI=1/C218053-31-1 3290O=P(O)(O)C1OC1C FosfomycinYMDXZJFXQ 94 InChI=1/C323155-02-4 3299OP(=O)(O)Oc1ccccc1C(=O)O Fosfosal FFKUDWZI 169 InChI=1/C76064-83-1 3300OC1C(O)C(O)COC1(O)CO D-TAGATOLKDRXBCS 134.5 InChI=1/C687-81-0 3308NS(=O)(=O)c2cc(c(NCc1ccco1FUROSEMIZZUFCTLC 295 InChI=1/C154-31-9 3322OC(=O)c1ccc(CCCC)cn1 2-PyridinecDGMPVYSX 97 InChI=1/C1536-69-6 3324BrC2CC(Cn1cncn1)(OC2)c3cccBROMUCONHJJVPARKX 84 InChI=1/C1116255-48-2 3326

Merck Index (2OC1C=CC42CCN(C)Cc3ccc(OCGalanthamASUTZQLV 126.5 InChI=1/C1357-70-0 3331CRC Handbook O=C(O)C(C)(C)CCCOc1cc(C)ccGemfibroziHEMJJKBW 62 InChI=1/C125812-30-0 3345

OC(=O)c1cc(O)ccc1O 2,5-DIHYD WXTMDXOM 199.5 InChI=1/C7490-79-9 3350CC(=O)C2(OC(=O)CCCCC)CC GestonoronXURCMZMF 123.5 InChI=1/C21253-28-7 3352OCC(O)COC(=O)c3ccccc3Nc1cGlafenine GWOFUCIG 169.5 InChI=1/C13820-67-5 3355Cc1ccc(cc1)S(=O)(=O)NC(= Gliclazide BOVGTQGA 181 InChI=1/C121187-98-4 3356

Merck Index CCC1(CCC(=O)NC1=O)c2cccc2-ETHYL-2 JMBQKKAJ 84 InChI=1/C177-21-4 3367O=C(NC1CCCCC1)NS(=O)(=O)cGlyburide ZNNLBTZK 169 InChI=1/C210238-21-8 3368O=S(=O)(Nc1nnc(s1)C(C)(C)CGlybuzole NMWQEPCL 163 InChI=1/C11492-02-0 3369

ChemFinder OnO=C(O)C7OC(OC6C(O)C(O)C(OAmmonium gLPLVUJXQ 209 InChI=1/C453956-04-0 3375OC(=O)CNCP(=O)(O)O GLYPHOSPXDDAORKB 189.5 InChI=1/C31071-83-6 3376O=C2c3c(OC12C(=CC(=O)CC1CGRISEOFULDDUHZTYC 220 InChI=1/C1126-07-8 3392CC(C)c1ccc(C)c2ccc(C)c2c1 Azulene, 1,FWKQNCXZ 31.5 InChI=1/C1489-84-9 3395

Merck Index OCC(O)COc1ccccc1OC 1,2-PropanHSRJKNPTN 78.5 InChI=1/C193-14-1 3396Clc1cccc(Cl)c1CC(=O)NC(=N) GuanfacineINJOMKTZ 226 InChI=1/C929110-47-2 3399

CRC HandbookN=C(N)N GUANIDIN ZRALSGWE 50 InChI=1/CH113-00-8 3400Fc1ccc(cc1)C(=O)CCCN2CCC(OHALOPERI LNEPOXFFQ 151.5 InChI=1/C252-86-8 3438Clc1cc(OCC#CI)c(Cl)cc1Cl HaloproginCTETYYAZB 113.5 InChI=1/C9777-11-7 3440BrC(Cl)C(F)(F)F HALOTHANBCQZXOMG -118 InChI=1/C2151-67-7 3441O=C5CC2C(CCC1CC(O)CCC12CHecogeninQOLRLLFJM 266.5 InChI=1/C2467-55-0 3449ClC2=C(Cl)C3(Cl)C1C=CC(Cl)C1HEPTACHLFRCCEHPW 95.5 InChI=1/C176-44-8 3463

ALDRICH (2000CC(C)(O)CCCC(N)C HeptaminolLREQLEBV 166 InChI=1/C8543-15-7 3464COc1ccc(cc1O)C3CC(=O)c2c(HESPERETIAIONOLUJ 227.5 InChI=1/C1520-33-2 3467COc1ccc(cc1O)C2CC(=O)c3c(HesperidinQUQPHWDT 262 InChI=1/C2520-26-3 3468OC(=O)C1N2C(=O)C(C2SC1(C)Hetacillin DXVUYOAE 190 InChI=1/C13511-16-8 3470Clc2c(Cc1c(O)c(Cl)cc(Cl)c1Cl)HEXACHLOACGUYXCX 166.5 InChI=1/C170-30-4 3472Oc1ccc(cc1)C(CC)C(CC)c2ccc(Hexestrol PBBGSZCB 186.5 InChI=1/C184-16-2 3480O=C1NC(=O)N(C)C(=O)C1(C) HEXABARITUYXAWHW 146.5 InChI=1/C156-29-1 3482CN3C1CCC3CC(C1)OC(=O)C(OHOMATROPZTVIKZXZY 99.5 InChI=1/C187-00-3 3497CCN(CC)CCNc1ccc(CO)c2Sc3cHycanthonMFZWMTSU 101.9 InChI=1/C23105-97-3 3508

NNc2nncc1ccccc12 HYDRALAZIRPTUSVTU 172.5 InChI=1/C886-54-4 3511NS(=O)(=O)c2cc1c(NCNS1(=OHYDROCHLJZUFKLXOE 274 InChI=1/C758-93-5 3513CN1Cc2c(OC)c3OCOc3cc2CC HydrocotarXXANNZJIZ 56 InChI=1/C1550-10-7 3520FC(F)(F)c1cc2NCNS(=O)(=O)cHYDROFLUDMDGGSIA 270.5 InChI=1/C8135-09-1 3521

Merck O=C1CCC3C2Cc5ccc(O)c4OC1HYDROMOWVLOADHC 266.5 InChI=1/C1466-99-9 3522COc1cc2c(cc1)nccc2C(O)C4 HydroquiniLJOQGZAC 168.5 InChI=1/C21435-55-8 3523

ALDRICH (2000COc1cc2c(cc1)nccc2C(O)C4 HydroquiniLJOQGZAC 278 InChI=1/C21476-98-8 3523LIDE,DR ET AL Oc1ccc(CC(C)N)cc1 p-Hydroxy GIKNHHRF 125.5 InChI=1/C9103-86-6 3525

Oc1ccc(CC(C)N)cc1 PHENOL, 4-GIKNHHRF 125.5 InChI=1/C91518-86-1 3525CCN(CCO)CCCC(C)Nc1ccnc2ccHydroxychlXXSMGPRM 90 InChI=1/C1118-42-3 3526NC(=O)NO HYDROXYUVSNHCAUR 141 InChI=1/CH127-07-1 3530CN3C1CCC3CC(C1)OC(=O)C(CHyoscyamiRKUNBYIT 108.5 InChI=1/C1101-31-5 3534CN3C1CCC3CC(C1)OC(=O)C(CATROPINE RKUNBYIT 118.5 InChI=1/C151-55-8 3534O=C(Nc1c(C)cccc1C)CN(CC)CLIDOCAINENNJVILVZ 68.5 InChI=1/C1137-58-6 3548CC(=O)OCC(=O)C4(O)C(C)CC3BETAMETHAKUJBENL 232 InChI=1/C2987-24-6 3552CC(=O)OCC(=O)C4(O)C(C)CC3DEXAMETHAKUJBENL 263 InChI=1/C21177-87-3 3552OC(CO)COCCCCCCCCCCCCCC1,2-PropaneOGBUMNBN 70.5 InChI=1/C2544-62-7 3553IC1=CN(C(=O)NC1=O)C2CC(OURIDINE, 2XQFRJNBW 263 InChI=1/C954-42-2 3559OC(C(C)N1CCC(CC1)Cc2ccccc2Ifenprodil UYNVMODN 114 InChI=1/C223210-56-2 3561O=P1(NCCCl)OCCCN1CCCl IFOSFAMIDHOMGKSMU 40 InChI=1/C73778-73-2 3562CN(C)CCCN2c3ccccc3CCc1cccIMIPRAMI BCGWQEUP 174.5 InChI=1/C150-49-7 3568NS(=O)(=O)c1cc(ccc1Cl)C(= IndapamidNDDAHWYS 161 InChI=1/C126807-65-8 3574

ALDRICH (2000OCc2cnc1ccccc12 Indole-3-caIVYPNXXA 97.5 InChI=1/C9700-06-1 3581Clc1ccc(cc1)C(=O)n3c2ccc(c INDOMETHCGIGDMFJ 158 InChI=1/C153-86-1 3584O=C(O)C(C)c1ccc(cc1)N2Cc3 BENZENEACERJMIEHBS 213.5 InChI=1/C131842-01-0 3587O=C(OC6C(OC(=O)c1cccnc1)CInositol Ni MFZCIDXO 254.6 InChI=1/C4 11/2/6556 3589O=C(C)Nc1c(I)c(c(I)c(CNC(C) Iodamide VVDGWALA 255 InChI=1/C1440-58-4 3592ICC(N)=O IODOACETPGLTVOMI 94.5 InChI=1/C2144-48-9 3596Oc1c(I)cc(I)c2cccnc12 8-QuinolinoUXZFQZAN 210 InChI=1/C983-73-8 3597OCC(O)CNC(=O)c1c(I)c(N(CC(IOHEXOL NTHXOOBQ 177 InChI=1/C166108-95-0 3599Ic1cc(I)c(N)c(I)c1CC(CC)C(=O Iopanoic acOIRFJRBS 155.2 InChI=1/C196-83-3 3604O=C(O)CCc2cnc1ccccc12 1H-INDOLEGOLXRNDW 134.5 InChI=1/C1830-96-6 3613

Merck Index CCC3(O)C=4C=C5c6nc7ccc(OIrinotecan UWKQSNNF 222.5 InChI=1/C397682-44-5 3619Nc1nc(nc(N)n1)c2cc(Cl)ccc2C2',5'-DIC ATCGGEJZ 268.5 InChI=1/C957381-26-7 3621CC(C)CN1c2ncnc2C(=O)N(C) 1H-PURINEAPIXJSLKI 200.5 InChI=1/C128822-58-4 3627FC(F)(F)C(Cl)OC(F)F ISOFLURANPIWKPBJCK 48.5 InChI=1/C326675-46-7 3631O=C(NN)c1ccncc1 ISONIAZID QRXWMOHM 171.4 InChI=1/C654-85-3 3635O=C(O)C1CCNCC1 ISONIPECOSRJOCJYGO 336 InChI=1/C6498-94-2 3641CC(C)O ISOPROPA KFZMGEQA -89.5 InChI=1/C367-63-0 3644CC(C)C=2C(=O)N(c1ccccc1)N 3H-PYRAZOLPXWLVJLK 103 InChI=1/C1479-92-5 3646

LIDE,DR ET AL.Oc1ccc(cc1O)C(O)CNC(C)C Isoprotere JWZZKOKV 153.5 InChI=1/C1949-36-0 3647Oc1ccc(cc1O)C(O)CNC(C)C 1,2-BenzeneJWZZKOKV 170.5 InChI=1/C17683-59-2 3647[O-][N+](=O)OC2COC1C2OCC1D-GLUCITOLMOYKHGMN 70 InChI=1/C687-33-2 3648

LIDE,DR ET AL.CN(C)C(C)CN1c3ccccc3Sc2cc ProthipendOQJBSDFF 110 InChI=1/C11225-65-6 3649Oc1ccc(cc1)C(O)C(C)NC(C)COIsoxsuprin BMUKKTUH 103 InChI=1/C1395-28-8 3651

Oc1cccc2c1C(=O)C=CC2=O 5-HYDROXKQPYUDDG 155 InChI=1/C1481-39-0 3674CNC1(CCCCC1=O)c2ccccc2Cl KETAMINEYQEZLKZA 92.5 InChI=1/C16740-88-1 3689Fc1ccc(cc1)C(=O)C4CCN(CCNKetanserinFPCCSQOG 231 InChI=1/C274050-98-9 3690CC(=O)N1CCN(CC1)c2ccc(cc2)PIPERAZINEXMAYWYJO 146 InChI=1/C265277-42-1 3691CC(C(=O)O)c1cccc(c1)C(=O)c KETOPROFDKYWVDOD 94 InChI=1/C122071-15-4 3693O=C(O)C1CCn2c(ccc12)C(=O)Ketorolac OZWKMVRB 160.5 InChI=1/C174103-06-3 3694CN1CC/C(CC1)=C3\c4ccccc4CKetotifen ZCVMWBY 152.5 InChI=1/C134580-13-7 3695n1cnc3ncnc3c1NCc2ccco2 Kinetin QANMHLXA 266.5 InChI=1/C1525-79-1 3698

CRC Handbook O=C1C=C(CO)OC=C1O 4H-PYRAN-BEJNERDR 153.5 InChI=1/C6501-30-4 3708O=C(O)c1cc(O)c2ccccc2n1 Kynurenic HCZHHEIF 282.5 InChI=1/C1492-27-3 3712OC(Cc1ccccc1)C(=O)O BenzenepropVOXXWSYK 98 InChI=1/C9828-01-3 3715NC(C(=O)O)c1ccccc1 BENZENEACEZGUNAGUH 290 InChI=1/C8 6/5/2835 3732O=C(N)c1cc(ccc1O)C(O)CNC(LABETALOLSGUAFYQX 188 InChI=1/C136894-69-6 3734O=C(O)CCCCCCCCCCC DODECANOIPOULHZVO 43.2 InChI=1/C1143-07-7 3756

Merck Index Cc2oncc2C(=O)Nc1ccc(cc1)C(FLeflunomidVHOGYURT 166.5 InChI=1/C175706-12-6 3762Merck Index N#Cc1ccc(cc1)C(c2ccc(C#N)cLetrozole HPJKCIUC 182 InChI=1/C1112809-51-5 3765Merck Index (1Oc2ccc3CC1C4CCCCC4(CCN1LevallorphaOZYUPQUC 177 InChI=1/C171-82-9 3775Merck Index (2CC(=O)NCC1OC(=O)N(C1)c2ccLinezolid TYZROVQL 182 InChI=1/C1165800-03-3 3792

CN2C(CCCC2CC(O)c1ccccc1)CLOBELINE MXYUKLIL 130.5 InChI=1/C290-69-7 3808ALDRICH (2000CN2C(CCCC2CC(O)c1ccccc1)CPentamidinMXYUKLIL 191 InChI=1/C2140-64-7 3808

Clc1ccc(cc1)C(=O)CN(C)CCCNLofeprami SAPNXPWP 105 InChI=1/C223047-25-8 3810O=C(O)C2=CN(CC)c1c(F)c(c( LOMEFLOXZEKZLJVOY 239.75 InChI=1/C198079-51-7 3811

CRC Handbook O=C(NC1CCCCC1)N(CCCl)N= 1-(2-ChloroGQYIWUVL 90 InChI=1/C913010-47-4 3813Clc3cc4CCc1cccnc1C(=C2/CCLORATADI JCCNYMKQ 135 InChI=1/C279794-75-5 3820Clc3ccccc3C2=NC(O)C(=O)Nc1LORAZEPA DIWRORZW 167 InChI=1/C1846-49-1 3821OCc4c(Cl)nc(CCCC)n4Cc1ccc(Losartan PSIFNNKU 184 InChI=1/C2114798-26-4 3824CN1CCN(CC1)C3=Nc4ccccc4OcLOXAPINE XJGVXQDU 109.5 InChI=1/C1 10/2/1977 3827OC2C=C4CCN3Cc1cc5OCOc5cLycorine XGVJWXAY 280 InChI=1/C1476-28-8 3840CCN(CC)C(=O)C4C=C1C(Cc2cnLSD VAYOSLLFU 82.5 InChI=1/C250-37-3 3843CCOC(=O)CC(SP(=S)(OC)OC)CMALATHIOJXSJBGJIG 2.8 InChI=1/C1121-75-5 3864CNCCCC24CCC(c1ccccc12)c3cMaprotilin QSLMDECM 93 InChI=1/C210262-69-8 3871

Merck 2001 Clc1ccc(cc1)C4(O)c2ccccc2 Mazindol ZPXSCAKF 198.5 InChI=1/C122232-71-9 3880O=C2CC(C)=NN2c1ccccc1 NorphenazQELUYTUM 129 InChI=1/C189-25-8 3881O=C(OC)Nc1nc2cc(ccc2n1)C(MEBENDAZOPXLLQIJ 288.5 InChI=1/C131431-39-7 3890ClCCN(C)CCCl Mechloret HAWPXGHA -60 InChI=1/C551-75-2 3893Clc2ccc(C)c(Cl)c2Nc1ccccc1CMECLOFENSBDNJUWA 257 InChI=1/C1644-62-2 3897O=C(OC)C(N)CS MecysteineMCYHPZGU 140.5 InChI=1/C418598-63-5 3900

Aldrich (2000) CC(=O)C2(OC(C)=O)CCC1C3CMedroxyproPSGAAPLE 206.5 InChI=1/C271-58-9 3902CC(=O)C3CCC4C2CC(C)C1=CCMedrysoneGZENKSOD 156.5 InChI=1/C22668-66-8 3903O=C(O)c2ccccc2Nc1cccc(C)c MEFENAMIHYYBABOK 230.5 InChI=1/C161-68-7 3904CC(=O)C2(OC(C)=O)CCC1C3CMEGESTRORQZAXGRLV 214 InChI=1/C2595-33-5 3908OC(C(O)CNC)C(O)C(O)CO D-Glucitol MBBZMMP 128.5 InChI=1/C76284-40-8 3909CC13CC2(C)CC(N)(C1)CC(C2) 1-AMINOABUGYDGFZ 258 InChI=1/C119982-08-2 3914O=C2C=C(C)C(=O)c1ccccc12 2-METHYL MJVAVZPD 107 InChI=1/C158-27-5 3915CN1CCC(CC1)(C(=O)OCC)c2ccDEMEROL XADCESSV 270 InChI=1/C157-42-1 3918

Merck Index CCC1(NC(=O)N(C)C1=O)c2cccMEPHENYTGMHKMTDV 136.5 InChI=1/C150-12-4 3920O=C(Nc1c(C)cccc1C)C2CCCC 2-PIPERID INWLQCZO 150.5 InChI=1/C196-88-8 3922OCC(=O)C4(O)C(C)CC3C2CCCMeprednisPIDANAQU 202.5 InChI=1/C21247-42-3 3923

Merck Index (2O=C(N)OCC(C)(COC(=O)N)CCMEPROBA NPPQSCR 105 InChI=1/C957-53-4 3924c3ccc4Sc5ccccc5N(CC2CN1C MequitazinHOKDBMAJ 130.5 InChI=1/C229216-28-2 3926OC(=O)c1cc(N)ccc1O Benzoic acKBOPZPXV 283 InChI=1/C789-57-6 3933

Merck Index COc1c(cc(cc1OC)CCN)OC MESCALIN RHCSKNNO 35.5 InChI=1/C154-04-6 3934O=C3CC4CCC2C(CCC1(C)C2CCMestanoloWYZDXEKU 192.5 InChI=1/C2521-11-9 3937COc3cc4CCC2C(CCC1(C)C2CCMestranol IMSSROKU 150.5 InChI=1/C272-33-3 3938Oc1cc(cc(O)c1)C(O)CNC(C)C MetaproteLMOINURA 100 InChI=1/C1586-06-1 3944OC(c1cc(O)ccc1)C(C)N METARAMIWXFIGDLSS 107.5 InChI=1/C954-49-9 3945

Aldrich (1998) N=C(N)NC(=N)N(C)C Metformin XZWYZXLI 224.5 InChI=1/C41115-70-4 3949Merck Index (2C=C(C)C(=O)O METHACRYLCERQOIWH 16 InChI=1/C479-41-4 3951CRC (2007) CCC(=O)C(CC(C)N(C)C)(c1ccc METHADOUSSIQXCV 99.5 InChI=1/C276-99-3 3953

NP(=O)(OC)SC METHAMIDNNKVPIKM 46 InChI=1/C210265-92-6 3954O=C1NC(=O)N(C)C(=O)C1(CCMETHARBIFWJKNZON 150.5 InChI=1/C950-11-3 3957CN1N=C(S\C1=N/C(C)=O)S(= METHAZOLFLOSMHQX 213.5 InChI=1/C5554-57-4 3958

CRC HandbookNC(=O)OCC(O)COc1ccccc1OC1,2-PROPAGNXFOGHN 93 InChI=1/C1532-03-6 3964COc1c3occc3cc2C=CC(=O)OcMethoxsalQXKHYNVA 148 InChI=1/C1298-81-7 3971COc1ccc(cc1)C(c2ccc(OC)cc2)CMETHOXYCIAKOZHOL 87 InChI=1/C172-43-5 3972ClC(Cl)C(F)(F)OC METHOXYFRFKMCNOH -35 InChI=1/C376-38-0 3973NS(=O)(=O)c2cc1c(NC(CCl)N(2-METHYL CESYKOGB 225 InChI=1/C9135-07-9 3978S=P(Oc1ccc(cc1)[N+]([O-])= PARATHIO RLBIQVVO 35.5 InChI=1/C8298-00-0 3987CCC(CO)NC(=O)C4C=C1C(Cc2cMethylerg UNBRKDKA 172 InChI=1/C2113-42-8 3997

CRC HandbookCS(=O)(=O)OC METHYL MMBABOKRG 20 InChI=1/C266-27-3 4013Merck Index OCC(=O)C4(O)CCC3C2CC(C)CMethylpredVHRSUDSX 232.5 InChI=1/C283-43-2 4016Merck Index (2O=C2CCC3(C)C4CCC1(C)C(CC17-A-METHGCKMFJBG 163 InChI=1/C258-18-4 4017

CCC(CO)NC(=O)C4C=C1C(Cc2cMethysergKPJZHOPZ 195 InChI=1/C2361-37-5 4019O=C(O)Cc1cc2N(C)c3ccccc3SMetiazinic LMINNBXU 144 InChI=1/C113993-65-2 4020NS(=O)(=O)c2cc1c(CCCS1(=OMeticrane FNQQBFNI 236.5 InChI=1/C11084-65-7 4021

Merck Index (aNc1cc(OC)c(cc1Cl)C(=O)NCC METOCLOPTTWJBBZEZ 147.25 InChI=1/C1364-62-5 4024ClCC(=O)N(C(C)COC)c1c(C)ccMETOLACHWVQBLGZP -62.1 InChI=1/C151218-45-2 4025ClCC(=O)N(C(C)COC)c1c(C)ccS-MetolachWVQBLGZP -40 InChI=1/C187392-12-9 4025NS(=O)(=O)c1cc2C(=O)N(C(C)MetolazonAQCHWTWZ 256 InChI=1/C117560-51-9 4026CC(C)(c1cccnc1)C(=O)c2cccn MetyraponFJLBFSRO 50.5 InChI=1/C154-36-4 4030CC(N)COc1c(C)cccc1C 2-PROPANAVLPIATFU 204 InChI=1/C131828-71-4 4034Fc4ccccc4C2=NCc1cnc(C)n1c3MidazolamDDLIGBOF 159 InChI=1/C159467-70-8 4047

Merck Index COc1ccc(cc1C(O)CNC(=O)CN Midodrine PTKSEFOS 150 InChI=1/C142794-76-3 4050Cc2cc(nnc2NCCN1CCOCC1)c3MINAPRINLDMWSLGG 122 InChI=1/C125905-77-5 4054

CRC Handbook Clc2ccccc2C(C(Cl)Cl)c1ccc(Cl)O,P'-DDD JWBOIMRX 77 InChI=1/C153-19-0 4066Oc1ccc2CC5N(C)CCC43C5C=CMORPHINANBQJCRHHN 254 InChI=1/C16009-81-0 4103CC(=O)Oc1cc(C(C)C)c(OCCN(CMOXISYLYTVRYMTAVO 144.5 InChI=1/C154-32-0 4110Cc1cccc(c1)C(=O)N(CC)CC DEET [N,N MMOXZBCL -45 InChI=1/C1134-62-3 4133CC(=O)NBr Acetamide,VBTQNRFW 103.5 InChI=1/C279-15-2 4200O=C1C=CC(=O)N1CC 1H-Pyrrole-HDFGOPSG 45.5 InChI=1/C6128-53-0 4209

OC(C(C)N(C)C)c1ccccc1 N-MethyleFMCGSUUB 87.5 InChI=1/C1552-79-4 4221Oc1ccc(CCNC)cc1O DeoxyepinNGKZFDYB 188.5 InChI=1/C9501-15-5 4229O=C(O)c2ccccc2Nc1ccccc1 N-PHENYL ZWJINEZU 183.5 InChI=1/C191-40-7 4233CC(C)(C)NCC(O)COc2cccc1CCNADOLOL VWPOSFSP 130 InChI=1/C142200-33-9 4258

CRC COP(=O)(OC)OC(Br)C(Cl)(Br)CNALED BUYMVQAI 27 InChI=1/C4300-76-5 4267O=C(O)C2=CN(CC)c1nc(C)cc NALIDIXIC MHWLWQUZ 229.5 InChI=1/C1389-08-2 4268Oc1ccc2CC5N(CCC43C5C=CC(NALORPHI UIQMVEYF 208.5 InChI=1/C162-67-9 4270

Merck Index (2O=C3CCC4C5CCC2(C)C(CCC2ONandroloneUBWXUGDQ 95.5 InChI=1/C262-90-8 4282Clc1cccc(c1)N4CCN(CCCN3N=NefazodonVRBKIVRKK 83.5 InChI=1/C283366-66-9 4294O=C1C=C(CO1)C3CCC4(O)C5CNERIIFOLINVPUNMTHW 221 InChI=1/C3466-07-9 4302

CRC (2007) O=C(NNCCC(=O)NCc1ccccc1)NIALAMIDENOIIUHRQ 151 InChI=1/C151-12-7 4317CC=2NC(C)=C(C(C=2C(=O)OCCN3,5-PYRIDI ZBBHBTPT 137 InChI=1/C255985-32-5 4319O=C(OCC(COC(=O)c1cccnc1)(Niceritrol KUEUWHJG 162 InChI=1/C2 5/3/5868 4321Clc2cc(ccc2NC(=O)c1cc(Cl)ccNICLOSAMRJMUSRYZP 230 InChI=1/C150-65-7 4322

Merck Index 2 CC=1NC(C)=C(C(C=1C(=O)OC)NIFEDIPINEHYIMSNHJ 173 InChI=1/C121829-25-4 4330O=C3C(NC(=O)c1cccnc1)=C(CNifenazoneBRZANEXCS 253 InChI=1/C12139-47-1 4332[O-][N+](=O)c2cc(Oc1ccccc1)METHANESUHYWYRSMB 143.75 InChI=1/C151803-78-2 4339[O-][N+](=O)c1ccc2c(c1)C(= NIMETAZEGWUSZQUV 157 InChI=1/C12011-67-8 4340[O-][N+](=O)c1ccc2NC(=O)CNNITRAZEP KJONHKAY 225 InChI=1/C1146-22-5 4350O=[N+]([O-])OC(CO[N+]([O-] 1,2,3-PRO SNIOPGDI 13.5 InChI=1/C355-63-0 4354O=[N+]([O-])c1cc(cc(c1)[N+] 3,5-DINIT UUKWKUSG 184 InChI=1/C7121-81-3 4355

Merck Index Nc3cccc1c3CN(C)CC1c2cccccNomifensi XXPANQJN 180 InChI=1/C124526-64-5 4371Oc2ccc(CC(C)C(C)Cc1ccc(O)c 1,2-BENZENHCZKYJDF 185.5 InChI=1/C1500-38-9 4375O=C2CCC3C4CCC1(C)C(CCC1(Norethind VIKNJXKG 203.5 InChI=1/C268-22-4 4377

CRC (2007) O=C2CCC=3C4CCC1(C)C(CCC1NorethynodICTXHFFS 169.5 InChI=1/C268-23-5 4378O=C(O)C2=CN(CC)c1cc(c(F) NORFLOXAOGJPXUAP 227.5 InChI=1/C170458-96-7 4380

Merck (avg) O=C2CCC3C4CCC1(CC)C(CCC1NorgestrelWWYNJERN 206 InChI=1/C26533-00-2 4383O=C2CCC3C4CCC1(CC)C(CCC1D-NORGESWWYNJERN 240 InChI=1/C2797-63-7 4383COc3c5OCOc5cc4CCN(C)C(C2ONoscapine AKNNEGZIB 176 InChI=1/C2128-62-1 4385COc3c5OCOc5cc4CCN(C)C(C2ONARCOTINAKNNEGZIB 176 InChI=1/C26035-40-1 4385OC(c1ccc(O)cc1)C(C)NC(C)CCNylidrin PTGXAUBQ 111.5 InChI=1/C1447-41-6 4407O=C(O)C(Cc1ccccc1)NC(=O)c2OCHRATOXRWQKHEOR 169 InChI=1/C2303-47-9 4419Cc3c(OC)c(C)cnc3CS(=O)c1ncOMEPRAZOSUBDBMMJ 156 InChI=1/C173590-58-6 4433O=C(Nc1ccc(O)cc1)c2ccccc2 Osalmid LGCMKPRG 179 InChI=1/C1526-18-1 4441O=C1C=C(CO1)C3CCC4(O)C2COUABAIN LPMXVESG 130 InChI=1/C211018-89-6 4444O=C1C=C(CO1)C3CCC4(O)C2COUABAIN LPMXVESG 200 InChI=1/C2630-60-4 4444[O-][N+](=O)c1cc2NC(CCc2c 6-QUINOLIXCGYUJZM 148 InChI=1/C121738-42-1 4451

Merck Index OC(=O)CCc1nc(c(o1)c2ccccc2Oxaprozin OFPXSFXS 160.75 InChI=1/C121256-18-8 4453O=C5Nc1ccccc1N5CCCN2CCN(OxatomideBAINIUMD 153.6 InChI=1/C260607-34-3 4454Clc1ccc2NC(=O)C(O)N=C(c2c1OXAZEPAMADIMAYPT 205.5 InChI=1/C1604-75-1 4455CC(C)(Cc1ccccc1)N(C)C(=O)C OxethazainFTLDJPRF 104 InChI=1/C2126-27-2 4460O=C(OC)Nc1nc2cc(ccc2n1)O OxibendazoRAOCRURY 230 InChI=1/C120559-55-1 4461

CRC Handbook O=C(c1ccc(cc1O)OC)c2ccccc2OXYBENZODXGLGDHP 65.5 InChI=1/C1131-57-7 4471Merck O=C1CCC5(O)C2Cc4ccc(OC)cOxycodoneBRUQQQPB 219 InChI=1/C176-42-6 4474

CC(C)(C)c2cc(C)c(CC1=NCCN1OxymetazoWYWIFABB 182 InChI=1/C11491-59-4 4475

O=C1CCC5(O)C2Cc4ccc(O)c3OXYMORP UQCNKQCJ 248.5 InChI=1/C176-41-5 4478Oc1ccc(cc1)N3C(=O)C(CCCC)OXYPHENBHFHZKZSR 96 InChI=1/C1129-20-4 4480O=C1C=CC(=O)C=C1 2,5-CYCLO AZQWKYJC 115.7 InChI=1/C6106-51-4 4489Oc1ccc(CC(C)NC)cc1 PHENOL, 4SBUQZKJE 161 InChI=1/C1370-14-9 4494O=[N+]([O-])c1ccc(CC(=O)O)cP-NITROPHYBADLXQN 154 InChI=1/C8104-03-0 4500

Merck Index O=C(NC(c1ccccc1)C(O)C(=O) Paclitaxel RCINICONZ 216.5 InChI=1/C433069-62-4 4504O=C(CCCCCCCCCCCCCCC)NC Palmidrol HXYVTAGF 98.5 InChI=1/C1544-31-0 4509COc1ccc(cc1OC)Cc3nccc2cc( PAPAVERINXQYZDYMEL 147.5 InChI=1/C258-74-2 4518Clc1ccc(cc1Cl)N2OC(=O)N(C METHAZOLLRUUNMYP 123 InChI=1/C920354-26-1 4528

CRC O=C2C=C1C(=CCOC1O)O2 Patulin ZRWPUFFV 111 InChI=1/C7149-29-1 4534CC(C)(C)NC[C@@H](O)COc1cPENBUTOLKQXKVJAGO 70 InChI=1/C138363-40-5 4562O=C(O)C(N)C(C)(C)S PENCILLAMVVNCNSJF 198.5 InChI=1/C552-67-5 4565C/C(C)=C\CN2CCC1(C)c3cc(OPENTAZOCVOKSWYLN 146.3 InChI=1/C1359-83-1 4574

CRC (2007) O=C1NC(=O)NC(=O)C1(CC)C(PENTOBARBWEXRUCMB 130 InChI=1/C176-74-4 4575OC3CNC=Nc2c3ncn2C1CC(O)Pentostati FPVKHBSQE 220 InChI=1/C153910-25-1 4577CN1CCN(CC1)CCCN2c4ccccc4PERAZINE WEYVCQFU 52 InChI=1/C284-97-9 4582CSCC4CC1C(Cc2cnc3cccc1c23Pergolide YEHCICAEU 207.5 InChI=1/C166104-22-1 4583OC1CCN(CC1)CCCN2c4ccccc4PERICYAZI LUALIOATI 116.5 InChI=1/C22622-26-6 4585

CRC (2008) OCCN1CCN(CC1)CCCN2c4cccccPERPHENAZRGCVKNLC 97 InChI=1/C258-39-9 4586O=C1C=C(CO1)C3CCC4(O)C5CPERUVOSI PMTSPAGB 162.5 InChI=1/C31182-87-2 4587O=C(Cc1ccccc1)NC(N)=O PHENACEMXPFRXWCV 215 InChI=1/C963-98-9 4589CCOc1ccc(cc1)NC(C)=O P-PHENACECPJSUEIX 137.5 InChI=1/C162-44-2 4590Nc2nc(N)ccc2/N=N/c1ccccc1PHENAZOPYQPFYXYFO 139 InChI=1/C194-78-0 4592n1c3ccccc3nc2ccccc12 PHENAZIN PCNDJXKN 176.5 InChI=1/C192-82-0 4593O=C2c1ccccc1C(=O)C2c3cccc2-PHENYL-NFBAXHOP 150 InChI=1/C183-12-5 4596O=C1NC(=O)NC(=O)C1(CC)c2PHENOBARDDBREPKU 174 InChI=1/C150-06-6 4599Oc1ccc(cc1)C3(OC(=O)c2ccccPHENOLPHKJFMBFZC 262.5 InChI=1/C277-09-8 4600CC(COc1ccccc1)N(Cc2ccccc2)PhenoxybeQZVCTJOX 39 InChI=1/C159-96-1 4604NC(=O)OCCCc1ccccc1 CARBAMIC CAMYKONB 102 InChI=1/C1673-31-4 4606O=C(O)CCCc1ccccc1 4-PHENYLBOBKXEAXT 52 InChI=1/C11821-12-1 4611N=C(N)NC(=N)Nc1ccccc1 Phenyl Big CUQCMXFW 143 InChI=1/C8102-02-3 4616

Merck Index (2O=C3C(CCCC)C(=O)N(c1cccccPHENYLBUVYMDGNCV 105 InChI=1/C150-33-9 4617Merck Index (1OC(CNC)c1cc(O)ccc1 PhenylephrSONNWYBI 170.5 InChI=1/C959-42-7 4618Aldrich (1998) O=S(F)(=O)Cc1ccccc1 PhenylmethYBYRMVIV 93 InChI=1/C7329-98-6 4620Merck Index (2OC(C(C)N)c1ccccc1 PHENYLPR DLNKOYKM 101.25 InChI=1/C914838-15-4 4622

OC(C(C)N)c1ccccc1 BENZENEMEDLNKOYKM 77.75 InChI=1/C936393-56-3 4622Oc1ccc(cc1)CCC(=O)c3c(OC2Phloridzin IOUVKUPG 110 InChI=1/C260-81-1 4625

Merck; avg CCOP(=S)(OCC)SCN1c2ccc(ClPHOSALONIOUNQDKN 47.75 InChI=1/C12310-17-0 4629O=S(=O)(/N=C1\NC=CS1)c3ccPhthalylsulPBMSWVPM 273 InChI=1/C185-73-4 4641

Aldrich (1998) O=Cc1ccccc1C=O o-Phthalal ZWLUXSQA 56.5 InChI=1/C8643-79-8 4642O=C(NCc1cccnc1)c3cc(C(=O) PicotamideKYWCWBXG 124 InChI=1/C232828-81-2 4649Cn2cncc2CC1COC(=O)C1CC PILOCARPOQCHFTSOM 34 InChI=1/C192-13-7 4653COc2c1occc1c3OC(=O)C=Cc3PimpinellinBQPRWZCE 119 InChI=1/C1131-12-4 4659CC(C)NCC(O)COc2cccc1nccc1PINDOLOL JZQKKSLKJ 171 InChI=1/C113523-86-9 4662O=C(O)C2=CN(CC)c1nc(ncc1 PIPEMIDIC JOHZPMXA 254 InChI=1/C151940-44-4 4665

Merck Index O=C1CCCN1CC(=O)N Piracetam GMZVRMRE 152 InChI=1/C67491-74-9 4677c1cc(cc2OCOc12)CN3CCN(CCPiribedil OQDPVLVU 98 InChI=1/C1 1/4/3605 4684O=C(O)C2=CN(CC)c1nc(ncc1 Piromidic ARCIMBBZX 315 InChI=1/C119562-30-2 4689CC(C)(C)C(=O)OCOC(=O)C2N AmdinocilliNPGNOVNW 119 InChI=1/C232886-97-8 4691COc1cc(cc(OC)c1OC)C3C2C( PicropodopYJGVMLPV 228 InChI=1/C2477-47-4 4699NS(=O)(=O)c2cc1c(NC(CSCC(FPOLYTHIAZCYLWJCAB 214 InChI=1/C1346-18-9 4704CC(C)NCC(O)COc1ccc(cc1)NCPRACTOLODURULFYMV 135 InChI=1/C16673-35-4 4715Clc1ccc3c(c1)C(=NCC(=O)N3 PRAZEPAMMWQCHHAC 145.5 InChI=1/C12955-38-6 4721O=C2CN(CC1c3ccccc3CCN12)PraziquantFSVJFNAI 136 InChI=1/C155268-74-1 4722O=C(N1CCN(CC1)c3nc2cc(OC)Prazosin IENZQIKP 279 InChI=1/C119216-56-9 4724CC(O)C1CCC2C3CCC4CC(O)CCAllopregnaYWYQTGBB 218.5 InChI=1/C2566-56-3 4732CC(O)C1CCC2C3CCC4CC(O)CCPregnanediYWYQTGBB 243.5 InChI=1/C280-92-2 4732

Lide, DR ET AL CC(O)C1CCC2C3CCC4CC(O)CCPregnanediYWYQTGBB 245 InChI=1/C280-91-1 4732Merck Index (2OC(CCN1CCCCC1)(c2ccccc2)cPRIDINOL RQXCLMGK 120.5 InChI=1/C2511-45-5 4735

O=C(Nc1ccccc1C)C(C)NCCC PRILOCAINMVFGUOIZ 37.5 InChI=1/C1721-50-6 4737CCC1(C(=O)NCNC1=O)c2ccccPRIMIDONDQMZLTXE 281.5 InChI=1/C1125-33-7 4740O=S(=O)(N(CCC)CCC)c1ccc(ccPROBENECDBABZHXK 195 InChI=1/C157-66-9 4742CC(C)(C)c2cc(SC(C)(C)Sc1cc(cProbucol FYPMFJGV 125 InChI=1/C323288-49-5 4743Nc1ccc(cc1)C(=O)OCCN(CC)CPROCAINE MFDFERRI 61 InChI=1/C159-46-1 4745

CRC (2008) CN1CCN(CC1)CCCN2c4ccccc4SProchloropWIKYUJGC 228 InChI=1/C258-38-8 4748Merck Index (2CN1CCN(CC1)CCCN2c4ccccc4SProchlorpeWIKYUJGC 228 InChI=1/C284-02-6 4748Merck OC(CCN1CCCC1)(c2ccccc2)C ProcyclidinWYDUSKDS 86 InChI=1/C177-37-2 4750

O=C(NC(CCC(=O)O)C(=O)N(CCProglumid DGMKFQYC 143.5 InChI=1/C16620-60-6 4753Clc1ccc(NC(=N)NC(=N)NC(C)CIMIDODICASSOLNOMR 129 InChI=1/C1500-92-5 4754

Merck Index (2CN(C)C(C)CN1c3ccccc3Sc2cc PROMETHAPWWVAXIE 60 InChI=1/C160-87-7 4758Tomlin (2003) COc1nc(NC(C)C)nc(NC(C)C)n PROMETO ISEUFVQQ 91.5 InChI=1/C11610-18-0 4759Lide (1994) CSc1nc(NC(C)C)nc(NC(C)C)n1PROMETRYAAEVYOVX 119 InChI=1/C17287-19-6 4760

CC(C)NCC(O)c1ccc2ccccc2c1 PRONETHAHRSANNOD 108 InChI=1/C154-80-8 4761Merck Index (2CC(C)NCC(O)c1ccc2ccccc2c1 PronethaloHRSANNOD 184 InChI=1/C151-02-5 4761Tomlin (2003) CC(C)N(C(=O)CCl)c1ccccc1 PROPACHLMFOUDYKP 77 InChI=1/C11918-16-7 4762

Clc1ccc(NC(=O)CC)cc1Cl PROPANIL LFULEKSK 92 InChI=1/C9709-98-8 4764Clc1nc(NC(C)C)nc(NC(C)C)n1 PROPAZINEWJNRPILH 213 InChI=1/C9139-40-2 4768CC(=O)CCCCN2C(=O)c1n(cnc PropentofylRBQOQRRF 69 InChI=1/C155242-55-2 4769CC(C)c1cccc(C(C)C)c1O PHENOL, 2,OLBCVFGF 18 InChI=1/C12078-54-8 4774

Tomlin (2003) CC(C)Oc1ccccc1OC(=O)NC PROPOXURISRUGXGC 90 InChI=1/C1114-26-1 4775Oc1cc(cc(O)c1O)C(=O)OCCC PROPYL GAZTHYODDO 130 InChI=1/C1121-79-9 4778O=C(OCCC)CN1C=C(I)C(=O)C(PropyliodoROSXARVH 186 InChI=1/C1587-61-1 4780O=C1C=CC(=CO1)C3CCC4(O)CPROSCILLAMYEJFUXQ 221 InChI=1/C3466-06-8 4781O=C1Cc4ccc5OCOc5c4CN(C) Protopine GPTFURBX 208 InChI=1/C2130-86-9 4799CC(O)Cn2cnc1c2C(=O)N(C)C(PROXYPHYLKYHQZNGJ 135.5 InChI=1/C1603-00-9 4806CN(C)CCc2cnc1cccc(O)c12 Psilocin SPCIYGNT 174.5 InChI=1/C1520-53-6 4807COc1ccc(cc1)CC(N)C(=O)NC4PUROMYCIRXWNCPJZ 176.25 InChI=1/C253-79-2 4811CNC(=O)OCc1cccc(COC(=O)NPYRIDINOLYEKQSSHB 136.5 InChI=1/C11882-26-4 4816CCc1nc(N)nc(N)c1c2ccc(Cl)ccPYRIMETH WKSAUQYG 233.5 InChI=1/C158-14-0 4819CCC1(CC)C(=O)C=CNC1=O 2,4(1H,3H)NZASCBIB 90.7 InChI=1/C977-04-3 4820

O=C1C2C4(C)C(CC3OC(=O)CCQuassin IOSXSVZR 222 InChI=1/C276-78-8 4824Fc3ccccc3C2=NCC(=S)N(CC(F)(2H-1,4-BENIKMPWMZB 138.25 InChI=1/C136735-22-5 4825COc3ccc2CC1c4c(CCN1C)ccc ApocodeinDZUOQMBJ 123.5 InChI=1/C1641-36-1 4846

Merck Index Cc3c(OCCCOC)ccnc3CS(=O)c1RabeprazolYREYEVIYC 99.5 InChI=1/C1117976-89-3 4853OC(C(C)NC)c1ccccc1 (1R,2S)-(- KWGRBVOP 34 InChI=1/C1299-42-3 4856

LIDE,DR ET AL.OC(C(C)NC)c1ccccc1 BenzenemetKWGRBVOP 40 InChI=1/C1321-98-2 4856OC(C(C)NC)c1ccccc1 BenzenemetKWGRBVOP 76.5 InChI=1/C190-81-3 4856

Merck Index OC(C(C)NC)c1ccccc1 d-PseudoeKWGRBVOP 118.5 InChI=1/C190-82-4 4856ALDRICH (2000OC(C(C)NC)c1ccccc1 PseudoepheKWGRBVOP 119 InChI=1/C1321-97-1 4856Merck Index Oc1ccc(cc1)c3sc2cc(O)ccc2 RaloxifeneGZUITABI 145 InChI=1/C284449-90-1 4859

CC(C)NC=2C(=O)N(c1ccccc1) Ramifenaz XOZLRRYP 80 InChI=1/C13615-24-5 4861O=C(OCC)C(CCc1ccccc1)NC( Ramipril HDACQVRG 109 InChI=1/C287333-19-5 4862O=C(OCc2cc(Cc1ccccc1)oc2)CBIORESMEVEMKTZHH 32 InChI=1/C228434-01-7 4877

Tomlin (2003) O=C(OCc2cc(Cc1ccccc1)oc2)CRESMETHRVEMKTZHH 56.5 InChI=1/C210453-86-8 4877Oc1cccc(O)c1 RESORCINOGHMLBKRA 111 InChI=1/C6108-46-3 4878NC3C(O)C(O)C(CN)OC3OC2C(RibostamycNSKGQURZ 193.5 InChI=1/C125546-65-0 4890

Merck Index CC=5N=C1CCCCN1C(=O)C=5CCRisperidonRAPZEAPA 170 InChI=1/C2106266-06-2 4895OCc1ccccc1O O-HYDROXCQRYARSY 87 InChI=1/C790-01-7 4962O=C(N)c1ccccc1O O-HYDROXSKZKKFZA 142 InChI=1/C765-45-2 4963OCc1cc(ccc1O)C(O)CNCCCCCSalmeterolGIIZNNXW 75.75 InChI=1/C289365-50-4 4968O=C(Oc1ccccc1C(=O)O)c2ccc2-CARBOXYWVYADZUP 147 InChI=1/C1552-94-3 4977

Merck Index OCC(c1ccccc1)C(=O)OC2CC3 SCOPOLAMSTECJAGH 59 InChI=1/C151-34-3 4997Lide, DR ET AL OCC(c1ccccc1)C(=O)OC2CC3 ScopolaminSTECJAGH 200 InChI=1/C155-16-3 4997

O=C(O)CCCCCCCCC(=O)O DECANEDIOCXMXRPHR 130.8 InChI=1/C1111-20-6 5004O=C1NC(=O)NC(=O)C1(CC=C)SECOBARBIKQPKPCNL 100 InChI=1/C176-73-3 5005

Radding, SB Et NC(=O)NN CarbamylhyDUIOPKIII 96 InChI=1/CH57-56-7 5008Oc1cc2c(cc1)ncc2CCN 5-HYDROXQZAYGJVT 167.5 InChI=1/C150-67-9 5013C3OC(c1ccc2OCOc2c1)C4COCSesamin PEYUIKBA 124 InChI=1/C2607-80-7 5015Clc1nc(NCC)nc(NCC)n1 SIMAZINE ODCWYMIR 226 InChI=1/C7122-34-9 5027Clc2ccc(OC(C)(C)C(=O)OCCCOSimfibrate JLRNKCZR 52 InChI=1/C214929-11-4 5028ICC(=O)O Acetic acidJDNTWHVO 82.5 InChI=1/C264-69-7 5050O=C(O)CCc1c(I)c(/N=C/N(C)C)Ipodate YQNFBOJPT 168.5 InChI=1/C15587-89-3 5051CC6C2C(CC3C4CC=C1CC(O)CCSolassodinKWVISVAM 202 InChI=1/C2126-17-0 5060O=S(C)(=O)Nc1ccc(cc1)C(O)CSOTALOL ZBMZVLHS 206.75 InChI=1/C13930-20-9 5063Fc1ccc(cc1)C(=O)CCCN2CCC4SPIROPERI DKGZKTPJ 191.8 InChI=1/C2749-02-0 5075

Aldrich 2001 CC(=O)SC4CC1=CC(=O)CCC1(SPIRONOL LXMSZDCA 207.5 InChI=1/C252-01-7 5077CC1=CN(C(=O)NC1=O)C2CCCTHYMIDINEXKKCQTLDI 155.5 InChI=1/C1 5/5/3416 5090

CRC O=C(O)CCCCCCCCCCCCCCCC STEARIC ACQIQXTHQI 69.3 InChI=1/C157-11-4 5091OC(C(C=O)NC(=O)N(C)N=O)CSTREPTOZOAGRCPNMC 115 InChI=1/C818883-66-4 5108O=S(=O)(Nc1nccs1)c2ccc(NC SuccinylsulSKVLYVHU 193.5 InChI=1/C1116-43-8 5124Nc1ccc(cc1)S(=O)(=O)NC(=O)Benzamide,PBCZLFBEB 181.5 InChI=1/C1127-71-9 5128Nc1ccc(cc1)S(=O)(=O)NC(C)=SULFANILASKIVFJLN 183 InChI=1/C8144-80-9 5129

Merck Index O=C1N=C(C=CN1CC)NS(=O)(=SulfacytineSIBQAECN 167.25 InChI=1/C117784-12-2 5131COc2nc(NS(=O)(=O)c1ccc(N)cSULFADIMZZORFUFY 203.5 InChI=1/C1122-11-2 5132Nc1ccc(cc1)S(=O)(=O)NC(=N)SULFANILYBRBKOPJO 191.5 InChI=1/C757-67-0 5133

O=S(=O)(Nc1nc(C)ccn1)c2cccSULFAMERQPPBRPIA 236 InChI=1/C1127-79-7 5134O=S(=O)(Nc1ncc(cn1)OC)c2ccSULFAMETGPTONYMQ 215 InChI=1/C1651-06-9 5135O=S(=O)(Nc1nc(C)cc(C)n1)c2SULFAMETASWVTGNC 198.5 InChI=1/C157-68-1 5136

Merck Index Cc2nnc(NS(=O)(=O)c1ccc(N)cSULFAMETVACCAVUA 208 InChI=1/C9144-82-1 5137Merck Cc2cc(NS(=O)(=O)c1ccc(N)cc SULFAMETJLKIGFTWX 167 InChI=1/C1723-46-6 5138

O=S(=O)(Nc1ccc(OC)nn1)c2ccSULFAMETVLYWMPOK 182.5 InChI=1/C180-35-3 5139Nc1ccc(cc1)S(=O)(N)=O SULFANILAFDDDEECH 165.5 InChI=1/C663-74-1 5142O=S(=O)(Nc1ccc(cc1)[N+]([O-SulfanitranGWBPFRGX 240 InChI=1/C1122-16-7 5143Nc1ccc(cc1)S(=O)(=O)Nc3ccnSULFAPHE QWCJHSGM 181 InChI=1/C1526-08-9 5144O=S(=O)(Nc1ccccn1)c2ccc(N)SULFAPYRIGECHUMIM 192 InChI=1/C1144-83-2 5145Nc1ccc(cc1)S(=O)(=O)Nc2cncSULFAQUINNHZLNPMO 247.5 InChI=1/C159-40-5 5147

Merck O=S(=O)(Nc1nccs1)c2ccc(N)cSULFATHIAJNMRHUJN 202 InChI=1/C972-14-0 5148O=C4C(CCS(=O)c1ccccc1)C(= SULFOXYPHMBGGBVCU 136.5 InChI=1/C257-96-5 5149Cc2cc(NS(=O)(=O)c1ccc(N)cc SULFISOMIYZMCKZRA 243 InChI=1/C1515-64-0 5150

Merck Cc2c(NS(=O)(=O)c1ccc(N)cc1SULFISOXANHUHCSRW 191 InChI=1/C1127-69-5 5151CS(=O)c3ccc(c1nc2ncccc2n1)1H-IMIDAZXMFCOYRW 204 InChI=1/C173384-60-8 5160CC(C)Sc1ccc(cc1)C(O)C(C)N Suloctidil BFCDFTHT 62.5 InChI=1/C254063-56-8 5161O=S2(=O)CCCCN2c1ccc(cc1)SSulthiame HMHVCUVY 181 InChI=1/C161-56-3 5163CCN2CCCC2CNC(=O)c1cc(cccSULTOPRIDUNRHXEPD 181.5 InChI=1/C153583-79-2 5164

Merck Index (2CNS(=O)(=O)Cc1cc2c(cc1)nc SumatriptaKQKPFRSP 170 InChI=1/C1103628-46-2 5165O=C(c1ccc(cc1)C(C)C(=O)O)c Suprofen MDKGKXOC 124.3 InChI=1/C140828-46-4 5166

Ullmann On-LiO=C(OCC)Oc1c(OC)cc(cc1OC SyrosingopZCDNRPPF 177 InChI=1/C384-36-6 5174Tomlin (2003) CC(C)(C)c1nnc(s1)N(C)C(=O) TEBUTHIU HBPDKDSF 162.85 InChI=1/C934014-18-1 5190

FC1=CN(C(=O)NC1=O)C2CCCTEGAFUR WFWLQNSH 172 InChI=1/C817902-23-7 5193Clc1ccc2c(c1)C(=NC(O)C(=O) TEMAZEPASEQDDYPD 120 InChI=1/C1846-50-4 5198

Tomlin (2003) COP(=S)(OC)Oc1ccc(cc1)Sc2cTEMEPHOSWWJZWCUN 30.25 InChI=1/C13383-96-8 5199ALDRICH (2000CC1(C)CC(O)CC(C)(C)N1O 2,2,6,6-TetCSGAUKGQ 70 InChI=1/C92226-96-2 5202

COc1cc(cc(OC)c1O)C6c2cc8 TENIPOSIDNRUKOCRG 244 InChI=1/C329767-20-2 5203O=C(N1CCN(CC1)c3nc2cc(OCTerazosin VCKUSRYTP 273 InChI=1/C163590-64-7 5208CC(C)(C)c1ccc(cc1)C(O)CCCN TerfenadinGUGOEEXE 147 InChI=1/C350679-08-8 5212

Merck Index (2O=C3C=C4CCC1C(CCC2(C)OC(Testolacto BPEWUONY 218.5 InChI=1/C1968-93-4 5214Merck Index (2O=C2CCC3(C)C4CCC1(C)C(CCTESTOSTE MUMGGOZA 155 InChI=1/C158-22-0 5215

CCCCCCC(=O)OC2CCC1C3CCCTESTOSTE VOCBWIIF 37 InChI=1/C2315-37-7 5216CCC(=O)OC2CCC1C3CCC4=CCTESTOSTERPDMMFKSK 120 InChI=1/C257-85-2 5217COc3c(OC)cc5CCN(C)C4Cc1ccTetrandrinWVTKBKWT 217.5 InChI=1/C3518-34-3 5229O=C1NC(=O)CCC1N3C(=O)c2THALIDOMUEJJHQNA 270 InChI=1/C150-35-1 5233

Merck Index Cn1cnc2c1C(=O)NC(=O)N2C THEOBROMYAPQBXQY 357 InChI=1/C783-67-0 5236Merck Index n1c3ccccc3nc1c2cscn2 THIABEND WJCNZQLZ 304.5 InChI=1/C1148-79-8 5237

O=S(C)(=O)c1ccc(cc1)C(O)C(CP-METHYL OTVAEFIX 165 InChI=1/C1847-25-6 5240O=S(C)(=O)c1ccc(cc1)C(O)C(CThiampheniOTVAEFIX 165.3 InChI=1/C115318-45-3 5240O=C1NC(=O)CS1 2,4-ThiazolZOBPZXTW 128 InChI=1/C32295-31-0 5242CN1CCN(CC1)CCCN2c4ccccc4SETHYLTHIOXCTYLCDET 63 InChI=1/C21420-55-9 5245

Merck (2006) CN4CCCCC4CCN1c3ccccc3Sc2THIORIDAZKLBQZWRI 73 InChI=1/C250-52-2 5253S=P(N1CC1)(N2CC2)N3CC3 THIOTEPA FOCVUCIES 51.5 InChI=1/C652-24-4 5254

Merck Index CN(C)C(=S)SSC(=S)N(C)C THIRAM KUAZQDVK 155.6 InChI=1/C6137-26-8 5256

O=S(C)(=O)c1cc(c(OC)cc1)C( BENZAMIDEJTVPZMFU 124 InChI=1/C151012-32-9 5268O=C(c1ccc(s1)C(C)C(=O)O)c2TiaprofenicGUHPRPJD 96 InChI=1/C133005-95-7 5269OCCN1CCN(CC1)C(=O)CN2c3cTIARAMIDEHTJXMOGU 160 InChI=1/C132527-55-2 5270O=C2CC=3CC(C)C1C4CCC(O)(Tibolone WZDGZWOA 167 InChI=1/C25630-53-5 5271OC(COc1nsnc1N2CCOCC2)CNCTIMOLOL BLJRIMJG 202 InChI=1/C126839-75-8 5278O=S(=O)(CCn1c(cnc1C)[N+]([TINIDAZOLHJLSLZFTE 127.5 InChI=1/C819387-91-8 5279O=C(OCC)c1c2CCN(Cc2sc1N)CTinoridine PFENFDGY 112.5 InChI=1/C124237-54-5 5280OC(=O)CNC(=O)C(C)S Tiopronin YTGJWQPH 96 InChI=1/C5 2/2/1953 5283O=C(O)C(NS(=O)(=O)CCCC)C Tirofiban COKMIXFXJ 224 InChI=1/C2144494-65-5 5286O=C(N(CC)CC)c1cccnc1 NIKETHAMNCYVXEGF 25 InChI=1/C159-26-7 5296COc1ccc(cc1OC)C3=NN=C(C)CTofisopam RUJBDQSF 156.5 InChI=1/C222345-47-7 5301Cc1ccc(cc1)S(=O)(=O)NC(=O TOLAZAMIOUDSBRTV 171.5 InChI=1/C11156-19-0 5302c2cc(CC1=NCCN1)ccc2 1H-IMIDAZJIVZKJJQO 174 InChI=1/C159-98-3 5303Cc1ccc(cc1)S(=O)(=O)NC(=O TOLBUTAMJLRGJRBPO 128.5 InChI=1/C164-77-7 5304Cc1cc(ccc1)N(C)C(=S)Oc2ccc Tolciclate CANCCLAK 93 InChI=1/C250838-36-3 5305Cc1cc(ccc1)N(C)C(=S)Oc2ccc Tolnaftate FUSNMLFNX 111 InChI=1/C12398-96-1 5309CC(CN1CCCCC1)C(=O)c2ccc(C1-PROPANOFSKFPVLPF 176.5 InChI=1/C1728-88-1 5310C2CCCc3cccc(NC1=NCCN1)c2TramazolinQQJLHRRU 142.5 InChI=1/C11082-57-1 5323Clc1cccc(c1)N2CCN(CC2)CC TrazodonePHLBKPHS 87 InChI=1/C119794-93-5 5332

LIDE, DR ET AL.C(C#CCN1CCCC1)N2CCCC2 Tremorine JSUAJTLKV 237 InChI=1/C1300-68-5 5333CCOc1cc(OCC)c(cc1OCC)C(= TrepibutonYPTFHLJN 150.5 InChI=1/C141826-92-0 5335Cl/C(Cl)=C(\Cl)CSC(=O)N(C(C)TRIALLATE MWBPRDON 29 InChI=1/C12303-17-5 5342

Merck Index OCC(=O)C3(O)C(O)CC2C4CCCTRIAMCIN GFNANZIM 270 InChI=1/C2124-94-7 5343Nc2nc(N)nc1nc(N)c(nc12)c3c2,4,7-TRI FNYLWPVR 316 InChI=1/C1396-01-0 5345ClCCN(CCCl)CCCl TRIS(BETA FDAYLTPA -4 InChI=1/C6555-77-1 5360

ALDRICH (2000ClCCN(CCCl)CCCl 2,2',2''-Tr FDAYLTPA 128.5 InChI=1/C6817-09-4 5360Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1 5-CHLORO-XEFQLINVK 55.65 InChI=1/C13380-34-5 5363

ALDRICH (2000FC(F)(F)c1cccc(c1)C3(O)CCN(Trifluperid GPMXUUP 212 InChI=1/C22062-77-3 5366[O-][N+](=O)c1cc(cc([N+]([O TRIFLURALZSDSQXJS 49 InChI=1/C11582-09-8 5368

CRC Handbook OC(CCN1CCCCC1)(c2ccccc2) TRIHEXYLPHWHLPVGT 114 InChI=1/C2144-11-6 5371OC(CCN1CCCCC1)(c2ccccc2) TrihexypheHWHLPVGT 258.5 InChI=1/C252-49-3 5371COc1c(cc(cc1OC)C(=O)OCC(CCTrimebutinLORDFXWU 79 InChI=1/C239133-31-8 5372CN(C)CC(C)CN1c3ccccc3Sc2cTRIMEPRAZZZHLYYDVI 68 InChI=1/C184-96-8 5373CN1C(=O)OC(C)(C)C1=O TrimethadiIRYJRGCIQ 46 InChI=1/C6127-48-0 5374COc1c(cc(cc1OC)C(=O)NCc2cTRIMETHOBFEZBIKUBA 188.7 InChI=1/C2138-56-7 5375Nc2nc(N)ncc2Cc1cc(OC)c(OCTRIMETHOIEDVJHCE 201 InChI=1/C1738-70-5 5376COc1cc(cc(OC)c1OC)NCc2ccc24NH2-5MNOYPYLRCI 216 InChI=1/C152128-35-5 5381CN(C)CC(C)CN2c3ccccc3CCc1TrimipramiZSCDBOWY 45 InChI=1/C2739-71-9 5382

ChemFinder (2CC(C)(C)CC(C)(C)c1ccc(OCCOOctoxynol JYCQQPHG -4 InChI=1/C19002-93-1 5388OCC(c1ccccc1)C(=O)N(CC)Cc TropicamidBGDKAVGW 96.5 InChI=1/C11508-75-4 5391O=C(CC(=O)C(F)(F)F)c1cccs1 THENOYLTTXBBUSUX 42 InChI=1/C8326-91-0 5399Oc1ccc(CCN)cc1 4-(2-AMIN DZGWFCGJ 164.5 InChI=1/C851-67-2 5408COc3ccccc3N2CCN(CCCNC1=C2,4(1H,3H)ICMGLRUY 157 InChI=1/C234661-75-1 5437NC(=O)OCC O-ETHYL C JOYRKODLD 49 InChI=1/C351-79-6 5439O=C(O)CCC(C)C1CCC2C3C(CCCHENODEOXRUDATBOH 119 InChI=1/C2474-25-9 5443

O=C(O)CCC(C)C1CCC2C3C(CCHYODEOXYCRUDATBOH 198.5 InChI=1/C283-49-8 5443O=C(O)CCC(C)C1CCC2C3C(CCURSODEOXYRUDATBOH 203 InChI=1/C2128-13-2 5443CC(=O)c2c1OC3=CC(=O)C(C(=USNIC ACI CUCUKLJLR 204 InChI=1/C1125-46-2 5444CC(C)C1NC(=O)C(C)OC(=O)C(NValinomyciFCFNRCRO 190 InChI=1/C52001-95-8 5447O=C(OC)C5(O)CC3(CCCN2CCcVincamineRXPRRQLKF 231.5 InChI=1/C21617-90-9 5466O=C(O)c1cc(O)c2cccc(O)c2n12-QUINOLIFBZONXHG 289 InChI=1/C159-00-7 5497Cc2cccc(C)c2NC1=NCCCS1 Xylazine BPICBUSO 140 InChI=1/C17361-61-7 5505CC(C)(C)c2cc(C)c(CC1=NCCN1XylometazoHUCJFAOM 132 InChI=1/C1526-36-3 5507NC1=NC(=O)N(C=C1)C2CCC( CYTIDINE, WREGKURF 217.5 InChI=1/C97481-89-2 5516CN(C)C(=O)Cc1c(nc2ccc(C)cnZolpidem ZAFYATHC 196 InChI=1/C182626-48-0 5530Cc2cc(CC(=O)O)n(C)c2C(=O)c1ZomepiracZXVNMYWK 178.5 InChI=1/C133369-31-2 5531NS(=O)(=O)Cc2noc1ccccc12 Zonisamid UBQNRHZM 161.5 InChI=1/C868291-97-4 5532CN1CCN(CC1)C(=O)OC4c2nccnZopiclone GBBSUAFB 178 InChI=1/C143200-80-2 5533OC(COC(N)=O)(CC)c1ccccc1 HYDROXYPWAFIYOUL 55 InChI=1/C150-19-1 5549OC(=O)c1c(Cl)cccc1Cl 2,6-DICHL MRUDNSFO 144 InChI=1/C750-30-6 5555

Lide Clc1c(C(=O)O)c(Cl)ccc1Cl 2,3,6-TRI XZIDTOHM 124.5 InChI=1/C750-31-7 5556Aldrich (1998) OC(=O)c1c(Cl)cc(Cl)cc1Cl 2,4,6-TrichRAFFVQBM 162 InChI=1/C750-43-1 5561ALDRICH (2003Clc1c(cccc1Cl)C(=O)O Benzoic aciQAOJBHRZ 169 InChI=1/C750-45-3 5562

COc1cc(cc(OC)c1OC)C(=O) RESERPINEQEVHRUUC 264.5 InChI=1/C350-55-5 5566CRC (2008) Cc1ccc(cc1)N(CC2=NCCN2)c3PhentolamMRBDMNSD 175 InChI=1/C150-60-2 5571

COc1c(cc(cc1OC)C(=O)OCCCNHexobendiKRQAMFQC 76 InChI=1/C354-03-5 5573Lide, DR ET AL Clc1c(cc(Cl)c(Cl)c1Cl)C(=O)O Benzoic aciFUXMTEKF 194.5 InChI=1/C750-74-8 5578

Clc1cc(C(=O)O)c(Cl)cc1Cl 2,4,5-TRI PTFNNDHA 166.5 InChI=1/C750-82-8 5582OC(=O)c1ccc(Cl)cc1Cl 2,4-DICHL ATCRIUVQ 164.2 InChI=1/C750-84-0 5583OC(=O)c1ccc(C)cc1O 4-METHYLSNJESAXZA 177 InChI=1/C850-85-1 5584c1cccc2ncnc12 BENZIMIDAHYZJCKYKO 170.5 InChI=1/C751-17-2 5593Nc1ccccc1O O-AMINOPCDAWCLOX 174 InChI=1/C695-55-6 5596

CRC HandbookBrC1=CNC(=O)NC1=O 5-BROMOULQLQRFGH 310 InChI=1/C451-20-7 5597O=C(O)Cc2cc(I)c(Oc1cc(I)c(O)Tiratricol UOWZUVNA 181.5 InChI=1/C151-24-1 5598O=C(O)CCc2cc(I)c(Oc1cc(I)c(OThyropropiVRORTNGX 200 InChI=1/C151-26-3 5599Clc1cc(cc(Cl)c1)C(=O)O 3,5-DICHL CXKCZFDU 188 InChI=1/C751-36-5 5606COc1ccc(NC(C)=O)cc1 P-METHOXYXVAIDCNL 131 InChI=1/C951-66-1 5622O=C1NC(=O)NC(=O)C1(CC)C CYCLOBARBWTYGAUXI 173 InChI=1/C152-31-3 5632O=C1NC(=O)NC(=O)C1(CC=C)ALLOBARBIFDQGNLOW 172 InChI=1/C152-43-7 5635C1CN1p2(np(np(n2)(N3CC3) Apholate PXZAWHSJ 147.5 InChI=1/C152-46-0 5637

CRC (2005) OC(C(Cl)(Cl)Cl)P(=O)(OC)OC TRICHLOR NFACJZMK 77 InChI=1/C452-68-6 5644O=S(=O)(N(C)C)c1ccc(OP(=S) FAMPHUR JISACBWY 53 InChI=1/C152-85-7 5650c1c4c5ccccc5ccc4cc3c1ccc2cDIBENZ(A, LHRCREOY 269.5 InChI=1/C253-70-3 5678CC(=O)Nc1ccc2c3ccccc3Cc2cN-2-FLUORCZIHNRWJT 193 InChI=1/C153-96-3 5686O=C1NC(=O)NC=C1C(F)(F)F TRIFLUOR LMNPKIOZ 316 InChI=1/C554-20-6 5688

ALDRICH (2003CN(C)c2ccc(/N=N/c1ccccc1)c2-Methyl- QXTOLYZIJ 68 InChI=1/C154-88-6 5703C1CCCc2nnnn2C1 PENTYLENECWRVKFFC 59.5 InChI=1/C654-95-5 5704Nc1ccncc1N 3,4-DiaminOYTKINVC 120.8 InChI=1/C5452-58-4 5705Nc1ccncc1N 3,4-DiaminOYTKINVC 220 InChI=1/C554-96-6 5705O=C(O)c1ccncc1 ISONICOTINTWBYWOBD 315 InChI=1/C655-22-1 5709

Hawley CNc1ccc(O)cc1 Metol ZFIQGRISG 87 InChI=1/C7150-75-4 5718CNc1ccc(O)cc1 MetoquinoZFIQGRISG 135 InChI=1/C7622-91-3 5718CN(C)c2ccc(/N=N/c1cc(C)ccc4-DIMETHYLVTFSVIR 138.5 InChI=1/C155-80-1 5721FP(=O)(OC(C)C)OC(C)C ISOFLURO MUCZHBLJ -82 InChI=1/C655-91-4 5723N=C(N)NC(=N)N Biguanide XNCOSPRU 136 InChI=1/C256-03-1 5726NCCCNCCCN 1,3-PropanOTBHHUPV -14 InChI=1/C656-18-8 5729ClC(Cl)(Cl)Cl CARBON T VZGDMQKN -23 InChI=1/CC56-23-5 5730c1c4ccccc4cc3c1ccc2ccccc23BENZ(A)A DXBHBZVC 84 InChI=1/C156-55-3 5739[O-][N+](=O)c2cc[n+]([O-])c14-NITROQUYHQDZJIC 154 InChI=1/C956-57-5 5740CN(C)N 1,1-DIMETRHUYHJGZ -58 InChI=1/C 57-14-7 5756O=C2CC4OCC=C7CN5CC[C@]STRYCHNINQMGVPVSN 287 InChI=1/C257-24-9 5759ClC2=C(Cl)C3(Cl)C1CC(Cl)C(ClCHLORDANBIWJNBZA 106 InChI=1/C157-74-9 5772

Merck (avg) CC(=O)[C@H]2CC[C@H]3[C@PROGESTERJKFOVLPO 126 InChI=1/C257-83-0 5773Cc2c1c4ccccc4ccc1c(C)c3ccc 7,12-DIMEARSRBNBH 122.5 InChI=1/C257-97-6 5779CCN(CC)CCSC(=O)N(c1ccccc1PhencarbaBZGIPVGC 48.5 InChI=1/C13735-90-8 5786CN(C)C=2C(=O)N(c1ccccc1)NAMINOPYRRMMXTBMQ 134.5 InChI=1/C158-15-1 5787

Merck Index (2O=C3CCC4(C)C5CCC2(C)C(CCTestosteroHPFVBGJFA 155 InChI=1/C258-20-8 5790CC(C)CC2CN3CCc1cc(OC)c(O TetrabenazMKJIEFSOB 128 InChI=1/C158-46-8 5796C(/c1ccccc1)=C(/c2ccccc2)c3Benzene, 1,MKYQPGPN 72.5 InChI=1/C258-72-0 5803Clc1cc(Cl)c(Cl)c(Cl)c1O 2,3,4,6-T VGVRPFIJE 70 InChI=1/C658-90-2 5806CCOc1cc(ccc1C(=O)OC)NC(C)Ethopabat GOVWOKSK 148.5 InChI=1/C159-06-3 5812O=C1C=Cc2ccccc2N1 2-(1H)-QU LISFMEBW 199.5 InChI=1/C959-31-4 5816O=C1Nc2ccccc2O1 O-PHENYL ASSKVPFE 138 InChI=1/C759-49-4 5820O=NN1CCOCC1 N-NITROS ZKXDGKXY 29 InChI=1/C459-89-2 5823

Merck Index Nc2ccc(/N=N/c1ccccc1)cc2 P-PHENYLAQPQKUYVS 127 InChI=1/C160-09-3 5828CN(C)c2ccc(/N=N/c1ccccc1)c4-(N,N-DI JCYPECIV 117 InChI=1/C160-11-7 5829OCCc1ccccc1 2-PHENYL WRMNZCZE -27 InChI=1/C860-12-8 5830

Merck Index NCCS 2-AminoethUFULAYFC 98 InChI=1/C260-23-1 5834CNN METHYL HYHDZGCSFE -52.4 InChI=1/C 60-34-4 5837

Merck Index (2COc1ccc(cc1C(O)C(C)N)OC MethoxaminWJAJPNHV 214 InChI=1/C161-16-5 5857Aldrich (1998) CNCCc2cnc1ccccc12 N-Methylt NCIKQJBV 88 InChI=1/C161-49-4 5863

CN(C)CCc2cnc1ccccc12 N,N-DIMETDMULVCHR 46 InChI=1/C161-50-7 5864[O-][N+](=O)c1cnc(s1)N2CC NIRIDAZOLRDXLYGJSW 261 InChI=1/C661-57-4 5868Cc1ccc(cc1)S(O)(=O)=O P-TOLUENEJOXIMZWY 104.5 InChI=1/C7104-15-4 5876Clc1cc2nc(N)oc2cc1 ZOXAZOLAYGCODSQD 184.5 InChI=1/C761-80-3 5878O=[N+]([O-])c1ccc(cc1)C(=O)P-NITROBEOTLNPYWU 242 InChI=1/C762-23-7 5882

CRC (2008) Nc1ccccc1 ANILINE PAYRUJLW -6.02 InChI=1/C662-53-3 5889CC(C)(N)C(=O)O Alanine, 2-FUOOLUPW 335 InChI=1/C462-57-7 5891

CRC Handbook CNC(=O)Oc2cccc1ccccc12 1-NAPHTHCVXBEEMK 145 InChI=1/C163-25-2 5899O=C(Oc1cc(ccc1)C(C)C)NC N-METHYL GYKXQTKS 73 InChI=1/C164-00-6 5913O=C(N)Nc1ccccc1 PHENYLURLUBJCRLG 147 InChI=1/C764-10-8 5915O=C(N)OCC(C)(COC(=O)N)C(CMEBUTAMLEROTMJV 77 InChI=1/C164-55-1 5919O=S(=O)(OCC)OCC DIETHYL S DENRZWYU -24 InChI=1/C464-67-5 5931

Merck Index CC(=O)N[C@H]2CCc3cc(OC)cCOLCHICINIAKHMKGGT 146 InChI=1/C264-86-8 5933O=C(C)NC(CCSC)C(=O)O L-MethioniXUYPXLNM 105.5 InChI=1/C765-82-7 5945

Yalkowsky & HIc1cc(CC(N)C(=O)O)cc(I)c1O 3,5-Diiodo-NYPYHUZR 213 InChI=1/C9300-39-0 5946CRC Handbook CCCCCC=O HEXANAL JARKCYVA -56 InChI=1/C666-25-1 5949

O=[N+]([O-])c1c(cccc1O)[N+]2,3-DINIT MHKBMNAC 144.5 InChI=1/C666-56-8 5956O=Cc2cccc1ccccc12 1-NaphthaSQAINHDH 33.5 InChI=1/C166-77-3 5960O=C1C=Cc2cc3ccoc3cc2O1 PSORALENZCCUUQDI 163.5 InChI=1/C166-97-7 5964O=Cc1ccc2ccccc2c1 NAPHTHALEPJKVFARR 62 InChI=1/C166-99-9 5966OC(=O)C(N)CCSCC L-HomocystGGLZPLKKB 195 InChI=1/C613073-35-3 5970Cc1cc(C)nn1 1H-PYRAZOSDXAWLJR 107.5 InChI=1/C567-51-6 5975O=C1CC(=O)NC(=O)N1 BARBITURIHNYOPLTX 248 InChI=1/C467-52-7 5976

CRC Handbook ClC(Cl)Cl CHLOROFOHEDRZPFG -63.6 InChI=1/CH67-66-3 5977CS(C)(=O)=O DIMETHYL HHVIBTZHL 109 InChI=1/C267-71-0 5978ClC(Cl)(Cl)C(Cl)(Cl)Cl HEXACHLOVHHHONWQ 187 InChI=1/C267-72-1 5979CN(C)C=O N,N'-DIM ZMXDDKWL -60.4 InChI=1/C 68-12-2 5993ClC(Cl)(Cl)c1ccc(cc1)C(Cl)(Cl)CP-DI(TRIC OTEKOJQF 109 InChI=1/C868-36-0 5997O=C1C=C(C(=O)C(=C1N2CC2 TRIAZIQUOPXSOHRWM 162.75 InChI=1/C168-76-8 5999Ic1cc(cc(I)c1O)C(=O)c2c3ccc BENZIODA CZCHIEJN 167 InChI=1/C168-90-6 6001O=C(CBr)c1ccccc1 ETHANONE,LIGACIXO 50.5 InChI=1/C870-11-1 6023CCS(=O)CC Diethyl sul CCAFPWNG 14 InChI=1/C470-29-1 6027O=C(O)C(S)CC(=O)O ButanedioiNJRXVEJT 149 InChI=1/C470-49-5 6032Cc1ccc(cc1)S(=O)(N)=O 4-METHYL LMYRWZFEN 138.5 InChI=1/C770-55-3 6033O=C(CC)c1ccc(N)cc1 1-PropanonFSWXOANX 140 InChI=1/C970-69-9 6034CCCCCO 1-PENTAN AMQJEAYH -78.9 InChI=1/C571-41-0 6040

CRC CC(Cl)(Cl)Cl 1,1,1-TRI UOCLXMDM -30.41 InChI=1/C271-55-6 6042Merck Index (2C[C@H](C)[C@H](N)C(=O)O VALINE KZSNJWFQ 315 InChI=1/C572-18-4 6050

OCC(=O)C3CCC2C1CCC4=CC(=DehydrocorFUFLCEKS 183.5 InChI=1/C272-23-1 6053Cc1ccccc1N3C(C)=Nc2ccccc2METHAQUAJEYCTXHK 120 InChI=1/C172-44-6 6055O=C3c1ccccc1C(=O)c2c3ccc( ALIZARINE RGCKGOZR 289.5 InChI=1/C172-48-0 6056Clc1ccc(cc1)C(C(Cl)Cl)c2ccc(CP,P'-DDD AHJKRLASY 109.5 InChI=1/C172-54-8 6057ClC(Cl)C(c1ccc(CC)cc1)c2ccc( 1,1-DICHL QFMDFTQO 56 InChI=1/C172-56-0 6058Oc1c(Cl)cc(Cl)c2ccc(C)nc12 ChlorquinaGPTXWRGI 114.5 InChI=1/C172-80-0 6062NS(=O)(=O)c1cc2C(=O)NC(NcQuinethaz AGMMTXLN 251 InChI=1/C173-49-4 6068O=[N+]([O-])c1ccc(cc1)C(O)C1(4-NO2 P UAORFCGRZ 98 InChI=1/C17413-36-7 6078OC(=O)c1ccc(Cl)cc1 4-CHLOROBXRHGYUZY 243 InChI=1/C774-11-3 6079c1ccccc1Nc2ccc(cc2)Nc3ccccN,N'-DIPH UTGQNNCQ 144 InChI=1/C174-31-7 6080BrC METHYL B GZUXJHMP -93.7 InChI=1/C 74-83-9 6083

CRC HandbookCC ETHANE OTMSDBZU -182.79 InChI=1/C 74-84-0 6084C=C ETHYLENE VGGSQFUC -169 InChI=1/C 74-85-1 6085C#C ACETYLENEHSFWRNGV -80.7 InChI=1/C274-86-2 6086CCl METHYL CHNEHMKBQY -97.7 InChI=1/CH74-87-3 6087CI METHYL IOINQOMBQA -66.4 InChI=1/CH74-88-4 6088

Merrck Index CN METHYLAMBAVYZALU -93.4 InChI=1/C 74-89-5 6089BrCC BROMOET RDHPKYGY -118.6 InChI=1/C274-96-4 6092BrCCl CHLOROB JPOXNPPZZ -87.9 InChI=1/CH74-97-5 6093CCC PROPANE ATUOYWHB -187.6 InChI=1/C374-98-6 6094

CRC HandbookC#CC PROPYNE MWWATHDP -102.7 InChI=1/C374-99-7 6095

CCCl CHLOROETHRYZWHHZP -138.7 InChI=1/C275-00-3 6097C=CCl VINYLCHLOBZHJMEDX -153.7 InChI=1/C275-01-4 6098C=CF VINYLFLUOXUCNUKMR -160.5 InChI=1/C275-02-5 6099CCI IODOETHAHVTICUPF -111.1 InChI=1/C275-03-6 6100

Hawley CCN ETHYLAMI QUSNBJAO -81.2 InChI=1/C 75-04-7 6101Merck Index CC#N ACETONITRWEVYAHXR -43.8 InChI=1/C 75-05-8 6102CRC HandbookCCS ETHYL ME DNJIEGIF -147.8 InChI=1/C 75-08-1 6103

ClCCl DICHLOROYMWUJEAT -95.1 InChI=1/CH75-09-2 6104FCF DIFLUORO RWRIWBAI -136 InChI=1/CH75-10-5 6105ICI METHYLENENZZFYRRE 6.1 InChI=1/CH75-11-6 6106S=C=S CARBON DIQGJOPFRUJ -111.5 InChI=1/CS75-15-0 6108C1CC1 CYCLOPROLVZWSLJZH -127.4 InChI=1/C375-19-4 6111

CRC HandbookC1CO1 ETHYLENE IAYPIBMAS -111.7 InChI=1/C275-21-8 6114CRC (2000) F[B@@](F)F BORON FL WTEOIRVL -126.8 InChI=1/BF 7/2/7637 6116

BrC(C)C 2-BROMOPNAMYKGVD -89 InChI=1/C375-26-3 6118CRC Handbook BrC(Cl)Cl BROMODICFMWLUWPQ -57 InChI=1/CH75-27-4 6119CRC HandbookCC(C)C 2-METHYL NNPPMTNA -138.3 InChI=1/C475-28-5 6120

CC(C)Cl 2-CHLORO ULYZAYCE -117.2 InChI=1/C375-29-6 6121CC(C)I 2-IODOPR FMKOJHQH -90 InChI=1/C375-30-9 6122

CRC HandbookCC(C)N ISOPROPY JJWLVOIR -95.13 InChI=1/C375-31-0 6123CRC HandbookCC(C)S 2-PROPANEKJRCEJOSA -130.5 InChI=1/C375-33-2 6124

CC(Cl)Cl 1,1-DICHL SCYULBFZ -96.9 InChI=1/C275-34-3 6125CC(Cl)=O ACETYLCHLWETWJCDK -112.8 InChI=1/C275-36-5 6127

Hawley CC(F)F 1,1-DIFLU NPNPZTNL -117 InChI=1/C275-37-6 6128ClC(Cl)F DICHLOROUMNKXPUL -135 InChI=1/CH75-43-4 6130

Merck Index ClC(Cl)=O PHOSGENEYGYAWVDW -118 InChI=1/CC75-44-5 6131ClC(F)F CHLORODIVOPWNXZW -157.4 InChI=1/CH75-45-6 6132IC(I)I IODOFORMOKJPEAGH 119 InChI=1/CH75-47-8 6134

CRC Handbook[O-][N+](C)=O NITROMETLYGJENNI -28.5 InChI=1/C 75-52-5 6135Merck Index C[SiH](Cl)Cl DICHLORONWKBSEBO -93 InChI=1/CH75-54-7 6136

CC1CN1 2-METHYLAOZDGMOYK -65 InChI=1/C375-55-8 6137CC1CO1 PROPYLENEGOOHAUXE -111.9 InChI=1/C375-56-9 6138BrC(Br)(F)F DIBROMODAZSZCFSOH -110.1 InChI=1/CB75-61-6 6142BrC(Cl)(Cl)Cl BROMOTRIXNNQFQFU -5.7 InChI=1/CB75-62-7 6143BrC(F)(F)F BROMOTRIRJCQBQGA -172 InChI=1/CB75-63-8 6144

Merck Index CC(C)(C)N T-BUTYLAMYBRBMKDO -72.65 InChI=1/C475-64-9 6145CC(C)(C)O T-BUTANODKGAVHZH 25.4 InChI=1/C475-65-0 6146

CRC HandbookCC(C)(C)S 2-METHYL-WMXCDAVJ -0.5 InChI=1/C475-66-1 6147CRC CC(Cl)(F)F 1-CHLORO-BHNZEZWI -130.8 InChI=1/C275-68-3 6148

ClC(Cl)(Cl)F TRICHLOR CYRMSUTZ -111.1 InChI=1/CC75-69-4 6149ClC(Cl)(F)F DICHLOROPXBRQCKW -158 InChI=1/CC75-71-8 6151ClC(F)(F)F CHLOROTRAFYPFACV -181 InChI=1/CC75-72-9 6152

CRC (2007) FC(F)(F)F TETRAFLU TXEYQDLB -183.6 InChI=1/CF75-73-0 6153CS(=O)(=O)O METHANESAFVFQIVM 20 InChI=1/CH75-75-2 6155

CRC C[Si](C)(C)C TETRAMETHCZDYPVPM -99 InChI=1/C475-76-3 6156

CRC C[Si](C)(C)Cl CHLOROTRIIJOOHPMO -40 InChI=1/C375-77-4 6157CRC (2007) C[Si](C)(Cl)Cl DICHLORODLIKFHECYJ -16 InChI=1/C275-78-5 6158CRC HandbookC[Si](Cl)(Cl)Cl METHYLTRIJLUFWMXJ -90 InChI=1/CH75-79-6 6159

BrC(Br)(Br)CO ETHANOL, YFDSDPIBE 81 InChI=1/C275-80-9 6160BrC(Cl)(Cl)CBr Ethane, 1, FIYBYNHDE -26 InChI=1/C275-81-0 6161CC(C)(C)CC 2,2-DIMETHNRMPXKD -99 InChI=1/C675-83-2 6163CC(C)(C)CO 2,2-DIMETKPSSIOMAK 52.5 InChI=1/C575-84-3 6164

CRC HandbookCC(C)(O)CC 2-METHYL-MSXVEPNJ -9.1 InChI=1/C575-85-4 6165N#CC(C)(C)O ACETONE MWFMGBPG -19 InChI=1/C475-86-5 6166ClCC(F)(F)F 1,1,1-TRI CYXIKYKB -105.5 InChI=1/C275-88-7 6168CC(C)(C)OO TERT-BUTYCIHOLLKRG -8 InChI=1/C475-91-2 6170

CRC (2007) C=C[Si](Cl)(Cl)Cl VINYLTRIC GQIUQDDJ -95 InChI=1/C275-94-5 6173Kirk-Othmer (2BrC(Br)(Br)C(=O)O Acetic acidQIONYIKH 132 InChI=1/C275-96-7 6175CRC HandbookCC(C)(C)C(C)=O 3,3-DIMETPJGSXYOJT -52.5 InChI=1/C675-97-8 6176Merck CC(C)(C)C(=O)O 2,2-DimethIUGYQRQA 35.5 InChI=1/C575-98-9 6177

CC(Cl)(Cl)C(=O)O DALAPON NDUPDOJH -5 InChI=1/C375-99-0 6178CRC ClC(Cl)C(Cl)(Cl)Cl PENTACHLBNIXVQGC -28.78 InChI=1/C276-01-7 6179

ClC(Cl)(Cl)C(Cl)=O TRICHLORAPVFOMCVH -31.8 InChI=1/C276-02-8 6180BrC(Br)(Br)C(C)(C)O TRIBROMO-JUGRTVJQ 169 InChI=1/C476-08-4 6184ClC(Cl)(Cl)C(Cl)(F)F 1,1,1,2-T SLGOCMAT 40.6 InChI=1/C276-11-9 6186ClC(Cl)(F)C(Cl)(Cl)F 1,1,2,2,- UGCSPKPE 26 InChI=1/C276-12-0 6187ClC(F)(F)C(Cl)(Cl)F 1,1,2-TRI AJDIZQLSF -35 InChI=1/C276-13-1 6188FC(F)(F)C(Cl)(F)F CHLOROPERFCAUADV -99.4 InChI=1/C276-15-3 6190

CRC (2007) FC(F)(F)C(F)(F)F HEXAFLUOWMIYKQLT -100.7 InChI=1/C276-16-4 6191FC(F)(F)C(F)(F)C(F)(F)F OCTAFLUOQYSGYZVSC -147.6 InChI=1/C376-19-7 6192O=S(=O)(CC)C(C)(CC)S(=O)(= TRIONAL LKACJLUU 76 InChI=1/C876-20-0 6193CC2(C)C1CCC2(C)C(=O)C1Br [1(R)-END NJQADTYR 76 InChI=1/C110293-06-8 6198CC2(C)C1CCC2(C)C(=O)C1Br 3-Bromo-dNJQADTYR 77 InChI=1/C176-29-9 6198OC(O)(C(=O)O)C(O)(O)C(O)= TETRAHYDRXHWHHMNO 114.5 InChI=1/C476-30-2 6199[O-][N+](=O)C(C)(C)CO 2-METHYL-MVGJRISP 89.5 InChI=1/C476-39-1 6202CC(=O)OC1CC2CCC1(C)C2(C) BORNYL ACKGEKLUUHT 29 InChI=1/C176-49-3 6207CC(C)c1cc(c(C)c(Br)c1O)C3(OBromthymoNUHCTOLB 201 InChI=1/C276-59-5 6208Brc1cc(c(C)c(Br)c1O)C3(OS(=BromcresolFRPHFZCD 218.5 InChI=1/C276-60-8 6209CCN(CC)CCC1(c2ccccc2OC1=OAmolanoneHPITVGRIT 43.4 InChI=1/C276-65-3 6211O=C2NC(=O)NC(=O)C2(CC=C CYCLOPENTXOVJAYNM 139.5 InChI=1/C176-68-6 6212O=C1NC(=O)NC(=O)C1(CC)C(PROBARBITHHLXJTDU 203 InChI=1/C976-76-6 6213ClC(c1ccccc1)(c2ccccc2)c3cc BENZENE, 1JBWKIWSB 113.5 InChI=1/C176-83-5 6214OC(c1ccccc1)(c2ccccc2)c3cccTRIPHENYLLZTRCELO 164.2 InChI=1/C176-84-6 6215

CHEM INSPECT Cl[Si](c1ccccc1)(c2ccccc2)c3 ChlorotriphMNKYQPOF 91.5 InChI=1/C176-86-8 6216Lide OC(C(=O)O)(c1ccccc1)c2ccccBENZILIC AUKXSKSHD 151 InChI=1/C176-93-7 6220

O=C1NC(=O)NC(=O)C1(CC=C)APROBARBIUORJNBVJ 141 InChI=1/C177-02-1 6221CCC1(CC)C(=O)NCCC1=O PiperdioneRGEVWUKX 104 InChI=1/C977-03-2 6222O=C(O)[C@H]3[C@@H]5[C@]GIBBERELLIIXORZMNA 234 InChI=1/C177-06-5 6223C1CC(CCC1)(c2ccccc2)N3CCCPhencyclidJTJMJGYZQ 46.5 InChI=1/C177-10-1 6224O=C1NC(=O)NC(=O)C1(CCCC)5-BUTYL-5 STDBAQMT 128.5 InChI=1/C177-28-1 6229

Merck Index CC1(CC(=O)N(C)C1=O)c2ccccMETHSUXIAJXPJJZHW 52.5 InChI=1/C177-41-8 6231O=S(=O)(c1ccc(NC(C)=O)cc1)AcedapsonAMTPYFGP 290 InChI=1/C177-46-3 6232ClC=1C(Cl)=C(Cl)C(Cl)(Cl)C=1CHEXACHLOVUNCWTME -9 InChI=1/C577-47-4 6233[O-][N+](=O)C(C)(CO)CO 2-METHYL-LOTYADDQ 150.1 InChI=1/C477-49-6 6235C[Si]1(O[Si](C)(O[Si](C)(O[S 2,4,6,8-T IRVZFACCN 99 InChI=1/C277-63-4 6242CCC(Br)(CC)C(=O)NC(N)=O CARBROMAOPNPQXLQ 118 InChI=1/C777-65-6 6243O=C(C)NC(=O)NC(=O)C(Br)(CAcecarbro SAZUGELZ 109 InChI=1/C977-66-7 6244

Sax O=C1NC(=O)C(C)(C)N1 2,4-IMIDAZYIROYDNZE 178 InChI=1/C577-71-4 6246C=2CC3C1C=CC(C1)C3C=2 DICYCLOPEHECLRDQV -1 InChI=1/C177-73-6 6247C=2CC3C1C=CC(C1)C3C=2 3a,4,7,7a- HECLRDQV 32 InChI=1/C11755-01-7 6247CC(O)(CC)CC 3-METHYL-FRDAATYA -23.6 InChI=1/C677-74-7 6248C=CS(=O)(=O)C=C 1,1'-SULF AFOSIXZFD -26 InChI=1/C477-77-0 6251

CRC HandbookO=S(=O)(OC)OC DIMETHYLSVAYGXNSJ -27 InChI=1/C277-78-1 6252O=S1(=O)CC=CC1 2,5-DIHYD MBDNRNMV 64.5 InChI=1/C477-79-2 6253

Merck Index (2N#CP(=O)(OCC)N(C)C TABUN PJVJTCIRV -50 InChI=1/C577-81-6 6254CRC CC(CO)(CO)CO 1,3-PropanQXJQHYBH 204 InChI=1/C577-85-0 6256

CCCCOC(=O)CC(CC(=O)OCCCCACETYL TR QZCLKYGR -80 InChI=1/C277-90-7 6259OC(CC(=O)OCCCC)(CC(=O)OCButyl Citra ZFOZVQLO -20 InChI=1/C177-94-1 6261O=C(O)CCS 3-MERCAPTDKIDEFUB 18 InChI=1/C3107-96-0 6267

CRC CCO[Si](OCC)(OCC)OCC TetraethoxBOTDANWD -82.5 InChI=1/C878-10-4 6270CRC (2007) O=[N+]([O-])OCC(CO[N+](=O)PENTAERYTTZRXHJWU 140.5 InChI=1/C578-11-5 6271

OC(OCC(COC(O)C(Cl)(Cl)Cl)(COCPentaerythrOKACKALP 53 InChI=1/C178-12-6 6272C#CC1(O)CCCCC1 1-ETHYNYLQYLFHLNF 31.5 InChI=1/C878-27-3 6277CC(CC)(CC)OC(=O)N 3-PentanolSLWGJZPK 56 InChI=1/C778-28-4 6278Cc1ccc(cc1)OP(=O)(Oc2ccc(CTRI-P-CRE BOSMZFBH 77.5 InChI=1/C278-32-0 6281S=P(SC1OCCOC1SP(=S)(OCC)DIOXATHI VBKKVDGJ -20 InChI=1/C178-34-2 6283CCOP(=O)(OCC)OCC TRIETHYL DQWPFSLD -56.4 InChI=1/C678-40-0 6287Clc3ccc(CC(O)(c1ccc(C)cc1)c Triparanol SYHDSBBKR 103 InChI=1/C278-41-1 6288CCCCC(COP(=O)(OCC(CC)CCCTRIS(2-ET GTVWRXDR -74 InChI=1/C278-42-2 6289CCCCOCCOP(=O)(OCCOCCCCTRI-2-BUT WTLBZVNB -70 InChI=1/C178-51-3 6292Nc1nc(CSP(=S)(OC)OC)nc(N) MENAZONSUYHYHLF 165 InChI=1/C678-57-9 6295O=C1C=C(C)CC(C)(C)C1 ISOPHOROHJOVHMDZ -8.1 InChI=1/C978-59-1 6296

ChemFinder (2CC(C)(C)OOC(C)(C)CCC(C)(C) Varox DMWVYCCG 8 InChI=1/C178-63-7 6297N#CC(C)(C)/N=N/C(C)(C)C#N 2,2'-AzobisOZAIFHUL 101.5 InChI=1/C878-67-1 6299CCC(C)(O)CCCC(C)C 3,7-DimethDLHQZZUE 31.5 InChI=1/C157706-88-4 6300

Lewis, RJ (2000ClCC1(CCl)COC1 Oxetane, 3,CXURGFRD 18.7 InChI=1/C578-71-7 6302BrC(C)CBr 1,2-DIBR XFNJYAKDB -55.49 InChI=1/C378-75-1 6305

Merck 2001 BrC(C)CC 2-BROMOBUPSXAPQY -112 InChI=1/C478-76-2 6306CC(C)CBr ISOBUTYL HLVFKOKEL -119 InChI=1/C478-77-3 6307

CRC HandbookCC(C)CC ISOPENTA QWTDNUCV -159.77 InChI=1/C578-78-4 6308C=C(C)C=C 2-METHYL-RRHGJUQN -145.9 InChI=1/C578-79-5 6309

Merck Index CC(C)CN ISOBUTYLAKDSNLYIM -85 InChI=1/C478-81-9 6310CC(C)C#N 2-METHYLPLRDFRRGE -71.5 InChI=1/C478-82-0 6311CC(C)CO ISOBUTYL ZXEKIIBDN -108 InChI=1/C478-83-1 6312CC(C)C=O ISOBUTYR AMIMRNSI -65.9 InChI=1/C478-84-2 6313

C=C(C)C=O METHACROSTNJBCKS -81 InChI=1/C478-85-3 6314CC(Cl)CC 2-CHLORO BSPCSKHA -140 InChI=1/C478-86-4 6315CC(Cl)CC ISOBUTYL BSPCSKHA -130.3 InChI=1/C4513-36-0 6315CC(Cl)CCl 1,2-DICHL KNKRKFAL -100 InChI=1/C378-87-5 6316C=C(Cl)CCl 2,3-DICHL FALCMQXT 10 InChI=1/C378-88-6 6317CC(O)CC 2-BUTANOBTANRVKW -114.7 InChI=1/C478-92-2 6320

CRC HandbookCC(=O)CC 2-BUTANOZWEHNKRN -86.6 InChI=1/C478-93-3 6321CRC (2007) CC(=O)CCl CHLOROACBULLHNJG -44.5 InChI=1/C378-95-5 6323

ClCC(Cl)Cl 1,1,2-TRI UBOXGVDO -36.6 InChI=1/C279-00-5 6326CCC(N)=O PROPRIONQLNJFJADR 81.3 InChI=1/C379-05-0 6330C=CC(N)=O ACRYLAMI HRPVXLWX 84.5 InChI=1/C379-06-1 6331ClCC(N)=O CHLOROACVXIVSQZS 121 InChI=1/C279-07-2 6332

CRC (2007) C=CC(=O)O ACRYLIC ACNIXOWILD 12.5 InChI=1/C379-10-7 6333CC(=O)NC N-METHYLOHLUUHNL 28 InChI=1/C379-16-3 6334CC(=O)OC METHYL ACKXKVLQRX -98 InChI=1/C379-20-9 6335

CRC (2007) CC(=O)OO PEROXYACEKFSLWBXX -0.2 InChI=1/C279-21-0 6336ClC(=O)OC METHYL C XMJHPCRA -61 InChI=1/C279-22-1 6337[O-][N+](=O)CC NITROETH MCSAJNNL -89.5 InChI=1/C 79-24-3 6338BrC(Br)C(Br)Br 1,1,2,2-T QXSZNDII 0 InChI=1/C279-27-6 6339CC(C)C(C)C 2,3-DIMETZFFMLCVR -128.8 InChI=1/C679-29-8 6340

CRC CC(C)C(=O)O ISOBUTYRIKQNPFQTW -46 InChI=1/C479-31-2 6341ClC(Cl)C(Cl)Cl 1,1,2,2-T QPFMBZIO -43.8 InChI=1/C279-34-5 6342

CRC (2007) F/C(F)=C(/Cl)F CHLOROTRUUAGAQFQ -158 InChI=1/C279-38-9 6345F/C(F)=C(\Cl)F CHLOROTRUUAGAQFQ -108.9 InChI=1/C2359-29-5 6345

Aldrich (1998) C=C(C)C(N)=O Methacryl FQPSGWSU 110 InChI=1/C479-39-0 6346CN(C)C(Cl)=O DIMETHYL YIIMEMSD -33 InChI=1/C379-44-7 6348FC(F)(F)C(=O)C(Cl)(F)F CHLOROPEOJUUDWYP -133 InChI=1/C379-53-8 6351Oc1cc(c(O)cc1C(C)(C)CC)C(C)1,4-BenzeneCZNRFEXEP 180 InChI=1/C179-74-3 6359CC2(C)C(=C)C1CCC2C1 CAMPHENECRPUJAZIX 51.2 InChI=1/C179-92-5 6364CC2(C)C(=C)C1CCC2C1 Bicyclo 2. CRPUJAZIX 51.5 InChI=1/C1565-00-4 6364CC2(C)C(=C)C1CCC2C1 (+)-CamphCRPUJAZIX 52 InChI=1/C1 3/6/5794 6364Brc1cc(cc(Br)c1O)C(C)(C)c2cc2,2-BIS(4 VEORPZCZ 181 InChI=1/C179-94-7 6366

Aldrich (1998) Clc1cc(cc(Cl)c1O)C(C)(C)c2cc(Tetrachlor KYPYTERU 135 InChI=1/C179-95-8 6367Aldrich (1998) Cc1cc(ccc1O)C(C)(C)c2ccc(O)3,3'-Dimet YMTYZTXU 139 InChI=1/C179-97-0 6368

O=S(=O)(c1ccc(Cl)cc1)c2cccc SULPHENOOFCFYWOK 94 InChI=1/C180-00-2 6369O=S(=O)(c1ccc(N)cc1)c2ccc( 2-p-SulfaniLLBKEUTW 131 InChI=1/C180-02-4 6370CC(C)(c1ccc(O)cc1)c2ccc(O)c DIPHENYL IISBACLAF 153 InChI=1/C180-05-7 6371OC(C)(c1ccc(Cl)cc1)c2ccc(Cl) DIMITE URYAFVKL 70 InChI=1/C180-06-8 6372O=S(=O)(c1ccc(Cl)cc1)c2ccc(CBenzene, 1,GPAPPPVR 147.9 InChI=1/C180-07-9 6373Oc1ccc(cc1)S(=O)(=O)c2ccc(OPhenol, 4,4VPWNQTHU 240.5 InChI=1/C180-09-1 6374Cc1ccc(cc1)S(=O)(=O)N(C)N=BENZENESUFFKZOUIE 60 InChI=1/C880-11-5 6376OOC(C)(C)c1ccccc1 CUMENE HYQHLDYVW -9 InChI=1/C980-15-9 6377O=S(=O)(Nc1ccc(Cl)nn1)c2cc SulfachlorpXOXHILFP 187 InChI=1/C180-32-0 6382Clc1ccc(cc1)S(=O)(=O)Oc2cccCHLORFENRZXLPPRP 86.5 InChI=1/C180-33-1 6383O=S(=O)(OCC)c1ccc(C)cc1 ETHYL-P-MVRZVPALEJ 34.5 InChI=1/C980-40-0 6386

CC(C)(OOC(C)(C)c1ccccc1)c2cPEROXIDE,XMNIXWIU 40.6 InChI=1/C180-43-3 6389COS(=O)(=O)c1ccc(C)cc1 BenzenesulfVUQUOGPM 28.5 InChI=1/C880-48-8 6393

Aldrich (1998) CC1(N)CCC(CC1)C(C)(C)N p-MenthaneKOGSPLLR -45 InChI=1/C180-52-4 6398CC1(O)CCC(CC1)C(C)(C)O Terpin RBNWAMSG 158 InChI=1/C180-53-5 6399CC1(O)CCC(CC1)C(C)(C)O trans-TerpiRBNWAMSG 158.5 InChI=1/C1565-50-4 6399

CRC HandbookCC2(C)C1CC=C(C)C2C1 ALPHA-PINGRWFGVWF -62.5 InChI=1/C180-56-8 6402CC2(C)C1CC=C(C)C2C1 (+)-alpha- GRWFGVWF -62 InChI=1/C17785-70-8 6402CC2(C)C1CC=C(C)C2C1 Bicyclo 3.1GRWFGVWF -61 InChI=1/C17785-26-4 6402CC2(C)C1CC=C(C)C2C1 DL-PIN-2(3GRWFGVWF -55 InChI=1/C12437-95-8 6402BrC(CC)C(=O)O A-BROMOBUYAQLSKVCT -4 InChI=1/C480-58-0 6403CCC(N)C(=O)O ALPHA-AMIQWCKQJZI 304 InChI=1/C480-60-4 6405

CRC (2007) C=C(C)C(=O)OC METHYL MVVQNEPGJ -47.55 InChI=1/C580-62-6 6406Lide, DR ET AL O=C1CCC(C)=C1O Cyclotene CFAKWWQI 106.5 InChI=1/C680-71-7 6408

O=C1N(C)CCN1C 1,3-DimethCYSGHNMQ 8.2 InChI=1/C580-73-9 6409Cc1c(onc1C)N(C(C)=O)S(=O)(Acetyl sulf JFNWFXVF 193.5 InChI=1/C180-74-0 6410

Lide, DR ET AL.O=[N+]([O-])c1c(C)c(c(C)c(c1 Musk keto WXCMHFPA 135.5 InChI=1/C181-14-1 6417O=S(=O)(O)c2c(N)ccc1ccccc12-AMINO-1GWIAAIUA 180 InChI=1/C181-16-3 6418Cc1cccc(C)c1[N+](=O)[O-] 1,3-DIMETHDFQKJQE 15 InChI=1/C881-20-9 6420O=C4OC(=O)c1ccc2C(=O)OC(2 BenzopyrYTVNOVQH 450 InChI=1/C181-30-1 6426O=C2c1ccccc1C(=O)c3c2c(N)c1-AMINO- ZINRVIQB 221 InChI=1/C181-49-2 6429O=C2c1ccccc1C(=O)c3c2c(O)PURPURINBBNQQADT 259 InChI=1/C181-54-9 6431O=C2c1ccccc1C(=O)c3c2c(O)1,4-DIHYD GUEIZVNY 200 InChI=1/C181-64-1 6433O=C3OC(=O)c2cccc1cccc3c1 1,8-NaphthGRSMWKLP 270 InChI=1/C181-84-5 6438O=C3c4ccccc4c2cccc1cccc3c BENZANTHHUKPVYBU 170 InChI=1/C182-05-3 6442O=C(O)c3ccc2C(=O)c1ccccc1 1-AMINOANMMKNBFSD 295.5 InChI=1/C182-24-6 6446O=C3c1ccccc1C(=O)c2c3ccc( 1-AMINO-2ZLCUIOWQ 205.5 InChI=1/C182-28-0 6447[O-][N+](=O)c3cccc2C(=O)c1 1-NITROA YCANAXVB 231.5 InChI=1/C182-34-8 6448[O-][N+](=O)c3cccc2c3C(=O) 9,10-AnthraXVMVHWDC 385 InChI=1/C182-35-9 6449O=C3c1ccccc1C(=O)c2c3cccc1-CHLORO BOCJQSFS 163 InChI=1/C182-44-0 6453O=C3c1ccccc1C(=O)c2c3cccc1-AMINOAKHUFHLFH 253.5 InChI=1/C182-45-1 6454COc1c3ccoc3cc2OC(C)=CC(=OVisnagin NZVQLVGO 144.5 InChI=1/C182-57-5 6460Clc1c([N+]([O-])=O)c(O)c(Cl)c3,4,6-TRI XWLBYVXD 92.5 InChI=1/C682-62-2 6462O=C2c1ccccc1C(=O)C2C(=O)C(DIPHACIN JYGLAHSAI 146.5 InChI=1/C282-66-6 6463

Merck Index Clc1c(c(Cl)c(Cl)c(Cl)c1Cl)[N+] PENTACHLLKPLKUMX 144 InChI=1/C682-68-8 6464O=[N+]([O-])c1c(O)c(cc([N+](2,4,6-TRI IXHMHWIB 175.5 InChI=1/C682-71-3 6465Oc1c(C(=O)O)c(cnc1C)CO 4-PyridoxicHXACOUQI 247.5 InChI=1/C882-82-6 6467O=C3c2cccc1cccc(c12)C3=O 1,2-ACENAAFPRJLBZL 261 InChI=1/C182-86-0 6468CN1CCN(CC1)C(c2ccccc2)c3cCYCLIZINE UVKZSORB 105.5 InChI=1/C182-92-8 6470

Aldrich (1998) Clc1ccc(cc1)C(C(=O)O)c2ccc(CDDA YIOCIFXUG 168 InChI=1/C183-05-6 6474O=C4c1ccccc1C(=O)C4c2ccc3SOLVENT YIZMJMCDD 241 InChI=1/C18003-22-3 6475CC(C)(C)C(=O)C2C(=O)c1ccc PINDONE RZKYEQDP 109 InChI=1/C183-26-1 6476CC(C)CC(=O)C2C(=O)c1ccccc VALONE PVWMAOPF 68.5 InChI=1/C183-28-3 6477c1cc2cccc3CCc(c1)c23 ACENAPHTCWRYPZZK 93.4 InChI=1/C183-32-9 6478O=C1CCc2ccccc12 1H-Inden-1QNXSIUBB 42 InChI=1/C983-33-0 6479Cc2cnc1ccccc12 3-METHYLIZFRKQXVR 97.5 InChI=1/C983-34-1 6480

O=Cc1c(Cl)cccc1Cl 2,6-Dichlo DMIYKWPE 71.5 InChI=1/C783-38-5 6481OC(=O)c1cccc(C)c1O 3-METHYLSWHSXTWFY 165.5 InChI=1/C883-40-9 6482Cc1c(C)cccc1[N+](=O)[O-] 1,2-DIMETFVHAWXWF 15 InChI=1/C883-41-0 6483Cc1c(cccc1Cl)[N+]([O-])=O BENZENE, XCSNRORT 37.8 InChI=1/C783-42-1 6484CC(C)C(CC)CCC(C)C1CCC2C3 3-BETA, 5 LGJMUZUP 144 InChI=1/C283-45-4 6487O=C2C=CN(C)c1ccccc12 4(1H)-QuinCSJAXRKD 152 InChI=1/C183-54-5 6491O=C(C)N(C(C)=O)c1ccc(cc1C)DiacetazotYIEDSISP 75 InChI=1/C183-63-6 6494

CRC (2007) COc1c(cc(c(C)c1[N+]([O-])=O)Benzene, 1SUAUILGSC 85 InChI=1/C183-66-9 6496C=C(C)[C@@H]2Oc3ccc1C(=OROTENONEJUVIOZPC 176 InChI=1/C283-79-4 6500COc2c3ccoc3nc1c(OC)c(OC)cFURO[2,3- SLSIBLKBH 177 InChI=1/C183-95-4 6502NC(=O)C1CCN(CC1)CCCN2c4ccPIPAMAZINOSJJYEUE 139 InChI=1/C284-04-8 6503O=C2c3ccccc3c1ccccc1C2=O 9,10-PHE YYVYAPXY 209 InChI=1/C184-11-7 6505c1cc(ccc1)c3ccccc3c2ccccc2 O-TERPHENOIAQMFOK 56.2 InChI=1/C184-15-1 6508COc1cc2c(cc1)nccc2C(=O)C Quininone SRFCUPVB 108 InChI=1/C284-31-1 6510CCc2ccc3C(=O)c1ccccc1C(=O2-ETHYLA SJEBAWHU 109.5 InChI=1/C184-51-5 6514Cc2ccc3C(=O)c1ccccc1C(=O)c9,10-AnthrNJWGQARX 177 InChI=1/C184-54-8 6515ClC=1C(=O)C(C#N)=C(C#N)C(2,3-Dichlo HZNVUJQV 214.5 InChI=1/C884-58-2 6517

CRC HandbookO=C(OC1CCCCC1)c3ccccc3C(DICYCLOHEVOWAEIGW 66 InChI=1/C284-61-7 6519O=C(Oc1ccccc1)c3ccccc3C(= DIPHENYL DWNAQMUD 73 InChI=1/C284-62-8 6520

Patty's (3rd edCC(C)COC(=O)c1ccccc1C(=O)DI-ISOBUT MGWAVDBG -64 InChI=1/C184-69-5 6524Patty's (3rd edO=C(OCCCCCC)c1ccccc1C(=ODIHEXYL P KCXZNSGU -58 InChI=1/C284-75-3 6528CRC HandbookO=C(OCCCCCCCCCC)c1ccccc DIDECYL P PGIBJVOPL 2.5 InChI=1/C284-77-5 6530

O=S(=O)(O)c1ccc(O)c2ncccc15-QuinolineLGDFHDKS 322.5 InChI=1/C984-88-8 6534c2cc1ncccc1c3ccccc23 BENZO(F)QHCAUQPZE 94 InChI=1/C185-02-9 6538Brc1c(CC)c(Br)c(Br)c(Br)c1Br PENTABROFIAXCDIQX 138 InChI=1/C885-22-3 6542Clc1c(CC(=O)O)c(Cl)ccc1Cl FENAC QZXCCPZJC 161 InChI=1/C885-34-7 6546O=[N+]([O-])c1cccc(C(=O)O) P-NITROSALWWWFHFGU 148 InChI=1/C785-38-1 6548O=C1NC(=O)c2ccccc12 PHTHALIMIXKJCHHZQ 238 InChI=1/C885-41-6 6550

Sax O=C1OC(=O)C2CC=CCC12 TetrahydroKMOUUZVZ 101.9 InChI=1/C885-43-8 6551Merck Index (2O=C1OC(=O)c2ccccc12 PHTHALIC LGRFSURHD 130.8 InChI=1/C885-44-9 6552

O=S(=O)(O)c2cccc1ccccc12 1-NaphthalPSZYNBSK 140 InChI=1/C185-47-2 6553Ullmann On-LiOC(=O)c2ccccc2C(=O)c1cccc 2-BenzoylbFGTYTUFK 127 InChI=1/C185-52-9 6554Patty's; <-35 O=C(OCCCC)COC(=O)c1cccccBUTYLGLYCGOJCZVPJ -35 InChI=1/C185-70-1 6560

O=C(Nc1cc(C)ccc1)c2ccccc2C3'-MethylphAZPJXONNB 150 InChI=1/C185-72-3 6562[O-][N+](=O)c1cc(cc2cccnc1 QUINOLINEMIMUSZHM 159 InChI=1/C185-81-4 6563Nc3ccc1ccccc1c3/N=N/c2ccc2-NaphthalKLCDQSGL 103 InChI=1/C185-84-7 6564CCN(C(=O)N(CC)c1ccccc1)c2cDIETHYL D PZIMIYVO 79 InChI=1/C185-98-3 6567COc2ccccc2c1ccccc1 1,1'-Biphe NLWCWEGV 29 InChI=1/C186-26-0 6574CCn3c1ccccc1c2ccccc23 N-ETHYLCAPLAZXGNBG 68 InChI=1/C186-28-2 6575N#CC(c1ccccc1)c2ccccc2 DIPHENYLANEBPTMCR 74.3 InChI=1/C186-29-3 6576O=NN(c1ccccc1)c2ccccc2 DIPHENYLNUBUCNCOM 66.5 InChI=1/C186-30-6 6577O=C1C(CC(=O)N1C)c2ccccc2 N-METHYL-WLWFNJKH 72 InChI=1/C186-34-0 6578O=C(O)c2ccc1ccccc1c2O 2-NaphthalSJJCQDRG 195 InChI=1/C186-48-6 6583ClCc2cccc1ccccc12 NaphthalenXMWGTKZE 32 InChI=1/C186-52-2 6584N#Cc2cccc1ccccc12 1-NaphthalYJMNOKOL 37.5 InChI=1/C186-53-3 6585

O=C(O)c2cccc1ccccc12 1-NAPTHOILNETULKM 161 InChI=1/C186-55-5 6586[O-][N+](=O)c2cccc1ccccc12 1-NITRON RJKGJBPXV 61 InChI=1/C186-57-7 6588O=S(=O)(O)c2cc(cc1ccc(N)cc 2-NAPHTHYCMOLPZZV 274 InChI=1/C186-65-7 6590c1cccc2Cc3ccccc3c12 9H-FLUOR NIHNNTQX 114.8 InChI=1/C186-73-7 6592c1cccc2nc3ccccc3c12 CARBAZOLUJOBWOGC 246.2 InChI=1/C186-74-8 6593O=C(Oc1cccc2cccnc12)c3ccc BenzoxiquiBHKPHCKI 119 InChI=1/C186-75-9 6594Brc1cc2c3ccccc3oc2cc1 2-BROMODCRJISNQT 110 InChI=1/C186-76-0 6595CN(C)CCOc2nc(cc1ccccc12)CQuinisocai XNMYNYSC 146 InChI=1/C186-80-6 6596NC(=O)Cc2cccc1ccccc12 1-NaphthaXFNJVKMN 184 InChI=1/C186-86-2 6600O=C(O)Cc2cccc1ccccc12 NAPHTHALEPRPINYUDV 135 InChI=1/C186-87-3 6601

LIDE,DR (2001)Nc2cccc1cc(O)ccc12 2-NaphthalFSBRKZMS 190.6 InChI=1/C186-97-5 6603Clc1cc2nccc(Cl)c2cc1 QUINOLINEHXEWMTXD 93 InChI=1/C986-98-6 6604O=C(Nc1ccccc1)c2ccccc2O SALICYLANIWKEDVNSF 136.5 InChI=1/C187-17-2 6610Oc1ccccc1C(=O)OCC(C)C Benzoic aciPTXDBYSC 5.9 InChI=1/C187-19-4 6611Oc1ccccc1C(=O)OCCO Benzoic aciLVYLCBNX 37 InChI=1/C987-28-5 6616[O-][N+](=O)c1cc2nnoc2c(c1)DIAZODINIIFYCOVML 158 InChI=1/C687-31-0 6618COc1c(Cl)cc(Cl)cc1Cl 2,4,6-TRI WCVOGSZT 61.5 InChI=1/C787-40-1 6620O=C1OCc2ccccc12 PHTHALIDEWNZQDUSM 75 InChI=1/C887-41-2 6621CN(C)C(=O)Oc2cc(C)nn2c1cc PYROLAN GEDIWDLJK 50 InChI=1/C187-47-8 6623

ALDRICH (2000Brc1cc2c(cc1)NC(=O)C2=O 5-BromoisaMBVCESWA 249.5 InChI=1/C887-48-9 6624CN(C)Cc2cnc1ccccc12 1H-Indole-OCDGBSUV 138.5 InChI=1/C187-52-5 6625Nc1cccc(Cl)c1C 2-METHYL-ZUVPLKVD 1 InChI=1/C787-60-5 6628Cc1cccc(C)c1N 2,6-DIMETUFFBMTHB 11.2 InChI=1/C887-62-7 6630

ALDRICH (2000Cc1cccc(Cl)c1N BenzenaminWFNLHDJJZ 2 InChI=1/C787-63-8 6631Clc1cccc(Cl)c1O 2,6-DICHL HOLHYSJJB 68.5 InChI=1/C687-65-0 6633Cl/C(Cl)=C(/Cl)\C(\Cl)=C(/Cl)CHEXACHLORWNKSTSC -21 InChI=1/C487-68-3 6635Brc1c(Br)c(Br)c(Br)c(Br)c1Br HEXABROMCAYGQBVS 326 InChI=1/C687-82-1 6639Brc1c(C)c(Br)c(Br)c(Br)c1Br PENTABROOZHJEQVY 288 InChI=1/C787-83-2 6640Cc1c(C)c(C)c(C)c(C)c1C HEXAMETHYUWFEBAX 166.5 InChI=1/C187-85-4 6642CCC(CC)C(=O)O 2-ETHYLBUOXQGTIUC -31.8 InChI=1/C688-09-5 6649CCN(CC)C(Cl)=O Carbamic chOFCCYDUU -32 InChI=1/C588-10-8 6650O=C1CCCN1C=C N-VINYL-2 WHNWPMSK 13.5 InChI=1/C688-12-0 6651O=C(O)c1ccsc1 THIOPHENEYNVOMSDI 138 InChI=1/C588-13-1 6652CC(=O)c1cccs1 2-ACETYLTWYJOVVXU 10.5 InChI=1/C688-15-3 6654FC(F)(F)c1ccccc1Cl CHLORO(T DGRVQOKC -6 InChI=1/C788-16-4 6655FC(F)(F)c1ccccc1N BENZENAMIVBLXCTYLW 35.5 InChI=1/C788-17-5 6656CC(C)(C)c1ccccc1O O-T-BUTYLWJQOZHYU -6.8 InChI=1/C188-18-6 6657Cc1ccccc1S(=O)(N)=O O-METHYLYCMLQMDW 156.3 InChI=1/C788-19-7 6658Nc1ccccc1S(O)(=O)=O O-TOLUENEZMCHBSMF 67.5 InChI=1/C688-20-0 6660

ALDRICH (2000CC(C)(C)c2cc(cc(Cc1cc(CC)cc 2,2'-MethylGPNYZBKI 120.5 InChI=1/C288-24-4 6662ALDRICH (2000CC(C)(C)c1cc(cc(c1O)C(C)(C) 2,6-Di-ter HNURKXXM 140 InChI=1/C188-26-6 6663

CC(=O)c1cc2c(cc1CC)C(C)(C) Versalide KSEZPRJU 46.5 InChI=1/C188-29-9 6664Merck Index (2O=[N+]([O-])c1ccc(O)cc1C(F)(3-TRIFLUOZEFMBAFM 76 InChI=1/C788-30-2 6665

CC(C)(C)c1ccc(C)cc1O Phenol, 2-(XOUQAVYL 46.5 InChI=1/C188-60-8 6671Ullmann On-LiCc1cc(C)ccc1S(O)(=O)=O BenzenesulfCHZLVSBM 57 InChI=1/C888-61-9 6672

OC(=O)c1ccccc1Br O-BROMOBXRXMNWGC 150 InChI=1/C788-65-3 6674OC(=O)c1ccccc1I 2-IODOBENCJNZAXGUT 163 InChI=1/C788-67-5 6675CC(C)c1ccccc1O O-ISOPROPCRBJBYGJV 15.5 InChI=1/C988-69-7 6677O=[N+]([O-])c1cc(cc(C(C)CC) DINOSEB OWZPCEFY 40 InChI=1/C188-85-7 6684O=[N+]([O-])c1cc(Cl)cc(c1O)[4-CHLORO-KESYALTW 81 InChI=1/C688-87-9 6686O=[N+]([O-])c1cc(cc([N+]([O-2,4,6-TRI HJRJRUMK 83 InChI=1/C688-88-0 6687

Merck Index (2O=[N+]([O-])c1cc(cc([N+]([O-2,4,6-TRI OXNIZHLA 122.5 InChI=1/C688-89-1 6688O=C(N)c1ccccc1C(N)=O 1,2-BENZE NAYYNDKK 222 InChI=1/C888-96-0 6690

Ullmann On-LiOS(=O)(=O)c1ccc(cc1[N+]([O-2,4-DinitroOVOJUAKD 108 InChI=1/C689-02-1 6693OC(=O)c1cc(c(cc1C(=O)O)C( PYROMELLICYIDZMCF 276 InChI=1/C189-05-4 6695S=C(Sc1ccc(cc1[N+]([O-])=O) CarbamodithAIWZJEMZ 152.5 InChI=1/C989-37-2 6701[O-][N+](=O)c1ccc2C(=O)NC(4-NITROPHANYWGXDA 201 InChI=1/C889-40-7 6703O=C(C)Nc1ccccc1C(=O)O N-ACETYL QSACCXVH 185.5 InChI=1/C989-52-1 6705OC(=O)c1cc(C)ccc1O 5-METHYLSDLGBEGBH 151 InChI=1/C889-56-5 6707Cc1ccc(C)cc1[N+](=O)[O-] Benzene, 1,BSFHJMGR -25 InChI=1/C889-58-7 6708Cc1ccc(Cl)cc1[N+]([O-])=O BENZENE, SQFLFRQW 38 InChI=1/C789-59-8 6709O=[N+]([O-])c1cc(C)ccc1Cl Benzene, 1NWESJZZP 7 InChI=1/C789-60-1 6710O=[N+]([O-])c1cc(C)ccc1N 3-NITRO-4 DLURHXYX 45.5 InChI=1/C7119-32-4 6712

CRC HandbookNc1ccc(Cl)cc1[N+]([O-])=O 4-CHLORO-PBGKNXWG 116.5 InChI=1/C689-63-4 6713Oc1ccc(Cl)cc1[N+]([O-])=O 4-CHLORO-NWSIFTLPL 88.5 InChI=1/C689-64-5 6714Oc1cc(C)c(Cl)cc1C(C)C CHLOROTHKFZXVMNB 63 InChI=1/C189-68-9 6716Oc1ccccc1C(C)CC O-SEC-BUTNGFPWHGI 16 InChI=1/C189-72-5 6718CC(C)C1CCC(C)CC1=O (-)-MenthoNFLGAXVY -6 InChI=1/C114073-97-3 6720O=C(C)c1ccc(O)cc1O Ethanone, SULYEHHG 146 InChI=1/C889-84-9 6724Cc1cc(C)ccc1[N+](=O)[O-] 4-NITRO-MBBUPBICW 9 InChI=1/C889-87-2 6725Cc1ccccc1CBr BENZENE, WGVYCXYG 21 InChI=1/C889-92-9 6726Cc1ccccc1CN BenzenemeCJAAPVQE -30 InChI=1/C889-93-0 6727Cc1ccccc1CO BENZENEMEXPNGNIFU 38 InChI=1/C889-95-2 6728Brc2cccc1ccccc12 1-BROMONDLKQHBOK -1.8 InChI=1/C190-11-9 6735Cc2cccc1ccccc12 1-METHYL QPUYECUO -30.4 InChI=1/C190-12-0 6736Cc2cccc1ccccc12 METHYL NAQPUYECUO 34 InChI=1/C11321-94-4 6736Clc2cccc1ccccc12 1-CHLORO JTPNRXUC -2.5 InChI=1/C190-13-1 6737

Merck (2001) Oc2cccc1ccccc12 1-NAPHTHKJCVRFUGP 95 InChI=1/C190-15-3 6739O=C2N=NNc1ccccc12 1,2,3-BEN DMSSTTLD 217 InChI=1/C790-16-4 6740

ALDRICH (2000ClC(Cl)(Cl)C(OC(C)=O)c1cccccBenzenemetJKRWZLOCP 87.5 InChI=1/C190-17-5 6741CCC(C(N)=O)c1ccccc1 BENZENEACUNFGQCCH 86 InChI=1/C190-26-6 6744CCC(C(=O)O)c1ccccc1 BenzeneacetOFJWFSND 47.5 InChI=1/C190-27-7 6745c1ccc3ccccc3c1Nc2ccccc2 1-NAPHTHAXQVWYOYU 62 InChI=1/C190-30-2 6746Nc2ccccc2c1ccccc1 2-AMINOBITWBPWBPG 51 InChI=1/C190-41-5 6748O=C1CCCCC1C2CCCCC2 1,1'-Bicycl UOBQDYFT -32 InChI=1/C190-42-6 6749O=C1c3ccccc3Cc2ccccc12 9(10H)-A RJGDLRCD 155 InChI=1/C190-44-8 6751Nc1c3ccccc3nc2ccccc12 9-AMINOACXJGFWWJL 241 InChI=1/C190-45-9 6752Oc1c(C=O)cc(Br)cc1Br 3,5-DIBRO JHZOXYGF 86 InChI=1/C790-59-5 6757O=C(c1ccc(Br)cc1)c2ccccc2 METHANONKEOLYBMG 82.5 InChI=1/C190-90-4 6763CN(C)c1ccc(cc1)C(=O)c2ccc(c4,4-BIS(D VVBLNCFG 179 InChI=1/C190-94-8 6764

O=C(c1ccc(Cl)cc1)c2ccc(Cl)ccMethanone,OKISUZLXO 147.5 InChI=1/C190-98-2 6767ClC(c1ccccc1)c2ccccc2 Benzene, 1ZDVDCDLB 16 InChI=1/C190-99-3 6768NC(c1ccccc1)c2ccccc2 Benzhydry MGHPNCMV 34 InChI=1/C191-00-9 6769OC(c1ccccc1)c2ccccc2 BENZHYDRQILSFLSDH 69 InChI=1/C191-01-0 6770O=C(c1ccccc1)c2ccccn2 PHENYL-A-GCSHUYKUL 42 InChI=1/C191-02-1 6771

ALDRICH (2000OCc1cc(C)cc(CO)c1O 1,3-BenzenKUMMBDBT 129 InChI=1/C991-04-3 6772O=C=N\c1cccc(\N=C=O)c1C TOLUENE-2RUELTTOH 18.3 InChI=1/C991-08-7 6773COc1cccc(OC)c1O 2,6-DimethKLIDCXVF 56.5 InChI=1/C891-10-1 6774N#Cc1ccccc1C#N 1,2-DICYA XQZYPMVT 140 InChI=1/C891-15-6 6775C1CCC2CCCCC2C1 DECAHYDRNNBZCPXTI -43 InChI=1/C191-17-8 6777C1CCC2CCCCC2C1 CIS-BICYCLNNBZCPXTI -42.9 InChI=1/C1493-01-6 6777C1CCC2CCCCC2C1 TRANS-BICNNBZCPXTI -30.3 InChI=1/C1493-02-7 6777c1cccc2cccnc12 QUINOLINESMWDFEZZ -14.78 InChI=1/C991-22-5 6780

CRC (2007) COc1ccccc1[N+]([O-])=O 2-NITROANCFBYEGUG 10.5 InChI=1/C791-23-6 6781CC(=O)N(CCCC)c1ccccc1 Acetamide,ZWDZJRRQ 24.5 InChI=1/C191-49-6 6784COc1cc(ccc1C(=O)O)OC 2,4-DIMETGPVDHNVG 109 InChI=1/C991-52-1 6785Cc1c2ccccc2nc1C 1H-INDOLE,PYFVEIDRT 106 InChI=1/C191-55-4 6786Cc1ccc2ccccc2c1 2-METHYL QIMMUPPB 34.4 InChI=1/C191-57-6 6788Clc1ccc2ccccc2c1 2-CHLORO CGYGETOM 61 InChI=1/C191-58-7 6789Nc1ccc2ccccc2c1 2-NAPHTHJBIJLHTVP 113 InChI=1/C191-59-8 6790Sc1ccc2ccccc2c1 2-NaphthalRFCQDOVP 81 InChI=1/C191-60-1 6791Cc1ccc2ncccc2c1 6-METHYLQLUYISICIY -22 InChI=1/C191-62-3 6792CCN(CC)c1ccccc1 N,N-DIETHGGSUCNLO -38.8 InChI=1/C191-66-7 6794Oc1cccc(c1)N(CC)CC Phenol, 3-(WAVOOWVI 78 InChI=1/C191-68-9 6795Nc1nc(nc(N)n1)c2ccccc2 BENZOGUAGZVHEAJQ 226.5 InChI=1/C991-76-9 6797c1cc(ccc1)N2CN(CN(C2)c3ccc1,3,5-Triaz VASMRQAV 144 InChI=1/C291-78-1 6798

ALDRICH (2000COc1cc(ccc1/N=C=O)c2ccc(\ 3,3'-Dimet QZWKEPYT 114 InChI=1/C191-93-0 6802Nc1ccc(cc1Cl)c2ccc(N)c(Cl)c23,3'-DICH HUWXDEQW 132.5 InChI=1/C191-94-1 6803

ALDRICH (2000Nc1ccc(cc1N)c2ccc(N)c(N)c2 3,3'-Diami HSTOKWSF 176 InChI=1/C191-95-2 6804Ullmann On-LiO=C=N\c1ccc(cc1C)c2ccc(/N=1,1'-BiphenICLCCFKUS 71 InChI=1/C191-97-4 6805

Oc1ccc(cc1Cl)c2ccccc2 4-Phenyl-2BZWMYDJJ 77 InChI=1/C192-04-6 6807c1cc(ccc1)c2cccc(c2)c3ccccc m-TERPHE YJTKZCDB 87 InChI=1/C192-06-8 6809

Aldrich (1998) COc1ccccc1NC(=O)CC(C)=O Acetoacet-KYYRTDXO 86 InChI=1/C192-15-9 6811c1cccc2cc3cc4ccccc4cc3cc12TETRACEN IFLREYGF 357 InChI=1/C192-24-0 6813

Aldrich (1998) FC(F)(F)c1cc2Nc3ccccc3Sc2c TrifluoromRKGYJVAS 189 InChI=1/C192-30-8 6815Nc1ccc(cc1)c2nc3ccc(C)cc3s2BenzenaminXRTJYEIML 194.8 InChI=1/C192-36-4 6820O=C1CCN(N1)c2ccccc2 1-PHENYL-CMCWWLVW 126 InChI=1/C992-43-3 6823Oc1cc2ccccc2cc1O 2,3-NAPHTJRNGUTKW 162 InChI=1/C192-44-4 6824Cc1ccc2OC(=O)C=Cc2c1 2H-1-BenzoFXFYOPQL 76.5 InChI=1/C192-48-8 6825C1CC(CCC1)C2CCCCC2 DICYCLOHEWVIIMZNL 4 InChI=1/C192-51-3 6827

ChemFinder (2c1cc(ccc1)c2ccccc2 DowthermZUOUZKKE 12 InChI=1/C18004-13-5 6828c1cc(ccc1)c2ccccc2 BIPHENYL ZUOUZKKE 69 InChI=1/C192-52-4 6828

ALDRICH (2000c1cc(ccc1)N2CCNCC2 Piperazine,YZTJYBJCZ 248.5 InChI=1/C12210-93-7 6829O=[N+]([O-])c1ccc(o1)C(OC( 2-NO2-5-DHSXKWKJC 91 InChI=1/C992-55-7 6830CCN(Cc1ccccc1)c2ccccc2 BenzenemetHSZCJVZRH 35 InChI=1/C192-59-1 6831

Nc1cc2nc3cc(N)ccc3cc2cc1 3,6-DIAMI WDVSHHCD 285 InChI=1/C192-62-6 6832Brc1ccc(cc1)c2ccccc2 4-BROMOBPKJBWOWQ 91.5 InChI=1/C192-66-0 6834Nc1ccc(cc1)c2ccccc2 4-AMINOBIDMVOXQPQ 53.5 InChI=1/C192-67-1 6835O=C(O)c1cc2ccccc2cc1O 2-NAPHTHAALKYHXVL 222.5 InChI=1/C192-70-6 6837c1ccc(cc1)c2ncc(o2)c3ccccc3OXAZOLE, 2CNRNYORZ 74 InChI=1/C192-71-7 6838c1ccc2Oc3ccccc3Cc2c1 9H-XANTHGJCOSYZM 100.5 InChI=1/C192-83-1 6840c1ccc2Sc3ccccc3Sc2c1 THIANTHR GVIJJXMXT 159.3 InChI=1/C192-85-3 6842Brc1ccc(cc1)c2ccc(Br)cc2 4,4'-DIBR HQJQYILBC 164 InChI=1/C192-86-4 6843Nc1ccc(cc1)c2ccc(N)cc2 BENZIDINEHFACYLZER 120 InChI=1/C192-87-5 6844Oc1ccc(cc1)c2ccc(O)cc2 4,4'-BIPHE VCCBEIPG 283 InChI=1/C192-88-6 6845O=C(C)c1ccc(cc1)c2ccccc2 4-ACETYLBQCZZSANN 121 InChI=1/C192-91-1 6846c1cc(ccc1)c2ccc(cc2)c3ccccc 1,1':4',1'' XJKSTNDFU 210.1 InChI=1/C192-94-4 6848O=S(=O)(O)c1ccc2cc(O)ccc2c2-NaphthalVVPHSMHE 125 InChI=1/C193-01-6 6850COc1ccc2ccccc2c1 NAPHTHALELUZDYPLA 73.5 InChI=1/C193-04-9 6852COc1cc(ccc1OC)C(=O)O BENZOIC ADAUAQNGY 180 InChI=1/C96159-60-0 6854COc1cc(ccc1OC)C(=O)O 3,4-DIMETDAUAQNGY 181 InChI=1/C993-07-2 6854CC(=O)c1ccc2ccccc2c1 1-(2-NAPHXSAYZAUN 56 InChI=1/C193-08-3 6855O=C(O)c1ccc2ccccc2c1 2-NAPHTHOUOBYKYZJ 185.5 InChI=1/C193-09-4 6856O=C(O)c1ccc2ccccc2n1 2-QuinolineLOAUVZAL 156 InChI=1/C193-10-7 6857ClS(=O)(=O)c1ccc2ccccc2c1 2-NaphthalOPECTNGA 81 InChI=1/C193-11-8 6858CCOc1ccc2ccccc2c1 NaphthalenGUMOJENF 37.5 InChI=1/C193-18-5 6862OCCOc1ccc2ccccc2c1 2-(2-NaphtBQPBZDSD 76.7 InChI=1/C193-20-9 6864COc1ccccc1CC(=O)O BenzeneaceIVEWTCAC 124 InChI=1/C993-25-4 6867COc1cc(ccc1OC(C)=O)CC=C EUGENYL ASCCDQYPE 30.5 InChI=1/C193-28-7 6869Cc1cc2nc(C)ccc2cc1 Quinoline, QXKPLNCZ 61 InChI=1/C193-37-8 6871Oc3ccc(Nc1cc2ccccc2cc1)cc34-(2-NAPHRACMGQBQ 140 InChI=1/C193-45-8 6874

Lide, DR ET AL c1cc5ccccc5cc1Nc2ccc(cc2)NDiafen NN VETPHHXZ 235 InChI=1/C293-46-9 6875BrCC(Br)c1ccccc1 (1,2-DIBR SHKKTLSDG 75 InChI=1/C893-52-7 6878O=C(CC)c1ccccc1 PROPIOPHKRIOVPPH 18.6 InChI=1/C993-55-0 6881OC(CO)c1ccccc1 1,2-EthanedPWMWNFMR 67.5 InChI=1/C893-56-1 6882COC(=O)c1ccccc1 BENZOIC AQPJVMBTY -15 InChI=1/C893-58-3 6883

Aldrich (1998) OC(=O)CN(CC(=O)O)CCO N-(2-HydroJYXGIOKA 178 InChI=1/C693-62-9 6885Clc1cc(C)c(OC(C)C(=O)O)cc1 MCPP WNTGYJSO 94 InChI=1/C17085-19-0 6886Clc1cc(C)c(OC(C)C(=O)O)cc1 MECOPROPWNTGYJSO 94.5 InChI=1/C193-65-2 6886Clc1cc(C)c(OC(C)C(=O)O)cc1 Mecoprop-WNTGYJSO 95 InChI=1/C116484-77-8 6886

Aldrich (1998) O=C(Nc1ccccc1C)CC(C)=O ButanamideTVZIWRME 105 InChI=1/C193-68-5 6887Aldrich (1998) N=C(N)NC(=N)Nc1ccccc1C 2-Tolylbig SQZCAOHY 144 InChI=1/C993-69-6 6888Lide, DR ET AL Clc1ccccc1NC(=O)CC(C)=O ButanamideBFVHBHKM 105 InChI=1/C193-70-9 6889CRC Clc1cc(OC(C)C(=O)O)c(Cl)cc1SILVEX ZLSWBLPER 181.6 InChI=1/C993-72-1 6891

S=C1Sc2nc3ccccc3nc2S1 THIOQUIN ILERPRJWJ 180 InChI=1/C993-75-4 6892Clc1cc(OCC(=O)OC(C)C)c(Cl)c2,4,5-T, I SXHQLHGH 45 InChI=1/C193-78-7 6893Clc1cc(OCC(=O)OCCCC)c(Cl)c2,4,5-T, N FNEXNZUH 28.5 InChI=1/C193-79-8 6894O=C(OCC)c1ccccc1 ETHYL BENMTZQAGJQ -34 InChI=1/C993-89-0 6897O=C(CC(C)=O)c1ccccc1 1,3-ButaneCVBUKMMM 56 InChI=1/C193-91-4 6898O=C(OC(=O)c1ccccc1)c2cccc BENZOIC ACHIHQLCV 42.5 InChI=1/C193-97-0 6899

O=C(Nc1ccccc1)c2ccccc2 BENZANILIZVSKZLHK 163 InChI=1/C193-98-1 6900O=C(Oc1ccccc1)c2ccccc2 PHENYL BEFCJSHPDY 71 InChI=1/C193-99-2 6901OC(CNC)c1ccc(O)cc1 SYNEPHRINYRCWQPVG 184.5 InChI=1/C994-07-5 6904Clc1cc(Cl)ccc1OCC(=O)OC(C) 2,4-D, ISO WHOKDOND 5 InChI=1/C194-11-1 6905Nc1ccc(cc1)C(=O)OCCC PROPYL-P NBFQYHKH 75 InChI=1/C194-12-2 6906Oc1ccc(cc1)C(=O)OCCC P-HYDROXYQELSKZZB 97 InChI=1/C194-13-3 6907Nc1ccc(cc1)C(=O)OCC(C)C Benzoic aciPUYOAVGN 64.5 InChI=1/C194-14-4 6908CCOc1ccc(cc1)C(=O)OCCN(CCParethoxycOWWVHQUO 173 InChI=1/C194-23-5 6915Oc1ccc(cc1)C(=O)OCCCC P-HYDROXYQFOHBWFC 68.5 InChI=1/C194-26-8 6916OC(COC(N)=O)c1ccccc1 Styramate OCSOHURO 111.5 InChI=1/C994-35-9 6918O=C(OOC(=O)c1ccccc1)c2cccBENZOYL POMPJBNCR 105 InChI=1/C194-36-0 6919

Lide, DR ET AL S=C(SSC(=S)N1CCCCC1)N2CCDipentametKNBRWWCH 137.5 InChI=1/C194-37-1 6920[O-][N+](=O)c1cc2ncnc2cc1 1H-BENZIMXPAZGLFM 208 InChI=1/C794-52-0 6927O=C(O)c1ccc2OCOc2c1 1,3-BenzodiVDVJGIYX 229 InChI=1/C894-53-1 6928O=CNc1ccccc1C Formamide,ZXTLGJAA 62 InChI=1/C894-69-9 6933Clc1cc(C)c(OCC(=O)O)cc1 2-METHYL-WHKUVVPP 120 InChI=1/C994-74-6 6935

CRC HandbookClc1cc(C)c(OCCCC(=O)O)cc1 MCPB LLWADFLA 100 InChI=1/C194-81-5 6938Clc2cc(Cl)ccc2OCCOC(=O)c1c2,4-DEB LGURYBCS 66 InChI=1/C194-83-7 6939ClCc1ccc(Cl)cc1Cl 2,4-DICHL IRSVDHPYX -2.6 InChI=1/C794-99-5 6942O=Cc1ccc(O)cc1O BenzaldehyIUNJCFABH 135 InChI=1/C795-01-2 6943CCN(CC)C(=S)SC(=S)N(CC)CC Sulfiram CTPKSRZFJ 31 InChI=1/C195-05-6 6945N#CC2CC1C=CC2C1 5-NORBORNBMAXQTDM 13 InChI=1/C895-11-4 6948c1cccc2CC=Cc12 INDENE YBYIRNPNP -1.8 InChI=1/C995-13-6 6949c1cccc2nnnc12 1H-BENZOTQRUDEWIW 100 InChI=1/C695-14-7 6950c1cccc2sccc12 BENZOTHI FCEHBMOG 31.5 InChI=1/C811095-43-5 6951c1cccc2sccc12 BENZO(B)TFCEHBMOG 32 InChI=1/C895-15-8 6951c1cccc2scnc12 BENZOTHI IOJUPLGT 2 InChI=1/C795-16-9 6952Cc1cc2ccccc2n1 2-METHYLIBHNHHSOH 61 InChI=1/C995-20-5 6954Cc1nc2ccccc2o1 BenzoxazolDQSHFKPK 9.5 InChI=1/C895-21-6 6955

Aldrich (2000) Clc1ccc2NC(=N)Sc2c1 2-BenzothiVMNXKIDU 200 InChI=1/C795-24-9 6956Aldrich (2000) Cc1cc2nc(C)sc2cc1 BenzothiazoXHANCLXY 38 InChI=1/C995-26-1 6957Lewis, RJ (2000c1cccc2sc(nc12)SSN3CCOCC34-MorpholinQRYFCNPY 135 InChI=1/C195-32-9 6961

c1cccc2sc(nc12)SNC3CCCCC3N-CyclohexDEQZTKGF 98 InChI=1/C195-33-0 6962CRC Handbook Cc1ccccc1C O-XYLENE CTQNGGLP -25.2 InChI=1/C895-47-6 6967CRC Handbook Oc1ccccc1Br O-BROMOPVADKRMSM 5.6 InChI=1/C695-56-7 6974

ClC1OCCOC1Cl 1,4-DioxaneZOZUXFQY 30 InChI=1/C495-59-0 6976Cc1cc(C)c(C)cc1 1,2,4-TRI GWHJZXXI -43.8 InChI=1/C995-63-6 6977Cc1cc(Cl)ccc1N 2-METHYL-CXNVOWPR 30.3 InChI=1/C795-69-2 6981Nc1ccc(N)c(C)c1 2,5-DIAMI OBCSAIDC 64 InChI=1/C795-70-5 6982Oc1ccc(O)c(C)c1 1,4-BENZE CNHDIAIO 128 InChI=1/C795-71-6 6983

CRC (2007) Nc1cc(Cl)c(C)cc1 3-CHLORO-RQKFYFNZ 26 InChI=1/C795-74-9 6985Oc1cc(Cl)c(Cl)cc1 3,4-DICHL WDNBURPW 68 InChI=1/C695-77-2 6988Nc1cc(Cl)ccc1C 5-CHLORO-WRZOMWDJ 26 InChI=1/C795-79-4 6990Nc1cc(N)c(C)cc1 2,4-TOLUEVOZKAJLKR 99 InChI=1/C795-80-7 6991Nc1cc(Cl)ccc1N 4-CHLORO-BXIXXXYDD 76 InChI=1/C695-83-0 6993

Cc1ccc(O)c(N)c1 PHENOL, 2ZMXYNJXD 136 InChI=1/C795-84-1 6994Nc1cc(Cl)ccc1O PHENOL, 2SWFNPENE 140 InChI=1/C695-85-2 6995CCOC(=O)C(=O)OCC ETHYL OXAWYACBZDA -40.6 InChI=1/C695-92-1 6998Cc1cc(C)c(C)cc1C 1,2,4,5-T SQNZJJAZB 79.3 InChI=1/C195-93-2 6999Oc1cc(Cl)c(Cl)cc1Cl 2,4,5-TRI LHJGJYXLE 69 InChI=1/C695-95-4 7001

Aldrich (2000) CC1OC(=O)C(C)OC1=O Dilactide JJTUDXZGH 117.5 InChI=1/C695-96-5 7002CRC Handbook c1ccccc1C2CO2 STYRENE OAWMVMTVK -35.6 InChI=1/C896-09-3 7005

BrC(CBr)CBr Propane, 1FHCLGDLY 16.9 InChI=1/C396-11-7 7007BrC(CBr)CCl 1,2-DIBR WBEJYOJJ 6 InChI=1/C396-12-8 7008CC(CC)CC 3-METHYL PFEOZHBO -162.9 InChI=1/C696-14-0 7010CC(CC)C=O 2-METHYL BYGQBDHU 91 InChI=1/C596-17-3 7012

CRC ClCC(Cl)CCl 1,2,3-TRI CFXQEHVM -14.7 InChI=1/C396-18-4 7013CRC HandbookCCC(=O)CC 3-PENTAN FDPIMTJIU -39 InChI=1/C596-22-0 7016

CNC(=O)NC DIMETHYLUMGJKQDOB 108 InChI=1/C396-31-1 7021Hawley C=CC(=O)OC METHYL ACBAPJBEWL -76.5 InChI=1/C496-33-3 7022

CC1CCCC1 METHYLCYGDOPTJXR -142.5 InChI=1/C696-37-7 7024OC1CCCC1 CYCLOPENXCIXKGXIY -19 InChI=1/C596-41-3 7026Clc1cccs1 2-CHLORO GSFNQBFZ -71.9 InChI=1/C496-43-5 7027

CRC HandbookO=C1CCCO1 GAMMA-BUYEJRWHAV -43.3 InChI=1/C496-48-0 7029O=C1OCCO1 1,3-DIOXOKMTRUDSV 39.5 InChI=1/C396-49-1 7030CC(OP(C)(F)=O)C(C)(C)C SOMAN GRXKLBBBQ -42 InChI=1/C796-64-0 7032

Aldrich (2000) CC(C)(C)c2cc(Sc1cc(C)c(O)c(cPhenol, 4,4YFHKLSPM 125.5 InChI=1/C296-66-2 7033CHEM INSPECT CC(C)(C)c2cc(Sc1cc(c(O)cc1C)4,4'-ThiobiHXIQYSLFE 162 InChI=1/C296-69-5 7034

CC(C)(C)c1cc(ccc1O)C(C)(C)C 2,4-DI-T- ICKWICRCA 56.5 InChI=1/C196-76-4 7037CC(C)N(CCO)C(C)C 2-(BIS(1- ZYWUVGFI -39 InChI=1/C896-80-0 7039

Aldrich (1998) Ic1cc(I)c(O)c(I)c1CC(CC)C(=O IophenoxicGOIQOQCN 147 InChI=1/C196-84-4 7041OC(=O)c1cc(ccc1O)[N+]([O-] 5-NITROSALPPDRLQLKH 229.5 InChI=1/C796-97-9 7042O=[N+]([O-])c1cc(ccc1Cl)C(= Benzoic aciDFXQXFGF 182.8 InChI=1/C796-99-1 7044O=[N+]([O-])c1cc(ccc1N)[N+]2,4-DINITRLXQOQPGN 180 InChI=1/C697-02-9 7045Oc1ccc(cc1C(=O)O)S(O)(=O) Benzoic aciYCPXWRQR 120 InChI=1/C797-05-2 7046Clc2cc(Cl)ccc2OS(=O)(=O)c1cGENITE OZFAFGSS 45.5 InChI=1/C197-16-5 7050Oc2ccc(Cl)cc2Sc1cc(Cl)ccc1ODI(2-HYDR ANUSOIHII 174 InChI=1/C197-24-5 7052Cc2ccccc2NC(=N)Nc1ccccc1CGuanidine,OPNUROKC 179 InChI=1/C197-39-2 7056

Aldrich (2000) Nc1ccc(cc1OC)[N+]([O-])=O BenzenaminGVBHRNIW 141 InChI=1/C797-52-9 7060CC(C)C(=O)OCC ETHYL ISO WDAXFOBO -88.2 InChI=1/C697-62-1 7065

MSDS C=C(C)C(=O)OCC ETHYL METSUPCQIBB -75 InChI=1/C697-63-2 7066CC(C)C(=O)OC(=O)C(C)C Propanoic aLSACYLWP -53.5 InChI=1/C897-72-3 7069CN(C)C(=S)SC(=S)N(C)C TETRAMETREQPQFUJ 109.5 InChI=1/C697-74-5 7070CC(C)C(=O)OCC(C)C ISOBUTYL RXGUIWHI -80.7 InChI=1/C897-85-8 7073CC(=C)C(=O)OCCCC METHACRYLSOGAXMIC -75 InChI=1/C897-88-1 7076

CRC HandbookCCB(CC)CC TRIETHYLBLALRXNPLT -93 InChI=1/C697-94-9 7079CRC (2000) OCc1ccco1 2-HYDROXXPFVYQJU -14.6 InChI=1/C598-00-0 7083

CC(C)(C)c1ccccc1 T-BUTYLBEYTZKOQUC -57.8 InChI=1/C198-06-6 7088FC(F)(F)c1ccccc1 BENZOTRIFGETTZEON -29.1 InChI=1/C798-08-8 7090O=S(=O)(Cl)c1ccccc1 BENZENESUCSKNSYBA 14.5 InChI=1/C698-09-9 7091

O=S(=O)(N)c1ccccc1 BENZENES KHBQMWCZ 151 InChI=1/C698-10-2 7092O=S(O)(=O)c1ccccc1 BENZENESUSRSXLGNV 65 InChI=1/C698-11-3 7093FC(F)(F)c1cc(Cl)ccc1 Benzene, 1-YTCGOUNV -56 InChI=1/C798-15-7 7096FC(F)(F)c1cc(N)ccc1 3-TRIFLUOVIUDTWAT 5.5 InChI=1/C798-16-8 7097FC(F)(F)c1cc(O)ccc1 M-TRIFLU UGEJOEBB -1.8 InChI=1/C798-17-9 7098Cc1cc(C)cc(c1)C(C)(C)C Benzene, 1-FZSPYHREE -18 InChI=1/C198-19-1 7100Cc1cc(ccc1O)C(C)(C)C 4-(T-BUTYLSNKLPZOJL 27.5 InChI=1/C198-27-1 7101Oc1ccc(cc1O)C(C)(C)C 1,2-BenzeneXESZUVZB 54.3 InChI=1/C198-29-3 7103O=[N+]([O-])c1cc(ccc1)C(F)(FM-TRIFLU WHNAMGUA -2.4 InChI=1/C798-46-4 7108Cc1ccc(cc1)C(C)(C)C P-(T-BUTY QCWXDVFB -52 InChI=1/C198-51-1 7112

Aldrich (1998) CC(C)(C)C1CCC(O)CC1 CyclohexanoCCOQPGVQ 66 InChI=1/C198-52-2 7113Aldrich (2000) O=C1CCC(CC1)C(C)(C)C CyclohexanYKFKEYKJG 48.5 InChI=1/C198-53-3 7114CRC (2007) FC(F)(F)c1ccc(Cl)cc1 4-(TRIFLU QULYNCCP -33 InChI=1/C798-56-6 7116

O=S(Cl)(=O)c1ccc(Br)cc1 BenzenesulKMMHZIBW 76 InChI=1/C698-58-8 7118Cc1ccc(cc1)S(=O)(Cl)=O P-TOLUENEYYROPELS 71 InChI=1/C798-59-9 7119O=S(Cl)(=O)c1ccc(Cl)cc1 BenzenesulfZLYBFBAH 51 InChI=1/C698-60-2 7120Ic1ccc(cc1)S(=O)(Cl)=O BenzenesulfPOXFXTST 85 InChI=1/C698-61-3 7121OS(=O)(=O)c1ccc(Cl)cc1 BenzenesulfRJWBTWIB 67 InChI=1/C698-66-8 7122CC(C)(C)c1ccc(cc1)C(=O)O BENZOIC ACKDVYCTOW 164.5 InChI=1/C198-73-7 7125CC(C)c1ccccc1 CUMENE RWGFKTVR -96 InChI=1/C998-82-8 7128C=C(C)c1ccccc1 ALPHA-MEXYLMUPLGE -23.2 InChI=1/C998-83-9 7129CC(N)c1ccccc1 BenzenemetRQEUFEKY 32 InChI=1/C8618-36-0 7130CC(O)c1ccccc1 1-PHENYL WAPNOHKV 10 InChI=1/C81517-69-7 7131CC(O)c1ccccc1 ALPHA-METWAPNOHKV 20 InChI=1/C898-85-1 7131CC(=O)c1ccccc1 ACETOPHEKWOLFJPF 20 InChI=1/C898-86-2 7132ClC(=O)c1ccccc1 BENZOYL CPASDCCFIS -1 InChI=1/C798-88-4 7134O=C(O)C1CCCCC1 CYCLOHEXANZNMSOFK 31.5 InChI=1/C798-89-5 7135O=C(S)c1ccccc1 BenzenecarUIJGNTRU 24 InChI=1/C798-91-9 7136[O-][N+](=O)c1ccccc1 NITROBENLQNUZADU 5.7 InChI=1/C698-95-3 7138Cc1cccc(c1)C(O)=O M-TOLUIC GPSDUZXP 108.7 InChI=1/C899-04-7 7140OC(=O)c1cc(N)ccc1 3-AMINOBEXFDUHJPV 173 InChI=1/C799-05-8 7141OC(=O)c1cc(O)ccc1 M-HYDROXYIJFXRHURB 202 InChI=1/C799-06-9 7142CN(C)c1cccc(O)c1 PHENOL, 3MESJRHHD 86 InChI=1/C899-07-0 7143

Merck Index O=[N+]([O-])c1cccc(N)c1 3-NITROANXJCVRTZC 114 InChI=1/C699-09-2 7145Cc1cc(C)cc(c1)[N+](=O)[O-] Benzene, 1,BYFNZOKB 75 InChI=1/C899-12-7 7148Oc1cc(cc(O)c1O)C(=O)OC METHYL GAFBSFWRHW 261.5 InChI=1/C899-24-1 7150Clc1cc(cc(Cl)c1N)[N+]([O-])= 2,6-DICHL BIXZHMJU 191 InChI=1/C699-30-9 7152O=C1C=C(OC(=C1)C(O)=O)C( 4-OXO-4H-PBAYDYUZ 262 InChI=1/C799-32-1 7153O=[N+]([O-])c1cc(cc(c1)[N+](Benzoyl chlNNOHXABA 74 InChI=1/C799-33-2 7154O=[N+]([O-])c1cc(cc(c1)[N+] 3,5-DINIT VYWYYJYR 205 InChI=1/C799-34-3 7155Cc1ccc(cc1C)[N+](=O)[O-] 1,2-DIMETHFZKOYWD 30.5 InChI=1/C899-51-4 7162Cc1cc(ccc1N)[N+]([O-])=O 4-NITRO-2 XTTIQGSLJ 133.5 InChI=1/C799-52-5 7163Cc1cc(ccc1O)[N+]([O-])=O 2-METHYL-KDQPMQNH 96 InChI=1/C799-53-6 7164

CRC Handbook Cc1ccc(cc1N)[N+]([O-])=O 5-NITRO-2 DSBIJCMXA 105.5 InChI=1/C799-55-8 7166Nc1cc(ccc1OC)[N+]([O-])=O 2-METHOXYNIPDVSLA 118 InChI=1/C799-59-2 7167

OC(=O)c1ccc(cc1Cl)[N+]([O-] BENZOIC AQAYNSPOK 140 InChI=1/C799-60-5 7168O=[N+]([O-])c1cc(C=O)ccc1 M-NITROBZETIVVHR 58.5 InChI=1/C799-61-6 7169CC(C)c1cccc(c1)C(C)C 1,3-DIISO UNEATYXS -63.1 InChI=1/C199-62-7 7170O=C(Cl)c1cccc(c1)C(Cl)=O 1,3-BenzenFDQSRULY 43.5 InChI=1/C899-63-8 7171O=[N+]([O-])c1cccc(c1)[N+]([1,3-DINIT WDCYWAQP 90 InChI=1/C699-65-0 7172Oc1ccc(cc1)C(C)CC P-(SEC-BU ZUTYZAFDF 61.5 InChI=1/C199-71-8 7173O=C(CBr)c1ccc(Br)cc1 Ethanone, FKJSFKCZZ 111 InChI=1/C899-73-0 7174COC(=O)c1ccc(C)cc1 BENZOIC AQSSJZLPUH 33.2 InChI=1/C999-75-2 7175Oc1ccc(cc1)C(=O)OC 4-HYDROXYLXCFILQKK 131 InChI=1/C899-76-3 7176O=[N+]([O-])c1ccc(cc1)C(=O ETHYL-P-NPHWSCBWN 57 InChI=1/C999-77-4 7177CC1CCC(CC1)C(C)C CyclohexaneCFJYNSNXF -89.9 InChI=1/C16069-98-3 7179CC1CCC(CC1)C(C)C P-MENTHACFJYNSNXF -87.6 InChI=1/C199-82-1 7179CC1CCC(CC1)C(C)C CyclohexaneCFJYNSNXF -86.3 InChI=1/C11678-82-6 7179CC1=CCC(=CC1)C(C)C GAMMA-TEYKFLAYDH -10 InChI=1/C199-85-4 7181Cc1ccc(cc1)C(C)C P-CYMENEHFPZCAJZ -68.9 InChI=1/C199-87-6 7183Cc1ccc(cc1)C(C)C P-I-PROPY HFPZCAJZ -68 InChI=1/C125155-15-1 7183CC(C)c1ccc(O)cc1 P-ISOPROPYQUQWHNM 62.3 InChI=1/C999-89-8 7185O=C(C)c1ccc(Br)cc1 P-BROMOAWYECURVX 50.5 InChI=1/C899-90-1 7186O=C(C)c1ccc(O)cc1 P-HYDROXTXFPEBPIA 109.5 InChI=1/C899-93-4 7189Cc1ccc(cc1)C(O)=O P-TOLUIC ALPNBBFKO 179.6 InChI=1/C899-94-5 7190CN(C)c1ccc(C=O)cc1 P-FORMYL-BGNGWHSB 74.5 InChI=1/C9100-10-7 7199O=[N+]([O-])c1ccc(CCl)cc1 Benzene, 1-KGCNHWXD 71 InChI=1/C7100-14-1 7202CNc1ccc(cc1)[N+]([O-])=O P-NITRO-NXIFJZJPM 152 InChI=1/C7100-15-2 7203CC(C)c1ccc(cc1)C(C)C 1,4-DIISO SPPWGCYE -17 InChI=1/C1100-18-5 7205O=C(Cl)c1ccc(cc1)C(Cl)=O 1,4-BenzenLXEJRKJRK 83.5 InChI=1/C8100-20-9 7207CN(C)c1ccc(cc1)[N+]([O-])=OP-NITRO-NQJAIOCKFI 164 InChI=1/C8100-23-2 7210O=[N+]([O-])c1ccc(cc1)[N+]([P-DINITROFYFDQJRX 174 InChI=1/C6100-25-4 7211OC(=O)c1ccc(cn1)C(=O)O PYRIDINE-2LVPMIMZX 254 InChI=1/C7100-26-5 7212O=[N+]([O-])c1ccc(CCO)cc1 2-(P-NITR IKMXRUOZ 63 InChI=1/C8100-27-6 7213CCOc1ccc(cc1)[N+]([O-])=O P-NITROPHNWPKEYHU 60 InChI=1/C8100-29-8 7214C=CC1CC=CCC1 4-VINYLCY BBDKZWKE -108.9 InChI=1/C8100-40-3 7218CCc1ccccc1 ETHYLBEN YNQLUTRB -94.9 InChI=1/C8100-41-4 7219C=Cc1ccccc1 STYRENE PPBRXRYQ -31 InChI=1/C8100-42-5 7220

Aldrich Catalo NCc1ccccc1 BENZYLAMWGQKYBSK 10 InChI=1/C7100-46-9 7223N#Cc1ccccc1 BENZONITRJFDZBHWF -12.7 InChI=1/C7100-47-0 7224N#Cc1ccncc1 4-CYANOPYGPHQHTOM 79 InChI=1/C6100-48-1 7225OCC1CCCCC1 Cyclohexa VSSAZBXX -43 InChI=1/C7100-49-2 7226OCc1cccnc1 3-PYRIDIN MVQVNTPH -6.5 InChI=1/C6100-55-0 7229CNc1ccccc1 N-METHYLAAFBPFSWM -57 InChI=1/C7100-61-8 7234NNc1ccccc1 PHENYL HYHKOOXMFO 19.6 InChI=1/C6100-63-0 7235O\N=C1/CCCCC1 CYCLOHEXVEZUQRBD 90 InChI=1/C6100-64-1 7236ONc1ccccc1 PHENYLHYCKRZKMFT 83.5 InChI=1/C6100-65-2 7237COc1ccccc1 ANISOLE RDOXTESZ -37.5 InChI=1/C7100-66-3 7238N#Cc1ccccn1 2-CYANOPYFFNVQNRY 29 InChI=1/C6100-70-9 7241CCc1ccccn1 2-ETHYLPYNRGGMCIB -63.1 InChI=1/C7100-71-0 7242

CCN1CCOCC1 4-ETHYLM HVCNXQOW -64 InChI=1/C6100-74-3 7244C1CN2CCC1CC2 QUINUCLIDSBYHFKPV 158 InChI=1/C7100-76-5 7246Cc1cccc(C=C)c1 M-METHYLJZHGRUMI -86.3 InChI=1/C9100-80-1 7248OC(C)(C)Cc1ccccc1 BenzeneethaRIWRBSMF 24 InChI=1/C1100-86-7 7250OS(=O)(=O)NC1CCCCC1 CYCLAMATHCAJEUSO 169.5 InChI=1/C6100-88-9 7252CC2CC(OC(=O)C(O)c1ccccc1)EucatropinQSAVEGSLJ 113 InChI=1/C1100-91-4 7253N(\C(Nc1ccccc1)=N/c2ccccc2Guanidine, FUPAJKKA 146.5 InChI=1/C1101-01-9 7258O(P(Oc1ccccc1)Oc2ccccc2)c3PhosphorousHVLLSGMX 25 InChI=1/C1101-02-0 7259Clc2nc(Nc1ccccc1Cl)nc(Cl)n2ANILAZINEIMHBYKMA 160 InChI=1/C9101-05-3 7260

CRC Clc1cc(OC(C)C(=O)O)ccc1 Cloprop YNTJKQDW 113 InChI=1/C9101-10-0 7261Nc2ccc(Cc1ccc(N)c(Cl)c1)cc2C4,4'-METH IBOFVQJT 110 InChI=1/C1101-14-4 7262COc2cccc(Nc1ccccc1)c2 3-METHOXMKASXAGB 73 InChI=1/C1101-16-6 7263Clc2cc(Nc1ccccc1)ccc2 4-CHLORO OHHIBZKY 74 InChI=1/C11205-71-6 7264Clc2ccc(NC(=O)Nc1ccc(Cl)cc1Triclocarb ICUTUKXC 255.6 InChI=1/C1101-20-2 7266

CHEM INSPECT O=NN1CN2CN(C1)CN(C2)N= Dinitrosop MWRWFPQ 204.5 InChI=1/C5101-25-7 7268Clc1cc(NC(=O)OCC#CCCl)ccc BARBAN MCOQHIWZ 75 InChI=1/C1101-27-9 7270

NIST WebBook CCOC(CC(CCC)OCC)OCC Hexanal, 3-SYPLTTUVU -100 InChI=1/C1101-33-7 7273NIST WebBook C=CCOc1nc(nc(OCC=C)n1)OC1,3,5-Triaz BJELTSYB 27 InChI=1/C1101-37-1 7274

ClC1=CC(=N\Cl)\C=C(Cl)C1=OGibbs ReagYHUMTHWQ 66 InChI=1/C6101-38-2 7275O=C(Nc1ccccc1)N(C)C FENURON XXOYNJXV 133.5 InChI=1/C9101-42-8 7279

CRC (2007) Nc2ccc(Nc1ccccc1)cc2 4-AMINODATGUVEKS 66 InChI=1/C1101-54-2 7283Brc2ccc(Oc1ccccc1)cc2 4-BROMOPHJDUYPUMQ 18.72 InChI=1/C1101-55-3 7284

Aldrich (2000) [O-][N+](=O)c1ccc(cc1)Sc2cc Aniline, p- ZBPKGHOG 144 InChI=1/C1101-59-7 7285O=C=N\c1ccc(cc1)Cc2ccc(\N DIPHENYL UPMLOUAZ 38 InChI=1/C1101-68-8 7289O=C(N)Oc1ccc(cc1)Cc2ccccc2DiphenaneZBJBRUSG 148.5 InChI=1/C1101-71-3 7291CC(C)Nc1ccc(cc1)Nc2ccccc2 4-(ISOPRO OUBMGJOQ 74 InChI=1/C1101-72-4 7292

ChemFinder (2CC(C)Oc1ccc(cc1)Nc2ccccc2 4-IsopropoCVVFFUKU 79 InChI=1/C1101-73-5 7293ALDRICH (2000c1ccccc1Nc2ccc(cc2)/N=N/c3BenzenaminVXLFYNFO 90 InChI=1/C1101-75-7 7294

Clc2ccc(Cc1ccc(Cl)cc1)cc2 Benzene, 1LQGSWLJZ 55.5 InChI=1/C1101-76-8 7295CRC (2007) Nc2ccc(Cc1ccc(N)cc1)cc2 DI-(P-AMI YBRVSVVV 92.5 InChI=1/C1101-77-9 7296

c1ccccc1Cc2ccccc2 BENZENE, CZZYITDEL 25.2 InChI=1/C1101-81-5 7299c1ccccc1Cc2ccccn2 2-BENZYLPPCFUWBOS 12.5 InChI=1/C1101-82-6 7300C1CCCCC1NC2CCCCC2 DICYCLOHEXBPCUCUW -0.1 InChI=1/C1101-83-7 7301c1ccccc1Oc2ccccc2 DIPHENYL USIUVYZYU 26.8 InChI=1/C1101-84-8 7302c1ccc(cc1OCC2CO2)OCC3CO Oxirane, 2,WPYCRFCQ 42.5 InChI=1/C1101-90-6 7305

Aldrich (1998) Clc1ccc(NC(=O)CC(C)=O)cc1 p-ChloroacJMRJWEJJ 132.5 InChI=1/C1101-92-8 7306CCOc1ccc(cc1)NC(\C)=N\c2ccPhenacaineQXDAEKSD 191 InChI=1/C1620-99-5 7307CC(CC)Nc1ccc(NC(C)CC)cc1 N,N'-DI-S FSWDLYNG 18 InChI=1/C1101-96-2 7308O=C(OCC)Nc1ccccc1 N-PHENYL LBKPGNUO 53 InChI=1/C9101-99-5 7310O=C(Nc1ccccc1)CC(C)=O ACETOACETDYRDKSSF 86 InChI=1/C1102-01-2 7311N=C(Nc1ccccc1)Nc2ccccc2 N,N'-DIPH OWRCNXZU 150 InChI=1/C1102-06-7 7313O=C(Nc1ccccc1)Nc2ccccc2 DIPHENYL GWEHVDNN 189 InChI=1/C1603-54-3 7314O=C(Nc1ccccc1)Nc2ccccc2 DIPHENYLUGWEHVDNN 239 InChI=1/C1102-07-8 7314O=C(Oc1ccccc1)Oc2ccccc2 CARBONIC ROORDVPL 83 InChI=1/C1102-09-0 7315O=C(Nc1ccccc1)CCC(=O)O 4-OXO-4-( KTFGFGGL 148.5 InChI=1/C1102-14-7 7316

O=C(OCCc1ccccc1)Cc2ccccc2BenzeneacetZOZIRNMD 26.5 InChI=1/C1102-20-5 7319CCc1cc(cc(CC)c1)CC 1,3,5-TRI WJYMPXJV -66.5 InChI=1/C1102-25-0 7320Clc1ccc(/N=C=O)cc1Cl 1,2-DICHL MFUVCHZW 43 InChI=1/C7102-36-3 7325Clc1ccc(CCl)cc1Cl Benzene, 1,YZIFVWOC 37.5 InChI=1/C7102-47-6 7327C1=CC=CC1 CYCLOPENZSWFCLXCO -85 InChI=1/C5542-92-7 7330CCCN(CCC)CCC TRIPROPYLYFTHZRPM -93.5 InChI=1/C9102-69-2 7334C=CCN(CC=C)CC=C TRIALLYLA VPYJNCGU 94 InChI=1/C9102-70-5 7335c1cccc2sc(nc12)SN3CCOCC3 Morpholine,MHKLKWCY 85 InChI=1/C1102-77-2 7337CCCCN(CCCC)CCO 2-Dibutyla IWSZDQRG -75 InChI=1/C1102-81-8 7339CCCCN(CCCC)CCCC TRI N-BUT IMFACGCP -70 InChI=1/C1102-82-9 7340

ChemFinder (2CCCCOP(OCCCC)OCCCC PhosphorousXTTGYFRE -80 InChI=1/C1102-85-2 7341CRC 81st OB(O)O BORIC ACI KGBXLFKZB 170.9 InChI=1/BH10043-35-3 7346

CC(C)(O)CCc1ccccc1 BenzeneproYXVSKJDFN 24.5 InChI=1/C1103-05-9 7350O=C(C)OCC(CCCC)CC 2-ETHYLHEWOYWLLHH -80 InChI=1/C1103-09-3 7353O=C(C=C)OCC(CCCC)CC 2-ETHYLHEGOXQRTZX -90 InChI=1/C1103-11-7 7354

Lide, DR ET AL Oc2ccc(NCc1ccccc1)cc2 Phenol, 4- SRYYOKKL 88 InChI=1/C1103-14-0 7355Oc2ccc(OCc1ccccc1)cc2 P-(BENZYL VYQNWZOU 122 InChI=1/C1103-16-2 7356Clc2ccc(SCc1ccc(Cl)cc1)cc2 CHLORBENZHLKXBJTJ 75 InChI=1/C1103-17-3 7357O=C(CCCCC(=O)OCC(CC)CCCCDI-2-ETHY SAOKZLXY -67.8 InChI=1/C2103-23-1 7358O=C(CCCCCCCC(=O)OCC(CC)CNonanedioicZDWGXBPV -78 InChI=1/C2103-24-2 7359C(Cc1ccccc1)c2ccccc2 BIBENZYL QWUWMCYK 52.5 InChI=1/C1103-29-7 7364S(SN1CCOCC1)N2CCOCC2 Morpholine,HLBZWYXL 124.5 InChI=1/C8103-34-4 7365O=C(OCc1ccccc1)CCC(=O)OCcDIBENZYL ODBOBZHT 49.5 InChI=1/C1103-43-5 7370C(NCc1ccccc1)c2ccccc2 DIBENZYL BWLUMTFW -26 InChI=1/C1103-49-1 7373BrCCc1ccccc1 (2-BROMOEWMPPDTMA -65.7 InChI=1/C8103-63-9 7383CCCc1ccccc1 N-PROPYL ODLMAHJV -99.5 InChI=1/C9103-65-1 7385CCNc1ccccc1 N-ETHYLANOJGMBLNI -63.5 InChI=1/C8103-69-5 7387O=CNc1ccccc1 FORMANILDYDNPESB 46 InChI=1/C7103-70-8 7388CCOc1ccccc1 ETHOXYBEDLRJIFUOB -29.5 InChI=1/C8103-73-1 7391OCCc1ccccn1 2-PYRIDIN BXGYBSJAZ -7.8 InChI=1/C7103-74-2 7392O=C(N)Cc1ccccc1 PHENYLACLSBDFXRDZ 157 InChI=1/C8103-81-1 7397Brc1ccc(NC(C)=O)cc1 4-BROMOAMSLICLMC 168 InChI=1/C8103-88-8 7399Oc1ccc(cc1)NC(=O)CCCCCCC N-STEARO YASWBJXT 133.8 InChI=1/C2103-99-1 7405COc1ccc(CC(=O)O)cc1 P-METHOXYNRPFNQUD 87 InChI=1/C9104-01-8 7406O=C(C)Nc1ccc(cc1)[N+]([O-])4-NITROACNQRLPDFE 216 InChI=1/C8104-04-1 7407Clc1ccc(/N=C=O)cc1 1-CHLORO-ADAKRBAJF 30 InChI=1/C7104-12-1 7408COc1ccc(COC(C)=O)cc1 BenzenemetHFNGYHHR 84 InChI=1/C1104-21-2 7410Clc1ccc(OCC(O)CO)cc1 ChlorpheneMXOAEAUP 78 InChI=1/C9104-29-0 7411Nc1ccc(CCCCCCCCCCCC)cc1 P-DODECYLKLPPPIIIE 40.5 InChI=1/C1104-42-7 7415CCCCc1ccccc1 N-BUTYLBEOCKPCBLV -87.9 InChI=1/C1104-51-8 7419O=CCCc1ccccc1 BenzeneprYGCZTXZT 47 InChI=1/C9104-53-0 7421C(COc1ccccc1)Oc2ccccc2 1,2-DIPHE XCSGHNKD 98 InChI=1/C1104-66-5 7427CCCCCCCCCCc1ccccc1 1-PHENYL UZILCZKG -14.4 InChI=1/C1104-72-3 7430CCC(CCCC)CN 2-ETHYLHELTHNHFOG -76 InChI=1/C8104-75-6 7433CCC(CCCC)CO 2-ETHYL-1 YIWUKEYIR -70 InChI=1/C8104-76-7 7434

Cc1ccc(CBr)cc1 Benzene, 1WZRKSPFY 35 InChI=1/C8104-81-4 7435ClCc1ccc(Cl)cc1 BENZENE, JQZAEUFP 31 InChI=1/C7104-83-6 7437CCc1ccc(CC)cc1 P-DIETHYL DSNHSQKR -42.83 InChI=1/C1105-05-5 7448

HAWLEY (1977OCC1CCC(CO)CC1 1,4-Cycloh YIMQCDZD 51 InChI=1/C8105-08-8 7449C#CC(O)CCC 1-HEXYN-3LTFTWJYR -80 InChI=1/C6105-31-7 7460CCC(=O)OCC ETHYL PROFKRCODPI -73.9 InChI=1/C5105-37-3 7463CCC(=O)OC=C VINYL PROUIWXSTHG -80 InChI=1/C5105-38-4 7464ClCC(=O)OCC ETHYL CHLVEUUMBGH -21 InChI=1/C4105-39-5 7465CC(=O)OC(C)CC S-BUTYLACDCKVNWZU -98.9 InChI=1/C6105-46-4 7472CCCC(=O)OCC ETHYLBUTYOBNCKNCV -98 InChI=1/C6105-54-4 7475O=C(OCC)OCC DIETHYL C OIFBSDVP -43 InChI=1/C5105-58-8 7478OCCN(C)CCO N-METHYLCRVGTESF -21 InChI=1/C5105-59-9 7479O=C1CCCCCN1 CAPROLACJBKVHLHD 69.3 InChI=1/C6105-60-2 7480CC(C)OC(=O)OOC(=O)OC(C)CDIISOPROPBWJUFXUU 10 InChI=1/C8105-64-6 7481CCCC(=O)OCCC N-PROPYL HUAZGNHG -95.2 InChI=1/C7105-66-8 7482O=C(CCCCCCCCCCC)OOC(=O)Peroxide, bYIVJZNGA 49 InChI=1/C2105-74-8 7485O=C(CCCCC(=O)OCCCC)OCCCHexanedioicXTJFFFGA -32.4 InChI=1/C1105-99-7 7496O=C(CCCCC(=O)OCCC)OCCC HexanedioicNKOUWLLF -15.7 InChI=1/C1106-19-4 7502

ChemFinder (2CCCCC(CNCC(CC)CCCC)CC Di-(2-ethy SAIKULLUB -60 InChI=1/C1106-20-7 7503CC(C)CCOC(=O)CCC ISOPENTYLPQLMXFQT -73.2 InChI=1/C9106-27-4 7507O=C(CCCCCC)OCC ETHYL HEPTVQGDYNR -66.1 InChI=1/C9106-30-9 7509CCCC(=O)OC(=O)CCC BUTYRIC AYHASWHZG -75 InChI=1/C8106-31-0 7510O=C(CCCCCCC)OCC ETHYL OC YYZUSROR -43.1 InChI=1/C1106-32-1 7511O=C(CCCCCCCCCCC)OCC ETHYL LAUMMXKVMNB -10 InChI=1/C1106-33-2 7512

CRC HandbookCCC(=O)CCCC 3-HEPTAN NGAZZOYF -39 InChI=1/C7106-35-4 7514CCC(=O)OCCC N-PROPYL MCSINKKT -75.9 InChI=1/C6106-36-5 7515Clc1ccc(Br)cc1 P-BROMOCNHDODQW 68 InChI=1/C6106-39-8 7518Nc1ccc(Br)cc1 P-BROMOAWDFQBORI 66.4 InChI=1/C6106-40-1 7519

CRC Handbook Cc1ccc(C)cc1 P-XYLENE URLKBWYH 13.25 InChI=1/C8106-42-3 7521Sc1ccc(Cl)cc1 4-CHLORO VZXOZSQD 61 InChI=1/C6106-54-7 7527CC1CNC(C)CN1 PIPERAZINENSMWYRLQ 114 InChI=1/C66284-84-0 7528CC1CNC(C)CN1 2,5-DIMETNSMWYRLQ 116 InChI=1/C6106-55-8 7528CC1CNC(C)CN1 trans-2,5- NSMWYRLQ 118.5 InChI=1/C62815-34-1 7528

CRC HandbookC=CC(=O)OCC(C)C ISOBUTYL CFVWNXQP -61 InChI=1/C7106-63-8 7531CCCCCC(=O)OC METHYL H NUKZAGXM -71 InChI=1/C7106-70-7 7536O=C(CCCCCC)OC METHYL H XNCNNDVC -56 InChI=1/C8106-73-0 7538O=C(CCCCCCCCC(=O)OC)OC DecanedioicALOUNLDA 38 InChI=1/C1106-79-6 7541CCC1CO1 1,2-BUTYL RBACIKXC -150 InChI=1/C4106-88-7 7546BrCCBr 1,2-DIBR PAAZPARN 9.9 InChI=1/C2106-93-4 7551BrCCC 1-BROMOPCYNYIHKI -110 InChI=1/C3106-94-5 7552BrCC=C 3-BROMO-BHELZAPQI -119 InChI=1/C3106-95-6 7553CCCC N-BUTANEIJDNQMDR -138.2 InChI=1/C4106-97-8 7555C=CCC 1-BUTENE VXNZUUAI -185.3 InChI=1/C4106-98-9 7556C=CCC BUTENE (MiVXNZUUAI -145 InChI=1/C425167-67-3 7556C=CC=C 1,3-BUTADKAKZBPTYR -108.9 InChI=1/C4106-99-0 7557

C#CCC 1-BUTYNE KDKYADYSI -125.7 InChI=1/C4107-00-6 7558CRC Handbbok C=CC=O ACROLEIN HGINCPLS -87.7 InChI=1/C3107-02-8 7559CRC HandbookCCCS 1-PROPANESUVIGLJN -113.3 InChI=1/C3107-03-9 7560Merck Index CCCN PROPYLAMWGYKZJWC -83 InChI=1/C3107-10-8 7564

CCC#N PROPIONITFVSKHRXB -92.8 InChI=1/C 107-12-0 7566C=CC#N ACRYLONITNLHHRLWO -83.5 InChI=1/C 107-13-1 7567O=CC=O GLYOXAL LEQAOMBK 15 InChI=1/C2107-22-2 7572C=COC METHYLVI XJRBAMWJ -122 InChI=1/C 107-25-5 7573

CRC HandbookO=COC METHYLFOTZIHFWKZF -99 InChI=1/C 107-31-3 7577C=C(C)CC(C)(C)C 2,4,4-TRI FXNDIJDIP -93.5 InChI=1/C8107-39-1 7580C\C(C)=C/C(C)(C)C 2,4,4-TRI LAAVYEUJ -106.3 InChI=1/C8107-40-4 7581

Merck Index (2CC(C)OP(C)(F)=O SARIN DYAHQFWO -57 InChI=1/C4107-44-8 7583CC(C)(C)SC(C)(C)C Propane, 2,LNMBCRKR -9 InChI=1/C8107-47-1 7584C[Si]1(C)O[Si](C)(C)O[Si](C)(CTETRADEC GSANOGQC -26 InChI=1/C1107-50-6 7586C[Si](C)(C)O[Si](C)(C)O[Si](C) TETRADEC ADANNTOY -59 InChI=1/C1107-52-8 7587

ALDRICH (2000CC(C)(C)NC(=O)C=C tert-Butyl XFHJDMUE 128.5 InChI=1/C7107-58-4 7589ChemFinder (2O=S1(=O)CCOCC1 1,4-OxathiaWWRUZECK 132 InChI=1/C4107-61-9 7590Verschueren,K CCCCOP(O)(=O)OCCCC DI-N-BUTYJYFHYPJRH -13 InChI=1/C8107-66-4 7593

CNCCS(=O)(=O)O 2-(EthylamSUZRRICL 241.5 InChI=1/C3107-68-6 7594NC(=O)OCC(Cl)(Cl)Cl TRICHLOR QPLJYAKLS 64 InChI=1/C3107-69-7 7595BrC(C)CCC 2-BROMOPLGAJYTCRJ -95.5 InChI=1/C5107-81-3 7602CC(C)CCBr 1-BROMO-YXZFFTJA -112 InChI=1/C5107-82-4 7603CC(C)CCC 2-METHYL AFABGHUZ -153.7 InChI=1/C6107-83-5 7604CC(C)CCCl Butane, 1- CZHLPWNZC -104.4 InChI=1/C5107-84-6 7605CC(=O)CCC 2-PENTAN XNLICIUV -76.9 InChI=1/C5107-87-9 7607N#CCC(N)=O Acetamide,DGJMPUGM 121.5 InChI=1/C3107-91-5 7610ClCCC(=O)O 3-CHLOROPQEYMMOKE 41 InChI=1/C3107-94-8 7611CC(O)COC 1-METHOXARXJGSRG -95 InChI=1/C4107-98-2 7612

CRC Handbook[O-][N+](=O)CCC 1-NITROP JSZOAYXJR -108 InChI=1/C3108-03-2 7615CRC (2007) CC(=O)OC=C VINYL ACE XTXRWKRV -93.2 InChI=1/C4108-05-4 7616

CC(C)CC(C)C 2,4-DIMETBZHMBWZP -119.9 InChI=1/C7108-08-7 7619CC(C)CC(C)=O 4-METHYL NTIZESTW -84 InChI=1/C6108-10-1 7621CC(C)CC(C)O 4-METHYL-WVYWICLM -90 InChI=1/C6108-11-2 7622CC(C)NC(C)C DIISOPROPUAOMVDZJ -61 InChI=1/C6108-18-9 7624

ALDRICH (2000CC(C)NC(C)C DiisopropyUAOMVDZJ 217 InChI=1/C6819-79-4 7624CC(C)OC(C)C DI-ISOPROZAFNJMIOT -86.8 InChI=1/C6108-20-3 7626CC(=O)OC(C)C ISOPROPYLJMMWKPVZ -73.4 InChI=1/C5108-21-4 7627C=C(C)OC(C)=O 1-PROPEN-HETCEOQF -92.9 InChI=1/C5108-22-5 7628CC(=O)OC(C)=O ACETIC ANWFDIJRYM -73 InChI=1/C4108-24-7 7630

ChemFinder (2O=C1CC(C)=NN1 3-Methyl-5NHLAPJMC 221 InChI=1/C4108-26-9 7632DAUBERT,TE &O=C1CCC(C)O1 gamma-ValGAEKPEKO 242.15 InChI=1/C5108-29-2 7633

O=C1CCC(=O)O1 SUCCINIC RINCXYDB 119 InChI=1/C4108-30-5 7634O=C1C=CC(=O)O1 MALEIC ANFPYJFEHA 52.8 InChI=1/C4108-31-6 7635O=C1OCC(C)O1 PROPYLENRUOJZAUF -48.8 InChI=1/C4108-32-7 7636Cc1cccc(C)c1 M-XYLENE IVSZLXZYQ -47.8 InChI=1/C8108-38-3 7641

Cc1cncc(C)n1 PYRAZINE, HJFZAYHY 47.5 InChI=1/C6108-50-9 7650Cc1ccnc(N)n1 2-AMINO-4GHCFWKFR 160.3 InChI=1/C5108-52-1 7651O=C1CCCC(=O)O1 GLUTARIC VANNPIST 56.3 InChI=1/C5108-55-4 7652C=Cc1cccc(C=C)c1 M-DIETHE PRJNEUBE -52.3 InChI=1/C1108-57-6 7653CC(CCl)OC(C)CCl DCIP (2,2 QCFYJCYNJ -97 InChI=1/C6108-60-1 7656CC(C)CC(=O)OCC ETHYL ISO PPXUHEOR -99.3 InChI=1/C7108-64-5 7657

Merck Index Cc1cc(C)cc(C)c1 1,3,5-TRI AUHZEENZ -44.7 InChI=1/C9108-67-8 7659Clc1cc(Cl)cc(Cl)c1 1,3,5-TRI XKEFYDZQ 63.5 InChI=1/C6108-70-3 7662

ALDRICH (2000CN1CN(C)CN(C)C1 1,3,5-Triaz DPMZXMBO -27 InChI=1/C6108-74-7 7664CRC HandbookClc1nc(Cl)nc(Cl)n1 CYANURIC MGNCLNQX 154 InChI=1/C3108-77-0 7666

Oc1nc(O)nc(O)n1 CYANURIC ZFSLODLO 360 InChI=1/C3108-80-5 7668CRC HandbookCC(C)CC(=O)CC(C)C 2,6-DIMETPTTPXKJBF -41.5 InChI=1/C9108-83-8 7670

CC(C)CC(C)OC(=O)C 4-METHYL-CPIVYSAVI -64 InChI=1/C8108-84-9 7671BrC1CCCCC1 BROMOCYCAQNQQHJN -56.5 InChI=1/C6108-85-0 7672Brc1ccccc1 BROMOBENQARVLSVV -30.6 InChI=1/C6108-86-1 7673CC1CCCCC1 1-METHYL UAEPNZWR -126.6 InChI=1/C7108-87-2 7674

CRC Handbook Clc1ccccc1 CHLOROBEMVPPADPH -45.31 InChI=1/C6108-90-7 7676NC1CCCCC1 CYCLOHEXPAFZNILMF -17.7 InChI=1/C6108-91-8 7677

CRC (2007) OC1CCCCC1 CYCLOHEXHPXRVTGH 25.4 InChI=1/C6108-93-0 7678O=C1CCCCC1 CYCLOHEXJHIVVAPY -31 InChI=1/C6108-94-1 7679O=C1C=COC=C1 4H-PYRAN-CVQUWLDC 32.5 InChI=1/C5108-97-4 7680Sc1ccccc1 THIOPHENRMVRSNDY -14.9 InChI=1/C6108-98-5 7681Oc1cccnc1 3-HYDROXYGRFNBEZI 127.5 InChI=1/C5109-00-2 7683Cc1cnccn1 2-METHYLPCAWHJQAV -29 InChI=1/C5109-08-0 7688Clc1ccccn1 2-CHLOROPOKDGRDCX -46.5 InChI=1/C5109-09-1 7689Nc1ncccn1 2-AMINOPYLJXQPZWI 127.5 InChI=1/C4109-12-6 7690O=C(CCC)OCCCC N-BUTYLBUXUPYJHCZD -91.5 InChI=1/C8109-21-7 7694O=C(CCCCCCCC(=O)OCCCCCCDIHEXYL A MJOKHGMX -8 InChI=1/C2109-31-9 7696CCCCC(=O)O PENTANOICNQPDZGIK -34 InChI=1/C5109-52-4 7701CC(C)COC=C ISOBUTYL OZCMOJQQ -112 InChI=1/C6109-53-5 7702NCCCN(C)C 1,3-PropanIUNMPGNG -60 InChI=1/C5109-55-7 7703CC(C)NCCO Ethanol, 2-RILLZYSZS 128.5 InChI=1/C5109-56-8 7704CC(=O)OCCC N-PROPYL YKYONYBA -93 InChI=1/C5109-60-4 7706BrCCCBr 1,3-DIBR VEFLKXRA -34.2 InChI=1/C3109-64-8 7710BrCCCC 1-BROMOBMPPPKRYC -112.4 InChI=1/C4109-65-9 7711CCCCC N-PENTANOFBQJSOF -129.7 InChI=1/C5109-66-0 7712CCCC=C 1-PENTENEYWAKXRMU -165.2 InChI=1/C5109-67-1 7713CCCCCl 1-CHLORO VFWCMGCR -123.1 InChI=1/C4109-69-3 7714BrCCCCl 1-CHLORO MFESCIUQ -58.9 InChI=1/C3109-70-6 7715

Merck Index CCCCN N-BUTYLA HQABUPZF -50 InChI=1/C4109-73-9 7716CCCC#N BUTYRONITKVNRLNFW -111.9 InChI=1/C4109-74-0 7717N#CCCO ETHYLENE WSGYTJNN -46 InChI=1/C3109-78-4 7720

CRC HandbookCCCCS BUTANETHWQAQPCDU -115.7 InChI=1/C4109-79-5 7721C=NCC#N Acetonitri GFZMFCVD 129 InChI=1/C3109-82-0 7724NNCCO Ethanol, 2-GBHCABUW -70 InChI=1/C2109-84-2 7726

OCCOC 2-METHOXXNWFRZJH -85.1 InChI=1/C3109-86-4 7728Merck Index CCNCC DIETHYLAMHPNMFZUR -50 InChI=1/C4109-89-7 7730

C=COCC ETHYL VIN FJKIXWOM -115.8 InChI=1/C4109-92-2 7732C=COC=C DIVINYL E QYKIQEUN -101 InChI=1/C4109-93-3 7733O=COCC ETHYL FO WBJINCZR -79.6 InChI=1/C 109-94-4 7734c1cccn1 PYRROLE KAESVJOA -23.4 InChI=1/C4109-97-7 7736

CRC (2007) C1CCCO1 TETRAHYDWYURNTSH -108.44 InChI=1/C4109-99-9 7737CRC (2007) c1ccco1 FURAN YLQBMQCU -85.6 InChI=1/C4110-00-9 7738

c1cccs1 THIOPHENYTPLMLYBL -39.4 InChI=1/C4110-02-1 7739CC(O)(C)CCC(C)(C)O 2,5-HexanedZWNMRZQY 92 InChI=1/C8110-03-2 7740O=S(O)(=O)CCS(=O)(=O)O 1,2-EthanedAFAXGSQY 173 InChI=1/C2110-04-3 7741CC(C)(C)OOC(C)(C)C T-BUTYL-P LSXWFXON -40 InChI=1/C8110-05-4 7742

Lewis CC(C)CCC(C)=O 5-METHYL FFWSICBK -74 InChI=1/C7110-12-3 7743CC(=O)CCC(C)=O 2,5-HEXANOJVAMHKK -5.5 InChI=1/C6110-13-4 7744CN(C)CCN(C)C N,N,N',N' KWYHDKDO -55 InChI=1/C6110-18-9 7746CC(=O)OCC(C)C SEC-BUTYLGJRQTCIYD -98.8 InChI=1/C6110-19-0 7747CC(=O)OOC(C)=O Peroxide, dZQMIGQN 30 InChI=1/C4110-22-5 7749

Merck (2006) CC(C)OC(=O)CCCCCCCCCCCCISOPROPYLAXISYYRBX 3 InChI=1/C1110-27-0 7751O=C(OCCCCCCCC)CCCCC(=O)OCTYL DECNWSGBTCJ -50 InChI=1/C2110-29-2 7752O=C(CCCCCCCCC)OCC ETHYL DECRGXWDWUG -20 InChI=1/C1110-38-3 7757O=C(CCCCCCCCC(=O)OCC)OCDIETHYL S ONKUXPIB 5 InChI=1/C1110-40-7 7758O=C(CCCCCCCCC)OC METHYL D YRHYCMZP -18 InChI=1/C1110-42-9 7759CC(=O)CCCCC 2-HEPTAN CATSNJVOT -35 InChI=1/C7110-43-0 7760CC(C)CCOC=O ISOAMYL XKYICAQFS -93.5 InChI=1/C6110-45-2 7761BrCCCCBr 1,4-DIBR ULTHEAFY -16.5 InChI=1/C4110-52-1 7765BrCCCCC 1-BROMOPYZWKKMVJ -95 InChI=1/C5110-53-2 7766CCCCCC N-HEXANEVLKZOEOY -95.3 InChI=1/C6110-54-3 7767CCCCCN N-PENTYL DPBLXKKO -55 InChI=1/C5110-58-7 7769CCCCC#N VALERONITRFFFKMOA -96.2 InChI=1/C5110-59-8 7770

CRC Handbook CCCCC=O 1-PENTANAHGBOYTHU -91.5 InChI=1/C5110-62-3 7772OCC#CCO 2-BUTYNE-DLDJFQGPP 50 InChI=1/C4110-65-6 7775

CRC HandbookCCCCCS 1-PENTANEZRKMQKLG -75.7 InChI=1/C5110-66-7 7776CRC HandbookCCCCNC METHYLBUQCOGKXLO -75 InChI=1/C5110-68-9 7777

O=COCCC PROPYL F KFNNIILCV -92.9 InChI=1/C4110-74-7 7782C=COCCCl 2-CHLOROEDNJRKFKA -70 InChI=1/C4110-75-8 7783CCSSCC DIETHYL DICETBSQOF -101.5 InChI=1/C4110-81-6 7786C1CCCCC1 CYCLOHEXXDTMQSRO 6.6 InChI=1/C6110-82-7 7787C1C=CCCC1 CYCLOHEXHGCIXCUE -103.5 InChI=1/C6110-83-8 7788C1=CCCCO1 2H-PYRAN,BUDQDWGN -70 InChI=1/C5110-87-2 7789C1OCOCO1 1,3,5-TRIOBGJSXRVX 60.2 InChI=1/C3110-88-3 7790

CRC HandbookC1CCCCN1 PIPERIDINENQRYJNQN -7 InChI=1/C5110-89-4 7791CC(C)CNCC(C)C DIISOBUTYNJBCRXCA -73.5 InChI=1/C8110-96-3 7794CC(O)CNCC(C)O DIISOPRO LVTYICIA 44.5 InChI=1/C6110-97-4 7795O=C(O)COCC(=O)O Acetic acid,QEVGZEDE 148 InChI=1/C4110-99-6 7797CC(C)CCCC(C)CCCC(C)CCCCC(TetracosanPRAKJMSD -38 InChI=1/C3111-01-3 7798

O=C(CCCCCCCCCCCCCCC)OC BUTYL PALGLYJVQDYL 16.9 InChI=1/C2111-06-8 7799O=C(CCCCCCC)OC METHYL O JGHZJRVD -40 InChI=1/C9111-11-5 7800CC(=O)CCCCCC 2-OCTANOZPVFWPFB -16 InChI=1/C8111-13-7 7802CCCCCCC(=O)O HEPTANOICMNWFXJYA -7.5 InChI=1/C7111-14-8 7803OC(=O)CCSCCC(O)=O Propanoic aODJQKYXP 129 InChI=1/C6111-17-1 7805O=C(C)OCCOCCOCCOC(C)=O ETHYLENEBOVOUKWFJ -50 InChI=1/C1111-21-7 7807BrCCCCCBr Pentane, 1IBODDUNK -39.5 InChI=1/C5111-24-0 7809BrCCCCCC 1-BROMOHMNDIARAM -84.7 InChI=1/C6111-25-1 7810CCCCCCN N-HEXYLA BMVXCPBX -22.9 InChI=1/C6111-26-2 7811CCCCCCO 1-HEXANOZSIAUFGU -44.6 InChI=1/C6111-27-3 7812CCCCCCS 1-HEXANETPMBXCGGQ -81 InChI=1/C6111-31-9 7815C=COCCCC BUTYL VINUZKWTJUD -92 InChI=1/C6111-34-2 7817CCOCCCO 3-ETHOXY-XHMWPVBQ 160.5 InChI=1/C5111-35-3 7818

Ullmann EncycCCCC\N=C=O BUTYL ISO HNHVTXYL -75 InChI=1/C5111-36-4 7819NCCNCCO 2-(2-AMIN LHIJANUO -38 InChI=1/C4111-41-1 7821

Merck Index CCCOCCC DI(N-PROPPOLCUAVZ -122 InChI=1/C6111-43-3 7823CCCSCCC DI-N-PROPZERULLAP -102.5 InChI=1/C6111-47-7 7827O=C(CCCCCCCCCCCCCCCCC) ETHYL STE MVLVMROF 33 InChI=1/C2111-61-5 7830ClC(=O)CCCCCCC Octanoyl cREEZZSHJL -63 InChI=1/C8111-64-8 7832C=CCCCCCC OCTENE (MiKWKAKUAD -109 InChI=1/C825377-83-7 7833C=CCCCCCC 1-OCTENE KWKAKUAD -101.7 InChI=1/C8111-66-0 7833CCCCCCCN HEPTYLAMWJYIASZW -18 InChI=1/C7111-68-2 7835CCCCCCCO 1-HEPTAN BBMCTIGT -34 InChI=1/C7111-70-6 7837CCCCCCC=O HEPTANALFXHGMKSS -43.3 InChI=1/C7111-71-7 7838CCCCNCCO Ethanol, 2-LJDSTRZH -2 InChI=1/C6111-75-1 7840O=C(CCCCCCCCC=C)OC 10-UndecenKISVAASFG -27.5 InChI=1/C1111-81-9 7846O=C(CCCCCCCCCCC)OC METHYL L UQDUPQYQ 5.2 InChI=1/C1111-82-0 7847BrCCCCCCCC 1-BROMOOVMKOFRJS -55 InChI=1/C8111-83-1 7848

CRC HandbookCCCCCCCCC N-NONANEBKIMMITU -53.5 InChI=1/C9111-84-2 7849CCCCCCCCCl 1-CHLORO CNDHHGUS -57.8 InChI=1/C8111-85-3 7850CCCCCCCCN N-OCTYLA IOQPZZOE 0 InChI=1/C8111-86-4 7851

CRC HandbookCCCCCCCCS 1-OCTANETKZCOBXFF -49.2 InChI=1/C8111-88-6 7852ClCCOCOCCCl BIS(2-CHL NLXGURFL -32 InChI=1/C5111-91-1 7855CCCCNCCCC DIBUTYLA JQVDAXLF -62 InChI=1/C8111-92-2 7856O=C(O)CCCCCCCC NONANOICFBUKVWPV 12.3 InChI=1/C9112-05-0 7866CCCCCCCOC(C)=O Acetic acidZCZSIDME -50.2 InChI=1/C9112-06-1 7867

Hawley (2001)O=C(C)OCCOCCCC 2-BUTOXYENQBXSWAW -63 InChI=1/C8112-07-2 7868CC(C)OC(=O)CCCCCCCCCCCCISOPROPYLZPWFUIUN 28 InChI=1/C2112-10-7 7870CC(=O)CCCCCCCCC UNDECANOKYWIYKKS 15 InChI=1/C1112-12-9 7871CCCCCCCCOC(C)=O Acetic acid,YLYBTZIQS -38.5 InChI=1/C1112-14-1 7872ClC(=O)CCCCCCCCCCC DodecanoylNQGIJDNP -17 InChI=1/C1112-16-3 7874CC(=O)OCCCCCCCCCC DECYL ACENUPSHWCA -15 InChI=1/C1112-17-4 7875

Kirk-Othmer CN(C)CCCCCCCCCCCC N,N-DIME YWFWDNV -15 InChI=1/C1112-18-5 7876OCCOCCCCCC ETHANOL, UPGSWASW -45.1 InChI=1/C8112-25-4 7878ClCCOCCOCCCl 1,2-BIS(2 AGYUOJIY -31.5 InChI=1/C6112-26-5 7879

BrCCCCCCCCCC 1-BROMODMYMSJFSO -29.2 InChI=1/C1112-29-8 7881CRC HandbookCCCCCCCCCCO 1-DECANOMWKFXSUH 6.9 InChI=1/C1112-30-1 7882

CCCCCCCCCC=O N-DECANAKSMVZQYA -5 InChI=1/C1112-31-2 7883CCCCCCCCOC=O Formic acidAVBRYQRT -39.1 InChI=1/C9112-32-3 7884

Hawley (2001)OCCOCCOCCOC METHOXY TJLGLQAWT -44 InChI=1/C7112-35-6 7886O=C(O)CCCCCCCCCC UNDECANOIZDPHROOE 28.6 InChI=1/C1112-37-8 7888O=C(CCCCCCCCCCCCCCC)OC METHYL H FLIACVVOZ 30 InChI=1/C1112-39-0 7889

CRC Handbbok CCCCCCCCCCCC DODECANESNRUBQQJ -9.6 InChI=1/C1112-40-3 7890CCCCCCCCCCC=C N-DODECECRSBERNS -35.2 InChI=1/C1112-41-4 7891CCCCCCCCCCC=C DODECENE (CRSBERNS -35.2 InChI=1/C125378-22-7 7891CCCCCCCCCCCO 1-UNDECAKJIOQYGW 19 InChI=1/C1112-42-5 7892C=CCCCCCCCCCO 10-UndecenGIEMHYCM -2 InChI=1/C1112-43-6 7893CCCCCCCCCCC=O UndecanalKMPQYAYA -4 InChI=1/C1112-44-7 7894

CRC HandbookCCCCOCCOCCCC 1,2-DIBUT GDXHBFHO -69.1 InChI=1/C1112-48-1 7896OCCOCCOCCOCC ETHOXYTRIWFSMVVDJ -18.7 InChI=1/C8112-50-5 7898CCCCCCCCCCCCCl 1-CHLORO YAYNEUUH -9.3 InChI=1/C1112-52-7 7900

Merck Index CCCCCCCCCCCCO DODECANOLQZZUXJY 24 InChI=1/C1112-53-8 7901CCCCCCCCCCCC=O DODECANAHFJRKMMY 44.5 InChI=1/C1112-54-9 7902CCCCCCCCCCCCS DODECYL WNAHIZMD -8 InChI=1/C1112-55-0 7903NCCNCCNCCNCCN TETRAETH FAGUFWYH -30 InChI=1/C8112-57-2 7905

CRC HandbookOCCOCCOCCCCCC ETHANOL, 2GZMAAYIA -40 InChI=1/C1112-59-4 7907CRC OCCOCCOCCOCCO TETRAETHYUWHCKJMY -6.2 InChI=1/C8112-60-7 7908

O=C(CCCCCCCCCCCCCCCCC) METHYL STHPEUJPJO 39.1 InChI=1/C1112-61-8 7909N=C(N)NCCCCCCCCCCCC Dodine HILAYQUK 136 InChI=1/C1112-65-2 7912CC(=O)OCCCCCCCCCCCC DODECYL AVZWGRQBC 1.3 InChI=1/C1112-66-3 7913ClC(=O)CCCCCCCCCCCCCCC HexadecanoARBOVOVU 12 InChI=1/C1112-67-4 7914CCCCCCCCCCCCCO 1-TRIDECAXFRVVPUIA 32.5 InChI=1/C1112-70-9 7915BrCCCCCCCCCCCCCC 1-BROMO-KOFZTCST 5.6 InChI=1/C1112-71-0 7916CCCCCCCCCCCCCCO 1-TETRAD HLZKNKRT 39.5 InChI=1/C1112-72-1 7917ClC(=O)CCCCCCCCCCCCCCCCOctadecanoWTBAHSZE 23 InChI=1/C1112-76-5 7920BrCCCCCCCCCCCCCCCC 1-BROMOHHNTGIJLW 18 InChI=1/C1112-82-3 7921O=C(O)CCCCCCCCCCCCCCCC DOCOSANOIUKMSUNON 81 InChI=1/C2112-85-6 7923CCCCCCCCCCCCCCCCC=C 1-OCTADE CCCMONHA 17.5 InChI=1/C1112-88-9 7925BrCCCCCCCCCCCCCCCCCC 1-BROMOOWSULSMOG 28.2 InChI=1/C1112-89-0 7926

Merck Index CCCCCCCCCCCCCCCCCCO 1-OCTADE GLDOVTGH 59.5 InChI=1/C1112-92-5 7928CCCCCCCCCCCCCCCCCCCC EICOSANE CBFCDTFD 36.8 InChI=1/C2112-95-8 7929

CRC (2007) CCC(CCCC)CN3C(=O)C2C1CC(MGK 264 WLLGXSLB -20 InChI=1/C1113-48-4 7934Aldrich (1998) CC(=O)NNc1ccccc1 N(1)-AcetyUICBCXON 129.5 InChI=1/C8114-83-0 7951

N=C(N)NC(=N)NCCc1ccccc1 PHENFORMICFJFFQQT 176.5 InChI=1/C1114-86-3 7953Merck Index C=CC PROPENE QQONPFPT -185 InChI=1/C 115-07-1 7954Merck Index COC DIMETHYL LCGLNKUT -141.5 InChI=1/C 115-10-6 7956

C=C(C)C ISOBUTENEVQTUBCCK -140.4 InChI=1/C4115-11-7 7957C=CC(C)(C)O 3-Buten-2-oHNVRRHSX -28 InChI=1/C5115-18-4 7959ClC(Cl)(Cl)CO 2,2,2-TRI KPWDGTGX 19 InChI=1/C2115-20-8 7961

CRC (2007) CC[Si](Cl)(Cl)Cl ETHYLTRICZOYFEXPFP -105.6 InChI=1/C2115-21-9 7962

CC(C)(S(=O)(=O)CC)S(=O)(=O 2,2-BIS(E CESKLHVY 125.8 InChI=1/C7115-24-2 7964ClC2=C(Cl)C3(Cl)C1C(C(=O)OCChlorendicFLBJFXNA 233 InChI=1/C9115-27-5 7967ClC2(Cl)C1(Cl)C(Cl)=C(Cl)C2( CHLORENDIDJKGDNKY 209 InChI=1/C9115-28-6 7968

CRC (2007) OC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2DICOFOL UOAMTSKG 77.5 InChI=1/C1115-32-2 7970CC(=O)Oc1ccc(cc1)C2(c3ccccOxyphenisaPHPUXYRX 242 InChI=1/C2115-33-3 7971O=C1NC(=O)N(C)C(=O)C1(CC)MEPHOBARALARQZQTB 176 InChI=1/C1115-38-8 7972

CRC (2007) Cc1cc(cc(Br)c1O)C3(OS(=O)(=BromcresolABIUHPWE 241.5 InChI=1/C2115-40-2 7974O=C1NC(=O)NC(=O)C1(CC=C)PHENALLY WOIGZSBY 156.5 InChI=1/C1115-43-5 7975O=C1NC(=O)NC(=O)C1(CC=C)BARBITURICBJVVMKUX 109 InChI=1/C1115-44-6 7976Nc1ccc(cc1)S(=O)(=O)NC(=O)Sulfadicra XRVJPLDT 184.5 InChI=1/C1115-68-4 7980CCC(N)(CO)CO 1,3-PropanIOAOAKDO 37.5 InChI=1/C5115-70-8 7981CCC(CC)(CO)CO 2,2-DIETH XRVCFZPJ 61.5 InChI=1/C7115-76-4 7983

CRC(2007) OCC(CO)(CO)CO PENTAERYTWXZMFSXD 258 InChI=1/C5115-77-5 7984O=P(Oc1ccccc1)(Oc2ccccc2)OTRIPHENY XZZNDPSI 50.5 InChI=1/C1115-86-6 7988

IARC ClCCOP(=O)(OCCCl)OCCCl TRI-2-CHL HQUQLFOM -55 InChI=1/C6115-96-8 7994CC1(C)CC(C)CC(O)C1 CyclohexanoBRRVXFOK 37.3 InChI=1/C9933-48-2 7997CC1(C)CC(C)CC(O)C1 CyclohexanoBRRVXFOK 55.8 InChI=1/C9767-54-4 7997

CRC (2007) F/C(F)=C(/F)F TETRAFLU BFKJFAAPB -131.15 InChI=1/C2116-14-3 8000F/C(F)=C(/F)C(F)(F)F HEXAFLUOHCDGVLDP -156.5 InChI=1/C3116-15-4 8001Clc1cc(c(Cl)cc1Cl)S(=O)(=O)c2TETRADIF MLGCXEBR 147 InChI=1/C1116-29-0 8004O=S(=O)(Nc1cnccn1)c2ccc(N)Sulfapyraz YEAICDDX 251 InChI=1/C1116-44-9 8008ClC(Cl)C(=O)OC METHYL D HKMLRUAP -51.9 InChI=1/C3116-54-1 8013

Lide, DR, ET ALO=C3c2ccc9c1c(ccc(c12)c4ccViolanthroYKSGNOMLA 492.5 InChI=1/C3116-71-2 8015O=C2c1ccccc1C(=O)c3c2c(N)1-AMINO- AQXYVFBS 216 InChI=1/C1116-85-8 8020O=C1OC(=O)c2c1c(Cl)c(Cl)c(C1,3-IsobenzAUHHYELH 254.5 InChI=1/C8117-08-8 8023Oc3cccc2c3C(=O)c1cccc(O)c 1,5-DIHY JPICKYUTI 280 InChI=1/C1117-12-4 8025OC(=O)C(c1ccccc1)c2ccccc2 DIPHENYLAPYHXGXCG 147 InChI=1/C1117-34-0 8030

CRC (2007) Nc2ccc3C(=O)c1ccccc1C(=O) 2-AMINOAXOGPDSAT 304.5 InChI=1/C1117-79-3 8038O=C2c1ccccc1C(=O)C(Cl)=C2CDICHLONE SVPKNMBR 195 InChI=1/C1117-80-6 8039

Lewis,RJ (2001O=C(OCCOC)c1ccccc1C(=O) BIS(METHOHSUIVCLOA -45 InChI=1/C1117-82-8 8041Lewis,RJ (2001O=C(OCCOCCCC)c1ccccc1C( BIS (2-BU CMCJNODI -55 InChI=1/C2117-83-9 8042CRC HandbookO=C(OCCCCCCCC)c1ccccc1C DIOCTYL P MQIUGAXC 25 InChI=1/C2117-84-0 8043

O=C(c1ccccc1O)c2ccccc2 O-HYDROXHJIAMFHS 40 InChI=1/C1117-99-7 8045O[C@H](C2CC1CCN2CC1C=C)cCINCHONI KMPWYEU 265 InChI=1/C1118-10-5 8047COc1c(cc(cc1OC)C(=O)O)OC Benzoic aciSJSOFNCY 172.3 InChI=1/C1118-41-2 8054Nc1cccc2ccc(O)cc12 2-NaphthalKVHHMYZB 206 InChI=1/C1118-46-7 8055O=C1N(Cl)C(=O)N(Cl)C1(C)C 1,3-DICHL KEQGZUUP 132 InChI=1/C5118-52-5 8057Oc2ccccc2C(=O)Oc1ccccc1 PHENYL 2- ZQBAKBUE 130.5 InChI=1/C1118-55-8 8058CCC(N)Cc2cnc1ccccc12 1H-INDOLE-ZXUMUPVQ 97 InChI=1/C12235-90-7 8064Clc1cccc(Cl)c1C 2,6-DICHL DMEDNTFW 25.8 InChI=1/C7118-69-4 8065CC=1OC=CC(=O)C=1O 4H-PYRAN-XPCTZQVD 161.5 InChI=1/C6118-71-8 8066Clc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl HEXACHLOCKAPSXZOO 231.8 InChI=1/C6118-74-1 8067ClC=1C(=O)C(Cl)=C(Cl)C(=O)CCHLORANILUGNWTBMO 290 InChI=1/C6118-75-2 8068Cc1ccccc1C(O)=O O-TOLUIC ZWLPBLYK 103.7 InChI=1/C8118-90-1 8070OC(=O)c1ccccc1Cl 2-CHLOROBIKCLCGXPQ 140.2 InChI=1/C7118-91-2 8071

Merck Index Cc1c(cc(cc1[N+](=O)[O-])[N+]2,4,6-TRI SPSSULHK 80.1 InChI=1/C7118-96-7 8073O=C(OCCCCCCCC)c1ccccc1C N-OCTYL NLVAGMBHL -40 InChI=1/C2119-07-3 8077CCOP(=S)(OCC)OC=1C=CC(=OPYRIDAPH CXJSOEPQ 55 InChI=1/C1119-12-0 8078COc1ccc(cc1[N+]([O-])=O)[N+2,4-DINIT CVYZVNVP 94.5 InChI=1/C7119-27-7 8080OC(=O)c1cc(I)ccc1O BENZOIC ASWDNKOFG 190 InChI=1/C7119-30-2 8083O=[N+]([O-])c1cc(N)ccc1C 2-NITRO-P GDIIPKWH 116.3 InChI=1/C789-62-3 8085O=[N+]([O-])c1cc(C)ccc1O 4-METHYL-SYDNSSSQ 36.5 InChI=1/C7119-33-5 8086O=C1NN=Cc2ccccc12 1,2(H)-PH IJAPPYDYQ 188 InChI=1/C8119-39-1 8088O=C(OCC)COc1ccc2c(c1)OC(=Efloxate ZVXBAHLO 123.7 InChI=1/C1119-41-5 8089CC(C)(C)c2cc(C)cc(Cc1cc(C)c BIS (2-HY KGRVJHAU 123 InChI=1/C2119-47-1 8092OC(C(=O)c1ccccc1)c2ccccc2 BENZOIN ISAOCJYIO 137 InChI=1/C1119-53-9 8093OC(C(=O)c1ccccc1)c2ccccc2 DL-BENZOIISAOCJYIO 137 InChI=1/C1579-44-2 8093OC(c1ccc(Cl)cc1)c2ccccc2 BENZENEMEAJYOOHCN 60.75 InChI=1/C1119-56-2 8094Nc1ccc(cc1)S(=O)c2ccc(N)cc24,4'-SulfinyMITHMOYL 175 InChI=1/C1119-59-5 8095c1ccc2CCCCc2c1 TETRALIN CXWXQJXE -35.7 InChI=1/C1119-64-2 8097c1cccc2ccncc12 ISOQUINOLAWJUIBRH 26.47 InChI=1/C9119-65-3 8098OC(=O)c1ccccc1C=O Benzoic aciDYNFCHNN 98 InChI=1/C8119-67-5 8099[O-][N+](=O)c2ccccc2Nc1ccc 2-NITRO-NRUKISNQK 75 InChI=1/C1119-75-5 8100

Aldrich (1998) O=C(O)c2ccccc2SSc1ccccc1CBenzoic aciLBEMXJWG 288.5 InChI=1/C1119-80-2 8102Nc1ccc(cc1OC)c2ccc(N)c(OC)3,3'-DIME JRBJSXQP 137 InChI=1/C1119-90-4 8104c1cccc2ccc(nc12)c3ccc4cccc 2,2'-BIQUI WPTCSQBW 194.5 InChI=1/C1119-91-5 8105Cc1cc(ccc1N)c2ccc(N)c(C)c2 BIANISIDINNUIURNJT 131.5 InChI=1/C1119-93-7 8106OCCN(CCO)c1ccccc1 PHENYLDI OJPDDQSC 57 InChI=1/C1120-07-0 8109COc1cc2C=CC(=O)Oc2cc1OC ScoparoneGUAFOGOE 145.5 InChI=1/C1120-08-1 8110

CRC (2007) c1ccc2cc3ccccc3cc2c1 ANTHRACEMWPLVEDN 215 InChI=1/C1120-12-7 8111O=S(=O)(O)c1ccc2ccccc2c1 NAPHTHALEKVBGVZZKJ 91 InChI=1/C1120-18-3 8113O=C(O)COc1ccc2ccccc2c1 ACETIC AC RZCJYMOB 156 InChI=1/C1120-23-0 8115Oc2ccc(Cl)cc2Cc1ccccc1 5-CHLORO NCKMMSIF 48.5 InChI=1/C1120-32-1 8118

Lide Clc1cc(Cl)ccc1OC(C)C(=O)O DICHLORP MZHCENGP 117.5 InChI=1/C9120-36-5 8120Tomlin, CDS (1Clc1cc(Cl)ccc1OC(C)C(=O)O Propanoic aMZHCENGP 122 InChI=1/C915165-67-0 8120

O=C(CC(=O)c1ccccc1)c2ccccc1,3-PropanNZZIMKJI 70.5 InChI=1/C1120-46-7 8126O=C(OCCOCCOC(=O)c1ccccc1DIETHYLENNXQMCAOP 33.5 InChI=1/C1120-55-8 8129Cc1nc2ccccc2s1 2-METHYL DXYYSGDW 14 InChI=1/C8120-75-2 8138c1cccc2sc(nc12)SSc3nc4cccc 2,2'-DITH AFZSMODLJ 180 InChI=1/C1120-78-5 8139

CRC (2008) Clc1cc(Cl)c(O)cc1 2,4-DICHL HFZWRUOD 45 InChI=1/C6120-83-2 8140O=C1CCCC1 CYCLOPENBGTOWKSI -51.3 InChI=1/C5120-92-3 8141O=C1NCCN1 2-Imidazol YAMHXTCM 131 InChI=1/C3120-93-4 8142

LIDE, DR ET AL.Oc1ccc(cc1C(C)(C)CC)C(C)(C) 2,4-Di-t-peWMVJWKUR 25 InChI=1/C1120-95-6 8144Cc3cccc(C)c3OP(=O)(Oc1c(C)Phenol, 2,6QLORRTLB 137.8 InChI=1/C2121-06-2 8149Cc1ccc(cc1[N+](=O)[O-])[N+]2,4-DINIT RMBFBMJG 71 InChI=1/C7121-14-2 8150O=[N+]([O-])c1cc(ccc1Cl)C(F)Benzene, 1-TZGFQIXR -2.5 InChI=1/C7121-17-5 8151CCOc1cc(ccc1O)C=O BENZALDEHCBOQJANX 77.5 InChI=1/C9121-32-4 8154Oc1ccc(cc1OC)C(=O)O 4-HYDROXYWKOLLVMJ 211.5 InChI=1/C8121-34-6 8155COB(OC)OC TRIMETHYLWRECIMRU -34 InChI=1/C363156-11-6 8157

CRC (2000) COB(OC)OC METHYL B WRECIMRU -29.3 InChI=1/C3121-43-7 8157

CRC HandbookCCN(CC)CC TRIETHYLAZMANZCXQ -114.7 InChI=1/C6121-44-8 8158Aldrich (2000) COP(OC)OC TRIMETHYLCYTQBVOF -78 InChI=1/C3121-45-9 8159

C1=CC2C=CC1C2 BICYCLO(2.SJYNFBVQF -19.1 InChI=1/C7121-46-0 8160Nc1ccc(cc1)S(O)(=O)=O BENZENESUHVBSAKJJO 288 InChI=1/C6121-57-3 8166O=C(N)Nc1ccc(cc1)[As](O)(OCarbarson WWXBHTZS 174 InChI=1/C7121-59-5 8167O=S(Cl)(=O)c1ccc(NC(C)=O)c BenzenesulfGRDXCFKB 149 InChI=1/C8121-60-8 8168O=S(N)(=O)c1ccc(NC(C)=O)ccACETAMIDEPKOFBDHY 219.5 InChI=1/C8121-61-9 8169O=C(C)c1cc(O)ccc1 M-HYDROXLUJMEECX 96 InChI=1/C8121-71-1 8174O=[N+]([O-])N1CN(CN(C1)[N+]1,3,5,-TRI XTFIVUDB 205.5 InChI=1/C3121-82-4 8177Cc1ccc(cc1Cl)[N+]([O-])=O 2-CHLORO-LLYXJBRO 66.5 InChI=1/C7121-86-8 8178

CRC HandbookNc1ccc(cc1Cl)[N+]([O-])=O 2-CHLORO-LOCWBQIW 108 InChI=1/C6121-87-9 8179O=[N+]([O-])c1cc(ccc1)C(Cl) Benzoyl chlNXTNASSY 36 InChI=1/C7121-90-4 8181OC(=O)c1cccc(c1)C(=O)O ISOPHTHALQQVIHTHC 347 InChI=1/C8121-91-5 8182O=[N+]([O-])c1cc(ccc1)C(=O)M-NITROBEAFPHTEQT 141 InChI=1/C7121-92-6 8183Cc1ccc(cc1)C(=O)C P-METHYL GNKZMNRK 28 InChI=1/C9122-00-9 8186O=C(Cl)c1ccc(Cl)cc1 Benzoyl chlRKIDDEGIC 16 InChI=1/C7122-01-0 8187O=[N+]([O-])c1ccc(cc1)C(Cl) Benzoyl chlSKDHHIUE 75 InChI=1/C7122-04-3 8188O=C3c1ccccc1C(=O)c2c3ccc(C1-CHLORO NMFBXBSN 170.5 InChI=1/C1129-35-1 8195O=C3c1ccccc1C(=O)c2c3cccc1-HYDROXBTLXPCBP 193.8 InChI=1/C1129-43-1 8198Nc3cccc2c3C(=O)c1cccc(N)c 9,10-AnthrVWBVCOPV 319 InChI=1/C1129-44-2 8199[O-][N+](=O)c1cc3c(cc1)c2c( 9H-FLUORENVHQGURIJ 176 InChI=1/C1129-79-3 8207O=C2C=CC(=O)c1ccccc12 1,4-NAPH FRASJONU 128.5 InChI=1/C1130-15-4 8215[O-][N+](=O)c1cc(c(O)c(c1)[ 2-CYCLOHEQJYHUJAG 107 InChI=1/C1131-89-5 8223O=C(O)c4cc1ccccc1c(Cc2c3c Pamoic AciWLJNZVDC 315 InChI=1/C2130-85-8 8228

ALDRICH (2000O=S(=O)(O)c2ccc3C(=O)c1ccc2-AnthracenMMNWSHJJ 300 InChI=1/C1131-08-8 8234Clc2ccc3C(=O)c1ccccc1C(=O)9,10-AnthrFPKCTSIV 211 InChI=1/C1131-09-9 8235

Lewis,RJ (2001O=C(OCC=C)c1ccccc1C(=O)ODIALLYLPHQUDWYFHP -70 InChI=1/C1131-17-9 8242Lewis,RJ (2001O=C(OCCCCC)c1ccccc1C(=O) DI-N-AMYLIPKKHRVRO -55 InChI=1/C1131-18-0 8243

O=C(O)c1c(OC)c(OC)ccc1C(= NARCEINE DEXMFYZA 138 InChI=1/C2131-28-2 8246O=C(c1ccc(cc1O)OC)c2ccccc Dioxybenz MEZZCSHV 68 InChI=1/C1131-53-3 8251O=C(c1ccc(cc1O)OC)c2ccc(O Methanone,SODJJEXA 139.5 InChI=1/C1131-54-4 8252

ALDRICH (2000O=C(c1ccc(O)cc1O)c2ccc(O)c2,2',4,4'- WXNRYSGJ 201.5 InChI=1/C1131-55-5 8253O=C(c1ccc(O)cc1O)c2ccccc2 Methanone,ZXDDPOHV 144 InChI=1/C1131-56-6 8254O=C(O)c1ccccc1C(=O)OC(C)( PhthalofynCZGIRAWW 97 InChI=1/C1131-67-9 8255O=S(=O)(NC(C)=O)c2ccc(NC(=Phthalylsu SNWQKAWI 196 InChI=1/C1131-69-1 8256

LIDE, DR ET AL.O=C(O)c1ccccc1C(=O)OCCCCMonobutyl YZBOVSFW 73.5 InChI=1/C1131-70-4 8257Cc3ccccc3/N=N/c1c2ccccc2cYellow OB BWLVSYUU 125.5 InChI=1/C1131-79-3 8260O=Nc1c2ccccc2ccc1O 1-NITROSOYXAOOTNF 109.5 InChI=1/C1131-91-9 8262

ALDRICH (2000Nc2cc3c1ccccc1n(CC)c3cc2 3-Amino-9-OXEUETBF 99 InChI=1/C1132-32-1 8269O=C(O)c1cc(nc2ccccc12)c3cc2-PHENYLCYTRMTPPV 214.5 InChI=1/C1132-60-5 8274O=C(O)c1ccccc1C(=O)Nc3cccNPA (NAPTJXTHEWSKY 185 InChI=1/C1132-66-1 8275N#CCc2cccc1ccccc12 1-NaphthalOQRMWUN 32.5 InChI=1/C1132-75-2 8277Oc2cc(O)cc1ccccc12 NAPHTHALEXOOMNEFV 123.5 InChI=1/C1132-86-5 8282ClC(Cl)(Cl)SN2C(=O)C1CC=C CAPTAN LDVVMCZR 178 InChI=1/C9133-06-2 8287Oc2cc(N)ccc2C(=O)Oc1ccccc PHENYL-4-DNVVZWSV 153 InChI=1/C1133-11-9 8290

CC(C)c2oc1cc3OC(=O)C=Cc3 Peucedani YQBNJPAC 85 InChI=1/C1133-26-6 8297O=C(O)CCCc2cnc1ccccc12 3-INDOLEBJTEDVYBZB 124.5 InChI=1/C1133-32-4 8298

Lide, DR ET AL.Clc1c(S)c(Cl)c(Cl)c(Cl)c1Cl PentachlorLLMLGZUZ 231.5 InChI=1/C6133-49-3 8301Cc1cc(O)c(Cl)c(C)c1Cl Phenol, 2,4IYOLBFFH 83 InChI=1/C8133-53-9 8302Clc1cc(C(=O)O)c(Cl)c(N)c1 3-AMINO-2HSSBORCLY 200 InChI=1/C7133-90-4 8309Ic1cc(C(=O)O)c(O)c(I)c1 3,5-DIIODODHZVWQPH 235.5 InChI=1/C7133-91-5 8310Nc2cccc1ccccc12 1-NAPHTHRUFPHBVG 49.2 InChI=1/C1134-32-7 8319Nc1cc(ccc1)N2C=CC=CC2=O Amphenid ZVSGUZQJ 183 InChI=1/C1134-37-2 8320O=C1N=C(N)Nc2nnnc12 8-AZAGUALPXQRXLUH 300 InChI=1/C4134-58-7 8325O=C(C(=O)c1ccccc1)c2ccccc2BENZIL WURBFLDF 94.8 InChI=1/C1134-81-6 8329Cc1ccc(cc1)C(=O)c2ccccc2 Methanone,WXPWZZHE 59.5 InChI=1/C1134-84-9 8330

CRC Handbook O=C(c1ccc(Cl)cc1)c2ccccc2 Methanone,UGVRJVHO 77.5 InChI=1/C1134-85-0 8331COc1cc(cc(OC)c1O)C=O BenzaldehyKCDXJAYR 113 InChI=1/C9134-96-3 8333CCc1ccccc1CC O-DIETHYLKVNYFPKFS -31.2 InChI=1/C1135-01-3 8335Oc1ccc2ccccc2c1 2-NAPHTHJWAZRIHNY 123 InChI=1/C1135-19-3 8341

LIDE, DR ET AL.c3n(CN1CCCCC1)c2ccccc2c3CIndole, 3,3QDDZNCHA 138 InChI=1/C2135-22-8 8344c1c3cc4cc5ccccc5cc4cc3cc2cPENTACENSLIUAWYAI 257 InChI=1/C2135-48-8 8347Clc1ccc(cc1)c2ccc(N)cc2 4-Amino-4'OREQWMWY 134 InChI=1/C1135-68-2 8351c1cc(ccc1c2ccccc2)c3ccc(cc31,1':4',1'': GPRIERYV 320 InChI=1/C2135-70-6 8353c1cc3ccccc3cc1Nc2ccccc2 N-PHENYL-KEQFTVQC 108 InChI=1/C1135-88-6 8355CCC(C)c1ccccc1 SEC-BUTYLZJMWRROP -82.7 InChI=1/C1135-98-8 8356CCC(C)c1ccccc1 ISOBUTYLBZJMWRROP -51.4 InChI=1/C1538-93-2 8356Clc1cc(OCCOC(=O)C(C)(Cl)Cl)cERBON KMHZPJNV 49.5 InChI=1/C1136-25-4 8362N(=N\Nc1ccccc1)\c2ccccc2 1,3-DIPHE ALIFPGGM 98 InChI=1/C1136-35-6 8365

ALDRICH (2000O=C(Oc1cccc(O)c1)c2ccccc2 Resorcinol GDESWOT 134 InChI=1/C1136-36-7 8366O=C(OCCCC)c1ccccc1 BUTYL BENXSIFPSYPO -22.4 InChI=1/C1136-60-7 8374Clc1cc(Cl)ccc1OCCOS(=O)(=O2,4-DES HJEINPVZR 170 InChI=1/C8149-26-8 8377CCOc1ccc(cc1N)[N+]([O-])=OBenzenaminAMMPGYPP 96.5 InChI=1/C8136-79-8 8378

Aldrich (1998) Cc1cc2nnnc2cc1 1H-BenzotrLRUDIIUS 81 InChI=1/C7136-85-6 8381Nc1nc2ccccc2s1 2-AMINOBUHGULLIUJ 132 InChI=1/C7136-95-8 8382

Ullmann A19:3Oc1ccc(cc1CCCCCCCCC)CCC Phenol, 2,4FDAJTLLB -13 InChI=1/C2137-99-5 8406OC(C)C(=O)OCCCC BUTYL LACMRABAEUH -28 InChI=1/C7138-22-7 8409CC1(O)CCC(CC1)C(=C)C BETA-TERPRUJPNZNX 32.5 InChI=1/C1138-87-4 8418CN(C)c1ccc(N=O)cc1 P-NITROSOCMEWLCAT 92.5 InChI=1/C8138-89-6 8419Nc2ccc(Oc1ccccc1)cc2 P-PHENOXYWOYZXEVU 83 InChI=1/C1139-59-3 8434Nc1ccc(cc1)Sc2ccc(N)cc2 4,4'-THIODICNFHJVP 108.5 InChI=1/C1139-65-1 8435c1ccccc1Sc2ccccc2 DIPHENYLSLTYMSROW -25.9 InChI=1/C1139-66-2 8436

CRC Handbook CCN(CCO)CCO Ethanol, 2,AKNUHUCE -50 InChI=1/C6139-87-7 8439O=C(Nc1ncc(s1)[N+]([O-])=O NITHIAZID FQSUTLQH 228 InChI=1/C6139-94-6 8446O=C(NNc1ccccc1)NNc2ccccc Carbonic diKSPIHGBHK 170 InChI=1/C1140-22-7 8459CCCCCCCCCCCC(=O)OCc1ccccDodecanoicQNRYOQRU 8.5 InChI=1/C1140-25-0 8461C(NCc1ccccc1)CNCc2ccccc2 1,2-EthaneJUHORIMY 26 InChI=1/C1140-28-3 8463NCCN1CCNCC1 1-Piperazi IMUDHTPI -19 InChI=1/C6140-31-8 8465O=C(C)Nc1ncc(s1)[N+]([O-]) NITHIAMIDUJRRDDHE 264.5 InChI=1/C5140-40-9 8468Clc1ccc(NC(=O)N(C)C)cc1 MONURONBMLIZLVNX 170.5 InChI=1/C9150-68-5 8470

Sax CC(C)(C)c1ccc(OCC(C)OS(=O)ARAMITE YKFRAOGH -31.7 InChI=1/C1140-57-8 8479Oc1ccc(cc1)C(C)(C)CC(C)(C)C P-(1,1,3, ISAVYTVY 84.5 InChI=1/C1140-66-9 8483N#CCC(=O)NN CyacetacidHPHBOJAN 114.5 InChI=1/C3140-87-4 8489

CRC (2007) C=CC(=O)OCC ETHYL ACRJIGUQPWF -71.2 InChI=1/C5140-88-5 8490OCNC(=O)NCO DIMETHYLOQUBQYFYW 126 InChI=1/C3140-95-4 8496CC(C)COC(=O)CCCCC(=O)OCCDIISOBUTYRDOFJDLL -20 InChI=1/C1141-04-8 8499CCCCOCCOCCOC(=O)CCCCC( BIS(2-(2- SCABKEBY -47 InChI=1/C2141-17-3 8504

CRC (2007) C=CC(=O)OCCCC BUTYL ACRCQEYYJKE -64.6 InChI=1/C7141-32-2 8514CC(C)(C)CC(C)(C)S T-OCTYL MQZLAEIZEP -74 InChI=1/C8141-59-3 8519C[Si](C)(C)O[Si](C)(C)O[Si](C) DECAMETHYFCGDEUV -76 InChI=1/C1141-62-8 8520C[Si](C)(C)O[Si](C)(C)O[Si](C) DODECAMEFBZANXDW -80 InChI=1/C1141-63-9 8521CCCC(Cl)=O Butanoyl c DVECBJCO -89 InChI=1/C4141-75-3 8523ICCC(=O)O 3-IODOPROKMRNTNDW 81.5 InChI=1/C3141-76-4 8524CC(=O)OCC ETHYL ACEXEKOWRVH -83.6 InChI=1/C4141-78-6 8525

CRC HandbookC\C(C)=C/C(C)=O MESITYL OSHOJXDKT -59 InChI=1/C6141-79-7 8526N=C(N)NC(N)=O Urea, (ami SQSPRWME 105 InChI=1/C2141-83-3 8527Nc1cccc(N)n1 2,6-Pyridi VHNQIURB 121.5 InChI=1/C5141-86-6 8528CCc1cccc(CC)c1 M-DIETHYLAFZZYIJIW -83.9 InChI=1/C1141-93-5 8531Oc1ccccn1 2-HYDROXYUBQKCCHY 107.8 InChI=1/C5142-08-5 8537Oc1ccccn1 2-HYDROXYUBQKCCHY 107.8 InChI=1/C572762-00-6 8537

ALDRICH (2000C=CCOC(=O)OCCOCCOC(=O) DIALLYL D JHQVCQDW -4 InChI=1/C1142-22-3 8541CC(=O)NCCO Acetamide,PVCJKHHO 16 InChI=1/C4142-26-7 8542ClCCCCl 1,3-DICHL YHRUOJUY -99.5 InChI=1/C3142-28-9 8543C1C=CCC1 CYCLOPENLPIQUOYD -135.1 InChI=1/C5142-29-0 8544CC(O)(C)C#CC(C)(C)O 2,5-DIMETIHJUECRF 95 InChI=1/C8142-30-3 8545CCCCCC(=O)O HEXANOIC FUZZWVXG -3 InChI=1/C6142-62-1 8552C1CCCCO1 TETRAHYDDHXVGJBL -45 InChI=1/C5142-68-7 8554O=C(O)CNCC(=O)O Glycine, N NBZBKCUXI 247.5 InChI=1/C4142-73-4 8557

CRC HandbookCCCCCCC N-HEPTANIMNFDUF -90.6 InChI=1/C7142-82-5 8560CRC HandbookCCCNCCC DIPROPYL WEHWNAOG -63 InChI=1/C6142-84-7 8562

C=C(C)C(=O)OCCCCCCCCCCC DODECYL 2GMSCBRSQ -7 InChI=1/C1142-90-5 8566CRC (2008) CC(C)OC(=O)CCCCCCCCCCCCISOPROPYLXUGNVMKQ 13.5 InChI=1/C1142-91-6 8567

O=C(C)OCCCCCC N-HEXYL AAOGQPLXW -80.9 InChI=1/C8142-92-7 8568CRC HandbookCCCCOCCCC DI-N-BUTYDURPTKYD -95.2 InChI=1/C8142-96-1 8569Lide CCCCCCCCCO 1-NONANOZWRUINPW -5 InChI=1/C9143-08-8 8574

CCCCCCCCCCN N-DECYLA MHZGKXUY 17 InChI=1/C12016-57-1 8576CCCCCCCCCCS 1-DECANETVTXVGVNL -26 InChI=1/C1143-10-2 8577CC(=O)OCCCCCCCCC Acetic acidGJQIMXVR -26 InChI=1/C1143-13-5 8578BrCCCCCCCCCCCC 1-BROMO-PBLNBZION -9.5 InChI=1/C1143-15-7 8579CCCCCCNCCCCCC 1-HexanamiPXSXRABJ -13.1 InChI=1/C1143-16-8 8580

Patty's OCCOCCOCCOCCCC TRIETHYLECOBPKKZH -30 InChI=1/C1143-22-6 8581NCCCCCCNCCCCCCN 1,6-HexaneMRNZSTMR 33 InChI=1/C1143-23-7 8582CCCCCCCCCCCCCCCCN N-HEXADEFJLUATLT 46.8 InChI=1/C1143-27-1 8584O=C(OCC)C2(CCN(CCc1ccc(N)AnileridineLKYQLAWM 83 InChI=1/C2144-14-9 8600CC(C)(CO)C(O)C(C)C 2,2,4-TRI JCTXKRPTI 51.5 InChI=1/C8144-19-4 8602

Oc1ccc(Cl)c2CCCc12 CHLORINDATAJVFBUU 92 InChI=1/C9145-94-8 8617O=C(OC)[C@H]2[C@@H](O)CAPHRODINBLGXFZZNT 241 InChI=1/C2146-48-5 8622

LIDE, DR ET AL.CC2=CC(C)(C)Nc1ccccc12 1,2-DihydroZNRLMGFX 26.5 InChI=1/C1147-47-7 8633COC(OC)OC TRIMETHOPYOKUURK 15 InChI=1/C4149-73-5 8655CCOB(OCC)OCC TRIETHYL AJSTXXYN -84.8 InChI=1/C6150-46-9 8659CCCCSP(SCCCC)SCCCC MERPHOS KLAPGAOQ 100 InChI=1/C1150-50-5 8661S(SCc1ccccc1)Cc2ccccc2 Disulfide, GVPWHKZI 71.5 InChI=1/C1150-60-7 8662CCOc1ccc(cc1)NC(N)=O Dulcin GGLIEWRL 173.5 InChI=1/C9150-69-6 8663

CRC Handbook Oc1ccc(OC)cc1 P-METHOXNWVVVBRK 57 InChI=1/C7150-76-5 8665COc1cccc(OC)c1 M-DIMETHDPZNOMCN -52 InChI=1/C8151-10-0 8674CCC(C)(O)CCC(C)CC 3-Octanol, NPHCXUPG -67.5 InChI=1/C1151-19-9 8676C1CN1 AZIRIDINE NOWKCMXC -77.9 InChI=1/C2151-56-4 8682CN(C)P(=O)(OP(=O)(N(C)C)N(OCTAMETHSZKKRCSOS 17 InChI=1/C8152-16-9 8685COc2nccnc2NS(=O)(=O)c1cccSULFALENEKXRZBTAE 176 InChI=1/C1152-47-6 8695Clc1ccc(cc1)N2C(N)=NC(N)=NCycloguaniQMNFFXRF 146 InChI=1/C1516-21-2 8697O=Nc2ccc(Nc1ccccc1)cc2 4-NITROSOOIJHFHYP 143 InChI=1/C1156-10-5 8721OC(=O)C(N)CC1CC1=C HypoglycinOOJZCXFXP 282 InChI=1/C7156-56-9 8728NCCCO PROPANOLWUGQZFFC 11 InChI=1/C 156-87-6 8733C1CC12CC2 SPIROPEN OGNAOIGA -134.6 InChI=1/C5157-40-4 8734c2cc5cc1ccccc1c6ccc3c(c2cc DIBENZO(ATUGYIJVA 281.5 InChI=1/C2189-55-9 8752c2cc3cc1ccccc1c4ccc5cc6cccDIBENZO[ARXUSYFJG 317 InChI=1/C2189-64-0 8754c1cc2ccc3ccc7ccc6ccc5ccc1cCORONENEVPUGDVKS 437.3 InChI=1/C2191-07-1 8761c3cc2ccc1cccc6c1c2c4c3ccc5BENZO(GHIGYFAGKUZ 278 InChI=1/C2191-24-2 8763c1cccc6c1cc3ccc2cccc4c2c3cDIBENZO[aJNTHRSHG 162.4 InChI=1/C2191-30-0 8765c3cc4c2ccc1cccc5c1c2c(cc4cDIBENZO[aKGHMWBNE 233.5 InChI=1/C2192-65-4 8772c3ccc2ccc1cccc4c1c2c3c5cccBENZO(E)PTXVHTIQJN 177.5 InChI=1/C2192-97-2 8774c5ccc6c1cc2cccc3ccc4ccc(c1 INDENO(1,SXQBHARY 163.6 InChI=1/C2193-39-5 8777c1cccc3c1ccc2nc4ccc5ccccc57H-DIBENZSTJXCDGC 158 InChI=1/C2194-59-2 8780c3cc2ccc1ccccc1c2c4ccccc34BENZO(C) TUAHORSU 68 InChI=1/C1195-19-7 8782c1ccc5cccc4c5c1c2cccc3ccccPERYLENE CSHWQDPO 274 InChI=1/C2198-55-0 8788c1cc2cccc3Cc4cccc1c4c23 4,5-METH RKZDZWJD 114 InChI=1/C1203-64-5 8793c1cc5ccccc5c4c1c2cccc3ccccBENZO(J)F KHNYNFUT 166 InChI=1/C2205-82-3 8798c1cccc5c1cc4c2c5cccc2c3cccBENZO(B) FTOVXSOB 168 InChI=1/C2205-99-2 8799c1cccc4c1c2cccc3cccc4c23 FLUORANTGVEPBJHOB 107.8 InChI=1/C1206-44-0 8800c3c5c1cccc2cccc(c12)c5cc4c BENZO(K) HAXBIWFM 217 InChI=1/C2207-08-9 8804c1cc2cccc3C=Cc(c1)c23 ACENAPHTHXGDTGSA 92.5 InChI=1/C1208-96-8 8807c3cc5ccccc5c4ccc2c(ccc1ccc PICENE GBROPGWF 368 InChI=1/C2213-46-7 8808c3cc4c1ccccc1c2cc5ccccc5cc1,2,3,4-D RAASUWZP 206 InChI=1/C2215-58-7 8810c3cc4c1ccccc1c2ccccc2c4cc3TRIPHENYLSLGBZMMZ 199 InChI=1/C1217-59-4 8816c1cc4ccccc4c2ccc3ccccc3c12CHRYSENEWDECIBYC 258.2 InChI=1/C1218-01-9 8817c3cccc4ccc2nc5ccc1ccccc1c5DIBENZ[a,jANUCHZVC 216 InChI=1/C2224-42-0 8822c1c3c4ccccc4ccc3nc2ccccc12BENZ(C)ACJEGZRTMZ 132 InChI=1/C1225-51-4 8825c2cccc3ccc1nc4c5ccccc5ccc4DIBENZ(A, JNCSIWAO 226 InChI=1/C2226-36-8 8828c1cccc2cnc3ccccc3c12 PHENANTHRDOWQLZA 107.4 InChI=1/C1229-87-8 8834c1cccc2nnc3ccccc3c12 5,6-DIAZA SWJXWSAK 158 InChI=1/C1230-17-1 8835

c1cccc3c1ccc2cccnc23 BENZO(H)QWZJYKHNJ 52 InChI=1/C1230-27-3 8836c1ccc2c3Cc4ccccc4c3ccc2c1 11H-BENZOHKMTVMBE 189.5 InChI=1/C1238-84-6 8840c1ccc2c3sc4ccccc4c3ccc2c1 BENZO(B)NYEUHHUCO 189 InChI=1/C1239-35-0 8843c1cccc2Cc3cc4ccccc4cc3c12 11H-BENZOHAPOJKSP 212 InChI=1/C1243-17-4 8846c1cccc2cnncc12 PHTHALAZILFSXCDWN 90.5 InChI=1/C8253-52-1 8852c1cnnc2ccccc12 CINNOLINEWCZVZNOTH 38 InChI=1/C8253-66-7 8853c1cccc2ncncc12 QUINAZOLIJWVCLYRU 48 InChI=1/C8253-82-7 8855c1cc2Nc3ccccc3C=Cc2cc1 5-AZADIBELCGTWRLJ 198 InChI=1/C1256-96-2 8857c1c3ccccc3nc2ccccc12 ACRIDINE DZBUGLKD 108 InChI=1/C1260-94-6 8860c1ccc2Oc3ccccc3Oc2c1 DIBENZO-PNFBOHOGP 122 InChI=1/C1262-12-4 8861c1cccc2nncc12 INDAZOLE BAXOFTOL 148 InChI=1/C7271-44-3 8866

ALDRICH (2000c1ccnc2nccc12 1H-Pyrrolo(MVXVYAKC 106 InChI=1/C7271-63-6 8867c1cccc2sncc12 1,2-BENZI CSNIZNHT 38 InChI=1/C7272-16-2 8870c1cncc2ncnc12 1H-IMIDAZUBOOKRVG 149.5 InChI=1/C6273-21-2 8872c1cccc2ocnc12 BENZOXAZBCMCBBGG 31 InChI=1/C7273-53-0 8873c1ccc2ccccn12 INDOLIZIN HOBCFUWD 75 InChI=1/C8274-40-8 8875c1cccc2cccc2c1 AZULENE CUFNKYGD 99 InChI=1/C1275-51-4 8876C1CC2CCC1C2 BICYCLO(2.UMRZSTCP 87.5 InChI=1/C7279-23-2 8878

Merck Index (2C1CN2CCN1CC2 1,4-DIAZABIMNIMPAH 159 InChI=1/C6280-57-9 8882C1C3CC2CC(CC1C2)C3 TRICYCLO[ ORILYTVJ 205 InChI=1/C1281-23-2 8883C1CCC1 CYCLOBUTPMPVIKIVA -90.6 InChI=1/C4287-23-0 8894C1CCS1 THIACYCL XSROQCDV -73.2 InChI=1/C3287-27-4 8895C1CCCC1 CYCLOPENRGSFGYAA -93.8 InChI=1/C5287-92-3 8896

Look Chem (avc1ncnn1 1H-1,2,4-T NSPMIYGK 120 InChI=1/C2288-88-0 8900c1cccnn1 PYRIDAZINPBMFSQRY -8 InChI=1/C4289-80-5 8902c1ccncn1 PYRIMIDINCZPWVGJYE 22 InChI=1/C4289-95-2 8903c1cnccn1 PYRAZINE KYQCOXFC 55 InChI=1/C4290-37-9 8904c1ncncn1 SYM-TRIAZJIHQDMXY 86 InChI=1/C3290-87-9 8905C1SCSCS1 1,3,5-Trith LORRLQML 220 InChI=1/C3291-21-4 8907C1CCCCCC1 CYCLOHEPDMEGYFMY -8 InChI=1/C7291-64-5 8908C1CCCCCCC1 CYCLOOCTWJTCGQSW 14.8 InChI=1/C8292-64-8 8909C1CCCCCCCCC1 CYCLODECLMGZGXSX 10 InChI=1/C1293-96-9 8910C1CCCCCCCCCCC1 CYCLODODDDTBPAQB 59 InChI=1/C1830-13-7 8911

CRC (2007) C1CCCCCCCCCCC1 CYCLODODDDTBPAQB 60.4 InChI=1/C1294-62-2 8911C1COCCOCCOCCO1 1,4,7,10- XQQZRZQV 16 InChI=1/C8294-93-9 8912ClC2=C(Cl)C3(Cl)C1C(C(Cl)OC1ISOBENZA LRWHHSXT 121 InChI=1/C9297-78-9 8914S=P(Oc1cnccn1)(OCC)OCC THIONAZINIRVDMKJL -1.7 InChI=1/C8297-97-2 8915

CHEM INSPECT CCOP(=S)(S)OCC O,O-DiethyIRDLUHRV -10 InChI=1/C4298-06-6 8917Verschuerne,K CCCCC(COP(O)(=O)OCC(CC)CBIS(2-ETH SEGLCEQV -50 InChI=1/C1298-07-7 8918

CN3CCc2cc5OCOc5c1c4c(O)cBulbocapniLODGIKWN 199.5 InChI=1/C1298-45-3 8919ALDRICH (2000CC(N)Cc2cnc1ccccc12 Indopan QSQQQURB 99 InChI=1/C1299-26-3 8930

Clc1cc(OP(=S)(OC)OC)c(Cl)cc RONNEL JHJOOSLF 41 InChI=1/C8299-84-3 8939Clc1cc(Cl)ccc1OP(=S)(NC(C)CDMPA PJFGPJQB 51.4 InChI=1/C1299-85-4 8940Clc1cc(ccc1OP(=O)(NC)OC)C(CRUFOMATBOFHKBLZO 60 InChI=1/C1299-86-5 8941C=CCc1ccccc1 ALLYLBENZHJWLCRVI -40 InChI=1/C9300-57-2 8950

NN HYDRAZIN OAKJQQAX 2 InChI=1/H 302-01-2 8960Merck Index (2OC(C(=O)OCCN(CC)CC)(c1ccccBenactyzinIVQOFBKH 51 InChI=1/C2302-40-9 8966

N#CC(CCN1CCC(CC1)(C(N)=O)PIRITRAMIIHEHEFLXQ 149.5 InChI=1/C2302-41-0 8967O=P(NC(=O)OCC)(N1CC1)N2 Uredepa SPDZFJLQF 89 InChI=1/C7302-49-8 8968C#CC(C)(CC)OC(=O)N MEPARFYNGXCDLJXP 55.8 InChI=1/C7302-66-9 8969

LIDE, DR ET AL.O=[N+]([O-])c1c(C)c(cc(C(C)CPhenol, 3-mXBCVBHKJ 55.5 InChI=1/C1303-21-9 8975LIDE, DR ET AL.OC(=O)c2cccc(c1ccccc1)c2O 3-PhenylsalZJWUEJOP 186.5 InChI=1/C1304-06-3 8983CRC (2008) O=C(O)C(S)C(S)C(O)=O Succimer ACTRVOBW 193 InChI=1/C4304-55-2 8988

Oc1ccc(cc1OC)C(=O)N(CC)CCBENZAMIDEBQJODPIM 95 InChI=1/C1304-84-7 8996ALDRICH (2000NNc1cc(Cl)ccc1Cl Hydrazine, LZKWWERB 102.5 InChI=1/C6305-15-7 8998

O=C(O)C(NC(=O)CCN)Cc1cncL-HistidineCQOVPNPJ 260 InChI=1/C9305-84-0 9001Ic1cc(cc(I)c1O)[N+]([O-])=O Phenol, 2,6UVGTXNPV 157 InChI=1/C6305-85-1 9002CC(C)(C)C(=O)NNCc1ccccc1 Pivalylben FWWDFDMC 68.5 InChI=1/C1306-19-4 9007ClC(Cl)C(F)(F)F 1,1,1-TRI OHMHBGPW -107 InChI=1/C2306-83-2 9016

MSDS FC(F)(C(F)(F)C(F)(F)F)C(F)(F)COctane, ocYVBBRRAL -23.2 InChI=1/C8307-34-6 9018FC(F)(OC(F)(F)C(F)(F)C(F)(F)C(PerfluorobuLOJJTTDN -100 InChI=1/C8308-48-5 9021[O-][N+](=O)c1ccc(OP(=O)(O PARAOXONWYMSBXTX 300 InChI=1/C1311-45-5 9026

LIDE, DR ET AL.Fc1ccc(cc1[N+]([O-])=O)S(=O)Difluorodi KHAWDEWN 193.5 InChI=1/C1312-30-1 9028CCC(C)N1C(=O)C(Br)=C(C)NC BROMACILCTSLUCND 158 InChI=1/C9314-40-9 9040O=C1NC(C)=C(Br)C(=O)N1C(CISOCIL PSYBGEAD 158.5 InChI=1/C8314-42-1 9041O=C(Oc1cc(C)c(c(C)c1)N(C)C MEXACARBYNEVBPNZ 85 InChI=1/C1315-18-4 9043OCCN1CCN(CC1)CCCN3c4ccccOpipramolYNZFUWZU 100.5 InChI=1/C2315-72-0 9046

LIDE,DR ET AL.OCCN1CCN(CC1)CCCN3c4ccccOpipramol YNZFUWZU 229 InChI=1/C2909-39-7 9046LIDE, DR ET AL.CN(C)CCN3c1ccccc1N(C)c2ccDibenzepinQPGGEKPR 237 InChI=1/C1315-80-0 9048

COc4cc5CCNC(CC1CC2c3cc(O6',7',10, AUVVAXYIE 74 InChI=1/C2483-18-1 9055FC(F)(F)c1ccc(Cl)cc1Cl 2,4-DICHL KALSHRGE -26 InChI=1/C7320-60-5 9071Oc1c(cc(Cl)cc1Cl)C(=O)O Benzoic aciCNJGWCQE 220.5 InChI=1/C7320-72-9 9073Oc1ccc(Cl)cc1C(=O)O 5-CHLOROSNKBASRXW 171.5 InChI=1/C7321-14-2 9075Fc2cccc1ccccc12 1-FLUORO CWLKTJOTW -9 InChI=1/C1321-38-0 9078O=P(OCCCl)(OCCCl)Oc1ccc2c(Haloxon KULDXINY 91 InChI=1/C1321-55-1 9082O=C(C)Oc1cc(ccc1C(=O)O)C(FTriflusal RMWVZGDJ 121 InChI=1/C1322-79-2 9086Fc1ccc(cc1)c2ccccc2 4-FLUOROBRUYZJEIKQ 74.2 InChI=1/C1324-74-3 9089OC(CNc1ccccn1)c2ccccc2 PhenyramiZEAJXCPGH 83.5 InChI=1/C1553-69-5 9098CCCCC(N)C(=O)O A-AMINOCALRQKBLKV 298.5 InChI=1/C6327-57-1 9103Clc1ccc(cc1Cl)C(F)(F)F 3,4-DICHL XILPLWOG -12.5 InChI=1/C7328-84-7 9109

CRC (2007) O=[N+]([O-])c1ccc(cc1O)[N+]2,5-DINIT UWEZBKLL 108 InChI=1/C6329-71-5 9120Aldrich (1998) O=C(N)c1cnc(N)cc1 6-AminonicZLWYEPMD 246.5 InChI=1/C6329-89-5 9128

Clc1ccc(NC(=O)N(C)OC)cc1ClLINURON XKJMBINC 93 InChI=1/C9330-55-2 9130CCCCCCCCCCF 1-FLUORO LHLRHWJT -35 InChI=1/C1334-56-5 9168O=C(O)CCCCCCCCCF 10-Fluoro- LXJHQFGN 49 InChI=1/C1334-59-8 9169FCCCCCCCCCCO 10-Fluoro- MEGBNFNB 22 InChI=1/C1334-64-5 9173C=N#N DIAZOMETYXHKONLO -145 InChI=1/C 334-88-3 9176FC(F)(C(F)(F)C(F)(F)F)C(F)(F)CPERFLUORLGUZHROD -78 InChI=1/C7335-57-9 9179

CRC (2007) FC(F)(C(F)(F)C(=O)O)C(F)(F)C(FPerfluorooSNGREZUH 54.3 InChI=1/C8335-67-1 9180Nc1ccc(cc1)S(=O)(=O)NC(=O CARBUTAMVDTNNGKX 144.5 InChI=1/C1339-43-5 9189

O=S(=O)(Nc1ncc(cn1)OCCOC)Glymidine QFWPJPIVL 153 InChI=1/C1339-44-6 9190Clc1ccccc1N3C(C)=Nc2ccccc MecloqualSFITWQDB 127 InChI=1/C1340-57-8 9192

LIDE,DR ET AL.O=C(c1ccc(F)cc1)c2ccc(F)cc24,4'-Diflu LSQARZAL 103.5 InChI=1/C1345-92-6 9206Fc1ccccc1N 2-FLUOROAFTZQXOJYP -34.6 InChI=1/C6348-54-9 9208Fc1ccc(cc1)S(=O)(Cl)=O BenzenesulfBFXHJFKK 30 InChI=1/C6349-88-2 9212FCc1ccccc1 BENZYL FL MBXXQYJB -35 InChI=1/C7350-50-5 9215O=C(C)Nc1cccc(F)c1 3-FLUOROAAQLLDCFU 83 InChI=1/C8351-28-0 9218O=C(C)Nc1cc(ccc1)C(F)(F)F M-(TRIFLUHNIPNANL 104.5 InChI=1/C9351-36-0 9219O=C(C)Nc1ccc(F)cc1 4-FLUOROAJHEFOJNP 154 InChI=1/C8351-83-7 9225Fc1ccc(Cl)cc1 P-CHLORORJCGZNCC -26.8 InChI=1/C6352-33-0 9228CCSCC DIETHYLSULJSQFQKUN -103.9 InChI=1/C4352-93-2 9233O=C(O)CCCCCCCF 8-Fluoro-ocSAEPUDOY 35 InChI=1/C8353-25-3 9239CCF FLUOROETUHCBBWUQ -143.2 InChI=1/C 353-36-6 9243FC(F)=O CARBONIC IYRWEQXV -111.2 InChI=1/CF353-50-4 9246BrC(Cl)(Cl)F METHANE,ARBYBCHK -106 InChI=1/CB353-58-2 9247BrC(Cl)(F)F BROMOCHLMEXUFEQD -159.5 InChI=1/CB353-59-3 9248ClC(F)(F)C(Cl)F Ethane, 1,2YMRMDGSN -78 InChI=1/C2354-23-4 9254FC(F)C(Cl)(F)F ETHANE, 1JQZFYIGA -117 InChI=1/C2354-25-6 9255FC(F)C(F)(F)F 1,1,1,2,2 GTLACDSX -103 InChI=1/C2354-33-6 9256BrC(F)(F)C(Br)(Cl)F 1,2-dibromOVZATIUQX 50 InChI=1/C2354-51-8 9257ClC(Cl)(Cl)C(F)(F)F 1,1,1-TRI BOSAWIQFT 14.2 InChI=1/C2354-58-5 9258FC1(F)C(F)(F)C(F)(C(F)(F)C(F)(PERFLUORQIROQPWS -44.7 InChI=1/C7355-02-2 9260

CRC (2007) FC(F)(C(F)(F)C(F)(F)F)C(F)(F)CPERFLUORZJIJAJXFL -88.2 InChI=1/C6355-42-0 9262Lide, DR ET AL.FC1(F)C(F)(F)C(Cl)(F)C1(Cl)F 1,2-DichlorLMHAGAHD -24.2 InChI=1/C4356-18-3 9266

CC(CN1CCOCC1)C(c2ccccc2)(DEXTROMOINUNXTSAA 182 InChI=1/C2357-56-2 9269O=C(N)OC1(CCCCC1)CC#C HexapropyMIRHIEAG 99 InChI=1/C1358-52-1 9280Cl\C=C(/F)F CHLORO-1,HTHNTJCV -138.5 InChI=1/C2359-10-4 9283

Look Chem F\C=C(/F)F TRIFLUOR MIZLGWKE -78 InChI=1/C2359-11-5 9284FC(F)C(F)F 1,1,2,2-Te WXGNWUVN -89 InChI=1/C2359-35-3 9286O=C2C=CC(=O)C=C2c1ccccc12,5-CYCLO RLQZIECDM 114 InChI=1/C1363-03-1 9307OC(c1ccc(O)cc1)C(C)NC p-Hydroxy OXFGTKPP 153 InChI=1/C1365-26-4 9320CN(C)c1ccc(cc1)c2ccc(cc2)N(N,N,N',N' YRNWIFYIF 194 InChI=1/C1366-29-0 9321Fc1ccccc1F 1,2-DIFLU GOYDNIKZ -34 InChI=1/C6367-11-3 9325Fc1ccccc1O O-FLUOROHFHFGHLX 16.1 InChI=1/C6367-12-4 9326Nc1cc(Cl)c(F)cc1 3-CHLORO-YSEMCVGM 45.5 InChI=1/C6367-21-5 9327Fc1ccc(N)c(F)c1 2,4-DIFLU CEPCPXLLF -7.5 InChI=1/C6367-25-9 9328

CRC F[Si](F)(F)c1ccccc1 TrifluorophKGWNTHHP -18 InChI=1/C6368-47-8 9330FC(F)(F)c1nc(nc(n1)C(F)(F)F)C2,4,6-Tris- LSGBKABSS -24.8 InChI=1/C6368-66-1 9333FC(F)(F)c1cc(ccc1Cl)NC(=O)NCloflucarb ZFSXZJXLK 214.5 InChI=1/C1369-77-7 9337Fc1ccc(N)cc1 4-FLUOROAKRZCOLNO -0.8 InChI=1/C6371-40-4 9349Fc1ccc(O)cc1 P-FLUORO RHMPLDJJ 48 InChI=1/C6371-41-5 9350FCCO 2-FLUORO GGDYAKVU -26.4 InChI=1/C2371-62-0 9354

SPENCER,EY (1FP(=O)(NC(C)C)NC(C)C ISOPESTOXUOSHUBFB 65 InChI=1/C6371-86-8 9355Merck Index (2N#CCC(=O)O CYANOACETMLIREBYI 66 InChI=1/C3372-09-8 9357

Fc1cccc(O)c1 M-FLUOROSJTBRFHB 13.7 InChI=1/C6372-20-3 9360

CCCCCCF 1-FLUORO OFERIJCS -103 InChI=1/C6373-14-8 9377FC(F)(F)C(Cl)(Cl)F 1,1-DICHL BAMUEXIP -56.6 InChI=1/C2374-07-2 9392FC(F)(C(F)(F)C(=O)O)C(F)(F)F Butanoic acYPJUNDFVD -17.5 InChI=1/C4375-22-4 9394

ALDRICH (2000FC(F)(C(F)(F)C(F)(F)C(F)(F)C(F1-Nonanol, MSXVQELL 56 InChI=1/C9376-18-1 9396O=C3CCC2C1CCC4=CC(=O)CCAndrenost RZRPTBIG 222 InChI=1/C1382-45-6 9408O=[N+]([O-])c1ccccc1C(F)(F)F1-NO2 2-C NDZJSUCU 32.5 InChI=1/C7384-22-5 9412OC(=O)c1c(F)cccc1F BENZOIC ACONOTYLMN 159 InChI=1/C7385-00-2 9413CC(Cc1ccccc1)NCCC(c2ccccc2PrenylaminIFFPICMES 36.5 InChI=1/C2390-64-7 9418

Merck Index (2CC(Cc1ccccc1)NCCC(c2ccccc2PrenylaminIFFPICMES 141 InChI=1/C269-43-2 9418CRC HandbookO=C(Cl)c1ccccc1F Benzoyl chlRAAGZOYM 4 InChI=1/C7393-52-2 9425

O=[N+]([O-])c1cc(cc([N+]([O-1,3-DINO2 HFHAVERN 57 InChI=1/C7393-75-9 9426FC(F)(F)c1cc(Br)ccc1 Benzene, 1NNMBNYHM 1 InChI=1/C7401-78-5 9434O=[N+]([O-])c1ccc(cc1)C(F)(FBENZENE, XKYLCLMY 39 InChI=1/C7402-54-0 9438Fc1cc(ccc1O)[N+]([O-])=O 2-FLUORO-ORPHLVJB 121 InChI=1/C6403-19-0 9442Fc1ccc(CC(=O)O)cc1 P-FLUOROPMGKPFALC 86 InChI=1/C8405-50-5 9454C/C(C)=C\CCC(C)=O 5-Hepten-2UHEPJGULS -67.1 InChI=1/C8110-93-0 9478

CRC (2008) N#CN CYANAMIDXZMCDFZZ 45.56 InChI=1/C 420-04-2 9480CC(C)F 2-FluoroprPRNZBCYB 133.4 InChI=1/C3420-26-8 9483CC(F)(F)F 1,1,1-TRI UJPMYEOU -111.3 InChI=1/C2420-46-2 9484FS(=O)(=O)OC Methyl FluMBXNQZHI -95 InChI=1/CH421-20-5 9486FCC(F)F 1,1,2-TRI WGZYQOSE -84 InChI=1/C2430-66-0 9506

BEYERLEIN,AL EFC(F)(F)C(Cl)C(F)(F)F HCFC 226 BKWAVXQS -119.6 InChI=1/C3431-87-8 9510FC(F)(F)c1ccccc1C(=O)O Benzoic aciFBRJYBGL 111 InChI=1/C8433-97-6 9515O=C(c1ccccc1)C(F)(F)F TRIFLUOR KZJRKRQS -40 InChI=1/C8434-45-7 9521Fc1c(c(F)c(F)c(F)c1F)C(F)(F)F OCTAFLUOUSPWUOFN -65.6 InChI=1/C7434-64-0 9522OCCN(C)CC(O)Cn2cnc1c2C(=Xanthinol DSFGXPJY 180 InChI=1/C1437-74-1 9526

ALDRICH (2000Fc1c(CO)c(F)c(F)c(F)c1F 2,3,4,5,6-PPGJYYCIOY 37.5 InChI=1/C7440-60-8 9535O=C(O)C1CSCN1 4-ThiazolidDZLNHFMR 196.5 InChI=1/C4444-27-9 9546OC(=O)c1ccccc1F 2-FLUOROBNSTREUWF 126.5 InChI=1/C7445-29-4 9547O=[N+]([O-])c1ccc(F)cc1O 5-FLUORO-QQURWFRN 36 InChI=1/C6446-36-6 9549c1ccc2CCC=Cc2c1 1,2-DIHYD KEIFWROA -8 InChI=1/C1447-53-0 9550O=C(CF)c1ccccc1 FluoromethYOMBUJAF 29 InChI=1/C8450-95-3 9553O=C(Cc1ccccc1)c2ccccc2 2-PHENYL OTKCEEWU 60 InChI=1/C1451-40-1 9554

ALDRICH (2000Cc1ccc(N)cc1F BenzenaminMGRHBBRS 31 InChI=1/C7452-77-7 9563Cc1cc(O)c(O)cc1 1,2-BENZE ZBCATMYQ 65 InChI=1/C7452-86-8 9564FCC(=O)OC FLUORESSIRJBYSQHLL -35 InChI=1/C3453-18-9 9565FC(F)(F)c1cccc(c1)C(=O)O M-TRIFLUOFQXQBFUU 105.5 InChI=1/C8454-92-2 9569FC(F)(F)c1ccc(N)cc1 P-TRIFLUOODGIMMLD 38 InChI=1/C7455-14-1 9570Cc1ccc(cc1)S(=O)(F)=O P-FLUORO IZZYABAD 41.5 InChI=1/C7455-16-3 9571FC(F)(F)c1ccc(cc1)C(=O)O P-CF3 BEN SWKPKONE 219.5 InChI=1/C8455-24-3 9572OC(=O)c1cc(F)ccc1 M-FLUOROBMXNBDFWN 124 InChI=1/C7455-38-9 9574OC(=O)c1ccc(F)cc1 P-FLUOROBBBYDXOIZ 185 InChI=1/C7456-22-4 9579Fc1cccc(OC)c1 M-FLUOROMFJNOXOA -35 InChI=1/C7456-49-5 9581CCCC1CCCCN1 2-PROPYLPNDNUANOU -2 InChI=1/C8458-88-8 9591C#CC#C DIACETYLELLCSWKVO -36.4 InChI=1/C4460-12-8 9603

CCCF 1-FLUORO JRHNUZCX -159 InChI=1/C3460-13-9 9604CRC Handbook N#CC#N CYANOGENJMANVNJQ -27.9 InChI=1/C2460-19-5 9605

ClCCC(F)(F)F Propane, 3-ZPIFKCVYZ -106.5 InChI=1/C3460-35-5 9606N#C\N=C(/N)N 2-CYANOGQGBSISYH 211 InChI=1/C2461-58-5 9611O=C1NC(=O)CN1 HYDANTOIWJRBRSLF 220 InChI=1/C3461-72-3 9612

LIDE, DR ET AL.Clc1ccc(CC(C)(C)N)cc1 ChlorphentZCKAMNXU 52.5 InChI=1/C1151-06-4 9613Fc1ccccc1 FLUOROBEPYLWMHQQ -42.2 InChI=1/C6462-06-6 9614CCCCCCC(=O)CCCCCC TRIDECAN-ULIAPOFM 33 InChI=1/C1462-18-0 9621CCOCOCC DIETHOXY KLKFAASO -66.5 InChI=1/C5462-95-3 9630CCCCCCCCCF 1-FLUORO ITPAUTYYX 1 InChI=1/C9463-18-3 9634C=C=C 1,2-PROPAIYABWNGZ -136.2 InChI=1/C3463-49-0 9642C=C=O KETENE CCGKOQOJ -151 InChI=1/C 463-51-4 9643

CRC Handbook O=C=S CARBONYL JJWKPURA -138.8 InChI=1/CO463-58-1 9644CRC HandbookCC(C)(C)C 2,2-DIMETCRSOQBOW -16.4 InChI=1/C5463-82-1 9646

CC(C)C(C)(C)C 2,2,3-TRI ZISSAWUM -25 InChI=1/C7464-06-2 9649CRC Handbook CC(C)(C)C(C)O 3,3-DIMETDFOXKPDF 4.8 InChI=1/C6464-07-3 9650

CC(C)(C)C(C)O 2-Butanol, DFOXKPDF 5.6 InChI=1/C620281-91-8 9650BrC(Br)(Br)[N+]([O-])=O Methane, tQQZIUHOK 10 InChI=1/CB464-10-8 9651CC2(C)C1C=CC2(C)CC1 BICYCLO[2.KUKRLSJNT 113 InChI=1/C1464-17-5 9652CC12CCC(CC1Cl)C2(C)C BICYCLO[2.XXZAOMJC 132 InChI=1/C1464-41-5 9653

MERCK INDEX CCC(=O)C(C(C)CN(C)C)(c1ccc IsomethadoIFKPLJWIE 231.5 InChI=1/C263814-06-2 9675CCC(=O)C(CC(C)N1CCOCC1)(cPhenadoxoLOXCOAXR 75.5 InChI=1/C2467-84-5 9686O=C(CC)C1(CCN(C)CC1)c2cccKetobemidALFGKMXH 156.5 InChI=1/C1469-79-4 9697CC(C)C12CCC(C)(CC1)O2 1,4-CINEOLRFFOTVCVT 1 InChI=1/C1470-67-7 9702

SAX C#CC(=O)O 2-PropynoiUORVCLMR 18 InChI=1/C3471-25-0 9706O=C(O)C1(C)CCCC2(C)C3CCC(Pimaric aciMHVJRKBZ 218.5 InChI=1/C2127-27-5 9712CC2(C)C1CC2C(C)CC1 2,6,6-TrimeXOKSLPVR -53 InChI=1/C14795-86-2 9724

CRC HandbookCC2(C)C1CC2C(C)CC1 PINANE XOKSLPVR -50 InChI=1/C1473-55-2 9724Fc1ccc(cc1)C(c2ccc(F)cc2)C(ClDFDT CLSXNIPA 44.5 InChI=1/C1475-26-3 9733Oc1ccc(O)c2C(=O)C=CC(=O)c1,4-NAPHTRQNVIKXO 232 InChI=1/C1475-38-7 9735OC3Cc5cc6OCOc6cc5C2N(C) CHELIDONIGHKISGDRQ 135.5 InChI=1/C2476-32-4 9741CC(=O)NC2CCc3cc(OC)c(OC)cCOLCHICEIPRGILOMA 178.5 InChI=1/C2477-27-0 9750O=C(c1c(O)cc(cc1O)OC)c2cccCotoin HNJZOHHIX 130.5 InChI=1/C1479-21-0 9768c2c1c5ccccc5ccc1c4CCc3ccc CHOLANTHKVFJBIQW 174 InChI=1/C2479-23-2 9769CN([N+]([O-])=O)c1c(cc(cc1[NTETRYL AGUIVNYEY 131.5 InChI=1/C7479-45-8 9770CCN(CC)CCNc1ccc(C)c2Sc3ccLucanthonFBQPGGIH 64.5 InChI=1/C2479-50-5 9772Cc1cc(C)cc(C)c1C(O)=O 2,4,6-TrimeFFFIRKXTF 154 InChI=1/C1480-63-7 9779O=C1NC(=O)NC(=O)C1[N+]([O2,4,6(1H,3HABICJYZKI 180.5 InChI=1/C4480-68-2 9780O=C1NCc2ccccc12 2,3-DIHYD PXZQEOJJU 151 InChI=1/C8480-91-1 9784O=C1C=C[C@]2(C)CC[C@H]3SANTONINXJHDMGJUR 175 InChI=1/C1481-06-1 9786CC(C)CCCC(C)C2CCC3C4CCC1CHOLESTANEXIIAYQZJ 72 InChI=1/C2481-20-9 9787CC(C)CCCC(C)C2CCC3C4CCC1CHOLESTANEXIIAYQZJ 80 InChI=1/C2481-21-0 9787Oc1cccc2c1C(=O)C=C(C)C2= 1,4-NaphthVCMMXZQD 78.5 InChI=1/C1481-42-5 9790Oc3cccc2C(=O)c1cc(cc(O)c1CALOE-EMOYDQWDHRM 223.5 InChI=1/C1481-72-1 9792Oc3cccc2C(=O)c1cc(C)cc(O)cCHRYSOPHLQGUBLBA 196 InChI=1/C1481-74-3 9793

Oc1cc(C)c(O)c2ccccc12 Menadiol ZJTLZYDQ 169 InChI=1/C1481-85-6 9794OC(=O)c2ccccc2c1ccccc1C(= 1,1'-BIPHE GWZCCUDJ 233.5 InChI=1/C1482-05-3 9795CC(C)c2cc3ccc1c(cccc1C)c3c PHENANTHRNXLOLUFN 101 InChI=1/C1483-65-8 9805C/C(C)=C\Cc1c(ccc2C=CC(=O Osthole MBRLOUHO 83.5 InChI=1/C1484-12-8 9811C=CCc1cc2OCOc2c(OC)c1OC Apiole (DillLIKYNOPXH 29.5 InChI=1/C1484-31-1 9814c1ccc(cc1)c2nc(c(n2)c3ccccc 1H-ImidazolRNIPJYFZG 275 InChI=1/C2484-47-9 9815O=C(Oc1c(cc(cc1[N+]([O-])=OBINAPACRYZRDUSMYW 70 InChI=1/C1485-31-4 9817O=C3c1ccccc1c2ccccc23 FLUORENOYLQWCDOC 84 InChI=1/C1486-25-9 9824

ALDRICH (2000O=C(O)c1ccnc2ccccc12 Quinoline-4VQMSRURE 254.5 InChI=1/C1486-74-8 9826c3cccc4cccc(/N=N/c2cccc1ccDi-naphthaICIDZHMCY 190 InChI=1/C2487-10-5 9829O=C1NC(=O)Nc2nccnc12 Lumazine UYEUUXMD 348.5 InChI=1/C6487-21-8 9832O=C2CC(Oc1ccccc12)c3cccccFLAVANONZONYXWQD 77 InChI=1/C1487-26-3 9833O=C(NC(C)=O)c1ccccc1O SalacetamiJZWFDVDE 148 InChI=1/C9487-48-9 9834O=C(NCC(=O)O)c1ccccc1O GLYCINE, ONJSZLXSE 168 InChI=1/C9487-54-7 9835O=Cc2cnc1ccccc12 1H-INDOLEOLNJUISK 196.5 InChI=1/C9487-89-8 9838CN(C)CCc2cnc1ccc(O)cc12 Bufotenin VTTONGPR 146.5 InChI=1/C1487-93-4 9839Cc1ccc(C)c(C)c1C 1,2,3,4-T UOHMMEJU -6.2 InChI=1/C1488-23-3 9844OC(C(O)CN)C(O)C(O)CO GlucamineSDOFMBGM 127 InChI=1/C6488-43-7 9847O=C(O)c1ccoc1 FURAN-3-CIHCCAYCG 122.5 InChI=1/C5488-93-7 9849O=[N+]([O-])c1cc(cc([N+]([O-2,4,6-Trini IAHOUQOW 193.5 InChI=1/C6489-98-5 9852O=C1C(CC(C)C)=NC=C(C(C)C Aspergillic IUZCDJYH 98 InChI=1/C1490-02-8 9853OC(=O)c1cnccc1C(=O)O CINCHOMEMUYSADWC 256 InChI=1/C7490-11-9 9854COc1cc(OC)c(cc1OC)C(=O)O Benzoic aciKVZUCOGW 145 InChI=1/C1490-64-2 9856O=C(OC)c3ccccc3OC2OC(COCMONOTROPVHUNCYDA 180 InChI=1/C1490-67-5 9858CC(C)C1=CC(=O)C(C)=CC1=O 2,5-CYCLO KEQHJBNS 45.5 InChI=1/C1490-91-5 9861O=C2C=COc1ccccc12 4H-1-BENZOTAFHZMP 59 InChI=1/C9491-38-3 9866Oc2c3c(cc1cccc(O)c12)cc(C) CHRYSAROJBGKVNQF 203.7 InChI=1/C1491-59-8 9867O=C1c3ccccc3Sc2ccccc12 9H-THIOXAYRHRIQCW 209 InChI=1/C1492-22-8 9873CN(C)c1ccc(cc1)C(=N)c2ccc(cAURAMINEJPIYZTWM 136 InChI=1/C1492-80-8 9876CN(C)c2ccc(/N=N/c1ccccc1C(2-((4-(DI CEQFOVLG 183 InChI=1/C1493-52-7 9881ClCCN(CCCl)c1ccc2ccccc2c1 CHLORONAXCDXSSFO 55 InChI=1/C1494-03-1 9885

ALDRICH (2000c1cc2Nc3ccccc3CCc2cc1 5H-Dibenz(ZSMRRZON 106.5 InChI=1/C1494-19-9 9886O=C(NO)c1ccccc1 BENZOHYDVDEUYMSG 128 InChI=1/C7495-18-1 9891O=C(CCC)c1ccccc1 1-BUTANONFFSAXUULY 12 InChI=1/C1495-40-9 9893[O-]\[N+](=N/c1ccccc1)c2cccAzoxybenzGAUZCKBS 36 InChI=1/C1495-48-7 9894OCc1ccc2OCOc2c1 1,3-BENZOBHUIUXNA 58 InChI=1/C8495-76-1 9900C1CCC2CCCCC12 Bicyclo[4. BNRNAKTV -53 InChI=1/C9496-10-6 9902c1cccc2CCCc12 INDANE PQNFLJBB -51.4 InChI=1/C9496-11-7 9903Cc1cc(N)c(N)cc1 3,4-DIAMI DGRGLKZM 89.5 InChI=1/C7496-72-0 9908Oc1cc(O)c(C)cc1 1,3-BenzenFNYDIAAM 106 InChI=1/C7496-73-1 9909Cc1cc(S)c(S)cc1 1,2-BenzeneNIAAGQAE 29 InChI=1/C7496-74-2 9910Cc1cc(C)c(O)cc1C 2,4,5-TRI VXSCPERJ 72 InChI=1/C9496-78-6 9911O=C1C=CCO1 2(5H)-FUR VIHAEDVK 4.5 InChI=1/C4497-23-4 9917O=C(O)CC(C)C(=O)O ButanedioicWXUAQHNM 115 InChI=1/C5636-60-2 9922O=C(O)CC(C)C(=O)O METHYLSUCWXUAQHNM 117.5 InChI=1/C5498-21-5 9922

C1=CC2CCC1C2 BICYCLO[2.JFNLZVQO 45 InChI=1/C7498-66-8 9925Cc1cc(C)cc(c1)C(O)=O Benzoic aciUMVOQQDN 171.1 InChI=1/C9499-06-9 9929OC(=O)c1cc(ccn1)C(=O)O 2,4-PYRID MJIVRKPEX 249 InChI=1/C7499-80-9 9938OC(=O)c1cc(cnc1)C(=O)O DINICOTINIMPFLRYZE 324 InChI=1/C7499-81-0 9939O=[N+]([O-])c1ccc(cc1Cl)OP( 3-CHLORO-NZNRRXXE 21 InChI=1/C8500-28-7 9944CC2CC(OC(=O)c1ccccc1)CC(CBETA-EUCAZYHGIAPH 70.5 InChI=1/C1500-34-5 9945Clc1ccc(cc1)Nc2ncnc(N)n2 2-AMINO-4YRZQHIVOI 233.5 InChI=1/C9500-42-5 9946O=C(Nc1ccccc1)C(=O)O ACETIC AC PQJZHMCW 150 InChI=1/C8500-72-1 9950

LIDE,DR ET AL.O=C2C=C/C(=N\c1ccc(O)cc1)IndophenoRSAZYXZUJ 160 InChI=1/C1500-85-6 9951COc1cc(O)cc(OC)c1 3,5-DIMETXQDNFAMO 37 InChI=1/C8500-99-2 9954C(#Cc1ccccc1)c2ccccc2 DIPHENYLAJRXXLCKW 62.5 InChI=1/C1501-65-5 9961ClCCC(=O)NCc1ccccc1 N-benzyl-3JPYQFYIEO 94 InChI=1/C1501-68-8 9962Oc1ccc(CCO)cc1 2-(P-HYDR YCCILVSKP 90 InChI=1/C8501-94-0 9964Oc1ccc(CCC(=O)O)cc1 P-HYDROXYNMHMNPHR 130.8 InChI=1/C9501-97-3 9965OC1CCCCCC1 CYCLOHEPQCRFMSUK 2 InChI=1/C7502-41-0 9970O=C1CCCCCO1 E-CAPROL PAPBSGBW -18 InChI=1/C6502-44-3 9972

LIDE,DR ET AL.O=C(O)CC(C)CC\C=C(/C)C 6-Octenoic GJWSUKYX 257 InChI=1/C1502-47-6 9973O=C1CCCCCCC1 CYCLOOCTIIRFCWAN 29 InChI=1/C8502-49-8 9974CCOC(=S)SSC(=S)OCC BIS(ETHYL FVIGODVH 30 InChI=1/C6502-55-6 9975

CRC HandbookCCCCC(=O)CCCC 5-NONANOWSGCRAOT -3.8 InChI=1/C9502-56-7 9976CC#CC 2-BUTYNE XNMQEEKY -32.3 InChI=1/C4503-17-3 9990C\N=N\C DIAZENE, JCCAVOLD -78 InChI=1/C2503-28-6 9992C1CCO1 TRIMETHYLAHHWIHXE -97 InChI=1/C3503-30-0 9994O=S(=O)(O)CS(=O)(=O)O METHANEDIOPUAWDUY 98 InChI=1/CH503-40-2 9998CC(C)CC(=O)O ISOVALERI GWYFCOCP -29.3 InChI=1/C5503-74-2 10001O=C1CCCC(=O)C1 1,3-Cycloh HJSLFCCW 105.5 InChI=1/C6504-02-9 10004C\C(C)=C/C(=O)/C=C(/C)C PHORONE MTZWHHIR 28 InChI=1/C9504-20-1 10007Nc1ccccn1 2-AMINOPYICSNLGPS 57.5 InChI=1/C5504-29-0 10008CCCCCCCCCCCCCCCCCC(=O) 18-PentatrDMCJFWXG 89 InChI=1/C3504-53-0 10009CCCCCCCCCC(=O)CCCCCCCCC10-NonadeYUPOCHDB 65.5 InChI=1/C1504-57-4 10010C1CCOCO1 1,3-DIOXA VDFVNEFV -45 InChI=1/C4505-22-6 10018C1CCSCS1 1,3-DITHIAWQADWIOX 54 InChI=1/C4505-23-7 10019C1CSCCS1 1,4-DITHIALOZWAPSE 112.3 InChI=1/C4505-29-3 10020CS(=O)(=O)CCC\N=C=S Propane, 1-ZSJGCHNC 47.5 InChI=1/C5505-34-0 10022O=C(O)CCCCCCC(=O)O SUBERIC ATYFQFVWC 144 InChI=1/C8505-48-6 10025O=C(O)CCCCCCCCCCCC(=O)OTridecanediDXNCZXXF 111 InChI=1/C1505-52-2 10026O=C(O)CCCCCCCCCCCCCCCC HEPTADECAKEMQGTRY 61.3 InChI=1/C1506-12-7 10033O=C(O)CCCCCCCCCCCCCCCOHexadecanoUGAGPNKC 98 InChI=1/C1506-13-8 10034O=C(O)CCCCCCCCCCCCCCCC EICOSANOIVKOBVWXK 75.4 InChI=1/C2506-30-9 10035O=C(O)CCCCCCCCCCCCCCCC HEXACOSANXMHIUKTW 88.5 InChI=1/C2506-46-7 10037CCCCCCCCCCCCCCCCCCCCCCNSC-40731UTOPWMOL 90.9 InChI=1/C2506-48-9 10038CCCCCCCCCCCCCCCCCCCCCCTRIACONTAVHOCUJPB 93.6 InChI=1/C3506-50-3 10039

Lide CCCCCCCCCCCCCCCCCCCCCC1-TetracosTYWMIZZB 77 InChI=1/C2506-51-4 10040CRC Handbook IC#N Iodine cya WPBXOELO 146.7 InChI=1/CI 506-78-5 10046

BrC(C)=O ACETYL BRFXXACINH -96 InChI=1/C 506-96-7 10050

Merck 2001 BrC(C)(C)C 2-BROMO-RKSOPLXZ -16.2 InChI=1/C4507-19-7 10053CC(C)(C)Cl T-BUTYL C NBRKLOOS -26 InChI=1/C4507-20-0 10054IC(I)(I)I Methane, tJOHCVVJG 171 InChI=1/CI 507-25-5 10055FC(F)(C(F)(F)C(F)(F)I)C(F)(F)C(Octane, heKWXGJTSJ 20.8 InChI=1/C8507-63-1 10059O=C3C=CC2(CCC12C=CC(=O)Anemonin JLUQTCXCA 158 InChI=1/C1508-44-1 10064CC(C)(C)CC(=O)OCC(=O)C4( HydrocortiFNFPHNZQ 168 InChI=1/C2508-96-3 10073COc1cc2c(cc1)N5C(=O)CC4 2-METHOXZTHVHELP 222 InChI=1/C2509-36-4 10077O=C1NC(=O)NC(=O)C1(CC)C HEPTABARBPAZQYDJGL 174 InChI=1/C1509-86-4 10081

GREEN,FJ (199CN(C)c1ccc(cc1)C(O)(c2cccccMalachite LXHOGEND 113 InChI=1/C2510-13-4 10084CRC (2008) OC(c1ccc(Cl)cc1)(c2ccc(Cl)c CHLOROBENRAPBNVDS 37 InChI=1/C1510-15-6 10085

BrC(CC)(CC)C(N)=O ButanamideACEYAMOA 67 InChI=1/C6511-70-6 10095O=P(OC)(OC)OC TRIMETHYLWVLBCYQI -46 InChI=1/C3512-56-1 10101CC12C=CC(CC1)(OO2)C(C)C Ascaridole MGYMHQJE 3.3 InChI=1/C1512-85-6 10105CCS(=O)(=O)CCO 2-(EthylsulLJNDRJPZY 46 InChI=1/C4513-12-2 10109C\C=C(/C)C 2-METHYL-BKOOMYPC -133.7 InChI=1/C5513-35-9 10113CC(C)CI 1-IODO-2- BTUGGGLM -93 InChI=1/C4513-38-2 10116CC(I)CC 2-IODOBU IQRUSQUY -104 InChI=1/C4513-48-4 10119

Merck Index CC(S)CC 2-BUTANETLOCHFZBW -165 InChI=1/C4513-53-1 10120C=C(C)C(=C)C 2,3-DIMETSDJHPPZK -76 InChI=1/C6513-81-5 10124I/C(I)=C(/I)I Ethene, tetZGQURDGV 187 InChI=1/C2513-92-8 10126Oc1ccc2c3CCC4(C)C(=O)CCC4Equilenin PDRGHUMC 258.5 InChI=1/C1517-09-9 10152O=C(O)C(C)(C)C(CC)c1ccc2cc MethallenesKHLJKRBM 139.5 InChI=1/C1517-18-0 10154Cc1ncc(C)c1CC 1H-PYRROLEZEBBLOXD 0 InChI=1/C8517-22-6 10155[O-][N+](=O)C([N+](=O)[O-])[Methane, trLZGVDNRJ 15 InChI=1/CH517-25-9 10157Oc2cc3CC4(O)COc1c(O)c(O)cHematoxylWZUVPPKB 140 InChI=1/C1517-28-2 10158O=C2Oc1ccccc1C=3OC(C)(CC(CyclocumarZGFASEKB 166 InChI=1/C2518-20-7 10161CN(C)CCn2cnc1c2C(=O)N(C) DimethazaCMKUGKVV 95 InChI=1/C1519-30-2 10167O=[N+]([O-])c1c(O)ccc([N+]( 2,4-DINIT LQCKFXAP 147.5 InChI=1/C6519-44-8 10168c1ccccc1C(c2ccccc2)c3ccccc3TRIPHENY AAAQKTZK 94 InChI=1/C1519-73-3 10169O=C(C)N(c1ccccc1)c2ccccc2 N,N-DIPHEDKLYDESVX 103 InChI=1/C1519-87-9 10170COc1ccc(cc1)C(C(N)=O)N(CC AmbucetamWUSAVCG 134 InChI=1/C1519-88-0 10171O=C(O)CCC(=O)c3ccc4c2cccc1Florantyro QOBAOSCO 208 InChI=1/C2519-95-9 10172O=P(O)(O)Oc1cccc2c1c(cn2) Psilocybin QVDSEJDU 224 InChI=1/C1520-52-5 10178

Merck Index OC1CCN2CC=C(CO)C12 RetronecinHJSJELVD 119.5 InChI=1/C8480-85-3 10180O=C1N(CC)C(=O)OC1(C)C Ethadione SIGSNYAY 76.5 InChI=1/C7520-77-4 10184Oc2nnc(O)c1cccc(N)c12 1,4-Phthal HWYHZTIR 330.5 InChI=1/C8521-31-3 10192COc1cc2c(cc1)nccc2[C@@H HYDROQUILJOQGZAC 172.5 InChI=1/C2522-66-7 10203Oc2ccc(Br)cc2C(=O)C(=O)c1cDibromsalicAAOYLOCW 212.5 InChI=1/C1523-88-6 10212O=C1C(C#N)=C(C=CN1C)OC RICIDINE PETSAYFQ 201.5 InChI=1/C8524-40-3 10216Nc1ccc2c3ccc(N)cc3Cc2c1 2,7-DIAMI SNCJAJRIL 166 InChI=1/C1525-64-4 10229O=C2C=C(Oc1ccccc12)c3ccccFLAVONE VHBFFQKB 100 InChI=1/C1525-82-6 10230OCCc2cnc1ccccc12 1H-Indole-MBBOMCVG 59 InChI=1/C1526-55-6 10235

CRC HandbookCc1cccc(C)c1C 1,2,3-TRI FYGHSUNM -25.4 InChI=1/C9526-73-8 10236CC=1C(=O)C=CC(=O)C=1C 2,5-CYCLO AIACLXRO 55 InChI=1/C8526-86-3 10238Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl PENTACHLKHCZSJXTD 235 InChI=1/C6527-20-8 10243

Cc1cc(C)c(C)c(O)c1C Phenol, 2,3KLAQSPUV 118.5 InChI=1/C1527-35-5 10244Cc1cc(C)c(C)c(C)c1 1,2,3,5-T BFIMMTCN -23.7 InChI=1/C1527-53-7 10245Cc1cc(O)cc(O)c1C 4,5-DimethyRCNCKKACI 136 InChI=1/C8527-55-9 10247Cc1cc(C)c(O)c(C)c1 2,4,6-TRI BPRYUXCV 73 InChI=1/C9527-60-6 10248O=C(O)c1cccs1 THIOPHENEQERYCTSH 129.5 InChI=1/C5527-72-0 10250Cc1ccccc1C(C)C 1-METHYL-WWRCMNKA -71.5 InChI=1/C1527-84-4 10253Cc1ccccc1C(=O)N 2-METHYL XXUNIGZD 147 InChI=1/C8527-85-5 10254Oc1ccc(C(C)=O)c(O)c1O Ethanone, 1XIROXSOO 173 InChI=1/C8528-21-2 10256O=[N+]([O-])c1ccccc1[N+]([OO-DINITROIZUKQUVS 118.5 InChI=1/C6528-29-0 10257OC(=O)c1cc(ccc1C(=O)O)C(= TRIMELLITIARCGXLSV 219 InChI=1/C9528-44-9 10258O=[N+]([O-])c1cc(ccc1[N+]([ 3,4-DINIT OMVRRHJJQ 166 InChI=1/C7528-45-0 10259

Lide, DR ET AL Cc1cc(C)c(C)cc1C(O)=O Benzoic aciQENJZWZW 152.5 InChI=1/C1528-90-5 10263CC(C)C(CC=C)C(=O)NC(N)=O N-(aminocaKSUUMAWC 194 InChI=1/C9528-92-7 10264O=C2CCCc1ccccc12 3,4-DIHYD XHLHPRDB 8 InChI=1/C1529-34-0 10273OCC(C(=O)O)c1ccccc1 TROPIC ACJACRWUWP 118 InChI=1/C9529-64-6 10274OCC(C(=O)O)c1ccccc1 BENZENEACEJACRWUWP 118 InChI=1/C9552-63-6 10274CCN(C(C)=O)c1ccccc1 Acetamide,FSSVIYSW 55 InChI=1/C1529-65-7 10275Oc2c3ccccc3cc1ccccc12 Anthranol AUKRYONW 152 InChI=1/C1529-86-2 10278O=[N+]([O-])c1ccc(cc1)C(O) ChloramphePXKHGMGE 90 InChI=1/C2530-43-8 10283CN(C)c1ccc(cc1)C(=O)c2cccc Methanone,BEUGBYXJ 92.5 InChI=1/C1530-44-9 10284NN(c1ccccc1)c2ccccc2 HYDRAZINE,YHYKLKNN 50.5 InChI=1/C1530-50-7 10286C=C(c1ccccc1)c2ccccc2 1,1-DIPHE ZMYIIHDQ 8.2 InChI=1/C1530-48-3 10287COc1cc(cc(OC)c1O)C(=O)O 4-OH-3,5- JMSVCTWV 207.5 InChI=1/C9530-57-4 10289O=C(C)Oc2ccccc2C(=O)Oc1ccAcetylsalicyDDSFKIFGA 159 InChI=1/C1530-75-6 10292OC1Cc2ccccc2CC1 2-NaphthaleJWQYZECM 15.5 InChI=1/C1530-91-6 10294O=C(CCl)c1ccccc1 2-CHLORO IMACFCSS 56.5 InChI=1/C8532-27-4 10303OC(C#N)c1ccccc1 MandelonitNNICRUQP -10 InChI=1/C8532-28-5 10304O=C(NNc1ccccc1)c2ccccc2 Benzoic acCKLPECFHC 168 InChI=1/C1532-96-7 10319Clc1ccccc1NC(C)=O 2-CHLOROAKNVQTRVK 89 InChI=1/C8533-17-5 10322Ic1ccccc1O 2-IODOPH KQDJTBPA 43 InChI=1/C6533-58-4 10328O=CCC(O)C(O)CO D-2-DeoxyrASJSAQIR 91 InChI=1/C5533-67-5 10330Oc1cc(O)c(O)cc1 1,2,4-TRI GGNQRNBD 140.5 InChI=1/C6533-73-3 10331

CRC Handbook S=C1SCN(C)CN1C DMTT (DA QAYICIQNS 106 InChI=1/C5533-74-4 10332OC1=CC=CC=CC1=O TROPOLONMDYOLVRU 50.8 InChI=1/C7533-75-5 10333OC(CCCCCCCC(=O)O)C(O)CC Aleuritic A MEHUJCGA 100.5 InChI=1/C1533-87-9 10334Cc1ccco1 2-METHYL VQKFNUFA -87.5 InChI=1/C5534-22-5 10340CC1=NCCN1 2-METHYL-VWSLLSXLU 107 InChI=1/C4534-26-9 10341O=[N+]([O-])c1cc(cc(C)c1O)[ 4,6-DINIT ZXVONLUNI 86.6 InChI=1/C7534-52-1 10343CCCCC(C(=O)O)C(=O)O BUTYL MALMCRZWYDX 104.5 InChI=1/C7534-59-8 10344O=S(=O)(Nc1nnc(s1)C(C)(C)C)GlybuthiazDVQVBLBKE 222 InChI=1/C1535-65-9 10354Cc1cccc(c1)C(C)C M-CYMENEXCYJPXQAC -63.7 InChI=1/C1535-77-3 10355

Merck Cc1cc(nc(Cl)n1)N(C)C 2-CHLORO-HJIUPFPIE 87 InChI=1/C7535-89-7 10356Nc1cc(ccc1O)C(=O)OC Benzoic aciVNQABZCS 143 InChI=1/C8536-25-4 10358O=C(NN)c1ccc(Cl)cc1 BENZOYLHYPKBGHORN 164 InChI=1/C7536-40-3 10359Cc1ccc(cc1)S(O)=O P-TOLUENEFXJVNINSO 86.5 InChI=1/C7536-57-2 10361

CC(C)c1ccc(cc1)C(=O)O CUMIC ACICKMXAIVX 117.5 InChI=1/C1536-66-3 10363C#Cc1ccccc1 ETHYNYL BUEXCJVNB -44.8 InChI=1/C8536-74-3 10364O=S(=O)(Nc1ccc(cc1)C(=O)O)p-(BenylsuZOFLWJXPX 229.5 InChI=1/C1536-95-8 10368Nc2ncnc(Nc1ccccc1)n2 2-AMINO-4YMFGJWGA 235.5 InChI=1/C9537-17-7 10375Brc1cc(cc(Br)c1O)CC(N)C(=O L-Tyrosine,COESHZUD 245 InChI=1/C9300-38-9 10376CN3C1CCC3CC(C1)OC(=O)c2cTROPACOCXQJMXPAE 49 InChI=1/C1537-26-8 10377BrC1=CC(=N\Cl)\C=C(Br)C1= 2,6-DIBR JYWKEVKE 83 InChI=1/C6537-45-1 10378O=C(Nc1ccccc1)NN HYDRAZINEMOCKWYUC 128 InChI=1/C7537-47-3 10380Nc1ccc(cc1)Nc2ccc(N)cc2 1,4-BenzenQZHXKQKK 158 InChI=1/C1537-65-5 10384[O-][N+](=O)c2cc(SSc1cc(ccc1DISULFIDE,ODOFDWDU 84 InChI=1/C1537-91-7 10385CCN(CCCl)CCCl BIS(2-CHL UQZPGHOJ -34 InChI=1/C6538-07-8 10391

CRC (2008) O=C(CCCCCCC)OC(COC(=O)CTRIOCTONVLPFTAMP 10 InChI=1/C2538-23-8 10393NC(=O)NCc1ccccc1 BENZYLUR RJNJWHFSK 148 InChI=1/C8538-32-9 10396Cc2ccc(CCc1ccc(C)cc1)cc2 BENZENE, 1XCCQFUHB 85 InChI=1/C1538-39-6 10397Nc2ccc(/N=N/c1ccc(N)cc1)cc4,4'-DIAM KQIKKETX 250.5 InChI=1/C1538-41-0 10398OCC(O)COc1ccccc1 PHENYL GLFNQIYTUX 67.5 InChI=1/C9538-43-2 10399C(=N/c1ccccc1)\c2ccccc2 BENZALANIUVEWQKMP 54 InChI=1/C1538-51-2 10400C(SCc1ccccc1)c2ccccc2 BENZYL SULUFPJJNW 49.5 InChI=1/C1538-74-9 10407N(=C=N\C1CCCCC1)\C2CCCCCyclohexanQOSSAOTZ 34.5 InChI=1/C1538-75-0 10408Clc1ccc(NC(C)=O)cc1 P-CHLOROAGGUOCFNA 179 InChI=1/C8539-03-7 10411O=C1C=CC=CC=C1 2,4,6-CYC QVWDCTQR -7 InChI=1/C7539-80-0 10419CCCCC(=O)OCC ETHYL VALICMAFTSL -91.2 InChI=1/C7539-82-2 10420O=C(CCCCC)OCCCCC Hexanoic acWRFZKAGP -47 InChI=1/C1540-07-8 10424CCCCCCCCC(=O)CCCCCCCC 9-HEPTAD WTJKUFML 53 InChI=1/C1540-08-9 10425CCCCCCCCCCCC(=O)CCCCCCC12-Tricosa VARQGBHB 70.2 InChI=1/C2540-09-0 10426CCCCCCCCCCCCCCCC(=O)OC HexadecanoPXDJXZJSC 54 InChI=1/C3540-10-3 10427O=C(CCC)OCCCCC PENTYL BUCFNJLPHO -73.2 InChI=1/C9540-18-1 10428Ic1ccc(N)cc1 BENZENAMIVLVCDUSV 67.5 InChI=1/C6540-37-4 10431Ic1ccc(O)cc1 4-IODOPH VSMDINRN 93.5 InChI=1/C6540-38-5 10432CCC(=O)OCC(C)C 2-METHYL FZXRXKLUI -71.4 InChI=1/C7540-42-1 10433CCCCl 1-CHLORO SNMVRZFU -122.8 InChI=1/C3540-54-5 10437N#CCN AMINOACETDFNYGALU 101 InChI=1/C2540-61-4 10439CCOC ETHYL METXOBKSJJDN -113 InChI=1/C3540-67-0 10441O=CON AmmoniumVZTDIZUL 116 InChI=1/CH540-69-2 10442CC(C)CC(C)(C)C 2,2,4-TRI NHTMVDHE -107.3 InChI=1/C8540-84-1 10445

Merk Index (2 C[Si]1(C)O[Si](C)(C)O[Si](C)(CDODECAMEIUMSDRXL -3 InChI=1/C1540-97-6 10449C[Si](C)(C)O[Si](C)(C)O[Si](C) HEXADECANFVSFLUJR -78 InChI=1/C1541-01-5 10450

Merck C[Si]1(C)O[Si](C)(C)O[Si](C)(CDECAMETHXMSXQFUH -38 InChI=1/C1541-02-6 10451C[Si]1(C)O[Si](C)(C)O[Si](C)( HEXAMETHYHTDJPCNN 64.5 InChI=1/C6541-05-9 10452CCCC(N)=O BUTYRAMIDNSISZSE 114.8 InChI=1/C4541-35-5 10464ClC(=O)OCC ETHYL CH RIFGWPKJ -80.6 InChI=1/C3541-41-3 10465CC(C)CC(N)=O ButanamideSANOUVWG 137 InChI=1/C5541-46-8 10467C\C(C)=C/C(=O)O 2-Butenoic YYPNJNDO 69.5 InChI=1/C5541-47-9 10468CC(N)CC(=O)O Butanoic aOQEBBZSW 193 InChI=1/C4541-48-0 10469O=C1C=CC(=O)N1 1H-PYRROLPEEHTFAA 94 InChI=1/C4541-59-3 10471

ClC1CCCCC1 CHLOROCYUNFUYWDG -44 InChI=1/C6542-18-7 10487CCCCCCCCCCCCCC(=O)CCCC 14-HEPTA VCZMOZVQ 77.5 InChI=1/C2542-50-7 10490CC(C)CCC#N 4-METHYLPDUJMVKJJ -51 InChI=1/C6542-54-1 10491CC(C)COC=O ISOBUTYL AVMSWPWP -95.8 InChI=1/C5542-55-2 10492CCCCI N-BUTYL I KMGBZBJJ -103 InChI=1/C4542-69-8 10497ClCCC#N 3-CHLOROPGNHMRTZZ -51 InChI=1/C3542-76-7 10498O=CCC=O MalonaldeWSMYVTOQ 72 InChI=1/C3542-78-9 10499N#CSCC ETHYL THI WFCLYEAZ -85.5 InChI=1/C3542-90-5 10503CC(=O)NCC(=O)O Glycine, N-OKJIRPAQ 206 InChI=1/C4543-24-8 10507NC(=O)OCC(C)C Carbamic aBRUZQRBV 67 InChI=1/C5543-28-2 10508CCCCCCl 1-CHLORO SQCZQTSHS -99 InChI=1/C5543-59-9 10512N=C(N)NC\C=C(/C)C (3-METHYLUVMLHMAI 62.5 InChI=1/C6543-83-9 10518CC(C)CCNCCC(C)C 1-ButanamiSPVVMXMT -44 InChI=1/C1544-00-3 10523CC(C)CCSCCC(C)C DIISOAMYLJWEWNTJA -74.6 InChI=1/C1544-02-5 10525CCCCCCCl 1-CHLORO MLRVZFYX -94 InChI=1/C6544-10-5 10526C1=CC=CC=CC1 CYCLOHEPTCHVJITGCY -79.5 InChI=1/C7544-25-2 10534CCCCSCCCC Di-n-butyl HTIRHQRT -79.7 InChI=1/C8544-40-1 10536NC(=O)C#CC#CC#CCO Agrocybin OXONWCQU 140 InChI=1/C8544-44-5 10538

Lide O=C(O)CCCCCCCCCCCCC TETRADECATUNFSRHW 53.9 InChI=1/C1544-63-8 10539CCCCCCCCCCCCCCCC N-HEXADEDCAYPVUW 18.1 InChI=1/C1544-76-3 10540CCCCCCCCCCCCCCCCI 1-IODOHE KMWHQYDM 22 InChI=1/C1544-77-4 10541CCCCCCCCCCCCCCCCCCCCCCDOTRIACOQHMGJGNT 69.7 InChI=1/C3544-85-4 10542O=P(N1CC1)(N2CC2)N3CC3 TEPA FYAMXEPQ 41 InChI=1/C6545-55-1 10550O=C1NC(=O)NC(=O)C1(CC(Br)BARBITURICKTGWBBOJ 181 InChI=1/C1545-93-7 10554CC(C)C(=O)OC METHYL ISBHIWKHZA -84.7 InChI=1/C5547-63-7 10571O=C(O)c4ccccc4C=2c3cc(Br)cSpiro[isob AZXGXVQW 295.5 InChI=1/C217372-87-1 10581O=C3C=Cc2cccc1cccc3c12 Perinapht WWBGWPHH 154 InChI=1/C1548-39-0 10582CC(C)c1ccc(C)c(C(=O)O)c1O o-ThymoticFNWNGQGT 127 InChI=1/C1548-51-6 10584O=C1N(CC(=C)C)C(N)=CC(=O AmisometrFXNYSZHY 175 InChI=1/C9550-28-7 10600[O-][N+](=O)c1c2ccccc2ccc1 1-Nitro-2- SSHIVHKM 104 InChI=1/C1550-60-7 10604S=C=N\c2cccc1ccccc12 1-ISOTHI JBDOSUUX 58 InChI=1/C1551-06-4 10609O=[N+]([O-])c1ccccc1C(=O)O2-NITROBESLAMLWHE 147.5 InChI=1/C7552-16-9 10616O=C(O)c1ccc2C(=O)OC(=O)c2TRIMELLIT SRPWOOOH 162 InChI=1/C9552-30-7 10618O=C(C)Nc1ccccc1[N+]([O-])= 2-NITROACBUNFNRVL 94 InChI=1/C8552-32-9 10619O=C(C)c1ccc(cc1O)OC 2-HYDROXUILPJVPSN 52.5 InChI=1/C9552-41-0 10621CN(c1ccccc1)c2ccccc2 DIPHENYL DYFFAVRF -7.5 InChI=1/C1552-82-9 10627O=C(C(O)c1ccco1)c2ccco2 FURAN, 2- MIJRFWVF 135.5 InChI=1/C1552-86-3 10629O=[N+]([O-])c1ccccc1C=O O-NITROB CMWKITSN 43.5 InChI=1/C7552-89-6 10630COc2ccccc2OC(=O)Oc1ccccc Guaiacol CORUJFMPW 89 InChI=1/C1553-17-3 10633ClCCN(CCCl)c1ccccc1 N,N-DI-B- ROSJKFFLI 45 InChI=1/C1553-27-5 10637[O-][N+](=O)c1ccc(OCCC)c(N)5-Nitro-2- RXQCEGOU 49 InChI=1/C9553-79-7 10647COc1ccc(Cl)cc1Cl Benzene, 2CICQUFBZ 28.5 InChI=1/C7553-82-2 10648O=C(OC)C(=O)OC METHYL O LOMVENUN 54.3 InChI=1/C4553-90-2 10649O=C1C=CC(=O)C(C)=C1 2-METHYL-VTWDKFNV 69 InChI=1/C7553-97-9 10651CCC(=O)OC METHYL P RJUFJBKO -87.5 InChI=1/C4554-12-1 10653

O=C(O)C(CC)Oc1c(I)cc(I)cc1I PhenobutioVYAGDYWT 124.5 InChI=1/C1554-24-5 10656O=[N+]([O-])c1cccc(O)c1 3-NITROPHRTZZCYNQ 96.8 InChI=1/C6554-84-7 10664Oc1ccc(cc1O)C(O)CN(C)C N-MethylepRLATYNCIT 149 InChI=1/C1554-99-4 10666Clc1ccc(NC(=O)N(C)CCCC)cc1NEBURON CCGPUGMW 102 InChI=1/C1555-37-3 10672O=C(CCCCCCCCCCCCCCCCC)OTristearin DCXXMTOC 55 InChI=1/C5555-43-1 10673O=C(CCCCCCCCCCCCCCC)OC(HEXADECANPVNIQBQS 66.5 InChI=1/C5555-44-2 10674O=C(CCCCCCCCCCCCC)OC(COTetradecanoDUXYWXYO 56.5 InChI=1/C4555-45-3 10675Clc2ccc(OCOc1ccc(Cl)cc1)cc2NEOTRAN COVKSLBA 70.5 InChI=1/C1555-89-5 10682

Lide, DR ET AL.NNCc1ccccc1 BenzylhydrNHOWLEZF 26 InChI=1/C7555-96-4 10684Lide, DR ET AL O=Cc1ccc(N)cc1 4-AminobeVATYWCRQ 71.5 InChI=1/C7556-18-3 10685

OC1CCC(O)CC1 1,4-CycloheVKONPUDB 143 InChI=1/C66995-79-5 10689C\N=C=S METHYL ISLGDSHSYD 36 InChI=1/C 556-61-6 10694N#CSC METHYL T VYHVQEYOF -5 InChI=1/C 556-64-9 10695C[Si]1(C)O[Si](C)(C)O[Si](C)(COCTAMETHHMMGMWA 17.5 InChI=1/C8556-67-2 10696C[Si]1(C)O[Si](C)(C)O[Si](C)(CHEXADECAXKJMJYZFA 31.5 InChI=1/C1556-68-3 10697NC(=O)NCC=C Urea, 2-pr VPJDULFX 85 InChI=1/C4557-11-9 10708O=C(O)CCCCCCCCCCCCCCCC TetracosanQZZGJDVW 84.2 InChI=1/C2557-59-5 10724

CRC (2005) BrC(Br)C 1,1-DIBR APQIUTYO -63 InChI=1/C2557-91-5 10728BrC(=C)C 1-Propene,PHMRPWPD -126 InChI=1/C3557-93-7 10729C=C(C)Cl 2-CHLORO PNLQPWWB -137.4 InChI=1/C3557-98-2 10730CC(F)=O Acetyl fluoJUCMRTZQ -84 InChI=1/C 557-99-3 10731BrC(Br)(Br)Br CARBON T HJUGFYRE 90.1 InChI=1/CB558-13-4 10732CC(C)(C)I Propane, 2ANGGPYSF -38.2 InChI=1/C4558-17-8 10733C=CC(C)(C)C 3,3-DIMETPKXHXOTZ -115.2 InChI=1/C6558-37-2 10737CC(C)C(C)(C)CC 2,3,3-TRI OKVWYBAL -100.9 InChI=1/C8560-21-4 10742C=C(C)C(C)(C)CC 2,3,3-TRI TUSBCMPN -69 InChI=1/C8560-23-6 10743O=[N+]([O-])C(Br)([N+](=O)[OMETHANE,KWSSHZBB 17.5 InChI=1/CB560-95-2 10747CC(C)(CC)CC 3,3-DIMETAEXMKKGT -134.9 InChI=1/C7562-49-2 10755Cc1cc(ccc1)OP(=O)(Oc2cc(C) TRI-M-CRERMLPZKRP 25.5 InChI=1/C2563-04-2 10758CC(C)(CC)CCC 3,3-DIMETKUMXLFIB -126.1 InChI=1/C8563-16-6 10759C=CC(C)C 3-METHYL-YHQXBTXEY -168.5 InChI=1/C5563-45-1 10765C=C(C)CC 2-METHYL-MHNNAWX -137.5 InChI=1/C5563-46-2 10766C=C(C)C(C)C 2,3-DIMETOWWIWYDD -157.3 InChI=1/C6563-78-0 10775C/C(C)=C(/C)C 2,3-DIMETWGLLSSPD -74.6 InChI=1/C6563-79-1 10776

CRC (2007) CC(C)C(C)=O 3-METHYL SYBYTAAJF -93.1 InChI=1/C5563-80-4 10777CC(CC)C(C)(C)C 2,2,3-TRI XTDQDBVB -112.2 InChI=1/C8564-02-3 10781ClCC(Cl)C(=O)O 2,3-DICHL GKFWNPPZ 50 InChI=1/C3565-64-0 10789O=C(O)C(O)CC 2-Hydroxy-AFENDNXG 44.2 InChI=1/C4600-15-7 10792O=C(O)C(O)CN Isoserine BMYNFMYT 235 InChI=1/C3632-12-2 10793CC(C)C(Br)C(=O)O 2-BROMO-3UEBARDWJ 44 InChI=1/C5565-74-2 10794CC(C)C(C)C(C)C 2,3,4-TRI RLPGDEOR -109.2 InChI=1/C8565-75-3 10795C/C(C)=C(/C)C(C)C 2,3,4-TRI SZFRZEBLZ -113.4 InChI=1/C8565-77-5 10796CC(C)C(=O)C(C)C 2,4-DIMETHXVNBWAK -69 InChI=1/C7565-80-0 10797CC(=O)OCC(=O)C1CCC2C3CC=21-Acetox MDJRZSNP 184.5 InChI=1/C2566-78-9 10802

Lide, DR ET AL OC(=O)c1c(C)cccc1O 6-MethylsalHCJMNOSI 173 InChI=1/C8567-61-3 10805

O=C2c1n(C)c(nc1N(C)C(=O)N1H-Purine-ATPSJRIIR 176 InChI=1/C9569-34-6 10812Cc1cccc2cccc(C)c12 1,8-DIMETXAABPYIN 65 InChI=1/C1569-41-5 10813OC(=O)c1c(cccc1C(=O)O)C(= HEMIMELLIUJMDYLWC 200 InChI=1/C9569-51-7 10814COc1ccc(cc1)C(\Cl)=C(/c2cccChlorotria BFPSDSIW 115 InChI=1/C2569-57-3 10815CN2CC=3C(c1ccccc1C=3CC2)cPhenindamISFHAYST 91 InChI=1/C182-88-2 10817O=[N+]([O-])c1cccc(C)c1N 2-Methyl-6FCMRHMPI 96 InChI=1/C7570-24-1 10824Cc1ccc(C)c2ccccc12 1,4-DIMETAPQSQLNW 7.6 InChI=1/C1571-58-4 10829Cc2cccc1c2cccc1C 1,5-DIMETSDDBCEWU 82 InChI=1/C1571-61-9 10831CCOP(=S)(OCC)Oc2ccc3C=1CCoumithoaNSMRHYDO 88.25 InChI=1/C1572-48-5 10832COc1c(OC)c(ccc1OC)C(=O)O 2,3,4-TRI HZNQSWJZ 100.5 InChI=1/C1573-11-5 10833Brc2cc3ccccc3c1ccccc12 9-BromophRSQXKVWK 64.5 InChI=1/C1573-17-1 10834CC(=O)Oc1cc(C)c(OC(C)=O)c2Menadiol dRYWSYCQQ 113 InChI=1/C1573-20-6 10835

CRC O=[N+]([O-])c1cccc([N+]([O- 2,6-DINIT JCRIDWXI 63.5 InChI=1/C6573-56-8 10837Oc2ccc1ccccc1c2Br 1-Bromo-2FQJZPYXGP 84 InChI=1/C1573-97-7 10840Cc1c2ccccc2ccc1C 1,2-DIMETQNLZIZAQL 1.6 InChI=1/C1573-98-8 10841O=C2c1ccccc1C(=O)N2CCBr N-(2-BROMCHZXTOCA 82.5 InChI=1/C1574-98-1 10848Cc1cccc2ccc(C)cc12 1,7-DIMETSPUWFVKL -13.9 InChI=1/C1575-37-1 10849Cc2cc(C)cc1ccccc12 1,3-DIMETQHJMFSMP -6 InChI=1/C1575-41-7 10850Cc2cccc1cc(C)ccc12 1,6-DIMETCBMXCNPQ -16.9 InChI=1/C1575-43-9 10851Oc1cccc(Cl)c1Cl 2,3-DICHL UMPSXRYV 58 InChI=1/C6576-24-9 10857Brc1c(C)c(O)c(Br)c(Br)c1Br Phenol, 2, GGIDUULR 208 InChI=1/C7576-55-6 10859O=[N+]([O-])c1ccccc1Br O-BROMONORPVVAKYS 43 InChI=1/C6577-19-5 10864Oc2c3ccc(O)c(O)c3cc1ccccc1AnthrarobiTZIQWQAR 208 InChI=1/C1577-33-3 10865CC(C)c1ccccc1C(C)C 1,2-DIISO OKIRBHVFJ -57 InChI=1/C1577-55-9 10867O=[N+]([O-])c1ccccc1C(C)=O 2-NITROA SUGXZLKU 28.5 InChI=1/C8577-59-3 10868O=[N+]([O-])c1cc(O)ccc1[N+]3,4-DINIT AKLOLDQY 134 InChI=1/C6577-71-9 10870

ALDRICH (2000O=C1c3ccccc3OC(=C1O)c2ccc3-HydroxyfHVQAJTFO 171.5 InChI=1/C1577-85-5 10871Ic2cc(CC(c1ccccc1)C(=O)O)ccIodoalphionIKYIXZSIK 164 InChI=1/C1577-91-3 10872Nc1cccc2cccnc12 8-AMINOQWREVVZMU 70 InChI=1/C9578-66-5 10881O=C1N=C(N)Nc2ncn(C)c12 6H-Purin-6FZWGECJQ 370 InChI=1/C6578-76-7 10883CN(C(C)=O)c1ccccc1 N-METHYLALMTGCJAN 103 InChI=1/C9579-10-2 10886CN(c1ccc(O)cc1)C(=O)C(Cl)ClDILOXANIDGZZZSOOG 175 InChI=1/C9579-38-4 10889COc1ccccc1C(=O)O O-METHOXYILUJQPXN 101 InChI=1/C8579-75-9 10892Brc1ccc2ccccc2c1 2-BROMONAPSMUYYL 59 InChI=1/C1580-13-2 10894Nc1ccc2ncccc2c1 6-AMINOQRJSRSRIT 114 InChI=1/C9580-15-4 10895Oc1ccc2ncccc2c1 6-HDROXYOVYWMEWY 195 InChI=1/C9580-16-5 10896Nc1cc2ccccc2nc1 3-AMINOQSVNCRRZK 91.5 InChI=1/C9580-17-6 10897Nc1ccc2ccccc2n1 2-AMINOQGCMNJUJA 131.5 InChI=1/C9580-22-3 10901Clc1nc(nc(n1)N(CC)CC)N(CC) CHLORAZINQHXDTLYE 27 InChI=1/C1580-48-3 10902Oc1cc(ccc1)c2ccccc2 3-PHENYL UBXYXCRCO 78 InChI=1/C1580-51-8 10903CCOc1ccccc1NC(C)=O ACETAMIDESQRTWLGW 79 InChI=1/C1581-08-8 10905Cc1cc2ccccc2cc1C 2,3-DIMETWWGUMAYG 105 InChI=1/C1581-40-8 10908Cc1ccc2cc(C)ccc2c1 2,6-DIMETYGYNBBAU 112 InChI=1/C1581-42-0 10909[O-][N+](=O)c1ccc2ccccc2c1 2-NITRON ZJYJZEAJZ 79 InChI=1/C1581-89-5 10914O=C(O)Cc1ccc2ccccc2c1 2-NAPHTHAVIBOGIYPP 142 InChI=1/C1581-96-4 10915

c3cccc4ccc(/N=N/c1cc2ccccc2,2'-Bis(a GSCOATNE 208 InChI=1/C2582-08-1 10917Cc1cc2cc(C)ccc2cc1 2,7-DIMETLRQYSMQN 97 InChI=1/C1582-16-1 10918Oc1cc2cc(O)ccc2cc1 2,7-NaphthDFQICHCWI 193 InChI=1/C1582-17-2 10919Ic1ccccc1Br Benzene, 1OIRHKGBN 9.5 InChI=1/C6583-55-1 10935CC1CCCCC1C 1,2-DIMETKVZJLSYJR -49.9 InChI=1/C8 1/4/2207 10936Cc1ccncc1C 3,4-DIMETNURQLCJS -11 InChI=1/C7583-58-4 10937

Hawley (2007)CC1CCCCC1O MethylcyclNDVWOBYB -50 InChI=1/C725639-42-3 10938Cc1cc(Br)c(N)cc1 BenzenaminUVRRJILIX 26 InChI=1/C7583-68-6 10942Cc1cc(Br)ccc1N BenzenaminPCHYYOCU 59.5 InChI=1/C7583-75-5 10943CCC(O)CC 3-PENTAN AQIXEPGD -69 InChI=1/C5584-02-1 10947

LIDE, DR ET AL.Nn1cnnc1 4H-1,2,4-TrFMCUPJKT 82.5 InChI=1/C2584-13-4 10951O=C1CCC(=O)N1 SUCCINIMIKZNICNPSH 126.5 InChI=1/C4123-56-8 10955O=C2CC(OC(=O)C1C(/C=C(\C)ALLETHRINZCVAOQKB 4 InChI=1/C1584-79-2 10958Cc2ccccc2/N=N/c1ccccc1C BIS(2-MET LNXCQLYW 55.5 InChI=1/C1584-90-7 10961CC(C)(C)c1cc(O)ccc1 PHENOL, 3-CYEKUDPF 42.3 InChI=1/C1585-34-2 10966OC(=O)c1cc(Br)ccc1 M-BROMOBVOIZNVUX 155 InChI=1/C7585-76-2 10972O=[N+]([O-])c1cc(cc(O)c1)[N+3,5-DINIT UEMBNLWZ 125.1 InChI=1/C6586-11-8 10975COc1cc(ccc1)C(=O)O M-METHOXXHQZJYCN 107 InChI=1/C8586-38-9 10977OC(=O)c1ccc(Br)cc1 P-BROMOBETUXYZHVU 254.5 InChI=1/C7586-76-5 10980OC(=O)c1ccc(cc1)C(C)=O P-ACETYLBQBHDSQZAS 208 InChI=1/C9586-89-0 10986OCc1ccncc1 4-PYRIDIN PTMBWNZJ 53 InChI=1/C6586-95-8 10988O=Nc1ccccc1 NITROSOB NLRKCXQQ 68.5 InChI=1/C6586-96-9 10989CCc1cc(N)ccc1 m-EthylanilAMKPQMFZ -64 InChI=1/C8587-02-0 10991O=C(Nc1ccccc1)CCl A-CHLOROAVONWPEXR 87 InChI=1/C8587-65-5 11001c1ccccc1Nc2ccccc2 DIPHENYL DMBHHRLK 52.9 InChI=1/C1122-39-4 11003Clc1cc(NC(C)=O)ccc1 3-CHLOROAMUUQHCOA 80 InChI=1/C8588-07-8 11009Clc1ccc(OCC(=O)O)cc1Cl 3,4-DICHL SNYRXHUL 139 InChI=1/C8588-22-7 11011

Lide Clc1cc(OCC(=O)O)ccc1 M-CHLOROXSBUXVWJ 110 InChI=1/C8588-32-9 11013O=[N+]([O-])OCCN(CCO[N+]([Trolnitrat HWKQNAW 108 InChI=1/C6588-42-1 11015CC(=O)NCc1ccccc1 N-BENZYL UZJLYRRD 61 InChI=1/C9588-46-5 11016

CRC Handbook Cc1ccc(CO)cc1 P-METHYL KMTDMTZB 61.5 InChI=1/C8589-18-4 11021OCc1ccc(CO)cc1 1,4-BenzenBWVAOONF 117.5 InChI=1/C8589-29-7 11022CC(CC)CCC 3-METHYL VLJXXKKOS -119 InChI=1/C7589-34-4 11023CCC(=O)CCC 3-HEXANOPFCHFHIR -55.5 InChI=1/C6589-38-8 11025CC(CCC)CCC 4-METHYL CHBAWFGI -121 InChI=1/C8589-53-7 11028CCCC(O)CCC 4-HEPTAN YVBCULSI -41.2 InChI=1/C7589-55-9 11029CCCC(O)CCCC 4-Octanol, (WOFPPJOZ -40.7 InChI=1/C874778-22-6 11031O=C(CCCCCCC)OCCCC BUTYL OC PSXNDMJW -42.9 InChI=1/C1589-75-3 11033CC(CC)CCCC 3-METHYL LAIUFBWHE -100 InChI=1/C8589-81-1 11035Ic1ccc(Br)cc1 4-BROMOIUCCUXODG 92 InChI=1/C6589-87-7 11038CC1CCC(C)CC1 1,4-DIMETQRMPKOFE -87.4 InChI=1/C8624-29-3 11039CC1CCC(C)CC1 1,4-DIMETQRMPKOFE -87 InChI=1/C8589-90-2 11039CC1CCC(C)CC1 1,4-DIMETQRMPKOFE -36.9 InChI=1/C8 4/7/2207 11039O=C1CCC(C)CC1 4-METHYL VGVHNLRU -40.6 InChI=1/C7589-92-4 11041Cc1cnc(C)cc1 2,5-DIMETXWKFPIOD -16 InChI=1/C7589-93-5 11042

CCC(O)CCCCC 3-OCTANONMRPBPVE -45 InChI=1/C8589-98-0 11043CCC(O)CCCCC OCTANOL (iNMRPBPVE -16 InChI=1/C829063-28-3 11043CCC(=O)OCCCC N-BUTYL PBTMVHUNT -89 InChI=1/C7590-01-2 11045C=C=C\C 1,2-BUTADQNRMTGGD -136.2 InChI=1/C4590-19-2 11051CC(C)(C)CCC 2,2-DIMETCXOWYJM -123.8 InChI=1/C7590-35-2 11055CC(C)(O)CCC 2-METHYL-WFRBDWRZ -103 InChI=1/C6590-36-3 11056CC(C)(C)/N=C=S Propane, 2ZFWFRTVII 10.5 InChI=1/C5590-42-1 11057CC(C)(C)CC(C)=O 2-PENTANOAZASWMGV -64 InChI=1/C7590-50-1 11059CC1(C)CCCCC1 1,1-DIMETQEGNUYAS -33.3 InChI=1/C8590-66-9 11062CC1(O)CCCCC1 1-METHYL VTBOTOBF 25 InChI=1/C7590-67-0 11063CC(C)(C)CCCC 2,2-DIMETFLTJDUOF -121.1 InChI=1/C8590-73-8 11064CC(C)CC=O 3-METHYL-YGHRJJRR -51 InChI=1/C5590-86-3 11065BrCCC(=O)O Propanoic DHXNZYCX 62.5 InChI=1/C3590-92-1 11066CC1=CCC(=O)O1 2(3H)-FuraQOTQFLOT 18 InChI=1/C5591-12-8 11071Ic1cccc(Br)c1 Benzene, 1CTPUUDQI -9.3 InChI=1/C6591-18-4 11073CC1CCCC(C)C1 1,3-DIMETSGVUHPSB -75.6 InChI=1/C8638-04-0 11076Cc1cncc(C)c1 3,5-DIMETHWWYDZCS -6.6 InChI=1/C7591-22-0 11077Nc1cccc(O)c1 PHENOL, 3CWLKGDAV 123 InChI=1/C6591-27-5 11080Oc1cc(Cl)cc(Cl)c1 3,5-DICHL VPOMSPZB 68 InChI=1/C6591-35-5 11083CC1CC=CCC1 CyclohexenFSWCCQWD -115.5 InChI=1/C7591-47-9 11084CC=1CCCCC=1 1-METHYL CTMHWPIW -120.4 InChI=1/C7591-49-1 11086

CRC (2007) Ic1ccccc1 IODOBENZSNHMUERN -31.3 InChI=1/C6591-50-4 11087O=C(CC(C)=O)OCCCC Butanoic acREIYHFWZI -35.6 InChI=1/C8591-60-6 11088CC(=O)CCC(=O)O LEVULINIC JOOXCMJA 33 InChI=1/C5123-76-2 11091CC(C)CCCC 2-METHYL GXDHCNNE -118.2 InChI=1/C7591-76-4 11094CC(=O)CCCC 2-HEXANOQQZOPKMR -55.5 InChI=1/C6591-78-6 11095C=CCC=C 1,4-PENTAQYZLKGVU -148.8 InChI=1/C5591-93-5 11099C=C=C\CC 1,2-PENTALVMTVPFR -137.3 InChI=1/C5591-95-7 11100CC(C)CCC(C)C 2,5-DIMETUWNADWZG -91 InChI=1/C8592-13-2 11104CC(C)CCCCC 2-METHYL JVSWJIKNE -108.9 InChI=1/C8592-27-8 11106CC(C)CCCCC ISOOCTANJVSWJIKNE -105 InChI=1/C826635-64-3 11106NC(=O)NCCCC BUTYLURE CNWSQCLB 97 InChI=1/C5592-31-4 11107NC(=O)OCCCC O-BUTYL SKKTUOZK 53 InChI=1/C5592-35-8 11108C=CCCCC 1-HEXENE LIKMAJRDD -139.7 InChI=1/C6592-41-6 11109C=CCCC=C 1,5-HEXADPYGSKMBE -140.7 InChI=1/C6592-42-7 11110CCCCCF 1-FLUORO OEPRBXUJ -120 InChI=1/C5592-50-7 11115C1=CC=CCC1 1,3-CYCLO MGNZXYYW -89 InChI=1/C6592-57-4 11117CC(C)CSCC(C)C Propane, 1,CMWSRWTX -105.5 InChI=1/C8592-65-4 11119CCCCCC=C 1-HEPTENEZGEGCLOF -119.7 InChI=1/C7592-76-7 11121O=COCCCC N-BUTYLF NMJJFJNH -91.5 InChI=1/C5592-84-7 11125

CRC HandbookC=CCSCC=C DIALLYL SUUBJVUCKU -85 InChI=1/C6592-88-1 11128CC(=O)CCCCCCCCCCC 2-TRIDECACYIFVRUO 30.5 InChI=1/C1593-08-8 11132CCCCCCCCCCCCCCCCCC OCTADECARZJRJXON 28.2 InChI=1/C1593-45-3 11145CCCCCCCCCCCCCCCCCCCCCCHEPTACOSBJQWYEJQ 59.5 InChI=1/C2593-49-7 11146CF FLUOROMENBVXSUQY -141.8 InChI=1/C 593-53-3 11148

BrC=C BROMOETHINLLPKCGL -137.8 InChI=1/C2593-60-2 11151ClCF CHLOROFLXWCDCDSD -133 InChI=1/CH593-70-4 11153[C-]#[N+]C METHYL ISZRKSVHFXT -45 InChI=1/C 593-75-9 11156CNO N-METHYLCPQCSJYYD 87.5 InChI=1/C 593-77-1 11157CC1CC1 METHYLCYVNXBKJFU -177.3 InChI=1/C4594-11-6 11167BrC(Br)(Cl)Cl METHANE,IHUREIPXV 38 InChI=1/CB594-18-3 11169CC(C)(Cl)Cl Propane, 2,ZEOVXNVK -33.8 InChI=1/C3594-20-7 11170CC(C)C(Br)Br 1,2-DIBR FGOANQWF 10.5 InChI=1/C4594-34-3 11173CCS(=O)(=O)O EthanesulfoCCIVGXIOQ -17 InChI=1/C2594-45-6 11178C=C(C)C(C)(C)C 2,3,3-TRI AUYRUAVC -109.9 InChI=1/C7594-56-9 11179CC(C)C(C)(C)O 2,3-DIMETIKECULIHB -14 InChI=1/C6594-60-5 11180O=C(O)C(C)(C)O A-HYDROXYBWLBGMIX 82.5 InChI=1/C4594-61-6 11181CC(C)(C)[N+]([O-])=O 2-METHYL-AIMREYQY 26.23 InChI=1/C4594-70-7 11182CC(C)(C)C(C)(C)C 2,2,3,3-T OMMLUKLX 100.7 InChI=1/C8594-82-1 11185CC(C)(C)C(C)(C)O 2,3,3,-TR OKXVARYI 17 InChI=1/C7594-83-2 11186ClC(Cl)C(Cl)(Cl)C(Cl)(Cl)Cl 1,1,1,2,2, YFIIENAGG 29.4 InChI=1/C3594-89-8 11187CC(C)(CC)C(=O)O 2,2-DIMETVUAXHMVR -14 InChI=1/C6595-37-9 11193O=[N+]([O-])C(C)([N+](=O)[O-1,1,1-Trini HSYGKEBJ 57 InChI=1/C2595-86-8 11197Brc4c5Oc1c(Br)c(O)ccc1C3(O4',5'-Dibr ZDTNHRWW 285 InChI=1/C2596-03-2 11198BrC(c1ccccc1)(c2ccccc2)c3cc Benzene, 1,NZHXEWZG 153 InChI=1/C1596-43-0 11200O=[N+]([O-])C(CC)(CO)CO 2-ETHYL-2 YADISKICB 57.5 InChI=1/C5597-09-1 11204CCC(O)(CC)CC 3-ETHYL-3 XKIRHOWV -12.5 InChI=1/C7597-49-9 11210CCCS(=O)(=O)CCC PROPYL SUJEXYCADT 29.5 InChI=1/C6598-03-8 11217CC(O)(CC)CCCC 3-Methyl-3PQOSNJHBS -83 InChI=1/C85582-82-1 11218C=C=C(\C)C 3-METHYL-PAKGDPSC -113.6 InChI=1/C5598-25-4 11222

CRC (2007) CC(=O)CBr 1-BROMO-VQFAIAKC -36.5 InChI=1/C3598-31-2 11223NC(=O)NC UREA, METXGEGHDBE 103 InChI=1/C2598-50-5 11227NC(=O)OC O-METHYLGTCAXTIRR 54 InChI=1/C2598-55-0 11229

CRC HandbookCCN(C)C ETHYL DIMDAZXVJBJ -140 InChI=1/C4598-56-1 11230[O-][N+](=O)OC METHYLNI LRMHVVPP -82.5 InChI=1/C 598-58-3 11231CC1CCC1 METHYLCYBDJAEZRI -161.5 InChI=1/C5598-61-8 11232CC(C)C(C)N 3-Methyl-2JOZZAIIG -50 InChI=1/C5598-74-3 11238

LIDE, DR ET AL.C=C(Cl)C(=O)O 2-PropenoicSZTBMYHIY 66 InChI=1/C3598-79-8 11242CN(C)C(N)=O 1,1-DIMETYBBLOADP 183.5 InChI=1/C3598-94-7 11244ClC(Cl)(Cl)C(=O)OC METHYL TRVHFUHRXY -17.5 InChI=1/C3598-99-2 11246OCC(=O)C4(O)C(=C)CC3C2CCPrednylideWSVOMAND 234 InChI=1/C2599-33-7 11247

ALDRICH (2000Nc1cc(ccc1)S(=O)(=O)c2cc(N)BenzenamineLJGHYPLB 171.5 InChI=1/C1599-61-1 11248Aldrich (1998) CC(C)(c1ccc(O)cc1)c2ccccc2 Phenol, 4-(QBDSZLJB 75 InChI=1/C1599-64-4 11249

BrC(CBr)C(=O)O Propanoic ZMYAKSMZ 66.5 InChI=1/C3600-05-5 11253O=C(O)C(CC)C(=O)O ETHYLMALOUKFXDFUA 114 InChI=1/C5601-75-2 11263CC(C)N(N=O)C(C)C DI-I-PROP AUIKJTGFP 48 InChI=1/C6601-77-4 11265O=[N+]([O-])c1c(Cl)cccc1Cl 2,6-DICHL VITSNECN 72.5 InChI=1/C6601-88-7 11266O=[N+]([O-])c1c(O)cccc1O 2-NITROREZLCPKMIJ 82 InChI=1/C6601-89-8 11267O=[N+]([O-])c1cccc(C)c1[N+]2,3-DINIT DYSXLQBU 60 InChI=1/C7602-01-7 11268

ALDRICH (2000Oc4ccc1ccccc1c4c2c3ccccc3 (1,1'-BinapPPTXVXKC 215.5 InChI=1/C2602-09-5 11269

O=[N+]([O-])c1c(c(C)ccc1[N+]2,3,4-TRIN FPKOPBFL 112 InChI=1/C7602-29-9 11270[O-][N+](=O)c1cccc2cccc([N+NAPHTHALEAVCSMMMO 173 InChI=1/C1602-38-0 11271c1cccc2cc4ccccc4c(c12)c3ccc9-PHENYL LUBXLGUQ 156 InChI=1/C2602-55-1 11273[O-][N+](=O)c2c3ccccc3cc1c ANTHRACENLSIKFJXEY 146 InChI=1/C1602-60-8 11274O=C3c1ccccc1C(=O)c2c3cc(OAnthragalloAHKDJQYH 313 InChI=1/C1602-64-2 11275

CRC Handbook [O-][N+](=O)c1ccc3CCc2cccc ACENAPHTHCUARLQDW 103 InChI=1/C1602-87-9 11276Aldrich (1998) Fc1c(c(F)c(F)c(F)c1F)C(=O)O PentafluorYZERDTRE 101 InChI=1/C7602-94-8 11277

O=[N+]([O-])c1cc(c(C)c([N+]( 3-METHYL-YYGJRRYSY 109.5 InChI=1/C7602-99-3 11279c1ccccc1N(c2ccccc2)c3ccccc TRIPHENYLODHXBMXN 127 InChI=1/C1603-34-9 11282c1ccccc1P(c2ccccc2)c3ccccc3TRIPHENYLRIOQSEWO 80 InChI=1/C1603-35-0 11283[O-][N+](=O)c2cccc1C(=O)NC3-NITROPHBONIIQYT 214 InChI=1/C8603-62-3 11286

Aldrich (1998) OC(=O)c1cccc(C)c1C 2,3-DimethRIZUCYSQ 146 InChI=1/C9603-79-2 11289Cc1c(cccc1N)[N+]([O-])=O 3-Nitro-o-tHFCFJYRL 92 InChI=1/C7603-83-8 11290c3cccc4cccc(c2cccc1ccccc12)1,1'-Binap ZDZHCHYQ 160 InChI=1/C2604-53-5 11296CCc1c(CC)c(CC)c(CC)c(CC)c1 Benzene, hLXSMILGN 129 InChI=1/C1604-88-6 11298c1cc(c2ccccc2c1)c3ccccc3 NAPHTHALEIYDMICQA 45 InChI=1/C1605-02-7 11302Oc2ccc3C(=O)c1ccccc1C(=O) 2-HYDROXGCDBEYOJ 306 InChI=1/C1605-32-3 11303Cc2ccccc2c1ccccc1C 1,1'-BIPHE ABMKWMAS 19.5 InChI=1/C1605-39-0 11304CN(C)c2cccc1c2cccc1S(Cl)(= 1-NaphthalXPDXVDYU 70 InChI=1/C1605-65-2 11308

Aldrich (1998) [O-][N+](=O)c1cc([N+]([O-]) Martius yeFFRBMBIX 131 InChI=1/C1605-69-6 11309[O-][N+](=O)c2cccc1c2cccc1[NAPHTHALEZUTCJXFCH 219 InChI=1/C1605-71-0 11310

Lide, DR ET AL OC(=O)c1cccc(C(=O)O)c1O 1,3-BenzeneWVDGHGIS 244.5 InChI=1/C8606-19-9 11319Cc1c(cccc1[N+](=O)[O-])[N+]2,6-DINIT XTRDKALNC 66 InChI=1/C7606-20-2 11320COc1c(cc(cc1[N+]([O-])=O)[N2,4,6-TRIN FMXDVBRY 69 InChI=1/C7606-35-9 11324[O-][N+](=O)c2cc(cc1ccccc12NAPHTHALEULALSFRI 148 InChI=1/C1606-37-1 11325O=C2C=Cc1ccccc1N2C 1-METHYL-QYEMNJMS 74 InChI=1/C1606-43-9 11327O=[N+]([O-])c2ccccc2c1ccc(c2,4'-DINIT IZNVUHOC 93.5 InChI=1/C1606-81-5 11332[O-][N+](=O)c1cccc2ncccc12 5-NITROQUNDDZXHOC 74 InChI=1/C9607-34-1 11336[O-][N+](=O)c1cccc2cccnc12 8-NITROQUOQHHSGRZ 90 InChI=1/C9607-35-2 11337[O-][N+](=O)c1ccc2c3ccccc3 2-NITROFLXFOHWECQT 157 InChI=1/C1607-57-8 11338CC(=O)Oc2cnc1ccccc12 INDOLE-3- JBOPQACS 129 InChI=1/C1608-08-2 11348Brc1cccc(Br)c1Br 1,2,3-TRI GMVJKSNP 87.5 InChI=1/C6608-21-9 11349Oc1cccc(O)c1C 1,3-BenzenZTMADXFO 120 InChI=1/C7608-25-3 11350Ic1cccc(I)c1I BENZENE, 1RIWAPWDH 116 InChI=1/C6608-29-7 11352Clc1cccc(Cl)c1N 2,6-DICHL JDMFXJUL 39 InChI=1/C6608-31-1 11353

CRC Handbook Brc1cccc(Br)c1O 2,6-DIBR SSIZLKDLD 56.5 InChI=1/C6608-33-3 11354OC(=O)C(C)C(C)C(=O)O ButanedioicKLZYRCVP 140.5 InChI=1/C6597-43-3 11355Cc1c(c(C)cc(C)c1[N+](=O)[O-]BENZENE, 1OFMLQCPP 85.3 InChI=1/C9608-50-4 11356

CRC Handbook Brc1c(O)c(Br)c(Br)c(Br)c1Br PENTABROSVHOVVJF 229.5 InChI=1/C6608-71-9 11359Brc1cc(Br)c(Br)c(Br)c1Br PENTABROLLVVSBBX 160.5 InChI=1/C6608-90-2 11361Ic1cc(I)c(I)c(I)c1I PENTAIOD GGMXRUAP 172 InChI=1/C6608-96-8 11363Oc1cc(Cl)c(Cl)c(Cl)c1 3,4,5-TRI GBNHEBQX 101 InChI=1/C6609-19-8 11366Cc1cc(Br)cc(Br)c1O Phenol, 2, XMKVPKGY 58 InChI=1/C7609-22-3 11368Ic1cc(I)c(O)c(I)c1 2,4,6-TRI VAPDZNUF 159.8 InChI=1/C6609-23-4 11369CC(C)C(CC)CC 2-METHYL-DUPUVYJQZ -114.9 InChI=1/C8609-26-7 11370

[O-][N+](=O)C(CC)CO 2-NITRO-1 MHIHRIPE -47 InChI=1/C4609-31-4 11371[O-][N+](=O)c1ccco1 2-NITROF FUBFWTUF 30 InChI=1/C4609-39-2 11372[O-][N+](=O)c1cccs1 2-NITROTHJIZRGGUC 46.5 InChI=1/C4609-40-5 11373Cc1ccccc1N(C)C N,N-DIMETJDEJGVSZ -60 InChI=1/C9609-72-3 11376Oc1c(cc(Cl)cc1Cl)[N+]([O-])= 2,4-DICHL LYPMXMBQ 122 InChI=1/C6609-89-2 11378O=[N+]([O-])c1cc(C)cc([N+]( 2,6-DINITRHOYRZHJJ 78 InChI=1/C7609-93-8 11379O=[N+]([O-])c1cc(cc(C(=O)O)BENZOIC ACLWFUFLRE 170 InChI=1/C7609-99-4 11380Oc1ccc(C(=O)O)c(O)c1O 2,3,4-TRI BRRSNXCX 221 InChI=1/C7610-02-6 11381CN(C)c1ccccc1[N+]([O-])=O BenzenaminNPZDNLCY -20 InChI=1/C8610-17-3 11384O=[N+]([O-])c1cc(c(C)cc1[N+]BENZENE, 1FZJGZCSV 104 InChI=1/C7610-25-3 11385O=[N+]([O-])c1cc(ccc1C(=O)O2,4-DINIT ZIIGSRYPZ 182 InChI=1/C7610-30-0 11387O=[N+]([O-])c1cc(C)ccc1[N+]1,2-DINO2 INYDMNPN 58.3 InChI=1/C7610-39-9 11390Cc2cccc1cc3ccccc3cc12 1-METHYL KZNJSFHJ 85.5 InChI=1/C1610-48-0 11391Nc2cccc1cc3ccccc3cc12 1-ANTHRAYUENFNPL 116 InChI=1/C1610-49-1 11392O=[N+]([O-])c1ccccc1CC#N BenzeneacetYPRFCQAW 84 InChI=1/C8610-66-2 11395CCOc1ccccc1[N+]([O-])=O Benzene, 1XGLGESCV 2.2 InChI=1/C8610-67-3 11396O=C(C)Oc1ccccc1[N+]([O-])= O-NITROPHMRCKRGSN 40.5 InChI=1/C8610-69-5 11397OC(=O)c1cc(Br)ccc1Br 2,5-DIBRO SQQKOTVD 157 InChI=1/C7610-71-9 11398Cc1ccc(C)cc1C(O)=O Benzoic aciXZRHNAFE 132 InChI=1/C9610-72-0 11399OC(=O)c1ccc(Br)cc1Br 2,4-DIBRO NAGGYODW 174 InChI=1/C7611-00-7 11403Cc1cc(C)ccc1C(O)=O Benzoic aciBKYWPNRO 90 InChI=1/C9611-01-8 11404O=[N+]([O-])c1ccc(Cl)cc1O 5-CHLORO-MZDBQSFP 41 InChI=1/C6611-07-4 11407Cc1ccccc1CC 1-ETHYL-2 HYFLWBNQ -80.8 InChI=1/C9611-14-3 11409Cc1ccccc1C=C O-METHYLNVZWEEGU -68.5 InChI=1/C9611-15-4 11410ClCc1ccccc1Cl Benzene, 1BASMANVI -17 InChI=1/C7611-19-8 11412N#Cc1ccccc1O O-CYANOPCHZCERSE 98 InChI=1/C7611-20-1 11413Cc1cccc2cccnc12 8-METHYLQJRLTTZUO -80 InChI=1/C1611-32-5 11416Nc1cccc2ncccc12 5-AMINOQXMIAFAKR 110 InChI=1/C9611-34-7 11417

ALDRICH (2000Cc1c3ccccc3nc2ccccc12 Acridine, 9FLDRLXJNI 118 InChI=1/C1611-64-3 11419O=C(C(=O)O)c1ccccc1 BENZOYLFOFAQJJMHZ 66 InChI=1/C8611-73-4 11421O=C(N(C)C)c1ccccc1 N,N-DIME IMNDHOCG 44 InChI=1/C9611-74-5 11422CN(C(=O)N(C)c1ccccc1)c2cccUrea, N,N' ADCBKYIH 122 InChI=1/C1611-92-7 11423CC(c1ccccc1)c2ccccc2 1,1-DIPHE BSZXAFXFT -17.9 InChI=1/C1612-00-0 11424O=[N+]([O-])c1ccccc1CCl 2-NITRO-B BXCBUWKT 51 InChI=1/C7612-23-7 11427O=[N+]([O-])c1ccccc1C#N 1-NITRO-2 SWBDKCMO 108 InChI=1/C7612-24-8 11428O=[N+]([O-])c1ccccc1CO 2-NITROBEBWRBVBFL 74 InChI=1/C7612-25-9 11429O=C(O)c2ccccc2Cc1ccccc1 2-(PHENYLFESDHLLVL 118 InChI=1/C1612-35-1 11430Cc1cc2ccccc2nc1 3-METHYLQDTBDAFLS 16.5 InChI=1/C1612-58-8 11432Cc1cc2ncccc2cc1 7-METHYLQKDYVCOSV 39 InChI=1/C1612-60-2 11433Clc1ccc2ccccc2n1 2-CHLORO OFUFXTHG 38 InChI=1/C9612-62-4 11434c1cc(ccc1)c2cc(cc(c2)c3ccccc5'-PHENYL-SXWIAEOZ 176 InChI=1/C2612-71-5 11436Cc1cccc(c1)c2cc(C)ccc2 3,3'-DIME GVEDOIAT 9 InChI=1/C1612-75-9 11437c1cc(cc2ccccc12)c3ccccc3 NAPHTHALETURIHPLQ 103.5 InChI=1/C1612-94-2 11440Cc1ccc2cc3ccccc3cc2c1 2-METHYL GYMFBYTZ 209 InChI=1/C1613-12-7 11442Nc1ccc2cc3ccccc3cc2c1 2-AMINOAYCSBALJA 238.8 InChI=1/C1613-13-8 11443

c1ccc2Cc3ccccc3Cc2c1 9,10-DIH WPDAVTSO 111 InChI=1/C1613-31-0 11446COc1ccc(cc1)c2ccccc2 4-METHOXRHDYQUZY 90 InChI=1/C1613-37-6 11449N#Cc1ccc2ccccc2c1 2-NaphthalAZKDTTQQ 66 InChI=1/C1613-46-7 11450[O-][N+](=O)c1ccc2ncccc2c1 6-NITROQUSMHPLBXI 153.5 InChI=1/C9613-50-3 11451[O-][N+](=O)c1cc2ncccc2cc1 7-NITROQUMXKZSCXY 132.5 InChI=1/C9613-51-4 11452c1cc3ccccc3cc1Cc2ccccc2 NAPHTHALEJASHTKAX 58 InChI=1/C1613-59-2 11454O=C(C#N)c1ccccc1 BenzeneacetGJQBHOAJJ 32.5 InChI=1/C8613-90-1 11459O=C(NC)c1ccccc1 N-METHYLNCCHARWO 82 InChI=1/C8613-93-4 11460O=C(NN)c1ccccc1 BENZOYL HWARCRYXK 115 InChI=1/C7613-94-5 11461O=NN(C)c1ccccc1 N-METHYLMAXCWSIJ 14.7 InChI=1/C7614-00-6 11463O=C(Oc1ccc(C)cc1)c2ccccc2 Benzoic aciLLRZUDIHE 71.5 InChI=1/C1614-34-6 11468CC(C)(C)OOC(=O)c1ccccc1 BENZOYL TGJBRNHKU 8 InChI=1/C1614-45-9 11472

CRC Clc1ccccc1OCC(=O)O O-CHLOROPOPQYFNRL 148.5 InChI=1/C8614-61-9 11475Oc1ccccc1CC(=O)O O-HYDROXYCCVYRRGZ 148 InChI=1/C8614-75-5 11476Oc1ccccc1NC(C)=O O-HYDROXYADVGKWPZ 208 InChI=1/C8614-80-2 11477Nc1cc(N)ccc1OC 2,4 DIAMI BAHPQISAX 67.5 InChI=1/C7615-05-4 11481Cc1cc2ccnc2cc1 5-METHYLIYPKBCLZFI 60 InChI=1/C9614-96-0 11483

ALDRICH (2000Cc1cc2ncnc2cc1 1H-BenzimiRWXZXCZB 115.5 InChI=1/C8614-97-1 11484CCOC(=O)c1ccco1 FUROIC ACINHXSTXWK 34.5 InChI=1/C7614-99-3 11485O=C1Cc2ccccc2C1 2H-Inden-2UMJJFEIKY 59 InChI=1/C9615-13-4 11488Cc1nc2ccccc2n1 2-METHYL LDZYRENC 176.5 InChI=1/C8615-15-6 11489Clc1nc2ccccc2o1 BenzoxazolBBVQDWDB 7 InChI=1/C7615-18-9 11491Clc1nc2ccccc2s1 BenzothiazoBSQLQMLF 24 InChI=1/C7615-20-3 11492CSc1nc2ccccc2s1 2-METHYLTUTBVIMLZI 44 InChI=1/C8615-22-5 11494Ic1ccccc1I 1,2-DIIOD BBOLNFYS 27 InChI=1/C6615-42-9 11499Ic1ccccc1N 2-IODOANIUBPDKIDW 56.5 InChI=1/C6615-43-0 11500Brc1cc(Br)c(Br)cc1 1,2,4-TRI FWAJPSIP 44.5 InChI=1/C6615-54-3 11507Brc1cc(Br)c(N)cc1 2,4-DIBRO DYSRXWYR 79.5 InChI=1/C6615-57-6 11509

CRC Handbook Brc1cc(Br)c(O)cc1 2,4-DIBR FAXWFCTV 38 InChI=1/C6615-58-7 11510Brc1ccc(Br)c(C)c1 Benzene, 1QKEZTJYR 5.6 InChI=1/C7615-59-8 11511Cc1cc(Cl)c(N)cc1 BenzenaminXGYLSRFSX 7 InChI=1/C7615-65-6 11512Cc1ccc(Cl)c(O)c1 PHENOL, 2SMFHPCZZ 45.5 InChI=1/C7615-74-7 11513Cc1ccc(Cl)c(O)c1 5-METHYL SMFHPCZZ 56 InChI=1/C7608-26-4 11513O=C1C=CN(C)C(=O)N1 1-METHYLUXBCXJKGH 237 InChI=1/C5615-77-0 11514S=C(OCC)C(=S)OCC DithiooxaliVZPUGKME 27 InChI=1/C6615-85-0 11515O=C1C=C(C)C(=O)O1 2,5-FurandAYKYXWQE 7.5 InChI=1/C5616-02-4 11517CCC(Cl)CC 3-CHLORO CXQSCYIVC -105 InChI=1/C5616-20-6 11521O=C(OC)OC Carbonic acIEJIGPNLZ 3 InChI=1/C3616-38-6 11526CCN(C)CC EthanamineGNVRJGIV -196 InChI=1/C5616-39-7 11527Cc1ccnc1 3-MethylpyFEKWWZCC -48.4 InChI=1/C5616-43-3 11528O=C1CCCN1 PYRROLID HNJBEVLQ 23 InChI=1/C4616-45-5 11530O=C(Nc1c(C)cc(C)cc1C)CN(CCTRIMECAINGOZBHBFU 44 InChI=1/C1616-68-2 11533

Aldrich (1998) O=C(O)C(Cc1ccccc1)C(=O)O 2-BenzylmaJAEJSNFTJ 121 InChI=1/C1616-75-1 11536O=[N+]([O-])c1cc(ccc1O)C(= 4-HYDROXYQRYSWXFQ 230 InChI=1/C7616-82-0 11538Oc1ccc(cc1OC)C(=O)OCC BENZOIC AMWAYRGBW 44 InChI=1/C1617-05-0 11541

CC(=O)C(=O)OCC Propanoic aXXRCUYVC -50 InChI=1/C5617-35-6 11544CCC(CC)CC 3-ETHYLPEAORMDLNP -118.6 InChI=1/C7617-78-7 11551N#CN(CC)CC DIETHYLC ZZTSQZQU -80.6 InChI=1/C5617-83-4 11553

Kirk-Othmer CC[SiH](CC)CC TRIETHYLS AQRLNPVM -157 InChI=1/C6617-86-7 11555CC(O)(C)c1ccccc1 2-PHENYL BDCFWIDZ 36 InChI=1/C9617-94-7 11556BrC(=O)c1ccccc1 BENZOYL AQIHMSVI -24 InChI=1/C7618-32-6 11559O=S(O)c1ccccc1 BENZENESUJEHKKBHW 84 InChI=1/C6618-41-7 11560CC(=O)N1CCCCC1 Piperidine,KDISMIMT -13.4 InChI=1/C7618-42-8 11561CC(C)c1cc(O)ccc1 M-ISOPRO VLJSLTNSF 26 InChI=1/C9618-45-1 11562OC(=O)c1cc(I)ccc1 3-IODOBENKVBWBCRP 188.3 InChI=1/C7618-51-9 11563Nc1cc(cc(N)c1)C(=O)O Benzoic aciUENRXLSR 228 InChI=1/C7535-87-5 11565Clc1cc(cc(Cl)c1)[N+]([O-])=O BENZENE, RNABGKOK 65.4 InChI=1/C6618-62-2 11567Ic1cc(cc(I)c1O)C(=O)O Benzoic aciXREKTVAC 237 InChI=1/C7618-76-8 11568Clc1cc(cc(Cl)c1O)[N+]([O-])= 2,6-DICHL PXSGFTWB 127 InChI=1/C6618-80-4 11569

CRC HandbookO=[N+]([O-])c1cc(C)cc(c1)[N+3,5-DinitroRUIFULUFL 93 InChI=1/C7618-85-9 11570O=[N+]([O-])c1cc(cc(N)c1)[N+3,5-DINITRMPBZUKLD 163 InChI=1/C6618-87-1 11571Brc1cc(ccc1)C(=O)OC METHYL 3 KMFJVYMF 32 InChI=1/C8618-89-3 11573Cc1ccc(cc1C)C(=O)O 3,4-DimethOPVAJFQB 165 InChI=1/C9619-04-5 11576Cc1cc(ccc1[N+](=O)[O-])[N+]2,5-DINIT KZBOXYKT 52.5 InChI=1/C7619-15-8 11578OC(=O)c1cccc(C=O)c1 4-FORMYLBUHDNUPHS 247 InChI=1/C8619-66-9 11580OC(=O)c1cccc(C=O)c1 3-FORMYLBUHDNUPHS 174 InChI=1/C8619-21-6 11580O=[N+]([O-])c1cc(CCl)ccc1 Benzene, 1-APGGSERF 46 InChI=1/C7619-23-8 11581O=[N+]([O-])c1cc(C#N)ccc1 3-CYANO-1RUSAWEHO 116 InChI=1/C7619-24-9 11582Brc1ccc(cc1)C(=O)OC BENZOIC ACZNGTXVO 81 InChI=1/C8619-42-1 11584Nc1ccc(cc1)C(=O)OC METHYL P LZXXNPOY 110.5 InChI=1/C8619-45-4 11585O=[N+]([O-])c1ccc(cc1)C(=O)METHYL P-YOJAHJGBF 95 InChI=1/C8619-50-1 11586O=C(N)c1ccc(Cl)cc1 4-CHLORO BLNVISNJT 174 InChI=1/C7619-56-7 11587OC(=O)c1ccc(I)cc1 4-IODOBENGHICCUXQ 270 InChI=1/C7619-58-9 11588CCc1ccc(cc1)C(=O)O 4-ETHYLBEZQVKTHRQ 112.5 InChI=1/C9619-64-7 11589O=[N+]([O-])c1ccc(C#N)cc1 1-NITRO-4 NKJIFDNZP 147.5 InChI=1/C7619-72-7 11593O=[N+]([O-])c1ccc(cc1)C(N)= 4-NITROBEZESWUEBP 200 InChI=1/C7619-80-7 11594CN(C)c1ccc(cc1)C(=O)O 4-DIMETHYYDIYEOMD 242.5 InChI=1/C9619-84-1 11595CCOc1ccc(cc1)C(=O)O P-ETHOXYBSHSGDXCJ 198 InChI=1/C9619-86-3 11596ICc1ccccc1 BENZYL IO XJTQJERL 24.5 InChI=1/C7620-05-3 11601Cc1cccc(CC)c1 M-ETHYLT ZLCSFXXP -95.5 InChI=1/C9620-14-4 11603CCc1cc(O)ccc1 M-ETHYLP HMNKTRSO -4 InChI=1/C8620-17-7 11604N#Cc1cccc(C)c1 BenzonitrilBOHCMQZJ -23 InChI=1/C8620-22-4 11607O=C(Nc1ccccc1)CC PROPIONANZTHRQJQJ 105.5 InChI=1/C9620-71-3 11610O=C(Oc1ccccc1)CCl Acetic acidAGUWUIVK 44.5 InChI=1/C8620-73-5 11611[O-][N+](=O)c2ccc(Oc1ccccc14-NITRO D JDTMUJBW 61 InChI=1/C1620-88-2 11613Oc2ccc(Cc1ccc(O)cc1)cc2 4,4'-DIHY PXKLMJQF 162.5 InChI=1/C1620-92-8 11614c1ccccc1Cc2cccnc2 3-BENZYLPUUCLVSDU 34 InChI=1/C1620-95-1 11615O=S(Cc1ccccc1)Cc2ccccc2 Benzene, 1,HTMQZWFS 134 InChI=1/C1621-08-9 11618O=C(Nc1ccccc1)CCCCC CAPRYLANIJBTCHCWU 95 InChI=1/C1621-15-8 11620Oc1cc(CC(=O)O)ccc1 M-HYDROXYFVMDYYGI 132 InChI=1/C8621-37-4 11624

Oc1cccc(NC(C)=O)c1 M-HYDROXQLNWXBAG 147 InChI=1/C8621-42-1 11626O=[N+]([O-])c1cc(CC#N)ccc1 3-NitrophenWAVKEPUF 63 InChI=1/C8621-50-1 11627CCOc1cc(ccc1)C(=O)O 3-EthoxybeDTFQMPQJ 137 InChI=1/C9621-51-2 11628Oc1cc(ccc1OC)C=O ISOVANILL JVTZFYYHC 114 InChI=1/C8621-59-0 11629O=C(CCCCC)OC(COC(=O)CCCTRICAPROIMAYCICSN -60 InChI=1/C2621-70-5 11633c1cccc2nc(nc12)Cc3ccccc3 2-Benzyl b YTLQFZVCL 187 InChI=1/C1621-72-7 11634NC(=O)OCc1ccccc1 O-BENZYL PUJDIJCNW 88 InChI=1/C8621-84-1 11638Nc2ccc(CCc1ccc(N)cc1)cc2 BenzenamineUHNUHZHQ 137 InChI=1/C1621-95-4 11640OC(COc1ccccc1)COc2ccccc2 2-PropanolNKCVHIPHZ 81.5 InChI=1/C1622-04-8 11641O=C(C)OC1CCCCC1 CYCLOHEXYYYLLIJHXU -65 InChI=1/C8622-45-7 11647S=C=N\c1ccc(C)cc1 4-METHYLPABQKHKWX 25.5 InChI=1/C8622-59-3 11650CCOc1ccc(O)cc1 P-ETHOXY LKVFCSWB 66.5 InChI=1/C8622-62-8 11651CCCOc1ccccc1 PHENYLPRODSNYFFJTZ -27 InChI=1/C9622-85-5 11655NNc1ccc(Br)cc1 HYDRAZINENRESDXFF 108 InChI=1/C6589-21-9 11658Cc1ccc(CC)cc1 P-ETHYLTOJRLPEMVD -62.3 InChI=1/C9622-96-8 11660Cc1ccc(C=C)cc1 P-METHYLSJLBJTVDPS -34.1 InChI=1/C9622-97-9 11661N#Cc1ccc(Br)cc1 4-BROMOBHQSCPPCM 114 InChI=1/C7623-00-7 11662N#Cc1ccc(Cl)cc1 BENZONITRGJNGXPDX 95 InChI=1/C7623-03-0 11663ClCc1ccc(CCl)cc1 Benzene, 1ZZHIDJWUJ 100 InChI=1/C8623-25-6 11671N#Cc1ccc(C#N)cc1 1,4-BENZE BHXFKXOI 224 InChI=1/C8623-26-7 11672O=Cc1ccc(C=O)cc1 1,4-BenzenKUCOHFSK 117 InChI=1/C8623-27-8 11673CCCC(=O)OC METHYLBUUUIQMZJE -85.8 InChI=1/C5623-42-7 11680N#N=C\C(=O)OCC DiazoaceticYVPJCJLM -22 InChI=1/C4623-73-4 11692CCNC(=O)NCC UREA, N,N'ZWAVGZYK 112.5 InChI=1/C5623-76-7 11694O=[N+]([O-])OCC(O)CO[N+]([1,2,3-PROPASIGVDLTB 26 InChI=1/C3623-87-0 11700CCCCCCC(=O)CCC 4-DECANOMKJDUHZP -9 InChI=1/C1624-16-8 11703Cc1ccc(I)cc1 Benzene, 1UDHAWRUA 36.5 InChI=1/C7624-31-7 11707Ic1ccc(I)cc1 1,4-DIIOD LFMWZTSO 131.5 InChI=1/C6624-38-4 11708[O-][N+](=O)OCC(O)CO Glycerol, 1HXWLJBVV 61 InChI=1/C3624-43-1 11711O=C(CC)OCCCCC AMYL PROTWSRVQVE -73.1 InChI=1/C8624-54-4 11716ICCI ETHANE, 1,GBBZLMLL 83 InChI=1/C2624-73-7 11723N\C=N\O N-HYDROXIONSZLINW 114.5 InChI=1/CH624-82-8 11726

CRC HandbookC\N=C=O METHYLIS HAMGRBXT -45 InChI=1/C 624-83-9 11727NNC=O N-FORMYLXZBIXDPG 55 InChI=1/CH624-84-0 11728CCSC ETHYL METWXEHBUMA -105.9 InChI=1/C3624-89-5 11729CON=O METHYLNITBLLFVUPN -16 InChI=1/C 624-91-9 11730CSSC DIMETHYLDWQOXQRCZ -85 InChI=1/C2624-92-0 11731CC(C)(C)CCO 3,3-DIMETDUXCSEIS -60 InChI=1/C6624-95-3 11732CC(C)(O)CCCCC 2-METHYL-ACBMYYVZ -50.4 InChI=1/C8625-25-2 11741C/C(C)=C\CC 2-METHYL-JMMZCWZI -135 InChI=1/C6625-27-4 11742CC(C)CC#N BUTANENITQHDRKFYEG -101 InChI=1/C5625-28-5 11743CC(Cl)CCC 2-CHLORO NFRKUDYZ -80 InChI=1/C5625-29-6 11744O=C(O)COC METHOXYACRMIODHQZ 7.7 InChI=1/C3625-45-6 11750[O-][N+](=O)CCO 2-NITROETKIPMDPDAF -80 InChI=1/C2625-48-9 11751NC(=O)NCC ETHYLURE RYECOJGR 92.5 InChI=1/C3625-52-5 11753

CC(C)OC=O ISOPROPYLRMOUBSOV -80 InChI=1/C4625-55-8 11755[O-][N+](=O)OCC ETHYLNITRIDNUEBSJ -94.6 InChI=1/C 625-58-1 11756C\C(C)=C/C(C)C 2-PENTENEVVCFYASO -127.7 InChI=1/C7625-65-0 11757CC(=O)NC(C)=O DIACETAMZSBDPRIWB 79 InChI=1/C4625-77-4 11760CC(C)SC(C)C 2,4-DIMETXYWDPYKB -78.1 InChI=1/C6625-80-9 11761Cc1ccc(C)n1 2,5-DIMETPAPNRQCY 7.7 InChI=1/C6625-84-3 11762Cc1ccc(C)o1 FURAN, 2, GSNUFIFRD -62.8 InChI=1/C6625-86-5 11763Cc1cc(I)ccc1 Benzene, 1VLCPISYUR -27.2 InChI=1/C7625-95-6 11765Ic1cccc(N)c1 BENZENAMIFFCSRWGY 33 InChI=1/C6626-01-7 11768Ic1cccc(O)c1 3-IODOPH FXTKWBZF 118 InChI=1/C6626-02-8 11769Oc1ccnc(O)c1 2,4-Dihydr ZEZJPIDPV 278 InChI=1/C5626-03-9 11770N#Cc1cccc(C#N)c1 1,3-DICYA LAQPNDIU 162 InChI=1/C8626-17-5 11773CC(=O)OC(C)CCC 2-PENTANOGQKZRWSU -100 InChI=1/C7626-38-0 11775Brc1cc(Br)cc(Br)c1 1,3,5-TRI YWDUZLFW 122.8 InChI=1/C6626-39-1 11776Oc1cc(Br)cc(Br)c1 3,5-DIBR PZFMWYNH 81 InChI=1/C6626-41-5 11777Nc1cc(Cl)cc(Cl)c1 3,5-DICHL UQRLKWGP 52 InChI=1/C6626-43-7 11778Ic1cc(I)cc(I)c1 1,3,5-TRI WXLJJIHG 184.2 InChI=1/C6626-44-8 11779CC(CC(O)=O)CC(=O)O 3-MethylgluXJMMNTGI 87 InChI=1/C6626-51-7 11781CC(=O)CC(=O)CC(=O)C 2,4,6-HEP CTHCTLCN 49 InChI=1/C7626-53-9 11782Brc1cccnc1 3-BROMOPNYPYPOZN -27.3 InChI=1/C5626-55-1 11783Clc1ccncc1 4-CHLOROPPVMNPAUT -43.5 InChI=1/C5626-61-9 11785Oc1ccncc1 4-HYDROXYGCNTZFIIO 149.8 InChI=1/C5626-64-2 11787OC(=O)CCC(C)CC(=O)O HEXANEDIOISYEOWUNS 101 InChI=1/C7 1/3/3058 11789O=C(CCCCC)OCCC PROPYL H HTUIWRWY -68.7 InChI=1/C9626-77-7 11790O=C(CCCCC)OCCCC N-BUTYL HRPRPDTXK -64.3 InChI=1/C1626-82-4 11791CCCCC(N)=O PentanamiIPWFJLQD 106 InChI=1/C5626-97-1 11795ClCCCC(=O)O Butanoic acIPLKGJHG 16 InChI=1/C4627-00-9 11797[O-][N+](=O)CCCC 1-NITROB NALZTFARI -81.33 InChI=1/C4627-05-4 11799NC(=O)OCCC O-PROPYL YNTOKMNH 60 InChI=1/C4627-12-3 11803[O-][N+](=O)OCCC 1-PROPYLNJNTOKFNB -100 InChI=1/C3627-13-4 11804CCCC#C 1-PENTYNEIBXNCJKFF -90 InChI=1/C5627-19-0 11806CC#CCC 2-PENTYNENKTDTMON -109.3 InChI=1/C5627-21-4 11807ICCCI PROPANE, AAAXMNYU -20 InChI=1/C3627-31-6 11810C=CSC=C 1,1'-THIOBUIYCHXAG 20 InChI=1/C4627-51-0 11817C=C(C)CCC(=C)C 2,5-DIMETDSAYAFZW -75.6 InChI=1/C8627-58-7 11818O=C(CCCCCCCCCC)OCC ETHYL UN IAFQYUQI -15 InChI=1/C1627-90-7 11822O=C(CCCCC(=O)O)OC HexanedioiUOBSVARX 9 InChI=1/C7627-91-8 11823O=C(CCCCC(=O)OC)OC HEXANEDIOUDSFAEKR 10.3 InChI=1/C8627-93-0 11824CCCCCC(N)=O HexanamidALBYIUDW 101 InChI=1/C6628-02-4 11827CCCCCI 1-IODOPE BLXSFCHW -85.6 InChI=1/C5628-17-1 11830ICCCCI Butane, 1,4ROUYUBHV 5.8 InChI=1/C4628-21-7 11832CCCCOC METHYL N-CXBDYQVE -115.5 InChI=1/C5628-28-4 11833CCCCSC 2-THIAHEXWCXXISMI -97.8 InChI=1/C5628-29-5 11834CCOCCC ETHYL PRONVJUHMXY -127.5 InChI=1/C5628-32-0 11835O=CNNC=O DIFORMYLPOVXOWVF 156 InChI=1/C2628-36-4 11837

C1=CCC=CC1 1,4-CYCLO UVJHQYIO -49.2 InChI=1/C6628-41-1 11838CC(=O)OCCCCC N-AMYL ACPGMYKACG -70.8 InChI=1/C7628-63-7 11843CCCCCC#C 1-HEPTYNEYVXHZKKC -81 InChI=1/C7628-71-7 11845CCCCCC#N HEXANENITAILKHAQX -80.3 InChI=1/C6628-73-9 11846ICCCCCI Pentane, 1,IAEOYUUPF 9 InChI=1/C5628-77-3 11848CCOCCCC BUTYL ETHPZHIWRCQ -124 InChI=1/C6628-81-9 11849C1CC=CCCC1 CYCLOHEPZXIJMRYM -56 InChI=1/C7628-92-2 11857O=C(CCCCCCCCCCCCCCC)OC ETHYL PAL XIRNKXNN 24 InChI=1/C1628-97-7 11860CCCCCCCC(C)O 2-NONANONGDNVOAE -35.5 InChI=1/C9628-99-9 11861BrCCCCCCBr Hexane, 1,SGRHVVLX -2.3 InChI=1/C6629-03-8 11862BrCCCCCCC 1-BROMOHLSXKDWGT -58 InChI=1/C7629-04-9 11863C#CCCCCCC 1-OCTYNE UMIPWJGW -79.3 InChI=1/C8629-05-0 11864CCCCCCCCl 1-CHLORO DZMDPHNG -69.5 InChI=1/C7629-06-1 11865ICCCCCCI Hexane, 1,QLIMAARB 9.5 InChI=1/C6629-09-4 11867CCCSSCCC 4,5-DITHI ALVPFGSH -85.6 InChI=1/C6629-19-6 11871CCCCCCCCI 1-IODOOC UWLHSHAH -45.7 InChI=1/C8629-27-6 11874OCCCCCCCO 1,7-HeptanSXCBDZAE 22.5 InChI=1/C7629-30-1 11875N#CCCCCCCC#N OCTANEDINBTNXBLUG -3.5 InChI=1/C8629-40-3 11879CCCCCCCCCCCCC N-TRIDECAIIYFAKIE -5.3 InChI=1/C1629-50-5 11882CCCCCCCCCCCCCC TETRADEC BGHCVCJV 5.8 InChI=1/C1629-59-4 11883CCCCCCCCCCCCC#N TridecaneniWKJHMKQS 9.7 InChI=1/C1629-60-7 11884CCCCCCCCCCCCCCC N-PENTADYCOZIPAW 9.9 InChI=1/C1629-62-9 11885CC(=O)OCCCCCCCCCCCCCCC 1-HexadecaLSTDYDRC -18.5 InChI=1/C1629-70-9 11887BrCCCCCCCCCCCCCCC 1-BROMOPJKOTZBXSN 19 InChI=1/C1629-72-1 11888CCCCCCCCCCCCCCC=C 1-HEXADE GQEZCXVZ 4.1 InChI=1/C1629-73-2 11889CCCCCCCCCCCCCCC#C 1-HexadecUCIDYSLO 15 InChI=1/C1629-74-3 11890CCCCCCCCCCCCCCCO 1-PENTAD REIUXOLG 45.5 InChI=1/C1629-76-5 11891CCCCCCCCCCCCCCCCC HEPTADECNDJKXXJC 22 InChI=1/C1629-78-7 11892CCCCCCCCOCCCCCCCC Octane, 1,1NKJOXAZJ -7.6 InChI=1/C1629-82-3 11893CCCCCCCCCCCCCCCCCCC NONADECALQERIDTX 32.1 InChI=1/C1629-92-5 11895CCCCCCCCCCCCCCCCCCI 1-IODOOC ZNJOCVLV 34 InChI=1/C1629-93-6 11896CCCCCCCCCCCCCCCCCCCCC HENEICOS FNAZRRHP 40.5 InChI=1/C2629-94-7 11897

CRC HandbookCCCCCCCCCCCCCCCCCCCCO 1-EICOSANBTFJIXJJC 66.1 InChI=1/C2629-96-9 11898CCCCCCCCCCCCCCCCCCCCCCDOCOSANEHOWGUJZV 44.4 InChI=1/C2629-97-0 11899CCCCCCCCCCCCCCCCCCCCCCPENTACOSYKNWIILGE 54 InChI=1/C2629-99-2 11900CCCCCCCCCCCCCCCCCCCCCCHEXACOSAHMSWAIKS 56.4 InChI=1/C2630-01-3 11901CCCCCCCCCCCCCCCCCCCCCCOCTACOSAZYURHZPY 64.5 InChI=1/C2630-02-4 11902CCCCCCCCCCCCCCCCCCCCCCNONACOSAIGGUPRCH 63.7 InChI=1/C2630-03-5 11903CCCCCCCCCCCCCCCCCCCCCCHENTRIAC IUJAMGNY 67.9 InChI=1/C3630-04-6 11904CCCCCCCCCCCCCCCCCCCCCCTRITRIACOSUJUOAZF 72 InChI=1/C3630-05-7 11905CCCCCCCCCCCCCCCCCCCCCCHEXATRIA YDLYQMBW 76.5 InChI=1/C3630-06-8 11906CCCCCCCCCCCCCCCCCCCCCCN-PENTAT VHQQPFLO 75 InChI=1/C3630-07-9 11907CC(C)(C)C#N TRIMETHYLJAMNHZBI 15 InChI=1/C5630-18-2 11909CC(C)(C)C=O PIVALALDEFJJYHTVHB 6 InChI=1/C5630-19-3 11910

CRC ClCC(Cl)(Cl)Cl 1,1,1,2-T QVLAWKAX -70.2 InChI=1/C2630-20-6 11911

c1ccccc1C(c2ccccc2)(c3cccccTetraphen PEQHIRFAK 282 InChI=1/C2630-76-2 11917Daubert & DanCC[Si](CC)(CC)CC TETRAETHYVCZQFJFZ -82.5 InChI=1/C8631-36-7 11919Kirk-Othmer (2BrC(Br)C(=O)O Acetic acidSIEILFNCE 49 InChI=1/C2631-64-1 11926

CN(C)C(=O)NC UREA, TRI COSWCAGT 75.5 InChI=1/C4632-14-4 11928CN(C)C(=O)N(C)C TETRAMETAVQQQNCB -1.2 InChI=1/C5632-22-4 11930OS(=O)(=O)c1ccccc1C(=O)O BENZOIC ACZMPRRFPM 141 InChI=1/C7632-25-7 11931O=C1OC(=O)c2c1c(Br)c(Br)c(4,5,6,7-T QHWKHLYU 275 InChI=1/C8632-79-1 11936O=C3c1ccccc1C(=O)c2c3cccc1-BROMOACXTPIHZYO 186.5 InChI=1/C1632-83-7 11937Nc1ccc(Cl)c(Cl)c1Cl 2,3,4-TRI RRJUYQOF 73 InChI=1/C6634-67-3 11954Ic1ccc(I)c(I)c1I 1,2,3,4-T BHASHBRU 136 InChI=1/C6634-68-4 11955Nc1cc(Cl)c(Cl)c(Cl)c1 3,4,5-TRI XOGYQVIT 99 InChI=1/C6634-91-3 11959Ic1cc(I)c(I)c(I)c1 1,2,3,5-T PPWNVLCS 148 InChI=1/C6634-92-4 11960Clc1cc(Cl)cc(Cl)c1N 2,4,6-TRI NATVSFWW 78.5 InChI=1/C6634-93-5 11961CCN(CC)C(N)=O Urea, N,N-dTUMNHQRO 75 InChI=1/C5634-95-7 11962O=C1OC(=O)C=2CCCCC1=2 4,5,6,7-Te HMMBJOWW 74 InChI=1/C82426-02-0 11965

CRC HandbookO=[N+]([O-])c1cc(N)ccc1Cl BENZENAMIFOHHWGVA 103 InChI=1/C6635-22-3 11967O=C(c1cc(OC)c(OC)c(OC)c1) TrimetozinXWVOEFLB 121 InChI=1/C1635-41-6 11968O=C(C)Oc1ccccc1OC(C)=O 1,2-BENZE FBSAITBE 64.5 InChI=1/C1635-67-6 11969c1ccc(cc1)n2cccc2 PYRROLE, GEZGAZKE 62 InChI=1/C1635-90-5 11970Oc1ccc(Cl)cc1C=O BenzaldehyFUGKCSRL 100.3 InChI=1/C7635-93-8 11971O=C(OCC)c1ccc(cc1)C(=O)OC1,4-BenzeneONIHPYYW 44 InChI=1/C1636-09-9 11972Brc1cc(Br)c(Br)cc1Br 1,2,4,5-T QCKHVNQH 182 InChI=1/C6636-28-2 11974Ic1cc(I)c(I)cc1I 1,2,4,5-T QHODZFPK 254 InChI=1/C6636-31-7 11976Cc1cccn1 2-MethylpyTVCXVUHH -35.6 InChI=1/C5636-41-9 11977OC(=O)c1cc(ccc1O)C(=O)O 4-HydroxyiBCEQKAQC 310 InChI=1/C8636-46-4 11978O=C(OCC)c1cccc(c1)C(=O)OC1,3-BenzeneJLVWYWVL 11.5 InChI=1/C1636-53-3 11979Ic1ccc(cc1)[N+](=O)[O-] Benzene, 1-SCCCFNJTC 174.7 InChI=1/C6636-98-6 11982O=C(Oc1ccccc1)CC Propanoic aDYUMLJSJI 20 InChI=1/C9637-27-4 11984O=C1CCC(=O)CC1 1,4-Cycloh DCZFGQYX 78 InChI=1/C6637-88-7 11995

CRC (2007) CC(C)(C)OCC ETHYL T-B NUMQCACR -94 InChI=1/C6637-92-3 11996CC(I)CCC 2-IODOPE JUPBFIYJ -50 InChI=1/C5637-97-8 11997Cc1ccc(C)s1 2,5-DIMETGWQOOADX -62.6 InChI=1/C6638-02-8 11998CC1NC(C)SC(C)S1 4H-1,3,5-DiFBMVFHKK 46 InChI=1/C6638-17-5 12001CCCCCCI 1-IODOHE ANOOTOPT -74.2 InChI=1/C6638-45-9 12010CCSCCCC ETHYL BUTXJIRSLHM -95.1 InChI=1/C6638-46-0 12011O=COCCCCC Formic acidDIQMPQMY -73.5 InChI=1/C6638-49-3 12012O=C(O)CCCCCCCCCCCC TRIDECANOSZHOJFHSI 44.5 InChI=1/C1638-53-9 12013CCCCCCCCCCCCCCCCCC#N OctadecaneRHSBIGNQE 41 InChI=1/C1638-65-3 12015CCCCCCCCCCCCCCCCCCCCCCTRICOSANEFIGVVZUW 47.6 InChI=1/C2638-67-5 12017CCCCCCCCCCCCCCCCCCCCCCTRIACONT JXTPJDDIC 65.8 InChI=1/C3638-68-6 12018FCC(N)=O FLUOROACFVTWJXMF 108 InChI=1/C2640-19-7 12025Cc1ccc(cc1)S(=O)(=O)NC BENZENESUGWLOGZRV 78.5 InChI=1/C8640-61-9 12026CCC2CCC3C4CCC1CCCCC1(C)PREGNANE, JWMFYGXQ 83.5 InChI=1/C2481-26-5 12029CCC2CCC3C4CCC1CCCCC1(C)AllopregnaJWMFYGXQ 84.5 InChI=1/C2641-85-0 12029c1cccc(c1c2ccccc2)c4ccccc4c1,1':2',1'' YAVCXSHO 118.5 InChI=1/C2641-96-3 12031

O=C1N(CC=C)C(N)=CC(=O)N1AminometrNGXUUAFY 143 InChI=1/C9642-44-4 12033[O-][N+](=O)C(OC(=O)c1cccccDINITROPHGZSYUSWR 172 InChI=1/C8643-43-6 12043Cc2ccccc2c1ccccc1 2-METHYLBALLIZEAXN -0.2 InChI=1/C1643-58-3 12044Cc1cccc(c1)c2ccccc2 3-METHYLBNPDIDUXT 4.5 InChI=1/C1643-93-6 12045Cc1ccc(cc1)c2ccccc2 4-METHYL-ZZLCFHIKE 49.5 InChI=1/C1644-08-6 12047CC(=O)OOC(=O)c1ccccc1 ACETYL BE PDAVOLCV 37 InChI=1/C9644-31-5 12048O=C(SSC(=O)c1ccccc1)c2ccccDISULFIDE,YYWLHHUM 134.5 InChI=1/C1644-32-6 12049Oc1ccccc1CCC O-PROPYL LCHYEKKJC 7 InChI=1/C9644-35-9 12050

Tomlin (2003) O=C(N(C)C)n1nc(OC(=O)N(C)DIMETILANRDBIYWSV 69.5 InChI=1/C1644-64-4 12052ClP(Cl)c1ccccc1 PhosphonouIMDXZWRL -51 InChI=1/C6644-97-3 12053

Aldrich (1998) Oc1cc(ccc1OC)C(=O)O Isovanillic LBKFGYZQ 251.5 InChI=1/C8645-08-9 12055OC(=O)c1ccc(o1)[N+](=O)[O-5-Nitro-2-fIODMEDPP 186 InChI=1/C5645-12-5 12057Oc1ccc(CCC)cc1 4-PROPYLPKLSLBUSX 22 InChI=1/C9645-56-7 12060N#CCCc1ccccc1 BENZYLACEACRWYXSK -1 InChI=1/C9645-59-0 12061

CRC HandbookC1COCO1 1,3-DIOXA WNXJIVFY -95 InChI=1/C3646-06-0 12066CC(C)CCC(=O)O 4-METHYLPFGKJLKRY -33 InChI=1/C6646-07-1 12067N#CCCCCCC#N HEPTANEDILLEVMYXE -31.4 InChI=1/C7646-20-8 12070O=C(O)CCCCCCCCCCCCCCCC NonadecanoISYWECDD 69.4 InChI=1/C1646-30-0 12071CCCCCCCCCCCCCCCCCCCCCCTETRACOS POOSGDOY 54 InChI=1/C2646-31-1 12072Oc3cc4CC=C2C(CCC1(C)C2CCDihydroequNLLMJANW 174.5 InChI=1/C13563-27-7 12075CN(C)C1=NC(=O)C(O1)c2ccccThozalinonJJSHYECKY 134.5 InChI=1/C1655-05-0 12082Nc2ccc1nc3ccccc3nc1c2N 2,3-DIAMI IYQHCPGJ 264 InChI=1/C1655-86-7 12085CCCCCCCF 1-FLUORO BITLXSQYF -73 InChI=1/C7661-11-0 12099

CRC HandbookCCCCCCCCCCCCCCCCCCCCCC1-DocosanoNOPFSRXA 72.5 InChI=1/C2661-19-8 12100O=C(NC1CCCCC1)NS(=O)(=O)cTOLCYCLA RIGBPMDIG 175 InChI=1/C1664-95-9 12107N#C\C(C#N)=C(/C#N)C#N EthenetetraNLDYACGH 199 InChI=1/C6670-54-2 12114

ALDRICH (2000COC=1C=C(C)OC(=O)C=1 2H-Pyran-2MTZAUZNQ 86 InChI=1/C7672-89-9 12130O=C1CCCCCCN1 2-AZACYC CJYXCQLO 36.5 InChI=1/C7673-66-5 12136C=C1CC(=O)O1 DIKETENE WASQWSOJ -6.5 InChI=1/C4674-82-8 12140CC1=CC(C)=CC(=O)O1 2H-Pyran-2IXYLIUKQ 51.5 InChI=1/C7675-09-2 12141

Kirk-Othmer 1 Fc1nc(F)nc(F)n1 2,4,6-Trifl VMKJWLXV -38 InChI=1/C3675-14-9 12143O=C1CCCCN1 DELTA-VA XUWHAWME 39.5 InChI=1/C5675-20-7 12144

Aldrich (1998) CP(Cl)(Cl)=O Methyl phoSCLFRABID 36 InChI=1/CH676-97-1 12150FC(F)(C(F)(F)C(F)(F)F)C(F)(F)CPENTANE, NJCBUSHG -100 InChI=1/C5678-26-2 12154CN(C)P(=O)(N(C)C)N(C)C HEXAMETHGNOIPBMM 7.2 InChI=1/C6680-31-9 12158CC(C)(CCC(O)=O)C(=O)O GLUTARIC ABTUDGPVT 84 InChI=1/C7681-57-2 12160

CRC CO[Si](OC)(OC)OC TetramethoLFQCEHFD -2 InChI=1/C4681-84-5 12161ClC(Cl)C(N)=O ACETAMIDEWCGGWVOV 99.4 InChI=1/C2683-72-7 12173O=C(O)CN(O)C=O Hadacidin URJHVPKU 119.5 InChI=1/C3689-13-4 12194

BEYERLEIN,AL EFC(F)(F)CC(F)(F)F HFC-236fa NSGXIBWM -94.2 InChI=1/C3690-39-1 12199CC(C)CC=C 4-METHYL-WSSSPWUE -153.6 InChI=1/C6691-37-2 12201O=C(CCCCCCCCC=C)OCC 10-UndecenoFXNFFCMIT -38 InChI=1/C1692-86-4 12206C#CCCCC 1-HEXYNE CGHIBGNX -131.9 InChI=1/C6693-02-7 12209O=C(O)CCCCCCCCCCC(=O)O DodecanediTVIDDXQY 128 InChI=1/C1693-23-2 12213

ALDRICH (2000O=C(OCCCCCCCCCCCCCCCCCDistearyl t PWWSSIYV 66 InChI=1/C4693-36-7 12215

CC(=O)CCCCCCCC 2-DECANOZAJNGDIO 14 InChI=1/C1693-54-9 12218CCCCCOCCCCC DI-N-PENTAOPDRZXC -69 InChI=1/C1693-65-2 12220BrCCCCCCCCCCC 1-BROMOUIKPSIIAXI -9 InChI=1/C1693-67-4 12221CC1=CCCC1 CYCLOPENTATQUFXWB -126.5 InChI=1/C6693-89-0 12222

CRC Cc1nccn1 1H-IMIDAZLXBGSDVW 144 InChI=1/C4693-98-1 12225C1C=CCCN1 PYRIDINE, FTAHXMZR -48 InChI=1/C5694-05-3 12226[O-][n+]1ccccc1 PYRIDINE, ILVXOBCQ 65.5 InChI=1/C5694-59-7 12229Clc1ccccc1Br 2-BROMOCQBELEDRH -12.3 InChI=1/C6694-80-4 12230O=C1C=CC=CN1C 2(1H)-PYR DVVGIUUJY 31 InChI=1/C6694-85-9 12231O=C1CCC(CC)O1 2(3H)-FuraJBFHTYHT -18 InChI=1/C6695-06-7 12232[O-][N+](=O)c1cnc(C)n1 2-METHYL-FFYTTYVS 253 InChI=1/C488054-22-2 12236CC(C)C1CCCCC1 ISOPROPY GWESVXSM -89.4 InChI=1/C9696-29-7 12239OC1CCCCCCC1 CyclooctanFHADSMKO 25.1 InChI=1/C8696-71-9 12241FC1=C(F)C(F)(F)C1(F)F CYCLOBUTEQVHWOZCZ -60 InChI=1/C4697-11-0 12242Cc1cc(C)cc(O)c1C 2,3,5-TRI OGRAOKJK 93.5 InChI=1/C9697-82-5 12244

ALDRICH (2000O=C1C=C(Cl)C(=O)C(Cl)=C1 2,6-Dichlo JCARTGJG 123 InChI=1/C6697-91-6 12246O=Cc1ccc(o1)[N+](=O)[O-] 5-NITRO-2 SXINBFXPA 35.5 InChI=1/C5698-63-5 12249CCc1cc(C)cc(O)c1 3-ETHYL-5 XTCHLXAB 51.6 InChI=1/C9698-71-5 12250Cc1cc(C)c(C)c(C)c1C PENTAMETBEZDDPMM 54.5 InChI=1/C1700-12-9 12259O=[N+]([O-])c1ccc(C)cc1O 5-METHYL-NQXUSSVL 53 InChI=1/C7700-38-9 12263CCC1(CC)COC(=O)NC1=O DiethadionORTYMGHC 97.5 InChI=1/C8702-54-5 12271CC(=O)c2cnc1ccccc12 ETHANONE, VUIMBZIZZ 192.3 InChI=1/C1703-80-0 12275ClC1(Cl)C(Cl)=C(Cl)C(Cl)(Cl)C1OCTACHLODMZRCHJV 40 InChI=1/C5706-78-5 12286FC1(F)C(Cl)=C(Cl)C(F)(F)C1(F)CyclopentenABPBVCKG -105.8 InChI=1/C5706-79-6 12287O=Cc1c2ccccc2ccc1O 1-NaphthalNTCCNERM 83 InChI=1/C1708-06-5 12291

ALDRICH (2000O=C(c1ccccc1)C2CCCCC2 CyclohexylBMFYCFSW 56 InChI=1/C1712-50-5 12307ALDRICH (2000[O-][N+](=O)c1cc2OCOc2cc1 6-Nitropip NRZWECOR 93.5 InChI=1/C8712-97-0 12310ALDRICH (2000O=C1CCCC(CCCCCCC)O1 delta-DodeQRPLZGZH -12 InChI=1/C1713-95-1 12314

CC(C)c1cc(cc(c1)C(C)C)C(C)C 1,3,5-TRI VUMCUSHV -7.4 InChI=1/C1717-74-8 12329CC(C)(C)C1=CC(=O)C=C(C1=O)2,6-BIS(T- RDQSIADL 66 InChI=1/C1719-22-2 12336Nc2ccc(Cl)cc2C(=O)c1ccccc1 2-Amino-5ZUWXHHBR 99 InChI=1/C1719-59-5 12339

ALDRICH (2000c1ccc(cc1)c2nnc(o2)c3ccccc31,3,4-OxadiDCJKUXYSY 139 InChI=1/C1725-12-2 12355ALDRICH (2000FC(F)(F)c1cc(cc(c1)C(F)(F)F) Benzoic aciHVFQJWGY 92.5 InChI=1/C9725-89-3 12356

Cc2nc(NS(=O)(=O)c1ccc(N)ccSulfamoxolCYFLXLSB 193 InChI=1/C1729-99-7 12361[O-][N+](=O)c2ccc(/N=N/c1cc4-((4-NIT UNBOSJFEZ 215 InChI=1/C1730-40-5 12362CN(C)S(=O)(=O)N(SC(Cl)(Cl)F)TOLYFLUANHYVWIQDY 96 InChI=1/C1731-27-1 12364COP(=S)(OC)SCN2C(=O)c1cc PHOSMET LMNZTLDV 72 InChI=1/C1732-11-6 12367

CRC (2008) CC(C)(C)c1cc(cc(c1O)C(C)(C)C2,4,6-TRI( PFEFOYRS 131 InChI=1/C1732-26-3 12368O=S(=O)(NCCSP(=S)(OC(C)C)OBENSULIDERRNIZKPFK 34.4 InChI=1/C1741-58-2 12397CC(C)(C)CCl Propane, 1JEKYMVBQ -20 InChI=1/C5753-89-9 12416

CRC HandbookCCOP(=O)(OP(=O)(OP(=O)(O HEXAETHYLDAJYZXUX -40 InChI=1/C1757-58-4 12420CN(C)C(=O)CC PROPANAMIMBHINSUL -45 InChI=1/C5758-96-3 12425C=CC(C)CC 3-METHYL-LDTAOIUH -153 InChI=1/C6760-20-3 12429C=C(CC)CC 2-ETHYL-1 RYKZRKKE -131.5 InChI=1/C6760-21-4 12430C=CC(Cl)CCl 3,4-DICHL XVEASTGL -61 InChI=1/C4760-23-6 12431

O=C(O)C(CCCCCCCC)C(=O)O OCTYLMALOQJGNSTCI 116 InChI=1/C1760-55-4 12432CN(C)C(=O)CCC ButanamideVIJUZNJJL -40 InChI=1/C6760-79-2 12433ClCCF 1-Chloro-2VEZJSKSPV -50 InChI=1/C2762-50-5 12443CC(C)(C)CC=C 1-PENTENEKLCNJIQZX -136.6 InChI=1/C7762-62-9 12444C=C(C)CCC 2-METHYL-WWUVJRUL -135.7 InChI=1/C6763-29-1 12446CC#CCO 2-Butyn-1-NEEDEQSZ -2.2 InChI=1/C4764-01-2 12450CCCCCCCCC#C 1-Decyne ILLHQJIJC -44 InChI=1/C1764-93-2 12456C=COCCCCCCCCCC Decane, 1-NSOAQRML -41 InChI=1/C1765-05-9 12458BrCCCCCCCCCCCCC 1-BROMO-BFDNZQUB 6.2 InChI=1/C1765-09-3 12459C#CCCCCCCCCCCCCCCCCCC 1-EICOSYNBUSHLWVW 36 InChI=1/C2765-27-5 12460CC(=O)C1CC1 CYCLOPROPHVCFCNAI -68.3 InChI=1/C5765-43-5 12463O=C1CCCCC1=O 1,2-Cycloh OILAIQUE 40 InChI=1/C6765-87-7 12465O=C1OC(=O)C(C)=C1C 2,5-FurandMFGALGYV 96 InChI=1/C6766-39-2 12469N#Cc1cc(Cl)ccc1 3-CHLOROBWBUOVKBZ 41 InChI=1/C7766-84-7 12474CSCc1ccccc1 Benzene, OFQPKKGM -30 InChI=1/C8766-92-7 12475O=CNC1CCCCC1 FORMAMIDESWGXDLRC 39.5 InChI=1/C7766-93-8 12476N#Cc1ccc(O)cc1 P-CYANOP CVNOWLNN 111.5 InChI=1/C7767-00-0 12478Cc1cc(C)nc(N)n1 2-AMINO-4IDQNBVFP 152 InChI=1/C6767-15-7 12480CC(C)Nc1ccccc1 BenzenaminFRCFWPVM -10 InChI=1/C9768-52-5 12490C=CCCc1ccccc1 BENZENE, PBGVMIDT -70 InChI=1/C1768-56-9 12491CC1(C)CCCC(C)(C)N1 PIPERIDINERKMGAJGJI 28 InChI=1/C9768-66-1 12493Cc1cc(C)cc(C)c1C=C BENZENE, PDELBHCV -37 InChI=1/C1769-25-5 12494Fc1c(F)c(F)c(F)c(O)c1F PENTAFLU XBNGYFFA 32.8 InChI=1/C6771-61-9 12499Fc1c(F)c(F)c(F)c(S)c1F PentafluorUVAMFBJP -24 InChI=1/C6771-62-0 12500c1cc(ccc1)C=2CCCCC=2 1-PhenylcyWCMSFBRR -11 InChI=1/C1771-98-2 12501

ALDRICH (2000Cc1cc(C)cc(C)c1S(=O)(Cl)=O BenzenesulfPVJZBZSC 56 InChI=1/C9773-64-8 12504OC(C(=O)OCC)c1ccccc1 MANDELIC SAXHIDRU 35 InChI=1/C1774-40-3 12508c1ccc2CCc3ccccc3c2c1 9,10-DIH XXPBFNVKT 34.5 InChI=1/C1776-35-2 12515CC(C)(c1ccccc1)c2ccccc2 BENZENE, 1MILSYCKG 29 InChI=1/C1778-22-3 12521

ALDRICH (2000O=C(OCC)Cc2cnc1ccccc12 Indole-3-acHUDBDWIQ 44.5 InChI=1/C1778-82-5 12523Cc2c3ccccc3cc1ccccc12 9-METHYL CPGPAVAK 81.5 InChI=1/C1779-02-2 12524Cc2c1ccccc1c(C)c3ccccc23 9,10-DIMEJTGMTYWY 183 InChI=1/C1781-43-1 12532c1cccc3c1c2ccccc2C3c4ccccc9-PHENYL-ZJQCOVBA 147 InChI=1/C1789-24-2 12545O=P(c1ccccc1)(c2ccccc2)c3ccTRIPHENYLFIQMHBFV 156.5 InChI=1/C1791-28-6 12549Fc1ccc(cc1)C(=O)CCCN2CCC(AceperoneVDGZERMD 98.5 InChI=1/C2807-31-8 12570FCC(F)(F)F 1,1,1,2-T LVGUZGTV -101 InChI=1/C2811-97-2 12577CC(Cl)C(Cl)(Cl)Cl Propane, 1,FEKGWIHD -64 InChI=1/C3812-03-3 12579CCCCP(=O)(CCCC)CCCC Tributylph MNZAKDO 64 InChI=1/C1814-29-9 12586C=C(C)C(C)=O 3-Buten-2-ZGHFDIIVV -54 InChI=1/C5814-78-8 12591CC(C)(C)C(=O)C(=O)O Butanoic acIAWVHZJZ 90.5 InChI=1/C6815-17-8 12598CC(C)(C)C(=O)C(C)(C)C 3-PENTANOUIQGEWJE -25.2 InChI=1/C9815-24-7 12600CCCCCCCC(=O)CCCCCCC 8-PENTAD PQYGSSYFJ 43 InChI=1/C1818-23-5 12609O=C(CCCC(=O)OCC)OCC DIETHYL G OUWSNHWQ -24.1 InChI=1/C9818-38-2 12610O=C(O)CCCCCCCCCCCCC(=O)1,12-DodecHQHCYKUL 127 InChI=1/C1821-38-5 12630CCCCCCCC(C)=O 2-NONANOVKCYHJWL -7.5 InChI=1/C9821-55-6 12632

C=CCCCCCCCCC UNDECENE (DCTOHCCU -77 InChI=1/C128761-27-5 12635C=CCCCCCCCCC 1-UNDECE DCTOHCCU -49.2 InChI=1/C1821-95-4 12635O=C=N/CCCCCC\N=C=O HEXAMETHYRRAMGCGO -67 InChI=1/C8822-06-0 12637

CRC Cc1cncn1 1H-IMIDAZXLSZMDLNR 56 InChI=1/C4822-36-6 12640ALDRICH (2000S=C1SCCS1 1,3-Dithiol XCWPBWWT 35 InChI=1/C3822-38-8 12641

ClC1CCCCC1Cl CYCLOHEXANGZEZIBFVJ -1.5 InChI=1/C610498-35-8 12647O=C1CCCCC1Cl CyclohexanCCHNWURR 23 InChI=1/C6822-87-7 12648Nc1cccc(N)c1C 2,6-DIAMI RLYCRLGL 106 InChI=1/C7823-40-5 12650CCC12COP(OC1)OC2 2,6,7-TrioxQRUSNTDX 53.7 InChI=1/C6824-11-3 12655O=C1CC(C)(C)NC(C)(C)C1 4-PiperidinJWUXJYZVK 36 InChI=1/C9826-36-8 12665O=C1OC(=O)C3C1C2CC3C=C2Carbic anhKNDQHSIWL 164.5 InChI=1/C9129-64-6 12668Oc1cccc2ccc(C)nc12 2-METHYL NBYLBWHH 73.8 InChI=1/C1826-81-3 12669CN1C(=O)N(C)C(=O)N(C)C1= 1,3,5-TRIA AHWDQDMG 176.5 InChI=1/C6827-16-7 12670c1cc(ccc1)C2CCCCC2 PHENYL CYIGARGHRY 7.3 InChI=1/C1827-52-1 12674C=Cc1ccc2ccccc2c1 NAPHTHALEKXYAVSFO 66 InChI=1/C1827-54-3 12675

ALDRICH (2000Brc1cc(cc(Br)c1N)[N+]([O-])=2,6-DibromYMZIFDLW 207 InChI=1/C6827-94-1 12676ALDRICH (2000O=C(O)C13CC2CC(CC(C1)C2) AdamantaneJIMXXGFJ 174.5 InChI=1/C1828-51-3 12680ALDRICH (2000Fc1c(F)c(F)c(F)c(F)c1NN HYDRAZINEBYCUWCJU 75 InChI=1/C6828-73-9 12681

O=C(C)Oc1ccc(cc1)[N+]([O-])P-NITROPHQAUUDNIG 78 InChI=1/C8830-03-5 12687CC(=O)Oc2cccc1ccccc12 1-ACETOX VGKONPUV 44.5 InChI=1/C1830-81-9 12691Clc2ccc(Cc1ccccc1)cc2 (4-Benzyl) NPOGRKGI 7.5 InChI=1/C1831-81-2 12695Oc2ccc(Oc1ccccc1)cc2 PHENOL, 4ZSBDGXGIC 84 InChI=1/C1831-82-3 12696C(Sc1ccccc1)c2ccccc2 BENZYL PHLKMCJXXO 43.5 InChI=1/C1831-91-4 12697Cc3cccc2ccc1ccccc1c23 PHENANTHRLOCGAKKL 53.5 InChI=1/C1832-64-4 12698Cc3cccc2c3ccc1ccccc12 1-METHYL DOWJXOHB 123 InChI=1/C1832-69-9 12699Cc2ccc3ccc1ccccc1c3c2 3-METHYL GKYWZUBZ 65 InChI=1/C1832-71-3 12700

CRC HandbookCSc1nc(NCC)nc(NC(C)C)n1 AMETRYNERQVYBGPQ 88 InChI=1/C9834-12-8 12705[O-][N+](=O)c2ccc(Nc1ccccc14-NITRO-NXXYMSQQC 135.3 InChI=1/C1836-30-6 12712

ALDRICH (2000O=[N+]([O-])c1ccc(cc1)C(=O BenzenepropNGRXSVFC 72 InChI=1/C1838-57-3 12721OP(=O)(Oc1ccccc1)Oc2ccccc DIPHENYL ASMQGLC 67.5 InChI=1/C1838-85-7 12722

US EPA (1974ACSc1nc(NCCCOC)nc(NCCCOC)2,4-Bis((3 FBMDQVBG 55 InChI=1/C1845-52-3 12741Clc3ccccc3C2=NC(O)C(=O)N(CLormetazeFJIKWRGC 206 InChI=1/C1848-75-9 12750O=C1C=C2CCC3C4CCC(O)(CC=AltrenogesVWAUPFMB 120 InChI=1/C2850-52-2 12759Nc1ccc(cc1)S(=O)(=O)Nc3cc( SulfazametMTERSQYM 195 InChI=1/C1852-19-7 12761N#CC(\C#N)=C(/N)CC#N 1-PROPENEBNHGNFYP 171.5 InChI=1/C6868-54-2 12787

Cohen,B ET AL CCN(CC)CCCl N,N-DiethyYMDNODNL 210.5 InChI=1/C6100-35-6 12794CC(C)CCCCCCC 2-METHYL SGVYKUFIH -74.6 InChI=1/C1871-83-0 12807CCCCCCCCC=C DECENE (MiAFFLGGQV -94 InChI=1/C125339-53-1 12809CCCCCCCCC=C 1-DECENE AFFLGGQV -66.3 InChI=1/C1872-05-9 12809CCCCCSCCCCC PENTANE, 1JOZDADPM -51.3 InChI=1/C1872-10-6 12810O=C1CCCN1C N-METHYLSECXISVL -24 InChI=1/C5872-50-4 12814N#Cc1ccccc1Cl BenzonitrilNHWQMJMI 46.3 InChI=1/C7873-32-5 12818N#Cc1cc(O)ccc1 M-CYANOPSGHBRHKB 80 InChI=1/C7873-62-1 12821N#Cc1ccc(N)cc1 P-AMINOBEYBAZINRZ 84 InChI=1/C7873-74-5 12822OCc1ccc(Cl)cc1 P-CHLOROBPTHGDVCP 75 InChI=1/C7873-76-7 12823

Cc1cc(C)ccc1CC 1,3-DIMETMEMBJMDZ -62.9 InChI=1/C1874-41-9 12829O=Cc1ccc(Cl)cc1Cl 2,4-Dichlo YSFBEAAS 72 InChI=1/C7874-42-0 12830Cc1ccc(cc1)C(=O)Cl Benzoyl chlNQUVCRCC -3 InChI=1/C8874-60-2 12831CCCSc1ccccc1 BENZENE, NWYDLOBJ -45 InChI=1/C9874-79-3 12833Cc2cc1ccccc1n2C 1,2-DIMETBJMUOUXG 56.5 InChI=1/C1875-79-6 12834Clc1c(C)c(Cl)c(Cl)c(Cl)c1Cl 2,3,4,5,6 AVSIMRGR 224.8 InChI=1/C7877-11-2 12838Cc1ccc2nc(C)ccc2c1 2,6-DIMETJJPSZKIO 60 InChI=1/C1877-43-0 12840[O-][N+](=O)c2c(C)ccc1ccccc NaphthalenIZNWACYOI 81.5 InChI=1/C1881-03-8 12857[O-][N+](=O)c1cccc2ccc(C)ncQUINOLINEUHPGVDHX 140 InChI=1/C1881-07-2 12858S(Sc1ccccc1)c2ccccc2 DIPHENYL GUUVPOWQ 62 InChI=1/C1882-33-7 12861c1cccc2sc(nc12)c3ccccc3 2-PHENYLBXBHOUXSG 115 InChI=1/C1883-93-2 12864CSc1nc(NCC)nc(NC(C)(C)C)n1TERBUTRY IROINLKCQ 104 InChI=1/C1886-50-0 12874C#CC(C)(C)C 1-BUTYNE,PPWNCLVN -78.2 InChI=1/C6917-92-0 12924C=C(C)C(Cl)=O METHACRYLVHRYZQNG -60 InChI=1/C4920-46-7 12940FC(F)(F)C(O)C(F)(F)F 1,1,1,3,3 BYEAHWXP -4 InChI=1/C3920-66-1 12941C=CC(=O)NCO N-(HydroxyCNCOEDDP 74.5 InChI=1/C4924-42-5 12955C\C(C)=C/C(=O)OC 2-Butenoic FZIBCCGG 114 InChI=1/C6924-50-5 12958O=C(CCC(=O)OCCC)OCCC BUTANEDIOSZHZCPHK -5.9 InChI=1/C1925-15-5 12961CC(C)OC=C Propane, 2GNUGVECA -140 InChI=1/C5926-65-8 12969CCCCCC(=O)CCCCC 6-UNDECAZPQAKYPO 14.5 InChI=1/C1927-49-1 12972C#CCCO 3-Butyn-1-OTJZCIYG -63.6 InChI=1/C4927-74-2 12977CCC#CCC 3-Hexyne DQQNMIPX -103 InChI=1/C6928-49-4 12979CCCCCCCC(=O)CC 3-DECANOXJLDYKIEU 2.5 InChI=1/C1928-80-3 12987CCCCCCCCCCCCN N-DODECYJRBPAEWT 28.3 InChI=1/C1124-22-1 12994

LIDE,DR ET AL.CCCCCCCCCCCCN 1-DodecanaJRBPAEWT 69.5 InChI=1/C12016-56-0 12994O=C(CCCCCCCCCCCCCCCCCCDocosanoicQSQLTHHM 54 InChI=1/C2929-77-1 12995C=COCCCCCCCCCCCCCCCCCCOctadecaneQJJDJWUC 30 InChI=1/C2930-02-9 12996C=CC1CO1 Oxirane, etGXBYFVGC -135 InChI=1/C4930-22-3 12997O=C1C=CCCC1 2-CYCLOHEFWFSEYBS -53 InChI=1/C6930-68-7 13005OC1CCCCC1O 1,2-CYCLO PFURGBBH 100 InChI=1/C61792-81-0 13012OC1CCCCC1O 1,2-CYCLO PFURGBBH 102.5 InChI=1/C61460-57-7 13012[O-][n+]1ccccc1C 2-METHYL-CFZKDDTW 49 InChI=1/C6931-19-1 13013COC1CCCCC1 CYCLOHEXAGHDIHPNJ -74.4 InChI=1/C7931-56-6 13018N#CC1(O)CCCCC1 CyclohexanZDBRPNZO 35 InChI=1/C7931-97-5 13021CC(=O)C=1CCCCC=1 ETHANONE,LTYLUDGD 73 InChI=1/C8932-66-1 13023Oc1c(Cl)ccc(Cl)c1Cl 2,3,6-TRI XGCHAIDD 58 InChI=1/C6933-75-5 13029Oc1cc(Cl)cc(Cl)c1Cl 2,3,5-TRI WWGQHTJI 62 InChI=1/C6933-78-8 13030CCc1cccc(C)c1C 1,2-DIMETQUBBAXIS -49.5 InChI=1/C1933-98-2 13032COc1cccc(O)c1O 1,2-BENZE LPYUENQF 42.8 InChI=1/C7934-00-9 13033Nc1nc2ccccc2n1 2-AMINOBJWYUFVNJ 230 InChI=1/C7934-32-7 13035Oc1nc2ccccc2s1 S-ORTHOPYEDUAINPP 139 InChI=1/C7934-34-9 13036Cc1cc(C)cc(CC)c1 1,3-DIMETLMAUULKN -84.3 InChI=1/C1934-74-7 13038Cc1ccc(CC)cc1C 4-ETHYL-1 SBUYFICW -66.9 InChI=1/C1934-80-5 13040O=C1CCCCCCCN1 2-AZACYC YDLSUFFX 78 InChI=1/C8935-30-8 13043Oc1c(Cl)c(Cl)cc(Cl)c1Cl 2,3,5,6-T KEWNKZNZ 115 InChI=1/C6935-95-5 13047

O=C(NN)c1ccccc1O BENZOYLHYXSXYESVZD 148.5 InChI=1/C7936-02-7 13048ALDRICH (2000c1ccc(cc1)C2=NCCN2 2-Phenyl-2BKCCAYLNR 96.5 InChI=1/C9936-49-2 13050

CCc1ccc(cc1)C(C)=O 4-ETHYLA NODGRWCM -20.6 InChI=1/C1937-30-4 13053Nc1c2ccccc2ccc1N 1,2-DiaminNTNWKDHZ 98.5 InChI=1/C1938-25-0 13059Clc1c(cc(Cl)c(Cl)c1Cl)OC 2,3,4,5-T FUUHMSUP 84 InChI=1/C7938-86-3 13060

LIDE,DR ET AL.OC1=Cc2ccccc2OC1=O 2H-1-BenzoMJKVTPMW 154 InChI=1/C9939-19-5 13061c1cc(ccc1)c2ccncc2 4-PHENYLPJVZRCNQL 77.5 InChI=1/C1939-23-1 13062CCc1ccc2ccccc2c1 2-ETHYLN RJTJVVYS -7.4 InChI=1/C1939-27-5 13063

ALDRICH (2000O=[N+]([O-])c1cc(ccc1Cl)C#NBenzonitrilXBLPHYSL 99 InChI=1/C7939-80-0 13066ALDRICH (2000CC(Oc1ccccc1)C(=O)O 2-PhenoxypSXERGJJQS 117.5 InChI=1/C9940-31-8 13069

O=C2C=CC(=O)N2c1ccccc1 1H-PYRROLHIDBROSJ 90.5 InChI=1/C1941-69-5 13073CC(=O)c2cccc1ccccc12 ALPHA-NAPQQLIGMAS 34 InChI=1/C1941-98-0 13074C2CCCc3nc1ccccc1c23 1H-CARBAZXKLNOVWD 120 InChI=1/C1942-01-8 13075Clc1c(OC)c(OC)c(Cl)c(Cl)c1Cl Benzene, 1NCYHCGGU 90 InChI=1/C8944-61-6 13088O=S(c1ccccc1)c2ccccc2 DIPHENYL JJHHIJFTH 71.2 InChI=1/C1945-51-7 13090O=P(OCC)(/N=C1\SCCS1)OCCCYOLANE ILBONRFSL 41 InChI=1/C7947-02-4 13098O=C1CCCCCCCCCCCN1 AZACYCLOTJHWNWJKB 151.5 InChI=1/C1947-04-6 13099Nc2cc3ccccc3c1ccccc12 9-PHENANKIHQWOBU 138.3 InChI=1/C1947-73-9 13102c1cccc3c1cc(c2ccccc2)n3 1H-Indole, KLLLJCACI 190.5 InChI=1/C1948-65-2 13105O=C1SC(=NN1CSP(=S)(OC)OCMETHIDATMEBQXILR 39 InChI=1/C6950-37-8 13115[O-][N+](=O)c2ccc(Sc1ccccc1BENZENE, RJCBYBQJV 56 InChI=1/C1952-97-6 13125O=C(C(c1ccccc1)c2ccccc2)N( DIPHENAMQAHFOPIIL 135 InChI=1/C1957-51-7 13133CCC(C(=O)O)c1ccc(cc1)c2ccc Xenbucin IYEPZNKOJ 124 InChI=1/C1959-10-4 13142[O-][N+](=O)c2ccc(Nc1ccccc12,4-DINIT RHTVQEPJ 159 InChI=1/C1961-68-2 13153O=S(=O)(Nc1ccc(OCC)nn1)c2cSULFAETH FFJIWWBSB 183 InChI=1/C1963-14-4 13158Cc1c3ccc4ccccc4c3nc2ccc(C)7,9-DIMETHEFJMRLD 159 InChI=1/C1963-89-3 13160

Lewis, RJ (2000OC(C(=O)OCCN(C)C)(c1ccccc1Benzacine BUEPKUNN 187 InChI=1/C171-79-4 13171CC(CC)c1cc(cc([N+]([O-])=O) DINOBUTOHDWLUGYO 61 InChI=1/C1973-21-7 13186CC(=O)OCOC(=O)C2N3C(=O)C(PenamecillNLOOMWLT 107 InChI=1/C1983-85-7 13198FC(F)(F)C3CC2C(CCC1(C)C2C FlumedroxoMXZYUFNIL 206.5 InChI=1/C2987-18-8 13204CP(=O)(O)O METHYLPHYACKEPLH 108.5 InChI=1/CH993-13-5 13220

Kirk-Othmer CCO[SiH](OCC)OCC TriethoxysiQQQSFSZA -170 InChI=1/C6998-30-1 13230CCCCCCCCCCCl 1-CHLORO ZTEHOZMY -31.3 InChI=1/C11002-69-3 13248O=C(O)CCCCCCCCCCCCCC PENTADECAWQEPLUUG 52.3 InChI=1/C11002-84-2 13249O=Cc1cccn1 PYRROLE-2ZSKGQVFRT 46.5 InChI=1/C51003-29-8 13254[O-][n+]1ccc(C)cc1 4-METHYL-IWYYIZOH 39 InChI=1/C61003-67-4 13257[O-][n+]1cccc(C)c1 3-METHYL-DMGGLIWG 39 InChI=1/C61003-73-2 13258CC1=CC(=O)C=C(C)O1 GAMMA-2,VSYFZULSK 132 InChI=1/C71004-36-0 13262Nc1cc(N)nc(N)n1 2,4,6-PYR JTTIOYHBN 250 InChI=1/C41004-38-2 13263Cc1c(Cl)c(Cl)cc(Cl)c1Cl 2,3,5,6-T ZOXPZFFPP 93.5 InChI=1/C71006-31-1 13270COc1cc2ccnc2cc1 5-METHOXDWAQDRSO 57 InChI=1/C91006-94-6 13272

LIDE,DR ET AL.Clc1cc2nc(C)sc2cc1 BenzothiazXCALAYIRF 69 InChI=1/C81006-99-1 13273ALDRICH (2000O=C1CCC(O1)c2ccccc2 2(3H)-FuraAEUULUME 36.5 InChI=1/C11008-76-0 13283

c1cc(ccc1)c2cccnc2 3-PHENYLPHJKGBRPN 164 InChI=1/C11008-88-4 13285O=C(C)c1ccc(cc1)C(C)=O P-ACETYL SKBBQSLS 112 InChI=1/C11009-61-6 13287

O=C(O)CC(C)(C)c1ccccc1 BENZENEPRJTZZMXVI 60 InChI=1/C11010-48-6 13289CC(C)(C)c1ccc(cc1)C(C)(C)C Benzene, 1,OOWNNCMF 79.5 InChI=1/C11012-72-2 13293Clc1c(c(Cl)c(Cl)c(Cl)c1Cl)C(= BENZOIC AIONYGGJUU 209.3 InChI=1/C71012-84-6 13294CSc1nc(NC)nc(NC(C)C)n1 DESMETRYHCRWJJJU 85 InChI=1/C81014-69-3 13302Clc2cncc2c1cccc(Cl)c1[N+]([ Pyrrolnitri QJBZDBLB 124.5 InChI=1/C11018-71-9 13314

Lide, DR ET AL.Clc2ccccc2NC(=O)c1ccccc1 Benzamide,QXZRWUSA 99 InChI=1/C11020-39-9 13316ClC3=C(Cl)C4(Cl)C2C(C1OC1C2HEPTACHLOZXFXBSWR 160 InChI=1/C11024-57-3 13328C=CCN1C(=O)N(CC=C)C(=O)N1,3,5-Triaz KOMNUTZX 20.5 InChI=1/C11025-15-6 13329

CRC (2007) ClC2=C(Cl)C3(Cl)C1COS(=O)(=ENDOSULFAAAPVQEMY 181 InChI=1/C91031-07-8 13338O=P(N(C)C)(N(C)C)n1nc(nc1NPhosphonicBABJTMNV 167.5 InChI=1/C11031-47-6 13341

ALDRICH (2000Cc1ccc(cc1)P(c2ccc(C)cc2)c3cPhosphine, WXAZIUYT 149 InChI=1/C21038-95-5 13352CC(CC)(CC)CC 3-METHYL-GIEZWIDCI -90.9 InChI=1/C81067-08-9 13400CCC(CC)(CC)CC 3,3-DIETH BGXXXYLRP -33.1 InChI=1/C91067-20-5 13402CC(=O)NN ACETIC AC OFLXLNCG 67 InChI=1/C21068-57-1 13420CC(C)C(CC)C(C)C 2,4-DIMETVLHAGZNB -122.4 InChI=1/C91068-87-7 13421O=C(C)NC(C(=O)OCC)C(=O)OPropanedioiISOLMABR 96.3 InChI=1/C91068-90-2 13422

ALDRICH (2000C=CC(O)C(O)C=C 1,5-HexadiKUQWZSZY 15 InChI=1/C61069-23-4 13423CC(C)CC(C)C(C)C 2,3,5-TRI ODGLTLJZ -127.9 InChI=1/C91069-53-0 13426CC(C)(C)CC(=O)O Butanoic acMLMQPDHY 6.5 InChI=1/C61070-83-3 13438CC(C)(C)CC(C)(C)C 2,2,4,4-T GUMULFRC -66.5 InChI=1/C91070-87-7 13439CC(C)(C)CCCCC 2,2-DIMETPSABUFWD -113 InChI=1/C91071-26-7 13443CC(C)(C)CCC(C)(C)C 2,2,5,5-T HXQDUXXB -12.6 InChI=1/C11071-81-4 13448N#CC#CC#N 2-BUTYNEDZEHZNAXX 20.5 InChI=1/C41071-98-3 13449CC(C)CCCC(C)C HEPTANE, KBPCCVWU -102.9 InChI=1/C91072-05-5 13450CC(C)CCCCC(C)C OCTANE, 2KEVMYFLM -54.9 InChI=1/C11072-16-8 13451CC1CS1 Thiirane, mMBNVSWHU -91 InChI=1/C31072-43-1 13453O=S1(=O)OCCO1 [1,3,2]DioxZPFAVCIQZ 99 InChI=1/C21072-53-3 13456CC(=O)c1cccn1 2-ACETYLPIGJQUJNPM 90 InChI=1/C61072-83-9 13459C=Cc1ccc(Cl)cc1 P-CHLOROKTZVZZJJV 15.9 InChI=1/C81073-67-2 13465CCCc1ccccc1C 1-METHYL-YQZBFMJO -60.3 InChI=1/C11074-17-5 13471CCCc1cccc(C)c1 1-METHYL-QUEBYVKX -82.5 InChI=1/C11074-43-7 13472CCCc1ccc(C)cc1 1-METHYL-JXFVMNFK -63.6 InChI=1/C11074-55-1 13473OC(=O)c1ccc(C=C)cc1 BENZOIC ACIRQWEODK 143.5 InChI=1/C91075-49-6 13476

ALDRICH (2000N#CCCNc1ccccc1 PropanenitrFENJKTQE 52.5 InChI=1/C91075-76-9 13478Cc1cc2CCCCc2cc1C NAPHTHALEMHPANBVN 10 InChI=1/C11076-61-5 13483OC(=O)C1CCC(CC1)C(=O)O trans-CycloPXGZQGDT 312.5 InChI=1/C8619-82-9 13484CCCCCCc1ccccc1 N-HEXYLBELTEQMZWB -61 InChI=1/C11077-16-3 13487COc2ccc1c(CCCC1=O)c2 1(2H)-NaphMNALUTYM 78 InChI=1/C11078-19-9 13490CCCCCCCc1ccccc1 1-PHENYLHLBNXAWYD -48 InChI=1/C11078-71-3 13492

Aldrich (1998) Oc2ccc(O)cc2c1ccccc1 Phenylhyd XCZKKZXW 102.5 InChI=1/C11079-21-6 13493C(CCc1ccccc1)c2ccccc2 BENZENE, 1VEAFKIYNH 6 InChI=1/C11081-75-0 13502CCCCCCCCCc1ccccc1 N-NONYLBLIXVMPBO -24 InChI=1/C11081-77-2 13503[O-][N+](=O)c1ccc(cc1)Cc2ccPYRIDINE, MNHKUCBX 71 InChI=1/C11083-48-3 13506CCOc1ccc(cc1)NC(=O)CC(C)OBucetin LIAWQASK 160 InChI=1/C11083-57-4 13507CN(C)S(=O)(=O)N(SC(Cl)(Cl)F DICHLOFLUWURGXGVF 106 InChI=1/C91085-98-9 13520

O=C3c1ccccc1C(=O)C(Cl)=C3 1,4-NAPHTCIWCIDRT 215 InChI=1/C11090-16-0 13535ALDRICH (2000O(B(Oc1ccccc1)Oc2ccccc2)c3Boric acid, MDCWDBMB 99.5 InChI=1/C11095-03-0 13555

Oc1c(CO)c(cnc1C)CSSCc2cncPyritinol SIXLXDIJG 219 InChI=1/C11098-97-1 13561CC(C)(C)C(=O)OCC(=O)C4(O PrednisoloPHEOVVDX 233 InChI=1/C21107-99-9 13570

Tomlin 2003 COP(=O)(OC)SCC(=O)NC DIMETHOXPZXOQEXF -28 InChI=1/C51113-02-6 13574CC(=O)N(C)C(C)=O Acetamide,ZNQFZPCF -25 InChI=1/C51113-68-4 13578O=C(SCCC)N(CCCC)CC TILLAM SGEJQUSY -22 InChI=1/C1591-62-8 13579CC(C)CN(CC(C)C)CC(C)C 1-PropanamIIFFFBSAX -21.8 InChI=1/C11116-40-1 13586CCCB(CCC)CCC Tripropyl- ZMPKTELQ -56 InChI=1/C91116-61-6 13588O=C(CCCCCCC)OCCCCCC Octanoic acPBGWNXWN -30.6 InChI=1/C11117-55-1 13592NC(CCC(=O)OCC)C(=O)O 5-Ethyl-L- XMQUEQJC 191 InChI=1/C71119-33-1 13604O=C(CCCC(=O)OC)OC PENTANEDIXTDYIOOO -42.5 InChI=1/C71119-40-0 13605ClCCCCC(=O)O 5-CHLOROPYSXDKDWN 18 InChI=1/C51119-46-6 13606NC(=O)CCCCCCCCCCC DodecanamILRSCQWR 110 InChI=1/C11120-16-7 13618CCCCCCCCCCC N-UNDECARSJKGSCJY -25.6 InChI=1/C11120-21-4 13619O=C(CCCCCCCCCCCCCCCCCCEicosanoic QGBRLVON 54.5 InChI=1/C21120-28-1 13621CCCCCCCCCCCCC=C 1-TETRADEHFDVRLIO -12 InChI=1/C11120-36-1 13622C=C1CCC1 CyclobutanQIRVGKYP -134.7 InChI=1/C51120-56-5 13624O=S1(=O)CCCO1 2,2-DIOXI FSSPGSAQ 31.5 InChI=1/C31120-71-4 13626O=C1CCCC1C CyclopentaZIXLDMFV -75 InChI=1/C61120-72-5 13627Brc1ccncc1 4-BROMOPBSDGZUDF 0.5 InChI=1/C51120-87-2 13630CC1CCOCO1 4-METHYL INCCMBMM -44.5 InChI=1/C51120-97-4 13631

LIDE,DR ET AL.Oc1cnc(C)cc1 3-PyridinolDHLUJPLH 169 InChI=1/C61121-78-4 13637C1CCCCCCN1 Azocine, o QXNDZONI 29 InChI=1/C71121-92-2 13638CC(=O)c1ccncc1 4-ACETYLPWMQUKDQ 16 InChI=1/C71122-54-9 13644CN(C)c1ccncc1 4-DIMETHYVHYFNPMB 112 InChI=1/C71122-58-3 13646[O-][N+](=O)C1CCCCC1 CyclohexaneNJNQUTDU -34 InChI=1/C61122-60-7 13647

ALDRICH (2000CC1(C)CC(=O)NC(=O)C1 GlutarimideYUJCWMGB 145 InChI=1/C71123-40-6 13654DAUBERT,TE &OCC(C)c1ccccc1 2-PhenylprRNDNSYIP -13 InChI=1/C91123-85-9 13657

Cc1nc(C)c(C)nc1C PYRAZINE, FINHMKGKI 85 InChI=1/C81124-11-4 13658ALDRICH (2000O=C(O)C1CCC1C(O)=O 1,2-CyclobuSUSAGCZZ 131 InChI=1/C61124-13-6 13659

Oc1ccc2CCCCc2c1 2-NAPHTHAUMKXSOXZ 57 InChI=1/C11125-78-6 13667Cc1cc2ccccc2cn1 ISOQUINOLFVVXWRGA 68 InChI=1/C11125-80-0 13668Clc1ccc(cc1)C(=O)OC METHYL P LXNFVVDC 43.5 InChI=1/C81126-46-1 13669CCCCNc1ccccc1 N-BUTYLANVSHTWPWT -14.4 InChI=1/C11126-78-9 13672CCCCOc1ccccc1 BUTYL PHEYFNONBGX -19.4 InChI=1/C11126-79-0 13673

LIDE,DR ET AL.Cc2cccc1c2NC(=O)C1=O 1H-Indole-2UEHZKEAB 267 InChI=1/C91127-59-9 13675CCc2cccc1ccccc12 1-ETHYLN ZMXIYERNX -13.9 InChI=1/C11127-76-0 13677O=C(Oc1cc(C)ccc1)NC N-METHYLVOEYXMAF 76.5 InChI=1/C91129-41-5 13684O=C(Nc1ccccc1)CCC BUTYRANILUHANVDZC 97 InChI=1/C11129-50-6 13685Oc1ccc(cc1)C2CCCCC2 P-CYCLOHEOAHMVZYH 133 InChI=1/C11131-60-8 13689COc1cc(cc(OC)c1)C(=O)O 3,5-DIMETIWPZKOJSY 185.5 InChI=1/C91132-21-4 13693Brc1ccc2c3ccccc3Cc2c1 2-BROMO-FXSCJZNM 113.5 InChI=1/C11133-80-8 13697CCN(C(=O)SCC)C1CCCCC1 CYCLOATE DFCAFRGA 11.5 InChI=1/C11134-23-2 13698

ALDRICH (2000Cc1cc(ncc1)c2cc(C)ccn2 2,2'-Bipyri NBPGPQJF 175 InChI=1/C11134-35-6 13699

CCCCc1ccc2ccccc2c1 NAPHTHALEUKAMWVYN -5 InChI=1/C11134-62-9 13700O=C(c1ccc(N)cc1)c2ccccc2 4-BENZOYLRBKHNGHPZ 122.5 InChI=1/C11137-41-3 13707

ALDRICH (2000O=C(O)CNC(=O)OCc1ccccc1 N-BenzyloxCJUMAFVKT 121 InChI=1/C11138-80-3 13710Aldrich (1998) C=C2CCC3OC3(C)CCC1C2CC1((-)-beta-C NVEQFIOZ 62.5 InChI=1/C11139-30-6 13711

Clc2ccc(SSc1ccc(Cl)cc1)cc2 BIS(4-CHL ZIXXRXGPB 68 InChI=1/C11142-19-4 13721O=C1NC(=O)NC(=O)C1(CC(Br)BARBITURICFWZMBTIUI 131.5 InChI=1/C11142-70-7 13723Brc1ccc(cc1)C3C(=O)c2ccccc 1H-INDENENPUZIGSO 138 InChI=1/C11146-98-1 13729Clc2ccc(NC(=O)c1cc(Cl)cc(Cl)Benzamide,SJQBHPJLL 161 InChI=1/C11154-59-2 13743CN(C)CCN2c3ccc(Cl)cc3Nc1c CLOBENZE IDWVKNAR 165.5 InChI=1/C11159-93-9 13752O=C2Oc1c4C5C=COC5Oc4cc(Aflatoxin BOQIQSTLJS 268.5 InChI=1/C11162-65-8 13758

CRC Handbook Brc2c(Oc1c(Br)c(Br)c(Br)c(Br)DECABROMWHHGLZMJ 305 InChI=1/C11163-19-5 13764O=C2Oc1c4C5C=COC5Oc4cc(Aflatoxin GXWIYFDMX 245 InChI=1/C11165-39-5 13775

ALDRICH (2000Oc1cc(cc(O)c1O)C(=O)OCCC Lauryl gall RPWFJAMT 96.5 InChI=1/C11166-52-5 13777CC(C)C(C)C(C)(C)C 2,2,3,4-T VZFMYOCA -121 InChI=1/C91186-53-4 13808CCC(=O)NC N-METHYLQJQAMHYH -30.9 InChI=1/C41187-58-2 13816

ALDRICH (2000CC(=O)NCCS 2-AcetamidAXFZADXW 6.5 InChI=1/C41190-73-4 13829O=C1CCC1 CYCLOBUTSHQSVMDW -50.9 InChI=1/C41191-95-3 13840O\N=C1\CCCC1 CyclopentaYGNXYFLJZ 57.8 InChI=1/C51192-28-5 13844C=C1CCCCC1 METHYLENYULMNMJF -106.7 InChI=1/C71192-37-6 13846CC(=O)c1ccco1 2-ACETYLFIEMMBWWQ 33 InChI=1/C61192-62-7 13849Nc1ccc(S)cc1 4-AMINOBWCDSVWRU 46 InChI=1/C61193-02-8 13854CC=1CCCC(=O)C=1 2-CyclohexIITQJMYAY -21 InChI=1/C71193-18-6 13855CS(=O)c1ccccc1 METHYL PHJXTGICXC 32 InChI=1/C71193-82-4 13860N#Cc1ccc(F)cc1 BenzonitrilAEKVBBNG 34.8 InChI=1/C71194-02-1 13861CC2(C)C(=O)C1(C)CCC2C1 FENCHONELHXDLQBQ 5 InChI=1/C11195-79-5 13869CC2(C)C(=O)C1(C)CCC2C1 (1R)-(-)-F LHXDLQBQ 5 InChI=1/C17787-20-4 13869CC2(C)C(=O)C1(C)CCC2C1 d-FenchonLHXDLQBQ 6.1 InChI=1/C14695-62-9 13869

Lide, DR ET AL Oc1ccc(cc1O)C(C)=O 3,4-Dihydr UCQUAMAQ 115.5 InChI=1/C81197-09-7 13873CCOc1ccc(N)c(N)c1 1,2-BenzenKLLREYQZ 71.5 InChI=1/C81197-37-1 13875n1ccccc1Nc2ccccn2 N-2-PYRID HMMPCBAW 90.5 InChI=1/C11202-34-2 13888

ALDRICH (2000Nc1cc(ccc1O)c2ccccc2 (1,1'-BipheIGIDZGNP 200 InChI=1/C11134-36-7 13903ALDRICH (2000O=S(N)(=O)c1cc(ccc1Cl)C(=O Sulfamido-FHQAWING 257 InChI=1/C71205-30-7 13909

Cc2cc(Nc1ccccc1)ccc2 3-METHYL TWPMMLHB 30 InChI=1/C11205-64-7 13910N#Cc2c3ccccc3cc1ccccc12 9-ANTHRACKEQZHLAE 175 InChI=1/C11210-12-4 13924

ALDRICH (2000ClC2c3ccccc3CCc1ccccc12 5H-DibenzoQPERNSDC 106.5 InChI=1/C11210-33-9 13925LIDE,DR ET AL.OC2c3ccccc3CCc1ccccc12 5H-DibenzoPOAVRNPU 92 InChI=1/C11210-34-0 13926

O=C1c3ccccc3CCc2ccccc12 5H-DibenzoBMVWCPGV 30 InChI=1/C11210-35-1 13927O=S(=O)(N(CC)CC)c1ccc(cc1) EthebeneciUACOQEQO 193 InChI=1/C11213-06-5 13941

ALDRICH (2000c1c(ccc2nccc12)OCc3ccccc3 Indole, 5-bJCQLPDZC 102 InChI=1/C11215-59-4 13959O=C2c1ccccc1C(=O)c3c2c(N)C.I. DISPERICVRBKCR 193 InChI=1/C11220-94-6 13983CS(=O)(=O)c1ccc(cc1)c2cn3c Zolimidine VSLIUWLP 243 InChI=1/C11222-57-7 13985

LIDE,DR ET AL.[O-][N+](=O)c1ccc(cc1)Sc2cccBenzene, 1,ZZTJMQPR 160.5 InChI=1/C11223-31-0 13988CN1CCC(C1)CN2c4ccccc4Sc3cMETHDILAZHTMIBDQK 87.5 InChI=1/C11982-37-2 14009Oc3ccc4CC2C(C)C(C)(CCN2CCPhenazoci ZQHYKVKN 181 InChI=1/C2127-35-5 14031

Chem. Inspect. CCC(CCCC)COP(=O)(Oc1ccccc2-ETHYLHECGSLYBDC -54 InChI=1/C21241-94-7 14040

Oc1cc(C)ccc1CCCCC 3-Methyl-6CKGWFZQG 24 InChI=1/C11300-94-3 14076Oc1cc(C)ccc1CCCCC 6-n-Amyl-mCKGWFZQG 24 InChI=1/C153043-14-4 14076CC(C)CCOc1cc2c(cc1)nccc2 Euprocin CAFOIGUD 152 InChI=1/C21301-42-4 14081

Ullmann On-LiOc2ccc(Br)cc2C(=O)Nc1ccc(BDibromsalaCTFFKFYW 241.5 InChI=1/C187-12-7 14152Oc1cc(Cl)c(C)cc1 Phenol, 3- VQZRLBWP 55.5 InChI=1/C7615-62-3 14163Cc1cc(Cl)ccc1O 2-METHYL RHPUJHQB 51 InChI=1/C71570-64-5 14165Oc1cccc(Cl)c1C 1-Methyl-2WADQOGCI 86 InChI=1/C73260-87-5 14166COc1ccc2ncccc2c1 6-METHOXHFDLDPJYC 26.5 InChI=1/C15263-87-6 14170Oc1c(cc(Br)cc1Br)C(=O)Nc2ccTribromsalKVSKGMLN 227 InChI=1/C187-10-5 14178Oc2ccc(Cl)cc2C(=O)Nc1ccccc5-CHLOROSKGYNGVVN 211 InChI=1/C14638-48-6 14179O=S(=O)(NCCNS(=O)(=O)c1cc(cDinsed MMDWBZH 190 InChI=1/C196-62-8 14197

CRC HandbookCC2(C)C1CCC(=C)C2C1 beta-PINE WTARULD -61.5 InChI=1/C1127-91-3 14198CC2(C)C1CCC(=C)C2C1 (1S)-(-)-be WTARULD -61 InChI=1/C118172-67-3 14198C=CC(=O)OCCCCCCCC(C)C ISODECYL LVGFPWDA -100 InChI=1/C11330-61-6 14200O=C(OCCCCCCCC)c1ccccc1C(ISODECYLOUXLBXTIB 98 InChI=1/C21330-96-7 14202C=Cc1ccccc1Cl O-CHLOROISRGONDN -63.1 InChI=1/C82039-87-4 14205

Merck Index (2F HYDROGENKRHYYFGT -83.55 InChI=1/F 7664-39-3 14214OC(=O)CC(CC(=O)O)C(=O)O 1,2,3-PropaKQTIIICEA 166 InChI=1/C699-14-9 14220COc3ccc2c1CN5CCCC5Cc1c4cTylocrebri YFEPHJVW 220 InChI=1/C2 2/3/6879 14240CC(C)CCCC(C)CCCC(C)CCCC1(C2H-1-BenzoQUEDXNHF -3 InChI=1/C27616-22-0 14266c1ccccc1C(N2CCOCC2)(c3ccccTRIFENMOZJMLMBIC 175 InChI=1/C21420-06-0 14273O=[N+]([O-])c1cc(cc(c1O)C(C)Dinoterb IIPZYDQGB 126 InChI=1/C11420-07-1 14274

ALDRICH (2000CC(=O)NCCSC(=O)C N,S-Diacet UZLRPNHV 32.5 InChI=1/C61420-88-8 14276ALDRICH (2000CC(C)(C)c1cc(cc(c1O)C(C)(C) 3,5-Di-tert YEXOWHQZ 207.5 InChI=1/C11421-49-4 14285LIDE,DR ET AL.Oc1cc(C(=O)CCC)c(O)cc1O 2,4,5-Trih SRUQARLM 154.5 InChI=1/C11421-63-2 14286

Clc1cc(Br)c(Cl)cc1 BENZENE, OVXVQBCR 35 InChI=1/C61435-50-3 14309Brc1cc(Br)c(F)cc1 2,4-DIBR MKHDDTWH 69 InChI=1/C61435-53-6 14310CCCCC1CO1 OXIRANE, WHNBDXQT 94 InChI=1/C61436-34-6 14311O=C(C)c1cc(C)ccc1O 2-ACETYL- YNPDFBFV 50 InChI=1/C91450-72-2 14340

LIDE,DR ET AL.O\N=C(/C1CC1)C2CC2 CyclopropyAEVSLBGU 76.5 InChI=1/C71453-52-7 14344Cc1ccnn1 3-Methyl-1XKVUYEYA 36.5 InChI=1/C41453-58-3 14345NC(=O)c1ccncc1 I-NICOTIN VFQXVTOD 156 InChI=1/C61453-82-3 14346Nc2ccccc2c1ccccc1N [1,1'-BIPH HOLGXWDG 81 InChI=1/C11454-80-4 14347CCCCCCCCCCCCCCCCCO HEPTADECYGOQYKNQR 53.8 InChI=1/C11454-85-9 14348CCCCCCCCCS 1-NONANEZVEZMVFB -20.1 InChI=1/C91455-21-6 14349CCCCCCCCCCCCCCCCc1cccccN-HEXADEDEQLTFPC 27 InChI=1/C21459-09-2 14357CCCCCCCCCCCCCCc1ccccc1 1-PHENYL JZALLXAU 16 InChI=1/C21459-10-5 14358

CRC HandbookCOC(=O)c1cccc(c1)C(=O)OC DIMETHYL VNGOYPQM 67.5 InChI=1/C11459-93-4 14360BARRATT,MD (Cc1ccc(C)c(C)n1 Pyridine, t UTBIMNXE 37 InChI=1/C829611-84-5 14372

Cc1cccc2ccc(C)nc12 2,8-DimethBELFSAVWJ 27 InChI=1/C11463-17-8 14373LIDE,DR ET AL.O=C(C)Oc2ccccc2C(=O)OC(=OAcetylsalicOAWXYING 83 InChI=1/C11466-82-6 14382

CC(=O)c1ccsc1 3-ACETYLTRNIDWJDZ 60 InChI=1/C61468-83-3 14388Oc1ccc2CCCc2c1 5-INDANOLPEHSSTUGJ 58 InChI=1/C91470-94-6 14390O=C(CCCCCCCCCCCC(=O)OC)DIMETHYL WWSBQOYA 36 InChI=1/C11472-87-3 14392

ALDRICH (2000Cc1cccc2SC(=N)Nc12 2-BenzothiGRIATXVE 138 InChI=1/C81477-42-5 14403

Fc1ccc(cc1)C(=O)CCCN2CCN(FluanisoneIRYFCWPN 68 InChI=1/C21480-19-9 14410Cn3c1ccccc1c2ccccc23 9H-CARBAZSDFLTYHTF 89.34 InChI=1/C11484-12-4 14413

ALDRICH (2000C=Cn3c1ccccc1c2ccccc23 9H-CarbazoKKFHAJHL 65 InChI=1/C11484-13-5 14414OCCC1CCCCN1 2-Piperidi PTHDBHDZ 69 InChI=1/C71484-84-0 14415O=P(OCC)(OCC)ON3C(=O)c2ccNaftalofos QNSIFYWA 177 InChI=1/C11491-41-4 14419FC=O FORMYL FLNHGVZTMB -142.2 InChI=1/C 1493-02-3 14424c1cccc4c1c(c2ccccc2c4c3ccc 9,10-DIPH FCNCGHJSN 246 InChI=1/C21499-10-1 14430

ALDRICH (2000Cc1ncc(C)c1C(=O)C Ketone, 2,4VGZCKCJM 137.5 InChI=1/C82386-25-6 14433OC1CCCCCCCCC1 CyclodecanWFRBMXFC 40.5 InChI=1/C11502-05-2 14436Oc1ccc(cc1)C2CCCC2 4-CYCLOPESNBKPVVD 65 InChI=1/C11518-83-8 14468COc1cccc(c1OC)C(=O)O 2,3-DIMETFODBVCSY 123 InChI=1/C91521-38-6 14470

ALDRICH (2000S=C=N\c1ccc(F)cc1 Benzene, 1-NFIUJHJM 27 InChI=1/C71544-68-9 14507ALDRICH (2000FC(F)(C(F)(F)C(=O)O)C(F)(F)C(Heptanoic aJZHDEEOT 34 InChI=1/C71546-95-8 14509

CC(C)SC 3-METHYL-ROSSIHMZ -101.5 InChI=1/C41551-21-9 14512CC1CCC(C)S1 THIOPHENEIBKCTZVP -89 InChI=1/C65161-13-7 14513CC(C)Cc1ccc(cc1)CC(=O)O BENZENEACCYWFCPPB 86 InChI=1/C11553-60-2 14516Cc1cc(C)ncn1 4,6-DIMETLSBIUXKNV 25 InChI=1/C61558-17-4 14522CC(C)CCCCCCCCCCCCCCC HEPTADECARJWUMFHQ 5.7 InChI=1/C11560-89-0 14530OC1CCCCC1Cl CYCLOHEXANYEWDMNO 29 InChI=1/C66628-80-4 14539O=[N+]([O-])c1cc(ccc1O)OC 4-METHOXYYBUGOACX 79 InChI=1/C71568-70-3 14550CC(O)COCCC 1-PROPOXYFENFUOGY -80 InChI=1/C61569-01-3 14551O=C(OCC)c1ccncc1 ISONICOTINMCRPKBUF 23 InChI=1/C81570-45-2 14556OP(O)(=O)c1ccccc1 PHENYLPHOQLZHNIAAD 164.5 InChI=1/C61571-33-1 14560Cc2ccc3ccc1ccc(C)cc1c3c2 3,6-DIME OMIBPZBOA 145 InChI=1/C11576-67-6 14567C=CCCCC(=O)O 5-HexenoicXUDOZULI -37 InChI=1/C61577-22-6 14571OC1(CCCCC1)c2ccccc2 alpha-HydrDTTDXHDY 63.5 InChI=1/C11589-60-2 14582

LIDE,DR ET AL.N#Cc1ccc(cc1)c2ccc(cc2)C#N(1,1'-BipheKAXYYLCSS 238 InChI=1/C11591-30-6 14584Ic1ccc(cc1)c2ccccc2 1,1'-BiphenNXYICUMS 113.5 InChI=1/C11591-31-7 14585

Merck Index (1CN(C)CC(C)C(OC(=O)CC)(Cc1cPropoxyphXLMALTXP 75.5 InChI=1/C277-50-9 14592O=C(NN(C)C)CCC(=O)O DAMINOZINOQGZXFM 154.5 InChI=1/C61596-84-5 14593FC(F)(F)C(Cl)(Cl)C(Cl)(F)F PROPANE, SFCFZNZZF -4.3 InChI=1/C31599-41-3 14597Cc1cccnc1N 2-Pyridina RGDQRXPE 33.5 InChI=1/C61603-40-3 14608Cc1cnc(N)cc1 2-AMINO-5CMBSSVKZ 76.5 InChI=1/C61603-41-4 14609CN(C)CCCCCCCCCCCCCCCCCCDymanthinNAPSCFZY 22.89 InChI=1/C2124-28-7 14626C1CCCCS1 TETRAHYDYPWFISCT 19 InChI=1/C51613-51-0 14628OC2CN1CCC2CC1 1-AzabicyclIVLICPVP 221 InChI=1/C71619-34-7 14640CC(C)(C(=O)OCC)C(=O)OCC PROPANEDIUELKSYXX -30.4 InChI=1/C91619-62-1 14641

CHEM INSPECT CN(C)C1CSSC1 Nereistoxi DSOOGBGK 177.2 InChI=1/C51631-58-9 14661CC12CCC(C1)C(C)(C)C2O (+)-FencholIAIHUHQCL 43.5 InChI=1/C1 2/9/2217 14665CC12CCC(C1)C(C)(C)C2O Bicyclo 2.2IAIHUHQCL 48 InChI=1/C1512-13-0 14665

ALDRICH (2000O=S1(=O)CCCCO1 ButanesultMHYFEEDK 13.5 InChI=1/C41633-83-6 14670CRC (2007) CC(C)(C)OC METHYL T-BZLVMXJE -108.6 InChI=1/C51634-04-4 14672

CCCCc2cccc1ccccc12 NAPHTHALEURGSMJLD -19.8 InChI=1/C11634-09-9 14673Oc1ccc(CCCC)cc1 P-BUTYLPHCYYZDBDR 22 InChI=1/C11638-22-8 14678CC1(C)CCCC1 1,1-DIMETQWHNJUXX -69.8 InChI=1/C71638-26-2 14679

CCCCCCCS 1-HEPTANEVPIAKHNX -43 InChI=1/C71639-09-4 14680CCC1CCCC1 ETHYLCYC IFTRQJLVE -138.4 InChI=1/C71640-89-7 14686

CRC HandbookC[N+]([O-])(C)CCCCCCCCCCC N,N-DIMETSYELZBGXA 130.5 InChI=1/C11643-20-5 14688CC(=O)c1cc2ccccc2o1 Ethanone, YUTFQTAI 76 InChI=1/C11646-26-0 14690BrCCC1CCCCC1 2-BromoethJRQAAYVL -57 InChI=1/C81647-26-3 14693ClCC(Cl)(F)F 1,2-DICHL SKDFWEPB -101.2 InChI=1/C21649-08-7 14694Fc1ccc(cc1)C(=O)CCCN2CCN(AZAPERONXTKDAFGW 74 InChI=1/C11649-18-9 14695CC(O)CCCCCCCCCCC 2-TRIDECAHKOLRKVM 23 InChI=1/C11653-31-2 14701CC(C)CCCCCO 1-HEPTANOBWDBEAQI -106 InChI=1/C81653-40-3 14702

CRC CC(C)CCCCCO ISOOCTYL BWDBEAQI -106 InChI=1/C826952-21-6 14702DAUBERT,TE &N#CCCOCCC#N PropanenitrBCGCCTGN -26.3 InChI=1/C61656-48-0 14704CRC (2007) Cc1cc(cc(C)c1)OCC2CNC(=O)MetaxalonIMWZZHHP 122 InChI=1/C11665-48-1 14709ALDRICH (2000Cc1nc(N)nc(OC)n1 CV 399 NXFQWRWX 259.5 InChI=1/C51668-54-8 14716

CC=1CCCCC=1C CYCLOHEXETXNWMICH -84.1 InChI=1/C81674-10-8 14729CCC1CCCCC1 ETHYLCYC IIEWJVIFR -111.3 InChI=1/C81678-91-7 14751CCCC1CCCCC1 N-PROPYL DEDZSLCZ -94.9 InChI=1/C91678-92-8 14752CCCCC1CCCCC1 BUTYLCYC GGBJHURW -74.7 InChI=1/C11678-93-9 14753CC1CCCC(C)C1C CYCLOHEXANDQTVJLHN -85.7 InChI=1/C97667-55-2 14754CC1CCCC(C)C1C CYCLOHEXANDQTVJLHN -66.9 InChI=1/C91678-81-5 14754CC(C)CC1CCCCC1 ISOBUTYL FFROMNOQ -95 InChI=1/C11678-98-4 14755COC(=O)c1ccc(cc1)C(=O)O METHYL TEREIDAMBAP 222 InChI=1/C91679-64-7 14760Cc1ccc2CCCCc2c1 NAPHTHALEIVIDJLLPQ -40 InChI=1/C11680-51-9 14761Ic1cc(C#N)cc(I)c1O IOXYNIL NRXQIUSY 212.5 InChI=1/C71689-83-4 14774Brc1cc(cc(Br)c1O)C#N BROMOXYNUPMXNNIR 190 InChI=1/C71689-84-5 14775O=[N+]([O-])c1cc(cc(I)c1O)C Nitroxynil SGKGVABH 137.5 InChI=1/C71689-89-0 14776Brc1cc(cc(Br)c1OC(=O)CCCC BROMOXYNDQKWXTIY 45.5 InChI=1/C11689-99-2 14777CC(=O)N1CCOCC1 MorpholineKYWXRBNO 14.5 InChI=1/C61696-20-4 14787

CRC HandbookO=C2C(Cl)=C(N)C=NN2c1ccccCHLORIDA WYKYKTKD 205 InChI=1/C11698-60-8 14790COc1ccc(cc1OC)CC2c3cc(OC)Laudanosi KGPAYJZA 89 InChI=1/C22688-77-9 14792Clc1ccc(Cl)nc1C(=O)O 3,6-DICHL HUBANNPO 151 InChI=1/C61702-17-6 14797

ALDRICH (2000O=P(O)(c1ccccc1)c2ccccc2 Phosphinic BEQVQKJCL 194 InChI=1/C11707-03-5 14810Ullmann On-LiClC2(Cl)C1(Cl)CC(CBr)C2(Cl)CBromocicleDAASOABU 77 InChI=1/C81715-40-8 14826

CC(Cl)(Cl)F 1,1-DICH FRCHKSNAZ -103.5 InChI=1/C21717-00-6 14829CRC (2007) CC[Si](Cl)(Cl)CC DICHLORODBYLOHCRA -96.5 InChI=1/C41719-53-5 14830

Cc1cc2ccccc2nc1C QUINOLINEFBOFHVFM 68.5 InChI=1/C11721-89-7 14832Cc2nccc1ccccc12 ISOQUINOLPBYMYAJO 10 InChI=1/C11721-93-3 14833OC1CCCCCCCCCCC1 CYCLODODSFVWPXMP 77.5 InChI=1/C11724-39-6 14836CCCCCCCCCC N-DECANEDIOQZVSQ -29.7 InChI=1/C1124-18-5 14840Cc2cccc1c3ccccc3Cc12 1-METHYL GKEUODMJ 85 InChI=1/C11730-37-6 14844O=C(CCCCCCCCCCCC)OC METHYL T JNDDPBOK 6.5 InChI=1/C11731-88-0 14848O=C(CCCCCCCCCCCCCCCC)O HeptadecanHUEBIMLT 30 InChI=1/C11731-92-6 14849O=C(CCCCCCC(=O)OC)OC OctanedioicLNLCRJXC -3.1 InChI=1/C11732-09-8 14851CCCCCSC METHYL PEFOJGPFUF -94 InChI=1/C61741-83-9 14860

ALDRICH (2000COc1cc2CNCCc2cc1OC IsoquinolinCEIXWJHU 264 InChI=1/C1 12/3/2328 14863Oc1ccccc1CC=C Phenol, 2-(QIRNGVVZ -6 InChI=1/C91745-81-9 14864

Clc1cc2Oc3cc(Cl)c(Cl)cc3Oc22,3,7,8-T HGUFODBR 305 InChI=1/C11746-01-6 14865NC(=O)OC(C)C ISOPROPY OVPLZYJG 93 InChI=1/C41746-77-6 14867Clc1ccc(NC(=O)N(C)OC)cc1 MONOLIN LKJPSUCK 81.5 InChI=1/C91746-81-2 14868

ALDRICH (2000COc1ccc2NC(=N)Sc2c1 2-Amino-6-KZHGPDSV 166 InChI=1/C81747-60-0 14869O=P(Oc1ccccc1)(NC)NC o-PHENYL ZKIBFASDN 102 InChI=1/C81754-58-1 14880

ALDRICH (2000O=C3c1ccccc1C(=O)c2c3ccc( 9,10-AnthrLRMDXTVK 290 InChI=1/C11758-68-5 14887Cc1ccc(C)cc1CC 2-ETHYL-1 AXIUBBVS -53.7 InChI=1/C11758-88-9 14888

ALDRICH (2000C=Cc1scnc1C Thiazole, 5QUAMMXIR -15 InChI=1/C61759-28-0 14889O=C(O)C1CC1 CYCLOPROPYMGUBTXC 18.5 InChI=1/C41759-53-1 14890C[C@@H]1CC[C@@H](C)C1 1,3-DIMETXAZKFISIR -134 InChI=1/C71759-58-6 14891CC1CC=CC1 CYCLOPENTFWMRUAOD -160.8 InChI=1/C61759-81-5 14893NS(=O)(=O)c2cc1c(NC(NS1(=OEpithiazideRINBGYCK 206.5 InChI=1/C11764-85-8 14906ClC(Cl)C(=O)C(Cl)(Cl)Cl DichloromeRVSIFWBA 2.1 InChI=1/C31768-31-6 14908

ALDRICH (2000O=C2N=C(C)Nc1ccccc12 2-Methyl-4FIEYHAAM 232 InChI=1/C91769-24-0 14909ALDRICH (2000Cc1ccc(cc1)S(=O)c2ccc(C)cc2Benzene, 1,MJWNJEJC 95 InChI=1/C11774-35-2 14915LIDE,DR ET AL.O=C(c1cc(ccc1N)[N+]([O-])=O2-Amino-5PZPZDEIAS 163 InChI=1/C11775-95-7 14916

OCc1ccc(Cl)cc1Cl BENZENEMEDBHODFSFB 59.5 InChI=1/C71777-82-8 14918N=C1NCCS1 2-ThiazolamREGFWZVT 85.3 InChI=1/C31779-81-3 14923

ALDRICH (2000Clc1c(Cl)nc(Cl)nc1Cl Pyrimidine,GVBHCMNX 69 InChI=1/C41780-40-1 14924LIDE,DR ET AL.O=C2N(C(=O)N(C(=O)N2c1cccs-Triazine- YEACGXMA 285 InChI=1/C21785-02-0 14928LIDE,DR ET AL.O\N=C1\c3ccccc3CCc2ccccc15H-DibenzoBYNLMOBU 169.5 InChI=1/C11785-74-6 14933Kirk-Othmer CC[SiH](Cl)Cl Silane, eth RKHXNBJR -107 InChI=1/C21789-58-8 14937

Cc1scc(C)c1C THIOPHENEMAVVDCDM -26.2 InChI=1/C71795-04-6 14939CC1CCCS1 THIOPHENEAJPGNQYB -100.7 InChI=1/C51795-09-1 14940CCCCCCCCC1CCCCC1 1-CYCLOHEFBXWCEKQ -20 InChI=1/C11795-15-9 14941CCCCCCCCCCC1CCCCC1 N-DECYLC STWFZICHP -1.7 InChI=1/C11795-16-0 14942CCCCCCCCCCCCC1CCCCC1 DODECYLCBLRBGKYY 12.5 InChI=1/C11795-17-1 14943CCCCCCCCCCCCCCC1CCCCC1N-TETRAD NQAVPKIJ 24 InChI=1/C21795-18-2 14944COc1cc(CC(=O)O)ccc1 M-METHOXYLEGPZHPSI 72 InChI=1/C91798-09-0 14948OC(c1ccccc1)(C2CCNCC2)c3cAzacyclonoZMISODWV 160.5 InChI=1/C1115-46-8 14952Clc1ccc(CO)cc1Cl 3,4-DICHL FVJIUQSKX 36 InChI=1/C71805-32-9 14956Oc2ccccc2c1ccccc1O 2,2'-BIPHE IMHDGJOM 109 InChI=1/C11806-29-7 14959c1cc(ccc1c2ncc(o2)c3ccccc3)2,2'-(1,4- MASVCBBI 245 InChI=1/C21806-34-4 14960BrC(CC)CC Pentane, 3VTOQFOCY -126.2 InChI=1/C51809-10-5 14966CCc2ccccc2c1ccccc1 1,1'-BIPHE DLMYHUAR -6 InChI=1/C11812-51-7 14969Nc1c(cc(cc1Br)[N+]([O-])=O)[BenzenaminKWMDHCLJ 153.5 InChI=1/C61817-73-8 14979NS(=O)(=O)c2cc1c(NC(NS1(= 3-ETHYLHYVXLCNTLW 269.5 InChI=1/C91824-58-4 14989Cc1cccc(N)n1 2-Pyridina QUXLCYFN 41 InChI=1/C61824-81-3 14991Clc1c(OC)c(Cl)c(Cl)c(Cl)c1Cl PENTACHLBBABSCYT 108 InChI=1/C71825-21-4 14993Clc2cccc1c2cccc1Cl 1,5-DICHL ZBQZXTBA 107 InChI=1/C11825-30-5 14994Clc1ccc(Cl)c2ccccc12 1,4-DICHL JDPKCYMV 67.5 InChI=1/C11825-31-6 14995

ALDRICH (2000Fc1c(C#N)c(F)c(F)c(C#N)c1F TetrafluoroPCRSJGWF 198 InChI=1/C81835-49-0 15008Clc2cc(Cl)ccc2Oc1ccc(cc1)[N+NITROFEN XITQUSLL 70 InChI=1/C11836-75-5 15010Clc2cc(Cl)cc(Cl)c2Oc1ccc(cc1CHLORNIT XQNAUQUK 105.5 InChI=1/C11836-77-7 15011CCCCCCCCCCCCCCCCCN 1-HeptadeKAJZYANL 49 InChI=1/C14200-95-7 15014

CCCCCCCCCCCCCCCCCCN OCTADECYREYJJPSVU 52.9 InChI=1/C1124-30-1 15016O=C(c1ccc(cc1O)OCCCCCCCC)Methanone,QUAMTGJK 48.5 InChI=1/C21843-05-6 15020

LIDE,DR ET AL.CCc1nc2ccccc2n1 2-EthylbenQHCCOYAK 175 InChI=1/C91848-84-6 15028C=C(CCl)CCl 2-(CHLOROXJFZOSUFG -14 InChI=1/C41871-57-4 15073OC(=O)c1cccc(C#N)c1 M-CYANOBEGYLKKXHEI 219 InChI=1/C81877-72-1 15088O=[N+]([O-])c1cc(CC(=O)O)ccM-NITROPHWUKHOVC 118.5 InChI=1/C81877-73-2 15089Clc1cc(CC(=O)O)ccc1 M-CHLOROPWFPMUFXQ 78.75 InChI=1/C81878-65-5 15092Clc1ccc(CC(=O)O)cc1 P-CHLOROPCDPKJZJVT 106.5 InChI=1/C81878-66-6 15093CC(C)(C)c1cc(C)cc(C)c1O 2-(1,1-DI OPLCSTZD 22.3 InChI=1/C11879-09-0 15097

LIDE,DR ET AL.COc1c(cc(cc1OC)C#N)OC BenzonitrilOSBQUSPV 93.8 InChI=1/C11885-35-4 15105Cl/C(Cl)=C(\Cl)C(Cl)(Cl)Cl PERCHLORVFDYKPAR -72.9 InChI=1/C31888-71-7 15113

ALDRICH (2000OCCSSCCO 2-HydroxyetKYNFOMQI 26 InChI=1/C41892-29-1 15117Clc1nc(NCC)nc(n1)N(CC)CC TRIETAZIN HFBWPRKW 101 InChI=1/C91912-26-1 15157

ALDRICH (2000COc1c(cc(cc1OC)C(=O)OC)OCBenzoic aciKACHFMOH 83 InChI=1/C11916-07-0 15161Nc1c(Cl)c(nc(Cl)c1Cl)C(=O)O PICLORAMNQQVFXUM 218.5 InChI=1/C6 2/1/1918 15170[O-][N+](=O)c1cc(C)cc([N+]( DIPROPALIUDVZOMAE 80 InChI=1/C1 8/7/1918 15171

ALDRICH (2000c1ccccc1Oc3nc(nc(Oc2ccccc21,3,5-Triaz IYDYVVVA 233.5 InChI=1/C21919-48-8 15177Clc1cc(OCC(=O)OCC)c(Cl)cc1C2,4,5-T, E LVNNFHCE 64 InChI=1/C11928-39-8 15196ClC(Cl)(Cl)c1cccc(Cl)n1 NITRAPYRIDCUJJWWU 63 InChI=1/C61929-82-4 15205

ALDRICH (2000O=[N+]([O-])c1cc(cc([N+]([O BenzonitrilSCGDEDHS 140.75 InChI=1/C71930-72-9 15209CCC1(O)CCCCC1 1-ETHYLCYBUCJHJXFX 34.5 InChI=1/C81940-18-7 15213

ALDRICH (2000BrC3c1ccccc1c2ccccc23 Fluorene, AHCDKANC 103.5 InChI=1/C11940-57-4 15216CCCC#CCCC 4-OCTYNE GZTNBKQT -101 InChI=1/C81942-45-6 15221CCCCC#CCCCC 5-DECYNE JWBQJUFC -73 InChI=1/C11942-46-7 15222CC(C)C2=CC=3CCC1C(C)(CCCCPALUSTRICMLBYBBUZ 164.5 InChI=1/C21945-53-5 15232

ALDRICH (2000CC(C)(C)c1cc(O)ccc1O 2-tert-But BGNXCDMC 128 InChI=1/C11948-33-0 15235O=C(O)CC(N)c1ccc(cc1)N(CCC4-(BIS(2- LUZAMFFY 182.5 InChI=1/C1148-82-3 15242Oc1cc2ccnc2cc1 1H-INDOL-LMIQERWZ 107.5 InChI=1/C81953-54-4 15244C(OCCOCC1CO1)COCCOCC2CEtoglucid UMILHIMH -13 InChI=1/C11954-28-5 15246Clc1cc(NC(=O)OC(C)C#C)ccc1CHLORBUFULBXWWGW 45.5 InChI=1/C11967-16-4 15261Brc1ccc(NC(N)=O)cc1 P-BROMOPPFQUUCXM 226 InChI=1/C71967-25-5 15262BrC(C)CCCCC 2-BROMOHHLAUCEOF 47 InChI=1/C7 4/5/1974 15278CN1CCN(CC1)C2=Nc4ccccc4CPerlapine PWRPUAKX 137 InChI=1/C1 11/3/1977 15291Clc2ccc(Oc1ccc(NC(=O)N(C)CCHLOROXUIVUXTESCP 151 InChI=1/C11982-47-4 15299

CRC O=C(NC1CCCCC1C)Nc2ccccc2SIDURON JXVIIQLNU 135 InChI=1/C11982-49-6 15300RAN,Y ET AL. ( Clc1cc(Cl)c(Cl)c2nsnc12 2,1,3-BenzoSZYWFOPN 122 InChI=1/C61982-55-4 15301

O=P(O)(O)CP(=O)(O)O Medronic AMBKDYNNU 199.5 InChI=1/CH1984-15-2 15308Clc1c(OC)cccc1Cl Benzene, 1HFEASCCD 32 InChI=1/C71984-59-4 15310O=S(=O)(Nc1nc(nc(CC)n1)CC)SulfasymazZQMQGBHQ 187 InChI=1/C11984-94-7 15316Brc1ccc(\N=C=S)cc1 P-BROMOPXQACWEBG 60.5 InChI=1/C7 12/2/1985 15317Oc3cccc2c3c1ccccc1C2=O 4-Hydroxy-OZLKIIAM 250 InChI=1/C11986-00-1 15323O=C(N)c1c(Cl)cccc1Cl 2,6-DICHL JHSPCUHP 197.5 InChI=1/C72008-58-4 15359CCCCCCCCCN N-NONYLAFJDUDHYH -1 InChI=1/C9112-20-9 15387CCCCCCCCCCCCCCN 1-TETRAD PLZVEHJL 83.1 InChI=1/C12016-42-4 15389

ChemFinder (2CN(C)CCCCCCCC OctyldimetUQKAOOAF -57 InChI=1/C17378-99-6 15396

CCN(CCO)CCn2c3C(=O)N(C)C(BamifyllineVVUYEFBR 80 InChI=1/C22016-63-9 15401Clc1nc(C(=O)NC(=N)N)c(N)n Amiloride XSDQTOBW 241 InChI=1/C62609-46-3 15403CC(C)c1ccc2ccccc2c1 2-ISOPROPTVYVQNHY 14.5 InChI=1/C12027-17-0 15410C#CC(C)O 3-Butyn-2-GKPOMITU -3 InChI=1/C42028-63-9 15411O=C(Oc1cc(C)c(cc1)N(C)C)NCAMINOCARIMIDOCRT 93.5 InChI=1/C12032-59-9 15416Cc1cc(cc(C)c1SC)OC(=O)NC METHIOCAYFBPRJGD 120 InChI=1/C12032-65-7 15417O=C1CC(=O)OC(C)(C)O1 1,3-DioxaneGXHFUVWI 94 InChI=1/C62033-24-1 15418C=Cc1ccc(Br)cc1 4-BROMOSWGGLDBIZ 7.7 InChI=1/C82039-82-9 15431C=Cc1ccccc1Br 2-BROMOSSSZOCHFY -52.5 InChI=1/C82039-88-5 15432

ALDRICH (2000Cc1ccc(C)cc1C=C Styrene, 2,DBWWINQJ -35 InChI=1/C12039-89-6 15433ALDRICH (2000COc1cccc(OC)c1C(C)=O AcetophenoXEUGKOFT 69 InChI=1/C1 4/2/2040 15435

CCCCC1CCCC1 CYCLOPENTZAGHKONX -108 InChI=1/C92040-95-1 15437CCCC1CCCC1 PROPYLCY KDIAMAVW -117.3 InChI=1/C82040-96-2 15438N#Cc1ccccc1Br 2-BROMOBAFMPMSCZ 55.5 InChI=1/C72042-37-7 15440NS(=O)(=O)c2cc1c(NC(NS1(=OButhiazideHGBFRHCD 221.5 InChI=1/C12043-38-1 15442

LIDE,DR ET AL.S=C1C=CC=CN1C 2(1H)-PyridUHOAUPKG 89.5 InChI=1/C62044-27-1 15445CC(C)CCc1ccccc1 PENTYLBE XNXIYYFOY -75 InChI=1/C1538-68-1 15460O=C(CCCCCC(=O)OCC)OCC DIETHYL P LKKOGZVQ -24 InChI=1/C12050-20-6 15466O=C(CCCCCCC(=O)OCC)OCC DIETHYL S PEUGOJXLB 5.9 InChI=1/C12050-23-9 15467CCc1cc(C)cc(CC)c1 1,3-DIETH HILAULICM -74.1 InChI=1/C12050-24-0 15468O=C(C)Nc1ccc(C)cc1C 2,4-DIMETPJEIIBXJU 129.3 InChI=1/C12050-43-3 15469Brc2ccc(Oc1ccc(Br)cc1)cc2 Benzene, 1YAWIAFUB 60.5 InChI=1/C12050-47-7 15471O=C(OCCCC)C(=O)OCCCC DIBUTYL OJKRZOJAD -30.5 InChI=1/C12050-60-4 15472Clc1cc(ccc1)c2cc(Cl)ccc2 3,3'-DICH KTXUOWUH 29 InChI=1/C12050-67-1 15473Clc1ccc(cc1)c2ccc(Cl)cc2 4,4'-DICH YTBRNEUE 149.3 InChI=1/C12050-68-2 15474Clc1c2ccccc2ccc1Cl 1,2-DICHL MOXLHAPK 36 InChI=1/C12050-69-3 15475Clc1cccc2ccc(Cl)cc12 NAPHTHALEVQBIYCQG 63.5 InChI=1/C12050-73-9 15476Clc1cccc2cccc(Cl)c12 1,8-DICHL ADRYPAGQ 89 InChI=1/C12050-74-0 15477Clc1cc(Cl)c(O)c2ccccc12 2,4-DICHL HVLJEMXD 107.5 InChI=1/C12050-76-2 15479CCCCCCCCCCI 1-IODODE SKIDNYUZ -16.3 InChI=1/C12050-77-3 15480CCCCCNCCCCC DIPENTYLAJACMPVXH -7.85 InChI=1/C12050-92-2 15482Clc1c(c(Cl)c(Cl)c(Cl)c1Cl)c2c(CDECACHLOONXPZLFX 305.8 InChI=1/C12051-24-3 15484CCCCCCC(O)CCC 4-DECANODTDMYWXT -11 InChI=1/C12051-31-2 15486

ALDRICH (2000Clc1ccc2OC(=O)C=Cc2c1 2H-1-BenzoAMQSYJCK 165 InChI=1/C92051-59-4 15487Clc1cc(ccc1)c2ccccc2 3-CHLOROBNMWSKOLW 16 InChI=1/C12051-61-8 15488Clc1ccc(cc1)c2ccccc2 4-CHLOROBFPWNLURC 78.8 InChI=1/C12051-62-9 15489CCCC(=O)OCC=C BUTANOIC RMZIOVJH -80 InChI=1/C72051-78-7 15490Brc2ccccc2c1ccccc1 O-BROMOBKTADSLDAU 1.5 InChI=1/C1 7/5/2052 15494Oc1ccccc1C(=O)OCCCC BENZOIC ACYFDUWSBG -5.9 InChI=1/C12052-14-4 15495CN1CCN(CC1)C3=Nc4ccccc4ScClothiapin KAAZGXDP 119 InChI=1/C12058-52-8 15510O=C2c1ccccc1N(C)C2=O N-METHYLIVCYBVWFT 131.5 InChI=1/C92058-74-4 15517Fc1ccc(cc1)C(CCCN2CCC(CC2PIMOZIDE YVUQSNJE 216 InChI=1/C22062-78-4 15520Fc1ccc(cc1)C(=O)CCCN2CCC BENPERIDOFEBOTPHF 170.9 InChI=1/C22062-84-2 15521O=C(COc1ccccc1)OC METHYL P BZCKRPHE 245 InChI=1/C92065-23-8 15523Clc1ccc2cc(Cl)ccc2c1 2,6-DICHL YCFUHBHON 140.5 InChI=1/C12065-70-5 15524

BrCCCCC(=O)O 5-BROMOPWNXNUPJZ 39 InChI=1/C52067-33-6 15526ALDRICH (2000Brc1cnnc1 4-BromopyWVGCPEDB 94.5 InChI=1/C32075-45-8 15530

CC(C)c1ccccc1Cl Benzene, 1RNEMUWDQ -74.4 InChI=1/C92077-13-6 15532O=C(OCCCCOC(=O)C(=C)C)C(1,4-BUTANXOJWAAUY 226.28 InChI=1/C12082-81-7 15540S=P(OCC)(Oc1ccc(cc1)[N+]([OEPN AIGRXSNS 36 InChI=1/C12104-64-5 15571Clc1cc(OP(=S)(OC)OC)c(Cl)cc BROMOPHNYQDCVLC 53.5 InChI=1/C82104-96-3 15572ClC1(Cl)CCCCC1 CYCLOHEXALQRDJCBZ -47 InChI=1/C62108-92-1 15573O=C(C)Nc2ccccc2c1ccccc1 2-PHENYLAIXCZSZXIG 121 InChI=1/C12113-47-5 15593O=[N+]([O-])c1cc(ccc1)c2ccc 3-NITROBI FYRPEHR 62 InChI=1/C12113-58-8 15596

ALDRICH (2000NC(=O)OCCCl Ethanol, 2-LIJLYNWY 75.5 InChI=1/C32114-18-3 15601c1ccccc1Cc2ccncc2 4-BENZYLPDBOLXXRVI 12.4 InChI=1/C12116-65-6 15603NS(=O)(=O)c1cc2C(=O)N(Cc2ClorexolonVPMWFZKO 267 InChI=1/C1 1/7/2127 15615CCCCCCCCCCCCCCCc1ccccc11-PHENYL JIRNEODM 22 InChI=1/C22131-18-2 15618Cc1ccc2cc(C)cc(C)c2c1 1,3,7-TRI HXDVFWJR 12 InChI=1/C12131-38-6 15619Clc1ccc(\N=C=S)cc1 BENZENE, MZZVFXMT 46 InChI=1/C72131-55-7 15622COc1ccc(cc1)c2ccc(OC)cc2 4,4'-DIME UIMPAOAA 175 InChI=1/C12132-80-1 15626ClC(Cl)(Cl)c1ccccc1Cl 2-CHLOROBMFHPYLFZ 29.4 InChI=1/C72136-89-2 15636Oc1cc(Cl)ccc1O 4-CHLORC WWOBYPKU 90.5 InChI=1/C62138-22-9 15638Oc1ccc(cc1O)C(C)C 4-ISOPROPWYVMDJWL 78 InChI=1/C92138-43-4 15639

LIDE,DR ET AL.Oc1c(cccc1O)C(C)C 1,2-BenzeneXLZHGKDR 47 InChI=1/C92138-48-9 15640O=C(C)c1cc(Br)ccc1 M-BROMOAJYAQYXOV 7.5 InChI=1/C82142-63-4 15644Oc1cc(O)ccc1C(=O)OC METHYL 2,IIFCLXHRI 119.5 InChI=1/C82150-47-2 15663Clc1ccc(cc1)CCC2c3cc(OC)c( MetofolineYBCPYHQF 110.5 InChI=1/C2 2/1/2154 15678

LIDE,DR ET AL.O\N=C3/c1ccccc1c2ccccc23 FluorenoneCRNNFEKV 195.5 InChI=1/C12157-52-0 15683ALDRICH (2000OCC1(CO)CC=CCC1 3-CyclohexYXEBFFWT 88.5 InChI=1/C82160-94-3 15684

CN(C)C(=O)NC1CCCCCCC1 CYCLURONDQZCVNGC 138 InChI=1/C12163-69-1 15694CN(C)C(=O)NC3CC1CC3C2CCNOREA YGLMVCVJL 177 InChI=1/C118530-56-8 15696O=C1C=3CCCC=3NC(=O)N1C LENACIL ZTMKADLO 316 InChI=1/C1 8/1/2164 15699Clc1ccc(NC(=O)C(=C)C)cc1Cl DICRYL VCBRBUKG 128 InChI=1/C1 9/2/2164 15700O=C(Nc1cc(ccc1)C(F)(F)F)N(CFLUOMETURZILCCPW 164 InChI=1/C12164-17-2 15702CCCCS(=O)CCCC BUTANE, 1,LOWMYOW 32.6 InChI=1/C82168-93-6 15708Brc2c1Oc3c(Oc1c(Br)c(Br)c2Cl1,2,4,6,7 JOGYHTIH 385 InChI=1/C12170-44-7 15718Brc2c1Oc3c(Oc1c(Br)c(Br)c2BrOCTABROMXAHTWKGG 376 InChI=1/C12170-45-8 15719

CHEM INSPECT CC(C)COc1ccc2ccccc2c1 NaphthalenXOHIHZHS 31 InChI=1/C12173-57-1 15722Clc1c(Cl)c(Cl)nc(Cl)c1Cl 2,3,4,5,6 DNDPLEAV 125.5 InChI=1/C52176-62-7 15724CC1=Cc2ccccc2C1 2-METHYL-YSAXEHWH 80 InChI=1/C12177-47-1 15727CCCCCCCCc1ccccc1 OCTYLBENCDKDZKXS -36 InChI=1/C12189-60-8 15747

ALDRICH (2000O=C2c1ccccc1C(=O)C(C)=C2C2,3-DimethLGFDNUSA 127 InChI=1/C12197-57-1 15752O=C(C)Nc1c(C)cccc1C 2,6-DIMETNRPTXWYB 183 InChI=1/C12198-53-0 15753Clc2cc(Cl)cc1ccccc12 NaphthalenAMCBMCWL 62.3 InChI=1/C12198-75-6 15755C[C@@H]1CCC[C@@H](C)C11,3-DIMETSGVUHPSB -90.1 InChI=1/C8 3/6/2207 15766

Merck Index NC1=NCC(O1)c2ccccc2 Aminorex SYAKTDIE 136.5 InChI=1/C92207-50-3 15767CC(C)NC(=O)C=C N-IsopropyQNILTEGF 64 InChI=1/C62210-25-5 15774O=C2NN(c1ccccc1)C(=O)C2C MofebutazREOJLIXKJ 102.5 InChI=1/C12210-63-1 15776C=C(C)CC(C)C 2,4-DIMETLXQPBCHJ -124.1 InChI=1/C72213-32-3 15794

ALDRICH (2000Clc1nc2ccccc2nc1Cl QuinoxalineSPSSDDOT 153 InChI=1/C82213-63-0 15796CC(CC)CCCCC 3-METHYL SEEOMASX -107.6 InChI=1/C92216-33-3 15801CC(CCC)CCCC 4-METHYL DOGIHOCM -113.3 InChI=1/C92216-34-4 15802CNc2cccc1ccccc12 1-NAPHTHAAKEYUWUE 174 InChI=1/C12216-68-4 15804CCCCCCCOC(=O)CC PROPANOICBGYICJVB -50.9 InChI=1/C12216-81-1 15807Nc2cccc1CCCCc12 1-NAPHTHASODWJACR 38 InChI=1/C12217-41-6 15808CC(C)(C)c1cccc(C)c1O Phenol, 2-(BKZXZGWH 31 InChI=1/C12219-82-1 15815

ALDRICH (2000O=C2c3ccccc3C=Cc1ccccc12 5H-DibenzoSNVTZAIY 88.5 InChI=1/C12222-33-5 15816ClC1(C(Cl)=C(Cl)C(Cl)=C1Cl)C2DIENOCHL LWLJUMBE 122 InChI=1/C12227-17-0 15823C=CC(Cl)(Cl)Cl 1-Propene, VKEIPALY -30 InChI=1/C32233-00-3 15825Clc2c1c(Cl)c(Cl)c(Cl)c(Cl)c1c(COCTACHLORTNLUFLD 197.5 InChI=1/C12234-13-1 15827

ALDRICH (2000Cc1cc(C)ccc1C=C Styrene, 2,OEVVKKAV -64 InChI=1/C12234-20-0 15829Jaworska, J et OP(=O)(O)CN(CP(=O)(O)O)CP(Nitrilotri YDONNITU 90.3 InChI=1/C36419-19-8 15833

CCCCCCCCC#N NONANONIPLZZPPHA -34.2 InChI=1/C92243-27-8 15846Nc1ccc(N)c2ccccc12 1,4-NaphthOKBVMLGZ 120 InChI=1/C12243-61-0 15850Nc2cccc1c2cccc1N 1,5-DIAM KQSABULT 190 InChI=1/C12243-62-1 15851

LIDE,DR ET AL.Cc2ccc1ccccc1c2N 1-NaphthylJMBLSGAX 32 InChI=1/C12246-44-8 15862O=C(O)CCCCc1ccccc1 5-PHENYLPBYHDDXPK 57.5 InChI=1/C12270-20-4 15886

Tomlin 2003 CCOP(=S)(OCC)SCC(=O)NC(C)PROTHOATQTXHFDHV 28.5 InChI=1/C92275-18-5 15901Clc2c(C(=O)Nc1cc(Cl)cc(Cl)c1OxyclozaniJYWIYHUX 210 InChI=1/C12277-92-1 15904Oc1ccc(cc1OC)CCCO 3-(4-HYDR MWOMNLDJ 65 InChI=1/C12305-13-7 15941Cc1ccc(NC(=O)C(C)CCC)cc1ClPENTANOCWGVWLKXZ 85 InChI=1/C12307-68-8 15945

LIDE,DR ET AL.COCCCNCC1COc2ccccc2O1 1,4-BenzodGRPLGTPS 183.5 InChI=1/C12307-81-5 15947O=C1CCC(=O)N1CC 2,5-PYRROLGHAZCVNU 26 InChI=1/C62314-78-5 15961O=C(OCCC)c1ccccc1 PROPYL BEUDEWPOVQ -51.6 InChI=1/C12315-68-6 15965

LIDE,DR ET AL.Ic1cc(cc(I)c1I)C(=O)O Benzoic aciUCBKDZNM 292.5 InChI=1/C72338-20-7 15975O=C(C)Oc1ccc(cc1)C(=O)O 4-ACETOXYGDBUZIKSJ 192.5 InChI=1/C92345-34-8 15983CC1=NCCS1 Thiazole, 4JUIQOABN -101 InChI=1/C42346-00-1 15985CCN(CC)CCOC(=O)c1ccc(OCC4-ButoxybenQNIUOGIM 146 InChI=1/C12350-32-5 15997Cc1cc(Br)ccc1O 2-Methyl- IWJGMJHA 64.7 InChI=1/C7 12/1/2362 16011CCCCF 1-FLUORO FCBJLBCG -134 InChI=1/C42366-52-1 16020

ALDRICH (2000Cc1nc2ccccc2nc1C QuinoxalineFKHNZQFC 105 InChI=1/C12379-55-7 16036Oc1ccc(cc1OC)CCO 3-METHOXXHUBSJRBO 41 InChI=1/C92380-78-1 16039Cc2ccc3cc4ccc1ccccc1c4cc3c10-METHYLWUMGYHIC 183.3 InChI=1/C12381-15-9 16040Cc3ccc4cc1c(ccc2ccccc12)cc 9-METHYL KYJPMPXT 152 InChI=1/C12381-16-0 16041Cc4cccc3cc1c(ccc2ccccc12)c 8-METHYL IJGWKTGQ 156.5 InChI=1/C12381-31-9 16044Cc4c5ccccc5c1ccc3cccc2ccc4BENZO[a]PYFYHJNJC 216 InChI=1/C231647-36-6 16046

ALDRICH (2000O=C(OCC1CC2OC2CC1)C3CC UT-632 YXALYBMH -37 InChI=1/C12386-87-0 16058CC(C)c1ccc(cc1)C(=C)C BENZENE, XMCNZCCU -30.6 InChI=1/C12388-14-9 16061C=CCCCC=C 1,6-HeptadGEAWFZNT -129 InChI=1/C73070-53-9 16074C=CCCCC=C 1,6-HEPTAGEAWFZNT -85 InChI=1/C72396-63-6 16074C#CCCCCCC#C 1,8-NONADDMOVPHYF -27.3 InChI=1/C92396-65-8 16075CCCCCCCCC(CCCCCCCCCCC)c19-PHENYLEKZUKFVRO 17.9 InChI=1/C22398-65-4 16079CC(CCCCCCCCCCCCCCCCCC)c12-PHENYLEGWTSUVHH 29 InChI=1/C22398-66-5 16080CCCCCCCCCCCCCCCCCCCCc1c1-PHENYLEHPPLZROU 44 InChI=1/C22398-68-7 16081

CCC(CCCCCCCCCCCCCCCCC)c13-PHENYLEKPJGRQMP 29.3 InChI=1/C2 2/4/2400 16087CCCC(CCCCCCCCCCCCCCCC)c14-PHENYLERFNYELHD 31.4 InChI=1/C2 3/5/2400 16088CCCCC(CCCCCCCCCCCCCCC)c15-PHENYLEKINRJYWU 30.2 InChI=1/C2 4/6/2400 16089Clc1cccnc1Cl 2,3-DICHL MAKFMOSB 66 InChI=1/C52402-77-9 16094Clc1cccc(Cl)n1 2,6-DICHL FILKGCRC 88 InChI=1/C52402-78-0 16095Clc1cc(Cl)c(Cl)nc1Cl 2,3,5,6-T FATBKZJZ 90.5 InChI=1/C52402-79-1 16096CC1CCCC(C)(C)C1=O CyclohexanZPVOLGVTN -31.8 InChI=1/C92408-37-9 16105CC(C)(C)c1cc(C)ccc1O 2-(TERT-B IKEHOXWJ 51.5 InChI=1/C12409-55-4 16109Cc1ccc(C)c(O)c1C 2,3,6-TRI QQOMQLYQ 58 InChI=1/C92416-94-6 16119Oc1ccc(C=O)cc1Cl 3-CHLORO VGSOCYWC 139 InChI=1/C72420-16-8 16125CCC(O)CN(CC(O)CC)CC(O)CC Tri-sec-bu BFIAIMMA 41 InChI=1/C1 2/5/2421 16127Cc2c4ccccc4cc1ccc3ccccc3c112-METHYACYOLKME 138 InChI=1/C12422-79-9 16129ClC(Cl)C(Cl)(Cl)SN2C(=O)C1 CAPTAFOL JHRWWRDR 160.5 InChI=1/C1 6/1/2425 16139O=C(Oc1cc(C)c(C)cc1)NC 3,4-DIMEPWCJYTPVN 79.5 InChI=1/C1 10/7/2425 16141CCCCCCCCCCCCCCCl 1-CHLORO RNHWYOLI 4.9 InChI=1/C12425-54-9 16144CC(C)(C)NC=O N-tert-But SDLAKRCB 16 InChI=1/C52425-74-3 16146O=C(C=C)OCCN(CC)CC 2-(DIETHY QHVBLSNV -60 InChI=1/C92426-54-2 16150CCN(CC)C(=O)C(Cl)(Cl)Cl 2,2,2-Tric OIWFZENW 27 InChI=1/C62430-00-4 16157CC(C)CCCCCCO 7-METHYL-QDTDKYHP 64.5 InChI=1/C92430-22-0 16158Clc1cc(C)cc(Cl)c1O 4-METHYL-YXEOEPYIB 39 InChI=1/C7 12/4/2432 16162N#CCCCCCN 6-AminohexKBMSFJFLS -31.4 InChI=1/C62432-74-8 16164O=C(O)CCCCCCCCCCN 11-AminounGUOSQNAU 191 InChI=1/C12432-99-7 16168Cc1c2ccccc2ncc1C 3,4-DIMETQOSYOGXD 73.5 InChI=1/C12436-92-2 16176CCCCCCCCCCCC#N LAURONITRVXCUURYY 4 InChI=1/C12437-25-4 16177C=CCCCCCCCCCCC 1-TRIDECE VQOXUMQB -13 InChI=1/C12437-56-1 16180CC(=O)N(CCC)c1ccccc1 N-Phenyl-NPREAZHGT 49 InChI=1/C12437-98-1 16183CC(C)c1ccccc1C(=O)O O-ISOPROPBANZVKGL 64 InChI=1/C1 4/2/2438 16184Clc1c([N+]([O-])=O)c(Cl)c(Cl) 2,3,5,6-T BGPPUXMK 103 InChI=1/C72438-88-2 16191Cc1ccc2nc3SC(=O)Sc3nc2c1 OXYTHIOQFBQQHUGE 170 InChI=1/C1 1/2/2439 16193Cc1cc(c(O)cc1)n2nc3ccccc3n2-(2-HYDR MCPKSFIN 132 InChI=1/C12440-22-4 16197Clc2ccc(Oc1ccc(Cl)cc1)cc2 4,4'-DichloURUJZHZLC 30 InChI=1/C12444-89-5 16210CC1=Cc2ccccc2OC1=O 2H-1-BENZVIIIJFZJK 91 InChI=1/C12445-82-1 16214Cc1ccc2C=CC(=O)Oc2c1 2H-1-BenzoDLHXRDUX 128 InChI=1/C12445-83-2 16215O=S(=O)(Nc1ncnc(OC)c1OC)cBENZENESUPJSFRIWC 192 InChI=1/C12447-57-6 16218OCCN(CCO)c1ccc(cc1)/N=N/cC.I. SOLVE YNXWXVHBJ 134 InChI=1/C12452-84-8 16231CC1CCCC1C 1,2-DIMETRIRARCHM -117.6 InChI=1/C7822-50-4 16232CC1CCCC1C 1,2-DIMETRIRARCHM -54 InChI=1/C71192-18-3 16232Clc1cncc(Cl)c1 3,5-DICHL WPGHPGAU 66 InChI=1/C52457-47-8 16237Clc1cc(ccc1OP(=S)(OC)OC)[N+DICAPTHOOTKXWJHP 52.5 InChI=1/C82463-84-5 16252O=C(O)C3(O)c1ccccc1c2ccc(C9H-FLUORESVOAUHHK 152 InChI=1/C12464-37-1 16253CC(=O)n1ccnc1 1H-IMIDAZOVIHYIVKEE 102 InChI=1/C52466-76-4 16257CCCCCCCCCCl 1-CHLORO RKAMCQVG -39.4 InChI=1/C92473-01-0 16268O=C2c1ccccc1C(=O)c3c2c(cc 1,4-BIS( QOSTVEDA 220 InChI=1/C12475-44-7 16271Nc3ccc(N)c2C(=O)c1c(N)ccc( 1,4,5,8-T JSFUMBWF 285 InChI=1/C12475-45-8 16272O=C2c1ccccc1C(=O)c3c2c(c C.I. DISPE NLXFWUZK 187 InChI=1/C12475-46-9 16273

CCN(CC)c1ccc(cc1)/N=N/c2ccC.I. SOLVE SJJISKLXU 97.5 InChI=1/C12481-94-9 16286CO[SiH](OC)OC TRIMETHOXYUYCVXFA -115 InChI=1/C32487-90-3 16295[O-][N+](=O)c2ccc(/N=N/c1cc(4-NITROP TZTDJBMG 133 InChI=1/C12491-52-3 16301CN(C)c2ccc(/N=N/c1ccc(cc1)[4-NITRO-( LSFRFLVW 236 InChI=1/C12491-74-9 16304O=C3c2c(ccc1ccccc12)C(=O)cBENZ A ANLHMRXAIR 170 InChI=1/C12498-66-0 16332Cc1cc2ccc3cc4ccccc4cc3c2cc3-MethylbeVYZKVUIQ 156.5 InChI=1/C12498-75-1 16333

Aldrich (1998) O=C(C=C)OCCCCCC 2-PropenoicLNMQRPPR -45 InChI=1/C92499-95-8 16338O=C(OCCOC(=O)C(Cl)(Cl)Cl)C(CEthylene GlSSDZRWBP 40 InChI=1/C62514-53-6 16356O=[N+]([O-])c1ccc(Cl)cc1C(= 2-NITRO-5 ZKUYSJHXB 139 InChI=1/C72516-95-2 16358OC(=O)c1cc(ccc1Cl)[N+]([O-] 2-CHLORO-QUEKGYQT 166.5 InChI=1/C72516-96-3 16359CC3c1ccccc1c2ccccc23 9-METHYL-ZVEJRZRAU 46.5 InChI=1/C12523-37-7 16369O=C(OCC)c1ccccn1 PICOLINIC FQYYIPZPE 1 InChI=1/C82524-52-9 16377CCCCCCC(Cl)=O HEPTANOYLUCVODTZQ -83.8 InChI=1/C72528-61-2 16383Cc1cc2ccc3ccccc3c2cc1 2-METHYL KANLOADZ 58 InChI=1/C12531-84-2 16391C[C@H]1CC[C@@H](C)C1 1,3-DIMETXAZKFISIR -133.7 InChI=1/C72532-58-3 16396Clc1ccc(NC(=O)CCCCC)cc1Cl KARSIL UHNACMYD 106.5 InChI=1/C12533-89-3 16401O=C(OC)C3(O)c1ccccc1c2ccc(CHLORFLULINPVWIE 139 InChI=1/C12536-31-4 16404O=C1NC(=O)NC(=O)C1(CC(C)BARBITURIVNLMRPAW 157.5 InChI=1/C12537-29-3 16406

Tomlin 2003 COP(=S)(OC)SCC(=O)N(C)C=OFORMOTHIAIKKULXC 25.5 InChI=1/C62540-82-1 16412Cc2c4ccccc4cc1c3ccccc3ccc1BENZ(A)ANDIIFUCUPD 141 InChI=1/C12541-69-7 16414CC(=O)CCc1ccccc1 2-ButanoneAKGGYBAD -13 InChI=1/C12550-26-7 16422ClC2(Cl)C1(Cl)C(Cl)=C(Cl)C2(CChlorbicyc FUZORIOH 105 InChI=1/C92550-75-6 16424

Merck Index (2FS(F)(F)(F)(F)F SULFUR HESFZCNBIF -50.8 InChI=1/F62551-62-4 16425O=C(Nc1ccccc1)C(Cl)(Cl)Cl ACETAMIDEGUYVJLNK 96 InChI=1/C82563-97-5 16437CCCCOCOCCCC Butane, 1,1QLCJOAMJ -58.1 InChI=1/C92568-90-3 16443CCCCCCCCCCCCCCCN PENTADECJPZYXGPC 37.3 InChI=1/C12570-26-5 16450O=[N+]([O-])c1ccc(O)cc1C 3-METHYL-PIIZYNQEC 128 InChI=1/C72581-34-2 16475O=CN1CCCCC1 1-Piperidi FEWLNYSY -30.8 InChI=1/C62591-86-8 16486ClC(Cl)(Cl)c1nc(OCC)sn1 ETRIDAZOLKQTVWCSO 19.9 InChI=1/C52593-15-9 16489O=C(OCC)C(SP(=S)(OC)OC)c1FENTHOATXAMUDJHX 17.5 InChI=1/C1 3/7/2597 16492OCCOCCOCCOCCOCCOCCO HEXAETHYLIIRDTKBZ 6 InChI=1/C12615-15-8 16521OB(c1ccccc1)c2ccccc2 Borinic aci VIGVRXYW 57.5 InChI=1/C12622-89-1 16547Cc1ccc(C)c2cccnc12 QUINOLINEVVLZEQKZ 4.5 InChI=1/C12623-50-9 16549O=C(Oc1cc(C)cc(c1)C(C)C)NC3-I-PR-5- DTAPQAJK 87 InChI=1/C12631-37-0 16563O=C(Oc1ccccc1C(C)C)NC ISOPROCA QBSJMKIU 94 InChI=1/C12631-40-5 16564S=P(Oc1ccc(cc1)C#N)(OC)OCCYANOPHOSCKHCCSZ 14.5 InChI=1/C92636-26-2 16569O=C(CCC)OCCCCCC Butanoic acXAPCMTMQ -78 InChI=1/C12639-63-6 16570CCOP(=S)(OCC)SCN1N=Nc2ccAZINPHOS RQVGAIAD 53 InChI=1/C12642-71-9 16576Nc4cc2c(ccc1ccccc12)c3cccc 6-AMINOCKIVUHCNV 210.5 InChI=1/C12642-98-0 16579O=C(Oc1cc(C)cc(C)c1)NC N-ME-3,5- CVQODEWA 99 InChI=1/C12655-14-3 16606O=C(Oc1cc(cc(c1)C(C)(C)C)C(3,5-BIS(T SLZWBCGZ 103 InChI=1/C12655-19-8 16607Oc1ccc(cc1)Sc2ccc(O)cc2 PHENOL, 4,VWGKEVWF 155 InChI=1/C12664-63-3 16612COc1cc(Cl)c(cc1Cl)OC 1,4-DICHL PFIADAMVC 134 InChI=1/C82675-77-6 16623O=C(Oc1cc(C)c(C)c(C)c1)NC N-ME-3,4, AUQAUAIUN 109 InChI=1/C12686-99-9 16632

TOMLIN,CDS (1O=C(Oc1cc(C)c(C)c(C)c1)NC Landrin AUQAUAIUN 99.45 InChI=1/C112407-86-2 16632

Cc1cccc(N)c1N 2,3-DIAMI AXNUJYHF 63.5 InChI=1/C72687-25-4 16633Nc4ccc2c1ccccc1c3cccc4c23 3-FLUORA VHGJAFIH 116 InChI=1/C12693-46-1 16639ClN=O NITROSYL VPCDQGAC -61.5 InChI=1/Cl 2696-92-6 16641Clc1ccccc1/C=C(\C#N)C#N o-ChlorobeJJNZXLAFI 95.5 InChI=1/C12698-41-1 16644FS(F)(=O)=O SULFURYL OBTWBSRJ -135.82 InChI=1/F22699-79-8 16647N#CC(\C#N)=C/c1ccccc1 MALONONITWAVNYPVY 84 InChI=1/C12700-22-3 16648CC(CCC)c1ccccc1 S-AMYLBE LTHAIAJHD -70 InChI=1/C129316-05-0 16661

Lide, DR ET AL Nc1ccc(cc1OC)OC 2,4-DimethGEQNZVKI 33.5 InChI=1/C8 4/8/2735 16685C/C(C)=C\CCC 2-METHYL-BWEKDYGH -130.4 InChI=1/C72738-19-4 16689CC1SC(C)SC(C)S1 2,4,6-TrimeXQVYLDFS 101 InChI=1/C623769-39-3 16728CC1SC(C)SC(C)S1 Thioacetal XQVYLDFS 101 InChI=1/C62765-04-0 16728CCCCCCCCCCCCCCC=O PentadecanXGQJZNCFD 24.5 InChI=1/C1 11/9/2765 16729Clc1cc(OC)c(cc1Cl)OC 4,5-DichlorRJYXLZQZ 83 InChI=1/C82772-46-5 16741

Ullmann CC(C)(\N=C=O)c1cccc(c1)C(C1,3-BIS(1 AZYRZNIYJ -10 InChI=1/C12778-42-9 16747CN(C)C(=S)N(C)C TETRAMETMNOILHPD 79.3 InChI=1/C52782-91-4 16753O=C2c1ccccc1C(=O)C(Cl)=C2 2-AMINO- OBLNWSCLA 199 InChI=1/C12797-51-5 16770Cc2cccc1CCCCc12 NAPHTHALEYXOVIGZJ -23 InChI=1/C12809-64-5 16790CCCCCC#CC 2-OCTYNE QCQALVMF -61.6 InChI=1/C82809-67-8 16791Brc1c(C)c(C)c(Br)c(Br)c1Br 1,2-DimethWVJRAJZM 262 InChI=1/C82810-69-7 16793O=C(C)Oc1c(cc(cc1[N+]([O-])DINOSEB ARDJTWDKS 26 InChI=1/C12813-95-8 16798

CHEM INSPECT Cc1cc(O)nc(n1)C(C)C G 27550 AJPIUNPJB 172.95 InChI=1/C82814-20-2 16799CC1CC(C)C(C)C1 CYCLOPENTAPNUFYSGV -132.6 InChI=1/C84850-28-6 16800CC1CC(C)C(C)C1 1,2,4-Trim PNUFYSGV -132.3 InChI=1/C82613-72-1 16800CC1CC(C)C(C)C1 CYCLOPENTAPNUFYSGV -130.8 InChI=1/C816883-48-0 16800Cc1c(C)c(C)c(C)c(O)c1C PENTAMETWALBTDFSF 128 InChI=1/C12819-86-5 16804CC(=O)OCC(=O)[C@@]54OC(CFormocortaQNXUUBB 181 InChI=1/C22825-60-7 16814O=C(O)CCCCCCCCCCBr UndecanoicIUDGNRWY 57 InChI=1/C1 5/1/2834 16831Cc1ccc(O)cc1N PHENOL, 3NUNAWQZK 157.8 InChI=1/C72836-00-2 16839FC(F)(F)C(Cl)F 1-Chloro-1BOUGCJDA -199 InChI=1/C22837-89-0 16841CCCCCCC(C)CCC DECANE, 4DVWZNKLW -77.5 InChI=1/C12847-72-5 16853NCC1(C)CC(C)(C)CC(N)C1 ISOPHORORNLHGQLZ 10 InChI=1/C12855-13-2 16867o1c5ccccc5nc1c2ccc(s2)c3ncDISPERSE UGFSLKRM 219 InChI=1/C12866-43-5 16877CN(C)CCOC(=O)C(=C)C 2-(DIMETHJKNCOURZ -30 InChI=1/C82867-47-2 16879Cc1cccc(C)c1CC 1,3-DIMETCHIKRULM -16.2 InChI=1/C1 4/4/2870 16887O=C2c1ccccc1C(=O)c3c2c(N)DISPERSE RTUXJTJITX 242 InChI=1/C12872-48-2 16893[O-][N+](=O)c1ccc(cc1)/N=N DISPERSE RFOQABOMY 161 InChI=1/C12872-52-8 16894C=CC(=O)NC(C)(C)CC(=O)C Diacetone OMNKZBIF 57.5 InChI=1/C92873-97-4 16896CC(C)(C)c1ccc2ccccc2c1 NAPHTHALEMCEORGGP -4 InChI=1/C12876-35-9 16897CCCCCCCCCC1CCCCC1 N-NONYLCCLMFECCM -10 InChI=1/C1 2/5/2883 16908CCCCCCCCCCCCCCCCCCS 1-OCTADECQJAOYSPH 30 InChI=1/C12885-00-9 16913CCc1ccc(O)cc1O 1,3-BenzeneVGMJYYDK 98.5 InChI=1/C82896-60-8 16931Clc1ccc(Cl)cc1C(=O)OC METHYL 2,SPJQBGGH 38.5 InChI=1/C82905-69-3 16951Clc1cc(/N=C=O)ccc1 3-CHLOROPHHIRBXHE -4 InChI=1/C72909-38-8 16972CCCCCCCCCCCCCCCCS 1-HEXADECORTRWBYB 19 InChI=1/C12917-26-2 17019CC(=O)CCCCCCCCCCCCCCC 2-HEPTAD TVTCXPXL 48 InChI=1/C12922-51-2 17031

CC(C)NCC(O)COc1cc(C)ccc1 Toliprolol NXQMNKUG 76 InChI=1/C12933-94-0 17050CC(O)CCC(C)O 2,5-HexaneOHMBHFSE 43 InChI=1/C62935-44-6 17052Ic1cc(cc(I)c1O[Na])C#N IOXYNIL-S QGKPUZOF 360 InChI=1/C72961-62-8 17073Clc1c(OCC(=O)O)cccc1Cl 2,3-DICHL RBJIGQRZL 174 InChI=1/C82976-74-1 17101ClCCN(CCCl)C(=O)Oc3cc4CCCEstramustiFRPJXPJM 104.5 InChI=1/C22998-57-4 17134CN(C)c2ccc(/N=N/c1ccccc1[NDIS. A. 15 AZQHHHBF 164 InChI=1/C13010-38-6 17159O=[N+]([O-])c1cc(ccc1O)C=O4-FORMYL-YTHJCZRFJ 141 InChI=1/C73011-34-5 17162N#CSCc1ccccc1 BENZYLTH ABNDFSOI 43 InChI=1/C83012-37-1 17163CCN(CC)c1ccc(cc1)/N=N/c2cccDIS. A. 5 LVQIWDUSU 152 InChI=1/C13025-52-3 17178

BASF MSDS CN(C)CCOCCN(C)C Bis(2-(dimeGTEXIOINC -80 InChI=1/C83033-62-3 17194OCCN1CCCCC1 1-PIPERID KZTWONRV 17.9 InChI=1/C73040-44-6 17221

ALDRICH (2000C=CC2CC1C=CC2C1 VinylnorboINYHZQLK -80 InChI=1/C93048-64-4 17262Kirk-Othmer OO=[N+]([O-])c1c(N)c(c(N)c([N1,3,5-BenzeJDFUJAMT 350 InChI=1/C63058-38-6 17272

Brc1ccc(NC(=O)N(C)OC)cc1 METOBRO WLFDQEVO 95 InChI=1/C93060-89-7 17276CC1CCCC(C)(C)C1 1,1,3-TRI PYOLJOJPI -65.7 InChI=1/C93073-66-3 17292N#CCCN1CCCCC1 1-PiperidinYZICFVIU -6.8 InChI=1/C83088-41-3 17318Clc2ccc3c1ccccc1C(=O)c3c2 2-CHLORO-RBPGISZO 125.5 InChI=1/C13096-47-7 17333O=S(=O)(C)c1ccccc1 SULFONE, JCDWETOK 86 InChI=1/C73112-85-4 17347Ic1cc(I)c(N)c(I)c1C(=O)N(CC IobenzamicFJYJNLIEG 134 InChI=1/C1 5/7/3115 17355

ChemFinder (2C=CC(=O)OCCOC Thiazesim HFCUBKYH -44.6 InChI=1/C63121-61-7 17368CC(=O)CCCC(=O)O Hexanoic acMGTZCLML 13.5 InChI=1/C6 6/1/3128 17383

CRC HandbookBrCC1CO1 ALPHA-EP GKIPXFAA -40 InChI=1/C33132-64-7 17406Clc1ccc(cc1Cl)N(C(=O)c2ccccBENZAMIDEQQXXYTVE 119 InChI=1/C1 12/1/3134 17408Brc1cscc1Br 3,4-DIBR VGKLVWTV 4.5 InChI=1/C43141-26-2 17428Brc1ccc(Br)s1 2,5-DIBR KBVDUUXR -6 InChI=1/C43141-27-3 17429C1CC2CC1C3OC23 exo-2,3-EpOHNNZOOG 123 InChI=1/C73146-39-2 17439Oc1c(cc(Br)cc1Br)C(=O)O Benzoic acBFBZHSOX 228 InChI=1/C73147-55-5 17440O=S(=O)(NC(=O)NCCCC)c1cccPhenbutamAFOGBLYP 131 InChI=1/C13149-00-6 17442OC(=O)c1cnc(N)cc1 3-PyridinecZCIFWRHI 312 InChI=1/C63167-49-5 17469Clc1ccc(Cl)s1 2,5-DICHL FGYBDASK -40.5 InChI=1/C43172-52-9 17474O=C=N\C1CCCCC1 ISOCYANA KQWGXHWJ -80 InChI=1/C73173-53-3 17475

DAUBERT,TE &O=C=N\c2cccc1c2cccc1\N=C1,5-NaphthSBJCUZQN 130.5 InChI=1/C13173-72-6 17476Merck (1989) O=C4c2c(c(N)c1C(=O)c3cccc MethetoinUGXWOQHR 210 InChI=1/C25696-06-0 17479

CC(C)(C)C1CCCCC1 TERT-BUTYXTVMZZBL -41.2 InChI=1/C13178-22-1 17481[O-][N+](=O)c2ccc(/N=N/c1c C.I. DISPE ZGFGZIIG 160 InChI=1/C13179-89-3 17485Oc1ccccc1CCCC 2-BUTYLPHGJYCVCVH -20 InChI=1/C1 9/4/3180 17487Clc2cc(ccc2/N=N/c1ccc(cc1) C.I. 11115 FEJPWLNP 133 InChI=1/C13180-81-2 17488CC(C)CCCCCC 2-METHYL ZUBZATZO -80.3 InChI=1/C93221-61-2 17558CC(C)c1cccc(C)c1O 2-ISOPROPKFETUQFR -14.5 InChI=1/C1 4/4/3228 17565O=C2NCNC2(c1ccccc1)c3cccc4-IMIDAZOFEJIIZAOQ 183 InChI=1/C13254-93-1 17588CC1OC1C OXIRANE, 2PQXKWPLD -85 InChI=1/C421490-63-1 17595CC1OC1C OXIRANE, 2PQXKWPLD -80 InChI=1/C41758-33-4 17595Clc2c1Oc3c(Oc1c(Cl)c(Cl)c2Cl)1,2,3,4,6 FOIBFBMS 330 InChI=1/C13268-87-9 17598ClCC(Cl)(Cl)C(=O)O 2,2,3-TRI QZEKHJXYZ 65.5 InChI=1/C33278-46-4 17620OC(C)(C)C(C)c1ccccc1 BENZENEETXXGXYJJU 46 InChI=1/C1 8/8/3280 17623

CRC (2007) OCC(CBr)(CBr)CO 1,3-PROPANCHUGKEQJ 113 InChI=1/C53296-90-0 17652O=C1NC(=O)N(C)C(=O)C1(CC(BARBITURICWGMASVSH 115 InChI=1/C1125-55-3 17691CC(C)(C#N)C(C)(C)C#N SuccinonitrZVQXQPNJ 170.5 InChI=1/C83333-52-6 17700

ALDRICH (2000Clc1cc(cc(Cl)c1O)C(=O)O Benzoic aciAULKDLUO 265 InChI=1/C73336-41-2 17704Nc1ccc(cc1)S(=O)(=O)NC(=O ASULAM VGPYEHKOI 144 InChI=1/C83337-71-1 17707BrCCCCCCCCCCCCBr Dodecane, ZJJATABW 41 InChI=1/C13344-70-5 17720N#CC=1SC3=C(SC=1C#N)C(=ODITHIANO PYZSVQVR 225 InChI=1/C13347-22-6 17724Cc4cccc2c4ccc1c3ccccc3ccc11-MethylchLQKGSLMF 256.5 InChI=1/C13351-28-8 17732CCCCCCCCCCCCCCCCCCCl 1-CHLORO VUQPJRPD 28.6 InChI=1/C13386-33-2 17766O=C(O)C1CCCC1 CyclopentaJBDSSBMEK -7 InChI=1/C63400-45-1 17789CN(C)CCCN1c3ccccc3Sc2ccc(METHOXYPBRABPYPSZ 46 InChI=1/C161-01-8 17796C=C(C)C(C)CC 2,3-DIMETLIMAEKMEX -134.3 InChI=1/C73404-72-6 17800C=CC(C)(C)CC 3,3-DIMETTXBZITDW -134.3 InChI=1/C73404-73-7 17801CC(=O)c1occc1O Isomaltol HPIGCVXM 100 InChI=1/C63420-59-5 17845C[Si]1(O[Si](C)(O[Si](C)(O1) Cyclotrisil HAURRGAN 100 InChI=1/C2546-45-2 17848Ic1cccs1 2-IODOTHIROIMNSWD -40 InChI=1/C43437-95-4 17866c1cc(ccc1)c2ccncn2 PYRIMIDINEMKLQPIYL 56 InChI=1/C13438-48-0 17868C=CCCCCCCCCCCCCCCCCCC 1-EICOSENVAMFXQBU 28.5 InChI=1/C2 7/1/3452 17879CCCCCCCC#C 1-NONYNEOSSQSXOT -50 InChI=1/C9 9/3/3452 17880CCc1ccc(C=C)cc1 P-ETHYLSTWHFHDVDX -49.7 InChI=1/C1 7/7/3454 17883CS(=O)(=O)OCCCNCCCOS(C)(1-PROPANODBIGHPPN 115.5 InChI=1/C813425-98-4 17892Nc1c(Cl)c(Cl)cc(Cl)c1Cl 2,3,5,6-T YTDHEFNW 107 InChI=1/C63481-20-7 17936SCC(O)C(O)CS 1,4-DithiotVHJLVAAB 42.5 InChI=1/C4 12/3/3483 17939SCC(O)C(O)CS DITHIOERYVHJLVAAB 83 InChI=1/C46892-68-8 17939Clc1c(Cl)c(Cl)c(Cl)c2nccnc12 QUINOXALINHTGQOXR 190 InChI=1/C83495-42-9 17951BrCCCCCCCCCCCCCCCCC 1-BROMOHHHSDZLLPI 32 InChI=1/C13508-00-7 17958CC(C)CCC(C)(C)C 2,2,5-TRI HHOSMYBY -105.7 InChI=1/C93522-94-9 17976O=C2CCSc1ccccc12 4H-1-BENZCVQSWZMJ 29 InChI=1/C93528-17-4 17983Clc1ccc(OCC(=O)NNC(C)C)cc1N'-IPR-(4 GGECDTUJ 93.5 InChI=1/C13544-35-2 17998ClCCN(CCCl)c1ccc(cc1)CC(= PhenesteriSPJCRMJCF 90 InChI=1/C3 10/9/3546 18007CC(c1ccc(Cl)cc1)c2ccc(Cl)cc2 DDE KTEARTXA 56 InChI=1/C1 4/4/3547 18010OCCSCCCCCCCC ETHANOL, KXPXKNBD 0 InChI=1/C13547-33-9 18012ClC(Cl)(Cl)C(O)OC(C)CC(O)(C)ChlorhexadQVFWZNCV 103 InChI=1/C83563-58-4 18027Cc1cc(ccc1SC)OC(=O)NC N-ME CARBSLZKSCPV 117.5 InChI=1/C13566-00-5 18033NC(=O)OC(C#C)c1ccccc1 3-PHENYL-MTTYXGPM 86.5 InChI=1/C13567-38-2 18038Cc1c(cc(cc1N)[N+]([O-])=O)CAnot RBLRQBGO 199 InChI=1/C83572-44-9 18061Oc3ccc4CC2C(C)C(C)(CCN2CCCyclazocin YQYVFVRQL 202.5 InChI=1/C13572-80-3 18063O=C(O)C(CCCC)C(=O)N(Nc1ccBumadizonFLWFHHFTI 116 InChI=1/C13583-64-0 18080COc2nccnc2N(C(C)=O)S(=O)(=Acetyl Sul GWVCIJWB 199 InChI=1/C1 5/4/3590 18094O=C(O)COc1ccccc1 PHENOXYACLCPDWSOZ 98.5 InChI=1/C8122-59-8 18107ClC(Cl)(Cl)CC(Cl)(Cl)Cl 1,1,1,3,3 BBEAZDGZ -27 InChI=1/C33607-78-1 18133Oc1cccc2sccc12 BENZO[B]TBMRZGYNN 79.8 InChI=1/C8 2/4/3610 18134FC(F)(F)c2nc1c(ccc(Cl)c1Cl)n 2-CF3-4,5 KSROTSBU 213.5 InChI=1/C83615-21-2 18149O=C1NC(=O)NC(=O)C1(CC)C3REPOSAL MKELYWOV 213 InChI=1/C13625-25-0 18167

CRC HandbookO=C(OCCCCCCCCCCC)c1cccc DIUNDECYLQQVHEQUE 35.5 InChI=1/C33648-20-2 18193

Aldrich (1998) CC=1OC(C)C(=O)C=1O Furaneol INAXVXBD 80.5 InChI=1/C63658-77-3 18218CCNc1ccc(cc1)[N+]([O-])=O N-ETHYL-4XBNNLAWQ 97 InChI=1/C83665-80-3 18227CCc2cc3ccccc3c1ccccc12 PHENANTHRZWANHXIN 62.5 InChI=1/C13674-75-7 18260CN(C)CC(C)CN2c1ccccc1S(=O)OXOMEMAZQTQPVLDZ 115 InChI=1/C13689-50-7 18281Clc1ccc(cc1)C(c2ccccc2)C(= CHLOROPHUDHXJZHV 140 InChI=1/C23691-35-8 18286Cc2cc4ccccc4c1ccc3ccccc3c15-METHYL GOHBXWHN 118 InChI=1/C13697-24-3 18309Cc4c2c(ccc1ccccc12)c3ccccc 5,6-DIMETSDOJHDGZ 129.3 InChI=1/C23697-27-6 18311

CRC (2000) CCN(O)CC DIETHYLH FVCOIAYSJ 10 InChI=1/C43710-84-7 18340O=C(O)C1CCC1 CyclobutanTXWOGHSR -2 InChI=1/C53721-95-7 18370CC1CCC(CC)C1 CYCLOPENTPQXAPVOKL -108 InChI=1/C82613-65-2 18377CC1CCC(CC)CC1 CYCLOHEXACYISMTMR -80.8 InChI=1/C96236-88-0 18378NCc1ccccn1 2-PYRIDI WOXFMYVT 81 InChI=1/C63731-51-9 18383O=C(O)c2cc(Oc1ccccc1)ccc2 M-PHENOXYNXTDJHZG 149.5 InChI=1/C13739-38-6 18409CCCCCC1CCCC1 CYCLOPENTHPQURZRD -83 InChI=1/C13741-00-2 18410O=C(CCC(N)=O)C(=C)NC(C)= PrimocarciDVMKENUL 130.5 InChI=1/C83750-26-3 18434O=C(Oc1ccccc1C(C)CC)NC N-METHYL DIRFUJHN 31.5 InChI=1/C13766-81-2 18452CC(CC)CC=C 4-METHYL-SUWJESCI -141.5 InChI=1/C73769-23-1 18453Clc2cc(ccc2/N=N/c1ccc(cc1CDISPERSE RNBEXAEYA 192 InChI=1/C13769-57-1 18454Cc2nc(NS(=O)(=O)c1ccc(N)ccSULFAMETQKLSCPPJ 146 InChI=1/C13772-76-7 18460

HPV data CCCCCCCCCCCCCCCCCCOP2ODistearyl pPZRWFKGU 41.5 InChI=1/C43806-34-6 18504O=C(Nc1ncc(s1)[N+]([O-])=O)TenonitrozZLOXYEZY 255.5 InChI=1/C83810-35-3 18505O=C(O)CN2c1c(cccc1Cl)SC2=BENAZOLI HYJSGOXIC 193 InChI=1/C9 5/6/3813 18521CNc3ccc(O)c2C(=O)c1c(ccc(OC.I. DISPE OKZNPGWY 217 InChI=1/C13860-63-7 18585O=C(Oc1c(I)cc(cc1I)C#N)CCC IOXYNIL O QBEXFUOW 59.5 InChI=1/C13861-47-0 18586CC(C)C1CCCC1 ISOPROPY TVSBRLGQV -111.4 InChI=1/C83875-51-2 18604CCCSC N-PROPYLMZOASGOXW -113 InChI=1/C43877-15-4 18607CC1Cc2ccccc2CC1 NAPHTHALEWJRGJANW -43.1 InChI=1/C13877-19-8 18608CC2(CC(C)(C)c1ccccc12)c3ccc1H-Indene, ICLPNZMY 52.5 InChI=1/C13910-35-8 18644OCCCCCCCCCO 1,9-NonaneALVZNPYW 45.8 InChI=1/C93937-56-2 18685CC(C)(C)C(=O)OCC Propanoic aHHEIMYAX -89.5 InChI=1/C73938-95-2 18688Oc1ccc(cc1OC)C(=O)OC BENZOIC ABVWTXUYL 64 InChI=1/C93943-74-6 18693CCC(CC)COC(=O)C=C 2-ETHYLBUJGRXEBOF -70 InChI=1/C9 10/4/3953 18704Clc1cc(Br)ccc1O 4-BROMO-VIBJPUXLA 50.5 InChI=1/C63964-56-5 18707Oc1ccc(cc1Cl)C(=O)O 3-CHLORO-QGNLHMKI 171 InChI=1/C73964-58-7 18708O=[N+]([O-])c1cccc(C(=O)O)c2-CHLORO-JRQDVRIQJ 183.5 InChI=1/C73970-35-2 18716CC(C)(C)C(O)CC 2,2-DIMETHMSVXZJW -5 InChI=1/C73970-62-5 18717CC(C)(C)c1ccncc1 4-(TERT-BUYSHMQTRI -41 InChI=1/C93978-81-2 18724ClP(Cl)(Cl)=S THIOPHOSPWQYSXVGE -35 InChI=1/Cl 3982-91-0 18729Nc1nncs1 2-AMINO-1QUKGLNCX 191 InChI=1/C24005-51-0 18755[O-][N+](=O)c1ccc(O)c2nccccNITROXOLIRJIWZDNT 180 InChI=1/C94008-48-4 18756Oc1cccc(Cl)c1O 3-CHLORO GQKDZDYQ 48.5 InChI=1/C64018-65-9 18771C=CC(CC)CC 3-ETHYL-1 YPVPQMCS -127.5 InChI=1/C7 4/4/4038 18792S=C=N\c1ccc(cc1)\N=C=S Benzene, 1OMWQUXGV 132 InChI=1/C84044-65-9 18799

Aldrich (1998) NCCCCCCO Hexanol, 6SUTWPJHC 57 InChI=1/C64048-33-3 18801C=C(C)CCC=C 2-METHYL-SLQMKNPI -128.8 InChI=1/C74049-81-4 18806

C1C=CC=CCC1 1,3-CYCLO GWYPDXLJ -110.4 InChI=1/C74054-38-0 18810OS(=O)(=O)c1cc(c(O)cc1OC)C5-BENZOYLCXVGEDCS 145 InChI=1/C14065-45-6 18829c1cc(ccc1)N2CCCCC2 N-PHENYLPLLSKXGRD 4.7 InChI=1/C14096-20-2 18878O=[N+]([O-])c1cc(cc([N+]([O-4-(TERT-B NJBDTWSO 95 InChI=1/C14097-49-8 18882O=C1CC(C)C(=O)O1 PYROTATARDFATXMYL 34 InChI=1/C54100-80-5 18891BrC(CCCCCCCC)CBr 1,2-DIBR XBRBOTTW 28 InChI=1/C14101-68-2 18892CCSCCC ETHYLPROPZDDDFDQT -117 InChI=1/C54110-50-3 18902NNC(=O)OCC HydrazinecaVYSYZMNJ 46 InChI=1/C34114-31-2 18903CC(O)CCCCCC dl-2-OctanSJWFXCIHN -31.6 InChI=1/C84128-31-8 18920CC(O)CCCCCC 2-OCTANOSJWFXCIHN 38.6 InChI=1/C8123-96-6 18920CC(C)(C)c1cc(cc(c1O)C(C)(C) Phenol, 2,6BVUXDWXK 44 InChI=1/C14130-42-1 18924CCSc1nc(nc(NC(C)C)n1)NC(C)DIPROPETRNPWMZOGD 105 InChI=1/C14147-51-7 18941Brc1cc(cc(Br)c1OCCO)C(C)(C)ETHOXYLARVHUMFJS 107 InChI=1/C14162-45-2 18949CN(C)[N+]([O-])=O DIMETHYL XRWKADIR 58 InChI=1/C24164-28-7 18955CCC(C(C)CC)C(N)=O ValnoctamQRCJOCOS 113.75 InChI=1/C84171-13-5 18974CCCCCCCCCCCCCCCCCCCCCCTETRACONKUPLEGDPS 82 InChI=1/C44181-95-7 18983OC(C#C)c1ccccc1 BENZENEMEUIGLAZDLB 22 InChI=1/C94187-87-5 18989O=C(CCCCCCCCCCCCCCC)OC Palmitic acBXCRLBBI 51 InChI=1/C14219-49-2 19028BrCCCCCC(=O)O Hexanoic aNVRVNSHH 35 InChI=1/C64224-70-8 19037

Ullmann. A14: O=C(OCC)CCC(=O)CC4(O)C1(Cl)CKelevan POSKOXIJ 91 InChI=1/C14234-79-1 19053CCCS(=O)CCC PROPANE, 1BQCCJWMQ 22.5 InChI=1/C64253-91-2 19078O=C(NCCCC)OCC(C)(COC(=O)Tybamate PRBORDFJH 50 InChI=1/C14268-36-4 19092BrCCCCCCCCCCCCCCCCCCCC1-BROMOECZASMUMJ 37.5 InChI=1/C24276-49-7 19097OC(=O)c1ccc(s1)C(O)=O 2,5-ThiophYCGAZNXX 359 InChI=1/C64282-31-9 19099CCCCCCCI 1-IODOHE LMHCYRUL -48.2 InChI=1/C74282-40-0 19100CCCCCCCCCCCCI 1-IODODOGCDPERPX 0.3 InChI=1/C14292-19-7 19108CCCCCCC1CCCCC1 1-CYCLOHEQHWAQXOS -43 InChI=1/C14292-75-5 19109CCCCCC1CCCCC1 PENTYLCY HLTMUYBT -57.5 InChI=1/C14292-92-6 19110Cc1cc(ccc1N(C)C)/N=N/c2ccc(DIS. A. 16 YGMSETFP 126 InChI=1/C14313-13-7 19132Cc1cc(ccc1N(C)C)/N=N/c2ccccDIS. A. 17 XTRHCXVR 74 InChI=1/C14313-14-8 19133

ALDRICH (2000O=[N+]([O-])c1c(Cl)ncnc1Cl Pyrimidine,HCTISZQL 101.5 InChI=1/C44316-93-2 19136Nc1cnc(N)cc1 2,5-DiaminMIROPXUF 110.3 InChI=1/C54318-76-7 19138Clc2ccc(/N=N/c1ccccc1)cc2 4-CHLORO NJFDMENH 88 InChI=1/C14340-77-6 19167COC(=O)c1ccccc1C(=O)O MONOMETHFNJSWIPF 83 InChI=1/C94376-18-5 19207O=CN1CCOCC1 N-FORMYLLCEDQNDD 21 InChI=1/C54394-85-8 19231O=C2c1ccccc1C(=O)c4c2c(N)C.I. DISPE XUDJOVUR 192 InChI=1/C24395-65-7 19232ClC=1C(OC(=O)C=1Cl)OC2OC(MucochloriPESQEUXE 142 InChI=1/C8 9/3/4412 19258CCCCB(O)O BUTYLBOROQPKFVRWI 95 InChI=1/C44426-47-5 19286CC1CCOS(=O)O1 4-Methyl-[WGMZCGUV 5 InChI=1/C44426-51-1 19288Cc1ccc(cc1C)c2ccccc2 3,4-DIMETCKENDVLI 29.5 InChI=1/C1 11/8/4433 19299C(SSCc1ccco1)c2ccco2 Furan, 2,2'CBJPZHSW 10 InChI=1/C14437-20-1 19306OCCC1CCCCC1 CYCLOHEXQJQZRLXD -20 InChI=1/C84442-79-9 19315CCCCCCCCCCCCCCCCCCCCC1EICOSYLCYPSPNTGGVA 48.5 InChI=1/C24443-55-4 19317CCCCCCCCCCCCCCCCCCC1CCCyclohexanMWWVNZNV 41.6 InChI=1/C2 6/1/4445 19320

CRC HandbookCOc1cc(OC)c(cc1OC)C=O 2,4,5-Trim IAJBQAYH 114 InChI=1/C14460-86-0 19331

O=C3c1ccccc1C(=O)c2c3ccc C.I. DISPE DQIHOZJL 168 InChI=1/C14465-58-1 19333CCC(CCC)c1ccccc1 BENZENE, (SLVCCWGF -55.4 InChI=1/C14468-42-2 19350O=C2c1ccccc1C(=O)c3c2c(c C.I. DISPE PAZPNGYX 248 InChI=1/C14471-41-4 19353CC1CCC(C)(C)C1 1,1,3-TRI OBKHYUIZS -142.4 InChI=1/C84516-69-2 19413Clc1cc(Cl)cc(Br)c1O 6-BROMO-FRPHJINK 68 InChI=1/C64524-77-0 19415CN(C)CCCNc1c3ccccc3nc2ccccNitracrine YMVWGSQG 134.5 InChI=1/C14533-39-5 19425Clc2cc(ccc2/N=N/c1ccc(cc1) C.I. DISPE ZVROYWXE 190 InChI=1/C14540-00-5 19460CC(CCC#N)C#N 2-METHYLPFPPLREPCQ -45 InChI=1/C64553-62-2 19482

Aldrich O=C(O)CC(C)c1ccccc1 3-PHENYL-ZZEWMYIL 38 InChI=1/C14593-90-2 19513CNc1ccccn1 2-METHYL SVEUVITYH 15 InChI=1/C64597-87-9 19516O=C3c1c5ccccc5ccc1c2cc4cc13H-DIBENTVSSQUFH 214 InChI=1/C24599-94-4 19519Brc1c(C)c(Br)cc(Br)c1O 2,4,6-Trib QKHROXOP 84 InChI=1/C74619-74-3 19526Cc1cc2c3ccccc3nc2cc1 3-METHYL PHKYYUQQ 208.5 InChI=1/C14630-20-0 19534C1CCCCC1OC2CCCCC2 CYCLOHEXANOCDXZFSOH -36 InChI=1/C14645-15-2 19544CC(O)CCCCCCCCCCCC 2-TETRAD BRGJIIMZ 34 InChI=1/C14706-81-4 19606Cc1cc(C)ccc1C(C)C BENZENE, AADQFNAA -82 InChI=1/C14706-89-2 19607O=S(C)(=O)c1cc(c(c(c1)[N+]( NITRALIN UMKANAFD 150 InChI=1/C14726-14-1 19622O=[N+]([O-])c1c(cccc1Cl)C(= 3-Chloro-2-VCHSXYHB 238 InChI=1/C74771-47-5 19663O=C(O)C1CC=CCC1 3-CyclohexVUSWCWP 17 InChI=1/C74771-80-6 19664OCc2cccc1ccccc12 1-NAPHTHPBLNHHSD 64 InChI=1/C14780-79-4 19669C1CSCS1 1,3-DITHI IMLSAISZL -50 InChI=1/C3 4/3/4829 19727CC(C)(CC(O)=O)CC(=O)O PentanedioiDUHQIGLH 103.5 InChI=1/C74839-46-7 19739CCCCCCCCCCCCCCCCCl 1-CHLORO CLWAXFZC 17.9 InChI=1/C1 3/1/4860 19747O=C1CCCC1C2CCCC2 1,1'-Bicycl CWZGKTMW -13 InChI=1/C14884-24-6 19756CCCCCCCCOC(=O)CCCCC OCTYL CAPCMNMHJVR -28 InChI=1/C14887-30-3 19759Clc1c(O)cc(Cl)c(Cl)c1Cl 2,3,4,5-T RULKYXXCC 116.5 InChI=1/C64901-51-3 19766COc4cc5CCN[C@H](CC=1C[C@DehydroemXXLZPUYG 95 InChI=1/C24914-30-1 19773O=[N+]([O-])c1c(C)cccc1O 3-METHYL-QIORDSKC 37 InChI=1/C74920-77-8 19776Cc1ccc(cc1)Cc2ccc(C)cc2 BENZENE, HZAWPPRB 28 InChI=1/C14957-14-6 19816

ChemFate (200c1cccc2sc(nc12)SN(C3CCCCC2-BenzothiCMAUJSNX 99.75 InChI=1/C14979-32-2 19825O=C(C)Oc2ccccc2C(=O)Oc1ccBENZOIC ACFEJKLNWA 175 InChI=1/C15003-48-5 19846O=C2c1ccccc1C(=O)N2CC 1H-IsoindolJZDSOQSU 79 InChI=1/C15022-29-7 19862O=S(=O)(Nc1ccccc1)c3cc(c(NcC.I. DISPE BBFRYSKT 156 InChI=1/C15124-25-4 19933CC(C)SCC ETHYL ISO NZUQQADV -122.2 InChI=1/C55145-99-3 19957Cc1nc(nc(O)c1CCCC)N(C)C DimethirimCJHXCRMK 102 InChI=1/C15221-53-4 20014

Tomlin (2003) O=C(Nc1ccccc1)C=2SCCOC=2CARBOXINGYSSRZJIH 91.5 InChI=1/C15234-68-4 20027O=C(NOCC(=O)O)c1ccccc1 BENZADOXWDRGQGLI 140 InChI=1/C95251-93-4 20040

Tomlin (2003) CC=1OCCS(=O)(=O)C=1C(=O)OXYCARBOAMEKQAFG 120 InChI=1/C15259-88-1 20048N#CSc1ccccc1 PHENYLISOYXCDJKQY -21 InChI=1/C7103-72-0 20074OC(=O)CC1CCCCC1 CYCLOHEXYLJOODBDW 33 InChI=1/C85292-21-7 20080Oc4ccc1ccc2cccc3ccc4c1c23 1-Hydroxy BIJNHUAP 180 InChI=1/C15315-79-7 20100CCOc2cccc1ccccc12 1-ETHOXY-APWZAIZN 5.5 InChI=1/C1 1/8/5328 20115Brc1cc2ccccc2nc1 3-BROMOQZGIKWINF 13.3 InChI=1/C95332-24-1 20124CC1CCCC(C)C1O 2,6-DIMETMOISVRZI 32.5 InChI=1/C85337-72-4 20139Cc1ccc(cc1)C(=O)CC 1-(4-METHPATYHUUY 7.2 InChI=1/C15337-93-9 20140

OCc1ccccc1N BenzenemetVYFOAVAD 83.5 InChI=1/C75344-90-1 20149OCc1ccccc1N M-AMINOBVYFOAVAD 94 InChI=1/C71877-77-6 20149COc1ccc(N)cc1Cl 3-CHLORO-XQVCBOLN 52.5 InChI=1/C75345-54-0 20151O=C(NN)c1ccc(N)cc1 4-AMINOBWPBZMCGP 226 InChI=1/C75351-17-7 20160Nc2nc(N)ncc2Cc1ccc(OC)c(O2,4-NH2-5 LDBTVAXG 233 InChI=1/C15355-16-8 20162c5cc6c3cc1ccccc1c4cc2cccccDibenzo(a,JHOWUOKQ 232 InChI=1/C25385-75-1 20188

CRC HandbookO=[N+]([O-])c1cc(Cl)cc(c1N)[2,6-DinitroCLMQUEQF 147 InChI=1/C65388-62-5 20191CC1(CCC(C(=O)O)C1(C)C)C(= CAMPHORICLSPHULWD 189.1 InChI=1/C1124-83-4 20198CC1(CCC(C(=O)O)C1(C)C)C(= CIS-1,2,2 LSPHULWD 187 InChI=1/C15394-83-2 20198NC(=O)OCCO 2-HydroxyeBTDQXGUE 43 InChI=1/C3 1/7/5395 20199O=C(CCc1ccccc1)CCc2ccccc23-PENTANOJENANTGG 13.5 InChI=1/C15396-91-8 20203[O-][N+](=O)c1ccc2c3ccc(cc39H-FLUORENIHZCVUBST 334 InChI=1/C15405-53-8 20209BrC(C)C(Br)C 2,3-DIBR BXXWFOGW -24 InChI=1/C45408-86-6 20215O=C(c1ccccc1)c2cccnc2 PHENYL-B-RYMBAPVT 38 InChI=1/C15424-19-1 20245CC1CC(O)CC(C)C1 3,5-DIMETWIYNOPYN 11.6 InChI=1/C85441-52-1 20286O=C(CCCCCC)OCCCC BUTYL HE YPQSPODH -67.5 InChI=1/C15454-28-4 20298C[C@@H]1C[C@H](O)CCC1 3-METHYLCHTSABYAW -5.5 InChI=1/C75454-79-5 20301O=C2c1ccccc1C(=O)N2CCCBrN-(3-BROMVKJCJJYNV 75 InChI=1/C15460-29-7 20311CC(C)COc1cc2ncc(c(O)c2cc1 BuquinolatLVVXOXRU 289.5 InChI=1/C2 3/3/5486 20350Oc1c(cccc1C(C)CC)C(C)CC 2,6-DI-SE FHTGJZOU -42 InChI=1/C15510-99-6 20381[O-][N+](=O)c4ccc1ccc2cccc Pyrene, 1-nALRLPDGCP 155 InChI=1/C15522-43-0 20390ClC(Cl)C(=O)N(CCOCC)Cc1cccTeclozan MSJLJWCA 140 InChI=1/C25560-78-1 20418OC(CN1C=C(I)C(=O)C(I)=C1)CIopydol TZADDXVK 161 InChI=1/C85579-92-0 20443Fc1c(F)c(F)cc(N)c1F BENZENAMIBEECAQIH 28 InChI=1/C65580-80-3 20449Clc1cc(Cl)c(Cl)nc1OP(=S)(OC CHLORPYRIHRBKVYFZ 43 InChI=1/C75598-13-0 20493CCCCCCCC1CCCCC1 HEPTYLCY MSTLSCNJ -30 InChI=1/C15617-41-4 20521CCN(CC)CC(=O)OCC(=O)C4(OPrednisoloILZSJEITW 176 InChI=1/C25626-34-6 20527O=C(O)C#CCCCCC Oct-2-ynoicBQDKCWCM 4 InChI=1/C85663-96-7 20558CCOc1ccc(cc1OC)Cc3nc(C)cc2DimoxylineNFABMCCM 124.5 InChI=1/C2147-27-3 20564CN(C)c1ccccn1 2-DIMETHYPSHKMPUS 182 InChI=1/C75683-33-0 20570CC(=O)CC(=O)C(=O)O AcetylpyruvUNRQTHVK 99.5 InChI=1/C55699-58-1 20603O=C1C=CC(=O)NN1 MALEIC HYBGRDGMRN 306 InChI=1/C4123-33-1 20632

ChemFate (200N#CCN(CCN(CC#N)CC#N)CC#AcetonitrileFDWRKVKX 128 InChI=1/C15766-67-6 20659N#CC(Br)c1ccccc1 ALPHA-BR XUHFBOUS 29 InChI=1/C85798-79-8 20715O=C(CCCCCCCCCCCCCCCCCCMETHYL H VHUJBYYF 63.8 InChI=1/C25802-82-4 20719Cc2nc1ccccc1n2CC 1H-BenzimiIPNPFISPY 51 InChI=1/C15805-76-5 20723NC(=O)c1cccs1 THIOPHENDENPQNAW 182 InChI=1/C55813-89-8 20732CC(Cc1ccccc1)c2ccccc2 1-METHYL-XLWCIHPM 52 InChI=1/C15814-85-7 20737OC(c1ccc(Cl)cc1)(c2ccc(Cl)c ISOPROPYLAXGUBXVW 73 InChI=1/C1 10/2/5836 20762CCC(N)CO 2-Amino-buJCBPETKZI -2 InChI=1/C413054-87-0 20788CCC(N)CO 2-Amino-1-JCBPETKZI -2 InChI=1/C496-20-8 20788CN(C)c1ccc(O)cc1 4-DimethyJVVRCYWZT 77 InChI=1/C8619-60-3 20816OC(C(N)CC)c1ccccc1 a-(a-AminoUOZNVPFV 79.5 InChI=1/C15897-76-7 20829O=C1NC(C)=C(Cl)C(=O)N1C(C)TERBACIL NBQCNZYJ 176 InChI=1/C95902-51-2 20830O=C(CCCCCCCCCCCCCCCCCCETHYL DO JIZCYLOUI 50 InChI=1/C25908-87-2 20841

CCC(C)CCCCCC NONANE, 3PLZDDPSC -84.8 InChI=1/C1 4/6/5911 20844Clc1nc(NCC)nc(NC(C)(C)C)n1 TERBUTHYLFZXISNSW 178 InChI=1/C95915-41-3 20848O=C(NN)c1ccc(Br)cc1 BENZOYLHYUYIMBYKII 166 InChI=1/C75933-32-4 20861O=C(O)c1cc2ccccc2cc1N 3-AMINO-2XFXOLBNQ 216.5 InChI=1/C15959-52-4 20884CN1Cc2cc3OCOc3cc2CC1 HydrohydraXNZFFRJW 66 InChI=1/C1494-55-3 20932CC1=CCC(CC1)C(C)=C LIMONENEXMGQYMW -95 InChI=1/C1138-86-3 20939CC1=CCC(CC1)C(C)=C S-(-)-LIMO XMGQYMW -90 InChI=1/C15989-54-8 20939CC1=CCC(CC1)C(C)=C D-LIMONE XMGQYMW -74.3 InChI=1/C15989-27-5 20939CCCCCCCCCCCCCC1CCCCC1 N-TRIDECYDKRUJKKW 18.5 InChI=1/C16006-33-3 20954CCCCCCCCCCCCCCCC1CCCCCN-PENTADZNUABQHW 29 InChI=1/C26006-95-7 20955Clc1sc(Cl)c(Cl)c1Cl Tetrachlor WZXXZHON 30.5 InChI=1/C46012-97-1 20971Clc1cccc(C)c1NC(=O)CNCCCCButanilicai VWYQKFLL 45.5 InChI=1/C13785-21-5 21004CC(O)CCC 2-PENTAN JYVLIDXN -73 InChI=1/C56032-29-7 21011O=C2C=CC=C3C1CC(CNC1)CNCYTISINE ANJTVLIZG 152.5 InChI=1/C1485-35-8 21030[O-][N+](=O)c2ccc(/N=N/c1c C.I. DISPE PIBTYZGG 156 InChI=1/C16054-58-6 21040c2cc(Cn1cncn1)ccc2 1H-1,2,4-T BNWQEHYY 49 InChI=1/C96085-94-5 21064C#CCCC(=O)O 4-PENTYNOMLBYLEUJX 57.7 InChI=1/C5 9/4/6089 21069C=C(C)CCCC 2-METHYL-IRUDSQHL -102.8 InChI=1/C7 2/6/6094 21073Cc2cccc1cc3ccc4ccccc4c3cc111-MethylbARHCZXQE 118 InChI=1/C16111-78-0 21092Clc1cc(OC)c(Cl)cc1Cl 2,4,5-TRI SXKBHOQO 77.5 InChI=1/C76130-75-2 21106[O-][N+](=O)c1cc2ccnc2cc1 INDOLE, 5-OZFPSOBLQ 141 InChI=1/C86146-52-7 21124CN3Cc4c1ccccc1n(Cc2ccccc2MebhydrolFQQIIPAO 95 InChI=1/C1524-81-2 21129CC(C)c2cccc1ccccc12 1-ISOPROPPMPBFICD -16 InChI=1/C16158-45-8 21133Clc1cc(C)c(/N=C/N(C)C)cc1 CHLORDIMSTUSTWKEF 35 InChI=1/C16164-98-3 21141C(CCC1CCCCC1)CC2CCCCC2 CYCLOHEXANUWSSRUCE 12 InChI=1/C16165-44-2 21143CC(=O)CCCCCCCCCC METHYL DELSKONYYR 21 InChI=1/C16175-49-1 21153Nc1nc(NC(C)C)nc(Cl)n1 DESETHYLADFWFIQKM 133 InChI=1/C66190-65-4 21157NC(=O)C(CC(C)N(C)C)(c1cccc AminopentNARHAGIV 137 InChI=1/C160-46-8 21159COS(=O)(=O)c1ccc(cc1)[N+]([Methyl p-NRMNJNEUW 94 InChI=1/C76214-20-6 21173Clc2cc(cc(Cl)c2/N=N/c1ccc(c C.I. DISPE MPIGKGDP 127 InChI=1/C16232-56-0 21184BrCc1ccc(cc1)C(=O)O 4-(BROMOMCQQSQBRP 230 InChI=1/C86232-88-8 21185

CRC HandbookNc1cc(ccc1Cl)[N+]([O-])=O 2-Chloro-5-KWIXNFOT 121 InChI=1/C66283-25-6 21272O=C(CC)c1ccc(Cl)cc1 1-PropanonADCYRBXQ 37.3 InChI=1/C9 5/8/6285 21278COc2ccccc2/N=N/c1ccccc1 (2-METHOXJDNOCURW 41 InChI=1/C16319-21-7 21353O=S(N)(=O)c1ccc(cc1)[N+]([O4-NITROB QWKKYJLA 179 InChI=1/C66325-93-5 21360Nc2cccc1c3ccccc3Cc12 9H-FLUORECYSPWCAR 125.5 InChI=1/C16344-63-4 21392OC2CCc1ccccc12 1H-INDEN-1YIAPLDFPU 54.8 InChI=1/C9 10/6/6351 21394O=C(CCCCC)OCCCCCC Hexanoic acNCDCLPBO -55 InChI=1/C16378-65-0 21430Clc1cc(CO)c(OCC(=O)O)cc1 CloxyfonacZJRUTGDCL 141 InChI=1/C96386-63-6 21439

Shiu, WY et al.O=C(Oc1cc(C)c(c(C)c1)N(CC=Allyxycarb FBEHFRAO 67 InChI=1/C16392-46-7 21446Lewis, RJ (2000O=[N+]([O-])c1cc(C)cc([N+]( 2,6-DinitroMOOOPNRP 171.5 InChI=1/C76393-42-6 21447

CCC(CCCC)COC(=O)c1ccc(cc1BIS(2-ETH RWPICVVB -48 InChI=1/C26422-86-2 21471C1CC(CCC1)N2CCOCC2 N-PHENYL BRKHZWFI 52.5 InChI=1/C192-53-5 21477[O-][N+](=O)c2cncn2CCN1C MORPHOLINMDJFHRLT 110.5 InChI=1/C96506-37-2 21533Cc1cc(Cl)c(Cl)cc1Cl 2,4,5-TRI ZCXHZKNW 82.4 InChI=1/C76639-30-1 21642

Clc2cc(ccc2/N=N/c1ccc(cc1) PROPANENITUHWBGWWO 157 InChI=1/C16657-33-6 21650CCCCCCCCCCCCCCCCCCCCCC1-CYCLOPEGNECQVKD 42 InChI=1/C26703-82-8 21682CCCCCCCCCCCc1ccccc1 1-PHENYL XBEADGFT -5 InChI=1/C16742-54-7 21703CCCCCCCCCCCCCCCC=C 1-HEPTADEADOBXTDB 11.5 InChI=1/C16765-39-5 21723O=C(C)c1cccc(c1)C(C)=O M-ACETYL VCHOFVSN 32 InChI=1/C16781-42-6 21733CC(CC)OC SEC-BUTYLFVNIMHIOI -100 InChI=1/C56795-87-5 21740CCCCCCCCCCCCCCCCC1CCCC1-CYCLOH NRHBFNBZ 33.6 InChI=1/C26812-38-0 21749Cc1nnc(Cl)c1[N+](=O)[O-] 1H-PYRAZOZCHRCALA 111 InChI=1/C46814-58-0 21750CCCCCCC(O)CCCCC 6-DODECALRBBIFXI 30 InChI=1/C16836-38-0 21760CC(CC)OC(C)CC DI (SEC-BUHHBZZTKM -100 InChI=1/C86863-58-7 21785C[C@@H]1CCCC[C@H]1C 1,2-DIMETKVZJLSYJR -90 InChI=1/C86876-23-9 21800Nc1ccc(Br)c(C)c1 3-METHYL-MMEGELSF 81 InChI=1/C7 10/4/6933 21844CC(C)OC(=O)CCCCC(=O)OC(CHexanedioicZDQWESQE -1.1 InChI=1/C16938-94-9 21853N#Cc1cc(Br)ccc1 3-BROMOBSTXAVEHF 39.5 InChI=1/C76952-59-6 21865OCCSCCCCCCCCCCSCCO Tiadenol WRCITXQN 69.5 InChI=1/C16964-20-1 21885CCCCCCCCC(C)C 2-METHYL CNPVJWYW -48.9 InChI=1/C16975-98-0 21896CNC(=O)Oc1ccccc1C2OCCO2DIOXACARSDKQRNRR 114.5 InChI=1/C16988-21-2 21901CP(=S)(OCC)OCC PhosphonothGEDUXIUT -84.4 InChI=1/C56996-81-2 21906CN(C)C(C)(C)CO DMAMP XRIBIDPMF 19 InChI=1/C67005-47-2 21914

CRC Handbook O=P(O)(OCCCCCCCCCCCC)OCPhosphoric JTXUVYOA 59 InChI=1/C27057-92-3 21941CCCCCCCCCCCCCCCCCCCCCCTETRATET KMXFZRSJ 87.5 InChI=1/C47098-22-8 21965[O-][N+](=O)N1CCCCC1 PIPERIDINEPFHGNIMW -5.5 InChI=1/C57119-94-0 21977O=C(CCCCCCCCCCCCCC)OC METHYL P XIUXKAZJZ 18.5 InChI=1/C17132-64-1 21988NCC1CCNCC1 4-Piperidi LTEKQAPR 25 InChI=1/C67144-05-0 21997C/C(C)=C(/C)CCC 2,3-DIMETRGYAVZGB -115.1 InChI=1/C87145-20-2 21998Oc1cc(C)c(Cl)cc1[N+]([O-])=O4-CHLORO-JBMGJOKJU 133 InChI=1/C77147-89-9 22002Nc1ccc(Cl)c(C)c1 3-METHYL-HIHCTGNZ 83.5 InChI=1/C77149-75-9 22006O=C(Cl)c1ccccc1Br 2-Bromo-beNZCKTGCK 11 InChI=1/C77154-66-7 22012O=C2COc1ccccc12 3(2H)-BE MGKPCLNU 102.5 InChI=1/C87169-34-8 22025NC(=O)C2c3ccccc3CCc1cccccCyheptamiAPBVLLOR 193.5 InChI=1/C17199-29-3 22071O=C2Oc1c4C5CCOC5Oc4cc(OAFLATOXINWWSYXEZE 287.5 InChI=1/C17220-81-7 22111O=C2Oc1c4C5CCOC5Oc4cc(OAflatoxin GWPCVRWVB 238.5 InChI=1/C17241-98-7 22132Cc1cnc2ccccc2n1 2-METHYL ALHUXMDE 180.5 InChI=1/C97251-61-8 22148Clc1ccc(NC(=O)C(C)(C)CCC)ccMONALIDE KXGYBSNV 87.5 InChI=1/C17287-36-7 22175O=[N+]([O-])OC(CO[N+](=O)[OErythrityl SNFOERUN 61 InChI=1/C47297-25-8 22183N#CC(C)(C)C#N DIMETHYL BCMJJXWX 31.5 InChI=1/C57321-55-3 22200Cc1ccc(Cl)c(Cl)c1Cl 2,3,4-TRI LHOGNQZQ 43.5 InChI=1/C77359-72-0 22272OCCN1CCN(CC1)CCS(=O)(=O HEPES JKMHFZQW 234 InChI=1/C87365-45-9 22278O=C(CCCCCCC)NO OctanohydrRGUVUPQQ 78.75 InChI=1/C8 3/9/7377 22293Cc1cccc(c1)c2ccc(C)cc2 1,1'-BIPHE RBIDPZJTX 14.5 InChI=1/C17383-90-6 22306O=C1C(CCc2nc(C)c(CC)c12) MolindoneKLPWJLBO 180.5 InChI=1/C17416-34-4 22342CCc1ccccc1N3C(C)=Nc2cccc EtaqualoneUVTJKLLU 81 InChI=1/C17432-25-9 22357C[C@@H]1CCCC[C@H]1O 2-METHYLCNDVWOBYB -21 InChI=1/C77443-52-9 22437C[C@H]1CCCC[C@H]1O 2-METHYLCNDVWOBYB 7 InChI=1/C77443-70-1 22439OC(=O)Cc1ccccc1CC(=O)O 1,2-BENZE MMEDJBFV 151 InChI=1/C17500-53-0 22547

CCc1cccc(C=C)c1 M-ETHYLSTXHUZSRRCI -101 InChI=1/C17525-62-4 22567Oc2ccccc2Cc1ccccc1 Phenol, 2- CDMGNVWZ 21 InChI=1/C128994-41-4 22638CCc1ccccc1C=C 2-ETHYLSTVTPNYMSK -75.5 InChI=1/C17564-63-8 22640ClC#CCl DichloroacZMJOVJSTY -66 InChI=1/C27572-29-4 22649CC(Cl)C(C)Cl BUTANE, 2,RMISVOPUI -80 InChI=1/C42211-67-8 22655CC(Cl)C(C)Cl 2,3-DICHL RMISVOPUI -80 InChI=1/C47581-97-7 22655NCCCCCCCCN 1,8-OCTANPWGJDPKC 52 InChI=1/C8373-44-4 22672N#Cc1nc(C#N)nc(C#N)n1 S-TRIAZINEZZJREAPI 119 InChI=1/C67615-57-8 22677Cc1cccc2ncccc12 QUINOLINELMYVCXSK 19 InChI=1/C17661-55-4 22730CC(C)(C)OCC1CO1 Oxirane, ( SFJRUJUE -70 InChI=1/C77665-72-7 22732C(N(Cc1ccccc1)Cc2ccccc2)c3 BenzenemetMXHTZQSK 91.5 InChI=1/C2620-40-6 22739CCC(=O)c1cc2N(CCCN(C)C)c3PropionylpZQTVCQIJ 69.5 InChI=1/C23568-24-9 22768Oc1ccc(Br)cc1[N+]([O-])=O 4-BROMO-CUTFAPGI 92 InChI=1/C67693-52-9 22779ClS(Cl)=O THIONYL CFYSNRJHA -104.5 InChI=1/Cl 9/7/7719 22797

CRC HandbookClP(Cl)Cl PHOSPHORUFAIAAWCV -93.6 InChI=1/Cl 12/2/7719 22798Merck Index P PHOSPHINXYFCBTPG -133 InChI=1/H 7803-51-2 22814Kirk-Othmer P PHOSPHORXYFCBTPG 44.1 InChI=1/H 7723-14-0 22814Merck Index 1 BrBr BROMINE GDTBXPJZ -7.25 InChI=1/Br7726-95-6 22817

CC(=C)C1CC(=O)C(C)CC1 CyclohexanAZOCECCL -11 InChI=1/C1619-02-3 22881ALDRICH (2000CCN1CN(CN(CC)C1)CC Vancide-T XYRTVIAP 70 InChI=1/C97779-27-3 22920Merck Index (2ClCl CHLORINE KZBUYRJD -101 InChI=1/Cl 7782-50-5 22933CRC (2007) [N-]=[N+]=N HYDRAZOICJUINSXZK -80 InChI=1/H 7782-79-8 22937

FS(F)=O THIONYL FLSJNBGSOI -129.5 InChI=1/F27783-42-8 22954CC(=C)C1CCC(C)CC1O CyclohexanoZYTMANIQ 78 InChI=1/C189-79-2 22988

CRC HandbookBrP(Br)Br PHOSPHORIPNPIHIZV -41.5 InChI=1/Br7789-60-8 23016ALDRICH (2000CCOC(CCOCC)OCC Propane, 1,LGICWIVA 53 InChI=1/C97789-92-6 23026

ClS(=O)(=O)O CHLOROSULXTHPWXDJ -80 InChI=1/Cl 7790-94-5 23040ClOCl CHLORINE RCJVRSBW -120.6 InChI=1/Cl 7791-21-1 23048ClS(Cl)(=O)=O SULFURYL YBBRCQOC -54.1 InChI=1/Cl 7791-25-5 23050O=S(=O)=O SULFUR TRAKEJUJNQ 39.55 InChI=1/O3 11/9/7446 23080CC(C)OC(=O)Nc1ccccc1 ISOPROPYLVXPLXMJH 87.3 InChI=1/C1122-42-9 23083OCC(O)COC(=O)CCCCCCCCCCGlyceryl MVBICKXHEK 57 InChI=1/C231566-31-1 23095OCC(O)COC(=O)CCCCCCCCCCOctadecanoVBICKXHEK 74 InChI=1/C222610-63-5 23095C[Si](C)(O[Si](C)(C)C)O[Si](C) OCTAMETHYCXQXSVUQ -80 InChI=1/C8107-51-7 23101Cl\C=C\CCl 1,3-DICHL UOORRWUZ -50 InChI=1/C3542-75-6 23117CC(O)CN(CC(C)O)CC(O)C 2-Propanol, SLINHMUF 45 InChI=1/C9122-20-3 23121Clc2nc(NC1CC1)nc(NC(C)C)n CYPRAZINEOOHIAOSL 167 InChI=1/C922936-86-3 23128O=C(Oc1cccc(c1)NC(=O)OCC)DESMEDIPWZJZMXBK 120 InChI=1/C113684-56-5 23133O=C(Oc1cccc(c1)NC(=O)OC)NPHENMEDIIDOWTHOLJ 143 InChI=1/C113684-63-4 23134O=C(CCCCCCCCCCCCCCCCC) OctadecanoRFVNOJDQ 60.5 InChI=1/C2111-60-4 23148C[Si](C)(C)O[Si](C)(C)C HEXAMETHUQEAIHBTY -66 InChI=1/C6107-46-0 23150Cc1cc(O)no1 3-HYDROXYKGVPNLBXJ 86.5 InChI=1/C410004-44-1 23167CCC(CC)COC(=O)CCCCC(=O)ODi(2-ethybBSJVZANR -15 InChI=1/C110022-60-3 23185

Merck Index Cl[SiH](Cl)Cl TRICHLOROZDHXKXAH -126.5 InChI=1/Cl 10025-78-2 23196Merck Index (2ClP(Cl)(Cl)=O PhosphorusXHXFXVLF 1.25 InChI=1/Cl 10025-87-3 23198

Cl[Si@](Cl)(Cl)Cl TETRACHLOFDNAPBUW -70 InChI=1/Cl410026-04-7 23201SAX ClP(Cl)(Cl)(Cl)Cl PhosphoranUHZYTMXL 148 InChI=1/Cl 10026-13-8 23204

[O-][O+]=O OZONE CBENFWSG -193 InChI=1/O310028-15-6 23208Merck Index CC(N)CC SEC-BUTYLBHRZNVHA -104 InChI=1/C413952-84-6 23255

Brc1cc2ccnc2cc1 5-BROMOIVXWVFZFZ 91 InChI=1/C810075-50-0 23286CC(O)CCCCCCCCCC 2-DODECAXSWSEQPW 19 InChI=1/C110203-28-8 23408S(SN1CCCCC1)N2CCCCC2 PIPERIDINEFAEFMMUO 64.2 InChI=1/C110220-20-9 23420BrC(Br)(C#N)C(N)=O 2,2-DIBRO UUIVKBHZE 124.5 InChI=1/C310222-01-2 23422CC2(C)C1CCC2(C)CC1=O BICYCLO[2.HFQTYOGW 186.5 InChI=1/C110292-98-5 23477

Merck Index (2Br[B@](Br)Br BORONTRIILAHWRKJ -46 InChI=1/BB10294-33-4 23479Merck Index (2Cl[B@](Cl)Cl BORON TRIFAQYAMRN -107 InChI=1/BC10294-34-5 23480

CCOP(=S)(OCC)SC(CCl)N2C(= DIALIFOR MUMQYXAC 68 InChI=1/C110311-84-9 23490CC2(C)C1CCC2(C)C(=O)C1=O DL-CAMPHVNQXSTWC 199 InChI=1/C110373-78-1 23544Clc1ccc2c(c1)C(=NCC(=O)N2 TETRAZEP IQWYAQCH 144 InChI=1/C110379-14-3 23551Clc1cc(C)c(OCCCC(=O)OCC)ccMCPB-ETHXNKARWLG -1 InChI=1/C110443-70-6 23619CCCCCCCCCCCCC=O Tridecanal BGEHHAVM 14 InChI=1/C110486-19-8 23643

CRC (2007) [O-][N+](=O)[N+]([O-])=O NITROGEN WFPZPJSA -9.3 InChI=1/N210544-72-6 23681C/C(C)=C(/C)CC 2,3-DIMETWFHALSLY -118.3 InChI=1/C710574-37-5 23718ClC(Cl)(P(O)(=O)O)P(=O)(O)OClodronic AACSIXWWB 250 InChI=1/CH10596-23-3 23731Brc2c(cc(cc2/N=N/c1cc(OCC)DISPERSE BKOAZOWWC 157 InChI=1/C212239-34-8 23821O=C(C)NC(CCC(N)=O)C(=O)OAceglutamKSMRODHG 197 InChI=1/C72490-97-3 23836OC(C1CC1)(c2cncnc2)c3ccc(OANCYMIDOHUTDUHSN 110.5 InChI=1/C112771-68-5 23841Clc1ccc(cc1Cl)C(Cl)(Cl)Cl Benzene, 1,ATYLRBXE 25.8 InChI=1/C713014-24-9 23874Clc2ccccc2c1ccccc1Cl 2,2'-DICH JAYCNKDKI 61.5 InChI=1/C113029-08-8 23886Oc1ccc(OCCCCCCC)cc1 4-(HEPTYL HZBABTUF 61.5 InChI=1/C113037-86-0 23889S=P(OCC)(Oc1ccc(C#N)cc1)c2CYANOFENLRNJHZNP 83 InChI=1/C113067-93-1 23911CC(C)(C)SCSP(=S)(OCC)OCC TERBUFOSXLNZEKHU -29.2 InChI=1/C913071-79-9 23912Nc1ccc(cc1)C(=O)OCCCCC BENZOIC AVKYWCHMX 52 InChI=1/C113110-37-7 23947O=S1CCC1 THIETANE, GINSRDSE 31.5 InChI=1/C313153-11-2 23987CN(N=O)CC(=O)O N-NITROSOHJMPSKKJ 66.5 InChI=1/C313256-22-9 24047Cn2nnc1ccccc12 1-METHYLBHXQHRUJX 64.5 InChI=1/C713351-73-0 24133Clc1cc(NC(=O)N(C)OC)ccc1BrCHLORBR NLYNUTMZ 96 InChI=1/C913360-45-7 24141C=CCCCCCCCCCCCCC 1-PENTAD PJLHTVIBE -2.8 InChI=1/C113360-61-7 24142

Ashford CCNCCCC 1-ButanamiQHCCDDQK -78 InChI=1/C613360-63-9 24143O=C(OCC)c1cn2nc(cc2nc1C)OPYRAZOPHJOOMJVFZ 51 InChI=1/C113457-18-6 24247CC(C)(C)C(C)(C)CCC 2,2,3,3-T RMQHJMMC -54 InChI=1/C113475-81-5 24271CC(C)(C)CC(C)CC(C)(C)C Heptane, 2VKPSKYDE -67 InChI=1/C113475-82-6 24272CC(C)(C)C1CCCCC1O CyclohexanoDLTWBMHA 45 InChI=1/C113491-79-7 24282CN(C)C2=Nc1ccc(C)cc1N3C(=Apazone MPHPHYZQ 247 InChI=1/C113539-59-8 24310CCC(O)CN 1-Amino-2-KODLUXHS 3 InChI=1/C413552-21-1 24319CCOP(=S)(OCC)Oc1cnc2cccccQUINALPHJYQUHIFY 31.5 InChI=1/C113593-03-8 24335[O-][n+]1ccc(cc1)C(O)=O ISONICOTINQCWTWMJM 270.5 InChI=1/C613602-12-5 24341Brc1c(c(Br)c(Br)c(Br)c1Br)c2cDECABROMAQPHBYQU 375 InChI=1/C113654-09-6 24375OCCN(CCO)c1nc2c(nc(nc2cn MopidamolFOYWNSCC 157.5 InChI=1/C113665-88-8 24383ClCC(C)OP(=O)(OC(C)CCl)OC(2-PROPANOKVMPUXDN -40 InChI=1/C913674-84-5 24387

ClCC(OP(=O)(OC(CCl)CCl)OC(CTRIS(1,3- ASLWPAWF 27 InChI=1/C913674-87-8 24388CC(=O)C3(OC(C)=O)CCC2C4CDelmadinonCGBCCZZJ 168 InChI=1/C213698-49-2 24407Clc1ccc(OCC(=O)O)cc1 P-CHLOROPSODPIMGU 164 InChI=1/C8122-88-3 24438CC(=O)Oc3cccc2C(=O)c1cc(c Diacerein TYNLGDBU 217.5 InChI=1/C113739-02-1 24456CC(C)C(C)CCCC HEPTANE, WBRFDUJX -116 InChI=1/C93074-71-3 24571O=C(OC)c2cnc3cc(OCc1cccccNequinate NNOPDLNH 287.5 InChI=1/C213997-19-8 24579NC(=O)C1CCN(CC1)CCCN2c4ccMetopimazBQDBKDMT 170.5 InChI=1/C214008-44-7 24584CC(=O)Oc1ccc(cc1)C2(Oc3cc Bisoxatin AZCBJDQBSL 190 InChI=1/C214008-48-1 24586O=C(CCCCCCCCCCCCCCCC)O ETHYL MA KNXMUFRW 28 InChI=1/C114010-23-2 24592CC1(C)CC=CCC1 CYCLOHEXEDRORSPJL -74.4 InChI=1/C814072-86-7 24634CCCCCCCCCCCCCCCCCCCCCCN-TETRAT GWVDBZWV 72.6 InChI=1/C314167-59-0 24702C1COc3ccccc3OCCOCCOc2cc[3,3]DB18 YSSSPARM 163 InChI=1/C214187-32-7 24722

Shiu, WY et al.FC(F)(F)c2nc1cc(Cl)c(Cl)cc1 Fenazaflor ISVQSVPU 103 InChI=1/C114255-88-0 24776Clc1ccc(CC(C)(C)NC(=O)OCC)Cloforex TZWKUQDQ 52.75 InChI=1/C114261-75-7 24781CC(C)C(C)C(=O)O 2,3-DIMETXFOASZQZ -1.5 InChI=1/C614287-61-7 24786

Lide & Milne ( Brc1cc(Br)c(Br)c(Br)c1O 2,3,4,6-T CXPJZISGV 113.5 InChI=1/C614400-94-3 24841Clc2ccc(NC(=O)c1cc(I)cc(I)c Clioxanide ICKMASVV 215.5 InChI=1/C114437-41-3 24870CC(=O)OCC(=O)C54N=C(C)OCDeflazacorFBHSPRKO 256 InChI=1/C214484-47-0 24883Cc2ccccc2Oc1cccnn1 3-(2-MethyDNPSYFHJY 78 InChI=1/C114491-59-9 24889O=C(c1ccccc1)c2ccncc2 4-BENZOYLSKFLCXND 72 InChI=1/C114548-46-0 24905NC(=O)c1cc(OC)c(OCCCCCCCCDecimemidREYUZOLYI 121.5 InChI=1/C114817-09-5 25078CC(C)c1ncc([N+]([O-])=O)n1C1H-IMIDAZNTAFJUSD 60 InChI=1/C714885-29-1 25097Oc1ccc(CCCCC)cc1 4-PENTYLPZNPSUQQX 23 InChI=1/C114938-35-3 25119CC(CCC)C(O)CC 3-HEPTANOBKQICAFA -123 InChI=1/C814979-39-6 25131

ChemFinder (2Brc4c5Oc1c(Br)c(O)c(Br)cc1 D & C Red DBZJJPROP 295 InChI=1/C215086-94-9 25161ClC(Cl)C(Cl)C(Cl)Cl 1,1,2,3,3 PANVCEBT -10 InChI=1/C315104-61-7 25168O=[N+]([O-])c1ccccc1CCO BenzeneethSLRIOXRB 2 InChI=1/C815121-84-3 25177OCC(=O)C4(OC(=O)CCCC)CCCPrednival BOFKYYWJ 211.5 InChI=1/C215180-00-4 25244CC(C)(C)CC(C)(C)CC(C)(C)CC( 2-METHYL-RDUBCTHN -98 InChI=1/C115220-85-6 25257OCc1c(Cl)cccc1Cl BENZENEMEWKKHCCZL 98 InChI=1/C715258-73-8 25276CCN(CC)C(=O)C(C)Oc2cccc1cN,N-DIETHWXZVAROI 75 InChI=1/C115299-99-7 25304O=C(Nc1ccccc1)c2ccccc2I BENZAMIDELJOZMWRY 137 InChI=1/C115310-01-7 25310[O-][N+](=O)c1ccc(cc1)Oc2cccFLUORODI HHMCAJWV 94 InChI=1/C115457-05-3 25404CCP(CC)CC Phosphine, RXJKFRMD -88 InChI=1/C6554-70-1 25463CC(C)(S)C(NC(=O)C)C(=O)O N-AcetylpeMNNBCKAS 183 InChI=1/C715537-71-0 25469Cc1ccc(NC(=O)N(C)C)cc1Cl CHLORTOLJXCGFZXS 148.1 InChI=1/C115545-48-9 25472N#Cc1cc2ccnc2cc1 INDOLE-5- YHYLDEVW 107 InChI=1/C915861-24-2 25604Clc2cc(c1ccccc1)c(Cl)cc2Cl 2,4,5-TRI VGVIKVCC 76.3 InChI=1/C115862-07-4 25605CCCCC(C)CCCC NONANE, 5TYSIILFJZ -87.7 InChI=1/C115869-85-9 25609C=C(C)CCCCC 2-METHYL-RCBGGJUR -90 InChI=1/C815870-10-7 25610Oc1ccc(Cl)c(Cl)c1Cl 2,3,4-TRI HSQFVBWF 83.5 InChI=1/C615950-66-0 25672O=C(O)C(C)CN(C(C)=O)c1c(I)ccIocetamic GSVQIUGO 224 InChI=1/C116034-77-8 25724Clc1cnc(Cl)c(Cl)c1 2,3,5-TRI CNLIIAKAA 49 InChI=1/C516063-70-0 25741Clc1cnc(Cl)cc1 2,5-DICHL GCTFDMFL 60.5 InChI=1/C516110-09-1 25757CCNC(=O)C(C)OC(=O)Nc1ccccCarbetami AMRQXHFX 119 InChI=1/C116118-49-3 25761

Cc1cc(C)ccc1CO 2,4-DIMETQUIMJTKR 22 InChI=1/C916308-92-2 25874O=C(OCC)N1c2ccccc2C=CC1 1(2H)-QuinoGKQLYSROI 56.5 InChI=1/C116357-59-8 25898CN(C)C(Cl)=S CarbamothiPHWISQNX 42.5 InChI=1/C316420-13-6 25932O=C(O)CCC(C)c1ccccc1 4-PhenylpeUIIMQLPO 13 InChI=1/C116433-43-5 25938Cc1ccc(N)cc1OC 5-AMINO-2ONADZNBS 56.5 InChI=1/C816452-01-0 25942CN1CCC(CC1)N(Cc2cccs2)c3cThenaldineKLOHYVOV 96 InChI=1/C186-12-4 25957

ALDRICH (2003Brc1ccc(CC#N)cc1 BenzeneaceMFHFWRBX 48 InChI=1/C816532-79-9 25968O=NN2CCCC2c1cnccc1 3-(1-NITR XKABJYQD 47 InChI=1/C916543-55-8 25973CN(C)O N,N-DIME VMESOKCX 108 InChI=1/C 16645-06-0 26020ClCCP(=O)(O)O ETHEPHONUDPGUMQD 74 InChI=1/C216672-87-0 26031ClCCP(=O)(O)O ETHEPHONUDPGUMQD 74.5 InChI=1/C211672-87-0 26031CC(CC)CC(C)(C)C 2,2,4-TRI AFTPEBDO -120 InChI=1/C916747-26-5 26064CC(C)C(C)(C)CCC 2,3,3-TRI DJYSEQMM -116.8 InChI=1/C916747-28-7 26065CC(C)CC(C)(C)CC 2,4,4-TRI SVEMKBCP -113.4 InChI=1/C916747-30-1 26066CC(CC)C(C)(C)CC 3,3,4-TRI ARWOOWBJ -101.2 InChI=1/C916747-31-2 26067CCC(CC)C(C)(C)C 2,2-DIMETCLZCPQKG -99.3 InChI=1/C916747-32-3 26068CC(C)C(C)(C)C(C)C 2,3,3,4-T JLCYYQOQ -102.1 InChI=1/C916747-38-9 26070CC1(CC)CCCC1 CYCLOPENTLETYIFNDQ -143.8 InChI=1/C816747-50-5 26072Clc1cc(OC)c(OC)c(Cl)c1Cl 3,4,5-TrichVKNITLPEN 66 InChI=1/C816766-29-3 26090Oc1ccc(Cl)cc1OC 4-ChloroguFVZQMMMR 16.5 InChI=1/C716766-30-6 26091Cc1ncc([N+]([O-])=O)n1CC(O)1(3CL2OHPIPWKIXLW 77.5 InChI=1/C716773-42-5 26102ClC(Cl)(Cl)C(=O)CCl 1,1,1,3-T MSZQBKOL 65 InChI=1/C316995-35-0 26223CC(C)(C)c2cccc1ccccc12 NAPHTHALESPLGZANL -11.3 InChI=1/C117085-91-5 26283CCN(CC)CCn2cnc1c2C(=O)N( EtamiphyllAWKLBIOQ 75 InChI=1/C1314-35-2 26354OC(CC)C(CC(C)N(C)C)(c1cccccDimepheptQIRAYNIF 127 InChI=1/C2545-90-4 26418COc2c4ccoc4cc3OC(COC1OC(Khellol GluSJRACCTZ 179 InChI=1/C117226-75-4 26423CCCC(C)CCCCC NONANE, 4IALRSQMW -99 InChI=1/C117301-94-9 26473CC(C)(C)OC(C)C ISOPROPYLHNFSPSWQ -88 InChI=1/C717348-59-3 26504O=C2c1ccccc1C(=O)c3c2c(N)C.I. DISPE MHXFWEJM 185 InChI=1/C217418-58-5 26544FC(F)(C(=O)CC(=O)C(C)(C)C)C(1,1,1,2,2, SQNZLBOJ 38 InChI=1/C117587-22-3 26612CC(NC(C#N)c1ccccc1)Cc2ccccAmphetamiNFHVTCJK 86 InChI=1/C117590-01-1 26613Clc1ccc([N+]([O-])=O)c(Cl)c1C2,3,4-TRI BGKIECJVX 55.5 InChI=1/C617700-09-3 26691O=C(O)c2cccnc2Nc1cccc(Cl)cClonixin CLOMYZFH 234 InChI=1/C117737-65-4 26711

HPV data O=C3c1ccccc1C(=O)N3SC2CCN-(CycloheUEZWYKZH 92.6 InChI=1/C117796-82-6 26768OCc1ccccc1Cl BENZENEMEMBYQPPXE 73 InChI=1/C717849-38-6 26799Cc1cc(C)c(C)cc1CC BENZENE, 1IYFUQKGD -13.5 InChI=1/C117851-27-3 26801

on-line InterneC[Si](C)(C)O[Si](C)(O[Si](C)(C METHYLTRIRGMZNZAB -76 InChI=1/C117928-28-8 26824O=C(O)Cc1sc(nc1c2ccc(Cl)cc2FENTIAZACJIEKMACR 161.5 InChI=1/C118046-21-4 26854Clc1cc(I)c(Cl)cc1OP(=S)(OC)OIODOFENPLFVLUOAH 72.5 InChI=1/C818181-70-9 26915OC(c1ccc(Br)cc1)(c2ccc(Br)c ISOPROPYLFOANIXZH 77 InChI=1/C118181-80-1 26916O=C(CCCCCCCCCCCCCCCCCCETHYL EIC YBKSMWBL 50 InChI=1/C218281-05-5 26986CC2(C)C1CC2C(=O)C=C1C Bicyclo 3.1DCSCXTJO 9.8 InChI=1/C118309-32-5 27001CCCCCCCCCCCCCCCCCC=C 1-NONADENHLUYCJZ 23 InChI=1/C118435-45-5 27049NC(=O)CN1Cc2ccccc2OC1=OCaroxazon KYCBWEZL 204 InChI=1/C118464-39-6 27057CNC(=O)N(C)c1nc2ccccc2s1 MethabenzRRVIAQKB 120 InChI=1/C118691-97-9 27173

CC(C)COC(=O)c1ccc(cc1)C(=O1,4-BENZE LQKWPGAP 55 InChI=1/C118699-48-4 27175O=[N+]([O-])c1c(Cl)cc(Cl)cc1CBENZENE, 1AEBJDOTVY 72 InChI=1/C618708-70-8 27183Oc1ccc(OCCC)cc1 PHENOL, 4KIIIPQXXL 56.5 InChI=1/C918979-50-5 27296Oc1ccc(OCCCCCC)cc1 4-HEXYLO XIIIHRLCK 46 InChI=1/C118979-55-0 27298O=S(N)(=O)c1cc(c(c(c1)[N+]( ORYZALIN UNAHYJYO 141 InChI=1/C119044-88-3 27326Cc3cc(OP(=O)(Oc1cc(C)ccc1C2,5-XylenolMDHAARLW 79.8 InChI=1/C219074-59-0 27334O=S2(=O)CCN(CN1CCS(=O)(=TaurolidineAJKIRUJID 156 InChI=1/C719388-87-5 27486Clc1cccc(Cl)c1Br 1-BROMO-2UWOIDOQA 65 InChI=1/C619393-92-1 27488Clc1ccc(Cl)c(C)c1 Benzene, 1KFAKZJUY 5 InChI=1/C719398-61-9 27492

Lide, DR et al. O=[N+]([O-])c1cc(N)cc(c1C)[ 4-Amino-2,KQRJATLIN 171 InChI=1/C719406-51-0 27494Clc2cc1Oc3cc(Cl)c(Cl)c(Cl)c3 1,2,3,7,8 LGIRBUBH 243 InChI=1/C119408-74-3 27495Brc1ccccc1CC#N (2-Bromo-pBVCOJESIQ 1 InChI=1/C819472-74-3 27535

Shiu, WY et al.O=C(NCCCN(C)C)SCC Carbamic acYRRBXJLF 120.5 InChI=1/C819622-19-6 27597O=C2OC(=NN2c1cc(OC(C)C)c(COXADIAZOCHNUNORX 90 InChI=1/C119666-30-9 27628[O-][N+](=O)c1ccc2CCNc2c1 1H-INDOLE,LTNYDSMD 68 InChI=1/C819727-83-4 27653Clc1cc(Br)cc(Cl)c1 Benzene, 1DZHFFMWJ 83 InChI=1/C619752-55-7 27660

AmiodaroneITPDYQOU 156 InChI=1/C219774-82-4 27664CCCCCCCCCCCCCCCCCC1CCCHEPTADECVLHZQNGN 38 InChI=1/C219781-73-8 27670COc1ccc(cc1Cl)NC(=O)N(C)C METOXUR DSRNRYQB 126.5 InChI=1/C119937-59-8 27749CCCCCCCCSC#N 1-ThiocyanFGVYCHQR 105 InChI=1/C919942-78-0 27750Clc2c1ccccc1c(Cl)c(Cl)c2Cl 1,2,3,4-T NAQWICRL 198 InChI=1/C120020-02-4 27793

SHIU,WY ET AL.Clc1ccc(NC(NC=O)C(Cl)(Cl)Cl)Chloranifo REEFSLKD 135 InChI=1/C920856-57-9 28170O=C1C(=NN=C(SC)N1N)C(C)(CMETRIBUZIFOXFZRUH 126 InChI=1/C821087-64-9 28287

SHIU,WY ET AL.CC(C#C)N(C(=O)CCl)c1ccccc1PrynachlorDGPBHERU 43.5 InChI=1/C121267-72-1 28361Cc1cc2c(cc1)nc(C)c2C 1H-INDOLE,HOFNMMIH 121.5 InChI=1/C121296-92-4 28386O=C2CN(CC(C)N1CC(=O)NC(=Razoxane BMKDZUIS 238 InChI=1/C121416-87-5 28423COc1c(cc(cc1OC)C(=O)NCCC Capobenic MPTXLVRH 122 InChI=1/C121434-91-3 28425Clc2cccc(Cl)c2OC(C)C1=NCC Lofexidine KSMAGQUY 127 InChI=1/C131036-80-3 28460CC1Cc2ccccc2CC1C NAPHTHALENJOXXZPR -5 InChI=1/C121564-92-1 28481Clc2cc(OP(=S)(OC)c1ccccc1)cLEPTOPHOCVRALZAYC 70.4 InChI=1/C121609-90-5 28496Clc1nc(NCC)nc(NC(C)(C)C#N)CYANAZINEMZZBPDKV 168 InChI=1/C921725-46-2 28552CC(C)C(C(C)C)c1ccccc1 BENZENE, GKGTVJOY -24.5 InChI=1/C121777-84-4 28580O=C1C=CCC(O1)C(O)C3CC=2CRubratoxinZJTBTDVZ 170.5 InChI=1/C221794-01-4 28591CCC(O)CNCC(O)CC Di-sec-but KQIXMZWX 69 InChI=1/C821838-75-5 28603CC(=O)c1cnccn1 ACETYLPYRDBZAKQWX 77 InChI=1/C622047-25-2 28682Clc1cc(ccc1OCC=C)CC(=O)O ALCOFENAARHWPKZX 92.5 InChI=1/C122131-79-9 28714Nc1nc(N)nc2ncnc12 1H-Purine-MSSXOMSJ 302 InChI=1/C51904-98-9 28738NCc1cccnc1 3-PYRIDI HDOUGSFA -21.1 InChI=1/C63731-52-0 28777Cc1cc(ccc1SC)OP(=O)(NC(C) FENAMIPHZCJPOPBZ 49 InChI=1/C122224-92-6 28827S=C1N(C=CN1C)C(=O)OCC TYRAZOL CFOYWRHI 123.5 InChI=1/C722232-54-8 28829CC(N)CCc1ccccc1 BENZENEPRWECUIGDE 143 InChI=1/C122374-89-6 28910O=C1C=CCC(O1)C(O)C3CC=2CRubratoxinXOEFANNJ 214 InChI=1/C222467-31-8 28923[O-][N+](=O)c4ccc2c3c4cccc33,9-Dinitr FGDKXSJX 223 InChI=1/C122506-53-2 28928O=C(OCC)N2C(=O)c1ccccc1CN-CARBET VRHAQNTW 91 InChI=1/C122509-74-6 28929CCc1ccc2CCCCc2c1 NAPHTHALEDLHGUEXP -70 InChI=1/C122531-20-0 28931

S=P(Oc1cc(C)c(cc1)[N+]([O-] FENITROTHZNOLGFHPU 3.4 InChI=1/C9122-14-5 28941O=C1C=C(CC(C)(C)C1)OC(=O)DIMETAN ITEQSCBL 45.5 InChI=1/C1122-15-6 28942O=C(C)Nc1cccc(c1)[N+]([O-])M-NITROACKFTYNYHJ 155 InChI=1/C8122-28-1 28947Oc1ccc(cc1OC)CCC(C)=O 2-ButanoneOJYLAHXK 40.5 InChI=1/C1122-48-5 28952

Verschueren c2ccc(OCC1CO1)cc2 PHENYL GLFQYUMYWM 3.5 InChI=1/C9122-60-1 28958O=C(CCCCCCCCC(=O)OCC(CCDecanedioicVJHINFRR -48 InChI=1/C2122-62-3 28959N(Nc1ccccc1)c2ccccc2 HYDRAZOBYBQZXXME 131 InChI=1/C1122-66-7 28962O=C(C)Oc1ccccc1 PHENYL ACIPBVNPXQ -30 InChI=1/C8122-79-2 28969Oc1ccc(OCCCC)cc1 4-BUTOXY MBGGFXOX 65.5 InChI=1/C1122-94-1 28973OCCNc1ccccc1 2-ANILINOMWGATWIB 11 InChI=1/C8122-98-5 28975CCCCCCCCCCCCc1ccccc1 DODECYLBKWKXNDCH 3 InChI=1/C1123-01-3 28977CCCCCCCCCCCCCc1ccccc1 1-PHENYLTMCVUKOYZ 10 InChI=1/C1123-02-4 28978CCc1ccc(O)cc1 P-ETHYLPHHXDOZKJG 45 InChI=1/C8123-07-9 28982

CRC (2007) CCCC(=O)CCC DI(N-PROPHCFAJYNV -33 InChI=1/C7123-19-3 28986CCCC(=O)OC=C Vinyl butyrMEGHWIAO 116.7 InChI=1/C6123-20-6 28987O=C(CCC(=O)O)OOC(=O)CCC SUCCINYL MKTOIPPV 127 InChI=1/C8123-23-9 28988

ALDRICH (2000O=C(OCCCCCCCCCCCC)CCSCCPropanoic aGHKOFFNL 41 InChI=1/C3123-28-4 28990O=C(CCCCCCCC)OCC ETHYL NO BYEVBITUA -36.7 InChI=1/C1123-29-5 28991Cc1cnc(C)cn1 2,5-DIMETLCZUOKDV 15 InChI=1/C6123-32-0 28992O=C(O)CS(=O)(=O)O Acetic acid,AGGIJOLUL 85 InChI=1/C2123-43-3 28997CC(C)CCO ISOPENTA PHTQWCKD -117.2 InChI=1/C5123-51-3 29000

CRC HandbookCC(=O)CC(C)=O 2,4-PENTAYRKCREAY -23 InChI=1/C5123-54-6 29001ALDRICH (2000O=C=N\c1cccc(c1)/N=C=O Benzene, 1VGHSXKTV 50 InChI=1/C8123-61-5 29002

CCC(=O)OC(=O)CC PROPIONICWYVAMUWZ -45 InChI=1/C6123-62-6 29003O=C(CCCCC)OCC ETHYL HEXSHZIWNPU -67 InChI=1/C8123-66-0 29005

CRC HandbookC1CCCN1 PYRROLIDIRWRDLPDL -57.8 InChI=1/C4123-75-1 29008CCCCCCCCOC(=O)CCCCC(=O)DIOCTYL ANEHDRDVH -70 InChI=1/C2123-79-5 29011CC(=O)OCCCC N-BUTYL ADKPFZGUD -78 InChI=1/C6123-86-4 29012

Merck Index C1COCCO1 1,4-DIOXA RYHBNJHY 11.8 InChI=1/C4123-91-1 29015CC(=O)OCCC(C)C ISOAMYL AMLFHJEHSL -78.5 InChI=1/C7123-92-2 29016O=C(O)CSCC(=O)O Acetic acid,UVZICZIVK 129 InChI=1/C4123-93-3 29017O=C(CCCCCCCCCCCCCCCCC) N-BUTYL S ULBTUVJT 27 InChI=1/C2123-95-5 29018O=C(CCCCCCCCCCCCC)OCC ETHYLMYRIMMKRHZKQ 12.3 InChI=1/C1124-06-1 29023O=C(CCCCCCCCCCCCC)OC METHYL MYZAZKJZBW 19 InChI=1/C1124-10-7 29024CCCCCCCC=C ISONONENJRZJOMJE -81.3 InChI=1/C9124-11-8 29025CCCCCCCC#N OCTANONITYSIMAPNU -45.6 InChI=1/C8124-12-9 29026

CRC HandbookCCCCOCCOCCOC(C)=O DIETHYLENVXQBJTKS -32 InChI=1/C1124-17-4 29028ChemFinder (2CCCCCCCCCCCCCC=O TetradecanUHUFTBAL 20.5 InChI=1/C1124-25-4 29031

NC(=O)CCCCCCCCCCCCCCCC OctadecanLYRFLYHA 109 InChI=1/C1124-26-5 29032CRC BrC(Br)Cl DIBROMOCGATVIKZL -20 InChI=1/CH124-48-1 29036

FC(F)(F)C(Br)F 2-Bromo-1,RZXZIZDRF -80 InChI=1/C2124-72-1 29040CRC (2005) BrC(F)(F)C(Br)(F)F 1,2-DIBR KVBKAPAN -110.4 InChI=1/C2124-73-2 29041

CC(C)c1cc(c(C)cc1O)C3(OC(=OThymolphthLDKDGDIW 253 InChI=1/C2125-20-2 29054OCC(=O)OC3CC(C)(C=C)C(O)CPleuromutiZRZNJUXES 170.5 InChI=1/C2125-65-5 29062

Hawley CC1(C)C(=O)N(Br)C(=O)N1Cl 3-Bromo-1-PQRDTUFVD 163.5 InChI=1/C5126-06-7 29069

Merck Index (2O=[N+]([O-])C(CO)(CO)CO 2-HYDROXYOLQJQHSA 214 InChI=1/C4126-11-4 29070O=CC13CC=CCC3C2CC=CCC2R-11 XNYGOEGA -80 InChI=1/C1126-15-8 29074

Merck Index (2O=S1(=O)CCCC1 TETRAHYDRHXJUTPCZV 27.6 InChI=1/C4126-33-0 29080OCC(COCC(CO)(CO)CO)(CO)CDipentaerytTXBCBTDQI 221 InChI=1/C1126-58-9 29085BrCC(Br)COP(=O)(OCC(Br)CBrTRIS(2,3- PQYJRMFW 5.5 InChI=1/C9126-72-7 29089CCCCOP(=O)(OCCCC)OCCCC TRIBUTYLPSTCOOQWB -79 InChI=1/C1126-73-8 29090O=C(N)C1(CC)OC1CCC OxanamideWBLPIVIX 90 InChI=1/C8126-93-2 29098C=C(C)C#N METHACRYLGYCMBHHD -35.8 InChI=1/C4126-98-7 29101C=C(Cl)C=C CHLOROPRYACLQRRM -130 InChI=1/C4126-99-8 29102CN(C)C(C)=O N,N'-DIMEFXHOOIRP -20 InChI=1/C4127-19-5 29107O=S(=O)(c1ccccc1)c2ccccc2 DIPHENYL KZTYYGOK 128.5 InChI=1/C1127-63-9 29117Nc1ccc(cc1)S(=O)(=O)Nc2cccN1-PHENYLYBUXKQSC 200 InChI=1/C1127-77-5 29121O=C1CCC(=O)N1Cl 1-CHLORO-JRNVZBWK 150 InChI=1/C4128-09-6 29129CC(C)(C)c1cccc(c1O)C(C)(C)C 2,6-DI-T- DKCPKDPY 39 InChI=1/C1128-39-2 29135O=C2c1ccccc1c4ccc6c3c(ccc DIBENZO(BZTWQZJLU 385 InChI=1/C2128-66-5 29142Cc1ccc(cc1)Nc5ccc(Nc2ccc(C Quinizarin TVRGPOFM 218 InChI=1/C2128-80-3 29146O=C2c1ccccc1C(=O)c3c2c(N)DISPERSE VFBMQNRKS 268 InChI=1/C1128-95-0 29150

LIDE, DR ET AL.O=C(O)c1ccc(c2c(ccc(C(=O)O1,4,5,8-NapOLAPPGSP 320 InChI=1/C1128-97-2 29152c1ccc2ccc3cccc4ccc1c2c34 PYRENE BBEAQIRO 151.2 InChI=1/C1129-00-0 29153

LIDE, DR ET AL.[O-][N+](=O)c3c(C)ccc2C(=O 2-Methyl-1FYXKXZFTZ 270.5 InChI=1/C1129-15-7 29156Clc2cc(ccc2Oc1ccc(Cl)cc1)NC(RafoxanideNEMNPWI 169 InChI=1/C122662-39-1 29191O=C(C)Oc1c(C)c(C)c(cc1C)OCMETIPRANBQIPXWYN 106 InChI=1/C122664-55-7 29193CCc1cccc(c1)C(C)=O 3-ETHYLA ZRYRILAF -20 InChI=1/C122699-70-3 29209CC(C)N2c1cc(C)ccc1C(=NC2=ProquazonJTIGKVIOE 137.5 InChI=1/C122760-18-5 29222CSc1nc(NCC)nc(NC(C)C(C)C)nDIMETHAMIKYICRRUV 65 InChI=1/C122936-75-0 29282O=C(Cn1ccnc1[N+]([O-])=O)N1H-IMIDAZCULUWZNB 189 InChI=1/C122994-85-0 29299FC(F)(F)CN2c1ccc(Cl)cc1C(= 2H-1,4-BE WYCLKVQL 165 InChI=1/C123092-17-3 29343Cc1nc(nc(OC(=O)N(C)C)c1C)NPIRIMICARYFGYUFNI 90.5 InChI=1/C123103-98-2 29348ClCC(=O)N(COCCCC)c1c(cccc BUTACHLOHKPHPIREJ -2.8 InChI=1/C123184-66-9 29376c1ccccc1CC2CCNCC2 Piperidine,ABGXADJD 16.8 InChI=1/C131252-42-3 29432Oc1c(C)cccc1C(=O)OC Benzoic aciSUHLUMKZ 29 InChI=1/C923287-26-5 29521CCN(CC)c1nc(C)cc(OP(=S)(O PIRIMIPHOTZBPRYIIJ 15 InChI=1/C123505-41-1 29635CCCCCC(O)CCCCC 6-UNDECAYBIXBBGR 25 InChI=1/C123708-56-7 29719CCNc1nc(C)c(CCCC)c(O)n1 Ethyrimol BBXXLROW 160 InChI=1/C123947-60-6 29820Clc1cc(cc(Cl)c1)C(=O)NC(C)( PRONAMIDPHNUZKMI 155 InChI=1/C123950-58-5 29822CCOP(=S)(OCC)Oc1ncn(n1)c2TRIAZOPH AMFGTOF 3.5 InChI=1/C124017-47-8 29847CCc1cccc(C)c1N BenzenaminJJVKJJNCI -33 InChI=1/C924549-06-2 30109CC=2OCCCC=2C(=O)Nc1cccccPYRACARBYPCALTGL 110.5 InChI=1/C124691-76-7 30211C=CCC(=O)O 3-ButenoicPVEOYINW -35 InChI=1/C4625-38-7 30349C=C(C)C(=O)CC 1-PENTEN-GHHGVSCQ -69.5 InChI=1/C625044-01-3 30379Cc1cc(no1)C(=O)NCCc2ccc(c Glisoxepid ZKUDBRCE 189 InChI=1/C225046-79-1 30380Cc1cc(Cl)cc(Cl)c1 3,5-DICHL RYMMNSVH 26 InChI=1/C725186-47-4 30422S=P(Oc1ccccc1C(=O)OC(C)C) ISOFENPH HOQADATX -12 InChI=1/C125311-71-1 30459Clc1cc(C)c(OCC(=O)SCC)cc1 MCPA-thioeAZFKQCNG 41.5 InChI=1/C125319-90-8 30463Cc1cc(Cl)ccc1C 3,4-DIMETHNQLMBJU -6 InChI=1/C8615-60-1 30471

CC(C)CCCCCCCO ISODECAN PLLBRTOL 5 InChI=1/C125339-17-7 30480FC(F)(F)c1nnc(s1)N(C)C(=O)NTHIAZAFL BBJPZPLAZ 136.5 InChI=1/C625366-23-8 30487

STAPLES,CA & COCC(C)OCC(C)OC(C)CO Dowanol TGVZNXUAP -77.8 InChI=1/C125498-49-1 30564STAPLES,CA ET O=C(OCCCCCC)c1ccccc1C(= 1,2-BenzeneOMQBXAQA -4 InChI=1/C225724-58-7 30643

ClCCC(Cl)Cl 1,1,3-tric URWHLZCX -59 InChI=1/C320395-25-9 30645Clc1ccc(cc1)C(=O)c3c2ccc(c ClometacinDGMZLCLH 242 InChI=1/C125803-14-9 30657ClC(F)C(Cl)F 1,2-DICHL IDSKMUOS -101.2 InChI=1/C2431-06-1 30713CS(=O)(=O)Oc1cc2c(cc1)OC( ETHOFUMEIRCMYGHH 71 InChI=1/C126225-79-6 30816COc1nc(NCC)nc(NC(C)CC)n1 SECBUMETZJMZZNVG 87 InChI=1/C126259-45-0 30881

Tomlin 2003 CCCN(CC1CC1)c2c(cc(cc2[N+](PROFLURALITVQAKZN 32.3 InChI=1/C126399-36-0 30913CC(=O)OCC(O)CO ACETIN KMZHZAAO -78 InChI=1/C526446-35-5 30918CCCCCCC(C)CCCCCC TRIDECANEBHDKLTKH -37.2 InChI=1/C126730-14-3 30987

CRC HandbookCC(C)CCCCCCCOC(=O)c1cccc DIISODECYZVFDTKUV -50 InChI=1/C226761-40-0 30996CCCC#CC 2-HEXYNE MELUCTCJ -89.6 InChI=1/C6764-35-2 31016FC(F)(F)c1cc(ccc1Cl)C4(O)CC PenfluridolMDLAAYDR 106 InChI=1/C226864-56-2 31017CCCI 1-IODOPR PVWOIHVR -101.3 InChI=1/C3107-08-4 31029Cc1cccc(c1)C(C)(C)C BENZENE, JTIAYWZZ -41.4 InChI=1/C11075-38-3 31082

ALDRICH (2000CC(C)CCCCCCCOC(=O)CCCCCDiisodecyl YKGYQYOQ 27.4 InChI=1/C227178-16-1 31101CCCC(O)CCCCCCCCCC TETRADEC HRDGAIGD 38 InChI=1/C127196-00-5 31104ClC3=C(Cl)C4(Cl)C2C(C1OC1(ClOXYCHLORVWGNQYSI 144 InChI=1/C127304-13-8 31129FC(F)(F)c1cc(ccc1)N2N=CC(NNORFLURANVGOPFQZ 184 InChI=1/C127314-13-2 31131O=C1OCc2c1c(Cl)c(Cl)c(Cl)c2TETRACHL NMWKWBPN 209.5 InChI=1/C827355-22-2 31144CCCc2cccc1ccccc12 1-N-PROP HMAMGXMF -8.6 InChI=1/C12765-18-6 31151Brc1cc(Br)cc(Br)c1C 2,4,6-Trib BFRIZWKD 70 InChI=1/C76320-40-7 31264COCN1C(=O)C(CC)(C(=O)N(COEterobarb DACOQFZG 117 InChI=1/C127511-99-5 31271CC(C)CCCCCOC(=O)c1ccccc1 DIISOOCTYIJFPVINAQ -4 InChI=1/C227554-26-3 31280FC(F)(F)C(F)(F)C(F)(F)I Propane, 1,XTGYEAXB -95 InChI=1/C3754-34-7 31317O=C(OCC4(COC(=O)c1cccnc1)Nicomol VRAHPESA 178.5 InChI=1/C327959-26-8 31410Clc1ccc(CSC(=O)N(CC)CC)cc1THIOBENC QHTQREMO 3.3 InChI=1/C128249-77-6 31512C=Cc1c(Cl)cccc1Cl 2,6-DICHL YJCVRMIJ 89 InChI=1/C828469-92-3 31561Cc1sccc1C THIOPHENEBZYUMXXO -49 InChI=1/C6632-16-6 31595

Merck Index NC(=O)N3c1ccccc1C(=O)Cc2cOxcarbazepCTRLABGOL 215.5 InChI=1/C128721-07-5 31608[O-][N+](=O)c2cc1cc(cc(c1c(c1,3,6,8-T BFMBQYIQ 207 InChI=1/C128995-89-3 31661

Tomlin 2003 CCN(CC)c1c(cc(c(N)c1[N+]([O-DINITRAMIOFDYMSKS 98 InChI=1/C129091-05-2 31718[O-][N+](=O)c1cc(c(N)c([N+] PRODIAMIRSVPPPHX 124 InChI=1/C129091-21-2 31719

SHIU,WY ET AL.CP(=S)(OC)SCC(=O)N(C)C(=O MercarphonPUTUPQVE 36 InChI=1/C729173-31-7 31737OCC2CN(c1cccc(C)c1)C(=O)OToloxatoneMXUNKHLA 76 InChI=1/C129218-27-7 31769CCN(CC)c1nc(C)cc(OP(=S)(OCPIRIMIPHOQHOQHJPR 15 InChI=1/C129232-93-7 31773ClC2CC1CCC2C1 BICYCLO[2 PJWBUKHI -5 InChI=1/C729342-53-8 31785CCCC(O)CCCCCCCCCCCC HEXADECAJIMMILCK 49.5 InChI=1/C129354-98-1 31787Clc1cc2Oc3ccccc3Oc2cc1Cl 2,3-DICHL YCIYTXRU 163 InChI=1/C129446-15-9 31828OC1CCC(Cl)CC1 CYCLOHEXAHVPIAXWC 82.5 InChI=1/C629538-77-0 31848O=C(OCC)Nc1cc2N(c3ccccc3 MORICIZINFUBVWMNB 156.5 InChI=1/C231883-05-3 31872Cc1cccc(Cl)c1Cl Benzene, 1GWLKCPXY 6 InChI=1/C732768-54-0 31931O=C(Oc1ccccc1CSCC)NC ETHIOFEN HEZNVIYQ 33.4 InChI=1/C129973-13-5 31991

O=Cc1cccc(C=O)c1 1,3-DiformIZALUMVG 89.5 InChI=1/C8626-19-7 32002Clc2c1c3ccccc3oc1c(Cl)c(Cl)cDIBENZOFUAETAPIFVE 169 InChI=1/C124478-72-6 32526CC1CCCCC1(C)C CYCLOHEXAMEBONNVP -29 InChI=1/C97094-26-0 32550CC1CC(C)CC(C)C1 CYCLOHEXANODNRTOSC -107.4 InChI=1/C91795-26-2 32551CC1CC(C)CC(C)C1 CYCLOHEXANODNRTOSC -49.7 InChI=1/C91795-27-3 32551CC1CCCC1(C)C CYCLOPENTWINCSBAY -21.6 InChI=1/C84259-00-1 32553CC1CCC(C)C1C CYCLOPENTAVCWNHOPG -116.4 InChI=1/C82613-69-6 32554CC1CCC(C)C1C 1(TRANS), VCWNHOPG -112 InChI=1/C815890-40-1 32554O=C(c1ccc(Cl)cc1)N(CCCC(=OCLANOBUTVUPBWNXF 115.5 InChI=1/C130544-61-7 32563Clc2c1Oc3ccccc3Oc1c(Cl)c(Cl1,2,3,4-T DJHHDLMT 188 InChI=1/C130746-58-8 32611C/C(C)=C\CC2C(=O)N(c1cccccFeprazone RBBWCVQD 156.5 InChI=1/C230748-29-9 32612OCCN(C)c2nc1c(C(=O)N(C)C( Cafaminol ZGNRRVAP 105 InChI=1/C130924-31-3 32824O=C(O)CCCCCCC#C 8-NONYNOINLRIJHGY 19 InChI=1/C930964-01-3 32836O=C1NCCN1C(=O)NCC(C)C IsocarbamiSBYAVOHN 95.5 InChI=1/C830979-48-7 32837Clc1cc(C=O)cc(Cl)c1 BenzaldehyCASRSOJW 65 InChI=1/C710203-08-4 32882Fc1ccc(cc1)C(=O)c2cc3nc(NCFlubendazoCPEUVMUX 260 InChI=1/C131430-15-6 32932O=C(OC)Nc1nc2cc(ccc2n1)C(CyclobendaOXLKOMYH 250.5 InChI=1/C131431-43-3 32933[O-][N+](=O)c2ccc3c1ccc(cc19H-FLUOREHDVGAFBX 293.5 InChI=1/C131551-45-8 32970O=C(O)CCCCCCC=C 8-NONENOIAWQOXJOA 5 InChI=1/C931642-67-8 32985O=C(O)C(C)c1cc(Cl)c(cc1)N2 Pirprofen PIDSZXPF 99 InChI=1/C131793-07-4 33051Clc1ccc(cc1)C(=O)c3cc(OC) Morclofon KVCJCEKJK 91.5 InChI=1/C231848-01-8 33063

US EPA (2004) O=C(C)OC1CCC(CC1)C(C)(C)CCyclohexanoMBZRJSQZ -50 InChI=1/C132210-23-4 33188CCC1Cc2ccccc2CC1 NAPHTHALEJUANVGOD -42.8 InChI=1/C132367-54-7 33214

DEBOER,J ET ALBrc2cc(Oc1ccc(Br)cc1Br)c(Br DE 71 WHPVYXDF -5 InChI=1/C132534-81-9 33255Brc2c(Oc1cc(Br)c(Br)cc1Br)c(Benzene, 1,RTUZOQFR 200 InChI=1/C132536-52-0 33256

Kirk-Othmer OO=C4c1c(Br)c(Br)c(Br)c(Br)c Saytex BT DYIZJUDN 445 InChI=1/C132588-76-4 33278Clc1ccc(cc1Cl)c2cc(Cl)ccc2Cl 2,3',4',5-T KENZYIHF 106 InChI=1/C170362-48-0 33280[O-][N+](=O)c1cc2CCNc2cc1 1H-INDOLE,WJQWYAJT 93 InChI=1/C832692-19-6 33305Clc1cc(cc(Cl)c1)N2C(=O)C3( PROCYMIDQXJKBPAV 166 InChI=1/C132809-16-8 33326Clc2cc(Cl)ccc2Oc1ccc([N+]([ CHLOMETHDXXVCXKM 113.5 InChI=1/C132861-85-1 33334Clc2nc(NC1CC1)nc(NC(C)(C) PropanenitrWUZNHSBF 170 InChI=1/C132889-48-8 33358CC(c1ccccc1)n2cncc2C(=O)O 1H-IMIDAZNPUKDXXF 67 InChI=1/C133125-97-2 33418OCCN(CCO)c1ccc(NCCO)c(c1)[HC BLUE NOMIWUTEVJ 95.5 InChI=1/C133229-34-4 33439[O-][N+](=O)c1cc(cc([N+]([O-FLUCHLORAMNFMIVVP 42 InChI=1/C133245-39-5 33448Clc1cc(ccc1SC(Cl)(F)F)NC(=O Fluothiuro YFEUKKUP 113.5 InChI=1/C133439-45-1 33526

Tomlin (2003);[O-][N+](=O)c1cc(cc([N+]([O BUTRALIN SPNQRCTZ 60 InChI=1/C133629-47-9 33600CC1=CC(=O)NS(=O)(=O)O1 Acesulfam YGCFIWIQZ 123.25 InChI=1/C433665-90-6 33607COc1nc(NCC)nc(NC(C)(C)C)n TERBUMETBCQMBFHB 123.5 InChI=1/C133693-04-8 33617Clc1cc(OC)cc(Cl)c1 3,5-DICHL SSNXYMVL 41 InChI=1/C733719-74-3 33621Clc1cc2Oc3ccc(Cl)cc3Oc2cc12,3,7-TRI ZSIZNEVHV 162 InChI=1/C133857-28-2 33643O=C(Nc1ccc(cc1)C(C)C)N(C)CISOPROTU PUIYMUZL 158 InChI=1/C134123-59-6 33695

AcebutololKTUFKADD 142 InChI=1/C134381-68-5 33788Clc1ccccc1CSC(=O)N(CC)CC ORBENCARLLLFASISU 9 InChI=1/C134622-58-7 33829CC(O)C(=O)OCCCCCCCCCCCCPropanoic aWUKXMJCZ 41 InChI=1/C135274-05-6 34041Clc2ccc(NC(=O)NC(=O)c1c(F)DIFLUBEN QQQYTWIF 239 InChI=1/C135367-38-5 34065

CSc1ccc(OP(=S)(OCC)SCCC)ccSULPROFOJXHJNEJVU -15 InChI=1/C135400-43-2 34067OCCCCCCCCCCO 1,10-DecanFOTKYAAJ 74 InChI=1/C1112-47-0 34095Clc2ccc(C(OCC=C)Cn1ccnc1)c(IMAZALIL PZBPKYOVP 52.7 InChI=1/C135554-44-0 34116

Talmage, SS et Cc1c(cc(cc1N)[N+]([O-])=O)[ 2-Amino-4,IEEJAAUSL 174.5 InChI=1/C735572-78-2 34123Clc2cccc1Oc3ccccc3Oc12 1-CHLORODVGGGRWRB 104.5 InChI=1/C139227-53-7 34148O=C(C)Nc1ccc(cc1)C#N ACETAMIDEUFKRTEWF 207 InChI=1/C935704-19-9 34195Clc2cc1Oc3c(Cl)c(Cl)c(Cl)c(Cl 1,2,3,4,6 WCLNVRQZ 264 InChI=1/C135822-46-9 34207Clc2cc1Oc3c(Cl)c(Cl)c(Cl)c(Cl HEPTACHLOWCLNVRQZ 264 InChI=1/C137871-00-4 34207

SAX CC1CCC(NC1)C(C)C3C(OC(C) MULDAMINZVYUDNWA 210.5 InChI=1/C236069-45-1 34280CN(C)C(=O)OC2N=C(c1cc(Cl)cCamazepa PXBVEXGR 173.5 InChI=1/C136104-80-0 34285CN(C)CC(C)O 2-PropanolNCXUNZWL 124 InChI=1/C5108-16-7 34412O=C2CN(C(=O)NC(C)C)C(=O)N2ROVRAL (I ONUFESLQ 136 InChI=1/C136734-19-7 34418NC1CC(C)(C)NC(C)(C)C1 4-PiperidinFTVFPPFZR 17 InChI=1/C936768-62-4 34423CCc1cc(C)nc(C)c1 PYRIDINE, YFCLFEIWF 97 InChI=1/C936917-36-9 34470

ChemFinder OnOc1cc2CN(C)CCc2cc1O IsoquinolinWETXYFNV 255 InChI=1/C163937-92-8 34632O=C(O)C(CC)COCCOc1c(I)cc(IIopronic AcYMFIJXDFA 130 InChI=1/C137723-78-7 34680ClC(Cl)C(=O)N(CC=C)CC=C ACETAMIDEYRMLFORX 5.5 InChI=1/C837764-25-3 34686O=S(=O)(c1ccccc1)c2cc(C)c(NPERFLUIDOWHTBVLXU 143 InChI=1/C137924-13-3 34724OC(=O)c1cc(N)ccc1Cl Benzoic aciGVCFFVPE 188 InChI=1/C789-54-3 34733O=C4OC1(OC=C(C1=O)c2cccccFluorescamZFKJVJIDP 154.5 InChI=1/C138183-12-9 34768CCc1nc(OCC)cc(OP(=S)(OC)OETRIMFOS FGIWFCGD -3.35 InChI=1/C138260-54-7 34830c1ccc3ccccc3c1Cc2ccccc2 NAPHTHALEKTHUKEZO 59.5 InChI=1/C1611-45-0 34905ClCC(=O)N(CC(=O)OCC)c1c(c ANTOR WFKSADNZ 49.5 InChI=1/C138727-55-8 34920Clc1ccc2Oc3ccc(Cl)cc3Oc2c12,8-DICHL WMWJCKBJ 151 InChI=1/C138964-22-6 35013Clc1ccc2Oc3ccc(Cl)cc3Oc2c12,7-DICHL WMWJCKBJ 209 InChI=1/C133857-26-0 35013Clc3cc1c(oc2c1c(Cl)c(Cl)c(Cl) DIBENZOFUWDMKCPIV 233 InChI=1/C167562-39-4 35019Clc1c2oc3c(c2c(Cl)c(Cl)c1Cl)c(OCTACHLORHIROFAG 258 InChI=1/C139001-02-0 35020Brc1ccc2Oc3cc(Br)ccc3Oc2c12,7-DIBRO FPZRQZSG 193 InChI=1/C139073-07-9 35032Clc1cc2Oc3c(Cl)c(Cl)c(Cl)c(C 1,2,3,4,7 WCYYQNSQ 273 InChI=1/C139227-28-6 35060Clc1ccc2Oc3ccccc3Oc2c1 2-CHLORODGIUGGRUE 88 InChI=1/C139227-54-8 35061Clc1cc(Cl)c(Cl)c2Oc3ccccc3O 1,2,4-TRI HRVUKLBF 128 InChI=1/C139227-58-2 35062Clc1ccc2Oc3c(Cl)c(Cl)c(Cl)c( 1,2,3,4,7 WRNGAZFE 195 InChI=1/C139227-61-7 35063Clc2cc(Cl)c(Cl)c1Oc3c(Cl)cc(C1,2,4,6,7 BSJDQMWA 238 InChI=1/C139227-62-8 35064O=C(OC)C2C1C=CC(C1)C2C(=DIMALONEVGQLNJWO 38 InChI=1/C139589-98-5 35099

ALDRICH (2003Nc1ccc(OCCCCCC)cc1 4-HexyloxyDJRKHTCU 44 InChI=1/C139905-57-2 35159ClC(OP(=O)(OC(Cl)CCCl)OC(ClTRIS(1,3- DHNUXDYA 26.7 InChI=1/C940120-74-9 35184O=C(c1ccc(OCC(=O)O)c(Cl)c1CTicrynafenAGHANLSB 149 InChI=1/C140180-04-9 35204Clc1cc2Oc3cc(Cl)c(Cl)c(Cl)c3 1,2,3,7,8 FSPZPQQW 240 InChI=1/C140321-76-4 35228

Merck Index (2[O-][N+](=O)c1c(C)c(C)cc([N PENDIMETCHIFOSRW 56.5 InChI=1/C140487-42-1 35265Clc2cc(Cl)ccc2Oc1ccc(OC(C)CDICLOFOP OOLBCHYX 120 InChI=1/C140843-25-2 35447Cc1cc(ccc1OC)C(=O)c2cccc(C4-Methoxy-BWPYBAJT 62.3 InChI=1/C141295-28-7 35550O=C1C(=NN=C(C)N1N)c2ccccMetamitroVHCNQEUW 166.9 InChI=1/C141394-05-2 35563CCNc1nc(C)c(CCCC)c(OS(=O)(BUPIRIMATDSKJPMWI 50.5 InChI=1/C141483-43-6 35588O=C(Nc1c(C)cccc1C)C(C)N PROPANAMIBUJAGSGY 256 InChI=1/C141708-72-9 35632Cc1cccc2sc3nncn3c12 TRICYCLAZDQJCHOQL 187 InChI=1/C941814-78-2 35726

O=C(NCCc1ccc(OC(C)(C)C(=O)Bezafibrat IIBYAHWJQ 186 InChI=1/C141859-67-0 35728Clc1cc(c(cc1)C(=O)OC)[N+]([ METHYL 4-JWOSXVMU 44 InChI=1/C842087-80-9 35805C=C\C=C\CC 1,3-HEXADAHAREKHA -102.4 InChI=1/C620237-34-7 35840

ALDRICH (2003O=[N+]([O-])c1ccc(O)cc1C=OBenzaldehyXLYPHUGU 167 InChI=1/C742454-06-8 35874Clc2cc(Cl)ccc2Oc1cc(C(=O)OCBIFENOX SUSRORUB 85 InChI=1/C142576-02-3 35891O=C(Nc1ccc(C)cc1)NC(C)(C)c Daimuron NNYRZQHK 203 InChI=1/C142609-52-9 35899Clc2cc(ccc2Oc1ccc(cc1)[N+]([NITROFLU ZGGSVBWJ 68 InChI=1/C142874-01-1 35973Clc2cc(ccc2Oc1ccc([N+]([O-])OXYFLUOROQMBBFQZ 84 InChI=1/C142874-03-3 35974

Tomlin (2003) CC(C)(C)C(=O)C(Oc1ccc(Cl)cc TRIADIME WURBVZBT 82.3 InChI=1/C143121-43-3 36029O=S(=O)(Nc1cc(ccc1C)NC(C)=FluoridamiCUYDUAXY 176 InChI=1/C147000-92-0 36084O=C(O)c3nn(Cc1ccc(Cl)cc1Cl)Lonidamin WDRYRZXS 207 InChI=1/C150264-69-2 36170CC4=C(CN1CCOC(C1C)c2cccccMorazone OOGNFQMT 149.5 InChI=1/C26536-18-1 36216Clc1c(OC)c(Cl)ccc1Cl 2,3,6-TRI OTFNCXLU 45 InChI=1/C750375-10-5 36263

CRC O=C1N(C(=O)OC1(C)C=C)c2cc(VINCLOZOLFSCWZHGZ 108 InChI=1/C150471-44-8 36278CC(C)OC(=O)C(/C(=O)OC(C)C IPT (ISOP UFHLMYOG 54 InChI=1/C150512-35-1 36283ClCC(=O)N(CCOC)c1c(C)cccc1DimethachlSCCDDNKJ 46 InChI=1/C150563-36-5 36319Brc1cc2Oc3ccccc3Oc2cc1Br 2,3-DIBRO OBHJJRTX 158 InChI=1/C150585-37-0 36322Brc1cc2Oc3cc(Cl)c(Cl)cc3Oc22,3-DIBRO SBSJXPIU 316 InChI=1/C150585-40-5 36325Brc1cc2Oc3cc(Br)c(Br)cc3Oc 2,3,7,8-T JZLQUWSW 334 InChI=1/C150585-41-6 36326Clc1cc2Oc3cc(F)c(F)cc3Oc2cc2,3-DICHL FPZFKQATI 223 InChI=1/C150585-42-7 36327Brc1cc2Oc3cc(F)c(F)cc3Oc2c2,3-DIBRO OYZFZUIM 210 InChI=1/C150585-43-8 36328Clc1cc2Oc3cc(Cl)cc(Cl)c3Oc21,3,7,8-T VPTDIAYL 194 InChI=1/C150585-46-1 36329Clc2cccc1cc3ccccc3cc12 1-Chloro-aSRIHSAFS 83.5 InChI=1/C14985-70-0 36337O=C(CCCCCCCC)OCCCC BUTYL NO DOLFPCDD -38 InChI=1/C150623-57-9 36339O=C1C=C/C(=N\C(C)=O)C=C1Acetimido URNSECGX 74.5 InChI=1/C850700-49-7 36356

K-O v5:800 (19CCOP(C)(=O)SCCN(C(C)C)C(C)VX JJIUCEJQJ -51 InChI=1/C150782-69-9 36386Clc1cc2c3cc(Cl)c(Cl)cc3oc2cc2,3,7,8-T KSMVNVHU 227 InChI=1/C151207-31-9 36507CN(C)C2=NC(=O)N(C1CCCCC1HEXAZINO CAWXEEYD 116 InChI=1/C151235-04-2 36542FC(F)(F)C1(F)C(F)(F)C(F)(F)C(FNaphthalenLWRNQOBX -70 InChI=1/C1306-92-3 36551Clc2cc(Cl)ccc2Oc1ccc(OC(C) DICLOFOP-BACHBFVB 40 InChI=1/C151338-27-3 36557CC3=C[C@H]4O[C@@H]2[C@Vomitoxin LINOMUAS 152 InChI=1/C151481-10-8 36584CNC(=O)Oc1ccccc1OC(OC)CCCloethocarPITWUHDD 80 InChI=1/C151487-69-5 36591CCc1ccc2cc3ccccc3cc2c1 2-ETHYLA ZXAGXLDE 152 InChI=1/C152251-71-5 36820Cl/C(Cl)=C/C3C(C(=O)OCc2ccPERMETHRRLLPVAHG 34 InChI=1/C252645-53-1 36845

WELLS,D ET AL.Cl/C(Cl)=C/C3C(C(=O)OCc2ccCyclopropanRLLPVAHG 45.5 InChI=1/C252341-32-9 36845WELLS,D ET AL.Cl/C(Cl)=C/C3C(C(=O)OCc2ccCyclopropanRLLPVAHG 64 InChI=1/C252341-33-0 36845

Clc1ccc2c(c1)C(=NCC(=O)N2CPinazepamMFZOSKPP 141 InChI=1/C152463-83-9 36899Oc2ccc(C(=O)c1cc(O)c(O)c(OExifone XEDWWPGW 270 InChI=1/C152479-85-3 36906O=C(Nc1ccccc1)C(C)Oc2ccc3Naproanili LVKTWOXH 128 InChI=1/C152570-16-8 36918Clc1cc(Cl)c(Cl)c(Cl)c1c2cc(Cl)2,2',3,4,4' KQBFUDNJ 83 InChI=1/C152663-69-1 36981Fc1ccc(cc1Cl)N(C(=O)c2cccccFlamprop-MIKVXBIIHQ 73 InChI=1/C163782-90-1 37022Fc1ccc(cc1Cl)N(C(=O)c2cccccFlamprop-MIKVXBIIHQ 84 InChI=1/C157973-67-8 37022Fc1ccc(cc1Cl)N(C(=O)c2cccc Flamprop- RBNIGDFIU 85 InChI=1/C163729-98-6 37023Fc1ccc(cc1Cl)N(C(=O)c2cccc FLAMPROPRBNIGDFIU 85 InChI=1/C152756-25-9 37023

ALDRICH (2003O=C(O)C1(C)CCc2c(O1)c(C)c(Trolox C GLEVLJDD 189 InChI=1/C153188-07-1 37117

CCCCCCCCCCCCCN 1-TridecanABVVEAHY 27.4 InChI=1/C12869-34-3 37235Clc1c(OC)c(Cl)c(Cl)cc1Cl BENZENE, WMMFIDNW 88.5 InChI=1/C76936-40-9 37243Clc1cc(OCC(=O)OC(C)CC)c(Cl)(2,4,5-Tric KOCPUBZA 39 InChI=1/C161792-07-2 37250O=C(OCCCC)C3(O)c1ccccc1c2Flurenol-buPSGPXWYG 71 InChI=1/C1 9/2/2314 37279

CRC (2007) [O-][N+](=O)OCCO[N+](=O)[OETHYLENE UQXKXGWG -22.3 InChI=1/C2628-96-6 37281O=S(=O)(Nc1cc(NC(C)=O)c(C)cMEFLUIDIDOKIBNKKY 184 InChI=1/C153780-34-0 37346CN1CCN(CC1)C(=O)OC3C=2SCSuriclone RMXOUBDD 280 InChI=1/C253813-83-5 37353Clc1ccc(OC)c(Cl)c1Cl 1,2,3-TRI FRQUNVLM 69.5 InChI=1/C754135-80-7 37440BrC(Br)(CBr)CBr 1,2,2,3-T SNLFZAHV 10.5 InChI=1/C354268-02-9 37466CC(CC)CCC(C)O 2-HEPTANOFYMBAYNK -61 InChI=1/C854630-50-1 37555Cc1cc(cc(C)c1N)c2cc(C)c(N)c(TETRAMETHUAIUNKRW 198 InChI=1/C134314-06-2 37605

Ullmann's On-lO=C1CCCCCCCCCCC(=O)OCC1,4-DioxacGJJSUPSPZ 18 InChI=1/C154982-83-1 37664CC(C)(C)C(O)C(Oc1ccc(Cl)cc1TriadimenoBAZVSMNP 133.5 InChI=1/C182200-72-4 37749CC(C)(C)C(O)C(Oc1ccc(Cl)cc1TriadimenoBAZVSMNP 138.2 InChI=1/C189482-17-7 37749

Tomlin (2003) CC(C)(C)C(O)C(Oc1ccc(Cl)cc1TRIADIME BAZVSMNP 135.5 InChI=1/C155219-65-3 37749Tomlin [O-][N+](=O)c1cc(cc([N+]([O-ETHALFLURPTFJIKYU 55.5 InChI=1/C155283-68-6 37761

O=S1(=O)CCS(=O)(=O)C(C)=CDIMETHIPIPHVNLLCA 165 InChI=1/C655290-64-7 37765Clc1cc(Cl)c(Cl)nc1OCC(=O)O TRICLOPYRREEQLXCG 149 InChI=1/C755335-06-3 37801O=C(SCCCCCCCC)Oc2cc(Cl)nnPyridate JTZCTMAV 27 InChI=1/C155512-33-9 37831CC(C)Oc1cccc(c1)NC(=O)c2ccMEPRONILBCTQJXQXJ 92.5 InChI=1/C155814-41-0 37994CCC(C(=O)O)c1ccc(cc1)CC(C) Butibufen UULSXYSS 52 InChI=1/C155837-18-8 38005O=C(Nc1cc(on1)C(C)(C)C)N(CISOURON JLLJHQLUZ 119.5 InChI=1/C155861-78-4 38009CCC(=O)N(c1ccccc1)C2(COC)SUFENTANIGGCSSNBK 97 InChI=1/C256030-54-7 38043

JANSSEN PHARCCC(=O)N(c1ccccc1)C2(COC)Sufentanil GGCSSNBK 136.5 InChI=1/C260561-17-3 38043LIDE, DR ET ALO=[N+]([O-])c1cc(ccc1Cl)C(= BenzophenoYBDBYPQF 105 InChI=1/C156107-02-9 38087ALDRICH (2003Clc1cc(cc(Cl)c1N)C(=O)O Benzoic aciUHXYYTSW 291.5 InChI=1/C756961-25-2 38359

Clc1cccc(Br)c1Cl 1-BROMO-2HVKCZUVM 60 InChI=1/C656961-77-4 38364Clc1cc3c(cc1Cl)oc2c3cc(Cl)c(C2,3,4,7,8 OGBQILNB 196 InChI=1/C157117-31-4 38417Clc1cc3c(cc1Cl)oc2c3cc(Cl)ccDIBENZOFUSPMZHWVR 202 InChI=1/C157117-37-0 38423Clc3cc2c(oc1c2ccc(Cl)c1Cl)c( DIBENZOFUNSDXKMRV 164 InChI=1/C157117-38-1 38424Clc1cc3c(cc1Cl)oc2c3ccc(Cl)cDIBENZOFUMJCNKMDT 195 InChI=1/C157117-39-2 38425Clc1cc2oc3cc(Cl)c(Cl)c(Cl)c3cDIBENZOFUSBMIVUVR 225 InChI=1/C157117-41-6 38427Clc2cc3oc1c(ccc(Cl)c1Cl)c3c(CDIBENZOFUNZUPQBVD 206 InChI=1/C157117-42-7 38428CC(O)CCCCCCCCCCCCCCC 2-HEPTAD ZNYQHFLB 54 InChI=1/C116813-18-6 38542O=C(N(C(C)C(=O)OC)c1c(C)ccFURALAXYLCIEXPHRYO 70 InChI=1/C157646-30-7 38763Clc2cc1Oc3c(Oc1c(Cl)c2Cl)cc(1,2,3,6,7 YCLUIPQD 285 InChI=1/C157653-85-7 38799Clc3cc(NC(=O)c1cc(I)cc(I)c1OClosantel JMPFSEBW 217.8 InChI=1/C257808-65-8 38827CC(N(C(=O)COC)c1c(C)cccc1 Metalaxyl ZQEIXNIJL -38.7 InChI=1/C170630-17-0 38839CC(N(C(=O)COC)c1c(C)cccc1 METALAXYZQEIXNIJL 71 InChI=1/C157837-19-1 38839[O-][N+](=O)c3ccc2C(=O)c1c 1,2-DINIT NMNSBFYY 341 InChI=1/C157875-61-3 38849Clc2cc1Oc3c(Cl)c(Cl)c(Cl)c(Cl HEXACHLORIMALTUQZ 250 InChI=1/C134465-46-8 38919

ALDRICH (2003N#Cc1ccc(N)c2ccccc12 1-NaphthalLUSIZUFV 175.5 InChI=1/C158728-64-6 39064Clc1cc2Oc3c(Cl)cc(Cl)c(Cl)c3 1,2,4,7,8 QUPLGUUIS 206 InChI=1/C158802-08-7 39071Clc1cc2c(cc1Cl)oc3c2c(Cl)c(Cl1,2,4,7,8 GCFDWHIK 237 InChI=1/C158802-15-6 39074Clc1cc2oc3ccc(Cl)c(Cl)c3c2ccDIBENZOFUJODWPAQN 210 InChI=1/C158802-20-3 39079

O=C2OCCC2N(C(=O)CCl)c1c(COfurace OWDLFBLN 145.5 InChI=1/C158810-48-3 39084CC(C)N1CCC(CC1)N(c2ccc(Cl)LORCAINIDXHOJAWVA 263 InChI=1/C259729-31-6 39116Brc2cc(c1cc(Br)c(Br)cc1Br)c( HEXABROMHMBBJSKX 72 InChI=1/C136355-01-8 39145O=C(Nc1c(C)cccc1C)CN(CC(= Lidofenin DJQJFMSH 202 InChI=1/C159160-29-1 39159

CRC Handbook O=C1CCCCCN1CCCCCCCCCCCLaurocapr AXTGDCSM -7 InChI=1/C159227-89-3 39176C=CCN3CCCC3CNC(=O)c1cc21H-BENZOTKSEYRUGY 139 InChI=1/C159338-93-1 39202

Tomlin,C (2003CN1C=C(C(=O)C(=C1)c2cc(ccc2FLURIDON YWBVHLJP 154.5 InChI=1/C159756-60-4 39255OC(c1ccccc1Cl)(c2cncnc2)c3cFENARIMONHOWDZOI 118 InChI=1/C160168-88-9 39394Nc1cc(c(cc1S(=O)(N)=O)S(N)(Clorsulon QOVTVIYT 203 InChI=1/C860200-06-8 39399Clc1cc(CO)cc(Cl)c1 BENZENEMEVSNNLLQK 80.5 InChI=1/C760211-57-6 39404Cc2cc(C(=O)N(OC)C1CCCCC1)Furmecycl QTDRLOKFL 33 InChI=1/C160568-05-0 39512

RORDORF,B.F. Clc3cc2c(oc1c2cc(Cl)c(Cl)c1ClDibenzofuraXTAHLACQ 239.5 InChI=1/C160851-34-5 39644N#CC(CCCC)(Cn1ccnc1)c2cccFENAPANILOQOULEWD 161 InChI=1/C161019-78-1 39671

Tomlin, CDS (1O=[N+]([O-])c1cc(cc(c1)C(=ONitrothal-i VJAWBEFM 65 InChI=1/C110552-74-6 39827US EPA (1974AClc1c(COC(=O)NC)cccc1Cl BenzenemethSESJCOBC 52 InChI=1/C962046-37-1 39949

NCc2ccccc2Sc1ccccc1CO BENZENEMEHLAFSNJR 97 InChI=1/C179467-22-4 40019Clc2cc1Oc3cc(Cl)cc(Cl)c3Oc1c1,3,6,8-T JMGYHLJV 219 InChI=1/C133423-92-6 40110

CRC HandbookClc2cc(ccc2Oc1cc(C(=O)O)c(ccACIFLUORFNUFNQYOE 150 InChI=1/C150594-66-6 40113Clc3cccc2c3oc1c2cc(Cl)c(Cl)cDIBENZOFUJNVHSHPA 190 InChI=1/C183704-30-7 40136CN(C)C(=O)SCCCCOc1ccccc1 FENOTHIOHMIBKHHN 40.5 InChI=1/C162850-32-2 40198Cc1cc(ccc1N)c2ccccc2 2-Methyl-4WAFBISYQ 43 InChI=1/C163019-98-7 40311CN(c1c(Br)cc(Br)cc1Br)c2c(ccBROMETHAUSMZPYXT 150.5 InChI=1/C163333-35-7 40463

LIDE, DR ET ALCc1ccc(cc1)OCCN(CCOc2ccc(CEthylamineWGCKSPVU 154.7 InChI=1/C263917-86-2 41247COc1cc2C(C)NCCc2cc1O Salsoline YTPRLBGP 221.5 InChI=1/C189-31-6 42492

Lide, DR ET AL CC(=C)COC(=O)OCC(C)=C 2-Propen-1-SKCUYCAP 201.3 InChI=1/C964057-79-0 42871CRC Handbook O=C(CCCN(C)N=O)c1cccnc1 NNK (carci FLAQQSHRL 63 InChI=1/C164091-91-4 43038

CC3(C)C(C(=O)OC(C#N)c2ccccFENPROPAXQUXKZZN 47 InChI=1/C239515-41-8 43074CC3(C)C(C(=O)OC(C#N)c2ccccFenpropathXQUXKZZN 47 InChI=1/C264257-84-7 43074Clc2cc1oc3cc(Cl)cc(Cl)c3c1c( DIBENZOFUIEMJMCVY 207 InChI=1/C164560-17-4 43168O=C(NC(=O)Nc1ccc(OC(F)(F)FTriflumuroXAIPTRIXG 195 InChI=1/C164628-44-0 43172Cc2nc(NC(=O)NS(=O)(=O)c1ccCHLORSULVJYIFXVZL 176 InChI=1/C164902-72-3 43209O=C(NCCO[N+]([O-])=O)c1ccNicorandil LBHIOVVI 92.5 InChI=1/C865141-46-0 43240

Tomlin (2003) Nc2nc(N)nc(NC1CC1)n2 CyromazinLVQDKIWD 224.9 InChI=1/C666215-27-8 43550CC(C)Oc1cccc(c1)NC(=O)c2cccFlutolanil PTCGDEVV 104.5 InChI=1/C166332-96-5 43579O=C(OCC)C(C)Oc1ccc(cc1)Oc2FenoxapropPQKBPHSE 84 InChI=1/C166441-23-4 43609O=C(OCC)C(C)Oc1ccc(cc1)Oc2FenoxapropPQKBPHSE 90 InChI=1/C171283-80-2 43609O=C(OCC)C(C)Oc1ccc(cc1)Oc2FENOXAPRPQKBPHSE 84.5 InChI=1/C182110-72-3 43609Clc1cc2Oc3cc(Cl)c(Cl)c(Cl)c3 1,2,3,7-T SKGXYFVQ 172 InChI=1/C167028-18-6 44468Clc2cccc1Oc3c(Cl)c(Cl)c(Cl)c PENTACHLOLNWDBNKK 220 InChI=1/C136088-22-9 44469O=C(CCl)N(Cn1cccn1)c2c(C)cMetazachloSTEPQTYSZ 85 InChI=1/C167129-08-2 44885Clc3cc2c(oc1c2cc(Cl)c(Cl)c1ClDIBENZOFUMKRFORPS 219 InChI=1/C167481-22-5 45248Clc1cc2c(cc1)oc3c2c(Cl)c(Cl)cDIBENZOFUZCTNDJSCL 178 InChI=1/C167517-48-0 45283CCCCS(=O)(=O)O ButanesulfQDHFHIQK -15.2 InChI=1/C42386-47-2 45294O=S(=O)(O)CCCCCC HexanesulfFYAQQULB 16.1 InChI=1/C613595-73-8 45296Clc1nc(NCC(=O)OCC)nc(NC(CProglinazinQQADVTST 110 InChI=1/C168228-18-2 45451

CC=1C=C(CC(C)CC(C)(C)C)N( Piroctone OIQJEQLSY 108 InChI=1/C150650-76-5 45575Tomlin (2003);CC(C)(C)/N=C2\SCN(c1ccccc1BuprofezinPRLVTUNW 105 InChI=1/C169327-76-0 45678CRC (2008) O=C(O)COc1nc(F)c(Cl)c(N)c1CFluroxypyrMEFQWPUM 232 InChI=1/C769377-81-7 45757

[O-][N+](=O)c1ccc(cc1)/N=N DIS. A. 6 MVKMKUHS 118 InChI=1/C169472-19-1 45848O=C3OCCC3N(C(=O)C1CC1)c2cCyprofura KRZUZYJE 95 InChI=1/C169581-33-5 45860O=C(O)C(C)Oc1ccc(cc1)Oc2nccHALOXYFOGOCUAJYO 107.5 InChI=1/C169806-34-4 46140O=C(OC)C(C)Oc1ccc(cc1)Oc2ncHALOXYFOMFSWTRQU 56 InChI=1/C169806-40-2 46141O=C(OCCCC)C(C)Oc1ccc(cc1)OFluazifop-PVAIZTNZG 5 InChI=1/C179241-46-6 46142O=C(OCCCC)C(C)Oc1ccc(cc1)OFLUAZIFOP VAIZTNZG 13 InChI=1/C169806-50-4 46142COc1ccc(cc1)C(=O)CC(=O)c2ccButyl Met XNEFYCZV 83.5 InChI=1/C270356-09-1 46261Clc1ccc2c(c1)oc3c2c(Cl)cc(Cl DIBENZOFUUMKCVDZT 190 InChI=1/C170648-16-7 46326Clc1ccc2oc3c(c2c1Cl)c(Cl)cc(CDIBENZOFUQQRRQEVO 210 InChI=1/C170872-82-1 46391CCC(=O)N(c1ccccc1)C2(COC ALFENTANIIDBPHNDTY 140.8 InChI=1/C271195-58-9 46451CC(N(C(=O)Cc1ccccc1)c2c(C) BENALAXYLCJPQIRJHI 79 InChI=1/C271626-11-4 46525Clc2cc3oc1c(cc(Cl)cc1Cl)c3c( DIBENZOFUBDXKVABZ 177 InChI=1/C171998-72-6 46613Clc2cc(ccc2Oc1cc(C(=O)NS(C)FOMESAFEBGZZWXTV 220 InChI=1/C172178-02-0 46694CC1(OC(=O)N(C1=O)c2cc(Cl)cChlozolina IGUYEXXA 112.6 InChI=1/C184332-86-5 46710

MERCK INDEX CC1(OC(=CC1=O)C(=O)O)c2ccAcifran [U DFDGRKNO 176 InChI=1/C172420-38-3 46712Oc1cc2c(cc1)nccc2C(O)C4C Cupreine VJFMSYZS 202 InChI=1/C1524-63-0 46715O=C(OCC)NCCOc1ccc(cc1)OcFENOXYCAHJUFTIJOI 53 InChI=1/C179127-80-3 46739

Tomlin (2003);O=C(OCC)NCCOc1ccc(cc1)OcFENOXYCAHJUFTIJOI 53.5 InChI=1/C172490-01-8 46739CC(=O)Nc1ccc2c3ccc(cc3Cc2cACETAMIDESKWHFLFJZ 262.5 InChI=1/C172570-99-1 46753CC1CCCCS1 2H-THIOPYVLBGYQIS -58 InChI=1/C65161-16-0 46843CCC(CC)CCCC HEPTANE, PSVQKOKK -114.9 InChI=1/C915869-80-4 46880O=C2C=CC1C(C)CC3OC(=O)C(HELENALINZVLOPMNV 167.5 InChI=1/C16754-13-8 47175NC(=O)C3(CCCNC(C)C)c1cccc9H-FLUOREUCEWGESN 94.5 InChI=1/C274517-78-5 47194

CRC O=C(Nc1nc(C)cc(C)n1)NS(=O SULFOMETZDXMLEQE 202 InChI=1/C174222-97-2 47881Tomlin (2003) Cc2nc(NC(=O)NS(=O)(=O)c1cMETSULFURSMUVYRM 162 InChI=1/C174223-64-6 47883

Clc1c(cc(Cl)c(Cl)c1Cl)c2ccc(Cl2,3,4,4',5- SXZSFWHO 98 InChI=1/C174472-37-0 47913CC(C)(C)C(Br)C(=O)NC(C)(C)c BROMOBUTWZDDLAZX 180.1 InChI=1/C174712-19-9 47944Clc1ccc3c(c1)oc2c3cccc2Cl 2,8-DICHL DMOBGFAK 184 InChI=1/C15409-83-6 48004CN1CCNCC1 Piperazine,PVOAHING -6 InChI=1/C5109-01-3 48024Nc1nc(ccc1NC(=O)OCC)NCc2cFlupirtine JUUFBMOD 115.5 InChI=1/C156995-20-1 48119OC(C(Cc1ccc(Cl)cc1Cl)n2cncnDICLOBUTRURDNHJIV 148 InChI=1/C175736-33-3 48148Clc1c(c(c(Cl)c(Cl)c1Cl)C(=O) Tecloftala ROZUQUDE 198.5 InChI=1/C176280-91-6 48292O=C(OCC)C(C)Oc1ccc(cc1)Oc2QUIZALOFOOSUHJPCH 76.5 InChI=1/C1100646-51-3 48336O=C(OCC)C(C)Oc1ccc(cc1)Oc2QUIZALOFOOSUHJPCH 92 InChI=1/C176578-14-8 48336Clc2cc(ccc2Oc1cc(C(=O)OCC(=FLUOROGLIPPAUTOB 65 InChI=1/C177501-90-7 48457CC(C)(C)NCC(O)COc1ccccc1OCETAMOLOUWCBNAVP 96.5 InChI=1/C134919-98-7 48483O=C2OCCN2N(C(=O)COC)c1c(Oxadixyl UWVQIROC 104 InChI=1/C177732-09-3 48518Cc1cc(C)c(Br)c(C)c1NC(=O)C BR-N(246- MHPZZZZL 199 InChI=1/C178266-06-5 48922CC1(N=C(NC1=O)c2ncccc2C(=IMAZAPYRCLQMBPJK 171 InChI=1/C181334-34-1 49445CC1(N=C(NC1=O)c2nc3ccccc3Imazaquin CABMTIJIN 221 InChI=1/C181335-37-7 49446

Tomlin CDS (2 CC1(N=C(NC1=O)c2ncc(CC)ccImazethapyXVOKUMIP 171 InChI=1/C181335-77-5 49447CC(CCCCCC)OC(=O)COc1nc(F)cFluroxypyrOLZQTUCT 59 InChI=1/C181406-37-3 49451

CCc2cccc1CCCCc12 NAPHTHALEWHCKFZOM -44.5 InChI=1/C142775-75-7 49459Clc2ccccc2CN1OCC(C)(C)C1=CLOMAZONKIEDNEWS 25 InChI=1/C181777-89-1 49469O=C(Nc1nc(cc(OC)n1)OC)NS(BENSULFURXMQFTWRP 187 InChI=1/C183055-99-6 49630Clc3cccc1c3oc2c1c(Cl)cc(Cl)cDIBENZOFUCBBDONKZE 177 InChI=1/C183704-27-2 49760Clc3cc1c(oc2c1c(Cl)cc(Cl)c2Cl1,3,4,6,8 COKIAYPR 204 InChI=1/C183704-55-6 49787

Tomlin CDS (2 Clc1ccccc1N(CSP(=S)(OC)OC)PhosmethyMVBGKYGT 42 InChI=1/C183733-82-8 49790OC(=O)c2ccccc2c1ccc(cc1)C(F4'-(Trifluo IQOMYCGT 170 InChI=1/C184392-17-6 49895Nc1ncc2ncn(COCCO)c2n1 ETHANOL, OKQHSIGM 189 InChI=1/C884408-37-7 49900Brc2cccc1Oc3c(Oc12)cccc3Br1,6-DIBRO YGASKWLM 207 InChI=1/C191371-14-1 50743CC(=O)Oc2c1cc(Cl)ccc1c(OC(1,4-NAPHTIFWMVQUG 91.5 InChI=1/C191431-42-4 50751O=C(O)C(CC)Oc1ccccc1 2-Phenoxy-TVSPPYGA 98 InChI=1/C113794-14-4 52253Ic1ccc2Oc3ccccc3Oc2c1 2-MONOIOHFNCLKQJ 95 InChI=1/C1101714-96-9 53024O=C(O)CSc1ccccc1 S-PHENYLMMOTOSAGB 65 InChI=1/C8103-04-8 53706[O-][N+](=O)c3cccc4c1ccc([N3,7-DINIT WAAHHGKG 203.5 InChI=1/C1105735-71-5 54140Brc1ccc2Oc3ccc(Br)cc3Oc2c12,8-DIBRO DSECKYFA 145 InChI=1/C1105836-96-2 54149Brc1ccc2Oc3ccccc3Oc2c1 2-MONOBRGSUCEGNA 90 InChI=1/C1105906-36-3 54181Brc2cccc1Oc3ccccc3Oc12 1-MONOBRHEAUGIUD 104 InChI=1/C1105908-71-2 54182Clc4cccc(N3CCN(CCCCOc1cccAripiprazolCEUORZQY 139.25 InChI=1/C2129722-12-9 54790BrC(Br)C(Br)(Br)Br PentabromOGVPXEPS 56.5 InChI=1/C275-95-6 54929OOC(C)(C)c1ccc(cc1)C(C)C p-Diisopro HWCBEGMI 33.5 InChI=1/C198-49-7 54950

Lewis, RJ (2000O=NN(C)c1ccc(cc1)N=O N,4-Dinitr FMGUJLAS 101 InChI=1/C799-80-9 54952NC(=O)NNc1ccccc1 HYDRAZINEAVKHCKXG 172 InChI=1/C7103-03-7 54963C=COCC(CCCC)CC Vinyl 2-ethDSSAWHFZ -100 InChI=1/C1103-44-6 54965

ALDRICH (2000COc1ccc(CCC(C)=O)cc1 2-ButanonePCBSXBYC 8 InChI=1/C1104-20-1 54968ALDRICH (2000O=C=N\c1ccc(cc1)\N=C=O Benzene, 1ALQLPWJF 97.5 InChI=1/C8104-49-4 54970Tomlin (2003) CC1OC(C)OC(C)OC(C)O1 MetaldehydGKKDCARA 246 InChI=1/C8108-62-3 54981

CCCCCCCCOC(=O)CCC Butanoic acPWLNAUNE -55.6 InChI=1/C1110-39-4 54989CCCCC(CO)(CO)CC 1,3-PropaneDSKYSDCYI 43.8 InChI=1/C9115-84-4 54997NCCCN1CCOCC1 4-MorpholUIKUBYKU -15 InChI=1/C7123-00-2 55014Clc2cc(Cl)ccc2C(=O)OOC(=O)cPeroxide, bWRXCBRHB 106 InChI=1/C1133-14-2 55032CCCCCCCCOC(=O)CC Propanoic aCEQGYPPM -42.6 InChI=1/C1142-60-9 55048ClC(Cl)(Cl)C(Cl)F Ethane, 1,1SRCNPEKL -95.3 InChI=1/C2354-11-0 55055ClC(Cl)C(Cl)(Cl)F Ethane, 1,1LUBCGHUO -82.6 InChI=1/C2354-14-3 55056ClC(Cl)(Cl)C(Cl)(Cl)F pentachlorKQKBWZDT 101.3 InChI=1/C2354-56-3 55058

CRC F/C(F)=C(/C(F)(F)F)C(F)(F)F Perfluoroi DAFIBNSJX -130 InChI=1/C4382-21-8 55060ClC(Cl)C(F)(F)C(F)(F)F 3,3-Dichlo COAUHYBS -94 InChI=1/C3422-56-0 55063CN1CCC(CC1)(C(=O)OCC)c2ccHydroxypetWTJBNMUW 110 InChI=1/C1468-56-4 55068CC2(C)C1CC2C(O)C=C1C Bicyclo 3.1WONIGEXYP 24 InChI=1/C11820-09-3 55074CC2(C)C1CC2C(O)C=C1C cis-VerbenWONIGEXYP 65 InChI=1/C118881-04-4 55074

ALDRICH (2000Brc1c(O)c(O)c(Br)c(Br)c1Br PyrocatechOAUWOBSD 191 InChI=1/C6488-47-1 55075O=C(/N=N#N)c1ccccc1 BENZOYL APJHUABJT 32 InChI=1/C7582-61-6 55080O=C(CCCC)OCCCC Pentanoic aOKJADYKTJ -92.8 InChI=1/C9591-68-4 55084C=CCCC(=O)O 4-PentenoiHVAMZGAD -22.5 InChI=1/C5591-80-0 55085CC(C)(Cl)CC BUTANE, 2CRNIHJHM -73.5 InChI=1/C5594-36-5 55090ClC(Cl)(Cl)C(N)=O TRICHLOR UPQQXPKA 142 InChI=1/C2594-65-0 55091

[O-][N+](=O)CN METHYLNI KHXLYFSTS 38 InChI=1/C 598-57-2 55095CCCCN(CCCC)c1ccccc1 BenzenaminFZPXKEPZZ -32.2 InChI=1/C1613-29-6 55101O=C(C)Oc1ccccc1OC O-METHOXBHJHPYFAY 31.5 InChI=1/C9613-70-7 55102O=C(OCC(OC(=O)c1ccccc1)CO1,2,3-PropaHIZCTWCP 76 InChI=1/C2614-33-5 55103OCCN1CCOCC1 4-MorpholiKKFDCBRM -1.6 InChI=1/C6622-40-2 55110O=C(CCCCCCCCCCCCCCCCC) OctadecanoiFPVVYTCTZ 79 InChI=1/C3627-83-8 55120CCOOCC PEROXIDE,RHMZKSWP -70 InChI=1/C4628-37-5 55121O=COCCCCCC Formic acidOUGPMNML -62.6 InChI=1/C7629-33-4 55123BrC(Br)(Br)CBr 1,1,1,2-te RVHSTXJK 0 InChI=1/C2630-16-0 55125O=C(CCCCCCC)OCCCCC Octanoic acGJWGZSBN -34.8 InChI=1/C1638-25-5 55131CCCCC(Cl)=O Pentanoyl XGISHOFU -110 InChI=1/C5638-29-9 55132O=[N+]([O-])Nc1ccccc1 BenzenaminVBEGHXKA 47.3 InChI=1/C6645-55-6 55135

Hawley (2007)O=[N+]([O-])OCCOCCO[N+]([DIETHYLENLYAGTVMJ -11.3 InChI=1/C4693-21-0 55142O=Cc1ccc(C)cc1O 2-Hydroxy-JODRRPJM 60.5 InChI=1/C8698-27-1 55144Nc1nnc(s1)c2oc(cc2)[N+]([O-Triafur SXZZHGJW 280 InChI=1/C6712-68-5 55149FC(F)(F)c1cc(ccc1Cl)[N+]([O- Benzene, 1-HQROXDLW 22 InChI=1/C7777-37-7 55156COCCOC=1C(=O)C(=C(OCCOC2,5-Bis(1-aASWYYIAZ 80 InChI=1/C1800-24-8 55158C=CC#CC=C 1,5-HEXADAUBDSFLQ -88 InChI=1/C6821-08-9 55165C=CC(OC(=O)C)OC(=O)C ALLYLIDENTXECTBGV -37.6 InChI=1/C7869-29-4 55168CCCCCCC(=O)CC 3-NonanonIYTXKIXET -8 InChI=1/C9925-78-0 55177

CRC C[SiH2]Cl METHYLCHYGZSVWMB -135 InChI=1/CH993-00-0 55185O=C(CCCCCCCCCCCCCCCCC) Ammonium JPNZKPRO 22 InChI=1/C11002-89-7 55192Oc1cc(cc(O)c1O)C(=O)OCCC OCTYL GALNRPKURNS 102.5 InChI=1/C11034-01-1 55194BrC(Br)F METHANE,LTUTVFXO -78 InChI=1/CH1868-53-7 55219CCCCCCCCOC(=O)CCCCCCC Octanoic acDJNTZVRU -18.1 InChI=1/C12306-88-9 55233[O-][N+](=O)c1cc2nnnc2cc1 5-NITROBEAOCDQWRM 217 InChI=1/C6 12/7/2338 55240CC(=O)CCCCCCCCCCCCC 2-Pentade CJPNOLIZ 39.5 InChI=1/C12345-28-0 55242Cl[SiH2]Cl DICHLOROSMROCJMGD -122 InChI=1/Cl 4109-96-0 55266ClC(Cl)(Cl)C(F)(F)C(F)(F)F 1,1,1-trich HJRXHKBZ -80 InChI=1/C34259-43-2 55276CCCCCCCOC(=O)CCCCCCC Octanoic acTZXWLJYLY -10.6 InChI=1/C14265-97-8 55278O=C(CCCCCC)OCCCCC Heptanoic aPSQMUBJR -50 InChI=1/C17493-82-5 55341OC(=O)CCOCC(CC)CC 3-(2-Ethyl-ZLPVZWUO 32.5 InChI=1/C974244-64-7 55413Oc1c(cccc1Cl)c2ccccc2 3-CHLORO-(XBILVINOJ 6 InChI=1/C185-97-2 55449CCC(=O)N5c1ccccc1N(C4CCN(BEZITRAMIFLKWNFFC 147 InChI=1/C315301-48-1 55675

Hawley (2001)O=C1N(Cl)C(=O)N(Br)C1(C)C Hydantoin,PIEXCQIO 163.5 InChI=1/C516079-88-2 55703TOMLIN,CDS (1CC1CN(CC(C)O1)C2CCCCCCC DODEMORJMXKCYUT 71 InChI=1/C11593-77-7 55760

N#CCCC(Br)(CBr)C#N PentanedinDHVLDKHFG 52 InChI=1/C635691-65-7 55806Brc1cc(cc(Br)c1OCC=C)C(C)(CTETRABROMPWXTUWQH 119 InChI=1/C225327-89-3 55823O=C(NCCCC)OCC#CI Carbamic acWYVVKGNF 66 InChI=1/C855406-53-6 55933C=C\C=C\C 1,3-PENTADPMJHHCWV -87.4 InChI=1/C52004-70-8 56020Clc2cccc(F)c2CN(CC)c1c(cc(ccFLUMETRAPWNAWOCH 102 InChI=1/C162924-70-3 56023

CRC Handbook Cc2cc1ncccc1c3nc(N)n(C)c232-AMINO-3GMGWMIJI 297 InChI=1/C177094-11-2 56075Tomlin 2003 Clc2cc(ccc2Oc1cc(C(=O)OC(C)LACTOFENCONWAEUR 45 InChI=1/C177501-63-4 56077

ClC(Cl)C(=O)N1c2ccccc2OCC BENOXACOPFJJMJDEV 107.6 InChI=1/C198730-04-2 56101CRC C[Si](C)(OCC)OCC DIMETHYL YYLGKUPA -87 InChI=1/C678-62-6 56117

C#CC(=C)C 1-BUTEN-3BOFLDKIFL -113 InChI=1/C578-80-8 56118CCC(Cl)=O Propanoyl RZWZRACF -94 InChI=1/C379-03-8 56119CC(C)C(Cl)=O Propanoyl cDGMOBVGA -90 InChI=1/C479-30-1 56120O=C(O)C(C)S Propanoic PMNLUUOX 12 InChI=1/C379-42-5 56121

CRC (2007) O=[N+]([O-])c1c(C)c(c(C)c(c1 5-tert-ButyXMWRWTSZ 110 InChI=1/C181-15-2 56123Ullmann On-LiO=C(C)OC1CCCCC1C(C)(C)C 2-t-ButylcyFINOAUDU 34.95 InChI=1/C188-41-5 56126

CCN(CCO)c1ccccc1 ETHANOL, HYVGFUIW 37 InChI=1/C192-50-2 56130Aldrich (1998) CN(C)c1cc2nc3cc(ccc3cc2cc1Acridine, 3DPKHZNPW 165 InChI=1/C1494-38-2 56136

CC1CCc2occ(C)c2C1 Benzofuran,PGERSOCM 86 InChI=1/C1494-90-6 56137Oc1ccc(cc1OC)CO 4-HYDROXZENOXNGF 115 InChI=1/C8498-00-0 56139FC(F)(Cl)C(F)(F)C(Cl)F 1,3-DICHL UJIGKESM -97 InChI=1/C3507-55-1 56144CC(=O)OC5CC2(O)C(CCC1(C) ScillirosideLSMIOFMZ 169 InChI=1/C3507-60-8 56145OCN(CO)c1nc(nc(n1)N(CO)C Methanol, (1YGCOKJWK 137 InChI=1/C9531-18-0 56150Cc1ccc(cc1)C(C)=C Benzene, 1MMSLOZQE -20 InChI=1/C11195-32-0 56173

Tomlin,C (2003n2cnc(NCc1ccccc1)c3ncnc231H-PURIN-NWBJYWHL 234.5 InChI=1/C11214-39-7 56177BrC(F)F Bromodifl GRCDJFHY -145 InChI=1/CH1511-62-2 56193CC(C)(C)/N=C=O Propane, 2MGOLNIXA 85.5 InChI=1/C51609-86-5 56197CC(S)CCC 2-PENTANEQUSTYFNP -169 InChI=1/C52084-19-7 56209O=C(OCC)Cc2cccc1ccccc12 1-NaphthaleXIDPSKQL 88.5 InChI=1/C12122-70-5 56212

LIDE,DR ET AL.CC(C)(C)N(CCO)CCO tert-Butyl XHJGXOOO 42 InChI=1/C82160-93-2 56213O=C(CCCC)OCCCCC Pentanoic aFGPPDYNPZ -78.8 InChI=1/C12173-56-0 56216

Lide, DR ET AL C=Cc1ccc(O)cc1 4-VinylpheFUGYGGDS 73.5 InChI=1/C82628-17-3 56234Oc1ccc(cc1OC)CC Phenol, 4- CHWNEIVB -7 InChI=1/C92785-89-9 56245CCOO ETHYL HYDILHIHKRJJ -100 InChI=1/C 3031-74-1 56252ClC(Cl)(Cl)S(=O)(=O)C(Cl)(Cl)CBis(trichlo YBNLWIZA 37 InChI=1/C23064-70-8 56258Cc1scnc1C THIAZOLE, UWSONZCN 83.5 InChI=1/C53581-91-7 56286Oc2ccc3CC1C(C)C(C)(CCN1C)Metazocin YGSVZRIZ 144 InChI=1/C170-07-5 56292Oc2ccc3CC1C(C)C(C)(CCN1C)Metazocin YGSVZRIZ 233.5 InChI=1/C13734-52-9 56292[O-][N+](=O)c2cc3nc(Cc1ccc(ClonitazenGPZLDQAE 75.5 InChI=1/C23861-76-5 56301CCC(=O)C(=O)CC 3,4-HexaneKVFQMAZO -10 InChI=1/C64437-51-8 56310CCCCCCCCCCCS 1-UNDECACCIDWXHL -3 InChI=1/C15332-52-5 56332CCCCCCCOC(=O)CCC Butanoic acJPQHLIYIQ -57.5 InChI=1/C15870-93-9 56351C\C=C\C 2-BUTENE (IAQRGUVF -139.3 InChI=1/C4107-01-7 56442C\C=C\C TRANS-2-BIAQRGUVF -105.5 InChI=1/C4624-64-6 56442Nc1ccc2c3ccccc3nc2n1 2-Amino-9HFJTNLJLPL 202 InChI=1/C126148-68-5 56541OC1CCN(CC1)CC(C)CN2c4ccccPerimethazWYRWAVVT 137.5 InChI=1/C213093-88-4 56600CC(C)C1CCC(C)CC1C(=O)NCCEthyl Men VUNOFAIH 88 InChI=1/C139711-79-0 56632Clc1cc(Cl)c(Cl)c(Cl)c1c2ccc(Cl2,3,3',4,4' ZQUPQXIN 107 InChI=1/C174472-42-7 56757Clc1cc(Cl)c(Cl)c(Cl)c1c2ccc(Cl2,2',3,4,4' SPOPSCCF 73 InChI=1/C156030-56-9 56765Clc1cc(cc(Cl)c1Cl)c2cc(Cl)ccc 2',3,4,5,5' PIVBPZFQ 105 InChI=1/C170424-70-3 56773Clc2cc(Cl)cc(Cl)c2c1ccc(Cl)cc 2,4,4',6-TeRZFZBHKD 65 InChI=1/C132598-12-2 56792O=C2NC=Nc1ccccc12 QUINAZOLIQMNUDYFK 217.5 InChI=1/C8491-36-1 56797O=C(CN1CCOCC1)N4CN(c2cccMoquizoneVCRQLDNI 136 InChI=1/C219395-58-5 56892OC13CC2CC(CC(C1)C2)C3 1-HYDROXVLLNJDMH 247 InChI=1/C1768-95-6 57726

ALDRICH (2000CC(=O)NC13CC2CC(CC(C1)C2Acetamide, BCVXYGJCD 148.5 InChI=1/C1880-52-4 57727

Augerson (200O=P(C)(F)OC1CCCCC1 CyclohexylSNTRKUOV -30 InChI=1/C7329-99-7 58069CCCCCCCCCCCCCC#N TetradecaneMLRCLPRH 19 InChI=1/C1629-63-0 58227CC12CCC(CC1O)C2(C)C Borneol DTGKSKDO 207 InChI=1/C1464-45-9 58234CC12CCC(CC1O)C2(C)C d-Borneol DTGKSKDO 208 InChI=1/C1464-43-7 58234CC12CCC(CC1O)C2(C)C ISOBORNE DTGKSKDO 213 InChI=1/C1124-76-5 58234CN3C1CCC3CC(C1)OC(=O)C(=ApotropineWPUIZWXO 62 InChI=1/C1500-55-0 58243O=C1CCc2ccccc2N1 2(1H)-QUI TZOYXRME 163.5 InChI=1/C9553-03-7 58328O=C(CC#N)c1ccccc1 BenzeneproZJRCIQAMT 80.5 InChI=1/C9614-16-4 58331O=C(O)C(Cc1ccccc1)Cc2cccccBenzeneproRBLAOGBE 90 InChI=1/C1618-68-8 58332

ALDRICH (2000ClC(=O)CCc1ccccc1 BenzeneproMFEILWXB -2 InChI=1/C9645-45-4 58333COc2nsnc2NS(=O)(=O)c1ccc(SulfametroIZOYMGQQ 149.5 InChI=1/C932909-92-5 58466N=C(N)c1ccc(cc1)Oc2ccc(cc2PhenamidiDMABBVCV 215.5 InChI=1/C1101-62-2 58474O=C(NC)c1cccnc1 N-METHYLZYVXHFWB 103.5 InChI=1/C7114-33-0 58476

ALDRICH (2000C1NCCCNCCNCCCNC1 Cyclam MDAXKAUI 185 InChI=1/C1295-37-4 58489O=C(N)c1ccc(O)cc1 P-HYDROXQXSAKPUB 161.5 InChI=1/C7619-57-8 58563O=C2C(=C2c1ccccc1)c3ccccc DiphencypHCIBTBXNL 119 InChI=1/C1886-38-4 58568c1csc(c1)c2ccc(s2)c3cccs3 2,5-THIOP KXSFECAJU 93.5 InChI=1/C11081-34-1 58578CN(C)c2cccc1c2cccc1S(N)(=O1-DIME AMTYNBFJJKZ 219.5 InChI=1/C11431-39-6 58587

LIDE,DR ET AL.Oc1c3occc3cc2C=CC(=O)Oc1XanthotoxoJWVYQQGE 251.5 InChI=1/C12009-24-7 58600O=C(NC(CCC(=O)O)C(=O)O)c1N-(p-AminoGADGMZDH 173 InChI=1/C14271-30-1 58647Cc1nc3c(cc1)ccc2ccc(C)nc23 1,10-PhenaIYRGXJIJG 159.5 InChI=1/C1484-11-7 58734CC(C)C(C)(C(C)C)C(=O)NC Trimethyl RWAXQWR 60 InChI=1/C151115-67-4 58789Clc2cc(Cl)ccc2Oc1ccccc1CC( FENCLOFE IDKAXRLET 112 InChI=1/C134645-84-6 58860Nc2nc(N)ncc2Cc1cc(OC)c(OC24NH2PYRIWSWJIZXM 154 InChI=1/C153808-87-0 58910

Aldrich (1998) Clc1cc(Cl)nc(N)n1 Py 11 JPZOAVGM 220.5 InChI=1/C456-05-3 58968ALDRICH (2003Brc1cc(cc(Br)c1O)C3(OC(=O)c1(3H)-Isob OBRGVMYQ 278.5 InChI=1/C21301-20-8 59012

Brc1cc(cc(Br)c1O)C3(OC(=O)c3',3",5',5 OBRGVMYQ 296 InChI=1/C276-62-0 59012ClC(=O)C(Cl)=O EthanedioylCTSLXHKW -16 InChI=1/C279-37-8 59021BrC(Br)C(=O)C(Br)(Br)Br 2-PropanonOEQPNRAF 79.5 InChI=1/C379-49-2 59022O=S(=O)(NC(=O)NCO)c2ccc(NSulfaloxic UPCBSVILV 162.5 InChI=1/C114376-16-0 59051O=C3c4ccccc4Oc2c3ccc(OC) MepixanoxPYSOHOOU 159.5 InChI=1/C217854-59-0 59116Brc2ccc(NC(=O)c1c(O)cccc1OResorantelIHYNKGRW 229 InChI=1/C120788-07-2 59124O=P1(OCCCN1CCCl)N(CCCl)CTrofosfamiUMKFEPPT 50.5 InChI=1/C922089-22-1 59129Clc4ccc5Sc1ccccc1N(CCCN2CClospirazinCFOYBMUY 155 InChI=1/C224527-27-3 59138O=S(=O)(NN)c1ccccc1 BENZENESUVJRITMATA 102 InChI=1/C680-17-1 59146O=C2OS(=O)(=O)c1ccccc12 3H-2,1-BenNCYNKWQX 129.5 InChI=1/C781-08-3 59152O=C2c1ccccc1C(=O)c3c2c(N)c1,4-diCL-2 KZYAYVSW 295 InChI=1/C1SRC003-67-3 59154

Aldrich (1998) O=C(Cl)N(c1ccccc1)c2ccccc2 DiphenylcaXNBKKRFA 83 InChI=1/C183-01-2 59164Oc2c(OC)c(cc1CCN(C)C(C)c1 Pellotine NKHMWHLJ 111.5 InChI=1/C183-14-7 59165CCCCCC(=O)Cc3cc(O)cc2Oc1cPhysodic AKVTYWHGI 205 InChI=1/C284-24-2 59174O=C3c5ccccc5N=C2c4nc1cccRutecarpinACVGWSKV 260 InChI=1/C184-26-4 59175Clc2ccc(C)c(Cl)c2Nc1ccccc1 TerofenamFRQSLQPW 73.5 InChI=1/C129098-15-5 59185Clc1ccc(cc1)OC(C)(C)C(=O)O Etofibrate XXRVYAFBU 100 InChI=1/C131637-97-5 59197Clc1ccc(cc1)OC(C)(C)C(=O)O NicofibrateRARQHAFN 48.5 InChI=1/C131980-29-7 59198

Aldrich (2000) O=[N+]([O-])c1ccc(CBr)cc1 4-NitrobenVOLRSQPS 99 InChI=1/C7100-11-8 59402

O=C=N\c1ccc(cc1)[N+]([O-]) Benzene, 1-GFNKTLQT 57 InChI=1/C7100-28-7 59403O=C(O)CNc1ccccc1 N-PHENYLGNPKSPKHJB 127.5 InChI=1/C8103-01-5 59416C/C(C)=N\Nc1ccccc1 2-PropanonJQLKSEQEI 42 InChI=1/C9103-02-6 59417Cc2ccc(SSc1ccc(C)cc1)cc2 Disulfide, TZOVOULU 47.5 InChI=1/C1103-19-5 59418Cc1ccc(CN)cc1 BENZENEMHMTSWYPN 12.5 InChI=1/C8104-84-7 59426C=Cc1ccc(C=C)cc1 Benzene, 1WEERVPDN 31 InChI=1/C1105-06-6 59432O=Cc1ccc(C#N)cc1 BenzonitrilWZWIQYMT 100.5 InChI=1/C8105-07-7 59433OC1CCN(C)CC1 4-PiperidinBAUWRHPM 29 InChI=1/C6106-52-5 59438Sc1ccc(Br)cc1 BenzenethiFTBCOQFM 73 InChI=1/C6106-53-6 59439O=C1CCC(C)N1 2-PYRROLI YVIVRJLWY 43 InChI=1/C5108-27-0 59445CC1CNCCN1 Piperazine,JOMNTHCQ 62 InChI=1/C5109-07-9 59447CC(C)(C)SSC(C)(C)C Disulfide, BKCNDTDW -5 InChI=1/C8110-06-5 59450ClC(=O)CCCCCCCCC(Cl)=O DecanedioyWMPOZLHM -2.5 InChI=1/C1111-19-3 59462C=C(C)\C=C(/C)C 1,3-PENTADCMSUNVGI -114 InChI=1/C71000-86-8 59470O=C(CCCC)c1ccccc1 1-PentanonXKGLSKVN -9.4 InChI=1/C11009-14-9 59482C[Si]1(C)N[Si](C)(C)N[Si](C)( CYCLOTRISIWGGNJZRN -10 InChI=1/C61009-93-4 59483

ALDRICH (2000C[Si]1(C)N[Si](C)(C)N[Si](C)(CCyclotetrasFIADVASZM 97.5 InChI=1/C81020-84-4 59489CRC c1ccccc1[Si](c2ccccc2)(c3ccc SILANE, T JLAVCPKUL 236.5 InChI=1/C21048-08-4 59493Kirk-Othmer C[SiH](C)Cl Silane, chl YGHUUVGI -111 InChI=1/C21066-35-9 59496

CC(O)CN2C(=O)c1n(C)cnc1N(Protheobr MXRGZXBF 141 InChI=1/C150-39-5 59508ALDRICH (2003Clc1c(cc(Cl)cc1Cl)C(=O)O Benzoic aciCGFDSIZR 166.5 InChI=1/C750-73-7 59509Aldrich (1998) O=Cc2ccc(Oc1ccccc1)cc2 BenzaldehyQWLHJVDR 24.5 InChI=1/C167-36-7 59526

ClC(Cl)(Cl)C(C)O 1,1,1-TrichHCMBPASA 50.5 InChI=1/C376-00-6 59540FC(Cl)(F)C(Cl)(F)C(Cl)(F)F Propane, 1,AIDLQDHQ -72 InChI=1/C376-17-5 59542OC(C(=O)OC)(c1ccccc1)c2cccBenzeneacetLJFIHTFNT 75.8 InChI=1/C176-89-1 59546CC1(C(=O)NC(=O)NC1=O)c2ccBARBITURILSAOZCAK 220 InChI=1/C176-94-8 59547Oc1ccc(cc1)C(C)(CC)c2ccc(O)2,2-bis(4- HTVITOHK 120.5 InChI=1/C177-40-7 59553CC(CC)(CO)CO 2-Ethyl-2- VNAWKNVD 40.3 InChI=1/C677-84-9 59556Clc1cnc(N)cc1 2-Amino-5-MAXBVGJE 137 InChI=1/C51072-98-6 59561C1CCCc2cc3CCCCc3cc12 1,2,3,4,5, LFAYMJXH 78 InChI=1/C11079-71-6 59568C(CCc1ccccc1)Cc2ccccc2 BENZENE, 1GLJFYGFB 52.5 InChI=1/C11083-56-3 59569Cc2cc3N=C1C(=O)NC(=O)N=CLumiflavin KPDQZGKJ 320 InChI=1/C11088-56-8 59571

CRC C[SiH2]C SILANE, DI UBHZUDXT -150 InChI=1/C21111-74-6 59572Aldrich (2000) C=CC2OCC1(COC(OC1)C=C)CPentaerythrOOXMQACS 44.5 InChI=1/C178-19-3 59603

OCC(COCC(COCC(CO)(CO)CO)TripentaeryPTJWCLYP 249 InChI=1/C178-24-0 59604CC(CCC)(CO)CO 1,3-PropanJVZZUPJFE 62.5 InChI=1/C778-26-2 59605BrC(Br)CBr Ethane, 1,1QUMDOMSJ -29.3 InChI=1/C278-74-0 59607Br/C(Br)=C(/Br)Br Ethene, te OVRRJBSH 56.5 InChI=1/C279-28-7 59617

Lide, DR ET AL CC(C)(C)c1cc(ccc1O)C(C)(C)c2Phenol, 4,4ZDRSNHRW 114.4 InChI=1/C279-96-9 59622O=[N+]([O-])OCC(CO[N+](=O)Propatyl NiYZZCJYJBC 51.5 InChI=1/C62921-92-8 59642Cc1cc(C)c(C)cc1C(C)C BENZENE, 1POOXAYBP 21 InChI=1/C110222-95-4 59673CCC(O)CCCCCCCCCC Tridecan-3-LBSIDDOM 32 InChI=1/C110289-68-6 59682O=C(CC)c1ccc(Br)cc1 1-PROPANOUOMOSYFP 48 InChI=1/C910342-83-3 59691O=S(=O)(c1ccc(N)cc1)c2ccc( Acediasulf FKKUMFTY 194 InChI=1/C180-03-5 59823

Lide, DR ET AL Cc1ccc(cc1)S(=O)(=O)Nc2ccc p-ToluenesSIPGNSRR 110 InChI=1/C180-28-4 59829

OC(CCCC)(Cn1cncn1)c2ccc(ClHexaconazSTMIIPIF 111 InChI=1/C179983-71-4 59833Oc1ccc(cc1)C(c2ccccc2C(=O) Benzoic aciFFFPYJTVN 230.5 InChI=1/C281-90-3 59865Oc1ccc(cc1)C(c2ccccc2CO)c3PHENOLPHCREICILG 201.5 InChI=1/C281-92-5 59866O=C(OCC)C(C(=O)OCC)c1ccccPropanedioiFGYDHYCF 16.5 InChI=1/C183-13-6 59885O=C2CCC(=O)N2c1ccccc1 N-PHENYLSZTUKZULGO 156 InChI=1/C183-25-0 59890Brc1ccc(Br)c2ccccc12 NaphthalenIBGUDZMIA 83 InChI=1/C183-53-4 59892O=C(N(CC)CC)c1ccccc1C(=O) 1,2-BenzenOPTBBAGX 36 InChI=1/C183-81-8 59897

ALDRICH (2000CC(C)(C)c2ccc3C(=O)c1ccccc 9,10-AnthrYTPSFXZM 99 InChI=1/C184-47-9 59903Clc2cc(N)ccc2c1ccc(N)cc1Cl 2,2'-DichloXKXPBJBO 165 InChI=1/C184-68-4 59909O=C2N=C1C(=NC=NN1C)C(=OFervenulinSLGRAIAQ 178.5 InChI=1/C7483-57-8 59912O=C1C=Cc2c(OC)c3C=CC(C)( XanthoxyleJSJIIHRND 133 InChI=1/C184-99-1 59919COC1=C(O)C(=O)C(C)=C(O)C 3,6-DIHYD GFAZBXKEN 202.5 InChI=1/C885-23-4 59926O=C(c1ccccc1Cl)c2ccc(Cl)cc2Methanone,YXMYPHLW 67 InChI=1/C185-29-0 59928ClS(=O)(=O)c2cccc1ccccc12 1-NaphthalDASJFYAP 68 InChI=1/C185-46-1 59930OC(=O)c2ccccc2C(=O)c1ccc(CBenzoic aciICQOWIXI 146 InChI=1/C185-55-2 59933O=C1c2ccccc2OC=C1C Tricromyl ABJKIHHN 68 InChI=1/C185-90-5 59939O=C(O)c1cccc2cccnc12 8-QuinolineQRDZFPUV 187 InChI=1/C186-59-9 59951

Ullmann On-LiCc1ccc(cc1)N2N=C(C)CC2=O 3H-PyrazolIOQOLGUX 137.5 InChI=1/C186-92-0 59960Oc2ccccc2C(=O)Oc1ccc(cc1)C4-(t-butyl DBOSBRHM 62 InChI=1/C187-18-3 59965OC=1C(=O)C(Cl)=C(O)C(=O)C=Chloranilic IPPWILKG 283.5 InChI=1/C687-88-7 59971

ALDRICH (2000CC(C)(C)c1cc(cc(c1O)C(C)(C) Ethyl 703 VMZVBRII 93.5 InChI=1/C188-27-7 59976COc1ccc(cc1[N+]([O-])=O)OCBenzene, 1UPTOWXNJ 72.5 InChI=1/C889-39-4 60006O=C(NO)c1ccccc1O SalicylhydrHBROZNQE 168 InChI=1/C789-73-6 60011O=C(Cl)c1ccc(Cl)cc1Cl Benzoyl chlCEOCVKWB 16.5 InChI=1/C789-75-8 60012

ALDRICH (2000OC(=O)c1ccc(Cl)cc1N 2-Amino-4-JYYLQSCZI 232 InChI=1/C789-77-0 60013COc1cc(cc(O)c1C(C)=O)OC Xanthoxyli FBUBVLUP 82 InChI=1/C190-24-4 60021BrCc1ccccc1CBr Benzene, 1KGKAYWMG 95 InChI=1/C891-13-4 60032C(c1ccccc1)N(Cc2ccccc2)c3ccBenzenemetISGXOWLM 69 InChI=1/C291-73-6 60047O=C(Nc1ccc(cc1C)c2ccc(NC(=C.I. AZOI CRRLDLPB 212 InChI=1/C291-96-3 60052Cc1nc2N=C3SC(CCO)=C(C)N35H-ThiachrGTQXMAIX 228.8 InChI=1/C192-35-3 60072O=S(=O)(O)c1cc2cc(ccc2cc1) 2,7-NaphthVILFVXYKH 199 InChI=1/C192-41-1 60073

Aldrich (1998) O=C(Nc1ccccc1)c2cc3ccccc3 Naphthol AJFGQHAHJ 248.5 InChI=1/C192-77-3 60085OC(=O)c1ccc(cc1)c2ccccc2 1,1'-BIPHE NNJMFJSK 228 InChI=1/C192-92-2 60090CN(C)c1ccc2nc(C)ccc2c1 6-QuinolinJGRWYZQO 101 InChI=1/C192-99-9 60091COc1ccc(cc1C=O)OC BenzaldehyAFUKNJHP 52 InChI=1/C993-02-7 60092

Aldrich (1998) COc1cc(ccc1OC)CC#N 3,4-DimethASLSUMIS 62.75 InChI=1/C193-17-4 60093SCC(=O)Nc1ccc2ccccc2c1 Acetamide,SGMHGVVT 111.5 InChI=1/C193-42-5 60099O=C(Oc1ccc2ccccc2c1)c3cccc2-NaphthalDWJIJRSTY 107 InChI=1/C193-44-7 60100CN(C=O)c1ccccc1 N-METHYLJIKUXBYRT 14.5 InChI=1/C893-61-8 60103

Aldrich (1998) O=C(Oc1cccc(c1)OC(=O)c2ccc1,3-BenzenSUQGLJRN -90 InChI=1/C294-01-9 60108O=C(OCCO)c1ccccc1 1,2-ETHANLSWRBVSE 45 InChI=1/C994-33-7 60113O=C(OCCOC(=O)c1ccccc1)c2c1,2-ETHANXFDQLDNQ 73.5 InChI=1/C194-49-5 60116CCOc1ccccc1O O-ETHOXY MOEFFSWK 29 InChI=1/C894-71-3 60121Cc1ccc(Cl)c(N)c1 2-CHLOR-5HPSCXFOQ 29.5 InChI=1/C795-81-8 60136O=C1C=C(Cl)C(=O)O1 2,5-FurandiCXJAFLQW 33 InChI=1/C496-02-6 60138

COc1ccc(N)c(c1)[N+]([O-])=OBENZENAMIQFMJFXFX 124 InChI=1/C796-96-8 60158Aldrich (1998) O=Cc1cc(ccc1O)[N+]([O-])=O5-Nitrosali IHFRMUGE 129 InChI=1/C797-51-8 60173

Nc1ccc(cc1)S(=O)(F)=O BenzenesulBPUKPIBW 68.5 InChI=1/C698-62-4 60187OS(=O)(=O)c1ccc(NN)cc1 BenzenesulfIOMZCWUH 286 InChI=1/C698-71-5 60189OB(O)c1ccccc1 BORONIC AHXITXNWT 219 InChI=1/C698-80-6 60191BrC(=C)c1ccccc1 alpha-BromSRXJYTZC -44 InChI=1/C898-81-7 60192S=C(S)N1CCNCC1 Picadex IDIICHZCE 228 InChI=1/C599-00-3 60193OC(=O)c1cc(cc(N)c1)C(=O)O 1,3-BenzenKBZFDRWP 360 InChI=1/C899-31-0 60197

Lide, DR et al. OS(=O)c1ccc(Cl)cc1 BenzenesulfAOQYAMDZ 99 InChI=1/C6100-03-8 60211OS(=O)(=O)c2ccc(Nc1ccccc1)BenzenesulHYKDWGUF 206 InChI=1/C1101-57-5 60229COc2ccc(Nc1ccc(N)cc1)cc2 N-(p-MethoRBLUJIWKM 102 InChI=1/C1101-64-4 60232Oc1ccc(NC(=O)CCC)cc1 ButanamideKESXDDAT 139.5 InChI=1/C1101-91-7 60237

Aldrich (1998) COB1OB(OC)OB(OC)O1 Boroxin, t ZFMOJHVR 10 InChI=1/C3102-24-9 60242O=S(N)(=O)c2ccc(/N=N/c1cccSulfamidocABBQGOCH 249.5 InChI=1/C1103-12-8 60257O=C(O)CSCc1ccccc1 S-BENZYLMAWLVTQRR 61 InChI=1/C9103-46-8 60259O=S(=O)(O)CCNC1CCCCC1 CHES MKWKNSIE 320 InChI=1/C8103-47-9 60260CCOc1ccc(cc1)NC(=O)CN Phenocoll LQJARUQX 100.5 InChI=1/C1103-97-9 60263O=C(OC1CCCCC1)CCCCCCCC OctadecanoiNRVKWKPZ 44 InChI=1/C2104-07-4 60265Nc1ccc(CCO)cc1 P-AMINOPQXHDYMUP 109 InChI=1/C8104-10-9 60266Nc1ccc(cc1)S(=O)(=O)NCc2ccBenzenesulZHKXBELK 171 InChI=1/C1104-22-3 60271CCCCOc1ccc(OCCCC)cc1 Benzene, 1ZROGCHDP 45.5 InChI=1/C1104-36-9 60273CCC(CC)COC(=O)CCCCCCCC(=NonanedioicHFEFYTCE -45 InChI=1/C2105-03-3 60282

ALDRICH (2000CC(C)OC(=S)SSC(=S)OC(C)C ThioperoxydZWWQICJT 55 InChI=1/C8105-65-7 60285O=C(OCCOCCOCCOCCO)CCCCOctadecanoSBKDIDITO 40 InChI=1/C2106-07-0 60296

ChemFinder (2Cc1nnc(N)s1 1,3,4-ThiadHMPUHXCG 224.5 InChI=1/C3108-33-8 60308O=C(O)C(Br)CCCCCCCCCC DodecanoicHXKXBCBZ 32 InChI=1/C1111-56-8 60338ClC(=O)CCCCCCCCC Decanoyl cIPIVAXLHT -34.5 InChI=1/C1112-13-0 60340ClC(=O)CCCCCCCCCCCCC TetradecanLPWCRLGK -1 InChI=1/C1112-64-1 60344

CHEM INSPECT CCCCCCCCCCCCCCCCCC\N=COctadecaneQWDQYHPO 20 InChI=1/C1112-96-9 60346CC1(C)C(=O)NC(=O)N1CO 1-(HydroxySIQZJFKT 100 InChI=1/C6116-25-6 60357Nc1ccc(cc1)S(=O)(=O)NC(=O)SulfaproxylFBFBRAFXK 172.5 InChI=1/C1116-42-7 60359

Lide, DR ET AL [O-][N+](=O)c1cc2c(c(c1C)[N+Moskene UHWURQRP 132.5 InChI=1/C1116-66-5 60362O=C(O)c2ccc3C(=O)c1ccccc1 9,10-DioxoASDLSKCK 291 InChI=1/C1117-78-2 60382

Lide, DR ET AL O=Nc1c(O)ccc(N=O)c1O 2,4-DinitroIBZJGOGLC 168 InChI=1/C6118-02-5 60387CNc1ccccc1C(=O)O Benzoic acWVMBPWM 180.5 InChI=1/C8119-68-6 60420COc1ccc2NCCCc2c1 Quinoline, FRXSZNDV 42.5 InChI=1/C1120-15-0 60461CCN(CC)c1ccc(cc1)C=O BenzaldehyMNFZZNNF 41 InChI=1/C1120-21-8 60462CCN(CC)c1ccc(cc1)N=O BenzenaminOLNMJIHA 87.5 InChI=1/C1120-22-9 60463COc1cc(ccc1OCC)C=O BenzaldehyBERFDQAM 64.5 InChI=1/C1120-25-2 60464Nc1ccc(cc1)S(=O)(=O)NC(=O)cN-SulfanilyLFAXYIHY 222.5 InChI=1/C1120-34-3 60466O=[N+]([O-])c1ccc(cc1)C(=O n-Butyl 4- DVTGVOHT 35.5 InChI=1/C1120-48-9 60469O=S(N)(=O)c1cc(c(N)cc1Cl)S(ChloaminoIHJCXVZDY 254.5 InChI=1/C6121-30-2 60483O=S(N)(=O)c1cc(ccc1)[N+]([OM-NITROBTXTQURPQ 167 InChI=1/C6121-52-8 60485OC(=O)c1cc(ccc1O)Cc2ccc(O)3,3'-MethyJWQFKVGAC 243.5 InChI=1/C1122-25-8 60490

ALDRICH (2000OCCN1CCN(CC1)CCO 1,4-Pipera VARKIGWT 134.75 InChI=1/C8122-96-3 60496

N#C/C(C#N)=C\OCC PropanedinOEICGMPR 66 InChI=1/C6123-06-8 60497Oc1ccc(cc1)C(C)(CCC(=O)O)c DiphenolinVKOUCJUT 171.5 InChI=1/C1126-00-1 60518C/C(C)=N\O 2-PROPANOPXAJQJMD 61 InChI=1/C 127-06-0 60524O=C1CCC(=O)N1Br 2,5-Pyrrol PCLIMKBD 174 InChI=1/C4128-08-5 60528

CHEM INSPECT O=S(=O)(O)c3cc(N)c2c(C(=O)2,6-AnthracMVWQCFNJ 300 InChI=1/C1 2/1/2861 60539OC1=C(c2ccccc2NC1=O)c3cccViridicatin QSRVMXWV 268 InChI=1/C1129-24-8 60543

ALDRICH (2000O=C1Nc3cccc2cccc1c23 Benz(cd)in GPYLCFQE 175.5 InChI=1/C1130-00-7 60558CCOc1ccccc1C(=O)O Benzoic aciXDZMPRGF 20.7 InChI=1/C9134-11-2 60586O=C(C)Oc2ccccc2C(=O)Oc1ccBENZOIC ACPSBAIJVSC 96 InChI=1/C1134-55-4 60590O=C(c1ccccc1)c2cccs2 METHANONEDWYFUJJW 56.5 InChI=1/C1135-00-2 60596Cc1ccc2Sc3ccc(C)cc3Sc2c1 MesulphenXTLNLAUJ 123 InChI=1/C1135-58-0 60604c1ccc2Oc3ccccc3Nc2c1 PHENOXAZTZMSYXZU 156 InChI=1/C1135-67-1 60610Oc1cc(O)c(Cl)cc1Cl 1,3-BenzeneGRLQBYQE 113 InChI=1/C6137-19-9 60631O=C(CCCC)OCCC PENTANOICROJKPKOY -70.7 InChI=1/C8141-06-0 60659OCCOCCOC(=O)CCCCCCCCCCDodecanoicWGIMXKDC 17.5 InChI=1/C1141-20-8 60661

Aldrich (1998) Clc1ccc(Cl)nn1 Pyridazine,GUSWJGOY 67.5 InChI=1/C4141-30-0 60662CCCCCC(Cl)=O Hexanoyl cYWGHUJQY -87 InChI=1/C6142-61-0 60671

Lide, DR ET AL.O=[N+]([O-])c1c(C)c(C)c(C)c( Musk tibetMINYPECW 135.5 InChI=1/C1145-39-1 60681C(CNc1ccccc1)Nc2ccccc2 1,2-EthaneNOUUUQMK 74 InChI=1/C1150-61-8 60747c1cccc3c1ccc2nc4ccccc4c23 7H-Benzo[cUGFOTZLG 134 InChI=1/C1205-25-4 60784c2cc1ncccc1c3cccnc23 4,7-PHENADATYUTWE 177 InChI=1/C1230-07-9 60796c1ccc2c3Cc4cc5ccccc5cc4c3c1,2,5,6-D NKSFFULB 174.5 InChI=1/C2207-83-0 60805n1cnnc2ccccc12 1,2,4-BEN GDAXJBDY 75.8 InChI=1/C7254-87-5 60815c1ccc2Sc3ccccc3Cc2c1 Thioxanth PQJUJGAVD 128.5 InChI=1/C1261-31-4 60819c1cnnn1 2H-1,2,3-T QWENRTYM 23 InChI=1/C2288-36-8 60839c1nnnn1 1H-TETRAZKJUGUADJ 157 InChI=1/CH288-94-8 60842S1CSSCSS1 1,2,3,5,6- DZKOKXZN 60.5 InChI=1/C2292-46-6 60844C1CCCCCCCCCCCCCC1 Cyclopent SRONXYPF 61.3 InChI=1/C1295-48-7 60848FC(F)(C(F)(F)C(=O)O)C(F)(F)C(FPerfluorodCXGONMQF 108 InChI=1/C1307-55-1 60867FC(F)(F)c1nc2ccccc2n1 2-CF3 BEN MXFMPTXD 209.5 InChI=1/C8312-73-2 60882Fc2c1c(F)c(F)c(F)c(F)c1c(F)c( OctafluoroJDCMOHAF 87.5 InChI=1/C1313-72-4 60886Fc1cc(F)cc(F)c1[N+](=O)[O-] 1,3,5-Trifl PWRFDGYY 3.5 InChI=1/C6315-14-0 60889Fc2ccccc2c1ccccc1 1,1'-BiphenKLECYOQF 73.5 InChI=1/C1321-60-8 60900FC(F)(F)c1cc2nccc(O)c2cc1 4-HYDROXYOWPLFJSQ 267.5 InChI=1/C1322-97-4 60903Fc1ccc2ccccc2c1 NAPHTHALEBAGQBTME 61 InChI=1/C1323-09-1 60904O=C(OC)c1ccc2OCOc2c1 1,3-BenzodiQCHGUEIE 53 InChI=1/C9326-56-7 60911

ALDRICH (2000Fc1cc(F)c(cc1[N+](=O)[O-])[N1,5-DifluorVILFTWLXL 73 InChI=1/C6327-92-4 60919FC(F)(F)Oc1ccc(cc1)C(=O)O 4-(Trifluo RATSANVP 152 InChI=1/C8330-12-1 60933Fc1cc(CC(=O)O)ccc1 M-FLUOROPYEAUYVGUX 43 InChI=1/C8331-25-9 60937FC(F)(C(F)(F)C(=O)O)C(F)(F)C PerfluoroadAXRSOGFY 134 InChI=1/C6336-08-3 60959FC1(F)C(F)(F)C(Cl)=C(Cl)C(F)( 1,2-DiCL-3,BICOGOBT -70 InChI=1/C6336-19-6 60960FC(F)(C(=O)OC(=O)C(F)(F)C(F)(Butanoic acUFFSXJKV -43 InChI=1/C8336-59-4 60962

LIDE,DR ET AL.FC(F)(F)c1nc(N)sc1C(=O)OCC5-ThiazolecXJRPTMOR 186.5 InChI=1/C7344-72-9 60975S=C3SCN(Cc1ccccc1)CN3Cc2cSulbentineQFVAWNPS 101.5 InChI=1/C1350-12-9 61005FC(F)(F)c1cccc(CC(=O)O)c1 M-(TRIFLUBLXXCCIB 77 InChI=1/C9351-35-9 61014

BrC(Br)(Br)F Methane, tIHZAEIHJP -73.6 InChI=1/CB353-54-8 61026FC(F)(F)C(N)=O TRIFLUOR NRKYWOKH 72.5 InChI=1/C2354-38-1 61036FC(F)(C(F)(F)C(F)(F)F)C(F)(C(FUndecafluoROVMKEZV -119 InChI=1/C6355-04-4 61045FC(F)(C(F)(F)C(F)(F)I)C(F)(F)C(Hexane, triBULLJMKU -46 InChI=1/C6355-43-1 61052FC(F)(C(F)(F)C(=O)OC)C(F)(F) Butanoic acMRPUVAKB -86 InChI=1/C5356-24-1 61060

CRC CC[Si](F)(F)CC DifluorodieOJBGGLLCY -78.7 InChI=1/C4358-06-5 61067Fc1cc(F)c(N)c(F)c1 2,4,6-Trifl BJSVKBGQ 35 InChI=1/C6363-81-5 61084Fc1ccc(F)cc1[N+](=O)[O-] BENZENE, XNJAYQHW -11.7 InChI=1/C6364-74-9 61086

LIDE,DR ET AL.O=[N+]([O-])c1cc(N)ccc1F 4-Fluoro-3-LLIOADBCF 97.5 InChI=1/C6364-76-1 61087FC(F)(F)c1cccc(C#N)c1 A,A,A-TRI OGOBINRV 14.5 InChI=1/C8368-77-4 61101

LIDE,DR ET AL.ClC(Cl)(C(Cl)(Cl)C(F)(F)F)C(F)( Butane, 2,2BZBLUUDR 83.5 InChI=1/C4375-34-8 61128FC(F)(C(F)(F)C(=O)O)C(F)(F)C PerfluoroglCCUWGJDG 80 InChI=1/C5376-73-8 61144

ALDRICH (2000FC(F)(C(F)(F)CO)C(F)(F)CO 1,5-PentaneIELVMUPS 79.5 InChI=1/C5376-90-9 61148FC(F)(C(=O)O)C(F)(F)C(=O)O ButanedioicYUDUFRYT 119 InChI=1/C4377-38-8 61150FC1(F)N(C(F)(F)C(F)(F)OC1(F)FPerfluoro- PQMAKJUX -80 InChI=1/C5382-28-5 61156

ALDRICH (2000O=[N+]([O-])c1cc(cc(c1Cl)C(FBenzene, 2-RLXKADBM 63 InChI=1/C7392-95-0 61168O=C(C)Nc1ccccc1F 2-FLUOROAAUZPZBPZ 78 InChI=1/C8399-31-5 61177FC(F)(F)c1ccc(F)cc1 Benzene, 1-UNNNAIWP -41.7 InChI=1/C7402-44-8 61190FC(F)(F)c1ccc(O)cc1 P-TRIFLU BAYGVMXZ 46 InChI=1/C7402-45-9 61191O=C(Cl)c1ccc(F)cc1 Benzoyl chlCZKLEJHV 9 InChI=1/C7403-43-0 61196N#Cc1cc(F)ccc1 BENZONITRJZTPKARO -16 InChI=1/C7403-54-3 61197O=C(O)COc1ccc(F)cc1 P-FLUOROPZBIULCVFF 104.25 InChI=1/C8405-79-8 61199C=Cc1ccc(F)cc1 BENZENE, JWVTWJNG -34.5 InChI=1/C8405-99-2 61200CC(C)(F)F PROPANE, YZXSQDNP -104.8 InChI=1/C3420-45-1 61212CC(F)(F)CCl PROPANE, OOXYGJSM -56.2 InChI=1/C3420-99-5 61213BrCC(F)(F)F 1,1,1-Trif TZNJHEHAY -93.9 InChI=1/C2421-06-7 61215FC(F)(C(F)(F)C(F)(F)I)C(F)(F)F Butane, 1,1PGRFXXCKH -68 InChI=1/C4423-39-2 61234

ALDRICH (2000FC(F)(C(F)(F)C(F)(F)I)C(F)(F)C(Decane, heUDWBMXSQ 66 InChI=1/C1423-62-1 61237FC(F)(C(=O)OCC)C(F)(F)F ETHYL PE DBOFMRQA 75.5 InChI=1/C5426-65-3 61245

LIDE, DR ET AL.Cl/C(Cl)=C(/Cl)C(F)(F)F 1,1,2-TrichQSSVZVNYQ 114.6 InChI=1/C3431-52-7 61255BEYERLEIN,AL EFC(F)(F)C(F)C(F)(F)F HFC-227ea YFMFNYKE -127.1 InChI=1/C3431-89-0 61257

OC(=O)c1c(F)cccc1Cl BENZOIC AXNTIGDVF 160 InChI=1/C7434-75-3 61264Fc1c(c(F)c(F)c(F)c1F)c2c(F)c(FDecafluoroONUFSRWQ 67.5 InChI=1/C1434-90-2 61266FC(F)(F)c1ccccc1O O-TRIFLU ZOQOPXVJ 45.5 InChI=1/C7444-30-4 61273O=C(N)c1ccccc1F 2-FLUORO KGGHWIKB 118 InChI=1/C7445-28-3 61279Cc1ccc(F)cc1[N+](=O)[O-] 2-Nitro-4-fSKWTUNAA 27 InChI=1/C7446-10-6 61280Fc1cc(C)ccc1[N+](=O)[O-] Benzene, 2-WZMOWQC 53.2 InChI=1/C7446-34-4 61281FC(F)(F)c1ccccc1C#N A,A,A-TRI SOZGHDCE 18 InChI=1/C8447-60-9 61287Fc1ccccc1CC(=O)O O-FLUOROPRPTRFSADO 63 InChI=1/C8451-82-1 61294Fc1ccc(N)c(C)c1 BenzenaminKMHLGVTVA 14.2 InChI=1/C7452-71-1 61297FC(=O)c1ccccc1 Benzoyl fluHPMLGNIU -28 InChI=1/C7455-32-3 61314FC(F)(F)Oc1ccccc1 TRIFLUOR GQHWSLKN -50 InChI=1/C7456-55-3 61325CCOc1ccc(F)cc1 BENZENE, PURLWQWD -8.5 InChI=1/C8459-26-7 61333OCc1ccc(F)cc1 BENZENEMEGEZMEIHV 23 InChI=1/C7459-56-3 61337

BEYERLEIN,AL EFC(F)CC(F)(F)F HFC-245fa MSSNHSVIG -102 InChI=1/C3460-73-1 61345

LIDE,DR ET AL.Nc1ccnc(N)c1 2,4-DiaminIFFLKGMD 107 InChI=1/C5461-88-1 61351O=C1NC(=O)C=NN1 1,2,4-TRIA SSPYSWLZ 274.5 InChI=1/C3461-89-2 61352Nc1cc(C)nc(C)n1 2,6-DIMETBJJDXAFKC 183 InChI=1/C6461-98-3 61354O=C(O)CCCCCCCCCCF 11-Fluoro- DDQFXHFW 36 InChI=1/C1463-17-2 61359N=CN FormamidiPNKUSGQV 81 InChI=1/CH463-52-5 61362Cc1ccc(cc1)S(=O)(=O)N(Cl)Cl BenzenesulARGDYOIR 83 InChI=1/C7473-34-7 61371O=Cc2c(O)cc(C)c(C(=O)Oc1ccAtranorin YLOYKYXN 195 InChI=1/C1479-20-9 61380Nc1cccc2cccc(N)c12 1,8-NAPHTYFOOEYJG 66.5 InChI=1/C1479-27-6 61381C1Cc2cccc3CCCN(C1)c23 1H,5H-BenzoDZFWNZJK 40 InChI=1/C1479-59-4 61383[O-][n+]1onc2ccccc12 BENZOFURAOKEAMBAZ 70 InChI=1/C6480-96-6 61388COc2c3ccoc3nc1ccccc12 Dictamnin WIONIXOB 133.5 InChI=1/C1484-29-7 61397Oc1c(Cl)c(Cl)c(OC)c(Cl)c1Cl PHENOL, 2XIWJLPHQ 116 InChI=1/C7484-67-3 61400O=C(C)Oc1cccc(c1OC(C)=O)CDipyrocetyNYIZXMGN 149 InChI=1/C1486-79-3 61404

ALDRICH (2000BrC=1C(=O)C(Br)=C(Br)C(=O)Bromanyl LWHDQPLUI 293 InChI=1/C6488-48-2 61410Cc1c(C)c(C)cc(O)c1C Phenol, 2,3PXSSNPBE 85.3 InChI=1/C1488-70-0 61411Oc1cc(C)cc(O)c1C 2,5-DIMETGHVHDYYK 163 InChI=1/C8488-87-9 61412O=C2OC=Cc1ccccc12 1H-2-BenzoIQZZFVDI 47 InChI=1/C9491-31-6 61416O=C2CCOc1ccccc12 4H-1-BENZMSTDXOZU 36.5 InChI=1/C9491-37-2 61418

ALDRICH (2000CCOc1cccc(C=O)c1O BenzaldehyOFQBYHLL 67 InChI=1/C9492-88-6 61425Oc1c(CCCCCCCCCCCCCCC)cc 1,2-BenzenDQTMTQZS 59.5 InChI=1/C2492-89-7 61426O=C(C(=O)c1ccco1)c2ccco2 FURAN, 2- SXPUVBFQ 164 InChI=1/C1492-94-4 61427c1csc(c1)c2cccs2 2,2'-BITHI OHZAHWOA 33 InChI=1/C8492-97-7 61428n1cc(ccc1)c2cc(ccn2)c3cccncNicotellineOILSPHJM 147.5 InChI=1/C1494-04-2 61431COc1cc(C)ccc1OC Benzene, 1GYPMBQZA 24 InChI=1/C9494-99-5 61434OC1=CC=COC1=O 2H-PYRAN-LIPRKYKM 93.8 InChI=1/C5496-64-0 61438Oc1cc(CCCCCCCCCCCCCCC)ccPhenol, 3- PTFIPECG 53.5 InChI=1/C2501-24-6 61454O=C1C=CC=CO1 D-VALERO ZPSJGADGU -12.5 InChI=1/C5542-28-9 61462O=C1C=CC=CO1 2H-PYRAN-ZPSJGADGU 8.5 InChI=1/C5504-31-4 61462

ALDRICH (2000C1CCNCCN1 1H-1,4-DiaFQUYSHZXS 43.5 InChI=1/C5505-66-8 61471CCCOCOCCC Propane, 1,HOMDJHGZ -97.3 InChI=1/C7505-84-0 61473O=C(O)CCCCCCCC#CCCCCCC Octadec-9-RGTIBVZD 48 InChI=1/C1506-24-1 61475CCCCCCCCCCCCCCCCCCCCCC1-HexacosaIRHTZOCL 80 InChI=1/C2506-52-5 61478BrC(Br)(Br)C(O)O 2,2,2-TRI NJHVMXFN 53.5 InChI=1/C2507-42-6 61488Nc1ccc(cc1)C3(OC(=O)c2ccccAnilinephthPLYHMRQA 203 InChI=1/C2509-77-3 61490Cc2csc(NS(=O)(=O)c1ccc(N)c SulfamethyKJVQYDYP 237 InChI=1/C1515-59-3 61501O=C(O)c1cccc2cccc(C(=O)O)c1,8-NaphthHRRDCWDF 260 InChI=1/C1518-05-8 61511O=C(O)c4ccccc4C1c3ccc(O)c Fluorescin MURGITYS 126 InChI=1/C2518-44-5 61512COc1ccc(C=O)c(c1OC)C(=O)O6-Formyl-2HVXXOIGT 150 InChI=1/C1519-05-1 61517Oc1ccc(cc1O)C(=O)c2c(O)cc(Maclurin XNWPXDGR 222.5 InChI=1/C1519-34-6 61520O=C2c1ccccc1C(=O)N2c3cccc1H-ISOINDOMFUPLJQN 210 InChI=1/C1520-03-6 61522Brc2c1ccccc1c(Br)c3ccccc23 AnthraceneBRUOAURM 226 InChI=1/C1523-27-3 61529COc1ccc(cc1)\C(=N\Cc2cccccBenylimidoIZZONQFQ 90 InChI=1/C2524-96-9 61535COc1ccc(cc1OC)CCc2cc(OC)cGalipine XYXVQWAP 115.5 InChI=1/C2525-68-8 61536Cc1c(C)ccc(O)c1C Phenol, 2,3XRUGBBIQL 81 InChI=1/C9526-85-2 61538CC=1C(=O)C(C)=C(C)C(=O)C= DUROQUINWAMKWBHY 111.5 InChI=1/C1527-17-3 61539

FC=1C(=O)C(F)=C(F)C(=O)C=12,5-CYCLO JKLYZOGJ 184 InChI=1/C6527-21-9 61540O=C1C=C(C)C(=O)C(C)=C1 2,5-CYCLO SENUUPBB 72.5 InChI=1/C8527-61-7 61542Clc2c1Oc3c(OC(=O)c1c(C)c(ClDiploicin AXZCNBVM 232 InChI=1/C1527-93-5 61544O=[N+]([O-])c1cc(ccc1C=O)[N2,4-Dinitr ZILXIZUBL 72 InChI=1/C7528-75-6 61548ClSc1ccc(cc1[N+]([O-])=O)[N+BenzenesulfGPXDNWQS 99 InChI=1/C6528-76-7 61549CC(C)c1cc2c(C)cccc(C)c2c1 2-IsopropyAPVKGMMY 32.3 InChI=1/C1529-08-8 61551O=Cc1ccccc1N 2-AminobeFXWFZIRW 39 InChI=1/C7529-23-7 61553Oc2cccc1CCCCc12 1-NAPHTHASCWNNOCL 70 InChI=1/C1529-35-1 61556COC1=CC(=O)C=C(OC)C1=O 2,6-DIMETOLBNOBQO 256 InChI=1/C8530-55-2 61560O=C(n1cncc1)n2ccnc2 1H-ImidazolPFKFTWBE 119 InChI=1/C7530-62-1 61561O=C1Cc2ccccc2CC1 2(1H)-NaphKCKZIWSIN 18 InChI=1/C1530-93-8 61564Oc1cc(cc(O)c1)c2cc(O)cc(O)c1,1'-BiphenyVZLUGGCF 310 InChI=1/C1531-02-2 61566O=C(Oc1ccccc1OC)c2ccccc2 Guaiacol b IZYQCDNL 57.5 InChI=1/C1531-37-3 61569c1ccccc1Nc2ccc(cc2)c4ccc(N 1,1'-BiphenFDRNXKXK 247 InChI=1/C2531-91-9 61577O=C(Nc1cc2cccnc2cc1)Nc3cc1,3-Di-6-quMJNIRKGF 262 InChI=1/C1532-05-8 61578c3cccc4ccc(Nc1cc2ccccc2cc1b,b'-Dinap SBMXAWJS 172.2 InChI=1/C2532-18-3 61580Oc1cc(O)ccc1CCCCC 1,3-BenzenePJHYOCWM 72.5 InChI=1/C1533-24-4 61584Nc1ccc2ncsc2c1 6-BENZOT FAYAYUOZ 87 InChI=1/C7533-30-2 61585Nc2ccccc2Nc1ccccc1 1,2-BenzenNFCPRRWC 79.5 InChI=1/C1534-85-0 61594O=C(CBr)c1ccc(Cl)cc1 Ethanone, FLAYZKKEO 96.5 InChI=1/C8536-38-9 61599Oc1ccc(CCN(C)C)cc1 HordenineKUBCEEMX 117.5 InChI=1/C1539-15-1 61609COC1CC1 CyclopropaZUVAACFI -119 InChI=1/C4540-47-6 61618CC(C)(C)OC(=O)CC(=O)OC(C)(PropanedioiCLPHAYNB -6 InChI=1/C1541-16-2 61619

CRC CC[SiH2]CC Silane, dietUCXUKTLC -134.3 InChI=1/C4542-91-6 61632O1[Si](O[Si](O[Si](O[Si]1(c2 OctaphenylVSIKJPJIN 200.5 InChI=1/C4546-56-5 61642O=S(=O)(c1ccc(N)cc1)c2ccc( Succisulfo QAJQUUOB 157 InChI=1/C15934-14-5 61645Nc1ccc(cc1)S(=O)(=O)Nc2cccN1-(4-SO2 GCQZFVAH 137 InChI=1/C1547-52-4 61646[O-][N+](=O)c1ccc(cc1)N2N=Picrolonic OVFUUSPK 116 InChI=1/C1550-74-3 61657[O-][N+](=O)c1ccc(OCCC)c(c ACETAMIDEOPTZOXDYE 102.5 InChI=1/C1553-20-8 61663O=C1Cc2ccccc2O1 3H-BenzofuACZGCWSM 50 InChI=1/C8553-86-6 61668O=[N+]([O-])c1ccc(CC#N)cc1 BenzeneacetPXNJGLAV 117 InChI=1/C8555-21-5 61672CCCCCCCCCCCCCCCCCCCCCC1-OctacosaCNNRPFQI 83.3 InChI=1/C2557-61-9 61689CC(C)(O)CCl 2-PropanolJNOZGFXJ -20 InChI=1/C4558-42-9 61692O=C1NC(=O)NC(=O)C1(CC=C)CBARBITURIYSHCQOMY 156 InChI=1/C1561-83-1 61698O=C1NC(=O)NC(=O)C1(CC(BrBARBITURICDYODAJAE 168.5 InChI=1/C1561-86-4 61699

Kirk-Othmer O=C(C)O[Si](OC(C)=O)(OC(=OSilicon Tet YZVRVDPM 110 InChI=1/C8562-90-3 61702COc3ccccc3OP(=O)(Oc1cccc Guaiacol P ADBFDJQR 91 InChI=1/C2563-03-1 61703CC(C)C(N)=O PropanamidWFKAJVHL 128 InChI=1/C4563-83-7 61707COc1c(ccc2COC(=O)c12)OC Meconin ORFFGRQM 102.5 InChI=1/C1569-31-3 61717OC(=O)c1ncnc1C(O)=O 1H-IMIDAZZEVWQFWT 288 InChI=1/C5570-22-9 61722Oc2ccc3C(=O)c1ccc(O)cc1C(=9,10-AnthrRZTIWMXQ 353.8 InChI=1/C1572-93-0 61725Oc1cccc2ccc(O)cc12 NAPTHALENZUVBIBLY 180.5 InChI=1/C1575-38-2 61739Oc2cccc1cc(O)ccc12 1,6-NaphthFZZQNEVOY 138 InChI=1/C1575-44-0 61740O=C(NCCCC)c1ccc(Cl)cc1O BUCLOSAMZGJHIFYEQ 91.5 InChI=1/C1575-74-6 61743OC(=O)c1ccccc1C(C)=O O-ACETYLBQDAWXRKT 114.5 InChI=1/C9577-56-0 61749

Nc1ccnc2ccccc12 4-AMINOQFQYRLEXK 154.8 InChI=1/C9578-68-7 61751O=C(C)Oc1ccccc1C(=O)OC ACETYLSALIONWPLBKW 51.5 InChI=1/C1580-02-9 61759n1cc(ccc1)c2cccnc2 3,3'-BIPYR OFDVABAU 68 InChI=1/C1581-46-4 61762c1cc(ccn1)c2ccccn2 (4-PYRIDYLRMHQDKYZ 61.5 InChI=1/C1581-47-5 61763O=C(CO)c1ccccc1 Ethanone, ZWVHTXAY 90 InChI=1/C8582-24-1 61765O=C(Nc1cc(C)ccc1)c2ccccc2 N-m-Tolyl-PDEGMQCB 125 InChI=1/C1582-77-4 61771Oc1cc(Br)c(O)cc1 1,4-BenzenREFDOIWR 111.5 InChI=1/C6583-69-7 61777CC(C)(C)c1cccc(n1)C(C)(C)C 2,6-DI-T-B UWKQJZCT 2.2 InChI=1/C1585-48-8 61785O=[N+]([O-])c1cc(C=C)ccc1 (3-Nitroph SYZVQXIU -10 InChI=1/C8586-39-0 61789O=C(Cl)c1ccc(Br)cc1 Benzoyl chDENKGPBH 42 InChI=1/C7586-75-4 61790BrCCCOc1ccccc1 Benzene, ( NIDWUZTT 10.7 InChI=1/C9588-63-6 61797BrCCOc1ccccc1 Benzene, ( JJFOBACUI 39 InChI=1/C8589-10-6 61801BrCc1ccc(Br)cc1 Benzene, 1YLRBJYMA 63 InChI=1/C7589-15-1 61802ClCc1ccc(Br)cc1 p-BromobenBSIIGUGKO 50 InChI=1/C7589-17-3 61803BrCCI 1-bromo-2HKQCJJOX 28 InChI=1/C2590-16-9 61806NC(=O)OC(C)(C)CC 2-Butanol, AUQKXXDH 86 InChI=1/C6590-60-3 61808CC#CC(=O)O 2-Butynoic LUEHNHVF 78 InChI=1/C4590-93-2 61810[O-][N+](=O)c1ccc(cc1)Oc2ccNitroscanaSVMGVZLU 110 InChI=1/C119881-18-6 61821Nc1ccc(cc1)C(=O)OCC(CC(C)CLeucinocaiMLHBDHJH 158 InChI=1/C1135-44-4 61904O=C(O)Cc2c(c(nn2c1ccccc1)cIsofezolac LZRDDINFI 200 InChI=1/C250270-33-2 61931O=C(O)Cc1cn(nc1c2ccc(Cl)ccLonazolac XVUQHFRQ 150.5 InChI=1/C153808-88-1 61957OC(=O)C1NC(CCSCC(=O)OCC)Letosteine IKOCLISPV 142 InChI=1/C153943-88-7 61958Nc2nc(N)ncc2Cc1cc(OC)c(Br)24-NH2PYRBFCRRLMM 226.5 InChI=1/C156518-41-3 62004O=C(Nc1c(C)cccc1C)C2=CC= Isonixin WJDDCFNF 266.5 InChI=1/C157021-61-1 62011Clc1ccc(cc1)c2nc3c4ccccc4c Lotrifen DGWUVKLB 239 InChI=1/C166535-86-2 62098O=S(=O)(Nc1ncc(C)cn1)c2cccSULFAPERIDZQVFHSC 262.5 InChI=1/C1599-88-2 62158O=S(N)(=O)c1cc(c(C)cc1Cl)S( DisulfamidRCFKEIREO 260 InChI=1/C7671-88-5 62160Fc1ccc(cc1)C3C(=O)c2ccccc2 FluindioneNASXCEITK 120 InChI=1/C1957-56-2 62167CC(=O)NC(N)=O Acetamide,GKRZNOGG 218 InChI=1/C3591-07-1 62179Nc1ccncn1 4-PYRIMIDOYRRZWAT 155 InChI=1/C4591-54-8 62181O=C(CCCCCCCCCCCCCCC)ONAmmonium LRIHKZML 22 InChI=1/C1593-26-0 62193CCCCCCCCCCCCCCCCCCCCCC1-Triacont REZQBEBO 88 InChI=1/C3593-50-0 62194C#CCl ETHYNE, C DIWKDXFZ -126 InChI=1/C2593-63-5 62197CB(C)C Trimethyl WXRGABKA -161.5 InChI=1/C3593-90-8 62201S=C(S)S TrithiocarbHIZCIEIDI -30 InChI=1/CH594-08-1 62204CP(C)C PHOSPHINEYWWDBCBW -85 InChI=1/C3594-09-2 62205BrC(Br)(Br)Cl tribromoc GKXZMEXQ 55 InChI=1/CB594-15-0 62206CC(C)(N)CC 2-ButanamiGELMWIVB -105 InChI=1/C5594-39-8 62208CC(C)(Cl)C(=O)O ChlorodimeMYCXCBCD 31 InChI=1/C4594-58-1 62209Oc2ccc(c1ccccc12)C4(OC(=O)a-NaphtholHQHBAGKI 254 InChI=1/C2596-01-0 62215Oc1ccc(cc1C)C3(OC(=O)c2ccco-CresolphCPBJMKMK 223 InChI=1/C2596-27-0 62217CCS(=O)(=O)CC DIETHYL S MBDUIEKY 73.5 InChI=1/C4597-35-3 62226O=C(C)OCC(COC(=O)C)(COC( 1,3-PropaneOUHCZCFQ 83.5 InChI=1/C1597-71-7 62229CCCCS(=O)(=O)CCCC Butane, 1,1AIDFJGKW 45 InChI=1/C8598-04-9 62236C#CC(C)C 1-BUTYNE,USCSRAJGJ -89.7 InChI=1/C5598-23-2 62241

O=C(O)C(O)C(Cl)(Cl)Cl 3,3,3-TrichPBXLMODG 125 InChI=1/C3599-01-9 62250Cc1ccc(cc1)S(=O)(=O)c2ccc(CBenzene, 1,WEAYCYAI 159 InChI=1/C1599-66-6 62252O=S(=O)(CC)c1ccccc1 Ethyl phenyVBQUDDWA 42 InChI=1/C8599-70-2 62254[O-][N+](=O)c1cccc2cccc(Cl) 1-Chloro-8QOHQXCPA 95.8 InChI=1/C1602-37-9 62262c1cccc2nc4ccccc4c(c12)c3cc 9-Phenyl-aMTRFEWTW 184 InChI=1/C1602-56-2 62263O=C(OCC)N(c1ccccc1)c2cccc N,N-DiphenHKTSLDUA 72 InChI=1/C1603-52-1 62272Cc2c3ccccc3c1ccccc1c2C PHENANTHRJUEORGSHI 144 InChI=1/C1604-83-1 62277O=C(OCCOCC)c1ccccc1C(=O 1,2-BenzeneRMKYMNRQ 34 InChI=1/C1605-54-9 62281COC1=C(OC)C(=O)C(C)=CC1=2,5-CYCLO UIXPTCZP 59.5 InChI=1/C9605-94-7 62289O=[N+]([O-])c1cccc([N+]([O- 2,6-DINITRQFUSCYRJ 141.5 InChI=1/C6606-22-4 62291O=[N+]([O-])c1ccccc1C(=O)OBENZOIC ACAOXPHVNM -13 InChI=1/C8606-27-9 62292CCN(CC)c1ccccc1C BenzenaminYQYUUNRA -60 InChI=1/C1606-46-2 62295

LIDE, DR ET AL.O=C(CC(c1ccccc1)c2ccccc2)c PropiophenWYRBITQX 96 InChI=1/C2606-86-0 62298O=CN(c1ccccc1)c2ccccc2 Formamide,DCNUQRBL 73.5 InChI=1/C1607-00-1 62300[O-][N+](=O)c2cccc1cnccc12 5-Nitro iso PYGMPFQC 110 InChI=1/C9607-32-9 62303O=C(Nc2cccc1ccccc12)Nc4ccUrea, N,N'-OAXACVUB 296 InChI=1/C2607-56-7 62305Oc1cc(C)nc2ccccc12 4-Hydroxy-NWINIEGD 234 InChI=1/C1607-67-0 62307Oc1ccccc1C(=O)OCCC BENZOIC ALZFIOSVZ 97 InChI=1/C1607-90-9 62310Cc1cccc(C)c1I Benzene, 2QTUGGVBK 11.2 InChI=1/C8608-28-6 62314Cc1c(O)ccc(O)c1C 1,4-BENZENBXJGUBZT 224 InChI=1/C8608-43-5 62317O=C(C(=O)OCC)C(=O)OCC PropanedioiDBKKFIIYQ -30 InChI=1/C7609-09-6 62322O=C(Cl)c1ccccc1Cl Benzoyl chlONIKNECP -4 InChI=1/C7609-65-4 62327O=C(N)c1ccccc1Cl 2-CHLORO RBGDLYUE 143 InChI=1/C7609-66-5 62328Ic1ccccc1[N+](=O)[O-] Benzene, 1-JXMZUNPW 54 InChI=1/C6609-73-4 62332CN(C)c1ccccc1C(=O)O Benzoic aciDVVXXHVH 72 InChI=1/C9610-16-2 62335O=[N+]([O-])c1ccccc1C(=O)OEthyl 2-ni CPNMAYYY 30 InChI=1/C9610-34-4 62340OC(=O)c1ccc(N)cc1N BENZOIC ACLDQMZKBI 140 InChI=1/C7611-03-0 62350Clc1cccc2cccnc12 8-CHLORO RUSMDMDN -20 InChI=1/C9611-33-6 62355Clc1ccnc2ccccc12 4-ChloroquKNDOFJFS 34.5 InChI=1/C9611-35-8 62356Oc1ccnc2ccccc12 4-HydroxyqPMZDQRJG 201 InChI=1/C9611-36-9 62357O=C(C(C)C)c1ccccc1 1-PROPANOBSMGLVDZ -1.3 InChI=1/C1611-70-1 62359O=C(c1cc(N)ccc1)c2cccc(N)c 3,3'-Diami TUQQUUXM 173.5 InChI=1/C1611-79-0 62360COc1ccc(cc1)C(=O)c2ccccc2 METHANONESWFHGTML 61.5 InChI=1/C1611-94-9 62361OC(=O)c1ccc(cc1)C(=O)c2cccBENZOIC ACIFQUPKAIS 199 InChI=1/C1611-95-0 62362Cc1ccc(cc1)C(=O)c2ccc(C)cc2Methanone,ZWPWLKXZ 96.5 InChI=1/C1611-97-2 62363O=C(c1ccc(O)cc1)c2ccc(O)cc 4,4'-Dihyd RXNYJUSE 210 InChI=1/C1611-99-4 62365ClCc1ccccc1C#N 2-CyanobenZSHNOXOG 61 InChI=1/C8612-13-5 62367c1ccc2CC=CCc2c1 NaphthalenFUPIVZHYV 25 InChI=1/C1612-17-9 62370CNc1ccccc1[N+]([O-])=O N-METHYL-KFBOUJZFF 38 InChI=1/C7612-28-2 62372Clc1ccc2ncccc2c1 6-CHLORO GKJSZXGY 43.8 InChI=1/C9612-57-7 62378Oc1cc(ccc1)c2cc(O)ccc2 3,3'-DIHY VZQSBJKD 124.8 InChI=1/C1612-76-0 62380c1cccc2ccc(cc12)c3cc4ccccc42,2'-BINA MSBVBOUO 188.3 InChI=1/C2612-78-2 62381c1cc(cc2cccnc12)c3ccccc3 6-PhenylquOKLKICXAG 110 InChI=1/C1612-95-3 62383O=C(C)Oc1cc(ccc1OC(C)=O)O1,2,4-BenzeAESFGSJW 99 InChI=1/C1613-03-6 62384c1cc(ccc1)N2CCN(CC2)c3cccc1,4-DiphenLLZRSOPHI 165 InChI=1/C1613-39-8 62388

c1ccccc1Cc2ccc(cc2)c3ccccc34-BENZYLBAGPLQTQFI 85 InChI=1/C1613-42-3 62389COc1cc(ccc1C=O)OC 2,4-DIME LWRSYTXE 72 InChI=1/C9613-45-6 62390

LIDE, DR ET AL.BrC(Br)(Br)c1ccc2ccccc2n1 Quinoline, UDYYQHIL 128 InChI=1/C1613-53-6 62393O=C(C)OC(OC(C)=O)c1ccco1 MethanediolNHOCEIKF 53.3 InChI=1/C9613-75-2 62396Oc3ccccc3C(=O)Oc1cc2cccccBENZOIC AZBJVLWIY 95.5 InChI=1/C1613-78-5 62397c3cccc4ccc(Oc1cc2ccccc2cc1Bis(2-naphDZRLNYVD 105 InChI=1/C2613-80-9 62398O=Cc1cc(C)ccc1O BenzaldehyILEIUTCV 56 InChI=1/C8613-84-3 62399O=C(OCC)c1cccnc1 NICOTINIC XBLVHTDFJ 8.5 InChI=1/C8614-18-6 62402O=C(OCc1ccco1)c2ccco2 Furan-2-carRRYLJIZZS 27.5 InChI=1/C1615-11-2 62416O=C(CC(C)=O)C(=O)OCC 2,4-Dioxo-pOYQVQWIA 18 InChI=1/C7615-79-2 62421O=C(NCC)C(=O)NCC N,N'-Dieth FFYAVOJI 175 InChI=1/C6615-84-9 62423O=C(OCCC)C(=O)OCCC Oxalic acidHZHMMLIM -44.3 InChI=1/C8615-98-5 62427CCC(S)CC 3-PENTANEWICKAMSP -110.8 InChI=1/C5616-31-9 62433CC(C)(C)c1cc(cc(C)c1O)C(C)(CPhenol, 2,4ZZZRZBIP 51 InChI=1/C1616-55-7 62437Cc2ccccc2OC(=O)Oc1ccccc1CBis(2-methPOZGCGJF 60 InChI=1/C1617-09-4 62446COC(=O)C(=C)CC(=O)OC BUTANEDIOZWWQRMFI 38 InChI=1/C7617-52-7 62453C=C(Cl)c1ccccc1 BENZENE, XHAFIUUY -23 InChI=1/C8618-34-8 62463Cc1cccc(c1)C(=O)N 3-METHYL WGRPQCFF 95 InChI=1/C8618-47-3 62466O=[N+]([O-])c1cc(cc(c1)[N+] 3,5-DinitroIBQREHJP 94 InChI=1/C9618-71-3 62468OC(=O)c1cc(cc(O)c1)C(=O)O 5-HydroxyiQNVNLUSH 293 InChI=1/C8618-83-7 62470Ic1cc(ccc1)C(=O)OC Benzoic aciNPXOIGSB 54.5 InChI=1/C8618-91-7 62471O=[N+]([O-])c1cc(ccc1)C(=O)BENZOIC ACAXLYJLKKP 78 InChI=1/C8618-95-1 62472O=[N+]([O-])c1ccc(cc1O)C(= 3-HYDROXYXLDLRRGZ 230 InChI=1/C7619-14-7 62477O=[N+]([O-])c1cc(CO)ccc1 M-NITROBECWNPOQFC 30.5 InChI=1/C7619-25-0 62479O=C(O)C(CCCCCCCC)CCCCCCDecanoic acOYYXZGFIZ 38.5 InChI=1/C1619-39-6 62482Cc1ccc(cc1)C(=O)CBr 4-MethylphKRVGXFRE 51 InChI=1/C9619-41-0 62483Ic1ccc(cc1)C(=O)OC Benzoic aciDYUWQWMX 114.8 InChI=1/C8619-44-3 62484Cc1ccc(cc1)C(=O)N 4-METHYL UHBGYFCC 162 InChI=1/C8619-55-6 62485O=[N+]([O-])c1ccc(CO)cc1 P-NITROBEJKTYGPAT 96.5 InChI=1/C7619-73-8 62486[O-][N+](=O)OC(CO)CO GLYCEROL-QYZBMMOL 54 InChI=1/C3620-12-2 62491O=S(=O)(Cc1ccccc1)Cc2cccccDibenzylsuAWHNUHM 152 InChI=1/C1620-32-6 62493O=C(Nc1ccccc1)C(=O)Nc2cccEthanediamFTWUXYZH 254 InChI=1/C1620-81-5 62499O=C(OC1CCCCC1)C(=O)OC2COxalic acidYJZRTAHD 43.5 InChI=1/C1620-82-6 62500Cc2ccc(Cc1ccccc1)cc2 BENZENE, SIYISNUJK -30 InChI=1/C1620-83-7 62501Cc2ccc(Cc1ccccc1)cc2 P-TOLYLTOSIYISNUJK 125 InChI=1/C1613-33-2 62501CCc2ccc(Cc1ccccc1)cc2 4-ETHYL-D HSHDPVRG -24 InChI=1/C1620-85-9 62502Cc1ccc(cc1)Nc2ccc(C)cc2 BenzenaminRHPVVNRN 79.8 InChI=1/C1620-93-9 62504Cc1ccc(cc1)Sc2ccc(C)cc2 Di(4-methyNRXWFTYE 57.3 InChI=1/C1620-94-0 62505O=C(Oc1ccccc1)CCC(=O)Oc2cButanedioicYDPPRPIIZ 121 InChI=1/C1621-14-7 62511Oc1cc(CCC)ccc1 3-PropylphMPWGZBWD 26 InChI=1/C9621-27-2 62513CCOc1cccc(c1)[N+]([O-])=O 3-EthoxyniLFOLBPDH 36 InChI=1/C8621-52-3 62519NC(=O)COc1ccccc1 PHENOXYAAOPRXJXH 102 InChI=1/C8621-88-5 62524N#N=N\c1ccccc1 PhenylazidCTRLRINCM -27.5 InChI=1/C6622-37-7 62529CCCc1ccccn1 Pyridine, 2OIALIKXML 2 InChI=1/C8622-39-9 62530O=C(N)Oc1ccccc1 O-PHENYL BSCCSDNZE 150 InChI=1/C7622-46-8 62532

Cc1ccc(NO)cc1 BenzenaminAGJOAIMU 96 InChI=1/C7623-10-9 62542CC(=O)NC(=O)NC ACETAMIDEXRVHSOXX 180.5 InChI=1/C4623-59-6 62546O=C(CCCCCCCCCCCCCCC)OC(HexadecanoQWZBEFCP 64 InChI=1/C3623-65-4 62548O=C(CCCCCCC)OC(=O)CCCCCOctanoic aRAFYDKXY -1 InChI=1/C1623-66-5 62549CCCNC(=O)NCCC N,N'-DiproAWHORBWD 105 InChI=1/C7623-95-0 62552ClCCOC(=O)OCCCl Ethanol, 2-WQULVXNW 8 InChI=1/C5623-97-2 62554O=C(CCCCCCCCCCCCCCC)OC HEXADECANIKVCSHRL 72 InChI=1/C3624-03-3 62556O=C(CCCCCCCCCCC)OCCOC(=Dodecanoic ZVUNTIMP 56.6 InChI=1/C2624-04-4 62557CCCCCCCOC(=O)CCCCCC HEPTANOICQOIIBPAJ -33 InChI=1/C1624-09-9 62559O=C(CCCCCCC)OCCC Octanoic acIDHBLVYD -46.2 InChI=1/C1624-13-5 62560CC(C)C[N+]([O-])=O ISONITRO XFXRMDNW -76.85 InChI=1/C4625-74-1 62576Ic1ccc(I)s1 2,5-Diiodo PNYWRAHW 41.5 InChI=1/C4625-88-7 62577Brc1cncc(Br)c1 3,5-DIBRO SOSPMXME 112 InChI=1/C5625-92-3 62578BrCc1cccc(CBr)c1 Benzene, 1OXHOPZLB 77 InChI=1/C8626-15-3 62581OCc1cccc(CO)c1 1,3-BenzenYWMLORGQ 57 InChI=1/C8626-18-6 62582

ALDRICH (2000N#CCc1cccc(c1)CC#N Acetonitril GRPFZJNUY 33.5 InChI=1/C1626-22-2 62583O=C(CCCCCC)OC(=O)CCCCCCHeptanoic DAPZDAPT -12.4 InChI=1/C1626-27-7 62584O=C(CCCCCCCCCCCCC)OC(=OTetradecanRCRYHUPT 53.4 InChI=1/C2626-29-9 62585NC(=O)NC(=O)OCC Carbamic acPIHPSKJRL 196.5 InChI=1/C4626-36-8 62588O=C(O)CSCC Acetic acid,VJIKFWJCV -8.5 InChI=1/C4627-04-3 62595CC(C)CC[N+]([O-])=O 2-Methyl-4FEJLPMVSV 97 InChI=1/C5627-67-8 62604CC(C)CCOC(=O)CCCCCCCCCCOctadecanoWDQOEAOL 25.5 InChI=1/C2627-88-3 62605C#CCCC#C 1,5-HexadiYFIBSNDO -6 InChI=1/C6628-16-0 62610O=C(C)OCCCCOC(C)=O 1,4-ButanedXUKSWKGO 12 InChI=1/C8628-67-1 62618O=C(C)OCCOCCOC(C)=O Ethanol, 2,UBPGILLN 18 InChI=1/C8628-68-2 62619

Aldrich (1998) N#CCNCC#N Acetonitril BSRDNMML 70 InChI=1/C4628-87-5 62621NC(=O)CCCCCCC OctanamidLTHCSWBW 108 InChI=1/C8629-01-6 62622N#CSCCSC#N Thiocyanic LILPOSVDS 90 InChI=1/C4629-17-4 62624CCC(=O)CCCCCCCCCCC 3-TETRAD OCHYRSKM 34 InChI=1/C1629-23-2 62626OCCCCCCCCO 1,8-OCTANOEIJHBUUF 63 InChI=1/C8629-41-4 62628NC(=O)CCCCCCCCCCCCCCC HexadecanHSEMFIZW 107 InChI=1/C1629-54-9 62629CCCCCCCSCCCCCCC Heptane, 1,LEMIDOZYV 70 InChI=1/C1629-65-2 62630CC(=O)CCCCCCCCCCCCCCCCC2-NONADEIEDKVDCIE 57 InChI=1/C1629-66-3 62631CCCCCCCCCCCCCCCC#N HexadecaneWGXGAUQE 31 InChI=1/C1629-79-8 62632CCCCCCCCCCCCCCCCC#C Octadec-1-IYDNQWWO 22.5 InChI=1/C1629-89-0 62633BrC(Cl)(Cl)C(Br)(Cl)Cl 1,2-DibromWJUKOGPN 202.5 InChI=1/C2630-25-1 62634O=S(=O)(Nc1cc(C)ns1)c2ccc( SULFASOMJVYKJZPZF 192 InChI=1/C1632-00-8 62641c1ccccc1C(=C(\c2ccccc2)c3ccBenzene, 1,JLZUZNKTT 225 InChI=1/C2632-51-9 62645Oc3ccc2c(C(=O)c1ccc(O)c(O 1,2,5,6-Te UIAOMKQP 340 InChI=1/C1632-77-9 62648O=C1OC(=O)c2c1c(I)c(I)c(I)c21,3-IsobenzUHIMKEGZ 327.5 InChI=1/C8632-80-4 62649Cc1c(cc(c(C)c1[N+](=O)[O-])[ 1,3-DimethyGGGVOOMK 184 InChI=1/C8632-92-8 62650Cc1cc(Cl)nc2ccccc12 2-Chloro-4PFEIMKNQ 59 InChI=1/C1634-47-9 62656COC(=O)c1cc(c(cc1C(=O)OC) 1,2,4,5-B QVEIFJBU 144 InChI=1/C1635-10-9 62662CC(C)c1cc(c(cc1C(C)C)C(C)C)CBENZENE, 1ROXLYQQDL 118.4 InChI=1/C1635-11-0 62663Clc1cccc2ncccc12 5-ChloroquHJSRGOVA 45 InChI=1/C9635-27-8 62665

c1ccc2NCCCc2c1 1,2,3,4-T LBUJPTNKI 20 InChI=1/C9635-46-1 62667Lide, DR ET AL O=C(O)c1ccccc1OCC(=O)O Benzoic ac JLLXSRLEX 191 InChI=1/C9635-53-0 62668

O=C(O)C=1CCCCC=1 1-CYCLOHENMEZJSDU 38 InChI=1/C7636-82-8 62677O=C(Oc1ccccc1)CCCCCCCCC OctadecanoiNUMNZKIC 52 InChI=1/C2637-55-8 62684O=C(CCl)CC(=O)OCC Butanoic acOHLRLMWU -8 InChI=1/C6638-07-3 62690O=C(CCCCCCCCCCCCCCCCC)OOctadecanoWVJVHUWV 72 InChI=1/C3638-08-4 62691CC(=O)NC(=O)NC(=O)C 1,3-DIACE UJQLDFMZ 154.5 InChI=1/C5638-20-0 62693NC(=O)CCCCCCCCCCCCC Tetradeca QEALYLRS 104 InChI=1/C1638-58-4 62698ClC(I)I chlorodiio RYPFDEIV -4 InChI=1/CH638-73-3 62699FC(F)(C(F)(F)C(F)(F)I)C(F)(F)C(Pentane, uKCEJJSGJN -50 InChI=1/C5638-79-9 62700Cc2cccc1c2ccc(C)c1C 1,2,5-Trim KTDQNLID 33.5 InChI=1/C1641-91-8 62707Clc2ccc(NC(=O)c1cc(Cl)ccc1O3',4',5-Tric RSJBLPJK 247 InChI=1/C1642-84-2 62712Oc2c(OC)c(cc1CCNCc12)OC 1,2,3,4-T DVQVXTPSJ 187.5 InChI=1/C1643-60-7 62716NC(CCCCCC)C(=O)O Octanoic acAKVBCGQV 270 InChI=1/C8644-90-6 62727O=C(CCCCCCCCCCC)OC(=O)CDodecanoicNWADXBL 41.8 InChI=1/C2645-66-9 62731O=C(CCC(=O)OCCCCC)OCCCCSuccinic acJYCRKSLWS -10.8 InChI=1/C1645-69-2 62732NCCCCCCCN 1,7-DiaminPWSKHLMY 28.9 InChI=1/C7646-19-5 62737

MSDS FC(F)(C(F)(F)CCO)C(F)(F)C(F)(F6-2 FTOH GRJRKPMI -35 InChI=1/C8647-42-7 62741Fc1c(c(c(F)c(F)c1F)C(=O)O)C TetrafluoroYJLVXRPN 163 InChI=1/C8652-03-9 62748O=C1OC(=O)c2c1c(F)c(F)c(F) Tetrafluor BJDDKZDZT 95 InChI=1/C8652-12-0 62749Fc1c(c(F)c(F)c(F)c1F)C(C)=O Pentafluo FBGHCYZB 130.5 InChI=1/C8652-29-9 62750Fc1c(c(F)c(F)c(F)c1F)C(N)=O 2,3,4,5,6- WPWWHXPR 147 InChI=1/C7652-31-3 62751Cc1c(F)c(F)c(C(=O)O)c(F)c1F BENZOIC ACOOULIOY 174 InChI=1/C8652-32-4 62752Fc1c(F)cc(F)c(F)c1NN 2,3,5,6-TetTYMFVEOX 92 InChI=1/C6653-11-2 62756Fc1c(CC(=O)O)c(F)c(F)c(F)c1FPentafluorLGCODSNZ 109 InChI=1/C8653-21-4 62757Nc1ccc(N=O)cc1 4-NITROS SALQMMXS 173.5 InChI=1/C6659-49-4 62778c1ccc(cc1)c2nccn2 1H-IMIDAZZCUJYXPA 149.3 InChI=1/C9670-96-2 62795O=S(N)(=O)c1cc(ccc1Cl)S(N) Clofenami NENBAISI 207 InChI=1/C6671-95-4 62797

Ellison,DH (20 CP(F)(F)=O MethylphosPQIOSYKV -37.2 InChI=1/CH676-99-3 62813FC(Cl)(F)C(Cl)(Cl)C(Cl)(F)F 1,2,2,3-tet LVULLLDM -42.9 InChI=1/C3677-68-9 62818

MSDS FC(F)(C(F)(F)CCO)C(F)(F)C(F)(F8-2 FTOH JJUBFBTU 47 InChI=1/C1678-39-7 62822FCC(F)(F)C(F)F HFC-245 (pAWTOFSDL -82 InChI=1/C3679-86-7 62827BrCC(N)=O BROMOACEJUIKUQOU 89 InChI=1/C2683-57-8 62834F/C(F)=C(\F)C(\F)=C(/F)F 1,3-ButadieLGPPATCN -132 InChI=1/C4685-63-2 62837O=C(OCC)C(Br)C(=O)OCC PropanedioiFNJVDWXU -54 InChI=1/C7685-87-0 62838FC(F)(F)C#CC(F)(F)F 2-Butyne, 1WBCLXFID -117.4 InChI=1/C4692-50-2 62855FC1(F)OC1(F)F Tetrafluor LOUICXNA -118 InChI=1/C2694-17-7 62865CC(C)c1ccncc1 Pyridine, 4FRGXNJWE -54.9 InChI=1/C8696-30-0 62875Ic1ccc(OC)cc1 Benzene, 1SYSZENVIJ 53 InChI=1/C7696-62-8 62877O=C(N)c1ccc(Br)cc1 4-BROMOBZRWNRAJC 191.5 InChI=1/C7698-67-9 62884O=C(O)CCC1CCCCC1 CyclohexanHJZLEGIHU 16 InChI=1/C9701-97-3 62903O=C(c1sccc1)c2cccs2 Di-thiopheGUTQMBQK 90 InChI=1/C9704-38-1 62914COc1cc(cc(O)c1C=O)OC 2,4-DIMETFQRQWPNY 70 InChI=1/C9708-76-9 62925COc1cc(ccc1OC)[N+]([O-])=OBenzene, 1YFWBUVZW 98 InChI=1/C8709-09-1 62928FC(F)(F)c1ccc(cc1)C(C)=O 4-TRIFLU HHAISVSEJ 31 InChI=1/C9709-63-7 62931

CC(=O)c2ccc1ccccc1c2O Ethanone, JBGJVMVW 101 InChI=1/C1711-79-5 62933OCCOc2cccc1ccccc12 ETHANOL, HCWJMLZC 45 InChI=1/C1711-82-0 62934Cc2ccccc2Cc1ccccc1 Benzene, 1PQTAUFTU 6.6 InChI=1/C1713-36-0 62938CCCC(c1ccccc1)c2ccccc2 Benzene, 1,SZFDQMKA 27 InChI=1/C1719-79-9 62952S=C(SC(=S)N1CCCCC1)N2CCCDipentametPFOWLPUJ 110 InChI=1/C1725-32-6 62961Cc2ccc(/N=C=N\c1ccc(C)cc1)Di-p-tolyl- BOSWPVRA 58.5 InChI=1/C1726-42-1 62962FC(F)(F)c2ccccc2C(=O)c1cccc2-(Trifluo JXIWJBWM 61 InChI=1/C1727-99-1 62963FC(F)(F)c1cccc(c1)C(=O)c2ccc3-(Trifluo IOXDAYKK 52.5 InChI=1/C1728-81-4 62965FC(F)(F)c1ccc(cc1)C(=O)c2ccc4-(Trifluo OHTYZZYA 115 InChI=1/C1728-86-9 62966

ALDRICH (2000O=[N+]([O-])c2ccc(CCc1ccc(cBenzene, 1,BSNKHEKT 181 InChI=1/C1736-30-1 62975O=C(C#CC(=O)OCC)OCC 2-BUTYNEDISTRNXFOUB 1.5 InChI=1/C8762-21-0 63002ClC(=O)CCCCCCCC Nonanoyl cNTQYXUJLI -60.5 InChI=1/C9764-85-2 63017CCCCCCCCCCC#C 1-DodecynZVDBUOGY -19 InChI=1/C1765-03-7 63019C#CCCCCCCCCCCCCC 1-Pentade DONJGKADZ 10 InChI=1/C1765-13-9 63022NC1CC1 CYCLOPROHTJDQJBW -35.4 InChI=1/C3765-30-0 63025CC=1CCCC=1C 1,2-DimethSZZWLAZA -90.4 InChI=1/C7765-47-9 63026

ALDRICH (2000N#CC1CCCCC1 CyclohexanVBWIZSYF 11 InChI=1/C7766-05-2 63031OOC1CCCCC1 CyclohexylFGGJBCRK -20 InChI=1/C6766-07-4 63032

ALDRICH (2000Nc1cccc2nsnc12 4-AminobenDRLGIZIA 68 InChI=1/C6767-64-6 63042Cc1cccc(C)c1N(C)C BenzenaminSCVRZFQSP -36 InChI=1/C1769-06-2 63049

Aldrich (1998) N#Cc1c(C)cc(C)nc1O NicotinonitOCYMJCIL 286 InChI=1/C8769-28-8 63052Fc1cc(F)c(F)c(O)c1F 2,3,5,6-T PBYIIRLN 38 InChI=1/C6769-39-1 63054CC(C)(C)c1ccc(N)cc1 BENZENAMIWRDWWAV 17 InChI=1/C1769-92-6 63057OOC2CCCc1ccccc12 1,2,3,4-Te YWBMNCRJ 56 InChI=1/C126447-24-5 63062O=C(O)c2cnc1ccccc12 INDOLE, 3 KMAKOBLI 206.5 InChI=1/C9771-50-6 63063Nc1cc2ccccc2cc1N 2,3-NAPHTXTBLDMQM 199 InChI=1/C1771-97-1 63067c1cc(ccc1)C2CCNCC2 PIPERIDINEUTBULQCH 60.5 InChI=1/C1771-99-3 63068c1cc(ccc1)C2OCCCO2 1,3-DioxanLNEMDIUS 41 InChI=1/C1772-01-0 63069Fc1c(C#N)c(F)c(F)c(F)c1F BenzonitrilYXWJGZQO 2.4 InChI=1/C7773-82-0 63077O=C(c1ccccc1)N2CCCCC2 PIPERIDINEYXTROGRG 49 InChI=1/C1776-75-0 63087O=C(C)C(c1ccccc1)c2ccccc2 2-PropanonDBNWBEGC 46 InChI=1/C1781-35-1 63102O=C(O)c2ccc3c1ccccc1C(=O) 9-Oxo-9H-fBJCTXUUK 341 InChI=1/C1784-50-9 63108

Kirk-Othmer c1ccccc1[SiH](c2ccccc2)c3cc Silane, tri AKQNYQDS 42.4 InChI=1/C1789-25-3 63117CRC O[Si](c1ccccc1)(c2ccccc2)c3cSilanol, tri NLSXASID 154.8 InChI=1/C1791-31-1 63119ALDRICH (2000COc1ccc(cc1)C(=O)OC(=O)c2cp-Anisic a YGMHIBLU 94.5 InChI=1/C1794-94-5 63122

ClCC(Cl)(Cl)F 1,1,2-trich ZKVMMSGR -140 InChI=1/C2811-95-0 63131ClS(=O)(=O)OC ChlorosulfuKNVLCWQK -70 InChI=1/CH812-01-1 63132BrCC(=O)CBr 2-PropanonLQQKDSXC 26 InChI=1/C3816-39-7 63145CC(=O)OCCCCCCCCCCCCCCC Acetic acidOIZXRZCQJ 34.5 InChI=1/C2822-23-1 63160C=COCCCCCCCCCCCCCCCC HexadecaneUKDKWYQG 16 InChI=1/C1822-28-6 63163[O-][N+](=O)c1ccsc1 3-NITROTHSIPCFXFCV 78.5 InChI=1/C4822-84-4 63166Oc1ccc(O)cc1OC 1,4-BENZE LAQYHRQF 90 InChI=1/C7824-46-4 63180ClP(=O)(Cl)c1ccccc1 Phosphonic IBDMRHDX 1 InChI=1/C6824-72-6 63182COc1ccc(CCl)cc1 4-MethoxybMOHYOXXO 24.5 InChI=1/C8824-94-2 63185Cc1ccc2nccc(C)c2c1 2,6-DimethJTLZWQVU 22 InChI=1/C1826-77-7 63197

c1cccc2oc(nc12)c3ccccc3 BENZOXAZOFIISKTXZU 103 InChI=1/C1833-50-1 63220O=C(c1ccccc1O)c2ccccc2O METHANONEYIYBRXKM 59.5 InChI=1/C1835-11-0 63228CN=O FORMAMIDIMHRONYA 2.5 InChI=1/C 75-17-2 63264FC(C(F)(F)C(F)(F)F)(C(F)(F)C(FUndecafluoGXSFAIDPY -115 InChI=1/C6865-71-4 63270c1ccccc1C2CC2 CYCLOPROVFSFCYAQB -31 InChI=1/C9873-49-4 63300CN1C(=O)C=CN(C)C1=O 2,4(1H,3H)JSDBKAHW 120 InChI=1/C6874-14-6 63310Cc2cn(C)c1ccccc12 1H-INDOLE,NAPPMSNS 142 InChI=1/C1875-30-9 63318Nc1ccc(Br)cc1[N+]([O-])=O BenzenaminZCWBZRBJ 111.5 InChI=1/C6875-51-4 63320Cc1c(Cl)c(C)c(Cl)c(Cl)c1Cl 1,3-DimethNTUBJKOT 223 InChI=1/C8877-09-8 63327Oc1c(cccc1OC)C(=O)O 3-METHOXYAUZQQIPZ 151 InChI=1/C8877-22-5 63328Cc1cc(cc(C)c1O)C(C)(C)C Phenol, 4-(MEPYMUOZ 82.4 InChI=1/C1879-97-0 63338[O-][N+](=O)c2ccc(C)c1ccccc 1-METHYL-FRLVKAJK 71.5 InChI=1/C1880-93-3 63342O=C(OC)c1cc2ccccc2cc1O 2-NaphthalYVVBECLP 75.5 InChI=1/C1883-99-8 63350

LIDE,DR ET AL.O=C(CCN1CCCCC1)c2ccccc2 1-PropanoneBIBARRYXK 211.5 InChI=1/C1886-06-6 63359CC(C)(C)C(C)(C)Cl 2-Chloro-2IFMWWVGV 136 InChI=1/C7918-07-0 63378

ALDRICH (2000C=C(C)C(=O)NCO N-methyloDNTMQTKD -37 InChI=1/C5923-02-4 63394CC(C)(C)OC=C Propane, 2PGYJSURP -112 InChI=1/C6926-02-3 63406

ALDRICH (2000S=C1SC=CS1 1,3-Dithiol WYKJWNVW 49 InChI=1/C3930-35-8 63439O=C1C=CC(=O)C1 4-CyclopenMCFZBCCY 37 InChI=1/C5930-60-9 63443

LIDE,DR ET AL.Cc1cnc(C)n1 2,4-DimethLLPKQRMD 92 InChI=1/C5930-62-1 63444LIDE,DR ET AL.O=C1C=CC(=O)N1C Maleimide,SEEYREPS 95 InChI=1/C5930-88-1 63446ALDRICH (2000Cc1cnc(CC)n1 1H-ImidazoULKLGIFJW 50.5 InChI=1/C6931-36-2 63447

O=C1NC(=O)C(C)=NN1 6-AZATHY XZWMZFQO 211 InChI=1/C4932-53-6 63453CC(=O)OC1CCCC1 CYCLOPENTYFPCLQKF 13.5 InChI=1/C71123-00-8 63457Cc1cccc2ccnc12 7-METHYLIKGWPHCDT 85 InChI=1/C9933-67-5 63459Oc1cccnc1C(=O)N 2-PYRIDIN VIHUZJYF 195 InChI=1/C6933-90-4 63461OC(=O)CCc1ccco1 3-Furan-2-yXLTJXJJMU 58 InChI=1/C7935-13-7 63470COc1cccc2cccnc12 8-METHOXZLKGGEBO 49.5 InChI=1/C1938-33-0 63493O=C(CC)c1cc(C)ccc1O 1-PropanonCXZJBPYD 2 InChI=1/C1938-45-4 63494

LIDE,DR ET AL.O=C(CC)c1cc(O)ccc1O PropiophenCFQYIIXIH 96.5 InChI=1/C9938-46-5 63495BrCc1ccc2ccccc2c1 (2-Naphth RUHJZSZTS 56 InChI=1/C1939-26-4 63503O=C(CCC)c1ccc(Cl)cc1 (4-ChloropXLCJPQYAL 19.5 InChI=1/C1939-52-6 63504O=C(O)COc1ccc(C)cc1 P-METHYLPSFTDDFBJ 141 InChI=1/C9940-64-7 63512Clc1cc2C(=O)OC(=O)c2cc1Cl 5,6-Dichlo ULSOWUBM 188 InChI=1/C8942-06-3 63515CC1=CC(=O)N(N1)c2ccccc2 5-Methyl-2KZQYIMCE 128 InChI=1/C119735-89-8 63516O=C(CCCCC)c1ccccc1 1-HexanoneMAHPVQDV 27 InChI=1/C1942-92-7 63518

LIDE,DR ET AL.CC(C)(Oc1ccccc1)C(=O)O PhenoxyisoILPUOPPYS 98.5 InChI=1/C1943-45-3 63524C(Oc1ccccc1)c2ccccc2 BENZYL PHBOTNYLSA 40 InChI=1/C1946-80-5 63533OC(=O)c2ccccc2c1ccccc1 [1,1'-BIPH ILYSAKHOY 114.3 InChI=1/C1947-84-2 63538O=C(NCN1CCOCC1)c2cnccn2PORPHAZI GVTLAVKA 118.5 InChI=1/C1952-54-5 63555c1ccc(cc1)c2ccc(o2)c3ccccc3Furan, 2,5-VUPDHIIPA 91 InChI=1/C1955-83-9 63567CN(C)CCCN2c1ccccc1S(=O)c3cOPROMAZIQEPPAOXK 115 InChI=1/C1969-99-3 63592

CRC C[SiH3] SILANE, M UIUXUFNY -156.5 InChI=1/CH992-94-9 63613CRC HandbookC[SiH](C)C SILANE, TRPQDJYEQO -135.9 InChI=1/C3993-07-7 63614ALDRICH (2000C[Si](C)(C)\N=C=N/[Si](C)(C)CSilanamineKSVMTHKY -23 InChI=1/C71000-70-0 63651

CC1=CC=CNC1=O 2(1H)-PYR MVKDNXIK 141.5 InChI=1/C61003-56-1 63658CC1CC(C)CS1(=O)=O 2,4-DimethWKFQMDFS -3 InChI=1/C61003-78-7 63660Cc1nc(C)c(C)c1C 1H-PYRROLBDXJANJA 111 InChI=1/C81003-90-3 63661O=C1CCCCC1C(C)C CYCLOHEXASDJUYPUX 72.5 InChI=1/C91004-77-9 63664CCCCN1CCOCC1 MorpholineLMRKVKPR -57.1 InChI=1/C81005-67-0 63672

LIDE,DR ET AL.OCCc1ccc2ccccc2n1 2-QuinolinVPDAGUVE 103 InChI=1/C11011-50-3 63703O=C(c1cc(Br)ccc1)c2ccccc2 3-BromopheXNUMUNIJ 81 InChI=1/C11016-77-9 63718O=C2c1n(C)cnc1N(C)C(=O)N 1-HEXYL-3 MRWQRJME 82.5 InChI=1/C11028-33-7 63738Fc2c(Sc1c(F)c(F)c(F)c(F)c1F)cPentafluorZOUZMRQI 87 InChI=1/C11043-50-1 63755

ALDRICH (2000c1cc(ccc1)c2nnc(nc2c3ccccc 3-(2-PyridyOTMYLOBW 192 InChI=1/C21046-56-6 63757OC(=O)CCC(=O)OCC ButanedioiLOLKAJARZ 8 InChI=1/C61070-34-4 63778CCCCCC[SiH3] Hexyl silanQGGUMTNP -98 InChI=1/C61072-14-6 63785O=CCCCCC=O HexanedialUMHJEEQL -8 InChI=1/C61072-21-5 63788C#CC(C)(C)Cl 1-Butyne, QSILYWCN -61 InChI=1/C51111-97-3 63845CC(C)/C(=N\O)C(C)C 2,4-DimethPULCKIYK 34 InChI=1/C71113-74-2 63851CC(C)CB(CC(C)C)CC(C)C TriisobutylXDSSGQHO -88 InChI=1/C11116-39-8 63857O=C(CCCC)OCCCCCC Pentanoic aYERFHJZY -63.1 InChI=1/C11117-59-5 63860O=C(C)CC(=O)OCC=C BUTANOIC AXLMPTNT -85 InChI=1/C71118-84-9 63867C=CCCCCC(=O)O Hept-6-enoRWNJOXUV -6.5 InChI=1/C71119-60-4 63871NC(=O)CCCCCCCC NONANAMIGHLZUHZB 99.5 InChI=1/C91120-07-6 63875

LIDE, DR ET AL.Nc1nccnn1 3-Amino-1,2MJIWQHRX 175.5 InChI=1/C31120-99-6 63880O=C1CCC(=O)N1C N-METHYLSKYEACNNY 71 InChI=1/C51121-07-9 63882Oc1ccccc1S O-MERCAPVMKYTRPN 5.5 InChI=1/C61121-24-0 63883

LIDE,DR ET AL.O=C1CCCC(=O)N1 GlutarimidKNCYXPMJ 156 InChI=1/C51121-89-7 63891O=Cc1ccc(Br)cc1 BenzaldehyZRYZBQLX 67 InChI=1/C71122-91-4 63906

ALDRICH (2000OC(=O)C1(C)CCCCC1 1-MethylcyREHQLKUN 37.5 InChI=1/C81123-25-7 63909Cc1cc(O)c(Cl)cc1Cl 2,4-Dichlo NDCNJVOX 73 InChI=1/C71124-07-8 63922Nc2cccc1cnccc12 5-ISOQUINDTVYNUOO 128 InChI=1/C91125-60-6 63931Cc1ccn(n1)c2ccccc2 3-Methyl-1RJXLUGSJ 37 InChI=1/C11128-54-7 63948Nc2cc(C)nn2c1ccccc1 1H-PyrazolFMKMKBLH 116 InChI=1/C11131-18-6 63966O=C(O)c1ccc2CCCCc2c1 5,6,7,8-Te RSWXAGBB 155.5 InChI=1/C11131-63-1 63969O=S(=O)(O)CCCN1CCOCC1 MOPS DVLFYONB 284 InChI=1/C71132-61-2 63972O=S(=O)(O)CCCNC1CCCCC1 CAPS PJWWRFAT 302.5 InChI=1/C91135-40-6 63979O=C2c1n(C)cnc1N(C)C(=O)N 1-Butyl Th ZCUPBJOZM 108 InChI=1/C11143-30-2 63999O=[N+]([O-])c1ccc(cc1)C(=O)Methanone,ZYMCBJWU 138 InChI=1/C11144-74-7 64003CC(C)C2(Cc1ccco1)C(=O)NC( 5-Furfuryl-GPMGSASP 169 InChI=1/C11146-21-0 64008Clc1ccc(cc1)C3C(=O)c2ccccc 1H-INDENENJDUWAXI 145.5 InChI=1/C11146-99-2 64010c1nc(ccc1)c2cccc(n2)c3ccccn2,2':6',2'' DRGAZIDRY 90 InChI=1/C11148-79-4 64012

ALDRICH (2000CC=1NC(C)=C(CC=1C(=O)OCCEtidin LJXTYJXBO 180.5 InChI=1/C11149-23-1 64013Oc1c(cc(Cl)cc1Cl)C(=O)Nc2ccc3,5,4'-TRI USFZGCVG 142.5 InChI=1/C11151-51-5 64017[O-][N+](=O)c2ccccc2SSc1cccDISULFIDE,NXCKJENH 196.5 InChI=1/C11155-00-6 64024COc1cc3c(cc1OC)cc(CC)nc3CMoxaverinMYCMTMIG 78.5 InChI=1/C210539-19-2 64045[O-][N+](=O)c1cc\3c(cc1)c2c 9-DicyanomPOJAQDYL 267 InChI=1/C11172-02-7 64057O(c1ccccc1)[Si](Oc2ccccc2)( TetraphenoADLSSRLD 49 InChI=1/C21174-72-7 64059ClS(=O)(=O)\N=C=O Sulfuryl ch WRJWRGBV -44 InChI=1/CC1189-71-5 64080

CCCCCCCCCCCCCCCCCC(=O) OctadecanoSSZBUIDZ 57 InChI=1/C31190-63-2 64086CCC1CC1 CyclopropaFOTXAJDD -149.2 InChI=1/C51191-96-4 64095

LIDE,DR ET AL.Clc1cc(O)nc(N)n1 4-PyrimidinVBWACOJL 261.5 InChI=1/C41194-21-4 64110Cc1cc2cc(C)nc2cc1 1H-INDOLE,ZFLFWZRP 115.3 InChI=1/C11196-79-8 64126CN(C)c1ccc(C#N)cc1 P-CYANO-NJYMNQRQQ 74 InChI=1/C91197-19-9 64128Oc1ccc(Br)c2cccnc12 5-Bromo-8-WIIUANWS 124 InChI=1/C91198-14-7 64135Nc1cc(ccc1O)C(C)(C)C 2-Amino-4-RPJUVNYX 161 InChI=1/C11199-46-8 64143BrCCCCOc1ccccc1 (4-BromobQBLISOIWP 41 InChI=1/C11200-03-9 64147CC(=O)Cc2cnc1ccccc12 3-Indolyla LDVHYJKRI 116 InChI=1/C11201-26-9 64150O=C(NC(C)C(=O)O)c1ccccc1 DL-AlanineUAQVHNZE 165.5 InChI=1/C11205-02-3 64163O=C(C)Oc1ccc(cc1)OC(C)=O 1,4-BenzeneAKOGNYJN 123.5 InChI=1/C11205-91-0 64166Clc1c3ccccc3nc2ccccc12 Acridine, 9BPXINCHF 121 InChI=1/C11207-69-8 64173

LIDE,DR ET AL.ClCCN(CCCl)c1ccc(cc1)C=O 4-Bis(2-ch PXUFHXLG 86.5 InChI=1/C11208-03-3 64178CC2NCCc1c3cc(OC)ccc3nc12AdrenoglomRDUORFDQ 150.5 InChI=1/C11210-56-6 64188O=C(Nc1ccccc1C)c2ccccc2 N-o-Tolyl- BSASAHDK 145.5 InChI=1/C1584-70-3 64254CCN(CC)C(=O)CSc1ccc(Cl)nn12-[(6-chlorSSLKKMZJ 97 InChI=1/C11830-32-6 64258CCCC(CCC)C(N)=O Valpromid OMOMUFTZ 125 InChI=1/C82430-27-5 64264Clc1ccc(cc1)C(O)c2cc3ccccc3ClobenfuroKBFBRIPY 48.5 InChI=1/C13611-72-1 64279OC1(CCC(CC1)c2ccccc2)C(CCFencibutiroHPLFQKUI 157 InChI=1/C1 10/6/5977 64310CCN1CCN(CC1)c2cc3N(C=C(C(EnrofloxacSPFYMRJS 220 InChI=1/C193106-60-6 64326CC(C)NCC(O)COc1ccccc1OC 2-PROPANOLFTFGCDE 82.5 InChI=1/C15741-22-0 64348CCOc1ccc(cc1)C(C)(C)COCc3cETOFENPRYREQHYQN 37 InChI=1/C280844-07-1 64377C=CCN2CCCC2CNC(=O)c1cc(cAlpiroprideQRQMZZND 168.75 InChI=1/C181982-32-3 64384O=P(OC)(OC)SCN1c2ncc(Cl) AzamethipVNKBTWQZ 89 InChI=1/C935575-96-3 64559c1cccc2ccc(nc12)c3ccccc3 2-PHENYLQFSEXLNMN 86 InChI=1/C1612-96-4 64618CCCCCCCCCCCCCCCCC=O HeptadecaPIYDVAYK 36 InChI=1/C1629-90-3 64625O=C(N)c1ccc(F)cc1 P-FLUORO VNDHYTGV 155.5 InChI=1/C7824-75-9 64644Cc1cc(ccc1O)C(CC)C(CC)c2cccMethestrolPYWBJEDB 145 InChI=1/C2130-73-4 64688ClC(Cl)(Cl)C(O)NC=O Chloral Fo ACZVWYLT 120 InChI=1/C3515-82-2 64699Oc1cc(O)cc(OC)c1 3,5-Dihydr HDVRLUFG 80.3 InChI=1/C72174-64-3 64709NS(=O)(=O)c2cc1c(NC(NS1(=O)3-CCL3 HY GUTZRTRU 301.5 InChI=1/C8 5/4/4267 64716CC(NNC(=O)c1ccccc1)c2cccc BenmoxineBEWNZPMD 93.5 InChI=1/C1 3/7/7654 64728CCNC1=NC(=O)C(O1)c2cccccFenozolon RXOIEVSU 148 InChI=1/C115302-16-6 64736C(CCN1CCOCC1)c3ccc(COc2ccFomocaineCVHGCWVM 52.5 InChI=1/C217692-39-6 64745Clc1ccc(cc1)c2ccc(COC(C)(C) Clobuzarit UGOFYAXV 154.5 InChI=1/C122494-47-9 64749CC(C)NCC(O)COc2cccc1nc(C)2-PROPANONXWGWUVG 96 InChI=1/C123694-81-7 64750O=C3NC(=O)NC13Cc2ccccc2 TetrantoinZWYUGDUP 267.5 InChI=1/C152094-70-9 64772Clc2cc(NC(=O)NC(=O)c1c(F)cccLUFENUROPWPJGUXA 166 InChI=1/C1103055-07-8 64813NS(=O)(=O)c3cc1c(NC(NS1(=OParaflutizi JDCJFONQ 239 InChI=1/C11580-83-2 64829Nc1ccc(cc1)OCCCCCN3C(=O)Amphotali GIIGAFAD 113.5 InChI=1/C11673-06-9 64830OCC(CCl)(CCl)CO PentaerythrYFESJHPT 83 InChI=1/C52209-86-1 64837Fc1ccc(cc1)S(=O)(=O)CC FluoresonePRNNIHPV 41 InChI=1/C82924-67-6 64838Cc1ncc([N+]([O-])=O)n1CC(O1H-IMIDAZKPQZUUQM 76 InChI=1/C73366-95-8 64839O=C(O)CCC(=O)OC(C)c1oc2ccBenfurodil URIZBPYQI 144 InChI=1/C13447-95-8 64841ClC(Cl)C(=O)N(CCO)Cc1ccc(ccChlorphen ODCUSWJX 136 InChI=1/C13576-64-5 64843

MERCK INDEX Clc1ccc(cc1)Cn2c3ccccc3nc2 ChlormidazWNAQOLSM 227.5 InChI=1/C174298-63-8 64845Clc1ccc(cc1)C(OC(=O)c2cccncNicoclonatXPPXHQUW 61 InChI=1/C110571-59-2 64871[O-][N+](=O)c1ccc(cc1)n2cc( NitrefazoleNMTBSNPB 186 InChI=1/C121721-92-6 64912CC(C)NCC(O)COc2cccc1CC=CIndenolol MPGBPFMO 88.5 InChI=1/C160607-68-3 64962Oc1ccc(cc1)CC(=O)NCCNCC( EPANOLOLYARKMNAW 119 InChI=1/C286880-51-5 65013CCC(C(=O)NC(N)=O)c1ccccc1PheneturidAJOQSQHY 162 InChI=1/C190-49-3 65046OC1(CCCCC1)C(CC)C(=O)O CyclobutyrNIVFTEMP 81.5 InChI=1/C1512-16-3 65051CN1CCC(CC1)N(Cc2ccccc2)c34-Piperidi VZSXTYKG 115 InChI=1/C14945-47-5 65061O=C(OCC1(CCCC1)COC(=O)NcCyclarbamIRZVVDMC 151.5 InChI=1/C25779-54-4 65062CCNc2nsc1ccccc12 Etisazol CPYSWRYV 78 InChI=1/C97716-60-1 65065O=C(O)C23OC1COC(C)(C)OC1.ALPHA.-L FWCBATID 74 InChI=1/C118467-77-1 65070Ic1cc(cc(I)c1O)C(O)C(C)NC(C Bufeniode RFIXURDM 212 InChI=1/C122103-14-6 65072NS(=O)(=O)c1cc(Cl)c(cc1)N2 Suclofenid JUIHCCIFJ 206 InChI=1/C130279-49-3 65079CCCCNC(=O)c1cc(N)ccc1OCCParsalmideDXHYQIJBU 84 InChI=1/C130653-83-9 65080O=C(CN3CCN(Cc1ccc2OCOc2cFenoverineUBAJTZKN 141.5 InChI=1/C237561-27-6 65083O=C1NC(=O)NC(=O)C1(C=C)CVinylbital KGKJZEKQ 91 InChI=1/C12430-49-1 65109Cc2cc(Cl)c(\N=C1/NCCN1)cc22-(2-CL-4 KWBTZIFLQ 149 InChI=1/C14201-22-3 65112Oc1cc2OC(=O)Sc2cc1 Tioxolone SLYPOVJCS 160 InChI=1/C74991-65-5 65113O=C(NN)c1ccc(N)cc1O p-AminosaliFYZGXAKJ 195 InChI=1/C76946-29-8 65402CC1(C)C=CC=C(C=C1)C(=O)O Thujic AcidJHHXPQAU 88.5 InChI=1/C1499-89-8 65494OC(CO)COCCCCCCCCCCCCCCChimyl Alc OOWQBDFW 64 InChI=1/C1506-03-6 65572O=C1OC(=O)c3ccccc3c2cccccDibenz c,e RTSGJTANV 217 InChI=1/C16050-13-1 65630

IUCLID (2000) O=C2C(Cl)=C(Cl)C=NN2c1ccc 2-Phenyl-4VKWCOHVA 162 InChI=1/C11698-53-9 65649O=C(O)CCCCCCCCCCCCC1C= ChaulmoogrXMVQWNRD 68.5 InChI=1/C129106-32-9 65685Oc1ccc(Br)c(C)c1 Phenol, 4- GPOQODYG 63.5 InChI=1/C714472-14-1 65689

ALDRICH (2000OC1c3ccccc3Oc2ccccc12 XanthydrolJFRMYMMI 127.5 InChI=1/C190-46-0 65693Clc1ccccc1OC(C)C(=O)O 2-(2-Chlor ZGWNXHRV 113 InChI=1/C976466-16-5 65694

PINSUWAN,S ETClc1ccccc1OC(C)C(=O)O Propanoic ZGWNXHRV 114 InChI=1/C925140-86-7 65694O=C(c1ccc(Br)cc1)c2ccc(Br)c Bis-(4-bro LFABNOYD 177 InChI=1/C1 3/2/3988 65700O=C(C)c1ccc(I)cc1 1-(4-Iodo- JZJWCDQG 86 InChI=1/C813329-40-3 65701O=C(CCC(=O)O)c1ccccc1 BENZENEBUKMQLIDDE 118 InChI=1/C12051-95-8 65703

ALDRICH (2000NC(=O)N1CCCCC1 1-Piperidi JSPCTNUQY 105 InChI=1/C6 3/4/2158 65719C(CN1CCOCC1)N2CCOCC2 Morpholine,QRQKCMFV 75 InChI=1/C11723-94-0 65720[O-][N+](=O)c1ccc2c3ccccc3 3-Nitrodib UVFAHDAU 181.5 InChI=1/C15410-97-9 65729c1ccc(cc1)c2cccn2 1H-PYRROLIRTLROCM 129 InChI=1/C13042-22-6 65730O=C(O)c1cc2ccccc2n1 INDOLE-2- HCUARRIE 206.5 InChI=1/C91477-50-5 65731N#Cc1ccccc1N BenzonitrilHLCPWBZN 51 InChI=1/C71885-29-6 65745OCCCc1ccccn1 2-PYRIDIN FVZXYJDG 34 InChI=1/C82859-68-9 65754OCCCc1ccncc1 4-PYRIDIN PZVZGDBC 37 InChI=1/C82629-72-3 65755O=C(O)c1ccc(OCCCC)cc1 P-BUTOXYBLAUFPZPA 148.5 InChI=1/C11498-96-0 65785O=C(OCC)c1cc2ccccc2n1 1H-INDOLEQQXQAEWR 123.5 InChI=1/C13770-50-1 65903

LIDE,DR ET AL.CC(C)(C)c1cc(cc(c1O)C(C)(C) BenzaldehydDOZRDZLF 186 InChI=1/C11620-98-0 65974O=S(=O)(NC(=O)Nc1nc(OC)ccNicosulfur RTCOGUMH 142 InChI=1/C1111991-09-4 66024Cc2nc(NC(=O)NS(=O)(=O)c1cTriasulfuroXOPFESVZ 186 InChI=1/C182097-50-5 66025O=C(O)CC(Br)C(=O)O ButanedioicQQWGVQWA 161 InChI=1/C4584-98-5 66239

O=C(O)CC(Br)C(=O)O BromosucciQQWGVQWA 161 InChI=1/C4923-06-8 66239O=C(N(CCOc1c(Cl)cc(Cl)cc1C PROCHLORTVLSRXXI 48 InChI=1/C167747-09-5 66316OC(C(C)C)(c1cncnc1)c2ccc(OCFLURPRIMIVEVZCONI 95 InChI=1/C156425-91-3 66319ClC(Cl)(Cl)CC1(CO1)c2cc(Cl)ccOxirane, 2-IBZHOAON 42.8 InChI=1/C158138-08-2 66320Clc3ccccc3c1nnc(nn1)c2cccc CLOFENTEZUXADOQPN 182 InChI=1/C174115-24-5 66321

Tomlin (2003) CCC(C)(CC)c2cc(NC(=O)c1c(OIsoxaben PMHURSZH 177.5 InChI=1/C182558-50-7 66323Tomlin (2003) O=S(=O)(NC(=O)Nc1nc(C)nc( HARMONYAHTPATJNI 176 InChI=1/C179277-27-3 66325

C[Si](Cn1cncn1)(c2ccc(F)cc2)Flusilazole FQKUGOMF 54 InChI=1/C185509-19-9 66326CRC CCO[Si](c1ccccc1)(c2ccccc2) Silane, eth ZVJXKUWN 65 InChI=1/C21516-80-9 66340

Cc3ccc(C)c2c3C(=O)c1ccccc 9,10-AnthrDVFAVJDE 140.5 InChI=1/C11519-36-4 66343C=Cc1ccc(N)cc1 BenzenaminLBSXSAXO 23.5 InChI=1/C81520-21-4 66344

ALDRICH (2000COc1cc(ccc1OC)C(N)=O Benzamide,XNDZRGTV 164 InChI=1/C91521-41-1 66348ALDRICH (2000ICC(CI)(CI)CI Propane, 1,HPMGSGCD 225 InChI=1/C51522-88-9 66350CRC C[Si](C)(C)Oc1ccccc1 SILANE, T OJAJJFGM -55 InChI=1/C91529-17-5 66363

CCC(c1ccccc1)c2ccccc2 1,1-DIPHE BUZMJVBO 13.3 InChI=1/C11530-03-6 66369Nc2nccc1ccccc12 1-ISOQUINOSILBMSO 104 InChI=1/C91532-72-5 66384Nc2nccc1ccccc12 1-ISOQUINOSILBMSO 123 InChI=1/C91532-84-9 66384Brc2cncc1ccccc12 4-BromoisoSCRBSGZB 41.5 InChI=1/C91532-97-4 66385CCC(=O)CCCCCCCCCC 3-TRIDECAZDIXOWND 31 InChI=1/C11534-26-5 66392Fc1c(c(F)c(F)c(F)c1F)C(=O)c2 2,3,4,5,6- HCCPWBWO 37 InChI=1/C11536-23-8 66396

LIDE,DR ET AL.O=C2CSC(=S)N2c1ccccc1 4-ThiazolidDVRWEKGU 194.5 InChI=1/C91457-46-1 66456O=C(Nc1ccccc1)C(=O)OCC OXANILIC AYDGAUBHN 65.5 InChI=1/C11457-85-8 66460CC1(O)CCCC1 1-Hydroxy-CAKWRXVK 36 InChI=1/C61462-03-9 66464

ALDRICH (2000Oc1ccc(cc1)C(c2ccc(O)cc2)(C(Phenol, 4,4ZFVMWEVV 162 InChI=1/C11478-61-1 66498CCCCn3c1ccccc1c2ccccc23 9-Butyl-9HSQFONLUL 58 InChI=1/C11484-08-8 66506C=Cc1ccco1 2-VINYLFUQQBUHYQV -94 InChI=1/C61487-18-9 66515Fc1ccccc1[N+](=O)[O-] O-FLUOROPWKNBLFS -6 InChI=1/C61493-27-2 66528O=C(CCCC(=O)O)c1ccccc1 BUTANOIC SHKWSBAV 127.25 InChI=1/C11501-05-9 66547O=C1CCCCCCCCC1 CYCLODECSXOZDDAF 28 InChI=1/C11502-06-3 66551Brc1cc(c(OC(C)=O)cc1)C(=O) 2-(Acetylo VRJBEVQG 60 InChI=1/C91503-53-3 66554CCC=1CCCCC=1 CYCLOHEXEIFVMAGPIS -109.9 InChI=1/C81453-24-3 66568O=C(C)Nc1ccc(cc1)C=O P-FORMYLASKLUWKYN 157 InChI=1/C9122-85-0 66572NNC(=O)NN Carbonic dXEVRDFDB 154 InChI=1/CH497-18-7 66578OCCC1CCNCC1 4-Piperidi LDSQQXKS 132.5 InChI=1/C7622-26-4 66582N#Cc1ccc2ccccc2n1 2-CYANOQWDXARTMC 95 InChI=1/C11436-43-7 66650

ALDRICH (2000S=C1SCC(=O)N1N 3-AminorhZBUUHLDY 101.5 InChI=1/C31438-16-0 66652BARRATT,MD (O=C(CCl)N1CCOCC1 Morpholine,YMQRPXBB 37 InChI=1/C61440-61-5 66659

O=C(Cl)c1ccccc1O 2-Hydroxy-DVIHKVWY 19 InChI=1/C71441-87-8 66660O=C(C)c1ccc(C#N)cc1 P-CYANOANLPHXWGW 57.5 InChI=1/C91443-80-7 66663CC(C)(C)c1cc(C)c(C)cc1O 3,4-DimethGDGFDAKC 46 InChI=1/C11445-23-4 66667C[Si](C)(C)[Si](C)(C)C DISILANE, NEXSMEBS 13.5 InChI=1/C61450-14-2 66675Cc1ccc(cc1)Oc2ccc(C)cc2 Benzene, 1,YWYHGNUF 51 InChI=1/C11579-40-4 66712OC(=O)c1ccc(F)cc1F 2,4-DifluorNJYBIFYE 189 InChI=1/C71583-58-0 66716OC(CC(=O)OC)(CC(=O)OC)C( 1,2,3-PropaHDDLVZWG 79.3 InChI=1/C91587-20-8 66725OCc1ccc2ccccc2c1 2-NAPHTHMFGWMAAZ 81.3 InChI=1/C11592-38-7 66741

C=CCCCCCCCCCCCCCCCCCCC1-DocosenSPURMHFL 38 InChI=1/C21599-67-3 66749Cc1csc(N)n1 2-THIAZOLOUQMXTJY 45.5 InChI=1/C41603-91-4 66754

LIDE,DR ET AL.CC(=C)c1ccc(cc1)C(=C)C Benzene, 1ZENYUPUK 63.5 InChI=1/C11605-18-1 66759OCCn1ccnc1 1-(2-HydroAMSDWLOA 39 InChI=1/C51615-14-1 66778CC(=O)CCCCC(=O)C 2,7-OCTANNZGDDIUI 44 InChI=1/C81626-09-1 66805CC1(C)CC1 CYCLOPROPPBIJFSCPE -109 InChI=1/C51630-94-0 66810Cc1cccnn1 PYRIDAZINMXDRPNGT 184 InChI=1/C51632-76-4 66816N#Cc1cnccc1C#N 3,4-PYRID ALJUMASA 80 InChI=1/C71633-44-9 66819O=[N+]([O-])c1ccc(Cl)cc1N 5-Chloro-2-ZCWXYZBQ 127.8 InChI=1/C61635-61-6 66825ClP1Oc2ccccc2O1 1,3,2-BenzYUJYEGDM 30 InChI=1/C61641-40-3 66839CCCCCCCCCC(=O)OCCCCCCC Decanoic acXAKXZZPE 9.7 InChI=1/C21654-86-0 66854Cc3cnc2c(ccc1c(C)c(C)cnc12)1,10-PhenanNPAXPTHC 278.5 InChI=1/C11660-93-1 66871O=C(CCCCCC)c1ccccc1 1-HeptanonUXMQORVH 16.4 InChI=1/C11671-75-6 66887Cc1ccc(cc1)C(=O)CCCC 4-MethylphBCVCZJAD -2 InChI=1/C1 7/9/2050 66889O=C(CCCCCCC)c1ccccc1 1-OctanoneUDEVCZRU 22.8 InChI=1/C11674-37-9 66895O=C(CCCCCCCCCCC)c1ccccc11-DodecanoDJNJZIFFC 47 InChI=1/C11674-38-0 66896

ALDRICH (2000OB(O)c1ccc(Cl)cc1 BenzeneborCAYQIZIAY 286.5 InChI=1/C61679-18-1 66902OC3c1ccccc1c2ccccc23 9H-FluorenAFMVESZO 153.5 InChI=1/C11689-64-1 66916

Daubert & DanFC(F)OC(F)F Di(difluoroIOCGMLSH -123.15 InChI=1/C21691-17-4 66918Oc2ccc(O)cc2Cc1ccccc1 1,4-BENZE NEWPHVNF 105.8 InChI=1/C11706-73-6 66949CC(C)(C)c1cc(cc(c1O)C(C)(C)CPHENOL, 4,VSAWBBYY 244 InChI=1/C51709-70-2 66963Cc1cccc(c1)C(=O)Cl Benzoyl chlYHOYYHYB -23 InChI=1/C81711-06-4 66968O=C(Cl)c1cc(F)ccc1 Benzoyl chlSYVNVEGI -30 InChI=1/C71711-07-5 66969Clc1ccc(OC)nn1 3-CHLORO-XBJLKXOOH 84.5 InChI=1/C51722-10-7 66995Clc1ncccn1 PYRIMIDINUNCQVRBW 67 InChI=1/C41722-12-9 66996O=C(CCCCCCCCCCC(=O)OC)ODODECANEDIZMOTZDB 31.9 InChI=1/C11731-79-9 67007O=C(CCCCCC(=O)OC)OC HEPTANEDISHWINQXI -21 InChI=1/C91732-08-7 67008C1CCc2ccc3CCCc4ccc1c2c34 1,2,3,6,7, MBAIEZXR 133 InChI=1/C11732-13-4 67009

ALDRICH (2000O=P(CC)(c1ccccc1)c2ccccc2 Phosphine AKTGKEBIB 122.5 InChI=1/C11733-57-9 67015Cc1cc(ccc1O)C(C)C 2-Methyl-4WYXXLXHH 8.6 InChI=1/C11740-97-2 67037

LIDE,DR ET AL.Oc2ccc(Nc1ccc(O)cc1)cc2 Phenol, 4,4YRUPBAWW 174.5 InChI=1/C11752-24-5 67049O=C(CC(C)C(=O)O)c1ccccc1 BENZENEBUICXWGAZL 141 InChI=1/C11771-65-9 67074Cc1cnc(Cl)nc1Cl Pyrimidine,DQXNTSXKI 26 InChI=1/C51780-31-0 67089[O-][N+](=O)c1cc2nc(C)nc2cc1H-BENZIMRKRXTVLC 224 InChI=1/C81792-40-1 67105CCc1ccsc1 THIOPHENESLDBAXYJ -89.1 InChI=1/C61795-01-3 67111C=CCNC(=O)NCC=C DIALLYL U QRWVOJLT 91.5 InChI=1/C71801-72-5 67117CCCCCCCCOc1ccccc1 Benzene, (oZPIRTVJR 8 InChI=1/C11818-07-1 67137CCCC(=O)C(=O)O 2-Oxo-pentKDVFRMMR 6.5 InChI=1/C51821-02-9 67142c1ccccc1NC2CCCCC2 BenzenaminTXTHKGMZ 16 InChI=1/C11821-36-9 67145Fc1c(C#N)c(C#N)c(F)c(F)c1F TetrafluoroOFLRJMBS 83 InChI=1/C81835-65-0 67177O=C(O)C#CCCCCCC 2-NONYNOIZAWLBSAT -8 InChI=1/C91846-70-4 67186COC(OC)(OC)OC TetramethAHJWSRRH -5 InChI=1/C51850-14-2 67188

ALDRICH (2000O=C1NCCCN1 2(1H)-Pyri NQPJDJVG 265 InChI=1/C41852-17-1 67190O=C(Cl)C(c1ccccc1)c2ccccc2 Diphenyl-acMSYLETHD 56.5 InChI=1/C11871-76-7 67212Brc1cc(CC(=O)O)ccc1 M-BROMOPKYNNBXCG 101 InChI=1/C81878-67-7 67228

Brc1ccc(CC(=O)O)cc1 P-BROMOPHQOWSWEBL 116 InChI=1/C81878-68-8 67229CC(=O)c1ccc(OCC(=O)O)cc1 P-ACETYLPKMXZEXUY 176 InChI=1/C11878-81-5 67230OCC(c1ccccc1)c2ccccc2 2,2-DiphenNYLOEXLA 64.5 InChI=1/C11883-32-5 67237FC(F)(F)c1ccc(cc1)C(N)=O P-TRIFLU WEJHBEDH 185 InChI=1/C81891-90-3 67257

LIDE,DR ET AL.Nc2ccc3ccc1ccccc1c3c2 3-PhenanthHUWRJSZO 143 InChI=1/C11892-54-2 67264N#Cc1c(F)cccc1F 2,6-DifluorBNBRIFIJR 31 InChI=1/C71897-52-5 67268O=C(O)c1ccc(C)o1 2-FurancarbOVOCLWJU 109.5 InChI=1/C61917-15-3 67283C(CN1CCCCC1)N2CCCCC2 Piperidine,UYMQPNRU -0.5 InChI=1/C1 4/3/1932 67305Nc1ccc(cc1)S(=O)(=O)c2ccc(cBENZENAMIDMZVYFFB 170 InChI=1/C11948-92-1 67334O=C(CC(c1ccc(Cl)cc1)(c2ccc( Hetolin SWDPECKA 214 InChI=1/C22390-22-9 67336Cc2c1ccccc1n(C)c2C 1H-INDOLE,NRRVOLST 18 InChI=1/C11971-46-6 67358CCCCCCCCCC#N DecanenitriHBZDPWBW -17.9 InChI=1/C11975-78-6 67360

LIDE,DR ET AL.CCCCCS(=O)CCCCC Pentyl sulf LAAFGFCP 58 InChI=1/C11986-90-9 67373LIDE,DR ET AL.Nc1ccncc1C 3-Methyl-4VGJLGPCX 108.5 InChI=1/C61990-90-5 67378ALDRICH (2000ClCCN1CCCCC1 Piperidine,WNRWEBKE 234.5 InChI=1/C72008-75-5 67393

CCOc1cc(ccc1OCC)C=O BenzaldehySSTRYEXQ 22 InChI=1/C12029-94-9 67412ALDRICH (2000N#CC=1NC=NC2=NC=NC=12 6-CyanopurNHYQQYMS 187.5 InChI=1/C62036-13-7 67423

Cc1cncnc1 PYRIMIDINTWGNOYAG 30.5 InChI=1/C52036-41-1 67424Cc1cncnc1 4-METHYLPTWGNOYAG 32 InChI=1/C53438-46-8 67424

MSDS FC(F)(C(F)(F)CCO)C(F)(F)C(F)(1-Hexanol, JCMNMOBH -58 InChI=1/C62043-47-2 67446CCOc1cccc(c1)OCC 1,3-DiethoMKGFYMKF 12.4 InChI=1/C12049-73-2 67462CCOc1ccccc1OCC Benzene, 1QZYDOKBV 44 InChI=1/C12050-46-6 67466Nc1cc(ccc1)c2cc(N)ccc2 m-BenzidinNDXGRHCE 93.5 InChI=1/C12050-89-7 67473CC(C)CCOC(=O)C(=O)OCCC(COxalic acidHCUOPEBH -9 InChI=1/C12051-00-5 67475O=C(CCCCC)OC(=O)CCCCC Hexanoic aPKHMTIRC -41 InChI=1/C12051-49-2 67479c2cc(Cn1cccc1)ccc2 1H-PyrroleFNEQHKCQ 15 InChI=1/C12051-97-0 67483CC(C)c1ccc(C=C)cc1 1-IsopropyQQHQTCGE -44.7 InChI=1/C12055-40-5 67489CCCCC(=O)OC(=O)CCCC Pentanoic DUCKXCGA -56.1 InChI=1/C12082-59-9 67515O=C(CCCCCCCCC)OC(=O)CCCDECANOIC HTWWKYKI 24.7 InChI=1/C22082-76-0 67516Brc1ccc(\N=N#N)cc1 BENZENE, WHSJSMSB 20 InChI=1/C62101-88-4 67560Fc1cc(F)c(F)cc1[N+](=O)[O-] 1,2,4-Trifl ROJNMGYM -11 InChI=1/C62105-61-5 67565C(Cc1ccccn1)c2ccccc2 Pyridine, 2NIJWAAUH -3 InChI=1/C12116-62-3 67581

ALDRICH (2000O=C(c1ccccc1)c2ccc(cc2)c3ccMethanone,LYXOWKPV 100 InChI=1/C12128-93-0 67593ALDRICH (2000CP(=O)(c1ccccc1)c2ccccc2 Phosphine PEGCITOD 113 InChI=1/C12129-89-7 67594

S=C=N\c1ccc(cc1)[N+]([O-])=4-NITROPHNXHSSIGR 111 InChI=1/C72131-61-5 67597ClC(Cl)(Cl)c1cc(Cl)ccc1 1-Chloro-3ZVPXXRHAC 0.6 InChI=1/C72136-81-4 67604O=C3c1ccccc1C(=O)N3Cc2ccc2-Benzyl-isWITXFYCL 116 InChI=1/C12142-01-0 67611

ALDRICH (2000Oc1ccc(C=O)c(O)c1O BenzaldehyCRPNQSVB 160 InChI=1/C7 8/3/2144 67616C\C=C1\CCCC1 CYCLOPENTVONKRKBG -129.5 InChI=1/C72146-37-4 67620OC(=O)c1c(N)cccc1Cl 2-Amino-6-SZCPTRGB 159 InChI=1/C72148-56-3 67623

ALDRICH (2000O=C2C=C/C(=N\c1ccc(cc1)N(2,5-Cycloh LHGMHYDJ 133.5 InChI=1/C12150-58-5 67630ClCCCCCCCCCCCl Decane, 1,RBBNTRDP 15.6 InChI=1/C12162-98-3 67652CC(CO)CO 1,3-PropanQWGRWMM -91 InChI=1/C42163-42-0 67654O=C1OC(=O)CC1=C 2,5-FurandOFNISBHG 69 InChI=1/C5 3/8/2170 67661

CRC C[Si](C)(OC(=O)C)OC(=O)C Silanediol, RQVFGTYF -12.5 InChI=1/C62182-66-3 67680

ALDRICH (2000O=P(O)(OCCCCCCCCCCCCCC DicetylphoRNPXCFIN 74.5 InChI=1/C32197-63-9 67691CCN(CC)c1ccc(cc1)[N+]([O-]) BenzenaminCFPIZMWT 77.5 InChI=1/C12216-15-1 67731CCC(=O)CCCCCCCC 3-UNDECAYNMZZHPS 12 InChI=1/C12216-87-7 67735

LIDE,DR ET AL.O=C1Cc3cccc2cccc1c23 1-AcenaphJBXIOAKUB 121 InChI=1/C12235-15-6 67774O=C(CCCCCCCCCCCCCCC)OC HEXADECANBEKZXQKG 20.4 InChI=1/C12239-78-3 67777Cc1c(C)c(C)c(C)c(C)c1C(O)=OPentamethyMNLKGWIY 210.5 InChI=1/C12243-32-5 67781O=C(O)c2ccccc2Oc1ccccc1 O-PHENOXYPKRSYEPB 113 InChI=1/C12243-42-7 67782N#CCCCOc1ccccc1 4-Phenoxy-ZOLWCAUQ 45.5 InChI=1/C12243-43-8 67783NNc2cccc1ccccc12 1-NaphthylXBCIOBSQ 117 InChI=1/C12243-55-2 67785O=[N+]([O-])c1cc(ccc1)C(=O)3-NitropheMFYLRNKO 95 InChI=1/C12243-80-3 67787NC(=O)c2cccc1ccccc12 1-NAPHTHRMHJJUOP 205.8 InChI=1/C12243-81-4 67788ClC(=O)c1ccc2ccccc2c1 2-NaphthalXNLBCXGR 51 InChI=1/C12243-83-6 67790Cc1ccc2nc(C)cc(C)c2c1 2,4,6-TrimeZXGXGZGK 68 InChI=1/C12243-89-2 67791C#CCCCCCCCCC 1-UndecynYVSFLVNWJ -25 InChI=1/C12243-98-3 67793Fc1ccc(cc1)N2CCNCC2 PIPERAZINEAVJKDKWR 31.5 InChI=1/C12252-63-3 67803CN1c2ccccc2SC1=S 2(3H)-BEN IRNRNPNZ 90 InChI=1/C82254-94-6 67807Fc1cc(F)cc(c1)[N+](=O)[O-] BENZENE, AUQBBDWD 17 InChI=1/C62265-94-3 67815Cc2ccc(/N=C/c1ccccc1)cc2 BenzylidenMSFVFFZP 35 InChI=1/C12272-45-9 67818COc1ccc(/N=C=S)cc1 BENZENE, VRPQCVLB 18 InChI=1/C82284-20-0 67835O=C(O)c1ccc(OCCCCCCCCCCCBENZOIC AALQLYJHDB 95 InChI=1/C12312-15-4 67867Oc1ccc(Br)cc1CO BENZENEMKNKRHSVK 113 InChI=1/C72316-64-5 67879NC(=O)CCCCCCCCC Decanoic aTUTWLYPC 108 InChI=1/C12319-29-1 67884FC(F)(F)c1ccc(CC#N)cc1 4-(Trifluor QNKOCFJZ 48 InChI=1/C92338-75-2 67895CC(=O)CCCCCCCCCCCC Dodecyl mePOQLVOYR 33.5 InChI=1/C12345-27-9 67900

ALDRICH (2000O=C(O)C[Si](C)(C)C Acetic acid,JDMMZVAK 41 InChI=1/C52345-38-2 67902Kirk-Othmer C[SiH]1O[SiH](C)O[SiH](C)O[ CyclotetrasBQYPERTZJ -69 InChI=1/C42370-88-9 67937

Oc2cccc1nccc12 4-HYDROXNLMQHXUG 100 InChI=1/C82380-94-1 67953Nc1cc(OC)ccc1Cl 2-Chloro-5GBOUQGUQ 27 InChI=1/C72401-24-3 67990C[Si](C)(Cl)O[Si](C)(C)Cl Disiloxane,DMEXFOUC -37.5 InChI=1/C42401-73-2 67991O=C(CC(=C)C(=O)OCC)OCC ButanedioicZEFVHSWK 58.5 InChI=1/C92409-52-1 68010Cc1cc(cc(C)c1O)c2cc(C)c(O)c [1,1'-BipheYGYPMFPG 221.8 InChI=1/C1 4/1/2417 68019O=C(O)CCCCCCCCCCCCCCCCCEicosanedioJJOJFIHJI 125.5 InChI=1/C22424-92-2 68030CN(C)c1ccc2ccccc2c1 2-(DimethyIKZPRXHVT 52.5 InChI=1/C12436-85-3 68053O=[N+]([O-])c2ccccc2c1ccccc2,2'-DINIT QAFJHDNF 126 InChI=1/C12436-96-6 68055CCNc1ccc2ccccc2c1 2-(EthylamAHEJURHRY 236 InChI=1/C1 3/8/2437 68056CCOc1cc(cc(c1)OCC)OCC Benzene, 1,CPEDYIVP 43.5 InChI=1/C12437-88-9 68061

Aldrich (1998) CCCCCCCCCCCCCCCCCCNC 1-OctadecaSZEGKVHRC 44 InChI=1/C12439-55-6 68064Oc1ccc2c3ccccc3Cc2c1 2-HydroxyfZDOIAPGL 168 InChI=1/C12443-58-5 68072COC(=O)c1ccccn1 PICOLINIC NMMIHXMB 18.7 InChI=1/C7 7/6/2459 68094CCCCCCCNCCCCCCC 1-HeptanamNJWMENBY 31.5 InChI=1/C12470-68-0 68105O=C(C)c1cc(Cl)ccc1Cl Ethanone, 1CYNFEPKQ 12 InChI=1/C82476-37-1 68111[O-][N+](=O)c2ccc(Oc1ccccc12,4-DinitroHQFCELSV 71 InChI=1/C1 7/9/2486 68121Cc1cc(ccc1N)C(=O)O 4-AMINO-MNHFKECPTB 169.5 InChI=1/C82486-70-6 68122ClCc1ccc2ccccc2c1 2-(ChloroeMPCHQYWZ 48.5 InChI=1/C12506-41-4 68154NCCCCCO 5-AminopeLQGKDMHE 38.5 InChI=1/C52508-29-4 68156

Oc1cc(O)cc(C)c1C(=O)OCC Benzoic aciUQSRXQMI 132 InChI=1/C12524-37-0 68173ClC(Cl)(Cl)S(Cl)(=O)=O MethanesulfZCPSWAFA 140.5 InChI=1/CC2547-61-7 68202COc2ccccc2C(=O)c1ccccc1 METHANONECSUUDNFY 41 InChI=1/C12553-04-0 68220C[Si]1(O[Si](C)(O[Si](C)(O[S CyclotetrasVMAWODUE -43.5 InChI=1/C1 6/5/2554 68224Cc1ccc(cc1C)C(=O)c2ccccc2 3,4-DimethJENOLWCG 47.5 InChI=1/C12571-39-3 68247OC(=O)C(CC=C)C(=O)O 2-Allyl-malZDZVKPXK 105 InChI=1/C62583-25-7 68265CCCC#CCC 3-HEPTYNEKLYHSJRCI -130.5 InChI=1/C72586-89-2 68268

Aldrich (1998) On2nnc1ccccc12 1-HydroxybASOKPJOR 157.5 InChI=1/C62592-95-2 68282CC(=O)NC(=O)CN GLYCIN-AMUUBCNZXO 141.5 InChI=1/C42620-63-5 68309O=C(NCc1ccccc1)OCC N-Benzyl eXSXLCQLO 49 InChI=1/C12621-78-5 68310C[Si](C)(O[Si](C)(C)C=C)C=C Disiloxane,BITPLIXHR -99.7 InChI=1/C82627-95-4 68328Oc1c(Br)c(Br)c(O)c(Br)c1Br 1,4-Dihydr DTFQULSU 244 InChI=1/C62641-89-6 68349Clc1ccc(cc1Cl)C(C)=O Ethanone, 1WBPAOUHW 76 InChI=1/C82642-63-9 68350Nc2ccccc2Oc1ccccc1 O-PHENOXYNMFFUUFP 45.8 InChI=1/C12688-84-8 68404O=[N+]([O-])c1cc(ccc1C(=O)OBENZOIC ACWEUVWLHW 108 InChI=1/C82702-58-1 68421Cc1cc(C)c(C)c2ccccc12 1,2,4-Trim JCNGSJUY 55.5 InChI=1/C12717-42-2 68437CC(C)Oc1ccccc1 Isopropox ZYNMJJNW -33 InChI=1/C92741-16-4 68467O=C(O)Cc1ccco1 Furan-2-yl-VYSRZETU 68.5 InChI=1/C62745-26-8 68475COC(CCCCCCCCCCCCCCC)OC HexadecaneLACZJJJYI 10 InChI=1/C12791-29-9 68532O=C(N)c1ccc(N)cc1 4-AMINOBQIKYZXDT 182 InChI=1/C72835-68-9 68568Nc1ccc(O)c(C)c1 Phenol, 4- HDGMAACK 176.5 InChI=1/C72835-96-3 68570Nc1cc(ccc1Cl)C(=O)O 3-Amino-4-DMGFVJVL 214 InChI=1/C72840-28-0 68579Clc1ccc(Br)s1 2-Bromo-5-ZFAJPWYX -20 InChI=1/C42873-18-9 68617O=C(CCC)c1ccccc1O 2-HydroxypGUDQIKIA 10 InChI=1/C12887-61-8 68641O=C(O)COc2cccc1ccccc12 ACETIC AC GHRYSOFW 196 InChI=1/C12976-75-2 68790C#CC(C)(C)N 3-Butyn-2-VUGCBIWQ 18 InChI=1/C52978-58-7 68796OC(=O)c1cc(F)ccc1F 2,5-DifluorLBQMIAVI 133 InChI=1/C72991-28-8 68816O=C(OCC)c1ccc2ccccc2c1 NaphthaleneHQKSINSC 32 InChI=1/C13007-91-8 68840O=C1CCCCCC1=O 1,2-Cycloh SLOCIJOT -40 InChI=1/C73008-39-7 68842Clc1ccc(cc1Cl)C(Cl)=O Benzoyl chlVTXNOVCT 25 InChI=1/C73024-72-4 68878Cc1cc2ccc(C)c(C)c2cc1 1,2,6-Trim GQYLQOBV 14 InChI=1/C1 5/8/3031 68891FC(F)(F)c1ccccc1CC#N 2-(Trifluor QXDCZSJG 33 InChI=1/C93038-47-9 68907O=C(C)Oc1ccccc1C(F)(F)F ACETIC ACIGNFCRFCIP 101 InChI=1/C93038-48-0 68908O=C2C(Br)=C(N)C=NN2c1ccc BrompyrazODNZLRLW 223.5 InChI=1/C13042-84-0 68913

Kirk-Othmer CO[Si](CCCCCCCCCCCCCCCCCn-OctadecySLYCYWCV 15 InChI=1/C23069-42-9 68956O=S(=O)(Cc1ccccc1)c2ccccc2BENZYL PHFABCMLOT 146 InChI=1/C13112-88-7 69027Brc1ccsc1Br THIOPHENEATRJNSFQ -17.5 InChI=1/C43140-93-0 69055Brc1cc(Br)c(Br)s1 Thiophene,SKDNDSLDR 29 InChI=1/C43141-24-0 69057CC(=O)C(C)(C)C(C)=O 3,3-DimethSWGDHTSW 19 InChI=1/C73142-58-3 69060O=C(CCCCC)c1ccc(O)cc1O 2,4-Dihydr SKUFHZAE 57 InChI=1/C13144-54-5 69061COc1ccc(cc1)C(=O)CCC(=O)OBENZENEBUOMTDIBZS 149 InChI=1/C13153-44-4 69077O=[N+]([O-])c1ccc(O)cc1O 1,3-BENZENCYEZXDVL 122 InChI=1/C6 7/3/3163 69087CCC(=O)c1ccco1 1-PROPANOHCPORNAV 28 InChI=1/C73194-15-8 69124ClCC(CCl)(CCl)CCl (Tetrachlo KPZGRMZP 97 InChI=1/C53228-99-7 69160BrCC(CBr)(CBr)CBr PROPANE, OYSVBCSO 163 InChI=1/C53229-00-3 69161

Cc1cc(C)c(O)c(C)c1C Phenol, 2,3WEJVHFVG 80.5 InChI=1/C13238-38-8 69177OC(=O)c1ccc(o1)C(O)=O 2,5-FurandiCHTHALBT 342 InChI=1/C63238-40-2 69178CP(C)(=O)O Dimethyl-pGOJNABIZV 92 InChI=1/C2 12/3/3283 69233Clc1ccc(\N=N#N)cc1 1-Azido-4- HZVGOEUG 20 InChI=1/C6 5/7/3296 69259Clc1ccccc1\N=C=O Benzene, 1NOHQUGRV 30.5 InChI=1/C73320-83-0 69288O=C=N\c1ccccc1[N+]([O-])=OBenzene, 1-JRVZITOD 41 InChI=1/C73320-86-3 69289O=C=N\c1cccc(c1)[N+]([O-]) Benzene, 1-GFFGYTMC 51 InChI=1/C73320-87-4 69290C(CC1CCCCC1)C2CCCCC2 CYCLOHEXANIBLVSWYG 11.5 InChI=1/C13321-50-4 69292O=C1CCCCCCCC1 CYCLONONBAUZLFKY 34 InChI=1/C93350-30-9 69328Brc2ccc(Sc1ccc(Br)cc1)cc2 Bis(4-bromCLPVCAXO 115 InChI=1/C13393-78-0 69380[O-][N+](=O)c2ccc(Oc1ccc(C)4-Methyl-4'OCIIHACEC 69 InChI=1/C13402-74-2 69393Oc1ccc(CC(N)C(=O)OC)cc1 L-TYROSINMWZPENIJ 137 InChI=1/C11080-06-4 69406BrCc1ccccc1Br Benzene, 1LZSYGJNF 31 InChI=1/C73433-80-5 69414

CRC C[Si](C)(Oc1ccccc1)Oc2ccccc DIMETHYLDSWLVAJXQI -23 InChI=1/C1 2/6/3440 69421O=C1CCCN1CCO 2-Pyrrolidi WDQFELCE 20 InChI=1/C6 11/2/3445 69427Nc1ccc(CC#N)cc1 (4-Amino-phYCWRFIYBU 46 InChI=1/C83544-25-0 69446O=[N+]([O-])c1cc(Br)ccc1Br 1,4-DibromWRGKKASJ 85.5 InChI=1/C63460-18-2 69450Ic1cnnc1 4-IODOPYRLLNQWPTU 109 InChI=1/C33469-69-0 69468c1ccc2NCCNc2c1 QuinoxalineHORKYAIE 99 InChI=1/C83476-89-9 69474O=C(c1ccccc1)C2CC2 CyclopropyPJRHFTYXY -7.9 InChI=1/C1 2/5/3481 69475Cc1cc(N)cc(C)n1 2,6-DimethZJXMKPAR 192.5 InChI=1/C73512-80-9 69493C=CCC1CCCC1 CYCLOPENTNHIDGVQV -110.7 InChI=1/C83524-75-2 69505CCCC(=O)NN BUTRYIC AFCCCRBDJB 45.5 InChI=1/C43538-65-6 69525O=C(NCO)c1cccnc1 N-(HydroxyJRFKIOFLC 141.5 InChI=1/C73569-99-1 69554C[Si](C)(Cl)O[Si](C)(C)O[Si](ClTrisiloxaneGJIYNWRL -53 InChI=1/C63582-71-6 69569C(c3c1ccccc1c(Cc2ccccc2)c4c9,10-DibenFMVRRCDB 246.5 InChI=1/C23613-42-1 69597Cc1ccc(cc1)C(=O)NN BENZOYLHYMFFVZXOP 117 InChI=1/C83619-22-5 69607O=C(CCCCCCCCCCCCCCCCC) OctadecanoBTAXGNQL 28.9 InChI=1/C23634-92-2 69620[O-][N+](=O)C=C NitroethenRPMXALUW -55.5 InChI=1/C 3638-64-0 69627O=C(O)CCCCCCCCCCO UndecanoicKNRCBASN 65.5 InChI=1/C13669-80-5 69664Cc1ccnc(Cl)c1 PYRIDINE, MZVSTDHR 115 InChI=1/C63678-62-4 69673Oc2ccc(Br)cc2C(=O)Nc1ccc(Cl4'-CL-5-BR QBSGXIBY 240.5 InChI=1/C13679-64-9 69679c1nc(ccc1)c2nc(nc(n2)c3cccc1,3,5-TriaziKMVWNDHK 210 InChI=1/C13682-35-7 69682NC(=O)C(CCN1CCCCCC1)(c2ccBuzepide SLJXUJZUT 142.5 InChI=1/C23691-21-2 69696

Aldrich (1998) SC(c1ccccc1)(c2ccccc2)c3ccc BenzenemetJQZIKLPH 105 InChI=1/C13695-77-0 69703NCc1ccncc1 4-PYRIDI TXQWFIVR -7.6 InChI=1/C63731-53-1 69736Clc1cc(Cl)nc(n1)c2ccccc2 FENCLORI NRFQZTCQ 96.9 InChI=1/C13740-92-9 69755O=S1OCCO1 1,3,2-DioxaWDXYVJKN -11 InChI=1/C23741-38-6 69759Clc1cc(Cl)nc(Cl)n1 Pyrimidine,DPVIABCM 22.5 InChI=1/C43764-01-0 69792

Look Chem CN(C)[Si](C)(N(C)C)N(C)C SilanetriamAHKKZIUZ -11 InChI=1/C73768-57-8 69797CN(C)S(=O)N(C)C Sulfurous dHYIDEDUT 31 InChI=1/C43768-60-3 69799CC(C)CC1CCCC1 CYCLOPENTDPUYDFJB -115.2 InChI=1/C93788-32-7 69826O=C1C=C(CC1)c2ccccc2 2-CyclopenUHTNKICW -23 InChI=1/C13810-26-2 69834ClC(Cl)(Cl)C(Cl)C(Cl)(Cl)Cl Propane, 1,LZOUTMTX 11 InChI=1/C33849-33-0 69866O=C(O)CCC(=O)OC ButanedioiJDRMYOQE 58 InChI=1/C53878-55-5 69896

Fc2c(c1c(F)c(F)cc(F)c1F)c(F)c 1,1'-BiphenyQWCHHUZA 85 InChI=1/C13883-86-1 69901Brc1sc(Br)c(Br)c1Br THIOPHENEAVPWUAFY 117.5 InChI=1/C43958-03-0 69970O=[N+]([O-])c1cc(CBr)ccc1 Benzene, 1LNWXALCH 59.3 InChI=1/C73958-57-4 69973NCc1ccc(Br)cc1 4-Bromo-bXRNVSPDQ 20 InChI=1/C7 7/7/3959 69976Cc2ccccc2Oc1ccccc1 BENZENE, WCOYPFBM 21.7 InChI=1/C13991-61-5 70015O=C(N)c1ccccc1Br 2-BROMOBNHNAEZDW 160.5 InChI=1/C74001-73-4 70021Clc1c(OCC(=O)O)c(Cl)ccc1Cl 2,3,6-TrichGQOHYQAH 148 InChI=1/C84007-00-5 70030O=S(C)(=O)c1ccc(cc1)C(=O)OP-METHYLSAJBWNNKD 269.5 InChI=1/C84052-30-6 70071Oc1ccc(Cl)cc1C(=O)OC Benzoic aciKJWHRMZK 50 InChI=1/C84068-78-4 70085O=C(COC)c1ccccc1 Ethanone, YRNDGUSD 8 InChI=1/C94079-52-1 70099CCCCCCCCCCCCCCCCOCCCCCDihexadecyFDCJDKXC 55 InChI=1/C3 12/6/4113 70156O=C(NNC(=O)OCC)OCC 1,2-HydraziJXMLAPZR 135 InChI=1/C64114-28-7 70157C#CCCCCCCCC#C 1,10-UndecPZWZXAPX -17 InChI=1/C14117-15-1 70162

TOMLIN,CDS (1FC(F)(C(F)(F)C(F)(F)C(F)(F)C( SULFLURA CCEKAJIAN 96 InChI=1/C14151-50-2 70194Cc1ccc(cc1)C(=O)CCC 1-p-Tolyl- CIYAESDXU 12 InChI=1/C14160-52-5 70207O=[N+]([O-])c1cnc(N)cc1 2-PYRIDINAUGSBCCAH 187 InChI=1/C54214-76-0 70280O=C(Oc1ccccc1)CCCCCCCCCCLauric acidZPORCTAUI 24.5 InChI=1/C14228-00-6 70294c2cc(Cn1ccnc1)ccc2 1H-IMIDAZKKKDZZRI 69 InChI=1/C14238-71-5 70309

CRC O=C(C)O[Si](C)(OC(C)=O)OC( Triacetoxy TVJPBVNW 40.5 InChI=1/C74253-34-3 70319CC(C)SSC(C)C Isopropyl dLZAZXBXPK -69 InChI=1/C64253-89-8 70322CN(C(Cl)=O)c1ccccc1 Carbamic cCPGWSLFY 88.5 InChI=1/C84285-42-1 70358Clc1cc(C)nc2ccccc12 4-Chloro-2HQAIROMR 42.5 InChI=1/C1 6/1/4295 70361Nc1cnnc1 4-AMINOPAXINVSXS 81 InChI=1/C328466-26-4 70416OC(C(=O)OC)c1ccccc1 BenzeneacetITATYELQC 58 InChI=1/C94358-87-6 70444O=Cc1ccnc2ccccc12 Quinoline- MGCGJBXT 51 InChI=1/C14363-93-3 70450Oc1c(cccc1OC)CO 2-HydroxymOSZHSESN 61.5 InChI=1/C8 5/5/4383 70466Oc1cc(ccc1OC)CO 3-HYDROXWHKRHBLA 136 InChI=1/C8 6/6/4383 70467Oc1ccc(cc1OC)C#N BENZONITRQJRWLNLU 86 InChI=1/C8 8/3/4421 70511O=C(Cl)c1cc(cc(c1)C(Cl)=O)C(1,3,5-BenzeUWCPYKQB 36.3 InChI=1/C94422-95-1 70514CC(C)c1cc(C)ccc1O Phenol, 4- DSTPUJAJS 36.5 InChI=1/C14427-56-9 70529OCCNCCNCCO Ethanol, 2,GFIWSSUB 97.5 InChI=1/C64439-20-7 70555CCCCCCCCCCCCCCCCCCc1cccBenzene, oWSVDSBZM 29 InChI=1/C2 7/2/4445 70563CN(CCCCCCCC)CCCCCCCC 1-OctanamiYJLYANLCN -30.1 InChI=1/C14455-26-9 70578OC(=O)C2C(C(C2c1ccccc1)C(=Truxillic AcQWFRRFLK 228 InChI=1/C14462-95-7 70589Oc1ccc(cc1OC)CC#N 4-Hydroxy-SDVYWMWQ 56.5 InChI=1/C94468-59-1 70596Nc1cc(ccc1)C(=O)OC Benzoic aciVZDNXXPB 39 InChI=1/C8 10/9/4518 70646COc1ccc(CCCC(=O)O)cc1 P-METHOXYLZHMNCJM 57.5 InChI=1/C14521-28-2 70652O=C(O)c1cccc2cccc(Cl)c12 8-Chloro-nLNELFKSV 171.5 InChI=1/C14537-00-2 70667BrCCCCCCCBr Heptane, 1LVWSZGCV 41.7 InChI=1/C74549-31-9 70681BrCCCCCCCCBr Octane, 1, DKEGCUDA 15.5 InChI=1/C84549-32-0 70682C=C(C)CCCCCC 1-OCTENE,FBEDQPGLI -77.8 InChI=1/C94588-18-5 70705Brc1cncnc1 5-BROMOPGYCPLYCT 72 InChI=1/C44595-59-9 70714CC(C)(C)NCCO ETHANOL, IUXYVKZU 44 InChI=1/C64620-70-6 70731

CRC CCO[Si](Cl)(OCC)OCC Chloro-trieJEZFASCUI -51 InChI=1/C64667-99-6 70767Oc1cc(C)ccc1C(=O)OC 2-Hydroxy-UITFCFWKY 27.5 InChI=1/C94670-56-8 70769

O=C(O)C(C)(C)S Propanoic JTMBCYAU 47 InChI=1/C44695-31-2 70790C1CCCCCS1 THIEPANE JWCVYQRP 0.5 InChI=1/C64753-80-4 70858O=C(O)C(C)(CO)CO Propanoic PTBDIHRZ 190 InChI=1/C5 3/7/4767 70865Clc1cncc(Cl)n1 2-CHLORO-LSEAAPGIZ 56.5 InChI=1/C44774-14-5 70868Cc1c(cccc1OC)[N+]([O-])=O 1-MEO-2-MHQCZLEAG 55 InChI=1/C84837-88-1 70915O=C1CCCN1CCCCCC 1-HEXYL-2 BAWUFGW 4 InChI=1/C14838-65-7 70916O=C1CCC(CC1)c2ccccc2 CYCLOHEXAYKAYMASD 79.5 InChI=1/C14894-75-1 70962CCOc1ccc(cc1)CC(=O)O P-ETHOXYPZVVWZNFS 88.5 InChI=1/C14919-33-9 70988COc1cc(ccc1[N+]([O-])=O)OC2,4-DimethXXWIYOBC 76.5 InChI=1/C84920-84-7 70990NNc1ccccn1 2(1H)-Pyri NWELCUKY 46.6 InChI=1/C54930-98-7 71000Cc1ncccn1 PYRIMIDINLNJMHEJAY -4 InChI=1/C55053-43-0 71089CCCCc1ccccn1 PYRIDINE, ADSOSINJP 97 InChI=1/C95058-19-5 71090O=C2c1n(cnc1N(C)C(=O)N2C7-MorpholiHGLLQAPX 177 InChI=1/C15089-89-4 71112O=C(CCC(=O)O)OCCCC ButanedioiOGYSYXDN 8.6 InChI=1/C85150-93-6 71164CC1CCSCC1 2H-THIOPYMCSVISNP -28 InChI=1/C65161-17-1 71172Nc1cc2ccnc2cc1 5-AMINOI ZCBIFHNDZ 132 InChI=1/C85192-03-0 71202Nc1ccc(Cl)cc1C(=O)OC 2-AMINO- IGHVUURT 67 InChI=1/C85202-89-1 71213CC(c1ccccc1)(c2ccccc2)c3ccc1,1',1''-Et QIDUHGHF 95 InChI=1/C25271-39-6 71260CCCS(=O)(=O)O PropanesulKCXFHTAIC 7.5 InChI=1/C35284-66-2 71271C2OCC1(COCOC1)CO2 2,4,8,10-T BGCSUUSP 48.3 InChI=1/C7126-54-5 71284FC2(F)C3(F)C(F)(F)C(F)(F)C(F)TETRACOS QKENRHXG -20 InChI=1/C1306-91-2 71305FC1(F)C(F)(C(F)(F)C(F)(C(F)(F)PerfluorodLOQGSOTU -70 InChI=1/C8335-27-3 71308FC(Cl)(C(Cl)(Cl)C(F)(F)F)C(F)(FButane, 2,2ZPGMWBFC 4 InChI=1/C4335-44-4 71310FC(Cl)(C(Cl)(F)C(F)(F)F)C(F)(F)BUTANE, 2,LXANZHXW -68 InChI=1/C4355-20-4 71315FC(F)(N(C(F)(F)C(F)(F)F)C(F)(FPerfluoro-tCBEFDCMS -110 InChI=1/C6359-70-6 71319FC1CCCCC1 CyclohexaneGOBGVVAH 13 InChI=1/C6372-46-3 71321FC(F)(C(F)(F)C(F)(F)I)C(F)(F)I 1,4-Diiodo JILAKKYYZ -9 InChI=1/C4375-50-8 71326ClCC(Cl)F ETHANE, 1NDKGUMML -60 InChI=1/C2430-57-9 71337

BEYERLEIN,AL EFC(F)C(F)C(F)(F)F HFC-236eaFYIRUPZTY -156.1 InChI=1/C3431-63-0 71342CC=1CCC(C(C)C)C(=O)C=1O DiosphenolQSIMLPCP 83 InChI=1/C1490-03-9 71356OC2CC1CCC2C1 exo-NorborZQTYQMYD 124 InChI=1/C7497-37-0 71360

LIDE,DR ET AL.OC2CC1CCC2C1 2-NorbornaZQTYQMYD 125 InChI=1/C71632-68-4 71360OC2CC1CCC2C1 endo-NorbZQTYQMYD 149 InChI=1/C7497-36-9 71360OC2C(O)C(O)C1COC2O1 LevoglucosTWNIBLMW 183 InChI=1/C6498-07-7 71361CC3(C)C1CC2C(C1)C23C Tricyclene RRBYUSWB 67.5 InChI=1/C1508-32-7 71367CN2C1CC(=O)CC2CC1 8-AZABICYQQXLDOJGL 43 InChI=1/C8532-24-1 71370CCC(O)CCCCCCCCCCCCC Hexadecan-ACDUHTSV 50 InChI=1/C1593-03-3 71384BrC(Cl)F METHANE,YNKZSBSR -115 InChI=1/CH593-98-6 71390BrC(C)(C)C(Br)C 2,3-DibromXLTWAJQK 7 InChI=1/C5594-51-4 71392O=C(C)OC1OC(COC(C)=O)C(O.ALPHA.-D LPTITAGPB 113.3 InChI=1/C1604-68-2 71396O=C(C)OC1OC(COC(C)=O)C(Obeta-D-gluLPTITAGPB 134 InChI=1/C1604-69-3 71396BrC(C)CCCBr Pentane, 1CNBFRBXEG -34.4 InChI=1/C5626-87-9 71414C/C(C)=N\N=C(/C)C 2-PROPANOPFLUPZGC -12.5 InChI=1/C6627-70-3 71417O=C(OCC)C(C(C(=O)OCC)C(= 2,3-Bis-ethUQSBVZIX 77 InChI=1/C1632-56-4 71422BrC(Cl)C(Br)Cl ETHANE, 1RJMDFMUP -26 InChI=1/C2683-68-1 71424

Aldrich (1998) CCCCC(CC)C(Cl)=O Hexanoyl chWFSGQBNC 67.5 InChI=1/C8760-67-8 71434CC(O)C1CC1 CyclopropaDKKVKJZX -32.1 InChI=1/C5765-42-4 71435CC1(C)CC(O)CCC1 CyclohexanDQBDGNSF 11.5 InChI=1/C8767-12-4 71436CC1CCS(=O)(=O)C1 3-METHYL CMJLMPKF 1 InChI=1/C5872-93-5 71450SCCCCS 1,4-ButanedSMTOKHQO -53.9 InChI=1/C41191-08-8 71479

LIDE,DR ET AL.O=C3C=CC(=O)C2C3C1C=CC21,4-MethanFQLRTGXT 77.5 InChI=1/C11200-89-1 71481OS(=O)(=O)c1ccc(cc1)c2ccc(c1,1'-BiphenABSXMLOD 72.5 InChI=1/C15314-37-4 71527c2cc1CCCCc1c3CCCCc23 PHENANTHRYSZLFGZFQ 16.7 InChI=1/C15325-97-3 71546COc1cc(cc(c1)[N+]([O-])=O)[ Benzene, 1OTMLGCBM 105.3 InChI=1/C75327-44-6 71556Brc1ccc2ncccc2c1 6-BROMOQIFIHYLCUK 24 InChI=1/C95332-25-2 71568OC(=O)CC(C)(CC)CC(=O)O 3-Ethyl-3- XAWFHZMT 87 InChI=1/C8 1/7/5345 71614Nc1cc(Cl)c(Cl)cc1N 4,5-DICHL IWFHBRFJ 160.5 InChI=1/C65348-42-5 71619N\N=C(/c1ccccc1)c2ccccc2 METHANONEQYCSNMDO 96.5 InChI=1/C15350-57-2 71626O=[N+]([O-])c1ccc(Cl)cc1C 4-Chloro-2NSMZCUAV 25.5 InChI=1/C75367-28-2 71649CC(=O)c1ccc(Br)s1 1-(5-BromoIGBZCOWX 94.5 InChI=1/C65370-25-2 71655CCSCCSCC 3,6-Dithia DCXDVGKT 180 InChI=1/C65395-75-5 71694CCCCCCCCCCCCCCCCC#N HeptadecanZXPWFWWS 34 InChI=1/C15399-02-0 71707CC(C)S(=O)(=O)O Propane-2-sHNDXKIMM -37 InChI=1/C314159-48-9 71711Cc2ccccc2NCc1ccccc1 Benzyl-o-t QFRIIGBAH 60 InChI=1/C15405-13-0 71721Cc2ccc(NCc1ccccc1)cc2 Benzyl-p-t KEVOWRWH 19.5 InChI=1/C15405-15-2 71722COc1ccc(CCCO)cc1 3-(4-MethoNIIDHUCLR 26 InChI=1/C15406-18-8 71725Clc1cc(C)nc(Cl)n1 Pyrimidine,BTLKROSJ 46.5 InChI=1/C55424-21-5 71784COc1ccc(cn1)[N+]([O-])=O 2-METHOXYWUPLOZFI 108.5 InChI=1/C65446-92-4 71835Clc1cc2nccnc2cc1 6-CHLORO HOOMNCIT 64 InChI=1/C85448-43-1 71844CCCCCCCOC(=O)CCCC Pentanoic aYJARPRLG -46.4 InChI=1/C15451-80-9 71852CCCCCCCCOC(=O)CCCC Pentanoic aOUYCCOBI -42.3 InChI=1/C15451-85-4 71853[O-][N+](=O)c1ccc(cc1)C2CC 1-CyclohexFUVKJYZTE 58.5 InChI=1/C15458-48-0 71872Cc1c(C)c(c(C)c(C)c1[N+](=O)[1,2,4,5-Te AEPQXGFM 211.5 InChI=1/C15465-13-4 71900Clc1ccc(CC(C)(C)O)cc1 1-(4-Chlor WAAJRPRS 34 InChI=1/C15468-97-3 71916O=C(OCC)N1CCN(CC1)C(=O) 1,4-PiperazNAEAAGUL 47 InChI=1/C15470-28-0 71922O=Cc1ccc2ccccc2n1 2-QUINOL WPYJKGWL 71 InChI=1/C15470-96-2 71926CC(C(=O)O)(c1ccccc1)c2cccc A,A-DIPHE ODELFXJU 176 InChI=1/C15558-66-7 71976O=C(O)CCCCCc1ccccc1 6-PHENYLCJTXZPQIXI 23 InChI=1/C15581-75-9 71995c3cccc4ccc(SSc1cc2ccccc2cc1Disulfide, SUPMWVVV 139.5 InChI=1/C25586-15-2 71997C1CCCCCCCN1 1H-AZONINNRHDCQLC -19 InChI=1/C85661-71-2 72041CCc1cccc(c1)c2ccccc2 3-ETHYL-1,HUXKTWJQ -27.5 InChI=1/C15668-93-9 72051Cc1c(cccc1OC)OC 1,3-DIMETFPEUDBGJ 40 InChI=1/C9 7/4/5673 72054OCCCCCCCCCCCCO 1,12-DODEGHLKSLMM 81.3 InChI=1/C15675-51-4 72056OCC(NCC(O)=O)(CO)CO Tricine SEQKRHFR 187 InChI=1/C6 4/1/5704 72078COc1cc(ccc1)C(=O)NN BENZOYLHVMZSDAQE 94 InChI=1/C8 6/8/5785 72141O=C(CC)c1ccc(O)cc1O 1-(2,4-Dih LLBBBYLD 99 InChI=1/C95792-36-9 72148Nc1ccc(Br)cc1C(=O)O 5-BromoantCUKXRHLW 219.5 InChI=1/C75794-88-7 72150O=C(NN)c1ccccc1Cl BENZOYLHYKPPNLSKV 119 InChI=1/C7 5/1/5814 72174O=C(C)Nc1cccnc1 3-ACETAMIJVYIBLHBC 133 InChI=1/C75867-45-8 72235Br\C=C(\Cl)Cl 2-Bromo-1,OEKZZIRTA -88.5 InChI=1/C25870-61-1 72238

ClCC1CC1 ChloromethZVTQWXCK -90.9 InChI=1/C45911-08-0 72268Nc1ccc(Cl)cc1C#N BenzonitrilQYRDWARB 97 InChI=1/C75922-60-1 72274Clc1cc(N)cc(Cl)c1O Phenol, 4- KGEXISHT 168 InChI=1/C65930-28-9 72291CC(C)(C)SSSSC(C)(C)C Di-tert-butNHHSUCWH 2.3 InChI=1/C85943-35-1 72299CCCCCCC(=O)CCCCC 6-DODECAZAQZICGO 10 InChI=1/C16064-27-3 72411[O-][N+](=O)CCc1ccccc1 B-NITROETXAWCLWK -23 InChI=1/C86125-24-2 72452O=C(C)c1cccc(C#N)c1 M-CYANOASBCFGFDA 99 InChI=1/C96136-68-1 72466

Daubert, TE & OP(O)(=O)CCP(=O)(O)O Phosphonic XYJLPCAKK 218 InChI=1/C26145-31-9 72489COc1cc(ccc1)c2cccc(OC)c2 1,1'-BIPHE UCHNVSDX 36 InChI=1/C16161-50-8 72507

Tomlin FC(F)C(F)(F)OCC(Cn1cncn1)c2TetraconazLQDARGUH 6 InChI=1/C1112281-77-3 72518CCCCCCCCCCCCCCCCCCCO 1-NONADEXGFDHKJU 63.3 InChI=1/C11454-84-8 72522Oc1ccccc1C2CCCC2 2-CyclopenJHEKSKQM 34.5 InChI=1/C11518-84-9 72526O=C(OCC)C(\C(=O)OCC)=C(/ ETHENE TEIYHFWCBVJ 58 InChI=1/C16174-95-4 72550CCCCCC(=O)CC(C)=O Nonane-2,4KFBXUKHE -18 InChI=1/C96175-23-1 72551CC(Cl)(C)CCC(C)(C)Cl Hexane, 2,5HSTAGCWQ 67.5 InChI=1/C86223-78-5 72589CN(C)C(=O)CCCC PentanamidBNODIVYX -51 InChI=1/C7 6/5/6225 72594SCc1ccc(Cl)cc1 4-CHLOR-BGKQXPTHQ 19.5 InChI=1/C76258-66-8 72625O=C(OCC)C(C(=O)OCC)C(=O) 2-EthoxycarAGZPNUZB 29 InChI=1/C16279-86-3 72680OC(=O)c1ccc(Cl)cc1[N+]([O-] 2-NITRO-4 JAHIPDTW 144 InChI=1/C76280-88-2 72684NNC(=O)OC HydrazinecaWFJRIDQGV 73 InChI=1/C26294-89-9 72718CN1CSCSC1 5-Methyl-[1QMWSBGCI 65 InChI=1/C46302-94-9 72742NNC(=O)CCCCCCC OCTANOIC VMUZVGRN 88 InChI=1/C86304-39-8 72749CC(=O)c1ccc(Cl)s1 1-(5-Chlor HTZGPEHW 52 InChI=1/C6 9/4/6310 72763CCC(=O)c1ccc2ccccc2c1 Ethyl 2-na QLYPHTMK 60 InChI=1/C16315-96-4 72778O=CNC(C(=O)OCC)C(=O)OCC 2-FormylamPFLHGSJLY 48.5 InChI=1/C86326-44-9 72806Nc1ccc(cc1)C2CCCCC2 BENZENAMIJLNMBIKJ 54.5 InChI=1/C16373-50-8 72918O=C(CCCCCCCCCCCCCCCCC) OctadecanoiMOQRZWSW 30 InChI=1/C26382-13-4 72953Nc1c(cccc1Cl)C(=O)O 2-Amino-3-LWUAMROX 190 InChI=1/C76388-47-2 72961O=C2c1ccccc1C(=O)c5c2c(N)c1,4-diAm-2NZTGGRGG 195 InChI=1/C2SRC003-67-2 72986Cc2cc3C(=O)c1ccccc1C(=O)c 9,10-ANTHKIJPZYXCI 210.8 InChI=1/C16531-35-7 73095Clc1nc(NCC)nc(NCC(=O)OCC)Eglinazine YESXTECN 228 InChI=1/C96616-80-4 73159Oc1ccc(Br)c(O)c1 4-BROMORMPCCNXGZ 103 InChI=1/C66626-15-9 73172Oc1c(cccc1CCC)CCC 2,6-DipropNAILKKRD 27 InChI=1/C16626-32-0 73174Nc1cc(C)nc2ccccc12 2-Methyl-qCOCFIBRM 169 InChI=1/C1 4/2/6628 73183Nc1cnc(OC)cc1 6-Methoxy-UUVDJIWRS 30 InChI=1/C66628-77-9 73188O=C3C=C(Nc1ccccc1)C(=O)c21,4-NAPHTOPECBHGH 193 InChI=1/C16628-97-3 73191CC(C)(C)Oc1ccccc1 BENZENE, PNKZBZPLR -24 InChI=1/C16669-13-2 73242O=C(CCCCCCCCCCCCCCC)c1ccHEXADECAIIOLAWJM 59 InChI=1/C2 12/7/6697 73254C=C(C)CC\C=C(/C)C 1,5-HeptadDONSTYDP -70 InChI=1/C96709-39-3 73261Oc1ccc(C)cc1CCCC 2-Butyl-4- FEXBEKLL 19 InChI=1/C16891-45-8 73369O=C(CCl)OCCOC(=O)CCl Chloro-acetHIIBHBNR 45.5 InChI=1/C66941-69-1 73413O=[N+]([O-])c1c(ccc(C)c1O)C3-Hydroxy-HEKGHQKE 186 InChI=1/C86946-15-2 73422Oc2ccc3c1ccccc1C(=O)c3c2 2-Hydroxy-GXUBPHMY 205 InChI=1/C16949-73-1 73434NC(=O)Nc2cccc1ccccc12 NaphthalenFVSUYFWW 219.5 InChI=1/C16950-84-1 73435O=C(OCC)c1ccc2OCOc2c1 1,3-BenzodiJGHXNKLH 18.5 InChI=1/C1 8/2/6951 73439

CCCCCCCOC(=O)CCCCC Hexanoic acQEKCBKVW -34.4 InChI=1/C16976-72-3 73507COc1ccccc1CC#N (2-MethoxyDWJKILXT 69.8 InChI=1/C9 3/2/7035 73531

ALDRICH (2000COc1cc(cc(Cl)c1)OC Benzene, 1WQHNWJBS 35 InChI=1/C87051-16-3 73537Merck (avg) N#CC(=C)C(=O)OCC Ethyl 2-cyaFGBJXORE -22.5 InChI=1/C67085-85-0 73564

O=[N+]([O-])c1ccc(Br)cc1C 4-Bromo-2-PAHAIHXV 78 InChI=1/C77149-70-4 73607c1ccc(cc1)n2ccnc2 1-Phenyl-1SEULWJSK 13 InChI=1/C97164-98-9 73625O=C(O)CCOc1ccccc1 3-Phenoxy-BUSOTUQR 97.5 InChI=1/C97170-38-9 73626O=S(=O)(CCl)c1ccccc1 CHLOROMENXAIQSVC 54 InChI=1/C77205-98-3 73654NCCCN1CCN(CCCN)CC1 1,4-PIPER XUSNPFGL 15 InChI=1/C17209-38-3 73658CCCCCCCCCCCN N-UNDECYQFKMMXYL 17 InChI=1/C17307-55-3 73758COc1cc(cc(OC)c1)C=O 3,5-DimethVFZRZRDO 46.3 InChI=1/C97311-34-4 73763

Daubert, TE & N#CCN(CC#N)CC#N AcetonitrileLJAIDEYQV 126 InChI=1/C67327-60-8 73778ClC(Cl)c1ccc(cc1)C(Cl)Cl 1,4-Bis-di VOWDXSFJ 9.5 InChI=1/C87398-82-5 73892CP(=O)(Oc1ccccc1)Oc2ccccc2Phosphonic HPUPGAFD 35 InChI=1/C17526-26-3 74030

Merck Index O=C(O)c1ccc(cc1)C(=C)c2cc3cBexaroten NAVMQTYZ 230.5 InChI=1/C2153559-49-0 74139Nc1cc(Br)c(C)cc1 3-Bromo-4-GRXMMIBZ 26 InChI=1/C77745-91-7 74169Cc1ccc(cc1Br)[N+]([O-])=O 3-Bromo-4-XFZFJQHX 78 InChI=1/C77745-93-9 74171Cc1ccc(O)c2ccccc12 1-NAPHTHAZSUDUDXO 85.8 InChI=1/C110240-08-1 74440C1=CCCC=CCC1 CYCLOOCTAVYXHVRAR -56.4 InChI=1/C8111-78-4 74815O=C(c1cc(O)ccc1)c2ccccc2 P-HYDROXSHULEACX 133.5 InChI=1/C11137-42-4 74922O=[N+]([O-])c1cccc(C)c1O 2-METHYL-AQDKZPFD 70 InChI=1/C713073-29-5 74972NC(=O)Nc1ccc2ccccc2c1 NaphthalenMRSYBIDU 219 InChI=1/C113114-62-0 75020

Kirk-Othmer CC(C)(C)O[Si](OC(C)=O)(OC(CDi-tert-butOPARTXXE -4 InChI=1/C113170-23-5 75065CSc1ccc(cc1)C(=O)O P-METHIOBKWHCPERW 194.5 InChI=1/C813205-48-6 75095Cc1cc(ccc1Cl)[N+]([O-])=O Benzene, 1BGDCQZFF 42.5 InChI=1/C713290-74-9 75176CC(C)(CO)Cc1ccccc1 2,2-DimethVNGAHMPM 34.5 InChI=1/C113351-61-6 75226O=C2c1n(cnc1N(C)C(=O)N2CETOFYLLINZWIAODBB 151.5 InChI=1/C113425-39-3 75285Clc1c(C)ccc(Cl)c1O 2,6-Dichlo SXHLRMKA 28 InChI=1/C713481-70-4 75355CC(C)(CCl)C(=O)O Propanoic aYBJGQSNS 41.5 InChI=1/C513511-38-1 75374

Aldrich (1998) CC(C)(C)C(=O)CCl 1-MonochloULSAJQMH -13 InChI=1/C613547-70-1 75402CC(=O)c1ccc(C)s1 1-(5-MethyYOSDTJYM 27.5 InChI=1/C713679-74-8 75479S=C(SN1CCOCC1)N2CCOCC2 MorpholineHOEFWOBL 139 InChI=1/C913752-51-7 75523OC(=O)c1cc(Cl)c(cc1Cl)C(=O) 2,5-DichlorLMOSYFZL 306 InChI=1/C813799-90-1 75561Brc1cnnc1C 4-Bromo-3-IXQPRETW 76.5 InChI=1/C413808-64-5 75563CC(=O)OCC(=O)O ACETOXYACMLXDUYUQ 67.5 InChI=1/C413831-30-6 75587

Tomlin (2003) C\C(C)=C/C3C(C(=O)OCN2C( PHTHALTHCXBMCYHA 69 InChI=1/C17696-12-0 75773O=C(c2cnoc2C1CC1)c3ccc(cc3Isoxaflutol OYIKARCX 140 InChI=1/C1141112-29-0 75869

Aldrich (1998) Cc1nc(NC(=O)CC)sc1Cl PropanamideQHLFJSMA 159 InChI=1/C713915-79-2 75873Oc1ccc(Cl)cc1CC=C 2-Allyl-4-c NQZKLVHW 48 InChI=1/C913997-73-4 75911Cc1ccc(cc1)C(=O)N(C)C BENZAMIDEULKWBVNM 41 InChI=1/C114062-78-3 75941O1CCOCCOCCOCCOc2ccccc1BENZO-15-FNEPSTUX 79 InChI=1/C114098-44-3 75956O1CCOCCOCCOc3ccccc3OCC[4,4]DB24 UNTITLLXX 104 InChI=1/C214174-09-5 75995Clc2nnnn2c1ccccc1 1-PHENYL-DHELIGKV 123 InChI=1/C714210-25-4 76019Cc1cc2ccsc2cc1 BENZO[B]TDOHZWDWN 20.5 InChI=1/C914315-14-1 76088CCCCCCCC(=O)CCC Undecan-4NBSLHMOS 4.5 InChI=1/C114476-37-0 76196

CRC C[Si](C)(C)C#C[Si](C)(C)C SILANE, 1, ZDWYFWIB 26 InChI=1/C814630-40-1 76286CCCCCCCCCCCCCCCCCc1ccccBenzene, hZMPPFNHW 32 InChI=1/C214752-75-1 76342O=C(O)COc1c(F)c(F)c(F)c(F)c PentafluorSMXPFEBIA 109 InChI=1/C814892-14-9 76390CCC#CCCCC 3-OCTYNE UDEISTCPV -103.9 InChI=1/C815232-76-5 76541O=Cc1ccc(OC)c2ccccc12 4-Methoxy-MVXMNHYV 34.8 InChI=1/C115971-29-6 76852Cc1cccc2nccc12 4-MethylinPZOUSPYU 5 InChI=1/C916096-32-5 76913Nc1cc(OC)ccc1[N+]([O-])=O 3-AMINO-4QEHVRGAC 131 InChI=1/C716133-49-6 76929O=C(O)CCOc2cccc1ccccc12 PROPANOICJPLBWCCE 146.5 InChI=1/C116563-41-0 77103ClS(=O)(=O)c1cccs1 2-ThiophenVNNLHYZD 28 InChI=1/C416629-19-9 77127BrCCCCCCCCCCCBr 1,11-Dibr SIBVHGAP 166 InChI=1/C116696-65-4 77156C[SiH](OC)OC Silane, di WOUUFVMQ -136 InChI=1/C316881-77-9 77223C(CCC1CCNCC1)C2CCNCC2 Piperidine,OXEZLYIDQ 67.1 InChI=1/C116898-52-5 77230COc1cccc(OC)c1C#N 2,6-DimethXHAHKSSLD 119 InChI=1/C916932-49-3 77244O=C1OC(=O)C2CCCCC12 1,3-IsobenMUTGBJKU 32 InChI=1/C885-42-7 77282OC2C1CCC(C1)C2O cis-exo-2, HNMVZUWX 139 InChI=1/C716329-23-0 77326OC2C1CCC(C1)C2O exo-2-endoHNMVZUWX 141 InChI=1/C714440-78-9 77326CC(O)CCCCCCCCCCCCCC 2-HEXADE FVDRFBGM 44 InChI=1/C114852-31-4 77368O=C2CCCCCC2c1ccccc1 2-Phenyl-cPVHNKILP 22.2 InChI=1/C114996-78-2 77381

Merck COc1cc(C)c(cc1CC(C)N)OC 2,5-DIME NTJQREUGJ 60.75 InChI=1/C115588-95-1 77462NCC1(C)CC(C)(C)CC(O)C1 CyclohexanYFEAYNIM 45.5 InChI=1/C115647-11-7 77476OC(C)(CC(C)(C)O)c1ccc(Cl)cc1FenpentadiSNJDSTGQY 76.5 InChI=1/C115687-18-0 77482C/C(C)=C1/CCC2=CC(=O)CC(C2(3H)-NaphNIIPDXITZ 51.5 InChI=1/C115764-04-2 77489OCC(O)C1OC2OC(OC2C1O)C(ClCHLORALOOJYGBLRP 183 InChI=1/C815879-93-3 77572CC1=CCCC1C CYCLOPENTRIICRLQIU -118 InChI=1/C716491-15-9 77595O=C(O)C1CCCO1 2-FURANCAUJJLJRQIP 21 InChI=1/C516874-33-2 77659OC(Cn1cncn1)(CCc2ccc(Cl)cc2TEBUCONAPXMNMQRD 102.4 InChI=1/C1107534-96-3 77680C/C(C)=N\OCCOC(=O)C(C)Oc1cPROPAQUIFROBCXTUL 66.3 InChI=1/C2111479-05-1 77697

Tomlin (2003) OC(Cn1cncn1)(C(C)C2CC2)c3cCyproconazUFNOUKDB 106.65 InChI=1/C194361-06-5 77706O=C(O)C2CC2C(=O)Nc1ccc(Cl)CyclanilideDIOZMSAC 195.5 InChI=1/C1113136-77-9 77707O=C(O)C(C)Oc1ccc(cc1)Oc2ncFENOXAPRMPPOHAUS 158 InChI=1/C1113158-40-0 77708CC1(N=C(NC1=O)c2ncc(COC)cImazamox NUPJIGQFX 166 InChI=1/C1114311-32-9 77711Clc3ccc(CCC(Cn1cncn1)(C#N)FenbuconaRQDJADAK 125 InChI=1/C1114369-43-6 77712Clc1ccc(cc1)Oc2ccc(c(Cl)c2 DifenoconaBQYJATMQ 76 InChI=1/C1119446-68-3 77730O=C(OCC1CCCO1)C(C)Oc4ccc(QUIZALOFOBBKDWPHJ 64 InChI=1/C2119738-06-6 77732O=C(N1CC(OC1(C)C)c2ccco2)CFurilazole MCNOFYBI 97 InChI=1/C1121776-33-8 77743

Tomlin (2003) O=C(OCCCC)C(C)Oc1ccc(cc1)Cyhalofop-TYIYMOAH 49.5 InChI=1/C2122008-85-9 77744Clc1ccc(cc1)CC3CCC(C)(C)C3 METCONAZXWPZUHJB 111.5 InChI=1/C1125116-23-6 77764Clc1ccc(cc1)CC3CCC(C(C)C)C IPCONAZOQTYCMDBM 89 InChI=1/C1125225-28-7 77765O=C(OCC)C(Cl)Cc1cc(c(F)cc1 Carfentraz MLKCGVHI -22.1 InChI=1/C1128639-02-1 77773

ALDRICH (2003CC(C)(O)C(=O)c1ccc(OCCO)cc1-PropanonGJKGAPPUX 89 InChI=1/C1106797-53-9 77809Tomlin (2003) Clc2cc(ccc2NS(=O)(=O)c1cc(c(Flusulfami GNVDAZSP 170 InChI=1/C1106917-52-6 77811

Cc2cc(nc(Nc1ccccc1)n2)C#CCMEPANIPYCIFWZNRJI 132.8 InChI=1/C1110235-47-7 77839CC(C)(C)c1nc(SCC(=O)OCC)n(TriazamateNKNFWVNS 53 InChI=1/C1112143-82-5 77849O=C(NN(C(=O)c1ccccc1)C(C)(1,2-DIBEN NISLLQUWI 178.5 InChI=1/C1112225-87-3 77850Cl\C(Cl)=C/C2C(C(=O)OCc1c(FTransfluthrDDVNRFND 32 InChI=1/C1118712-89-3 77870

FC(F)(F)C(F)(F)COCc1cc(ccc1 Flupoxam AOQMRUTZ 146 InChI=1/C1119126-15-7 77871Clc2c(C(=O)NCc1ccc(cc1)C(C)TebufenpyZZYSLNWG 61.5 InChI=1/C1119168-77-3 77872Cn1nc(nn1)c2cnn(C)c2S(=O) AzimsulfurMAHPNPYY 170 InChI=1/C1120162-55-2 77873CC(C)(C)c1ccc(cc1)CCOc3ncnFENAZAQUDMYHGDXA 78.5 InChI=1/C2120928-09-8 77874Cc2cc(nc(Nc1ccccc1)n2)C3CCCGA 21941HAORKNGN 75.9 InChI=1/C1121552-61-2 77885CS(=O)(=O)Nc1cc(c(Cl)cc1Cl Sulfentraz OORLZFUT 122 InChI=1/C1122836-35-5 77887FC(F)(F)c2nc(C)sc2C(=O)Nc1c(Thifluzami WOSNCVAP 178 InChI=1/C1130000-40-7 77907N#Cc3cncc3c1cccc2OC(F)(F) FLUDIOXONMUJOIMFV 199.8 InChI=1/C1131341-86-1 77916O=C(SC)c1cccc2nnsc12 CGA 24570UELITFHSC 132.9 InChI=1/C8135158-54-2 77928O=C(O)c1cccc(C)c1S(=O)(=O)TRIFLUSULAKTQJCBO 161.5 InChI=1/C1135990-29-3 77932Clc4ccc(N1C(=O)c3cc(F)ccc3 FluquinconIJJVMEJXY 192 InChI=1/C1136426-54-5 77933

Tomlin (2003) [O-][N+](=O)/N=C2\NCCN2Cc1IMIDACLOPYWTYJOPN 144 InChI=1/C9138261-41-3 77934Clc3c(C)ccc(Cl)c3NS(=O)(=O MetosulamVGHPMIFE 211 InChI=1/C1139528-85-1 77938O=C(COc1nnc(s1)C(F)(F)F)N(cFluthiamidIANUJLZYF 76 InChI=1/C1142459-58-3 77944O=S(=O)(c1ccc(C)cc1)C2(CC2Methyl (1- GQFAQGSQ 97.2 InChI=1/C1145348-19-2 77959CCOC(=O)C1(CC1)S(=O)(=O)c2Ethyl (1-(4 WPUICWRU 75.5 InChI=1/C1145348-20-5 77960CC(C)OC(=O)C1(CC1)S(=O)(=OIsopropyl (RHDLXXXP 65.5 InChI=1/C1145348-21-6 77961O=S(=O)(c1ccc(Cl)cc1)C2(CC Methyl (1- MKKNYRRA 115.5 InChI=1/C1145348-22-7 77962CC(C)OC(=O)C1(CC1)S(=O)(=OIsopropyl (SAFRSRKB 89.8 InChI=1/C1145348-23-8 77963CC(C)(C)OC(=O)C1(CC1)S(=O)(tert-Butyl GMJAXKKU 110.5 InChI=1/C1145348-24-9 77964O=S(=O)(c1ccc(Br)cc1)C2(CC Methyl (1- IPABBDLXS 123.5 InChI=1/C1145348-25-0 77965O=S(=O)(c1ccc(cc1)[N+]([O- Methyl (1-(JPEDHHGX 127 InChI=1/C1145348-26-1 77966CC(C)OC(=O)C1(CC1)S(=O)(=OIsopropyl (WUAIGAOS 122.7 InChI=1/C1145348-27-2 77967O=C(OC)c3cccc(Cl)c3NS(=O)(CLORANSUBIKACRYIQ 217 InChI=1/C1147150-35-4 77968O=S(=O)(c1ccc(cc1)[N+]([O- Isopropyl (XWDINLQQ 65.5 InChI=1/C1160790-03-4 77976O=S(=O)(c1ccc(cc1)[N+]([O- Isopropyl (DUNHJGJBR 110.5 InChI=1/C1160790-04-5 77977O=S(=O)(c1ccc(cc1)[N+]([O- Isopropyl (RWOBYZRH 83.5 InChI=1/C1160790-05-6 77978COC(=O)C1(CCC1)S(=O)(=O)c2Me (1-(4-bDXGXTGYXC 95 InChI=1/C1160790-06-7 77979O=S(=O)(c1ccc(Br)cc1)C2(CC Me (1-(4-bFRWFRRPX 111.5 InChI=1/C1160790-08-9 77980COC(=O)C1(CCC1)S(=O)(=O)c2Me (1-(4-c GWBJAJHN 76.2 InChI=1/C1160790-09-0 77981O=S(=O)(c1ccc(Cl)cc1)C2(CC Isopropyl (AWDYZLGQ 92.5 InChI=1/C1160790-10-3 77982O=S(=O)(c1ccccc1)C2(CCCC2 Methyl (1- AXNXBYAM 56.5 InChI=1/C1160790-18-1 77983

CRC (2008) O=[N+]([O-])OC(CO[N+](=O)[OMannitol HDGMJZELB 107 InChI=1/C615825-70-4 78021CC(C)C(C)CCC(C)C2CCC1C3= ERGOST-7-EPUGBZUWU 146 InChI=1/C2516-78-9 78023CC(=O)C1CCc2ccccc2C1=O 2-Acetyl-3 BSELJBOM 56 InChI=1/C117216-08-9 78039N#CCC(CC)C#N ButanedinitGDCJAPJJF -41 InChI=1/C617611-82-4 78101C/C(C)=C1/CCC2(C1)C(C)=CC Spiro 4.5 ISLOGSAE 44.5 InChI=1/C118444-79-6 78238CC2(C)C1CCC2(C)C(=O)C1C(=4,7,7-TRI XNMVAVGX 127.5 InChI=1/C118530-30-8 78258CC(CC)CC(O)CC 3-HEPTANOSECKOSOT -91.2 InChI=1/C818720-65-5 78280CC(C)C(CC)CCC(C)C1CCC2C3 STIGMAST-5KZJWDPNR 140 InChI=1/C283-46-5 78319CC(C)C(CC)CCC(C)C1CCC2C3 gamma-SitoKZJWDPNR 147 InChI=1/C283-47-6 78319Cc1cc(cc(C)c1)c2ccccc2 3,5-DimethQUHIUAFQ 22.5 InChI=1/C117057-88-4 78418C#CC1(O)CCCC1 CyclopentanLQMDOONL 27 InChI=1/C717356-19-3 78543Clc1ccc2ccnc2c1 6-CHLORO YTYIMDRW 90 InChI=1/C817422-33-2 78578O=S(=O)(SCC(CSS(=O)(=O)c1cBENSULTAYFXPPSKY 83.5 InChI=1/C117606-31-4 78640

Kirk-Othmer (aO=C(C)O[Si](OC(C)=O)(OC(=OEthyltriaceKXJLGCBCR 8 InChI=1/C817689-77-9 78701Cc1cc(c(C)cc1O)C(C)(C)C Phenol, 4-(ZSPDNAYH 71.2 InChI=1/C117696-37-6 78706Clc1ccc(O)c(Cl)c1C Phenol, 2,4GIXSFSVVK 58 InChI=1/C717788-00-0 78755O=C(N)c1c(F)cccc1F 2,6-DIFLU AVRQBXVU 146.5 InChI=1/C718063-03-1 78873

CRC ClC(Cl)[Si](C)(C)Cl Silane, chl OICVMMJH -48 InChI=1/C318171-59-0 78926CCC(=O)CCCCCCCCCCCCCCC 3-OCTADE LMCGARAP 51 InChI=1/C118261-92-2 78964CCCCCCCCCCCCCCCCCC[SiH3OctadecylsYTJSFYQNR 29 InChI=1/C118623-11-5 79148CCC(=O)CCCCCCCCCCCCC 3-HexadecLTMXHUUH 43 InChI=1/C118787-64-9 79201CC(C)(C)c1ccc2cc3ccccc3cc2 2-(tert-ButWBPXZSIK 147 InChI=1/C118801-00-8 79211Oc1cc(O)ccc1CCC 4-Propyl-b DJDHQJFHX 82.5 InChI=1/C918979-60-7 79278S=P1(SP(=S)(S1)c2ccc(OC)cc2Lawesson'sCFHGBZLN 229 InChI=1/C119172-47-5 79346OCC(CO)(CBr)CO MONOBROMMMHHBAUI 76 InChI=1/C519184-65-7 79351Nc1cc2cnnc2cc1 1H-INDAZOXBTOSRUB 176.5 InChI=1/C719335-11-6 79400Oc1cc(ccc1)C(=O)OC METHYL MYKUCHDXI 73 InChI=1/C819438-10-9 79453O=Cc1c2ccccc2ccc1OCC 2-Ethoxy-nIMNKQTWV 115 InChI=1/C119523-57-0 79481OCCCCCCCCCCCCCCO 1,14-Tetra XLKZJJVNB 85.8 InChI=1/C119812-64-7 79622OCCc1ccccc1C BenzeneethRUGISKOD 2 InChI=1/C919819-98-8 79628Clc1cc(cc(Cl)c1Cl)[N+]([O-])= 1,2,3-TrichHHLCSFGO 72.5 InChI=1/C620098-48-0 79719O=C(CC)OCCCCCC Propanoic aGOKKOFHH -57.5 InChI=1/C92445-76-3 79806Ic1cc(ccc1)c2ccccc2 1,1'-BiphenKAQUBIAT 26.5 InChI=1/C120442-79-9 79889O=C(O)c1ccc(CCCC)cc1 4-BUTYLBEJFKUBRAO 106.5 InChI=1/C120651-71-2 79969ClCc1ccc2OCOc2c1 1,3-BenzodiDWSUJONS 20.5 InChI=1/C820850-43-5 80048N#Cc1ccc(N)cc1Cl 4-Amino-2-ZFBKYGFPU 118 InChI=1/C720925-27-3 80062OC(CCCCCCCC)C(O)CCCCCCC9,10-DihydrVACHUYIR 90 InChI=1/C1120-87-6 80658CC(CC)NCC sec-Butyl KFYKZKISJ -104.3 InChI=1/C6116724-10-8 80695COc1ccc(cc1OC)CC2c3cc(O)cCodamine OKORHWXY 127 InChI=1/C221040-59-5 80700

BALK,F & FORDCC(=O)c1cc2c(cc1C)C(C)(C)C(Tonalid DNRJTBAO 54.5 InChI=1/C121145-77-7 80719CC(C)CC(O)CCC 4-HEPTANOQXPLZEKP -81 InChI=1/C821570-35-4 80791OCC2OC2c1ccccc1 (3-Phenyl- PVALSANG 26.5 InChI=1/C921915-53-7 80823COC(=O)c1sccc1N METHYL 3-TWEQNZZO 65 InChI=1/C622288-78-4 80916CCCCCCCCCCCCCCCCCCCC1CNONADECYYVTPTBVY 45 InChI=1/C222349-03-7 80933O=C(C)Oc1cc(C)c(C)cc1 Acetic acidZFIOOTIKK 22 InChI=1/C122618-23-1 81030Oc1ccc(C)cc1C(=O)OC Benzoic aciJQYUQKRF -1 InChI=1/C922717-57-3 81056O=C(N)c1cc(Br)ccc1 M-BROMOBODJFDWIE 155.3 InChI=1/C722726-00-7 81061

SHIU,WY ET AL.ClC(Cl)(F)C(Cl)(Cl)SN(c1ccccc MethanesulSVIKNKPD 69 InChI=1/C922729-75-5 81063CCCCCS(=O)(=O)O PentanesulRJQRCOMH 15.9 InChI=1/C535452-30-3 81081COC(=O)Cn1ccnc1[N+]([O-]) 1-(CH2CO2KXEHVMQC 96 InChI=1/C622813-31-6 81104BrC(=C)CC 1-Butene, HQMXRIGB -133.4 InChI=1/C423074-36-4 81237O=[N+]([O-])c1cc(ccc1)C(C)(C1-tert-ButyZKRDQLBH 2 InChI=1/C123132-52-7 81251OCC(COCC(CO)(CC)CO)(CC)C DI(TRIMETWMYINDVY 109.5 InChI=1/C123235-61-2 81280Oc1nc(O)ncc1C(=O)O 5-PYRIMIDZXYAAVBXH 283 InChI=1/C523945-44-0 81524OCC3c1ccccc1c2ccccc23 9H-FLUOR XXSCONYS 106 InChI=1/C124324-17-2 81679Nc1ccc2CCCc2c1 Indan-5-yl LEWZOBYW 37.5 InChI=1/C924425-40-9 81705Oc1c(C=O)cccc1O 2,3-Dihydr IXWOUPGD 108 InChI=1/C724677-78-9 81781Cc2occc2C(=O)Nc1ccccc1 Fenfuram JFSPBVWP 109.5 InChI=1/C124691-80-3 81792

CC(C)C=3CCC1C(=CCC2C(C)(CAbietic aci RSWGJHLU 173.5 InChI=1/C2514-10-3 82077Oc1cc(ccc1OC)CCC(=O)CC(O 6-Gingerol LPRPIMHD 31 InChI=1/C123513-14-6 82123CC(=O)OCC(=O)C3CCC2C1CCCAlfadoloneQRJOQYLX 176 InChI=1/C223930-37-2 82239OC(C)(C)C1CC=C(C)C(O)C1 Sobrerol OMDMTHRB 130 InChI=1/C1498-71-5 82589OC(C)(C)C1CC=C(C)C(O)C1 trans-p-MeOMDMTHRB 131 InChI=1/C132226-54-3 82589

US EPA (2004) CC2(C)c1cc3COCC(C)c3cc1C(CGalaxolide ONKNPOPI -5 InChI=1/C11222-05-5 82618CC1CC(C)C(C)CC1 CYCLOHEXANVCJPCEVER -83.5 InChI=1/C97667-60-9 82638

ALDRICH (2000COC1CCC=CO1 2-Methoxy-XCYWUZHU 16 InChI=1/C6 5/1/4454 82655MSDS NC(=O)C1CO1 GLYCIDAMIFMAZQSYX 33 InChI=1/C35694-00-8 82664

C=CCOC2=NS(=O)(=O)c1ccccProbenazolWHHIPMZE 138.5 InChI=1/C127605-76-1 82698CN(c1nnc(s1)S(=O)(=O)CC)C(EthidimuroKCOCSOWT 156 InChI=1/C730043-49-3 82706FC(F)(F)c1cc(ccc1)C(c2ccccc FluotrimazLXMQMMSG 132 InChI=1/C257381-79-0 82710

CHEM INSPECT O=CC1CC=C(CCCC(C)(C)O)CCLyral ORMHZBNN -30 InChI=1/C131906-04-4 82714O=C(NC1CCCCC1)NS(=O)(=O)cGliquidoneLLJFMFZYV 181 InChI=1/C233342-05-1 82719O=C2OC(=NN2c1ccc(cc1Cl)NCDIMEFURODHWRNDJO 193 InChI=1/C134205-21-5 82721Cc2cc(C)nc(Nc1ccccc1)n2 PyrimethanZLIBICFPK 96.3 InChI=1/C153112-28-0 82753Clc1c2cccc(Cl)c2cc(Cl)c1Cl 1,2,3,5-T HJJKSUVY 141 InChI=1/C153555-63-8 82754Clc2cc(Cl)cc1c2cc(Cl)cc1Cl 1,3,5,7-T OTTCXKPQK 180 InChI=1/C153555-64-9 82755Clc2cc(Cl)cc1c2cc(Cl)cc1Cl TETRACHL OTTCXKPQK 156 InChI=1/C11335-88-2 82755CC(C)(C)C(O)C(Oc1ccc(cc1)c BITERTANOVGPIBGGR 127 InChI=1/C255179-31-2 82759CC(C)(C)C(O)C(Oc1ccc(cc1)c Bitertanol VGPIBGGR 138.6 InChI=1/C270585-36-3 82759Clc2cc(Cl)cc(Cl)c2c1c(Cl)cccc 2,2',4,6,6' MTCPZNVS 85 InChI=1/C156558-16-8 82765Clc1cc(C)cc(Cl)c1OP(=S)(OC) TOLCLOFOOBZIQQJJ 79 InChI=1/C957018-04-9 82767O=C1CCc2cccc3CCN1c23 PYROQUIL XRJLAOUDS 112 InChI=1/C157369-32-1 82768Clc1ccc(c(Cl)c1)C3(Cn2ncnc 1-[[2-(2,4 DWRKFAJE 84 InChI=1/C160207-93-4 82776FC(F)(F)c1cccc(c1)N2CC(CCl) FLUROCHLOQZCSNDV 67.65 InChI=1/C161213-25-0 82780CC(C)(SC(=O)N1CCCCC1)c2ccDimepiper BWUPSGJX 39 InChI=1/C161432-55-1 82782OC(c1ccccc1Cl)(c2cncnc2)c3c5-PYRIMIDSAPGTCDS 126 InChI=1/C163284-71-9 82786Clc1ccc(cc1)N(C(C)C)C(=O)CSANILOFOS NXQDBZGW 51 InChI=1/C164249-01-0 82790O=C1C(=NN=C(SCC)N1N)C(C)Ethiozin ADZSGNDO 95 InChI=1/C964529-56-2 82792Clc1ccc(cc1)CN(C(=O)Nc2cccPENCYCUROGYFATSSE 130 InChI=1/C166063-05-6 82795Clc2ccc(C(CCC)Cn1cncn1)c(ClPenconazoWKBPZYKA 58.5 InChI=1/C166246-88-6 82796FC(F)(F)c2cc(Cl)ccc2\N=C(/ TRIFLUMIZHSMVPDGQ 63.5 InChI=1/C168694-11-1 82801FC(F)(F)c2nc(Cl)sc2C(=O)OCcFlurazole MKQSWTQP 52 InChI=1/C172850-64-7 82815CN(c1ccccc1)C(=O)COc2nc3cMEFENACEXIGAUIHY 134.8 InChI=1/C173250-68-7 82816Clc1cccc(c1Cl)c2cncc2C#N FENPICLONFKLFBQCQ 147 InChI=1/C174738-17-3 82824OC(Cn1cncn1)(c2ccccc2F)c3cFLUTRIAFOLJWUCHKBS 130 InChI=1/C176674-21-0 82827[O-][N+](=O)c2cc(c(Cl)c(c2NcFLUAZINA UZCGKGPE 116 InChI=1/C179622-59-6 82831Clc2cc(NC(=O)NC(=O)c1c(F)ccTEFLUBEN CJDWRQLO 222.5 InChI=1/C183121-18-0 82833Fc3ccc(NC(=O)c2cccnc2Oc1cccDIFLUFENI WYEHFWKA 160 InChI=1/C183164-33-4 82834O=C(O)c1c(Cl)ccc2cc(Cl)cnc1QuincloracFFSSWMQP 274 InChI=1/C184087-01-4 82837Clc1cc(cc(Cl)c1OC(F)(F)C(F) HEXAFLUMRGNPBRKP 203.5 InChI=1/C186479-06-3 82839CCOc1cc(ccc1OCC)NC(=O)OCCARBAMIC LNJNFVJKD 100.3 InChI=1/C187130-20-9 82840O=C(OCCOCC)C(C)Oc1ccc(cc1)HALOXYFOPMIJLZGZL 60 InChI=1/C187237-48-7 82841O=C(O)c1c(Cl)ccc2cc(C)cnc12QuinmeracALZOLUNS 244 InChI=1/C190717-03-6 82847

Cn1ncc(C(=O)OCC)c1S(=O)(= Pyrazosulf BGNQYGRX 181.5 InChI=1/C193697-74-6 82848CC(COc2ccc(Oc1ccccc1)cc2) PYRIPROXYNHDHVHZZ 46 InChI=1/C295737-68-1 82851CC(C)(C)N2N=CC(SCc1ccc(cc1PYRIDABENDWFZBUWU 111.5 InChI=1/C196489-71-3 82852CCOc2nc(nc(NC(=O)NS(=O)(=ETHAMETSZINJLDJMH 194 InChI=1/C197780-06-8 82854FC(F)(F)c1nc(c(c(CC(C)C)c1C Dithiopyr YUBJPYNSG 65 InChI=1/C197886-45-8 82855O=C2CCCC(=O)C2C(=O)c1ccc(ICIA0051 (sPQTBTIFW 139 InChI=1/C199105-77-8 82858CCc1ccc(cc1)C(=O)NN(C(=O)c2TEBUFENOZQYPNKSZP 191 InChI=1/C2112410-23-8 82870CC(C)Cc1c(c(nc(C(F)F)c1C(=OThiazopyr YIJZJEYQB 78 InChI=1/C1117718-60-2 82873O=C(Nc1nc(cc(OC)n1)OC)NS(AmidosulfuCTTHWASM 161.5 InChI=1/C9120923-37-7 82874

Tomlin (2003) CCOCn1c(c(C#N)c(Br)c1C(F)(FCHLORFENCWFOCCVI 100.5 InChI=1/C1122453-73-0 82875O=S(=O)(NC(=O)Nc1nc(OC)ccRIMSULFUMEFOUWRM 177 InChI=1/C1122931-48-0 82876O=C(O)c2c(Sc1nc(cc(OC)n1)OPyrithiobacQEGVVEOA 149.5 InChI=1/C1123342-93-8 82878OCC1(O)OC(C(C)CC1C)C2CC(CLaidlomyciZNBNBTID 152 InChI=1/C356283-74-0 82886ClCCCCCCCO 1-Heptanol,DPNLUCKA 11 InChI=1/C755944-70-2 83028CC(O)(C#C)c1ccccc1 BenzenemetKSLSOBUAI 52.3 InChI=1/C1127-66-2 83147CC2(C)C1CCC2(C)CC1 BICYCLO[2.BEWYHVAW 158.5 InChI=1/C1464-15-3 83155ICC(O)CO Glyceryl Io GLJRUXJFS 48.5 InChI=1/C3554-10-9 83173CCCCCCCC(C)CC DECANE, 3JJRUZTXR -92.9 InChI=1/C113151-34-3 83276Nc1ccc(CCCCCCCCCC)cc1 4-DecylanilWGENWPAN 25 InChI=1/C137529-30-9 83338

ALDRICH (2003[O-][N+](=O)c1ccc2C(=O)N(C1H-IsoindolJBCHWGTZ 96 InChI=1/C941663-84-7 83348CN(C(=O)NC(C)(C)c1ccccc1)c MethyldymFMINYZXV 72 InChI=1/C142609-73-4 83352FC(F)(F)c1cnc(Cl)cc1 2-Chloro-5-JFZJMSDD 33 InChI=1/C652334-81-3 83365O=C(c2c(OCC(=O)c1ccccc1)n(CPyrazoxyfeFKERUJTU 111.5 InChI=1/C271561-11-0 83405Clc2c(N)c(ccc2Oc1ccccc1)[N+ACLONIFENDDBMQDAD 81.5 InChI=1/C174070-46-5 83411O=C(Nc2ccc(Cl)cc2C(O)c1cccInabenfidePFDCOZXEL 211 InChI=1/C182211-24-3 83423COc2nc(NC(=O)NS(=O)(=O)c CINOSULF WMLPCIHU 130 InChI=1/C194593-91-6 83438O=C(OCC)C1CC(=O)/C(C(=O)CTrinexapacRVKCCVTV 36 InChI=1/C195266-40-3 83439O=C4C=1CCCCC=1C(=O)N4c2cFlumioxaziFOUWCSDK 202.5 InChI=1/C1103361-09-7 83443O=C2NC(=O)C(F)=CN2C(=O)N1(2H)-PYR PXXNTSRW 223 InChI=1/C156563-17-8 83469O=C1NC(=O)C(F)=CN1C(=O)N1(2H)-PYR CDACFMJJ 226.5 InChI=1/C656563-18-9 83470Clc1c(O)c(Cl)c(O)c(Cl)c1O 1,3,5-TrichMHKCQYLJ 136 InChI=1/C656961-23-0 83584CC(C)(C)OCC(C)O Propylene GQCZPFJG -56 InChI=1/C757018-52-7 83620CC(C)(C)C(C)(C)CC 2,2,3,3-T QUKOJKFJI -9.8 InChI=1/C97154-79-2 83703COc1ccc(cc1O)CC2c3cc(OC)cLaudanine MPYHGNAJ 167 InChI=1/C285-64-3 83710COc1ccc(cc1O)CC2c3cc(OC)cLaudanidinMPYHGNAJ 184.5 InChI=1/C2301-21-3 83710

Aldrich (1998) CN(C)c1ccc(cc1)C(O)c2ccc(cc4,4'-Bis(d YLZSIUVOI 101 InChI=1/C1119-58-4 83720c1ccc3c(c1)C4c2ccccc2C3c5cTriptyceneNGDCLPXR 253.5 InChI=1/C2477-75-8 83742CCC(C)C1C=C(C(C1)C(C)CC)C 5(35-Di-s- RKOUCPMG 196 InChI=1/C1491-14-5 83749c3ccc1c(CC2OC12)c3 6,6a-DihydUKGCFMYY 24.5 InChI=1/C9768-22-9 83807O=C1NC(=O)CC(C1CCN(CC)CCPhenglutarKAOKIXBZ 126 InChI=1/C11156-05-4 83835CC1(CCOCO1)c2ccccc2 4-Methyl-4UWMUVCPS 37.5 InChI=1/C11200-73-3 83839

ALDRICH (2000CC(C)(C)c1cc(c(C)cc1O)C(C)CCTopanol CAPRWJPWSK 186.5 InChI=1/C31843-03-4 83868C1CCC2NCCCC2C1 QUINOLINEPOTIYWUA -40 InChI=1/C910343-99-4 83872O=C2NN(c1ccccc1)C(=O)C2c3PhenopyraZZMSHBOV 233.5 InChI=1/C1 1/5/3426 83912CC[C@@]23CCc4nc1ccccc1c QuebrachaFDNDLNFG 146 InChI=1/C14850-21-9 83943

ALDRICH (2000CCCC(O)CO Pentane-1,WCVRQHFD 104 InChI=1/C55343-92-0 83953CHEM INSPECT CC(C)(C)OOC1(OOC(C)(C)C)CCDi-tert-butNALFRYPT -30 InChI=1/C16731-36-8 83991

CC(CC)(/N=N/C(C)(CC)C#N)C ButanenitriAVTLBBWT 50 InChI=1/C113472-08-7 84029NC(=O)c1ccccc1OCC(=O)O SalicylamidRLISWLLI 221 InChI=1/C925395-22-6 84035C1CN2CCC1C(C2)N3c5ccccc5QuinupramJCBQCKFFS 150 InChI=1/C231721-17-2 84098O=C(O)CCC(=O)c1cc(Cl)c(cc Bucloxic AcIJTPQQVC 163 InChI=1/C132808-51-8 84103N#Cc1cc2ccccc2nc1 3-CYANOQQZZYYBQG 109 InChI=1/C134846-64-5 84121Fc1ccc(cc1)N2C(=O)C(Cl)=C( SPARTICID IPENDKRR 241 InChI=1/C141205-21-4 84168NC(=O)C1(CCCCC1)N3C(=O)c2AC 94,377 PSAVXKLIS 194 InChI=1/C151971-67-6 84201CC1(CC)CC1 CYCLOPROPCXYUCHDV -130.2 InChI=1/C653778-43-1 84221Clc1cc(cc(Cl)c1C)C=2C=CC(= DiclomezinUWQMKVBQ 251.5 InChI=1/C162865-36-5 84266O=C(Sc1ccc(cc1)OS(C)(=O)=OMethasulfoIXJOSTZEB 137 InChI=1/C966952-49-6 84287Clc2cc(NC(=O)Nc1ccccc1)ccnForchlorfe GPXLRLUV 167 InChI=1/C168157-60-8 84301

ALDRICH (2003CC2(C)CC(NCCCCCCNC1CC(C)(1,6-HexaneUKJARPDL 64 InChI=1/C261260-55-7 84324Clc1ccc2nc(n[n+]([O-])c2c1) TRIAZOXIDIQGKIPDJ 182 InChI=1/C172459-58-6 84327Clc2c(C)c(Cl)ccc2OC(C)C(=O) CLOMEPROBDQWWOHK 146.5 InChI=1/C184496-56-0 84386Clc3ccc(/N=C(\SCc1ccc(Cl)cc ImibenconaAGKSTYPV 90 InChI=1/C186598-92-7 84387COc1cccc(n1)N(C)C(=S)Oc2cc(PyributicarVTRWMTJQ 86 InChI=1/C188678-67-5 84390O=S(=O)(c1ccccc1)C2(CC2)C Methyl (1- OACLWBSJ 74.5 InChI=1/C197383-42-1 84420CC(CCCCC)OC(=O)COc1ccc(ClCloquintocCOYBRKAV 69.4 InChI=1/C199607-70-2 84430

Tomlin CDS (2 O=S(=O)(NC(=O)Nc1nc(OC)cc(FlazasulfurHWATZEJQ 180 InChI=1/C1104040-78-0 84440Clc1cc(ccc1OC(F)(F)C(F)OC(F Novaluron NJPPVKZQ 177.5 InChI=1/C1116714-46-6 84442O=C(OC)CSc3cc(/N=C1\SC(=OFluthiacet ZCNQYNHD 106 InChI=1/C1117337-19-6 84443O=S(=O)(c1ccc(Br)cc1)C2(CC Me (1-(4-bGTCWZRDS 103.5 InChI=1/C1160790-07-8 84448O=S(=O)(c1ccc(C)cc1)C2(CCCEthyl (1-(4 CTCKUDTV 53.5 InChI=1/C1160790-14-7 84449

ALDRICH (2000Oc1ccc2c3ccccc3nc2c1 2-HydroxycGWPGDZPX 271.5 InChI=1/C186-79-3 84451Oc1ccc2cc(O)ccc2c1 2,6-NAPHTMNZMMCVI 220 InChI=1/C1581-43-1 84452COC(=O)C1(CCC1)S(=O)(=O)cMethyl (1- ACFDLHBD 107.5 InChI=1/C1160790-17-0 84478O=S(=O)(c1ccccc1)C2(CCCCCMethyl (1- QKXWKAIG 114.5 InChI=1/C1160790-19-2 84479c1ccc2OC(CCc2c1)c3ccccc3 2H-1-BENZQOLIPNRN 46.3 InChI=1/C1494-12-2 84973O=C1NC(CCCCCC(=O)O)SC1 MycobacidCSOJYIAD 139.5 InChI=1/C9539-35-5 84986OC(Cc1ccccc1)c2ccccc2 BenzeneethGBGXVCNO 67 InChI=1/C1614-29-9 84992CCCCCCC(O)C(=O)O 2-Hydroxy-JKRDADVRI 70 InChI=1/C8617-73-2 84994

Ashford (1994)C=CC(=O)OC(C)CO HYDROXYPRUXYMHGCN -30 InChI=1/C625584-83-2 85055OCC1CCCCN1 Piperidin- PRAYXGYY 69 InChI=1/C63433-37-2 85070C=C(C)C5(O)C4C(=O)OC5C(O HyenanchiDWCJGLPG 225 InChI=1/C13484-46-6 85072

DAUBERT,TE &CC1CCC(C)C(C)C1C CyclohexanOOQVBBNT -75 InChI=1/C13726-45-2 85082ClC(Cl)C(=O)NC=2C(=O)c1cccQuinonamiZIEWAMOX 212.5 InChI=1/C127541-88-4 85176Fc1cccc(F)c1O PHENOL, 2CKKOVFGIB 39.5 InChI=1/C628177-48-2 85185CCCCCCCCCCCCCCCCCCCc1ccBenzene, nSHWJJBRT 40 InChI=1/C229136-19-4 85192Brc1cc(Br)c(C)cc1 Benzene, 2GHWYNNFP -9.7 InChI=1/C731543-75-6 85210ClC(Cl)(Cl)OC(=O)OC(Cl)(Cl)ClCarbonic acUCPYLLCM 79 InChI=1/C332315-10-9 85216O=C2OC(=NN2c1cc(OCC#C)c(ClOxadiargylDVOODWOZ 131 InChI=1/C139807-15-3 85276Oc1cc(Cl)cc(O)c1 1-Chloro-3FQVLOBQIL 118 InChI=1/C652780-23-1 85326O=C(Oc1cccc(c1)NC(=O)OC(CPhenisoph PWEOEHNG 109.5 InChI=1/C157375-63-0 85345

ChemFinder OnO=C(C)Oc2ccc(cc2c1ccccc1) (1,1'-BipheDZVDHXPX 68 InChI=1/C158244-28-3 85350ALDRICH (2003Nc1ccc(cc1)Oc2ccc(cc2)C(c3ccBenzenamineHHLMWQDR 161 InChI=1/C269563-88-8 85409

CC1(N=C(NC1=O)c2ccc(C)cc2ImazamethaTYIHVCIQ 133 InChI=1/C181405-85-8 85411O=C(c2c(OCC(=O)c1ccc(C)cc1)BenzofenaJDWQITFH 133.3 InChI=1/C282692-44-2 85434CC(N)(CC)C(=O)O DL-IsovalinGCHPUFAZ 316.5 InChI=1/C5595-39-1 85483O=C(OCC)C(=C/c1ccccc1)\C( DIETHYLMAVUWPIBNKJ 32 InChI=1/C15292-53-5 85490OC(c1ccccc1)(c2ccccc2)C(O)(1,2-EthanedMFEWNFVB 182 InChI=1/C2464-72-2 85502O=C1OC(=O)C2CCC1(C)C2(C)1,8,8-TriMeVFZDNKRDY 221 InChI=1/C1595-30-2 85566N(=C/Nc1ccccc1)\c2ccccc2 MethanimidZQUVDXMU 142 InChI=1/C1622-15-1 85615

ALDRICH (2000CN(C)c1ccc2N(c3ccc(cc3Sc2c10H-PhenotZKURGBYD 195 InChI=1/C21249-97-4 85696O=C(C)c1cnc(C)cc1 Ethanone, 1PVRYOKQFL 17.6 InChI=1/C836357-38-7 85989O=C(O)C(N)Cc2nnc1ccccc12 TRYPTAZA IFEKQNAX 240 InChI=1/C1526-30-7 86015BrC(C(O)=O)C(Br)C(=O)O 2,3-DibromFJWGRXKO 167 InChI=1/C4526-78-3 86021ClC(C(=O)c1ccccc1)c2ccccc2 Ethanone, RXDYOLRA 68.5 InChI=1/C1447-31-4 86040BrC(C)C(Br)CC 2,3-Dibro LWBRXRHB -56 InChI=1/C55398-25-4 86063Cc1ccc(cc1)C(O)c2ccccc2 PHNEYL-P-IHASOVON 52 InChI=1/C11517-63-1 86074BrC(C)C(Br)C(=O)O 2,3-DibromHESQKTUL 87 InChI=1/C4600-30-6 86082CC(C)(C)CC1(C)CO1 2-(2,2-DimWZHRVCOC -64 InChI=1/C8107-48-2 86106O=C(O)C(C)(O)CC 2-Hydroxy-MBIQENSC 74 InChI=1/C53739-30-8 86129OC(C(O)c1ccccc1)c2ccccc2 1,2-ETHANEIHPDTPWN 122.5 InChI=1/C1655-48-1 86143OC(C(O)c1ccccc1)c2ccccc2 MESO-HYDIHPDTPWN 138 InChI=1/C1579-43-1 86143OC(C(O)c1ccccc1)c2ccccc2 HydrobenzIHPDTPWN 139 InChI=1/C1492-70-6 86143CC1CCC2C(C)C(=O)OCC12 IridomyrmeLYEFRAMO 60.5 InChI=1/C1485-43-8 86149O=C1NC(=O)N(C)C(=O)C1(CC=Enallylpro AXJXURWW 56.5 InChI=1/C11861-21-8 86329OC(=O)c1ccc(S)cc1 2-MERCAPTLMJXSOYP 168.5 InChI=1/C7147-93-3 86425Clc2nnc1ccccc12 3-Chloro-1QPHAGNNW 149 InChI=1/C729110-74-5 86569OC2CC1C=CC2C1 5-NorborneMKOSBHNW 105 InChI=1/C713080-90-5 86714Nc2ccc(/N=N/c1cnc(OCCCC)c2,6-DiaminoWAWDOEH 129 InChI=1/C1617-19-6 86854OC(C(=O)OCC)(c1ccccc1)c2ccBENZENEACAIPVNQQM 34 InChI=1/C152182-15-7 86894O=C2OC(=O)CCC2c1ccccc1 3-Phenyl-dNVPRNSAY 95 InChI=1/C12959-96-8 86923C/C(C)=C1\OC(=O)C1(C)C 4-IsopropyOKAAPXFK -18 InChI=1/C83173-79-3 87054CC(C)CCCC(C)O 6-Methyl-2FCOUHTHQ -105 InChI=1/C84730-22-7 87095Oc1ccc2cc(Cl)ccc2c1 2-Chloro-6CNLYNLSY 116.5 InChI=1/C140604-49-7 87113CC(C)C1CC3=C(O1)N(C)c2c(c Lunacrine FMEKJMQG 119 InChI=1/C182-40-6 87128CC(O)CCCCCCCCCCCCC 2-PentadecALVGHPMG 35 InChI=1/C11653-34-5 87293O=C1CCCCCCCCC1=O Sebacil HLPUHEJQI 40.5 InChI=1/C196-01-5 87436

LIDE, DR ET ALO=C(CC#N)c1ccc(N)cc1 BenzeneproBEWGVKVW 158.7 InChI=1/C959443-94-6 87512Cc1nnc(C)s1 1,3,4-THIAJXQGICFG 65 InChI=1/C427464-82-0 87514

LIDE,DR ET AL.O=C3N1CCCCC1C2CN4CCCCC17-OxosparYQMWQSMY 111 InChI=1/C1489-72-5 87994ALDRICH (2000O=C(C)NC(CC(=O)O)C(=O)O N-AcetylasOTCCIMWXF 138.5 InChI=1/C6997-55-7 88007

[O-][N+](=O)c2ccccc2Oc1ccc 2-NitropheGIPFZNBCI 39.5 InChI=1/C154106-40-0 88037COc1ccc(CCCCO)cc1 4-(4-HydroONIBHZIXC 3.5 InChI=1/C152244-70-9 88146O=[N+]([O-])c1cc(ccc1)C(OC Acetic acidQJNXSPWU 72 InChI=1/C129949-19-7 88161ClC(=O)C(OC(C)=O)c1ccccc1 Acetic acidBERNQQVI 36 InChI=1/C11638-63-7 88177O=C(OCC1CCCO1)CCCCCCCCOctadecanoRYQKMSDU 22 InChI=1/C2 9/6/6940 88247

CC(C)C1CCC(C)CC1OCC(=O)O(2-IsopropyCILPHQCE 54 InChI=1/C140248-63-3 88289CC(CC)OC(=O)CCCCCCCCCCCISOBUTYL OMARWWFU 28.9 InChI=1/C2646-13-9 88378OC(c1ccc(Br)cc1)C(=O)O p-BromomanBHZBRPQO 117.5 InChI=1/C86940-50-7 88403O=C(O)C(O)CCC PENTANOICJRHWHSJDI 34 InChI=1/C5617-31-2 88482CCOc1ccc(cc1)NC(=O)C(C)O p-LactopheGHZNWXGY 118 InChI=1/C1539-08-2 88519COC(C(=O)c1ccccc1)c2ccccc2Ethanone, BQZJOQXS 49.5 InChI=1/C13524-62-7 88569BrC(C(C)Br)C(=O)OCC Butanoic acYPZLAXFG 58.5 InChI=1/C6609-11-0 88628O=C(O)C(Br)CCCCCCCC Decanoic aKNLOTZNPR 4 InChI=1/C12623-95-2 88773C1CC3C4CCCCC4CCC3C2CCCChrysene, ZEMKTMFB 115 InChI=1/C12090-14-4 88915COc1cc(ccc1)C(N)=O M-METHOXVKPLPDIME 134 InChI=1/C85813-86-5 88942Nc1ccc(cc1)C(=O)OCc2ccccc2BENZYL-4 DAOPOOMC 111 InChI=1/C194-18-8 88943c2cc1nccnc1c3ccccc23 1,7-PHENAYUFRAQHY 78 InChI=1/C1230-46-6 88949O=C1CCCC2CCCCC12 Octahydro-AFEFRXAP 33 InChI=1/C121370-71-8 88956O=C2Cc4ccc(OC)c(OC)c4CN( Allocrypto HYBRYAPK 160.5 InChI=1/C2485-91-6 89017CCCCCCC(O)CCCC Undecan-5-PCFOZHPC -3.5 InChI=1/C137493-70-2 89117CCCCCCC(=O)CCCC Undecan-5WENNKWX 2 InChI=1/C133083-83-9 89118N(=C=N\c1ccccc1)\c2ccccc2 BenzenaminCMESPBFF 169 InChI=1/C1622-16-2 89134Fc1ccc(cc1F)C(=O)O 3,4-Fifluor FPENCTDA 123 InChI=1/C7455-86-7 89588Nc1cc(OC)ccc1C 2-Methyl-5RPJXLEZO 47 InChI=1/C850868-72-9 89893

ALDRICH (2000[O-][N+](=O)c1cc2C=CC4(Oc21',3',3'-Tr PSXPTGAEJ 179.5 InChI=1/C11498-88-0 90137O=C(O)C(O)CCCC HEXANOIC NYHNVHGF 61 InChI=1/C66064-63-7 90191OC2COC1C(O)COC12 Isosorbide KLDXJTOL 62.5 InChI=1/C6652-67-5 90294OC2COC1C(O)COC12 Hexahydro-KLDXJTOL 88 InChI=1/C6641-74-7 90294Clc2ccc(Oc1ccc(OC(C)C(=O)OClofop isobXNBRPBFB 39.5 InChI=1/C151337-71-4 90395

ALDRICH (2000O=C(O)C(Cc1ccccc1)NC(=O)OCarbobenzoRRONHWAV 88.5 InChI=1/C11161-13-3 90437OC1CCC(O)C1 1,3-CYCLOPNUUPJBRG 31 InChI=1/C516326-97-9 90519OC1CCC(O)C1 1,3-CYCLO NUUPJBRG 40 InChI=1/C516326-98-0 90519

Lukasiak,J (198Clc1cccc(c1)O[Si]23OCCN(C 1-(3-CHLO FWXYUKRQ 245 InChI=1/C186825-39-0 91009O=C2CCCCC2C=1CCCCC=1 CYCLOHEXAGVNVAWHJ -78 InChI=1/C11502-22-3 91413Fc1cc(cc(F)c1)C(=O)O 3,5-DifluorGONAVIHG 122 InChI=1/C7455-40-3 91500CCC(CC)c1ccncc1 Pyridine, 4YHXYCIZBT 125.5 InChI=1/C135182-51-5 91519O=C(O)C1Cc2ccccc2CC1 1,2,3,4-Te NTAGXJQH 97.7 InChI=1/C153440-12-3 91600Nc1cc(O)c(Cl)cc1Cl 2-AMINO-4QPHMVRPA 95.5 InChI=1/C6527-62-8 91690O=C(Nc1nc(cc(OC(F)F)n1)OC(PRIMISUL ZTYVMAQS 196 InChI=1/C186209-51-0 91738O=C1NC(=O)NC(=O)C1(CC)C(TetrabarbitZLUNGGZJ 122 InChI=1/C176-23-3 91745OC(=O)C1CC(=O)OC1(C)C 3-FurancarbUZBOWOQA 174.5 InChI=1/C779-91-4 91750O=CC(O)C(O)CO D-Threose YTBSYETU 129 InChI=1/C495-43-2 91769CC(O)CNCCN 1-[(2-AminCWKVFRNC -50 InChI=1/C5123-84-2 91794FC1(F)C(F)(F)C(F)(C(F)(C(F)(F)DecafluoroGHBZJUJZN -56 InChI=1/C8306-98-9 91835CC(Cl)(F)CCl PROPANE, OTKOPXLU -91.7 InChI=1/C3420-97-3 91860O=C1CCC24CCCN3CCCC1C34CLycopodin RVZXICZIT 114.5 InChI=1/C1466-61-5 91874COc1ccc2CC5N(C)CCC43C5=CNEOPINE NNDKZTBF 127.5 InChI=1/C1467-14-1 91875C1c4ccccc4CN2CCc3ccccc3C Berbine BRLDZKPJ 85 InChI=1/C1483-49-8 91895OC(C2CC1CCN2CC1CC)c4ccncHydrocinchWFJNHVWT 268.5 InChI=1/C1485-65-4 91899OC(C(O)C(O)C(=O)O)C(O)C(OGlucoheptoKWMLJOLK 146.5 InChI=1/C787-74-1 91901

OC1CC(O)C(O)C(O)C1O d-QuercitoIMPKVMRT 236 InChI=1/C6488-73-3 91903CC3(C)C2CCC(C)(O)C1CCC(C) LEDOL AYXPYQRX 105 InChI=1/C1577-27-5 91904ClC(Cl)(Cl)C(N)O Chloralam UOUOCWPR 73 InChI=1/C2507-47-1 91908CC2(C)C1CCC2(C)C(=O)C1Cl 3-Chloro-dTYKNIXUIZ 106 InChI=1/C1508-29-2 91910O=C1NC(=O)NC(=O)C1(CC)N 2,4,6(1H,3HZFVLHMJC 215 InChI=1/C1509-87-5 91912O=C(O)CC(C)C2CCC3C4CCC1 NorcholaniUNDDRXNW 177 InChI=1/C2511-18-2 91914ClC(Cl)(Cl)C(O)C#N 3,3,3-TrichUFVLRHXF 61 InChI=1/C3513-96-2 91916CC(C)C(CC)CCC(C)C1CCC2C3 7-DehydrosARVGMISW 144.5 InChI=1/C2521-04-0 91926OC(C(O)C(O)CO)C(O)C(O)CO (+)-Perseit OXQKEKGB 188 InChI=1/C7527-06-0 91934c1ccc(cc1)C2NC(=NC2c3ccccc2,4,5-Trip UCCFUHZM 134.5 InChI=1/C2573-33-1 91959O=C(C(OCC)c1ccccc1)c2cccccEthanone, KMNCBSZO 62 InChI=1/C1574-09-4 91960CCOc1ccc(cc1)/N=N/c2ccc(ODiazene, biFMPYMMTZ 162 InChI=1/C1588-52-3 91964

ALDRICH (2000N#CC2CC1CCC2C1 NorbornaneGAHKEUUH 44 InChI=1/C82234-26-6 92361F/C(F)=C(/Cl)C(F)(F)F 1-PROPENEYTCHAEAIY -130 InChI=1/C32804-50-4 92438OC(C2CC1CC(OC)N2CC1C=C)cEpiquinidi NAXGSHXN 113 InChI=1/C2572-59-8 92515CC(Cl)C(Cl)CC Pentane, 2,HVFJQRZG -77.3 InChI=1/C5600-11-3 92523OC(C(O)C(=O)OCC)C(=O)O ButanedioicZUDZWKJB 90 InChI=1/C6608-89-9 92524BrC(C)C(Br)CBr Butane, 1, HKTNRDJX -19 InChI=1/C4632-05-3 92530

BEYERLEIN,AL EFC(F)C(F)(F)C(Cl)F Propane, 1-FXSNEEBO 85 InChI=1/C3679-99-2 92540CCC(C(=O)OC)c1ccccc1 BenzeneacetPPIQQNDM 77.5 InChI=1/C12294-71-5 92840ClCC(O)C(O)CCl 2,3-ButanedSAUBRJOI 126.5 InChI=1/C42419-73-0 92868CC1CC1C CYCLOPROPVKJLDXGFB -149.6 InChI=1/C5 6/4/2402 92890CC1CC1C CYCLOPROPAVKJLDXGFB -140.9 InChI=1/C5930-18-7 92890O=C(O)C(Br)CCCCCCCCC 2-Bromo-unNOLJPCPM 10 InChI=1/C12623-84-9 92917

CHEM INSPECT COC(=O)CC1CCC(=O)C1CCCCCyclopentanKVWWIYGF -10 InChI=1/C124851-98-7 92919O=C(O)C(C)CCCCCCCCCC DodecanoicONEKODVP 22 InChI=1/C12874-74-0 92948OC(C(O)C(=O)CO)C(O)C(O)COD-manno-HHSNZZMHE 151 InChI=1/C73615-44-9 92980O=C1CCCCCCCC3CCC(OC(=O)Carpaine AMSCMASJ 121 InChI=1/C23463-92-1 93071CCC(C)C1C=C(C(C1)C(C)CC)C 5(35-Di-s- MQETZQLZ 183 InChI=1/C153109-18-5 93658O=C1CC=NC=N1 4(3H)-Pyri TZYQTWHR 164 InChI=1/C451953-17-4 93916O=[N+]([O-])c1cc(C)cc(Br)c1 1-Bromo-3-MWFDNXJP 83 InChI=1/C752488-28-5 94081[3H]O[3H] DEUTERIUMXLYOFNOQ 3.81 InChI=1/H 7789-20-0 94563

Lide (1994) Cl\C(Cl)=C/C3C(C(=O)OC(C#N)CYFLUTHRIQQODLKZG 60 InChI=1/C268359-37-5 94690Cc1c(cccc1OC)C(=O)NN(C(=O)cRH-2485 QCAWEPFN 204.5 InChI=1/C2161050-58-4 94755[O-][N+](=O)C(COC(C)=O)C(OFenitropanAYBALPYBY 70 InChI=1/C165934-95-4 96000

SHIU,WY ET AL.[O-][N+](=O)C(COC(C)=O)C(O1,3-PropaneAYBALPYBY 71 InChI=1/C165934-94-3 96000O=C(O)C(O)CC(N)=O Butanoic aRTTYFXMX 147.5 InChI=1/C466398-52-5 96024OCC(Cc1ccccc1)c2ccccc2 BENZENEPRIITXBLBB 51 InChI=1/C13536-29-6 96391CN(C)C(C)C(=O)NC=2C(=O)N(AminopropUQNCVOXE 181 InChI=1/C1 4/8/3690 96421O=C1NCCCC1C 3-Methyl-pPHGAOXNF 55.3 InChI=1/C63768-43-2 96440c1cc(ccc1)C2CCCNC2 3-Phenyl-pNZYBILDY 14.5 InChI=1/C13973-62-4 96476C1CCCC2NCCC12 Octahydro-PDELQDSY 143 InChI=1/C84375-14-8 96541CC1CCCN(C1)C(=O)C Piperidine,XKFPNHDG -13.6 InChI=1/C84593-16-2 96569OCC1CCCNC1 Piperidin- VUNPWIPI 61 InChI=1/C64606-65-9 96573O=C1CC(C)(C)CC1C CyclopentaOXTQEWUB -25.6 InChI=1/C8 12/6/4694 96588

OC1CCCCCCCCCCCCCC1 CyclopentaFFVHXGZX 80.5 InChI=1/C14727-17-7 96591OC2CCCC2C1CCCC1 1,1'-Bicycl QMWSCHMO 20 InChI=1/C14884-25-7 96611Clc1ccccc1OCC(O)CO 3-(2-Chlor UEDJPYLQE 71.5 InChI=1/C95112-21-0 96633CC(C)C(O)C(C)(C)C 2,2,4-TRI AXINNNJH -13 InChI=1/C85162-48-1 96641OCc1ccccc1I 2-JOD-BENWZCXOBMF 92 InChI=1/C75159-41-1 96816O=C(O)C(CC)c1ccc(cc1)N2Cc Indobufen AYDXAULL 183 InChI=1/C163610-08-2 96823Clc1c2cc(Cl)c(Cl)c(Cl)c2cc(Cl)HEXACHLOXZLJCGGE 118.3 InChI=1/C11335-87-1 96864COC(=O)C1CC(=O)N(C)C1 1-METHYL-JFZRRXGXE 15 InChI=1/C759857-86-2 97460CCOc1ccc(cc1)C(N)=O P-ETHOXY AZEIRPAUJ 209 InChI=1/C955836-71-0 97815

ALDRICH (2003O=C1NCCN(CC)C1=O P 32 ZBEKOEYC 108 InChI=1/C659702-31-7 97850ALDRICH (2003CC(C)(C)C(=O)CC#N PentanenitrMXZMACXO 71 InChI=1/C759997-51-2 97904

O=C(CCCCCCCC)OCCCCC Nonanoic acDZOQJRHA -27 InChI=1/C161531-45-1 98103CC(=O)OCCN(CCC#N)c1ccc(cc1AZO DYE RZNUBBVSU 167 InChI=1/C268133-69-7 98482Nc1cc(C)cc2cccnc12 8-QuinolinZAKYERLV 73 InChI=1/C168420-93-9 98980

Ran, Y et al. ( O=C(OC)C2CC1(C=CC2C1)C(=5-NorbornenCPBJWZMY 38 InChI=1/C15826-73-3 99370CNC(=O)Oc1cc2c(cc1)N(C)C Physoveni LXTKNVLL 124.5 InChI=1/C16091-05-0 99416CC1CNCC(C)O1 MorpholineHNVIQLPO -88 InChI=1/C6141-91-3 99508OC(=O)C1CC=C(C)C1(C)C 2,2,3-TrimeZRVJUIDX 40.5 InChI=1/C96709-22-4 99564Cc2cc(/N=C/c1ccccc1)ccc2 BenzylidenRAMVBCXR 31 InChI=1/C15877-58-7 99731O=C(O)C1CC(=O)N(CCCCCCC 1-LAURYL- ZNQTZHTYS 39 InChI=1/C110054-21-4 100413CC2(O)C(=O)CC1CC2C1(C)C Oxypinoca VZRRCQOU 38.5 InChI=1/C110136-65-9 100420CN(C)C(C)CN2c3ccccc3N=C1 PropizepinYFLBETLX 122 InChI=1/C110321-12-7 100443C1CC(CC=C1)c2ccncc2 Pyridine, 4USWHHVUC 22.1 InChI=1/C170644-46-1 100591BrC(C)C(Br)(Br)C Butane, 2, JDWNTZIE 1.8 InChI=1/C462127-47-3 100802CCCCCCCCCc1ccc2ccccc2c1 2-N-NONY BVGNMQM 12 InChI=1/C161886-67-7 101076

ALDRICH (2003Cc1nc2cc(ccc2o1)c3ccccc3 BenzoxazolCHZDPBVC 63 InChI=1/C161931-68-8 101088Clc1ccc(N)c(Cl)n1 3-Amino-2,MJVZSRZT 119 InChI=1/C562476-56-6 101140COc1ccccc1C(C)O 1-(2-MethoDHHGVIOV -85.1 InChI=1/C913513-82-1 102590Cn3cncc3CC1COC(=O)C1C(O)IsopilosineDZOVBAVEJ 179 InChI=1/C1491-88-3 102604C=CC(=O)Oc1c(Br)cc(Cl)c2cc 2-PropenoicYDNLKBDX 100.5 InChI=1/C134462-96-9 102825Clc2ncc(CN1CCS/C1=N\C#N)cThiaclopridHOKKPVIR 136 InChI=1/C1111988-49-9 103099

Lide, DR ET AL OCC(O)COc1ccccc1OCCC 1,2-PropanSHLGUEVD 70 InChI=1/C163991-76-4 103390MERCK INDEX CC(CNC)C1CCCCC1 cyclexedri AGJJTKRY 139 InChI=1/C164011-61-6 103439

O=C1NC(=O)C(F)=CN1C(=O) 1(2H)-PYR PVSNDBKX 136 InChI=1/C964098-82-4 104189CN2CCC(CCCC1CCN(C)CC1)C Piperidine,JWOTWWO 13.7 InChI=1/C164168-11-2 104209CCc2ccccc2Nc1ccccc1CC BenzenaminRZFNPHWO 29 InChI=1/C164653-59-4 104276CC1(C)OC(=O)CC1CC(=O)O TETRAHYDRNQWMPKJA 90 InChI=1/C826754-48-3 104849O=C(CCCCCBr)OCC 6-Bromo-heDXBULVYH 33 InChI=1/C825542-62-5 105044CCCCCCCCCc2cccc1ccccc12 1-N-NONY AZLNHMGS 8 InChI=1/C126438-26-6 105267c1ccccc1CC2CCCCN2 2-Benzyl-piITXCORRIT 32 InChI=1/C132838-55-4 105447FC(F)(F)c1ccc(CC(=O)O)cc1 P-TRIFLUOHNORVZDA 84 InChI=1/C932857-62-8 105768O=C(CCCCCC(=O)O)OCC HeptanedioNQYXFXWK 10 InChI=1/C933018-91-6 105806c1cc(ccc1)c2ncccc2c3ccccc3 2,6-DIPHE WKAXDAM 82 InChI=1/C13558-69-8 105893Clc1c(C)cc(C)c(Cl)c1O 2,6-Dichlo PRIUZKZU 87.5 InChI=1/C81943-54-0 106059CC(C)Cc1ccccc1C 1-Isobutyl XNMPJDZA -73.3 InChI=1/C136301-29-8 106287

c1cncc2CCCCc12 5,6,7,8-TetHTMGQIXF 146.5 InChI=1/C936556-06-6 106340O=C1CC(C)CC1(C)C CyclopentaPJXIBUIXC -40.6 InChI=1/C828056-54-4 106813O=C(OCC)Cc2nnc1ccc(Cl)cc1 EthychlozaGLPZEHFB 77 InChI=1/C127512-72-7 106832O=C3c4ccccc4C(=O)C3(CN1COxazidioneYYRYCTNX 88 InChI=1/C227591-42-0 106845BrC1=CN(C(=O)NC1=O)C2CC URIDINE, 5MREZUWMZ 180.5 InChI=1/C928616-93-5 107123

CHEM INSPECT O=C1OC(=O)CC1CCCCCCCCC 2,5-FurandUPIDLHWA 67.15 InChI=1/C228777-98-2 107169O=C(OC)c2cccc1ccccc12 1-NAPHTHAHMRROBKA 59.5 InChI=1/C12459-24-7 107179

ALDRICH (2000CCNc1ccc2c(c1)OC(=O)C=C2 4-Methyl-7OTNIKUTW 73.5 InChI=1/C191-44-1 107184ALDRICH (2000O=C1CCC(=O)N1I N-IodosuccLQZMLBOR 204 InChI=1/C4516-12-1 107372

O=C(O)CCCCCCBr 7-Bromo-heJLPQXFFM 31 InChI=1/C730515-28-7 108607STAPLES,CA & OC(C)COC(C)COCCC 2-PropanolWEZPLQKR 7.08 InChI=1/C929911-27-1 108631

C=CCS(=O)CC(N)C(=O)O Allin XUHLIQGR 165 InChI=1/C6556-27-4 108767Tomlin (2003) Clc1cc(cc(Cl)c1C)C(=O)NC(C) Zoxamide SOUGWDPP 160.25 InChI=1/C1156052-68-5 108892ChemFinder (2Cc1cccc2nnnc12 1H-BenzotriCMGDVUCD 81.5 InChI=1/C729385-43-1 109219

O=C1CC(CN1C)C(O)=O 1-METHYL-YHDZDIPQC 152 InChI=1/C642346-68-9 109441Fc1c(F)ccc(O)c1F 2,3,4-Trifl IJGSULQF 32 InChI=1/C62822-41-5 109789CC34CCC2C(CCC1CCCCC12C)Androstan QZLYKIGB 50.25 InChI=1/C1438-22-2 110009CC34CCC2C(CCC1CCCCC12C)EtiocholanQZLYKIGB 79 InChI=1/C1438-23-3 110009O=[N+]([O-])c1ccc(C)cc1Cl 3-Chloro-4KGSQRFPD 24 InChI=1/C738939-88-7 110074CC1(C)CCC(C)(C)C1 CYCLOPENTYWYCGTZN -88.4 InChI=1/C950876-33-0 110117ClCCCCCCCCCCO 1-Decanol,OTUSESJEC 12.5 InChI=1/C151309-10-5 110121C=C(C)c2cc1c(ccc1C=O)c(C)c LactaroviolPUEUPUYR 58 InChI=1/C185-33-6 110188O=C(O)C1=C(CC)N(N=CC1=O)cClofencet PIZCXVUF 269 InChI=1/C1129025-54-3 110214O=C(OC)C2(CCN(CCc1ccccc1)LOFENTANIIMYHGORQ 177 InChI=1/C261380-40-3 110226O=C3c1ccccc1C(=O)c2c3cc(ORubiadin IRZTUXPR 290 InChI=1/C1117-02-2 110563C\C=C(/C)C(=O)O 2-METHYL-UIERETOO 45.5 InChI=1/C5565-63-9 111629

Merck Index; aC\C=C(/C)C(=O)O TIGLIC ACI UIERETOO 63.25 InChI=1/C580-59-1 111629O=[N+]([O-])c1ccc(cc1)C(O AzidamfeniSGRUZFCH 107 InChI=1/C113838-08-9 118118O=C(CCC)OCCOC(=O)CCC Butanoic acSFTRWCBA -80 InChI=1/C1105-72-6 119744c1ccnc2cccnc12 1,5-NAPHTVMLKTERJ 75 InChI=1/C8254-79-5 119847C1CCC2CCCC1C2 BICYCLO[3 WNTGVOIB 145.5 InChI=1/C9280-65-9 119878FC(F)([N+]([O-])=O)C(F)(F)[N+ETHANE, 1,NELYAMNM -41.5 InChI=1/C2356-16-1 119958BrCC(F)F 2-Bromo-1,JVYROUWX -75 InChI=1/C2359-07-9 119962FC(F)CO 2,2-DIFLU VOGSDFLJ -28.2 InChI=1/C2359-13-7 119963FB(F)c1ccccc1 Borane, di WATLWUFS -36.2 InChI=1/C6368-98-9 119977FC(F)(F)S(F)(F)(F)(F)F SULFUR, P QIYZKVMA -87 InChI=1/CF373-80-8 119988CN(C)B(F)N(C)C BoranediamCLSACQGN -44.3 InChI=1/C4383-90-4 120004CCOc1ccccc1F BENZENE, SQSJADMO -16.7 InChI=1/C8451-80-9 120065CCOc1cccc(F)c1 PHENETOLEUWWCZZM -27.5 InChI=1/C8458-03-7 120075C1Cc2cccc3CCCC1c23 ACENAPHTHBDAGIAXQ 12.8 InChI=1/C1480-72-8 120091c1ccc2OCCCc2c1 2H-1-BENZVZWXIQHB 215 InChI=1/C9493-08-3 120093O=C=C=C=O 1,2-PROPAGNEVIACK -107 InChI=1/C3504-64-3 120106C1CCCSS1 1,2-DITHIACXWGKAYM 32.5 InChI=1/C4505-20-4 120109CC3(C)C1CC2C(C1)C23C(=O) Tricyclo[2. IRTLURZR 151.3 InChI=1/C1512-60-7 120114Cc1c(O)c(C)c(C)c(O)c1C 1,4-BenzeneSUNVJLYYD 233 InChI=1/C1527-18-4 120120

O=C1OC(OC1C(Cl)(Cl)Cl)C(Cl)(2,5-Bis-tri MURYNVIR 116 InChI=1/C5554-21-2 120129CC(C)(C)C(=O)CC 3-PENTANOVLNUTKMH -45 InChI=1/C7564-04-5 120136C\C=C=C\C 2,3-PENTAPODAMDNJ -125.6 InChI=1/C5591-96-8 120150[O-][N+](=O)C(C)(C)[N+]([O-] 2,2-Dinitr DHPRWWYQ 54 InChI=1/C3595-49-3 120157CCCCC(O)(CCCC)CCCC 5-NONANOLRWKMYNWN 20 InChI=1/C1597-93-3 120164CC(O)(CCC)CCC 4-HEPTANOIQXKGRKR -82 InChI=1/C8598-01-6 120166O=C(NC(=O)c1ccccc1)c2cccccN-Benzoyl ZHDORMMH 152 InChI=1/C1614-28-8 120185CCCCCCCCC(O)CCCCCCCC 9-HEPTAD WTWWTKPA 61 InChI=1/C1624-08-8 120206ClCCI 1-chloro-2 JTWWWQGS -15.6 InChI=1/C2624-70-4 120209N#CSC#N Sulfur cyanRFMQOHXW 63.5 InChI=1/C2627-52-1 120218CC(C)(C(=O)O)C(C)(C)C(=O)O ButanedioicCDPPYCZV 200 InChI=1/C8630-51-3 120224Cc1c(F)c(F)c(C)c(F)c1F 2,3,5,6-TetIWKPBYPU 36 InChI=1/C8703-87-7 120317CCCCCCCOO n-Heptyl h XIOGAMSX 35.5 InChI=1/C7764-81-8 120354c1ccc(cc1)c2nc(on2)c3ccccc31,2,4-OXADVIZNDSYP 109 InChI=1/C1888-71-1 120458CC1CCCC1CC CYCLOPENTABSKOLJVTL -106 InChI=1/C8930-89-2 120488CC1CCCC1CC 1-METHYL-BSKOLJVTL -105.9 InChI=1/C8930-90-5 120488CB(C)N(C)C N,N,1,1-TeBUAGRGPX -92 InChI=1/C41113-30-0 120613O=C(CC(=O)OCCCC)OCCCC PROPANEDINFKGQHYU -83 InChI=1/C11190-39-2 120670O=C1CCCCC1(C)C CYCLOHEXAKNSPBSQW -20.5 InChI=1/C81193-47-1 120674O=C(C)N(C(C)=O)c1ccccc1 ACETAMIDEKBDYPDHU 37.5 InChI=1/C11563-87-7 120792C1CCCCC1C(C2CCCCC2)C3CCMETHANE, SQDGPLNZ 48 InChI=1/C11610-24-8 120815CCC(O)CCCCCCCCCCC 3-TETRAD CIZOCKPO 31.5 InChI=1/C11653-32-3 120840CN(C)c1ccc(CO)cc1 BENZENEMEWQBCAASP 69 InChI=1/C91703-46-4 120868O=C(OC(=O)C(c1ccccc1)c2cccDiphenylacYZMRCMTT 98 InChI=1/C21760-46-9 120898CCCCCCCCCCC1CCCC1 CYCLOPENTWOUVLFFZ -22 InChI=1/C11795-21-7 120911

CRC Cl[Si](Cl)(Cl)OCC TrichloroetSELBPKHV -135 InChI=1/C21825-82-7 120926CCC1=CCCC1 CYCLOPENTQYYQTLLG -118.5 InChI=1/C72146-38-5 121113CC(C)CCC#C 1-HEXYNE,HKNANEMU -125 InChI=1/C72203-80-7 121154CCCCC#CCCCCC 5-UNDECY VRQLDBSW -74.1 InChI=1/C12294-72-6 121192Nc1ccc(cc1O)C(=O)O 3-HYDROXYNFPYJDZQO 213 InChI=1/C72374-03-0 121227CCCc1ccc(cc1)C(=O)O 4-PROPYLBATZHGRNF 143 InChI=1/C1 5/3/2438 121262O=C(OC)c1ccc2ccccc2c1 2-NAPHTHAIODOXLXFX 77 InChI=1/C12459-25-8 121266CC#CC#CC 2,4-HEXADPCTCNWZF 67.8 InChI=1/C62809-69-0 121383CC[SiH3] Ethyl silan KCWYOFZQR -180 InChI=1/C22814-79-1 121386CC(CC1CCCCC1)CC2CCCCC2 CYCLOHEXANMUNDOJMY 0.6 InChI=1/C1 8/1/2883 121411C(CCC1CCCCC1)C2CCCCC2 CYCLOHEXANLIQIPWNPF -17 InChI=1/C13178-24-3 121503Clc1cc(CCl)cc(Cl)c1 3,5-DichlorZFLRKAMK 36 InChI=1/C73290-06-0 121529CC(C)(C#CC(C)(C)OO)OO 2,5-DimethVHRZZWMO 108 InChI=1/C83491-36-9 121607CC(C)C1CC1 ISOPROPY HPBROFGY -112.9 InChI=1/C63638-35-5 121640CC1CC1(C)C CYCLOPROPBXIIJPAVI -138.2 InChI=1/C64127-45-1 121766

CRC C[Si](C)(C)N(c1ccccc1)[Si](C)(Silanamine,UUBHRQZK 16.5 InChI=1/C14147-89-1 121775CRC CC(C)[Si](Cl)(Cl)Cl Trichloro(1GPWLZOIS -87.7 InChI=1/C34170-46-1 121781

CCCCCC1=CCCC1 CYCLOPENTQCNVZKGT -83 InChI=1/C14291-98-9 121817CCCCCCC1CCCC1 HEXYLCYC LKHGKBBA -73 InChI=1/C14457-00-5 121891COBOC DimethoxyVAWRKITU -130.6 InChI=1/C24542-61-4 121921

O=C(CI)c1ccccc1 ETHANONE,CREOHKRP 34.4 InChI=1/C84636-16-2 121940CRC Cl[Si](Cl)(OCC)OCC Silane, dic UFCXHBIE -130 InChI=1/C44667-38-3 121944

Cc1nonc1C FURAZAN, JKJSZGJVB -7 InChI=1/C44975-21-7 122020CCB(Cl)CC DIETHYLC PRJQLUNG -84.6 InChI=1/C45314-83-0 122068O=C(O)c1ccc(OCCC)cc1 4-PROPOXYGDFUWFOC 145 InChI=1/C15438-19-7 122118O=S(N)(=O)c1ccccc1[N+]([O- 2-NITROB GNDKYAWH 191 InChI=1/C65455-59-4 122128O=C(O)c1ccc(OCCCCCCCCCC)BENZOIC ACNZNICZRI 113.5 InChI=1/C15519-23-3 122145O=C1CC2CCCCC2C1 2H-INDEN-HAMUKWWZ -12 InChI=1/C916484-17-6 122183O=C1CC2CCCCC2C1 2H-INDEN-HAMUKWWZ 10 InChI=1/C9 4/3/5689 122183CC(C)(C)c1ccccn1 2-T-BUTYL UUIMDJFB -33 InChI=1/C95944-41-2 122245CCCCCCCCCCCC1CCCC1 CYCLOPENTFIWKORYT -10 InChI=1/C16785-23-5 122432CC(C)CC#C 1-PENTYNEOXRWICUI -104.6 InChI=1/C67154-75-8 122546CCC(O)CCCCCCCCC 3-DODECAOKDGZLITB 25 InChI=1/C110203-30-2 122696C=CC(C)(C)C(=O)O 3-BUTENOICSCFWAOWW -6 InChI=1/C610276-09-2 122708CC(C)CS(=O)(=O)CC(C)C PROPANE, ULSLZZKK 17 InChI=1/C810495-45-1 122752Cc1ccnc(C)n1 PYRIMIDINEPMCOWOCK -4 InChI=1/C614331-54-5 123238Cc1cc(C=O)ccc1O 4-Hydroxy-BAKYASSD 119 InChI=1/C815174-69-3 123379CB(C)SC Borinic aci IRBDKNYD -84 InChI=1/C319163-05-4 123903C=C(C)C(CC)CC 1-PENTENEHPHHYSWO -112.9 InChI=1/C819780-66-6 123998CCCCCC#CCO 2-OCTYN-1TTWYFVOM -18 InChI=1/C820739-58-6 124143CC2(C)C1CCC2(C)C(=O)C1O 3-Hydroxy AXMKZEOEX 205.5 InChI=1/C110373-81-6 124222CCC(OC)(OC)OC 1,1,1-TRI ZGMNAIOD 58 InChI=1/C677-99-6 124504N#Cc2ccccc2c1ccccc1 [1,1'-BIPH WLPATYNQ 41 InChI=1/C124973-49-7 124512CCOc1ccc(cc1)C#N BENZONITRPJRLUGQM 61.5 InChI=1/C925117-74-2 124526CC(Cl)(Cl)CCC PENTANE, MNXVHBFC 128.5 InChI=1/C534887-14-4 125208CC(CC1CCCCC1)C2CCCCC2 CYCLOHEXANCTAURVAU -22 InChI=1/C141851-34-7 125756CC(C)CC#CC 2-HEXYNE,SVGAHRUS -92.9 InChI=1/C753566-37-3 126201C(CCC1CCCCC1)CCC2CCCCC2CYCLOHEXANALPSDJDPJ -13.6 InChI=1/C154833-31-7 126341CCCC(C1CCCCC1)C2CCCCC2 CYCLOHEXAHYUXMTCT -10.5 InChI=1/C154890-00-5 126346CC(C)(C1CCCCC1)C2CCCCC2 CYCLOHEXACCXLOQVM 15.6 InChI=1/C154934-90-6 126357CCC(C1CCCCC1)C2CCCCC2 CYCLOHEXAROFWOEQF -23.5 InChI=1/C154934-91-7 126358CCCCCCCCC#CC 2-UNDECY XZSXEDPH -30.1 InChI=1/C160212-29-5 126767CCCCCCC#CCCC 4-UNDECY RUEKFLJT -74.7 InChI=1/C160212-31-9 126769OC(C(O)C(O)C(O)C=O)C(=O)OGLUCURONIIAJILQKET 165 InChI=1/C6 12/3/6556 134737OC(C(O)C(O)C(O)C=O)C(=O)OD-GalacturIAJILQKET 166 InChI=1/C6685-73-4 134737O=C(NC(C)c1ccc(Cl)cc1)C2(CCKTU 3616 (RXDMAYSS 147 InChI=1/C1127640-90-8 135588Cc1nc(nc(OC)n1)N(C)C(=O)N TribenuronVLCQZHSMC 141 InChI=1/C1101200-48-0 135649CC(C)(C)c1cc(OCC)c(cc1)C2N ETOXAZOLIXSZQYVW 101.5 InChI=1/C2153233-91-1 135707Clc3ccccc3c1nnc(nn1)c2c(F)cSZI-121 SWBHWUYH 188 InChI=1/C1162320-67-4 135715

Deboer, J Et AlBrc2c(c1c(Br)c(Br)cc(Br)c1Br)1,1'-Biphe IQIHDBRYK 225 InChI=1/C127858-07-7 136011C=CC5CN1CCC5CC1C34Nc2ccQUINAMINALNKTVLU 185.5 InChI=1/C1464-85-7 138259O=C(OCN1C(=O)C(NC1=O)(c2cPhenytoin FBQTWGHL 170.6 InChI=1/C1SRC003-42-2 139761O=C(OCN1C(=O)C(NC1=O)(c2cPhenytoin XCEYNQCF 91 InChI=1/C2SRC003-42-4 139762O=C(CCCC)c1ccc(N)cc1 1-PentanonODSCUBSJI 74.5 InChI=1/C138237-74-0 142246O=[N+]([O-])c1cc(ccc1)C(=N)M-NITROBBAAYGBNL 200 InChI=1/C756406-50-9 144762

O=[N+]([O-])C1(CCCCC1)[N+]1,1-Dinitr OWJVEZJJ 36 InChI=1/C64028-15-3 144801Hou, M et al. ( CC(=O)OCCN(CCCC)c2ccc(/N=NEthylcellul ARSKJXYLL 151 InChI=1/C29004-57-3 145595

ClCC(=O)N(COC(C)C)c1c(C)ccPropisochl KZNDFYDU 21.6 InChI=1/C186763-47-5 146492O=C(C)OCN1C(=O)C(NC1=O)(cPhenytoin FBFCVJNZK 158.1 InChI=1/C1SRC003-42-1 147574

ALDRICH (2000C=CP(=O)(O)O VinylphospZTWTYVWX 43 InChI=1/C21746-03-8 147591c1ccc(cc1)c2nc(co2)c3ccccc3OXAZOLE, 2VUPXKQHL 103 InChI=1/C1838-41-5 147614CCCCCCc2cccc1ccccc12 N-HEXYLN XRJWGFXU -18 InChI=1/C12876-53-1 148477BrCCCCCCCCCCCCCCBr TetradecanSDENLXLN 50.4 InChI=1/C137688-96-3 148624N#Cc1ccc(Cl)cc1N 2-Amino-4-UZHALXIAW 161 InChI=1/C738487-86-4 148708O=[N+]([O-])c1ccc(Cl)cc1C(= Benzoic aciJGBJHRKC 48.5 InChI=1/C851282-49-6 149513C\C=C\C(C)C TRANS-4-MLGAQJENW -140.8 InChI=1/C6674-76-0 150420C\C=C\C(C)C 4-METHYL-2LGAQJENW -134.8 InChI=1/C6691-38-3 150420C\C=C\C(C)C 4-METHYL-LGAQJENW -120 InChI=1/C64461-48-7 150420OC\C=C\CO 2-BUTENE-1ORTVZLZN 25 InChI=1/C4821-11-4 153208O=C2CCCC(=O)C2C(=O)c1ccc(cMesotrion KPUREKXX 165 InChI=1/C1104206-82-8 153301COc1ccc(cc1NNC(=O)OC(C)C)D2341 (Bif VHLKTXFW 122 InChI=1/C1149877-41-8 154052O=C(c1cc(Cl)ccc1Cl)N(NC(=O)1-(2,5-DichSJEFTNKA 213.5 InChI=1/C1SRC001-96-8 154937O=S(=O)(c1ccc(C)cc1)C2(CCC1-(4-MePhSZJFXBQVT 72.5 InChI=1/C1SRC003-56-1 154994COc1nc(nc(OC)c1)Oc5cccc(OcPYRIBENZOOVXMBIVW 129 InChI=1/C3168088-61-7 155056O=C(c1ccc(Cl)cc1Cl)N(NC(=O)1-(2,4-DI LJLPDLHR 134.5 InChI=1/C1112226-97-8 157806O=S(=O)(c1ccc(C)cc1)C2(CC 1-(4-MePhXBQBUJRJ 145.5 InChI=1/C1SRC003-56-2 157820ClCC(Cl)(Cl)C(Cl)(Cl)Cl 1,1,1,2,2, OPIPOVICJ 26 InChI=1/C324425-97-6 158350CC(C)NCC(O)COc1ccc(O)cc1 PrenalterolADUKCCWB 127.5 InChI=1/C157526-81-5 158586Cn2nc(c1cc(OCC(=O)OCC)c(Cl)PYRAFLUFEAPTZNLHM 126.5 InChI=1/C1129630-17-7 159109

Tomlin Cn2nc(c1cc(OCC(=O)OCC)c(Cl)Pyraflufen-APTZNLHM 126.5 InChI=1/C1129630-19-9 159109O=C(c1ccccc1I)N(NC(=O)c2cc1-(2-IODO APOKTNFW 188.5 InChI=1/C1112226-93-4 159489Cc1cc(C)cc(c1)C(=O)N(NC(=O)1-(3,5-DI RIQWCSUN 206.5 InChI=1/C2112426-79-6 159519Clc1c(c(c(Cl)c(Cl)c1Cl)C(=O) 3,4,5,6-TetFKNVSAZG 94.5 InChI=1/C1602-21-1 160167OCc1cc(O)ccc1O Gentisyl AlPUZSUVGR 100 InChI=1/C7495-08-9 163654O=Cc1cccc2C(=O)OCCc12 ErythrocenTUADBWM 140.5 InChI=1/C150276-98-7 165975O=S(=O)(c1ncn(n1)C(=O)N(CCCafenstrol HFEJHAAIJ 115 InChI=1/C1125306-83-4 169454

EPA Fact Sheet[O-][N+](=O)N/C(=N\CC1CCODinotefuraYKBZOVFA 107.5 InChI=1/C7165252-70-0 171124CN2CCc1cc5OCOc5cc1[C@@HHYDRASTINJZUTXVTY 132 InChI=1/C2118-08-1 171234

Lukasiak,J (198O1CCN2CCO[Si]1(OCC2)Oc3c1-PHENOXYVXZOISST 217.5 InChI=1/C151466-74-1 172109Oc2c(OC)c(cc1CCNC(C)c12)OANHALONIPRNZAMQM 160.5 InChI=1/C117627-77-9 172437OOC(C)(C)c1ccc(cc1)C(C)(C) p-Diisopro REGMWDPZ 141 InChI=1/C13159-98-6 174073

Lukasiak,J (198Cc1ccc(cc1)O[Si]23OCCN(CC 1-(4-METHJSMJJRXGI 188.5 InChI=1/C151466-75-2 175795Lukasiak,J (198Clc1ccc(cc1)O[Si]23OCCN(C 1-(4-CHLO JARJVNNX 166.5 InChI=1/C151466-76-3 175797

CCCP(=O)(O)O 1-PropylphNSETWVJZ 73.8 InChI=1/C34672-38-2 177128CCOP(=S)(OCC)SCN1c2ccccc ZOLONE YAAFKGCB 43 InChI=1/C130725-71-4 180033

Tomlin (avg) O=C(Nc2ccccc2c1ccc(Cl)cc1) Boscalid WYEMLYFI 143.3 InChI=1/C1188425-85-6 184713Clc1ccc(CN(C)C(\C)=N\C#N)cACETAMIPRWCXDHFDTO 98.9 InChI=1/C1135410-20-7 184719

Tomlin (2003) Clc1ncc(CN\C(=N/[N+]([O-]) ClothianidiPGOOBECO 176.8 InChI=1/C6210880-92-5 184723Tomlin (2003) O=C(Nc1ccc(O)c(Cl)c1Cl)C2( FenhexamiVDLGAVXL 153 InChI=1/C1126833-17-8 184726

CC2(OC(=O)N(Nc1ccccc1)C2=Famoxado PCCSBWNG 141 InChI=1/C2131807-57-3 184727

OC1C(=O)OC(C(O)C=O)C1O D-GlucuronUYUXSRAD 177.5 InChI=1/C632449-92-6 190202CC(C)CCCN 4-Methyl-pQVIAMKXO -94.4 InChI=1/C65344-20-7 190378OCC(O)C(O)C(OC1OC(CO)C(OD-Fructose,RULSWEUL 168 InChI=1/C1547-25-1 190428CC6C2C(CC3C4CCC1CC(O)CCCSmilageninGMBQZIIU 185 InChI=1/C2126-18-1 190588CC6C2C(CC3C4CCC1CC(O)CCCSPIROSTAN-GMBQZIIU 200.5 InChI=1/C2126-19-2 190588CC6C2C(CC3C4CCC1CC(O)CCCTIGOGENINGMBQZIIU 205.5 InChI=1/C277-60-1 190588CC(=O)OC1C(OC(COC(C)=O)CSucrose ocZIJKGAXB 86.5 InChI=1/C2126-14-7 190652O=CC(O)C(O)C(O)C(O)COC1OMELIBIOSEAYRXSINWF 84 InChI=1/C1585-99-9 190740OC(C)C(O)C(O)C(O)C=O RhamnosePNNNRSAQ 122 InChI=1/C63615-41-6 190747OC(C)C(O)C(O)C(O)C=O L-Fucose PNNNRSAQ 140 InChI=1/C62438-80-4 190747OC(C)C(O)C(O)C(O)C=O D-Fucose PNNNRSAQ 144 InChI=1/C63615-37-0 190747OC3C(O)C(O)C(CO)OC3OC2C(MelezitoseQWIZNVHX 153 InChI=1/C1597-12-6 190749OC(C(=O)OCCCC)C(O)C(=O)OButanedioicPCYQQSKD 22 InChI=1/C187-92-3 190760O=C(CCCCCCCCCCCCCCCCC(=OCTADECANLGGDSXPO 54.5 InChI=1/C21472-90-8 190851O=C(O)C3(C)CCCC2(C)C3CCc1PodocarpicVJILEYKNA 193.5 InChI=1/C15947-49-9 191091CC(=O)C3CCC4C2CCC1=CC(=OPREG-4-ENEBFZHCUBIA 222 InChI=1/C280-75-1 191234

Merck Index (2O=C2CCC3C4CCC1(C)C(CCC1 NANDROLONPAGDVCD 118 InChI=1/C1434-22-0 191235COc1cc2c(cc1OC)N5C(=O)C BRUCINE RRKTZKIU 178 InChI=1/C2357-57-3 191250CCOc1ccc(I)cc1 4-IodophenVSIIHWOJP 29 InChI=1/C8699-08-1 191427O=C(OCc1ccccc1)c3ccccc3C( DIBENZYL UCVPKAZC 44 InChI=1/C2523-31-9 191496O=C(O)C45CCC3(C)C(=CCC2C3Urs-12-en-2WCGUUGGR 284 InChI=1/C377-52-1 191497Brc2ccc3C(=O)c1ccccc1C(=O)2-BromoantVTSDGYDT 205.8 InChI=1/C1572-83-8 191725C=C(C)C4CCC5(CO)CCC3(C)C(LUP-20(29)FVWJYYTZ 250 InChI=1/C3473-98-3 191735CC(C)C3=CCC1C(CCC2C(C)(CCLevopimariRWWVEQKP 150 InChI=1/C279-54-9 191773CC(N)(CO)C(=O)Nc1ccc(cc1) Amicetin HDNVYHWH 167 InChI=1/C217650-86-1 191888CNC(=O)OCCCC N-Methyl bYAUWHXKO 59 InChI=1/C6543-86-2 191945O=C(OCC)c2ccccc2C(=O)c1ccBenzoic aciCGWFVEFH 59.5 InChI=1/C1604-61-5 192449

Aldrich (1998) O=C(Nc1ccc(C)cc1C)CC(C)=O ButanamideHGVIAKXYA 90 InChI=1/C197-36-9 193132OCC(=O)C2CCC1C3CCC4=CC(DEOXYCORZESRJSPZ 141.5 InChI=1/C264-85-7 194204[O-][N+](=O)c1cc2C(=O)OCc21(3H)-ISO RNWGZXAH 145 InChI=1/C8610-93-5 194210c1ccc(cc1)c2oc(c(c2c3ccccc3FURAN, TEFWLFKBDH 175 InChI=1/C21056-77-5 194476

Merck Index (2O=C2CC3CCC1C4CCC(C)(O)C4(FLUOXYMEOFGHFEJL 270 InChI=1/C276-43-7 194749c3cccc4cccc(Nc2cccc1ccccc1Di-naphthaVMVGVGMR 115 InChI=1/C2737-89-3 195058O=C(O)C(OC(C)=O)c1ccccc1 BENZENEACEOBCUSTCT 97 InChI=1/C151019-43-3 195769OC(CC=O)C(O)C(O)CO D-arabino-VRYALKFF 146.5 InChI=1/C6154-17-6 196147CC4CCC5(C)CCC3(C)C(=CCC2CALPHA-AMFSLPMRQH 186 InChI=1/C3638-95-9 196214CC4(C)CCC5(C)CCC3(C)C(=CCBETA-AMYJFSHUTJD 197 InChI=1/C3559-70-6 196215Oc1ccc(cc1)C(CCC)c2ccc(O)c Phenol, 4,4GXDIDDAR 137 InChI=1/C14731-84-4 197421CC(C)CCCC(C)C1CCC2C3CCC4AllocholestUIMGHSAO 132 InChI=1/C2517-10-2 197494COC(=O)c1ccncc1 I-NICOTINIOLXYLDUS 16.1 InChI=1/C7 9/8/2459 197537OCC(=O)C2(O)CCC1C3CCC4=CCORTEXOLWHBHBVVO 215 InChI=1/C2152-58-9 197564Cc1cccc2C(=O)NC(=O)c12 PHTHALIMIABCGRFHY 134 InChI=1/C9550-44-7 198474CC(=O)Cc1ccco1 2-PropanoneIQOJTGSBE 29 InChI=1/C76975-60-6 198955O=C(CCCCCC)OCCC Heptanoic aUWZVPQKW -63.5 InChI=1/C17778-87-2 199694O=C(c1ccccc1O)N2CCOCC2 MORPHOLINTUFGIGGY 175 InChI=1/C13202-84-4 199784

OC5CC(C)CNC5C(C)c3ccc2C4VeratraminMALFODIC 206 InChI=1/C260-70-8 200149N#Cc2cnc1ccccc12 3-CYANOI CHIFTAQV 180.5 InChI=1/C95457-28-3 200562O=C(/C=C/C)c1ccccc1 2-Buten-1-FUJZJBCW 20.5 InChI=1/C1495-41-0 202113COc1ccc(cc1)C(=O)c2ccccc2CBENZOIC AUIUCGMLL 146 InChI=1/C11151-15-1 202142O=C(O)C2CCCN2C(=O)OCc1cc1,2-PYRROJXGVXCZA 77 InChI=1/C11148-11-4 202544O=C1NC(=O)OC1(C)CC 5-ETHYL-5 MGHNWMRN 46 InChI=1/C652387-52-7 202740O=[N+]([O-])c1cc(ccc1Br)C(= Benzoic aciRVCTZJVB 203.5 InChI=1/C76319-40-0 203115CC(=O)OCC4=CC3OC(=O)C2=Asperulosi IBIPGYWN 131.5 InChI=1/C114259-45-1 203427O=C2NC(=O)C=NN2C1OC(CO)6-AZAURIDWYXSYVWA 158 InChI=1/C854-25-1 203593CC6C2C(CC3C4CC=C1CC(O)CCDiosgenin WQLVFSAG 205.5 InChI=1/C2512-04-9 204155O=C3C=CC=C2N3CC1CN(C)CCCaulophyll CULUKMPM 137 InChI=1/C1486-86-2 204591O=C(O)C4(C)CCC5(C)CCC3(C)AcetoxolonFTQDJVZN 323 InChI=1/C36277-14-1 204788CC35CCC1C67COC(=O)CC7OC(Limonin KBDSLGBF 298 InChI=1/C21180-71-8 205258O=C1CCCCCCCCCCCCCCO1 Exaltolide FKUPPRZPS 32 InChI=1/C1106-02-5 205386c3cccc4cccc(Oc2cccc1ccccc1NAPHTHALENARNKHYQY 110 InChI=1/C2607-52-3 205575O=C(OCC(OC(=O)c1ccccc1)C3…-D-GlucofKAALWXOD 199 InChI=1/C3 3/3/6339 206065BrC1=CN(C(=O)NC1=O)C2CC(5-BROMODWOVKYSAH 192.5 InChI=1/C959-14-3 206128BrC(c1ccccc1)c2ccccc2 Benzene, 1OQROAIRC 45 InChI=1/C1776-74-9 206530Nc3ncnc1c3ncn1C2(CO)OC(CPSICOFURABNZYRKVSC 212 InChI=1/C11874-54-0 207145O=C1OC(c2ccccc12)(c3ccccc31(3H)-Isob WUBNJKMF 120 InChI=1/C2596-29-2 207183O=Cc1ccc(CO)o1 2-FuraldehNOEGNKMF 31.5 InChI=1/C667-47-0 207215CSc3ncnc2c3ncn2C1OC(CO)C9H-PURINEZDRFDHHA 164 InChI=1/C1342-69-8 207239Nc1cc2nccnc2cc1 6-AMINOQMSGRFBKV 159 InChI=1/C86298-37-9 207707Cc1cc2nccnc2cc1 QUINOXALIOSRARURJ 218.5 InChI=1/C96344-72-5 212051O=C5CCC4C(C)(CCC1C4(C)CCCFriedelin OFMXGFHW 263 InChI=1/C3559-74-0 213633O=C3CCC4C2CCC1CC(O)CCC13,11-DihydPIXFHVWJ 235 InChI=1/C1514-17-0 214241OC(Cc1ccccc1)(c2ccccc2)c3ccBenzeneethaQMPKJVBR 89.5 InChI=1/C24428-13-1 214300O=C2CC(CC(=O)c1cc(C)cc(C) ActiphenolYTLMIHBT 201 InChI=1/C1526-02-3 215178Oc1ccc(cc1O)C3Oc2cc(O)ccc FUSTIN FNUPUYFW 227 InChI=1/C120725-03-5 215542Cc1ccc(O)c(Cl)c1C 2-Chloro-3LOAXBLCS 27 InChI=1/C810283-15-5 216507Nc3ncnc2c3ncn2C1OC(CC1OCordycepinOFEZSBMB 225.5 InChI=1/C173-03-0 217130OCC3OC(n2cnc1cncnc12)C(ONEBULARI MRWXACST 181 InChI=1/C1550-33-4 217498OC(=O)Cc1ccc(C)cc1 P-METHYLPGXXXUZIRG 93 InChI=1/C9622-47-9 217532COc4cc2c(CC1c3c(CCN1C)cc(Boldine LZJRNLRAS 163 InChI=1/C1476-70-0 217564COc2ccccc2Oc1ccccc1 O-PHENOXROXWCQWM 79 InChI=1/C11695-04-1 217791Cc1cc(ccc1C)OP(=O)(Oc2cc(C)TRIS(3,4- BCTKCHOE 72 InChI=1/C2 11/1/3862 217911

SAX O=C2CC3CCC1C4CCC(C)(O)C4Oxandrolo QSLJIVKCV 236.5 InChI=1/C153-39-4 218095CC(=O)OCC2OC(N1N=CC(=O)6-AZAURIDQQOBRRFO 100 InChI=1/C12169-64-4 218176Clc2ccccc2c1ccccc1 2-CHLOROBLAXBNTIA 34 InChI=1/C12051-60-7 218253c1ccccc1CN2CCOCC2 4-BENZYL GVWBJJLC 194 InChI=1/C110316-00-4 218513NNC(=O)C(=O)NC(C)c1ccccc15-(a-PhenyUQXPGBTU 157 InChI=1/C193-95-8 218819Clc4ccccc4\C=C3/c1ccccc1c29-(2-Chlor KVYLEMJX 69.5 InChI=1/C21643-49-8 219644CC(=O)OC(C)C#N PropanenitrBMJFWKRW -75 InChI=1/C515657-96-2 220333CN2C1CCC2C(C(O)C1)C(=O)OEcgonine PHMBVCPL 205 InChI=1/C9481-37-8 220719Clc1ccc2c3ccc(Cl)cc3Cc2c1 2,7-Dichlo SDPURBHA 128 InChI=1/C17012-16-0 220793

CCC1CCC1 CYCLOBUTANEZRFXZYP -142.9 InChI=1/C64806-61-5 221079C\C=C\c1ccccc1 TRANS-1-PQROGIFZR -29.3 InChI=1/C9873-66-5 221082C\C=C\c1ccccc1 BETA-METHQROGIFZR -27.1 InChI=1/C9637-50-3 221082Oc1ccc(cc1Cl)C2CCCCC2 PHENOL, 2VVMQAIJC 40.5 InChI=1/C13964-61-2 221402FC(F)(F)C1=CN(C(=O)NC1=O)TRIFLURID VSQQQLOS 187.5 InChI=1/C170-00-8 221798CC(C)C(O)CC2=C(OC)c1cccc( Lunacridin VRMGQDHQ 86.5 InChI=1/C183-58-9 222484FC(F)(OC(F)(F)C(F)(F)C(F)(F)C(PerfluorohSZSAPIBC -90 InChI=1/C1424-20-4 222993ClC(Cl)(Cl)C(O)C[N+](=O)[O-] 3-Nitro-1,1AVFZWDKR 45.5 InChI=1/C3760-40-7 224304Oc1ccc(cc1)C(=O)c2c3ccccc3BenzaroneRFRXIWQYS 124.3 InChI=1/C11477-19-6 224468O=P(O)(O)OC3C(CO)OC(n2cn3'-AdenylicLNQVTSRO 197 InChI=1/C184-21-9 224592O=C3C=CC2C(C)CCC1C(=C)C(AMBROSINIFXGCKRDL 146 InChI=1/C1509-93-3 225683O=C2C=CC3(O)C(C)CCC1C(=CPARTHENI LLQCRTZR 164.5 InChI=1/C1508-59-8 225686COc1ccc(cc1)C(C)C(=O)O P-MEO-B-PKBDLTYNZ 99 InChI=1/C11929-29-9 225971Cc2ccc(NNc1ccc(C)cc1)cc2 N,N'-(4-MeAMRKNJUD 135 InChI=1/C1637-47-8 226296Cc1c3ccccc3nc1c2ccccc2 3-Methyl-2KYAXCYQV 91.5 InChI=1/C110257-92-8 226885[O-][N+](=O)c1ccc(cc1)OC2 BETA-D-GLIFBHRQDF 166.5 InChI=1/C12492-87-7 227670[O-][N+](=O)c1ccc(cc1)OC2 à-D-GLUCOIFBHRQDF 211 InChI=1/C13767-28-0 227670O=C1CCCCCCCCC1O Sebacoin DFGQDTZC 42 InChI=1/C196-00-4 227993O=C1C=CC(=CO1)C2CC6OC63ResibufogeATLJNLYIJ 155 InChI=1/C2465-39-4 228186CCn2ccc1ccccc12 1H-INDOLE,QRRKZFCX 105 InChI=1/C110604-59-8 229257OC(=O)CS(=O)(=O)CC(O)=O SulfonyldiaWDYRPTWU 182 InChI=1/C4123-45-5 229605CC(=O)C1CCC2C3CCC4CC(O)CPREGNAN-20AURFZBICL 149.5 InChI=1/C2128-20-1 230963CC(=O)C1CCC2C3CCC4CC(O)CAllopregnaAURFZBICL 177 InChI=1/C2516-54-1 230963CC(=O)C1CCC2C3CCC4CC(O)CAllopregnaAURFZBICL 194.5 InChI=1/C2516-55-2 230963OC4CC5(O)CCC1C(C(O)CC2(COUABAGENBXSABLKM 236.5 InChI=1/C2508-52-1 230970Nc3ncnc2c3ncn2C1CCC(CO) ADENOSINE,WVXRAFOP 185 InChI=1/C14097-22-7 231922O=C1C=C2CCC3C4CCC(O)(C#CNorgestrieGVDMJXQH 169 InChI=1/C2848-21-5 233076O=C(O)C1(C)CCCC2(C)C3CCC(Isopimaric MXYATHGR 160 InChI=1/C25835-26-7 234940N#Cc1ccnc2ccccc12 4-CYANOQJBSAUEMF 103.5 InChI=1/C12973-27-5 237964CCCCCCC(c1ccccc1)c2ccccc2 1,1,-DIPH MZLKNWMN 14 InChI=1/C11530-05-8 238645COC1C=CC35C(C1)N(C)CC5(OTazettine YLWAQARR 210 InChI=1/C1507-79-9 238904CC(=O)C3(C)CCC2C4CCC1=CCDemegestoJWAHBTQS 106 InChI=1/C210116-22-0 240360OC5CCC4(C)C(CCC1C4CCC2(CDIGITOXIGXZTUSOXSL 253 InChI=1/C2143-62-4 241192CC(=O)C2(C)CCC1C3C=C(C)C MedrogestHCFSGRME 144 InChI=1/C2977-79-7 242783OCc3ccccc3OC2OC(COC(=O)cPOPULIN HHSKNLJW 180 InChI=1/C299-17-2 245248O=C6Nc1ccccc1C65C2C3N(C GelsemineNFYYATWF 178 InChI=1/C2509-15-9 245682CC=1C=CNC(=O)C=1 2(1H)-PYR YBDRFJXGJ 130 InChI=1/C613466-41-6 247223ClCCN(CCCl)c1ccc(cc1)CCCC PrednimustHFVNWDWL 163.5 InChI=1/C329069-24-7 247793Oc1ccc(cc1)CC2NCCc3cc(OC)CoclaurineLVVKXRQZ 220 InChI=1/C1486-39-5 248088O=C1C(OC)=CC(C)C2CC3OC(ONeoquassi BDQNCUOD 227 InChI=1/C276-77-7 250123CC1=CN(C(=O)NC1=O)C2CC(FTHYMIDINEUXCAQJAQ 177 InChI=1/C125526-93-6 250441O=C2CCCC1C3CCCN4CCCC(CMatrine ZSBXGIUJ 76 InChI=1/C1519-02-8 251833Nc1c(cc(Cl)cc1Cl)C(N)=O BENZAMIDEPRKRQUUA 162.5 InChI=1/C736765-01-2 252690O=C(O)C2=CN(CC)c1cc(ccc1CRosoxacin XBPZXDSZ 290 InChI=1/C140034-42-2 253208OC5OCC(Cc1ccc2OCOc2c1)C 3,4-BIS(1 DIYWRNLY 131.5 InChI=1/C218423-69-3 253695

Clc1cccc2nccc(Cl)c12 4,5-DichlorSNZMBGPV 118 InChI=1/C921617-18-5 254498[O-][n+]1cc2ccccc2cc1 1(2H)-ISO RZIAABRF 212.5 InChI=1/C9491-30-5 256210CCCCCCCCCCC(CCCCCCCCCC TETRACOSABVMGLUHW 10.8 InChI=1/C355429-84-0 259995CCCCCCCCCCCC(CCCCCCCCC PENTACOSAZBOLLHDW 9.7 InChI=1/C355517-89-0 261488CCCCCCCCCCCCC(CCCCCCCC HEXACOSANIQPARKNJ 13.7 InChI=1/C355517-73-2 261489OCC1CCCN2CCCCC12 Lupinine HDVAWXXJ 70 InChI=1/C1486-70-4 262455Fc1c(C#N)c(F)c(F)cc1F 2,3,5,6-TetIOQMWOBR 34 InChI=1/C75216-17-1 262708Fc1c(cc(F)c(F)c1F)C(=O)O 2,3,4,5-TetSFKRXQKJT 86 InChI=1/C71201-31-6 262711O=[N+]([O-])c1cc(C)cc(Cl)c1 1-Chloro-3IYHHGLUL 61 InChI=1/C716582-38-0 263041CCCCCCC(CCCCCC)CCCCCC TRIDECANE,PLHNETQG -28.3 InChI=1/C17225-66-3 263781O=C(CC(C)=O)c1cccnc1 1,3-BUTANEOVPXWZQQ 85 InChI=1/C93594-37-4 265204N#Cc1nccnc1C#N 2,3-PYRAZ OTVZGAXE 132 InChI=1/C613481-25-9 265542Fc1ccc(C(=O)O)c(F)c1F 2,3,4-Trifl WEPXLRAN 141 InChI=1/C761079-72-9 267773COC(=O)c1ccc(o1)C(=O)OC 2,5-FURANUWQOPFRN 112 InChI=1/C84282-32-0 268344O=CC(O)C(O)C(OC1OC(CO)C(Cellobiose DKXNBNKW 240 InChI=1/C1528-50-7 268424O=C(C)Oc1c(cc(c(C)c1[N+]([OMedinoterbLWULXYSY 86.5 InChI=1/C1 1/6/2487 270129OC1C(O)C(CO)SC(O)C1O 5-Thio-D-gKNWYARBA 135.5 InChI=1/C620408-97-3 271575CC(C)C(C)CCC(C)C2CCC1=C3 a-ErgostenAWYDNKRG 131 InChI=1/C2632-32-6 276651CC(C)C(C)CCC(C)C1CCC2C3C CampesterSGNBVLSW 157.5 InChI=1/C2474-62-4 276676CC6C2C(CC3C4CCC1CC(O)CCCTOMATIDI XYNPYHXG 210.5 InChI=1/C277-59-8 276680C/C(C)=C\CCC(C)C1CCC2C3C DesmosterAVSXSVCZ 121.5 InChI=1/C2313-04-2 276871CC1(C)c2ccccc2NC1=O 2H-INDOL-KEZHRKOV 154.3 InChI=1/C119155-24-9 276924OCC2OC(Oc1ccccc1)C(O)C(OBETA-D-GANEZJDVYDS 154 InChI=1/C12818-58-8 277113OCC2OC(Oc1ccccc1)C(O)C(OBETA-D-GLNEZJDVYDS 177 InChI=1/C11464-44-4 277113Clc1cc(C)nn1 5-Chloro-3HUKMIFHE 118.5 InChI=1/C415953-45-4 279682OC(=O)C=1CCC(C)(C)C=1C 1-CyclopentCVPXQMUH 135 InChI=1/C95587-63-3 279792O=C(OC(=O)Cc1ccccc1)Cc2ccPhenylacetiJAUFWTSS 73.3 InChI=1/C11555-80-2 279804OC(C(N)C=O)C(O)C(O)CO Glucosami FZHXIRIB 88 InChI=1/C63416-24-8 281772O=C5CCC2(CCC1C3C=CC4=CCCANRENONUJVLDDZC 150 InChI=1/C2976-71-6 282625OC1C(O)C(O)C(CNC(=O)N(CCRanimustinAHHFEZNO 111 InChI=1/C158994-96-0 284249O=C1Cc2ccccc2N1 OXINDOLE JYGFTBXV 128 InChI=1/C859-48-3 284794CCCC#CC(=O)O Hex-2-ynoiAKYAUBWO 27 InChI=1/C6764-33-0 287294Nc1ccc(cc1)C(=O)OCCCCCCC BENZOIC AIXYYMEVN 82 InChI=1/C120043-94-1 291315OC1=C(C(C)CC\C=C(/C)C)C(= Perezone JZXORCGM 103.5 InChI=1/C13600-95-1 300841

LIDE, DR ET AL.Nc2cc3C(=O)c1ccccc1C(=O)c39,10-AnthrVMOJFUJV 281.5 InChI=1/C184-46-8 305271CC5(C)CC3C(C)(CC=C2C4(C)CTaraxerol GGGUGZHB 283.5 InChI=1/C3127-22-0 305433CC(C)C2CCC3(C)CC(O)C1(C)C Daucol VLIUMVVQ 114 InChI=1/C1887-08-1 306387O=C(C)OC1OC(CBr)C(OC(C)= AcetobromVJAPWODG 88.5 InChI=1/C1572-09-8 306631CCOc1cc(ccc1)c2ccccc2 1,1'-BIPHE WCZZIGCDP 35 InChI=1/C154852-73-2 306814O=C(C)Oc1ccc(cc1)c2ccccc2 [1,1'-BIPH MISFQCBP 89 InChI=1/C1148-86-7 306959Oc1ccc(cc1)C3CC(=O)c2c(cc( SakuranetiDJOJDHGQ 152 InChI=1/C12957-21-3 308963O=C1C=C(CO1)C3CCC4(O)C5CUzarin COIUWGNH 269 InChI=1/C320231-81-6 309301[O-][N+](=O)c2ccccc2Sc1ccccBENZENE, ZPWNCSAE 82 InChI=1/C14171-83-9 309433CCCB(O)O Boronic aciJAQOMSTT 107 InChI=1/C317745-45-8 311707

ALDRICH (2000N#CCc2cnc1ccccc12 Indole-3-acDMCPFOBL 36 InChI=1/C1771-51-7 312357

OC3C(O)C(O)C(CO)OC3OC2OGentiopicriDUAGQYUO 191 InChI=1/C120831-76-9 314628O=C1NC(=O)N(C=C1)C2CCC( URIDINE, 2BTOTXLJH 128 InChI=1/C9 9/5/5983 315874Fc1c(cccc1F)C(=O)O 2,3-DifluorJLZVIWSFU 164 InChI=1/C74519-39-5 328957COc1ccc(cc1)OC2OC(CO)C(O4-METHOXSIXFVXJM 159 InChI=1/C16032-32-2 337197Oc1ccc(cc1)C2Cc3ccc(O)cc3 Equol ADFCQWZH 189.5 InChI=1/C1531-95-3 339332CC1(C)OC(C)(CCC1C(=O)O)C( 2H-Pyran-2,KTSCHRREM 208 InChI=1/C1473-18-7 348038

Merck Index O=C(OCCCCC)NC1=NC(=O)N(CCapecitabi GAGWJHPB 115.5 InChI=1/C1154361-50-9 355054NCCN1CCOCC1 4-MorpholRWIVICVC 25.6 InChI=1/C6 3/1/2038 361265CCN(CC)CC(=O)OCC(=O)C4(OHydrocort FWFVLWGE 162.5 InChI=1/C276-47-1 361312CC(C)(C)S(=O)(=O)O 2-MethylprXCJGLBWD 113 InChI=1/C416794-13-1 362633O=C4CC3=C(CCN2CC=C1C=CCb-Erythroi PXWINCSL 99.5 InChI=1/C1466-81-9 363463CC(=O)C1CCC2C3CCC4CC(N)CFuntuminePOWBIOMT 126 InChI=1/C2474-45-3 363656COC3=CC4C2Cc1ccc(OC)c(O)SINOMENI INYYVPJSB 162 InChI=1/C1115-53-7 368395O=C1C=CC(=CO1)C2CCC3(O)CHellebrin DCSLTSSPI 283.5 InChI=1/C313289-18-4 369616OC24C5C1N(CC)CC6(COC)C(OACONINE SQMGCPHF 132 InChI=1/C2509-20-6 369805O=C(O)C2C(OC)C(O)CC3CN4CReserpic A JVHNBFFH 242 InChI=1/C283-60-3 371595CC(O)(CO)C(O)C21NC(=O)C(OBiocozamycWOUDXEYY 188 InChI=1/C138129-37-2 376959O=C(O)CCC(C)C2CCC3C4CCC Cholanic ARPKLZQLY 163.5 InChI=1/C225312-65-6 378617O=C(OC)C2(CC4CC(O)(CC)CN(Vindesine HHJUWIAN 231 InChI=1/C453643-48-4 379477Oc1ccc2CC5NCCC43C5C=CC(NormorphiONBWJWYU 273 InChI=1/C1466-97-7 380506OC(c1ccc(O)c(O)c1)C2CCCCNRimiterol IYMMESGO 203.5 InChI=1/C132953-89-2 381258OCC(=O)C3CCC4C2CCC1=CC(=CORTICOS OMFXVFTZE 181 InChI=1/C250-22-6 388799CC(=O)C2CCC3C4CCC1CC(=O)PREGNANE-3XMRPGKVK 123 InChI=1/C2128-23-4 389575CC(=O)C2CCC3C4CCC1CC(=O)3,20-Allop XMRPGKVK 200 InChI=1/C2566-65-4 389575C#CCOc1cc(c(Cl)cc1Cl)N2N AZAFENIDIXOEMATDH 168 InChI=1/C168049-83-2 391330COc2ccsc2CN(c1c(C)cccc1C)CThenylchloKDWQYMVP 73 InChI=1/C196491-05-3 391337O=C(OCCCCC)COc1cc(c(F)cc FLUMICLORIRECWLYBC 89 InChI=1/C287546-18-7 391348O=C(O)/C=C/c1ccccc1 2-PROPENOIWBYWAXJH 133 InChI=1/C9140-10-3 392447O=C(O)/C=C/c1ccccc1 CINNAMIC WBYWAXJH 133 InChI=1/C9621-82-9 392447CC=1CCCC(C)(C)C=1/C=CC(\CRETINOIC SHGAZHPCJ 181 InChI=1/C2302-79-4 392618Oc2cc(/C=C/c1ccc(O)cc1)cc( ResveratroLUKBXSAW 254 InChI=1/C1501-36-0 392875CC=1CCCC(C)(C)C=1/C=CC(\CRetinol FPIPGXGP 63.5 InChI=1/C268-26-8 393012C\C=C\C=O CROTONALMLUCVPSA -76.5 InChI=1/C44170-30-3 394562C\C=C\C=O TRANS-CR MLUCVPSA -76 InChI=1/C4123-73-9 394562Oc1ccc(cc1)C(\CC)=C(/CC)c2cDES RGLYKWWB 170.5 InChI=1/C156-53-1 395306

Merck Index OCC(=O)[C@@]4(O)[C@H](C)DEXAMETHUREBDLIC 263 InChI=1/C250-02-2 412425CC(=O)C4(OC(C)=O)CCC3C2CCFLUOROMEYRFXGQHB 297.5 InChI=1/C2 6/7/3801 432340COc3cc4CCC2C(CCC1(C)C2CCEpimestrolUHQGCIIQ 159 InChI=1/C17004-98-0 432351CC14CCCC3(C2OCCN2C1)C6CVeatchine MGAZMNWJ 119.5 InChI=1/C276-53-9 432578O=C(C)OC1CC(C)CCC1C(=C)C CyclohexanHLHIVJRLO 85 InChI=1/C157576-09-7 432658O=C(O)CCC(C)C1CCC2C3CCC4LITHOCHOLSMEROWZS 186 InChI=1/C2434-13-9 437560ClC=2C(=O)CCC3(C)C4CCC1( Clostebol KCZCIYZKS 189 InChI=1/C11093-58-9 451875CCCCCCOc1ccccc1 BENZENE, KNRQFACT -19 InChI=1/C11132-66-7 451934CC(C)(C)CCCC(C)C 2,2,6-TRI FHJCGIUZ -105 InChI=1/C11190-83-6 452368ClC(Cl)(Cl)C(Cl)COCC(Cl)C(Cl)(1,1'-OxybisLNJXZKBHJ -50 InChI=1/C6127-90-2 452470

COc1cc(cc(OC)c1OC)C(=O)O DeserpidinCVBMAZKK 230.5 InChI=1/C3131-01-1 452498CC(C)C(C(C)C)C(C)C 2,4-DIMETYVYHOOYM -81.7 InChI=1/C113475-79-1 452568

CRC Cc1ccccc1[Si](Cl)(Cl)Cl Silane, tri QAIIYJIII -25.5 InChI=1/C713835-81-9 452615CN2CCC65C3C=CC(O)C6Oc4c(benzyl morRDJGWRFT 132 InChI=1/C214297-87-1 452673OC=2C(=O)CCC3(C)C4CCC1(COxymesterRXXBBHGC 170 InChI=1/C2145-12-0 452702

Merck CC(O)(CCC)C1CC65C=CC1(OCETORPHIN CAHCBJPU 215.5 InChI=1/C214521-96-1 452704OC5(COC(=O)c1cccnc1)OC(CONicofuranoFUWFSXZK 141 InChI=1/C315351-13-0 452807

Merck Index (2CC3CC4=CC(=O)CCC4(C)C2CCCalusteronIVFYLRMM 128 InChI=1/C217021-26-0 452888CC3CC4=CC(=O)CCC4(C)C2CCBolasteronIVFYLRMM 164 InChI=1/C21605-89-6 452888C/C(C)=C\CC\C=C(\C)C 2,6-OCTADIPSOPUECG -74.4 InChI=1/C116736-42-8 452966CC(C)(C)C(C)(C)C(C)C 2,2,3,3,4 WKQBIIUO -36.4 InChI=1/C116747-44-7 452968CC(C)(C)C(C)C(C)(C)C 2,2,3,4,4 OWFKEHIC -38.7 InChI=1/C116747-45-8 452969ClC1CCC(Cl)CC1 CYCLOHEXANWQTINZDW 18 InChI=1/C616749-11-4 452970CC(S)CCCC 2-HEXANETABNPJVOP -147 InChI=1/C61679-06-7 452976

CRC Cc1ccc(cc1)[Si](Cl)(C)Cl Silane, di MRUIMSDH 57 InChI=1/C818236-57-2 453170O=[N+]([O-])C(Cl)([N+](=O)[OChlorotrin GNZCDDDP 4.5 InChI=1/CC1943-16-4 453284CCCCCCCOCC HEPTANE, UTBWZYCU -68.3 InChI=1/C91969-43-3 453298Oc1ccc(CC(NC)C(=O)O)cc1 L-Tyrosine,AXDLCFOO 293 InChI=1/C1537-49-5 453342c2cc1cc5ccccc5cc1c3cc4ccccPENTAPHEJQQSUOJI 257 InChI=1/C2222-93-5 453521Fc1c(C(=O)O)c(F)ccc1F 2,3,6-Trifl MGUPHQGQ 130.5 InChI=1/C72358-29-4 453633O=P(OCC)(OCC)N(C)C DIETHYL MSDFSXFZ 8.3 InChI=1/C6 3/7/2404 453656

DAUBERT,TE &CC(C)(S)CCCCCC tert-NonanMPBLPZLN -43.15 InChI=1/C925360-10-5 453750CNC(=O)Oc1ccc2c(c1)C3(C) Eseridine CNBHDDBN 129 InChI=1/C125573-43-7 453767OC(=O)c1c(F)cc(F)cc1F 2,4,6-Trifl SJZATRRXU 143 InChI=1/C728314-80-9 453910CCCCCCc1ccc2ccccc2c1 NAPHTHALEZGHJVWFE -3 InChI=1/C12876-46-2 453925CC(C)(CCC(C)(C)OO)OO 2,5-DimethJGBAASVQ 105 InChI=1/C83025-88-5 454000CC1(CCC(C)C1(C)C)C(=O)O CyclopentanJDFOIACP 106 InChI=1/C1464-88-0 454035O=C1CC(C)=CCC1 3-Methyl-cMHBNXZDN -21 InChI=1/C731883-98-4 454064ClC(Cl)(F)C#N ACETONITRIUHXUTRM -110 InChI=1/C2353-82-2 454210CCC#CC(C)C 2-Methyl-3POBOUPFS -116.7 InChI=1/C736566-80-0 454272FC(F)(C(F)(F)C(F)(F)F)C(F)(F)C(PerfluoronUVWPNDVA -16 InChI=1/C9375-96-2 454320CC(C)(C)C(C)N 2-ButanamiDXSUORGK -20 InChI=1/C63850-30-4 454363O=C(NN)c1cc(Br)ccc1 BENZOYLHBNAQRAZI 158 InChI=1/C739115-96-3 454393Cc2cc(C)ccc2c1ccc(C)cc1C 2,4,2',4'-T PZCRCGZQ 41 InChI=1/C13976-36-1 454408

CRC Br[Si](Br)(Br)C Silane, tr KBSUPJLT -28.4 InChI=1/CH 9/4/4095 454464CC(Cl)(Cl)CC Butane, 2,2BSRTYNDW -74 InChI=1/C44279-22-5 454552CCB(O)O Boronic aciPAVZHTXV 40 InChI=1/C24433-63-0 454591Fc1cc(C(=O)O)c(F)cc1F 2,4,5-Trifl AKAMNXFL 100 InChI=1/C7446-17-3 454604O=C1C=CC(=CO1)C3CCC4(O)CGamabufotFMTLOAVO 254 InChI=1/C2465-11-2 454630Oc3ccc4CC2C5CCCCC5(CCN2CPhenomorCFBQYWXP 244 InChI=1/C2468-07-5 454635CC1=CCC23CC1C(C)(C)C3CCCCedrene IRAQOCYX 262.5 InChI=1/C111028-42-5 454638OCCc3c4ccccc4nc3C2CC1CC CinchonamYAUKSCGK 186 InChI=1/C1482-28-0 454663CC(C)(O)C1CCC(C)C=2CCC(C) 5-AzulenemeTWVJWDMO 91 InChI=1/C1489-86-1 454675Brc1cc2ncccc2cc1 7-BROMOQXYBSZCUH 34 InChI=1/C94965-36-0 454686CN3CCC45c6c2ccc(OCCN1CCPHOLCODIGPFAJKDE 91 InChI=1/C2509-67-1 454729

CCCCCCCCOC(=O)CCCCCC Heptanoic aXAZROQGR -22.5 InChI=1/C15132-75-2 454746ALDRICH (2000C=CC(C)(O)CCC1C2(C)CCCC(CSclareol XVULBTBT 97 InChI=1/C2515-03-7 454751

CC2(O)CCC1C3CC=C4CC(O)CCMethandrioWRWBCPJQ 206 InChI=1/C2521-10-8 454783CC(=C)C2CCC(C)=CC2c1c(O)cCannabidioQHMBSVQN 67 InChI=1/C213956-29-1 454786CC1CCCSC1 2H-THIOPYWTPRCAYZ -60 InChI=1/C65258-50-4 454803O=C2CCC3C4CCC1(C)C(CCC1(NorethandZDHCJEIG 140.5 InChI=1/C252-78-8 454812CC(C)(C)C(C)(CC)CC 3-ETHYL-2 AJDIFHIHS -42.5 InChI=1/C152897-17-3 454840C=C(C)C4CCC5(C)CCC3(C)C(CLupeol MQYXUWHL 216 InChI=1/C3545-47-1 454916CC1(C)C2CC3C(C)CCC1(O)C3(1,6-MethanGGHMUJBZ 56 InChI=1/C15986-55-0 455259CC(=O)C2(O)CCC1C3CCC4=CC17-ALPHA DBPWSSGD 222.5 InChI=1/C268-96-2 455281COc1ccnc2ccccc12 QUINOLINERWTCJCUE 41 InChI=1/C1607-31-8 455291OC(=O)CCCC(C)C(=O)O 2-METHYLHJZUMVFML 64 InChI=1/C7626-70-0 455411[2H]C([2H])([2H])C(=O)C([2H]1,1,1,3,3 CSCPPACG -98.3 InChI=1/C3666-52-4 455535CCCCCCCOC(=O)CCCCCCCC Nonanoic acARSLOAKO -15.5 InChI=1/C171605-85-1 455712

Merck Index (2O=C3C=C4CCC2C(CCC1(C)C2CMethandroXWALNWXL 163.5 InChI=1/C272-63-9 455746CC(C)CCCC(C)C2CCC1C3CC=CCHOLESTA-RLHIRZFW 80 InChI=1/C2747-90-0 455831Cc1ccc2CC(C)CCc2c1 NAPHTHALEDXRBFZCGS 20 InChI=1/C17524-63-2 455847CC(N)O Acetaldeh UJPKMTDF 97 InChI=1/C 75-39-8 455852CC3CCC1C23CC(C1(C)C)C(C)(Cedrol SVURIXND 86 InChI=1/C177-53-2 455926

CRC C[Si](c1ccccc1)(c2ccccc2)c3c Silane, metGIGVICQL 69.5 InChI=1/C1791-29-7 455964OC5CC6=CCC1C(CCC2(C)C3C(Solanidine JVKYZPBMZ 218.5 InChI=1/C280-78-4 455985C/C(C)=C\CC(=C)C 2,5-DIMETJRFKHZNU 14 InChI=1/C8764-13-6 456246OOC(=O)c1ccccc1 PerbenzoicXCRBXWCU 42 InChI=1/C793-59-4 456283

Lukasiak,J (198Cc1cc(ccc1)O[Si]23OCCN(CC 1-(3-METHOZMGDSKO 166 InChI=1/C171357-27-2 457729CC(C)CC(=O)OC1CC4(COC(C) T-2 Toxin BXFOFFBJR 151.5 InChI=1/C221259-20-1 461455O=C(O)CC#CCCCCC 3-NONYNOIZGMVHFLYJ 17 InChI=1/C956630-33-2 465440O=C(O)CCCCC#CCC 6-NONYNOIJYHVTTAH 14 InChI=1/C956630-31-0 465502CC(=O)C2(O)CCC1C3CCC4CC(AllopregnaLKQDFQLS 265 InChI=1/C2570-54-7 467703OC1CC(C(=O)O)N(C1)C(=O)C L-Proline, BAPRUDZD 132 InChI=1/C733996-33-7 468812O=C1C=C(CO1)C2CCC3(O)C4CCYMARIN XQCGNURM 148 InChI=1/C3508-77-0 469424CC(=O)OCC(=O)C3(O)C(CC2CTRIAMCINOXGMPVBXK 235 InChI=1/C267-78-7 469587CC(=O)c1ccc(cc1)OC2OC(CO)Picein GOZCEKPK 195.5 InChI=1/C1530-14-3 469882CC(=O)SC3CC1=CC(=O)CC(SC(Tiomester YUOZKOLA 205.5 InChI=1/C22205-73-4 471146

CRC (2007) CC(=O)C2(O)CCC1C3CC(C)C4 MedroxyprFRQMUZJS 214.5 InChI=1/C2520-85-4 471209CC(=O)OC2(C#C)CCC1C3CCC NorethindrIMONTRJL 161.5 InChI=1/C251-98-9 471291O=C1C=CC(=CO1)C3CCC4(O) Scillarenin OVUOVMIM 235 InChI=1/C2465-22-5 471784

ALDRICH (2000C=CC(=O)OC1CC2CCC1(C)C2(2-PropenoicPSGCQDPC 97 InChI=1/C15888-33-5 473659LIDE,DR ET AL.CCC(=O)OC2CCC3(C)C4CCC1(AndrosteneZDDFOEZP 113 InChI=1/C22297-30-5 475967

CC(=O)NC2CCc3cc(OC)c(OC)cThiocolchicCMEGANPV 193 InChI=1/C22730-71-4 475988OC=1C(=O)C(=O)C(=O)C=1O 4-CYCLOPERBSLJAJQO 150 InChI=1/C5488-86-8 476003OC7C(O)C(O)C(CO)OC7OC(=OStevioside UEDUENGH 198 InChI=1/C357817-89-7 477115OC1C(C)OCC(O)C1O Digitoxose KBVSUNBC 112 InChI=1/C6527-52-6 477149O=C(O)CCCCCCCBr 8-BROMOOBKJFDZSB 38.5 InChI=1/C817696-11-6 477171C1CCCC2NC12 7-AZABICYDINLIZUFV 21 InChI=1/C6286-18-0 477892CC(C)SC1OC(CO)C(O)C(O)C1 1-ISOPROPBPHPUYQF 121 InChI=1/C9367-93-1 480698

O=C2N=C(Oc1ccccc12)c3cccc4H-3,1-BenGWDYJKXS 123.5 InChI=1/C11022-46-4 482968O=S(=O)(CC(=O)OC)c1ccccc1Methyl pheNLEAIFBN 35 InChI=1/C934097-60-4 483123

ALDRICH (2000ClI(c1ccccc1)c2ccccc2 Iodonium, dMIVGWMPX 234 InChI=1/C11483-72-3 483234O=C(O)CCCC#CCCC 5-NONYNOIGIMQQWKA -3 InChI=1/C956630-34-3 483541CC34CCC1C(CCC2CC(O)CCC1(3a,5a)-An KRVXMNNR 142.75 InChI=1/C11153-51-1 483778CC1(C)CCCCC1O CYCLOHEXABYBYZPFV 8 InChI=1/C81193-46-0 484756

Ullmann EncycCC(SCCSP(=O)(OC)OC)C(=O)NVAMIDOTHLESVOLZBI 43 InChI=1/C82275-23-2 486975O=C(OCc1ccccc1)c2ccccc2C BENZYL SAIRNSYGIUG 130.5 InChI=1/C1118-58-1 488924CCC(C)c1ccc(cc1)C(C)C(=O)O IBUPROFE OWMZINYE 76 InChI=1/C115687-27-1 489395O=C(O)CC(C)n2nnc1ccccc12 1H-BENZOTFEKISXNJR 150 InChI=1/C1654-13-7 489716Fc1c(C(=O)O)c(F)c(F)cc1F 2,3,5,6-TetKVLBXIOFJ 151 InChI=1/C7652-18-6 493409Nc1cc(C)ncn1 6-METHYL-LAERIBHK 197 InChI=1/C53435-28-7 498057OC(=O)CCN1C(=O)C=CC1=O N-MALEOYLIUTPJBLLJ 104.5 InChI=1/C77423-55-4 498738CC5CC1CCC(O1)C(C)C(=O)OC(Nonactin RMIXHJPM 147.5 InChI=1/C46833-84-7 499265CC(C)N(CCOP(C)OCCN(C(C)C)CBIS(2-DII ZQNQMEWG 77.5 InChI=1/C157856-12-9 499961BrC1c2ccccc2CC1Br 1H-INDENEBCGMAKWN 32 InChI=1/C920357-79-3 500588ClC(Cl)(Cl)I trichloroi SFLKZLQXO -7.8 InChI=1/CC594-22-9 500855S=C(c1ccccc1)c2ccccc2 METHANETHXDDVRYDD 53.5 InChI=1/C11450-31-3 502886OCC(=O)C4(OC(=O)CCCC)C(CBETAMETHSNHRLVCM 183.5 InChI=1/C22152-44-5 503068OCC(=O)C54OC(C)(C)OC5CC3Desonide WBGKWQHB 274 InChI=1/C2638-94-8 503087O=C3C=C4CCC2C(CCC1(C)C2CBoldenoneRSIHSRDY 165 InChI=1/C1846-48-0 503228Oc1cccc(NCC)c1 3-(ETHYLA TVKZDKSH 62 InChI=1/C8621-31-8 503263CC(=O)N5C1CCC3(CC)CCCN2CAspidospe ARQOGCYM 208 InChI=1/C2466-49-9 504089O=C(O)C1=CCCc2ccccc12 1-NaphthaleJNPFDSPG 125 InChI=1/C13333-23-1 506193CCCCCCc1ccc2CCCc2c1 1H-INDENE,HCJRTBCE -34 InChI=1/C154889-55-3 506803

Merck Index (2CC(=O)OCC(=O)C4(O)CCC3C2MethylpredPLBHSZGD 206.5 InChI=1/C253-36-1 508102O(C2OCC1C(OCC12)c3ccc4OCSesamolin ZZMNWJVJ 93.5 InChI=1/C2526-07-8 509377FC(F)(F)C(=C)C(=O)O 2-(Trifluor VLSRKCIBH 51.5 InChI=1/C4381-98-6 510851O=C(OC)c2cnc1ccccc12 1H-INDOLEQXAUTQFA 150.5 InChI=1/C1942-24-5 512092c1ccc(cc1)N2CCC=N2 1H-PYRAZOIUHNMXNP 52 InChI=1/C9936-53-8 512530c1ccc(cc1)C=2CCNN=2 1H-PYRAZOAZPXELGX 45.8 InChI=1/C9936-48-1 512652

Merck Index CC(C)CCCCCCOC(=O)c1ccccc DIISONONYHBGGXOJO -48 InChI=1/C228553-12-0 513622OC1=C(O)C=C(C=C(O)C1=O)CPuberulic ARRDGXYZZ 317 InChI=1/C899-23-0 515376O=S(=O)(CC(=O)OC)c1ccc(Br)ACETIC AC CNEVNTZD 82 InChI=1/C950397-65-4 515853OC1=CC=C(C\C=C(/C)C)C(=CCProcerin JGONUWOE 71.5 InChI=1/C1552-96-5 516880ClC=2c1ccccc1C(=O)C(=O)C=23,4-Dichlo JDQAAXMS 184 InChI=1/C118398-36-2 518018Oc1ccc(CC(NC(C)=O)C(N)=O)TYROSINE-RJNKBEQR 224 InChI=1/C11948-71-6 518032O=Cc1ccc(Br)o1 2-FurancarWJTFHWXM 83.5 InChI=1/C51899-24-7 521915O=C(O)c2cccn2CCc1cc(OC)c(Peyonine DDYNENGL 132 InChI=1/C119717-25-0 523536Nc1c(C(=O)O)c(Cl)ccc1Cl 2-Amino-3,MMIREQFM 155 InChI=1/C73032-32-4 525531O=C(O)CC1(C)CCC3(O1)C(C)=Grindelic AXLWWERNK 100.5 InChI=1/C21438-57-9 527785Clc1cc(Cl)nc2ccccc12 2,4-Dichlo QNBJYUUU 67.5 InChI=1/C9703-61-7 528072OC45CCC(C1=CC(=O)OC1)C5(DIGOXIGENSHIBSTMR 222 InChI=1/C21672-46-4 529067OC5CCC4(C)C(CCC1C4CCC2(CGITOXIGENPVAMXWLZ 234 InChI=1/C2545-26-6 529321O=C(O)C(Cc1ccccc1)NC(=O)cOchratoxinDAEYIVCT 221 InChI=1/C24825-86-9 529965

COc6cc7CCN(C)C(Cc5cc(OC)cThalicarpinZCTJIMXXS 160.5 InChI=1/C45373-42-2 530199COc1cc2C(=O)NCCc2cc1OC MQKFSXLB 175 InChI=1/C1493-49-2 530343Cc2c(Nc1ccccc1C(=O)O)cccc2TOLFENAMIYEZNLOUZ 207.25 InChI=1/C113710-19-5 530683COc2ccccc2c1ccccc1OC 1,1'-BIPHE VGMKUVCD 155 InChI=1/C14877-93-4 531832c1ccc(cc1)c2ncoc2c3ccccc3 OXAZOLE, 4ODKHOKLX 44 InChI=1/C14675-18-7 533281CC1c2cc(OC)c(OC)c(O)c2CCNGigantine HRJQUAXW 151.5 InChI=1/C132829-58-6 533407Cc1ccc(O)c(I)c1 Phenol, 2- JITSLEIKS 35 InChI=1/C716188-57-1 535697O=C4CC3CCC2C(CCC1(C)C2CCMesterolo UXYRZJKIQ 204 InChI=1/C21424-00-6 535912OC(C(Cc1ccc(Cl)cc1)n2cncn2)PACLOBUTRMOGWMIK 165.5 InChI=1/C176738-62-0 536024COc1c(cc(CC=C)c(OC)c1OC)OBENZENE, HRAXJWRH 25 InChI=1/C115361-99-6 536429OCC(=O)C3(O)CCC2C1CCC4CCTetrahydroSYGWGHVT 190 InChI=1/C253-05-4 537175OCC(=O)C3(O)CCC2C1CCC4CCAllotetrah SYGWGHVT 213 InChI=1/C2547-77-3 537175OCC(=O)C3(O)CCC2C1CCC4CCAllopregnaSYGWGHVT 240 InChI=1/C2516-45-0 537175OCC(=O)C4(O)CCC3C2CCC1CCAllopregnaAODPIQQI 244.5 InChI=1/C2302-91-0 537828CC1C2C(O)CC3(C)C=CC(=O)C Artemisin LUHMMHZL 203 InChI=1/C1481-05-0 540153O=C(O)C2C=C1c3cccc4ncc(CCLysergic AcZAGRKAFM 240 InChI=1/C182-58-6 541006COc2cc3OC1c4ccc(O)cc4OCCMedicarpinNSRJSISND 128 InChI=1/C132383-76-9 541329C/C(C)=C\CCC(C)C2CCC1C3= CHOLESTA-8PKEPPDGGT 110 InChI=1/C2128-33-6 541433Cc2cc3C(=O)CC1C(C)(CCCC1(Nimbiol XVAVQANU 250 InChI=1/C1561-95-5 541613OCC(O)C3(O)CCC2C4CCC1=CC4-PregneneXNFSGLNH 190 InChI=1/C2128-19-8 543422CCN(CC)C(=O)C4C=C1C(Cc2c(BromolyserVKRAXSZE 123.5 InChI=1/C2478-84-2 544885CC(=O)C2(O)C(O)CC1C3CCC4Algestone CXDWHYOB 225 InChI=1/C2595-77-7 545025CC(=O)C3CCC2C1CCC4=CC(=O11-KetoproWKAVAGKR 172 InChI=1/C2516-15-4 547107CC(=O)Oc3cc4CCC2C(CCC1(CColpormonQZQSENRW 179.5 InChI=1/C21247-71-8 547129CC(C)(C)CC(=O)OCC(=O)C54OTRIAMCIN TZIZWYVVG 295 InChI=1/C35611-51-8 549640O=C1C=CC(=CO1)C2C(OC(C)=CinobufotaKBKUJJFD 260.5 InChI=1/C21108-68-5 549801Oc1cccc2c1N5C(=O)CC4OCC Vomicine ZMTYENXG 282 InChI=1/C2125-15-5 549808C\C=C\C(=O)O (Z)-2-BUTELDHQCZJR 15 InChI=1/C4503-64-0 552744C\C=C\C(=O)O CROTONIC LDHQCZJR 72 InChI=1/C4107-93-7 552744C\C=C\C(=O)O CROTONIC LDHQCZJR 72 InChI=1/C43724-65-0 552744

CRC HandbookO=C\C=C\c1ccccc1 3-PHENYL-KJPRLNWU -7.5 InChI=1/C9104-55-2 553117O=C\C=C\c1ccccc1 trans-Cinn KJPRLNWU -7.5 InChI=1/C914371-10-9 553117

Daubert & DanO=C(O)CCCCCCC\C=C\CCCCCOLEIC ACIDZQPPMHVW 13.37 InChI=1/C1112-80-1 553123O=C(O)CCCCCCC\C=C\CCCCCELAIDIC ACZQPPMHVW 45 InChI=1/C1112-79-8 553123COc1ccc(/C=C/C)cc1 ANETHOLERUVINXPY 21.3 InChI=1/C1104-46-1 553166COC(=O)/C=C/C(=O)OC METHYL MLDCRTTXIJ -19 InChI=1/C6624-48-6 553171

Sax (1999) COC(=O)/C=C/C(=O)OC 2-BUTENEDILDCRTTXIJ 88.5 InChI=1/C6624-49-7 553171O=C(/C=C/c1ccccc1)OCC CINNAMIC KBEBGUQP 7 InChI=1/C1103-36-6 553344O=C(/C=C/c1ccccc1)c2ccccc2BENZALAC DQFBYFPF 57.5 InChI=1/C194-41-7 553346O=C(/C=C/c1ccccc1)c2ccccc2Phenyl (2-pDQFBYFPF 59 InChI=1/C1614-47-1 553346COc1cc(ccc1OC)\C=C\C Benzene, 1NNWHUJCU 18 InChI=1/C193-16-3 553362

ALDRICH (2000Clc1ccc(/C=C/C(=O)O)cc1 Cinnamic acGXLIFJYF 249 InChI=1/C91615-02-7 553383C\C(=C/c1ccccc1)C(=O)O ALPHA-METXNCRUNXW 80 InChI=1/C11199-77-5 553403CCCC\C=C\CCCC cis-DeceneUURSXESK -112 InChI=1/C17433-78-5 553406CCCC\C=C\CCCC trans-5-DeUURSXESK -73 InChI=1/C17433-56-9 553406

C=1C=CC=CC=CC=1 1,3,5,7-C KDUIUFJB -4.7 InChI=1/C8H629-20-9 553448C\C=C\C#N 2-BUTENENINKKMVIVF -51.5 InChI=1/C4627-26-9 553494

DAUBERT,TE &C\C=C\C#N 2-ButenenitrNKKMVIVF 201 InChI=1/C41190-76-7 553494Br\C=C\Br 1,2-Ethyle UWTUEMKL -53 InChI=1/C2540-49-8 553502Br\C=C\Br ETHENE, 1,UWTUEMKL -53 InChI=1/C2590-11-4 553502Br\C=C\Br ETHENE, 1,UWTUEMKL -6.5 InChI=1/C2590-12-5 553502N#C\C=C\C#N 2-BUTENEDIKYPOHTVB 96.8 InChI=1/C4764-42-1 553503CC=1CCCC(C)(C)C=1/C=CC(\CRetinal NCYCYZXNI 63 InChI=1/C2116-31-4 553582O=C(/C=C/C=C/c1ccc2OCOc21-PIPEROYLMXXWOMGU 131.5 InChI=1/C194-62-2 553590CC\C=C\CC 3-HEXENE, ZQDPJFUHL -137.8 InChI=1/C6 9/3/7642 553629CC\C=C\CC trans-3-HeZQDPJFUHL -115.4 InChI=1/C613269-52-8 553629CC\C=C\CC 3-HEXENE ZQDPJFUHL -90 InChI=1/C6592-47-2 553629C\C=C(/C)C(C)C 3,4-DIMETPPBWEVVD -124.2 InChI=1/C724910-63-2 553631C\C=C\C=C\C 2,4-HexadiAPPOKADJ -79 InChI=1/C6592-46-1 553634C\C=C\C=C\C 2,4-HEXADAPPOKADJ -44.9 InChI=1/C65194-51-4 553634C1CC=CCCCC1 CyclooctenURYYVOIY -12 InChI=1/C8931-87-3 553642C1C=CCCC=CCCC=CC1 1,5,9-CYC ZOLLIQAK -17 InChI=1/C14904-61-4 553643C(=C/c1ccccc1)\c2ccccc2 STILBENE (PJANXHGT 123 InChI=1/C1103-30-0 553649C(=C/c1ccccc1)\c2ccccc2 STILBENE PJANXHGT 124 InChI=1/C1588-59-0 553649

ChemFinder (2Cl\C=C\C(=O)O Acrylic acidMHMUCYJK 82 InChI=1/C32345-61-1 553684O=C(O)\C=C(\C)C(=O)O Citraconic HNEGQIOM 93.5 InChI=1/C5498-23-7 553689C\C=C\C(=O)OC 2-Butenoic MCVVUJPX -42 InChI=1/C5623-43-8 553692O=C(/C=C/C(=O)OCC)OCC 2-ButenedioIEPRKVQEA 1.5 InChI=1/C8623-91-6 553702Cl\C=C\Cl 1,2-DICHL KFUSEUYY -57 InChI=1/C2540-59-0 553742Cl[C@H]=CCl 1,2-DICHL KFUSEUYY -49.8 InChI=1/C2156-60-5 553742CC\C=C\CCCC 3-OCTENE, YCTDZYMM -126 InChI=1/C814850-22-7 553784CC\C=C\CCCC 3-OCTENE, YCTDZYMM -110 InChI=1/C814919-01-8 553784

LIDE,DR ET AL.O=C(/C=C/c1ccccc1)c2ccccc 2'-HydroxyAETKQQBR 90 InChI=1/C11214-47-7 553827Oc1ccc(cc1OC)/C=C/[N+]([O-B-NITRO-4 XVXCSPJS 169 InChI=1/C96178-42-3 553960

Aldrich (1998) ClC\C=C\c1ccccc1 Benzene, ( IWTYTFSST -19 InChI=1/C9 12/9/2687 555070CCC\C=C\C 2-HEXENE RYPKRALM -133 InChI=1/C64050-45-7 555073CCC\C=C\C HEXENE - MRYPKRALM -98 InChI=1/C625264-93-1 555073CCC\C=C\C 2-HEXENE RYPKRALM -98 InChI=1/C6592-43-8 555073CCC\C=C\C 4-OCTENE RYPKRALM -93.8 InChI=1/C614850-23-8 555073C\C=C\CCCC 2-HEPTENEOTTZHAVK -109.5 InChI=1/C714686-13-6 555074CN(C)c2ccc(/C=C/c1ccccc1)c BENZENAMIXGHHHPDR 150 InChI=1/C1838-95-9 555409Cc1ccc2cnccc2c1 6-MethylisPPEJLOXO 85.5 InChI=1/C142398-73-2 556289O=C(O)\C=C(/Br)C(=O)O BROMOMALSOWPGKJP 141 InChI=1/C4584-99-6 556534O=C(O)\C=C(/Br)C(=O)O BROMOFUMSOWPGKJP 184.3 InChI=1/C4644-80-4 556534BrC\C=C\CBr 2-Butene, 1RMXLHIUH 53.4 InChI=1/C4821-06-7 556548C\C=C\C=C\CO 2,4-HexadiMEIRRNXM 30.5 InChI=1/C6111-28-4 556559C\C=C\C=C\CO 2,4-HexadieMEIRRNXM 30.5 InChI=1/C617102-64-6 556559COc2ccc(/C=C/c1ccc(OC)cc1)BENZENE, 1CAWFCZIE 214.5 InChI=1/C14705-34-4 556587O=C(OCC)c1cc2ccccc2o1 2-BENZOFUKAWQPOUW 30.5 InChI=1/C13199-61-9 556657C[C@H]1C[C@H](O)CCC1 3-METHYLCHTSABYAW -0.5 InChI=1/C77443-55-2 556902

COc2ccc(/C=C/C(=O)c1ccccc12-PROPEN-XUFXKBJM 79 InChI=1/C1959-33-1 557051C=C\C=C\C(=O)O Penta-2,4-dSDVVLIIV 79 InChI=1/C5626-99-3 557262CC(C)/C=C/C(=O)O 2-PentenoicQAOXMQC 35 InChI=1/C610321-71-8 557267ClC\C=C\CCl 1,4-DICHL FQDIANVA 2 InChI=1/C4110-57-6 557415ClC\C=C\CCl 1,4-DICHL FQDIANVA 3.5 InChI=1/C4764-41-0 557415C\C=C(/C)CC 2-Pentene, BEQGRRJLJ -134.8 InChI=1/C6922-62-3 557853C\C(Cl)=C/C(=O)O 2-Butenoic XBOTUWG 61 InChI=1/C46213-90-7 558308C/C(Cl)=C/C(=O)O 3-ChlorocroXBOTUWGQ 61 InChI=1/C46214-28-4 558309OC(=O)/C=C/c1ccco1 2-PROPENOIZCJLOOJR 143 InChI=1/C7539-47-9 558553C\C=C\C=C\C(=O)O SORBIC ACWSWCOQW 134.5 InChI=1/C6110-44-1 558605C\C=C(\C)C(C)C 2-PENTENE,PPBWEVVD -124.2 InChI=1/C74914-92-5 558882C\C=C(\C)C(C)C 2-PENTENE,PPBWEVVD -113.4 InChI=1/C74914-91-4 558882C=C\C=C/C 1,3-PENTADPMJHHCWV -140.8 InChI=1/C51574-41-0 558883C\C=C/C=C/C 2,4-HEXADIAPPOKADJQ -96.1 InChI=1/C65194-50-3 558884OC\C=C/CO 2-BUTENE-1ORTVZLZNO 4 InChI=1/C46117-80-2 558888Cl[C@H]=CCl 1,2-DICHL KFUSEUYY -80 InChI=1/C2156-59-2 558928CCC/C=C\C 2-HEXENE (RYPKRALM -141.1 InChI=1/C67688-21-3 558930C\C=C(\C)CC trans-3-MeBEQGRRJLJ -138.5 InChI=1/C6616-12-6 559027CC(=O)NC2=Nc1c(ncn1COCCON2,O-DiacetVBHLKZHS 204 InChI=1/C175128-73-3 567612

Merck S=C1NC(CCC)=CC(=O)N1 PropylthiouKNAHARQH 220 InChI=1/C751-52-5 571424CCCc1cc(ccn1)C(N)=S ProtionamiVRDIULHP 136.7 InChI=1/C914222-60-7 579891CN(C)CC\C=C1\c3ccccc3Sc2ccCHLORPROWSPOMRSO 97.5 InChI=1/C1113-59-7 580849CNC(=O)Oc1cc2c(cc1)N(C)[ PHYSOSTI PIJVFDBK 105.5 InChI=1/C157-47-6 580875O=C1NC(=S)NC(=O)C1(CC)CCTHIOBARBIQGVNJRRO 180 InChI=1/C877-32-7 580885O=C(OCC)C(=C/c1ccccc1)/C#2-CYANO-3KCDAMWRC 51 InChI=1/C12025-40-3 581455Cl\C(=C(\Cl)c1ccccc1)c2ccccc1,2-DICHL FTIHFTVX 143.5 InChI=1/C1951-86-0 581495S=C(Nc1ccccc1)c2ccccc2 BENZENECABOQKCADL 102 InChI=1/C1636-04-4 581525O=C(O)CCC(/C)=C\Cc1c(O)c2MycophenolHPNSFSBZ 141 InChI=1/C124280-93-1 584320Cc1nnc(C)c1Cl 4-Chloro-3JGTUBTJL 117.5 InChI=1/C515953-73-8 586574S=C(N)Nc1ccccc1 N-PHENYL FULZLIGZ 154 InChI=1/C7103-85-5 589165O=[N+]([O-])c1cc(/C=C/C(=O m-NitrocinWWXMVRYH 179 InChI=1/C9555-68-0 598732S=C(Nc1ccc(C)cc1)Nc2ccc(C) 1,3-Di-p-toULNVBRUI 183 InChI=1/C1621-01-2 599516

LIDE,DR ET AL.Clc1cc(Cl)ccc1/C=C/C(=O)O 2,4-Dichlo MEBWABJH 234 InChI=1/C91201-99-6 599520ALDRICH (2000S=C(Nc1ccccc1C)Nc2ccccc2CThiourea, NKWPNNZKR 158 InChI=1/C1137-97-3 599522Merck (2006) C\C(CO)=C\CNc1ncnc2ncnc1Zeatin UZKQTCBA 207.5 InChI=1/C11637-39-4 600017

Sc1nc2ccccc2s1 2-MERCAPYXIWHUQX 181 InChI=1/C7149-30-4 608157ALDRICH (2000O=C3O/C(=C/c1ccccc1)c2cccBenzylidenYRTPZXME 100.5 InChI=1/C1575-61-1 610569

OC(=O)\C(=C/c1ccccc1)c2cccALPHA-(PHBIDDLDNG 172.5 InChI=1/C13368-16-9 610579S=C(Nc1ccccc1)Nc2ccccc2 THIOCARBAFCSHMCFR 154.5 InChI=1/C1102-08-9 610932Sc1nc2ccccc2n1 O-PHENYL YHMYGUUI 298 InChI=1/C7583-39-1 616466CN2CCCN=C2/C=C/c1cccs1 PYRANTEL YSAUAVHXT 178.5 InChI=1/C115686-83-6 618121COc1cc(ccc1OC)/C=C/C(=O)OCINNAMIC HJBWJAPEB 182 InChI=1/C12316-26-9 626174

Aldrich (1998) CCOc1ccc2NC(=S)Sc2c1 2(3H)-BenzHOASVNMV 199 InChI=1/C9120-53-6 627838FC(F)(F)c1cccc(/C=C/C(=O)O)2-PropenoicKSBWHDDG 136 InChI=1/C1779-89-5 627944FC(F)(F)c1ccccc1/C=C/C(=O) 2-(Trifluor AMVYAIXP 206 InChI=1/C12062-25-1 628106

ALDRICH (2000COc1ccccc1NC(N)=S Urea, 1-(o HXCHZMHF 156 InChI=1/C81516-37-6 630947ALDRICH (2000S=C(Nc1ccccc1)NN HydrazinecKKIGUVBJO 139 InChI=1/C75351-69-9 638258

COc1ccccc1/C=C/C(=O)O 2-PROPENOIFEGVSPGU 95 InChI=1/C114737-91-8 641429ALDRICH (2000COc1c(cc(cc1OC)/C=C/C(=O) 3,4,5-Trim YTFVRYKN 127 InChI=1/C190-50-6 642910

O=[N+]([O-])c1cc(ccc1Cl)C(= 4-Chloro-3-XRTKWPWD 83 InChI=1/C814719-83-6 642951ALDRICH (2000Fc1ccccc1/C=C/C(=O)O Cinnamic acIOUDZAFB 179 InChI=1/C9451-69-4 642987ALDRICH (2000O=[N+]([O-])c1ccccc1/C=C/C Cinnamic acBBQDLDVS 244 InChI=1/C9612-41-9 643069

O=C(C)/C=C/c1ccco1 3-BUTEN-2-GBKGJMYP 39.5 InChI=1/C8623-15-4 643086O=C1NC(=S)NC=C1C(=O)OCC5-PYRIMIDFQFSHLBW 252 InChI=1/C738026-46-9 643098NC(=S)Nc2cccc1ccccc12 N-1-NAPTHPIVQQUNO 198 InChI=1/C186-88-4 643492OC(=O)/C=C/c1cncn1 2-PropenoicLOIYMIAR 225 InChI=1/C6104-98-3 643824Clc1ccccc1NC(N)=S 1-(O-CHLOYZUKKTCD 146 InChI=1/C75344-82-1 644204

ALDRICH (2000Brc1ccc(/C=C/C(=O)O)cc1 2-PropenoiCPDDDTNA 263 InChI=1/C91200-07-3 644222Brc1cc(/C=C/C(=O)O)ccc1 M-BROMOCYEMUSDCF 178 InChI=1/C932862-97-8 678734S=C(C)Nc1ccccc1 THIOACETAMWCGLTCR 77.5 InChI=1/C8637-53-6 717112Fc1cc(cc(F)c1F)C(=O)O 3,4,5-Trifl VJMYKESY 98 InChI=1/C7121602-93-5 745581Clc1cc(F)c(NC(C)=O)cc1 2-FLUORO-GVRKNSAE 48.5 InChI=1/C859280-70-5 745600O=S(=O)(CC(=O)OC)c1ccc(Cl)Methyl (4- RWMPWXCE 85 InChI=1/C915446-25-0 758458O=C(O)c2cccc1c2cccc1Cl 5-Chloro-nCPGDMBAS 245 InChI=1/C116650-52-5 816005Oc1ccc(cc1OC)/C=C/C(=O)CC(CURCUMINVFLDPWHF 183 InChI=1/C2458-37-7 839564

ALDRICH (2000Sc1nccn1 2-MercaptoOXFSTTJB 229.5 InChI=1/C3872-35-5 1013196Cc1csc(S)n1 2(3H)-ThiaNLHAIPFB 89.3 InChI=1/C4 6/3/5685 1013221S=C1NC(=O)CS1 4-ThiazolidKIWUVOGU 170 InChI=1/C3141-84-4 1013337C/C(=C/c1ccccc1)c2ccccc2 1,1'-(1-ME OVZXISBU 82 InChI=1/C1779-51-1 1030040

LIDE, DR ET AL.S=C1NC(=O)C(C)=NN1 2-Thio-6-a NKOPQOSB 218.5 InChI=1/C4615-76-9 1061203ALDRICH (2000O=[N+]([O-])c1ccc(/C=C/C(= 2-PropenoicPFBQVGXI 139 InChI=1/C1953-26-4 1064731

OC(=O)\C=C(/OC)C(=O)C(=C) PENICILLICVOUGEZYP 83 InChI=1/C890-65-3 1064791O=C(/C=C/c1ccco1)/C=C/c2c1,4-PentadiXOOFLVNF 60.5 InChI=1/C1886-77-1 1064905

Lide, DR ET AL S=C1NC(=O)CN1 4-ImidazoliUGWULZWU 230 InChI=1/C3503-87-7 1069421Cc1cccc(c1)C(=O)N(NC(=O)c21-(3-METHOWEPMUXK 211 InChI=1/C1112411-46-8 1070837S=C1NC=CN1C METHIMAZPMRYVIKB 146 InChI=1/C460-56-0 1131173O=C(OCC)COc2cccc1ccccc12 ACETIC ACIHFLLBKYQ 56.5 InChI=1/C141643-81-6 1223958CS(=O)c1ccc(cc1)/C=C3/c2cc SULINDAC MLKXDPUZ 183 InChI=1/C238194-50-2 1265914Oc1ccc(cc1OC)CNC(=O)CCCC/6-NonenamiYKPUWZUD 65 InChI=1/C1404-86-4 1265957COc1ccc(/C=C\C)cc1 ANETHOLE RUVINXPY 21.35 InChI=1/C14180-23-8 1266027Oc1ccc(cc1OC)\C=C\CO CONIFERYLJMFRWRFF 74 InChI=1/C1458-35-5 1266063

Lide, DR ET AL Nc1ccc(/C=C/C(=O)O)cc1 2-PropenoiJOLPMPPN 121.5 InChI=1/C92393-18-2 1266391NC(=S)NCC=C ALLYLTHIOHTKFORQR 78 InChI=1/C4109-57-9 1266393O=C\C=C\c1ccco1 2-PROPENALVZIRCHXY 54 InChI=1/C7623-30-3 1266397COc2ccccc2\C=C(\c1ccccc1) 3-(o-MethoSJSYJHLLB 158 InChI=1/C125333-25-9 1266427Oc1ccc(cc1OC)/C=C3\CCC\C(CyclovalonDHKKONBX 178.5 InChI=1/C2579-23-7 1266900O=C2C(\CCC\C2=C\c1ccccc1)2,6-DibenzCTKKGXDA 117.5 InChI=1/C2897-78-9 1266977N#C\C=C\c1ccccc1 3-PHENYL-ZWKNLRXF 22 InChI=1/C91885-38-7 1267328OCCNC(=O)/C=C/c1ccccc1 Idrocilami OSCTXCOE 101 InChI=1/C16961-46-2 1267352

ChemFinder (2O=CC(/CCCCCC)=C/c1ccccc1 Hexyl cinn GUUHFMW 39.2 InChI=1/C1101-86-0 1267362

O=C(/C=C/c1ccccc1)OC\C=C\3-PHENYLPNQBWNECT 44 InChI=1/C1122-69-0 1267366ALDRICH (2000F\C(=C/c1ccccc1)C(=O)O Cinnamic acQONCEXMU 157.5 InChI=1/C9350-90-3 1267384

C(\C=C/c1ccccc1)=C\c2ccccc (1,4-DIPHEJFLKFZNII 152 InChI=1/C1886-65-7 1267739CC(C)(C)C(=O)/C=C/c1ccccc1 4,4-DimethYHFHIZDYJ 43 InChI=1/C1538-44-3 1302769O=CC(\CCCCC)=C/c1ccccc1 Heptanal, HMKKIXGY 80 InChI=1/C1122-40-7 1361549C\C=C\C=C\CCCCCCCO CODLEMONCSWBSLXB 32 InChI=1/C133956-49-9 1403270

Lide, DR ET AL S=C(NCCO)C(=S)NCCO EthanedithPOHRRIXA 93.35 InChI=1/C6120-86-5 1463825O=C(COC(=O)c1ccccc1)N2CC1H-AZEPINFZBXGZBX 107.5 InChI=1/C1115178-68-2 1760721CC(C)(C)NC(=O)COC(=O)c1cc ACETAMIDENZNPHIKN 112.5 InChI=1/C1106231-52-1 1875930CC(=O)NC(N)=S 1-ACETYL- IPCRBOOJ 165 InChI=1/C3591-08-2 2005797CCCCNC(=S)NCCCC N,N-DIBUTKFFQABQE 64 InChI=1/C9109-46-6 2005824

Lide, DR ET AL.O=C1CC(=O)NC(=S)N1 ThiobarbituRVBUGGBM 235 InChI=1/C4504-17-6 2005830CNC(=S)NC N,N-DIMETVLCDUOXH 62 InChI=1/C3534-13-4 2005833

CRC (2007) S=C1NCCN1 ETHYLENE PDQAZBWR 203 InChI=1/C396-45-7 2005851S=C1C=CC=CN1 2(1H)-PYR WHMDPDGB 129 InChI=1/C52637-34-5 2005897

Aldrich (2000) S=C1NCCS1 2-MercaptoWGJCBBAS 106 InChI=1/C396-53-7 2005898NC(=S)NC N-METHYLKQJQICVX 120 InChI=1/C2598-52-7 2005903S=C1NCCCN1 N,N'-TRIM NVHNGVXB 211 InChI=1/C42055-46-1 2005976NC(=S)NN THIOSEMICBRWIZMBX 183 InChI=1/CH79-19-6 2005980NC(N)=S THIOUREAUMGDCJDM 182 InChI=1/CH62-56-6 2005981

ALDRICH (2000CS(C)(C)I Sulfonium, SMZORVKK 217.5 InChI=1/C32181-42-2 2005985CC(N)=S THIOACET YUKQRDCY 115.5 InChI=1/C262-55-5 2006126

ALDRICH (2000N=C(N)NC(N)=S GuanylthioOKGXJRGL 172 InChI=1/C2 2/5/2114 2006692OB(O)c1ccccc1C Boronic aciNSJVYHOP 166.5 InChI=1/C716419-60-6 2015070Fc1cc(F)cc(O)c1F 2,3,5-Trifl JNZQXSIW 29 InChI=1/C62268-15-7 2015113CN(C)CCOc1ccc(cc1)/C(c2cccTamoxifenNKANXQFJJ 97 InChI=1/C210540-29-1 2015313Nc1cc(Br)ccc1C 3-Bromo-6-RXQNKKRG 33 InChI=1/C739478-78-9 2016549S=C(N)c1c(Cl)cccc1Cl CHLORTHI KGKGSIUW 151.5 InChI=1/C71918-13-4 2016563CCNC(=S)NCC N,N-DIETHFLVIGYVX 78 InChI=1/C5105-55-5 2016737

ALDRICH (2000OCCNC(\S)=N\CC=C Thiourea, VUVPNTYT 78 InChI=1/C6105-81-7 2016968CNC(=S)NCc1ccccc1 1-METHYL-GDUBTTXV 75 InChI=1/C92740-94-5 2017176Oc1cc(S)ccc1 3-HydroxytDOFIAZGYB 16.5 InChI=1/C640248-84-8 2018271CCc1cc(ccn1)C(N)=S Ethionami AEOCXXJPG 163 InChI=1/C8536-33-4 2041901CCCC[SiH3] Butyl silan YXMVRBZG -138 InChI=1/C41600-29-9 2049872O=CC(\Cl)=C(\Cl)C(=O)O MucochloriLUMLZKVI 127 InChI=1/C487-56-9 2052308FC(F)I Difluoroio YSLFMGDE -122 InChI=1/CH1493-03-4 2055525

4-NHAC-22QGIQGAFF 145 InChI=1/C114691-89-5 2056203FC(F)(C(F)(F)C(F)(F)F)C(F)(F)C(Perfluorot AXFFGMPN 189 InChI=1/C21766-41-2 2056687Cl/C(F)=C(/Cl)C(F)(F)F 1-PROPENEBJDGSGIF -137 InChI=1/C3431-53-8 2062482S=C(N)Nc1ccccc1C Thiourea, ACLZYRNSD 162 InChI=1/C8614-78-8 2067367Nc1ccc(cc1)S(=O)(=O)NC(N)=SULFATOL UEMLYRZW 179 InChI=1/C71161-88-2 2272143Nc1ccc(cc1)S(=O)(=O)NC(N)=Sulfathiou UEMLYRZW 182 InChI=1/C7515-49-1 2272143O=C(OC)C(=C\OC)/C4CC1N(CRhynchophyDAXYUDFN 216 InChI=1/C276-66-4 2272190[O-][N+](=O)\C=C(/NC)NCCSCZANTAC ( VMXUWOKS 69.5 InChI=1/C166357-35-5 2272523O=C(O)C(\CC\C=C(/C)C)=C Fusidic Aci IECPWNUM 192.5 InChI=1/C3 6/3/6990 2272544

CC(C)CCOc1ccc(cc1)NC(=S)NcTiocarlide BWBONKHP 146 InChI=1/C2910-86-1 2272774S=C1CCCCCN1 2-AZACYC APLHDUWN 108.5 InChI=1/C67203-96-5 2274139NC=S Thioforma CYEBJEDO 26.5 InChI=1/CH115-08-2 2275727OCC(=O)[C@@]3(O)CCC2C1CCORTISON MFYSYFVP 222 InChI=1/C253-06-5 2280529CC(=O)OCCOCn2cnc1c2N=C(O-AcetylacyDMHAXLGA 242 InChI=1/C1SRC002-62-0 2280639CCCCCCCCCCCCCC(=O)OCc1cTetradecanoTUMGCEIA 20.5 InChI=1/C231161-71-4 2283665O=C2OC(=O)c1c2ccc(Cl)c1Cl 4,5-Dichlo GAIPRQZX 121 InChI=1/C856962-07-3 2284619O=C(O)C1CC(=O)N(CCCCCC)C1-HEXYL-4 VHKDTUOU 42.5 InChI=1/C1116167-27-2 2296653O=C1NC(=S)NC(=O)C1(CC=C)THIAMYLAXLOMZPUI 132.5 InChI=1/C177-27-0 2297298

Lide, DR et al. O=C(O)C\N=C(/S)C(=S)NCC(=Glycine, N,LJIPVCWB 220.5 InChI=1/C695-99-8 2297300O=C1NC(=S)NC(=O)C1(CC(=C)BARBITURIXMQICEWO 160.5 InChI=1/C1115-56-0 2297301O=C2NC(=S)NC(=O)C2(CC=C)ThialbarbitPXLVRFQE 149 InChI=1/C1467-36-7 2297316Cl/C(F)=C(/Cl)F 1,2-DICHL UPVJEODA -130.5 InChI=1/C2598-88-9 2297331NC(=S)NCC N-ETHYLTHGMEHFXXZ 112 InChI=1/C3625-53-6 2297335NC(=S)OCC O-ETHYL T PWZUZQNZ 41 InChI=1/C3625-57-0 2297336O=C1NC(=S)NC(=O)C1(CC)C(CThiobutabaIDELNEDB 169 InChI=1/C12095-57-0 2297366Cl/C(C(Cl)CCl)=C(/Cl)C(Cl)CCl 1,2,3,4,5 NHHXXJKU 58.5 InChI=1/C61725-74-2 2297396

LIDE,DR ET AL.S=C1NC(=S)C(N1)(c2ccccc2)cHydantoin, IPDQDGCZ 263 InChI=1/C12032-13-5 2297402Cl\C(=C(/Cl)C(F)(F)F)C(F)(F)F 2-BUTENE, XDIDQEGA -67.3 InChI=1/C4303-04-8 2297407O=P(OC)(OC)OC(\C)=C(/Cl)C(PHOSPHAMRGCLLPNL -45 InChI=1/C1297-99-4 2297538Fc1ccc(cc1)C(=O)CCCN2CCC(Timiperon YDLQKLWVK 202 InChI=1/C257648-21-2 2297930ClC(Cl)(Cl)c2nc(nn2c1ccc(Cl) FENCHLORAGMBRUAIJ 110 InChI=1/C1103112-35-2 2298445O=C(NC(Cc1ccccc1)c2ccccc2)N-(1,2-Dip DWODOIKZ 159 InChI=1/C2553-06-0 2298538Clc2cc(NC(=S)Nc1ccc(F)cc1)ccLoflucarba ZHNUMLOC 163.5 InChI=1/C1790-69-2 2298550

LIDE,DR ET AL.S=C(Nc2cccc1ccccc12)Nc4cccUrea, 1,3-bVFCZSWPN 207.5 InChI=1/C21240-37-5 2298558F\C(=C(/F)C(F)(F)F)C(F)(F)F OCTAFLUOWSJULBMC -129 InChI=1/C4360-89-4 2298630

Tomlin CDS (2 Clc1ccc(CN(CC)C(=C\[N+]([O-Nitenpyra CFRPSFYHX 82 InChI=1/C1150824-47-8 2298774Clc1ccc(CN(CC)C(=C\[N+]([O-NITENPYR CFRPSFYHX 83.5 InChI=1/C1120738-89-8 2298774

SAX O=C3CC4CCC2C(CCC1(C)C2CCOxymetholICMWWNHD 187.5 InChI=1/C2434-07-1 2298779O=C(OCC)CN2c1c(cccc1Cl)SCBENAZOLINWQRCEBAZ 79.2 InChI=1/C125059-80-7 2298829CC(C)(C)NC(=S)Nc2c(cc(Oc1ccDiafenthiuWOWBFOBY 146 InChI=1/C280060-09-9 2298854

1-PIPERIDI DBNFXLUB 102.5 InChI=1/C196662-64-5 2298888Clc1cc(C)c(NC(=S)N(C)C)cc1 ChlorometIBZZDPVV 175 InChI=1/C128217-97-2 2298907S=C1NCC(C=C)O1 Goitrin UZQVYLOF 50 InChI=1/C5500-12-9 2299106

Dimethyl aZYMCGHKV -136.1 InChI=1/C2593-57-7 2299205BEYNON,KI ET ACOP(=O)(OC)O\C=C(/C)C(=O)trans-MeviYCFPRPBAT 5.9 InChI=1/C7338-45-4 2299473

COc1cc2c(cc1)nccc2[C@H]( QUINIDINELOUPRKON 174 InChI=1/C256-54-2 2300697Nc2nc(C)ncc2CN(C=O)C(\C)=Thiamine DGFEGEDUI 177 InChI=1/C267-16-3 2301699NC(=O)OC(CC)C1CCCCC1 ProcymateIGISNRIWP 128.5 InChI=1/C113931-64-1 2312494OC(C=1C=C/C(C=1)=C(/c2ccccPyrinoline NCZXKYCN 147 InChI=1/C21740-22-3 2314542O=C(OC)C1CC(=O)N(CCCCCC)1-HEXYL-4 GJHNTLQY 4 InChI=1/C171548-53-3 2316225O=C(N(CC)C1CCCCC1)N3N=NNFENTRAZA LLQPHQFN 79 InChI=1/C1158237-07-1 2338981Cn2nc(c1cc(C(=O)OC(C)C)c(Cl)ISOPROPAZFKLQIONHG 80 InChI=1/C1174514-07-9 2340732BrCC(Cl)(F)F 2-Bromo-1-KORUNPLQ -76 InChI=1/C2421-01-2 2340753ClCCCCCCCCCO 1-Nonanol,XZWFEAMF 28 InChI=1/C951308-99-7 2341963

O=C(O)[C@H](CC)[C@H]1CC[SalinomyciKQXDHUJY 113 InChI=1/C453003-10-4 2342058CC(C)(OC1CCCCC1)C(=O)O Propanoic aOKFRDMBI 75 InChI=1/C191007-35-1 2342976NC(=O)C(C)(C)n2nnc1ccccc121H-BENZOTNCDWDQYD 187 InChI=1/C1115054-77-8 2505663OCC(=O)C(O)C(OC1OC(CO)C(LACTULOSEPFCRQPBO 169 InChI=1/C14618-18-2 2527472Fc1ccc(cc1)C4(Cn2cncn2)OC4BAS 480F ZMYFCFLJ 136.2 InChI=1/C1106325-08-0 2564795CC(=O)C53OC(C)(OC5CC2C4CAlgestone AHBKIEXB 150.5 InChI=1/C224356-94-3 2575526Oc2cc3CCC1C4CCC(O)(C#C)C419-NORPREGMTMZZIPT 280 InChI=1/C234816-55-2 2621342

Lide, DR ET AL [O-][N+](=O)c3ccc(O)c2c3C(=9,10-AnthrGJCHQJDE 296 InChI=1/C181-55-0 2623724Tomlin CDS (2 Fc1ccc(cc1)Oc2ccnc3cc(Cl)cc(Quinoline, WRPIRSINY 106.7 InChI=1/C1124495-18-7 2635909Sax O=[N+]([O-])c1cc(N)ccc1O PHENOL, 4WHODQVW 126 InChI=1/C6119-34-6 2661194ALDRICH (2003CC1(C)CC(CC(C)(C)N1)N(CCCCPoly((6-((1 LZVMGBSA 138 InChI=1/C371878-19-8 2689046

Oc1ccc(cc1O)[N+]([O-])=O 1,2-DIHYD XJNPNXSI 175 InChI=1/C6 9/4/3316 2745027Merck Index (2O=[N+]=O NITROGEN OMBRFUXP -9.3 InChI=1/NO10102-44-0 2844644

O=C=N\c1ccc(cc1)c2ccccc2 p-XenylcarWIRPZDICF 56 InChI=1/C192-95-5 2847659Kirk-Othmer onNc1cc(ccc1O)[N+]([O-])=O 2-AMINO-4VLZVIIYR 144 InChI=1/C699-57-0 2848685

O=C(Nc1nc(cc(OC)n1)OC)NS(Ethoxysulf UWVKRNOC 145 InChI=1/C1126801-58-9 2858750O=C(O)C(C)(C)n2nnc1ccccc1 1H-BENZOTROAWLFIWE 181.5 InChI=1/C14233-61-8 2866829O=Cc2ccc(OC1OC(CO)C(O)C(OGlucovanillLPRNQMUK 189 InChI=1/C1494-08-6 2882053C=C(C)C2Oc3cc(O)c1C(=O)C4Sumatrol ZPEHYKMR 195 InChI=1/C282-10-0 2898626OC(=O)C2CCCN2C(=O)C(C)NCL-PROLINE,LZFZMUME 149.5 InChI=1/C176420-72-9 2923375c1cccc2c1nnn2C3CCCCC3 1H-BENZOTCQIAJKGKH 104.5 InChI=1/C166536-70-7 2999358NNc1ccc(cc1[N+]([O-])=O)[N+HYDRAZINE,HORQAOAY 194 InChI=1/C6119-26-6 3001507NC(=O)C(CC)n2nnc1ccccc12 1H-BENZOTNQCTZHKU 143 InChI=1/C1115054-75-6 3004571O=[N+]([O-])c1ccccc1C(=O)NBENZOYLHYLYGGDXLO 124 InChI=1/C7606-26-8 3009396O=Cc2ccccc2OC1OC(CO)C(O)Helicin BGOFCVIG 175 InChI=1/C1618-65-5 3016543

ALDRICH (2000OC(COC(=O)CCCCCCCCCCCCCSorbitan mHVUMOYID 57 InChI=1/C21338-41-6 3021342CCCCC(=O)OCC(=O)C4(O)CC(OValrubicin ZOCKGBMQ 135.5 InChI=1/C356124-62-0 3021992c1cccc2nn(nc12)C3CCCCC3 2H-BENZOTCPCJSLDHB 46.5 InChI=1/C166480-65-7 3028857

Merck Index O=C(OC)C2(CC4CC(O)(CC)CN(VinblastineJXLYSJRDG 213.5 InChI=1/C4865-21-4 3050201CC(=O)C4(OC(C)=O)CCC3C2CFlurogestoJKQQZJHN 267.5 InChI=1/C22529-45-5 3055327C=CC3CNCCC3CCC(=O)c2ccncViquidil DKRSEIPLA 60 InChI=1/C284-55-9 3057498Oc2ccc(Nc1ccc(cc1[N+]([O-])P-(2,4-DI BCPQALWA 194 InChI=1/C1119-15-3 3083088O=C1NC(=O)N(C=C1)C2CC(F)URIDINE, 2BKIUEHLYJ 186 InChI=1/C941107-56-6 3084094O=[N+]([O-])c1cc(c(O)cc1Cl)[3-Chloro-4YUIDCTJTN 92 InChI=1/C654715-57-0 3117105ClCCN(CCCl)c1ccc(cc1)CC(=OEstradiol LRSFXIJG 52.5 InChI=1/C422966-79-6 3156916

Merck Index (1OC3CC4CCC2C5(O)CCC(C1=CCSarmentogFLMSQRUG 280 InChI=1/C276-28-8 3165757Oc4cc5OCC1C(Oc2c3C=CC(C)(Phaseolin LWTDZKXX 177.5 InChI=1/C213401-40-6 3279224Nc1c(cccc1O)[N+]([O-])=O Phenol, 2- KUCWUAFN 216.5 InChI=1/C6603-85-0 3329016C/C(C)=N/N(c1ccccc1)P(=O) TEPA, -N(- DHYYRBMF 120.5 InChI=1/C1100853-81-4 3381088N=C(NN)N[N+]([O-])=O HydrazinecLWPLPMSG 185 InChI=1/CH18264-75-0 3409467Oc1ccc(cc1)C(CC)c2ccc(O)cc2Phenol, 4,4YKPAABNC 132 InChI=1/C11576-13-2 3411278[O-][N+](=O)c2ccc(Nc1ccc(N)N-(2,4-DI JMDHCJDAT 188 InChI=1/C16373-73-5 3474806NS(=O)(=O)c1ccc(SCCO)cc1 BENZENESULTXDVFFEV 111.5 InChI=1/C8108966-48-9 3476859OCC(O)C3(O)CCC2C1CCC4=CC4-PregneneXBIDABJJG 208.5 InChI=1/C2116-59-6 3487278

CRC HandbookO=[N+]([O-])c1cc(N)ccc1N 1,4-BENZE HVHNMNGA 140 InChI=1/C65307-14-2 3542441

Nc1cccc([N+]([O-])=O)c1N 3-NITRO-OIOCXBXZB 158 InChI=1/C63694-52-8 3562738OC(=O)c1c(Br)cccc1Br Benzoic aciHQLOEBRP 150.5 InChI=1/C7601-84-3 3601367ClC(Cl)(Cl)C(=O)OC(C)(C)C ACETIC ACIYROVKSCE 25.5 InChI=1/C61860-21-5 3606249[O-][N+](=O)c3cccc2C(=O)c1 C.I. DISPERSDICTISQC 257 InChI=1/C182-33-7 3621963C/C(C)=N/N(C)P(=O)(N1CC1) TEPA, -N(- BMBMMLFH 92.5 InChI=1/C8100853-80-3 3651353CC(C)(OC1OC(CO)C(O)C(O)C Linamarin QLTCHMYA 145 InChI=1/C1554-35-8 3656327

Merck Index O=C3C=C4C(=C)CC2C(CCC1(CExemestanBFYIZQONL 189.5 InChI=1/C2107868-30-4 3659700COC1C(O)C(C)OC(O)C1 2,6-DIDEO DBDJCJKV 101 InChI=1/C7579-04-4 3677079O=C(O)C45CCC3(C)C(=CCC2C3Gypsogeni QMHCWDVP 275 InChI=1/C3639-14-5 3681302O=C(O)C35CCC(C)(C)CC5C4=CQuillaic Ac MQUFAARY 294 InChI=1/C3631-01-6 3681498COc1cc3c(cc1OC)OCC4Oc2c5Tephrosin AQBZCCQC 198 InChI=1/C276-80-2 3682953

Tomlin (2003),Clc1ccc(cc1)C2SC(=O)N(C2C HexythiazoXGWIJUOS 108.25 InChI=1/C178587-05-0 3753586CC1=C(O)C(=O)C2OC2C1=O Terreic AciATFNSNUJ 127 InChI=1/C7121-40-4 3755306ClCC(=O)C4(O)C(C)CC3C2CCCCLOBETAS FCSHDIVR 196.25 InChI=1/C225122-41-2 3820970

Merck (avg) C=C3CC1(CC)C(CCC1(O)C#C) DesogestreRPLCPCMS 109.5 InChI=1/C254024-22-5 3848314CC(C)(CC)C(=O)OC2CC(C)C=CSIMVASTATRYMZZMVN 136.5 InChI=1/C279902-63-9 3866078NS(=O)(=O)c1ccc(SCCO)c(c1)[BENZENESUUXGFMDKH 151 InChI=1/C8108966-58-1 4028187Nc1cc(cc([N+]([O-])=O)c1O)[ 2-AMINO-4QXYMVUZO 169 InChI=1/C696-91-3 4103087

Merck Index (2Fc1ccc(cc1)C(O)CCC3C(=O)N(Ezetimibe OLNTVTPDX 165 InChI=1/C2163222-33-1 4160369CRC HandbookNc1ccc(cc1O)[N+]([O-])=O 2-Amino-5-DOPJTDJK 208.5 InChI=1/C6121-88-0 4165030

OC1C(OC(CO)C(Cl)C1O)OC2(CSucralose BAQAVOSO 130 InChI=1/C156038-13-2 4243140COc4cc5nc1c(CCN3CC2CC1C3TabernanthUCIDWKVIQ 214 InChI=1/C283-94-3 4265369

LIDE,DR ET AL.S=C2NC(=O)CN2c1ccccc1 Hydantoic aPQMRRAQX 160 InChI=1/C92215-20-5 4266692CRC HandbookNc1ccc(cc1N)[N+]([O-])=O 2-AMINO-4RAUWPNXI 199.5 InChI=1/C699-56-9 4286892

O=C3C=CC4C2Cc1ccc(OC)c(OThebainonSLJDAVMW 151.5 InChI=1/C1467-98-1 4323111NC(=O)COC(=O)c1ccccc1 ACETAMIDEHBEWADIW 121 InChI=1/C964649-43-0 4345375OCC(=O)C4(OC(=O)CCCC)CCCHYDROCORTFZCHYNWY 218.5 InChI=1/C257524-89-7 4395301CC3CC2C(CCC1(C)C2CCC1(O)DimethisteLVHOURKC 102 InChI=1/C279-64-1 4400915CNC(=S)NCO Noxythioli JLMHZVYL 89 InChI=1/C315599-39-0 4418329O=C(\C=C/C(=O)OCC)OCC DIETHYL MIEPRKVQE -8.8 InChI=1/C8141-05-9 4436353O=C(/C=C/C(=O)OCCCC)OCC DIBUTYL MJBSLOWBP -85 InChI=1/C1105-76-0 4436357O=C(OCc1ccccc1)/C=C/c2cccBENZYL CI NGHOLYJT 39 InChI=1/C1103-41-3 4437893NC(=O)/C=C/c1ccccc1 CINNAMAMAPEJMQOB 149 InChI=1/C9621-79-4 4437896COc1cc2C=CC(=O)Oc2c(O)c1Fraxetin HAVWRBAN 231 InChI=1/C1574-84-5 4437972

Lide Oc1ccc(cc1O)C=3Oc2cc(O)ccQUERCETI REFJWTPED 316.5 InChI=1/C1117-39-5 4444051COc1ccc(cc1)C3=COc2cc(O)c4H-1-BenzoHKQYGTCO 256.5 InChI=1/C1485-72-3 4444070COc1ccc(cc1)C3=CC(=O)c2c( Acacetin DANYIYRP 263 InChI=1/C1480-44-4 4444099

Merck Oc1ccc(cc1)C3=CC(=O)c2c(ccAPIGENIN KZNIFHPL 347.5 InChI=1/C1520-36-5 4444100COc1cc2C=CC(=O)Oc2cc1O ScopoletinRODXRVNM 204 InChI=1/C192-61-5 4444113

Lewis, RJ (2000CC=1CCCC(C)(C)C=1/C=CC(\ Retinol palVYGQUTWH 28.5 InChI=1/C379-81-2 4444162Oc1ccc(cc1OC)\C=C\C=O 4-HYDROXDKZBBWMU 84 InChI=1/C1458-36-6 4444167Oc1ccc2c(c1)OC(=O)C=C2C 7-HYDROXHSHNITRM 195.5 InChI=1/C190-33-5 4444190Oc1ccc2C=CC(=O)Oc2c1O Daphnetin ATEFPOUA 262 InChI=1/C9486-35-1 4444191O=C(CCCCCCC\C=C\CCCCCCCMETHYL OLQYDYPVFE -19.9 InChI=1/C1112-62-9 4444205CC(C\C=C\C)C(O)C1C(=O)NC(CCyclospori PMATZTZN 149.5 InChI=1/C659865-13-3 4444325

CRC (2007) Oc1ccc(cc1)C=3Oc2cc(O)cc( KaempferoIYRMWMYZ 277 InChI=1/C1520-18-3 4444395CC=1C=CCC(C)(C)C=1/C=CC(\3-DehydrorQHNVWXUU 77.5 InChI=1/C2472-87-7 4444397COc1ccc3c(c1)nc2c3ccnc2C 9H-PYRIDOBXNJHAXV 273 InChI=1/C1442-51-3 4444445Cl\C=C/CCl 1,3-DICHL UOORRWUZ -50 InChI=1/C310061-01-5 4444456

Merck Index Oc3c1C(=O)OCc1c(C)c(OC)c MycophenolRTGDFNSFW 93.5 InChI=1/C2128794-94-5 4444535CCCC(O)\C=C\C=C\C=C\C#C Cicutoxin FQVNSJQT 54 InChI=1/C1505-75-9 4444576Cc2nccc1c3ccccc3nc12 Harmane PSFDQSOC 236.5 InChI=1/C1486-84-0 4444755Oc1cc2C=CC(=O)Oc2cc1O Esculetin ILEDWLMC 276 InChI=1/C9305-01-1 4444764Oc1ccc2C=CC(=O)Oc2c1 UmbelliferORHBXUUX 230.5 InChI=1/C993-35-6 4444774COC=2C=C(/C=C/c1ccc(OC)ccYangonin XLHIYUYC 156 InChI=1/C1500-62-9 4444896Oc2cc(O)cc1OC(=CC(=O)c12)5,7-HYDRORTIXKCRFF 285.5 InChI=1/C1480-40-0 4444926COc1ccc(cc1O)C3=CC(=O)c2cDIOSMETINMBNGWHIJ 253.5 InChI=1/C1520-34-3 4444931Oc1ccc(cc1O)C=3Oc2cc(O)ccFisetin XHEFDIBZL 330 InChI=1/C1528-48-3 4444933Oc2cc(O)cc1OC(=C(O)C(=O)c1Galangin VCCRNZQBS 214.5 InChI=1/C1548-83-4 4444935Oc3cc(OC)cc2Oc1ccc(O)cc1CGentisin XOXYHGOI 266.5 InChI=1/C1437-50-3 4444955Oc3ccc(C=2Oc1cc(O)cc(O)c1 MORIN YXOLAZRV 303.5 InChI=1/C1480-16-0 4444989

Merck (2006) Oc1cc(cc(O)c1O)C=3Oc2cc(OMyricetin IKMDFBPH 357 InChI=1/C1529-44-2 4444991Oc1ccc(cc1O)C=3Oc2cc(cc(ORhammnetJGUZGNYP 295 InChI=1/C190-19-7 4445008

Merck Index COc1cc(OC)c(cc1OC)/C=C\C trans-Asar RKFAZBXY 62.5 InChI=1/C12883-98-9 4445072Oc1ccc(cc1)C3=COc2cc(cc(O Prunetin KQMVAGIS 239.5 InChI=1/C1552-59-0 4445116CC(=O)c4c(O)c(Cc2c(O)c(c1ORottlerin DEZFNHCV 212 InChI=1/C382-08-6 4445144

CRC (2009) Cl\C(=C/C3C(C(=O)OCc2cccc(cBifenthrin OMFRMAHO 69 InChI=1/C282657-04-3 4445165Cl\C(=C/C3C(C(=O)OC(C#N)c2cLAMBDA-CZXQYGBMA 49.2 InChI=1/C291465-08-6 4445166

Tomlin (2003) Cl\C(=C/C2C(C(=O)OCc1c(F)c(FTEFLUTHRIZFHGXWPM 44.6 InChI=1/C179538-32-2 4445167CRC CC3(C)CN\C(=N\N=C(/C=C/c1ccHYDRAMETIQVNEKKD 190 InChI=1/C267485-29-4 4445168

Oc1ccc2c(c1)OC(=CC2=O)c3c4H-1-BENZMQGPSCMM 246 InChI=1/C16665-86-7 4445181COc1cc(ccc1OC)/C=C/C(=O)NTranilast NZHGWWWH 212 InChI=1/C153902-12-8 4445411CN(C)CC\C=C1/c3ccccc3SCc2DOLSULEPIPHTUQLWO 56 InChI=1/C1113-53-1 4445580Cc1ccc(cc1)C(=C\CN2CCCC2)TRIPOLIDI CBEQULM 60 InChI=1/C1486-12-4 4445597CCC\C=C\C(=O)O 2-HexenoicNIONDZDP 36.5 InChI=1/C61191-04-4 4445834CC\C=C\CC(=O)O 3-HexenoicXXHDAWYD 12 InChI=1/C64219-24-3 4445835CCCC\C=C\C(=O)O Hept-2-enoYURNCBVQZ -19 InChI=1/C718999-28-5 4445836O=C(O)\C=C\CCCCCCC Dec-2-enoiWXBXVVIU 12 InChI=1/C13913-85-7 4445851O=C(O)C\C=C\CCCCCC Dec-3-enoiCPVUNKGU 18 InChI=1/C115469-77-9 4445852O=C(O)\C=C\CCCCCCCCC Dodec-2-enPAWGRNGP 17.1 InChI=1/C14412-16-2 4445856O=C(O)CCCCCCC\C=C\CCCCCPALMITOLESECPZKHB -0.1 InChI=1/C1373-49-9 4445872O=C(O)CCCCCCC\C=C\CCCCC9-HexadeceSECPZKHB 0.5 InChI=1/C12091-29-4 4445872O=C(O)CCCC/C=C/CCCCCCCCPetroseliniCNVZJPUD 29.8 InChI=1/C1593-39-5 4445881O=C(O)CCCCCC\C=C\CCCCCCVACCENIC WRIDQFIC 44 InChI=1/C1693-72-1 4445885

Merck O=C(O)CCCCCCCCCCC\C=C\C13-DocosenoDPUOLQHD 33.8 InChI=1/C2112-86-7 4445899O=C(O)\C=C\C=C\CCCCC Deca-2,4-diYKHVVNDS 49.5 InChI=1/C130361-33-2 4445909O=C(O)CCCCCCC\C=C\C=C\C LINOLEIC AJBYXPOFIG -8.5 InChI=1/C160-33-3 4445923O=C(O)CCCCCCC\C=C\C=C\C Octadeca-9,CUXYLFPM 71.5 InChI=1/C1544-73-0 4445947O=C(O)CCCCCCC\C=C\C\C=C\9,12,15-OCDTOSIQBP -16.5 InChI=1/C1463-40-1 4445949

Merck Index (2CCCCCCC(O)C\C=C\CCCCCCC12-HYDROXWBHHMMI 5.5 InChI=1/C1141-22-0 4446070

O=C(O)CCCCCCCC/C=C/C(=OTraumatic MAZWDMBC 165.5 InChI=1/C16402-36-4 4446155CC\C=C\C=C\C=O 2,4-HeptadiSATICYYA 84.5 InChI=1/C7 3/5/4313 4446442C\C=C\C=C\C=C\C=O 2,4,6-OCT ZUZGMJKU 56.8 InChI=1/C817609-31-3 4446452C\C=C\Cl 1-PROPENE,OWXJKYNZ -134.8 InChI=1/C316136-84-8 4447442C\C=C\Cl 1-PROPENE,OWXJKYNZ -99 InChI=1/C316136-85-9 4447442Nc2ccccc2C(=O)OC/C=C/c1ccCinnamyl AGABQNAFE 61 InChI=1/C187-29-6 4447445O=C(CCCCCCC/C=C\C/C=C\C METHYL LI WTTJVINH -35 InChI=1/C1112-63-0 4447491Clc1cc(C(=C\Cl)\OP(=O)(OC)OTetrachlor UBCKGWBN 96 InChI=1/C122350-76-1 4447527Clc1cc(C(=C\Cl)\OP(=O)(OC)OSTIROFOS UBCKGWBN 97.5 InChI=1/C1961-11-5 4447527Cc1c(C)c(/C=CC(\C)=C\C=C\C2,4,6,8-NOIHUNBGSD 229 InChI=1/C255079-83-9 4447573

Ullmann C=C1CC[C@@]6(O)[C@H]3CcNALMEFENWJBLNOPP 107.5 InChI=1/C255096-26-9 4447642C\C=C/C CIS-2-BUT IAQRGUVF -138.9 InChI=1/C4590-18-1 4449912[O-][n+]1cc(ncc1C)C(O)=O Acipimox DJQOOSBJC 178.5 InChI=1/C651037-30-0 4470534O=C(O)CCC\C=C\C\C=C\C\C=5,8,11,14 YZXBAPSD -49.5 InChI=1/C2506-32-1 4471967O=C(O)CCC\C=C\C\C=C\C\C=Eicosa-5,8,YZXBAPSD -49.5 InChI=1/C27771-44-0 4471967Br\C=C\c1ccccc1 BETA-BRO YMOONIIM 7 InChI=1/C8103-64-0 4473543CC(C)C(CC)/C=C/C(C)C2CCC ChondrillasJZVFJDZB 168.5 InChI=1/C2481-17-4 4474578C=C3CCC(O)C\C3=C\C=C1/CCCVitamin D2MECHNRXZ 116.5 InChI=1/C250-14-6 4474626O=C1CCCCCCCC=CCCCCCCC19-CyclohepZKVZSBSZ 32.5 InChI=1/C1542-46-1 4475121CN3C1CCC3C(C(=O)OC)[C@H]COCAINE ZPUCINDJV 98 InChI=1/C150-36-2 4475153Oc1cc(\C=C/C(=O)O)ccc1 CINNAMIC KKSDGJDH 211.5 InChI=1/C97400-08-0 4475249

Aldrich (1998) Oc1cc2c(cc1O)OC(=O)C=C2C6,7-Dihydr KVOJTUXG 275 InChI=1/C1529-84-0 4477791CC(C)C(C)/C=C/C(C)C1CCC2 LumisterolDNVPQKQS 118 InChI=1/C2474-69-1 4477828

CRC HandbookCC(C)C(C)/C=C/C(C)C1CCC2 ERGOSTERDNVPQKQS 170 InChI=1/C257-87-4 4477828COc1ccc(cc1)C2=CC(=O)c3c(OPectolinariGPQLHGCI 221 InChI=1/C1520-12-7 4478521Oc1ccc(cc1O)/C=C3/Oc2cc(OSulfuretin RGNXWPVN 303 InChI=1/C1120-05-8 4479262C\C=C\C=C\C(=O)OC 2,4-HEXADKWKVAGQC 15 InChI=1/C71515-80-6 4481192C\C=C\C=C\C(=O)OC 2,4-HexadieKWKVAGQC 15 InChI=1/C7689-89-4 4481192[O-][N+](=O)c2oc(/C=N/N1C FURAZOLI PLHJDBGF 255 InChI=1/C867-45-8 4481255C/C(CC)=N\O 2-BUTANOWHIVNJAT -29.5 InChI=1/C496-29-7 4481809CCC\C=N\O Butanal, o KGGVGTQE -29.5 InChI=1/C4110-69-0 4481812C\C=N\O ACETALDE FZENGILV 45 InChI=1/C 107-29-9 4481813CC\C=N\O PropionaldIFDZZSXEP 40 InChI=1/C3627-39-4 4481995O\N=C\c1ccccc1 BENZALDOVTWKXBJH 35 InChI=1/C7622-31-1 4482130O\N=C\c1ccccc1 BENZALDEHYVTWKXBJH 36.5 InChI=1/C7622-32-2 4482130

DAUBERT,TE &N#CC\C=C\CC#N 3-HexenedinBSVZXPLU 76 InChI=1/C61119-85-3 4482226N#C\C=C\c1ccco1 2-FuranacryZHKAQNFB 38 InChI=1/C7 1/1/7187 4482635C\C=C\C(C)(C)C 2-PENTENE,BIDIHFPLD -135.4 InChI=1/C7762-63-0 4483636C\C=C\C(C)(C)C 4,4-DIMETBIDIHFPLD -115.2 InChI=1/C7690-08-4 4483636C\C=C\CC CIS-2-PEN QMMOXUP -151.4 InChI=1/C5627-20-3 4483639C\C=C\CC TRANS-2-PQMMOXUP -140.2 InChI=1/C5646-04-8 4483639O=[N+]([O-])c2ccc(/C=N/NC( Nifuroxazi YCWSUKQG 298 InChI=1/C1965-52-6 4495115OC7C(OC)C(O)C(C)OC7OC6C(OChartreusi PONPPNYZ 185 InChI=1/C36377-18-0 4508202CC(C)C(C)/C=C\C(C)C2CCC3 PyrocalcifeDNVPQKQS 94 InChI=1/C2128-27-8 4508237OC6C(O)C(O)C(C)OC6Oc3cc4ORobinin PEFASEPM 250 InChI=1/C3301-19-9 4508978

COc1ccc(/C=C/NC=O)cc1 TUBERIN SZCZSKMC 132.5 InChI=1/C153643-53-1 4508984NC(=O)C1OC1C(=O)CC\C=C\CCerulenin GVEZIHKRY 93.5 InChI=1/C117397-89-6 4508994CC\C=C\C(C)C 3-HEXENE, IQANHWBW -141.6 InChI=1/C7692-24-0 4509420OC1CC(O)C(/C=C/C(O)CCCCCPROSTAGLPXGPLTOD 30 InChI=1/C2551-11-1 4510139OC1CC(=O)C(C\C=C\CCCC(=OPROSTAGLAXEYBRNLF 67 InChI=1/C2363-24-6 4510140CC1(OC1C\C=C(\C)C)C3C(OC Fumagillin NGGMYCML 194.5 InChI=1/C223110-15-8 4510162CC(C)CC(=O)OC1C(C)OC(CC1(Josamycin XJSFLOJW 131.5 InChI=1/C416846-24-5 4510187Cc2ccsc2/C=C/C1=NCCCN1C Morantel NVEPPWDV 240 InChI=1/C120574-50-9 4510219Oc1ccc(cc1O)C=3Oc4cc(O)ccQUERCITRIOXGUCUVF 170 InChI=1/C2522-12-3 4510257NC(CO)C(O)\C=C\CCCCCCCC SphingosinWWUZIQQU 67 InChI=1/C1123-78-4 4510275OC(\C(=N\O)c1ccccc1)c2ccccBenzoin O WAKHLWOJ 151 InChI=1/C1441-38-3 4510333C/C(=C\C)c1ccccc1 BENZENE, (UGUYQBMB -23.5 InChI=1/C1768-00-3 4510361

LIDE,DR ET AL.O=[N+]([O-])c1ccc(/C=C/C=O4-Nitrocin ALGQVMMY 141.5 InChI=1/C91734-79-8 4510371CCCCCC\C=N\O Heptanal, BNYNJIKG 57.5 InChI=1/C7629-31-2 4510399

LIDE,DR ET AL.Oc1ccc(cc1OC)/C=C/C(C)=O Methyl-3-mAFWKBSMF 129 InChI=1/C11080-12-2 4510464ClC(=O)/C=C/c1ccccc1 2-PropenoylWOGITNXC 36 InChI=1/C9102-92-1 4510481

Aldrich (2000) CCOc1ccc(cc1O)\C=C\C Phenol, 2-eRADIRXJQ 87 InChI=1/C194-86-0 4510500CC/C(=C\C)C(=O)NC(N)=O Ectylurea QCUPYFTW 198 InChI=1/C795-04-5 4510673CCC(=O)/C=C/c1ccccc1 1-PENTEN-LVGUHATV 38.5 InChI=1/C13152-68-9 4510677CC(C)CC(=O)/C=C/c1ccccc1 1-Hexen-3-LLVCDRTZ 43 InChI=1/C12892-18-4 4510678

LIDE,DR (2001)O=COC\C=C\c1ccccc1 2-Propen-1-LBHJXKYRY 0 InChI=1/C1104-65-4 4510982CC(C)(O)C(O)(C(C)OC)C(=O LASIOCARPQHOZSLCI 95 InChI=1/C2303-34-4 4511280O=C(Oc1ccccc1)/C=C/C(=O)O2-ButenedioWTIFDVLC 73 InChI=1/C17242-17-3 4511536O=P(OC)(OC)OC(/C)=C/C(=O)MEVINPHOGEPDYQSQV 13.95 InChI=1/C77786-34-7 4511751O=P(OC)(OC)OC(/C)=C/C(=O)MEVINPHOSGEPDYQSQV 21 InChI=1/C7298-01-1 4511751C(=C\c1ccccc1)\c2ccccc2 1,1'-(1,2- PJANXHGT -5 InChI=1/C1645-49-8 4512351OC(=O)/C=C/C=C/C(=O)O 2,4-HEXADITXXHDPDF 301 InChI=1/C63588-17-8 4512358CC(C)OC(=O)/C=C/C(=O)OC(CBut-2-enediFNMTVMWF 2.1 InChI=1/C17283-70-7 4512524CN(C)CCOC(=O)/C=C1\CCC3C(Cassaine GMHWATCM 142.5 InChI=1/C2468-76-8 4512579C\C=C(\C)CCC 2-HEXENE, JZMUUSXQ -118.5 InChI=1/C710574-36-4 4512637C\C=C\C(C)CC 2-HEXENE, MBNDKEPQ -125.7 InChI=1/C73683-22-5 4512638CC(C)C\C=C\C 2-HEXENE, GHBKCPRD -124.3 InChI=1/C77385-82-2 4512641CCC\C=C\CCC 4-OCTENE, IRUCBBFN -118.7 InChI=1/C87642-15-1 4512642CCC\C=C\CCC 4-OCTENE IRUCBBFN -90 InChI=1/C8592-99-4 4512642CCC\C=C\C(C)C 2-Methyl-hCYEZJYAM -107.5 InChI=1/C817618-76-7 4512644CCC\C=C\CC 3-HEPTENE WZHKDGJS -136.6 InChI=1/C7 10/6/7642 4512648CCC\C=C\CC 3-HEPTENEWZHKDGJS -136.6 InChI=1/C714686-14-7 4512648CC\C=C\C(C)(C)C 3-HEXENE, JPLZSSHKQ -137.4 InChI=1/C8690-92-6 4512650CC(C)C\C=N\O 3-Methyl-bJAUPRNSQR 48.5 InChI=1/C5626-90-4 4512713BrC\C=C\c1ccccc1 (3-Bromo-pRUROFEVD 34 InChI=1/C94392-24-9 4512814CCCCCC\C=C\CCC 4-UNDECENEJABYJIQO -97 InChI=1/C1821-98-7 4513469CCCCCC\C=C\CCC 4-UNDECENEJABYJIQO -63.7 InChI=1/C1693-62-9 4513469OC(=O)/C=C/C(=O)OCC But-2-enedXLYMOEIN 70 InChI=1/C6 5/4/2459 4513971C\C(=N\OC(=O)NC)SC METHOMYUHXUZOCR 78 InChI=1/C516752-77-5 4514527O=C(O\N=C(/C)C(C)SC)NC Butocarbo SFNPDDSJ 25 InChI=1/C734681-10-2 4514630

O=C(OC)N/C(NC(=O)OC)=N\c2Febantel HMCCXLBX 129.5 InChI=1/C258306-30-2 4514715[O-][N+](=O)c3ccc(N)c2c3C(=DIS. A. 18 SODXWGSQ 307 InChI=1/C166121-41-3 4514753S SULFUR NINIDFKCE 112 InChI=1/S 7704-34-9 4515054O=C(CCCCCCC\C=C\C\C=C\C Octadeca-9WTTJVINH -35 InChI=1/C12462-85-3 4515259C=C3CCC(O)C\C3=C\C=C1/CCCVitamin D3QYSXJUFSX 84.5 InChI=1/C267-97-0 4515720N#C/C(=N\OC)C(=O)NC(=O)NCymoxanil XERJKGMB 160.5 InChI=1/C757966-95-7 4516330NC(=O)/C=C/C(=O)O Maleamic aFSQQTNAZ 172.5 InChI=1/C4557-24-4 4516364C=C\C=C\C#N 2,4-PentadiSTSRVFAXS -60 InChI=1/C51615-70-9 4516500C1C=CCCC=CCCC=CC1 1,5,9-CYCLZOLLIQAK -1.5 InChI=1/C14736-48-5 4516522C\C=C\CC\C=C\C 2,6-OCTADLAGGTOB -76 InChI=1/C84974-27-0 4516549

Aldrich (1998) O=C(CCCCCCC\C=C\CCCCCCCEthyl oleatLVGKNOAM -32 InChI=1/C2111-62-6 4516584O=C(CCCCCCC\C=C\CCCCCCCOctadec-9-eLVGKNOAM 5.8 InChI=1/C26114-18-7 4516584CCCC\C=C\CCCCC 5-UNDECENENGCRXXLK -106.5 InChI=1/C1764-96-5 4516600CCCC\C=C\CCCCC 5-UNDECENENGCRXXLK -61.1 InChI=1/C1764-97-6 4516600CCCCC\C=C\C 2-OCTENE (ILPBINAX -100.2 InChI=1/C8 4/8/7642 4516601CCCCC\C=C\C 2-OCTENE ILPBINAX -87.7 InChI=1/C813389-42-9 4516601CCCCC\C=C\C 2-OCTENE ILPBINAX -80 InChI=1/C8111-67-1 4516601CCCCCCCC\C=C\C 2-UNDECENEJOHIXGUT -66.5 InChI=1/C1821-96-5 4516605CCCCCCCC\C=C\C 2-UNDECENEJOHIXGUT -48.3 InChI=1/C1693-61-8 4516605CC(C)C(CC)/C=C/C(C)C1CCC (3-beta)-StHCXVJBMS 170 InChI=1/C283-48-7 4516718O=C(CCCCCCC\C=C\CCCCCCC9-OctadecenPHYFQTYBJ -32 InChI=1/C5122-32-7 4516818

ALDRICH (2000C\C=C(/C)Cl 2-Butene, 2DSDHFHLZ -19 InChI=1/C44461-41-0 4516900OCC(O)COC(=O)CCCCCCC\C=9-OctadecenRZRNAYUH 35 InChI=1/C2111-03-5 4516959O=C(O\N=C(\CSC)C(C)(C)C)N THIOFANOFZSVSABT 57 InChI=1/C939196-18-4 4517040CC/C(=C\C)C(C)C(=O)CC 5-HEPTEN-RKUKVMWD 74.5 InChI=1/C174764-56-0 4517125ClC2C(=N\OC(=O)NC)\C1CC2Tranid QCQPGRMM 143.5 InChI=1/C115271-41-7 4517276NC(=O)CCCCCCCCCCC/C=C\C13-DECOSEUAUDZVJP 77.5 InChI=1/C2112-84-5 4517399C=CC\C=C\C TRANS-1,4PRBHEGAFL -138.7 InChI=1/C67319-00-8 4517520C\C=C\C(=O)OC2CC4OC1C=C(TRICHOTHELJWZOKOF 118 InChI=1/C16379-69-7 4517766C\C=C\C(C)C(C)\C=C\C 2,6-OCTADIJASAKDWEY -64.8 InChI=1/C118476-57-8 4517791CC\C=C(/C)C(=O)O 2-PentenoicJJYWRQLL 24.4 InChI=1/C616957-70-3 4517851

CRC C[Si](C)(C)/C=C/[Si](C)(C)C Silane, 1,2 AMGXUPKD -18.5 InChI=1/C818178-59-1 4518243C=C\C=C\C#C 1,3-HEXADOGWJYLKDZ -81 InChI=1/C610420-90-3 4518794C1=CC=CC=CCC1 1,3,5-CYC ICPMUWPX -83 InChI=1/C81871-52-9 4518804C1C=CCC=CCC1 1,5-CYCLOODNZZPKYS -70 InChI=1/C81552-12-1 4518877C1C=CCC=CCC1 1,4-CYCLO DNZZPKYS -53 InChI=1/C81073-07-0 4518877C=C\C=C\C=C CIS-1,3,5- AFVDZBIIB -12 InChI=1/C62612-46-6 4518927C=C\C=C\C=C TRANS-1,3AFVDZBIIB -12 InChI=1/C6821-07-8 4518927

ALDRICH (2000[O-][N+](=O)c1ccc(N\N=C\C)cAcetaldehyONBOQRN 166.5 InChI=1/C81019-57-4 4518991C\C=C\C=C(/C)C 2,4-HEXADPRTJSZPC -74.2 InChI=1/C728823-41-8 4519103O=[N+]([O-])c2ccccc2/C=C/c BENZENE, 1RYJATPLJV 73 InChI=1/C14264-29-3 4519935C\C(C)=C\C=C\C(\C)=C\C 2,6-DimethyGQVMHMFB -20.6 InChI=1/C17216-56-0 4520017O=C2C=C(CC(/C=C/c1ccccc1)Kawain XEAQIWGX 105.5 InChI=1/C1500-64-1 4520267

LIDE, DR ET AL.O=[N+]([O-])c2cc(/C=C/C(=O)Chalcone, 3SMFBODM 145.5 InChI=1/C1614-48-2 4520653COc1c(c(ccc1Cl)OC)C(=N\OCCBENZOXIMBZMIHNKNQ 73 InChI=1/C129104-30-1 4520747

CHEM INSPECT O=C(/C=C/C(=O)OCC(CC)CCC2-EthylhexROPXFXOU -10 InChI=1/C2141-02-6 4521171O=C(O)/C=C/C=C/c1ccc2OCOPiperic Aci RHBGITBP 215 InChI=1/C15285-18-7 4521337CC(/C=C/c1ccccc1)c2ccccc2 BENZENE, 1GNQWHYWL 47.5 InChI=1/C17614-93-9 4521343OC(C(C)N(C)C/C=C/c1ccccc1)CinnamedrYMJMZFPZ 75 InChI=1/C190-86-8 4521391CC\C=C\c1ccccc1 1-BUTENYLMPMBRWOO -43.1 InChI=1/C11005-64-7 4521401O=C(O)C\C=C\c1ccccc1 3-BUTENOICPSCXFXNEY 87 InChI=1/C12243-53-0 4521404C\C(C)=C\C=CC(/C)=C\C 2,4,6-OctatGQVMHMFB -35.4 InChI=1/C13016-19-1 4521739O=P(OC)(OC)OC(\C)=C/C(=O)AZODRIN KRTSDMXI 55 InChI=1/C76923-22-4 4522049NC(=O)CC(/C)=C/c1ccccc1 b-BenzalbuKAJZGRFY 133 InChI=1/C17236-47-7 4522265COc1ccc(/C=C/C(=O)OCCOCC2-PropenoiCMDKPGRT -25 InChI=1/C1104-28-9 4523729Oc1c(cccc1OC)\C=C\C PHENOL, 2GRZNDCXM 81 InChI=1/C11076-55-7 4523859O=[N+]([O-])c1ccc(/C=N/O)c P-NITROB WTLPAVBA 128 InChI=1/C71129-37-9 4523938O=C(OCc2cc(Cc1ccccc1)oc2) KADETHRI UGWALRUN 31 InChI=1/C258769-20-3 4524100Cl\C(=C/c1ccccc1)c2ccccc2 BENZENE, 1VVFIZEWC 53.5 InChI=1/C1948-98-1 4524371C\C=C\C1=CC=2OC(C)C(O)C( RADICININSDKXGAIC 221.5 InChI=1/C110088-95-6 4524383C(=C/c1ccccn1)\c2ccccn2 1,2-(DI-(A HKEOCEQL 118.5 InChI=1/C11437-15-6 4524483N\N=C2/c1ccccc1C(=O)C2C(=O2-DIPHACEQBGMRRUH 242 InChI=1/C25102-79-4 4524653OC1(/C=CC(\C)=C\C(=O)O)C( 2,4-PentadiJLIDBLDQ 160 InChI=1/C121293-29-8 4524740Clc3ccc(C\C(=C\CN1CCCC1)c2Pyrrobuta WDYYVNNR 48.5 InChI=1/C291-82-7 4525194Cc2ccccc2/C=C/c1ccccc1C BENZENE, 1ARZIVALJT 83 InChI=1/C110311-74-7 4525271

CRC (2007) O=C(OC)C(=C\OC)/C2CC3c4nMitragyninLELBFTMXC 104 InChI=1/C24098-40-2 4525455ALDRICH (2000O=[N+]([O-])c2ccc(/C=C/C(=O2-Propen-1WDZGGAFM 159 InChI=1/C11222-98-6 4526395

Clc1cc(Cl)ccc1C(/OP(=O)(OC CHLORFENFSAVDKDH -20 InChI=1/C1470-90-6 4526766O=C3c4ccccc4S/C3=C2/Sc1c Benzo b thJOUDBUYB 359 InChI=1/C1522-75-8 4527286O=C2C=C(C)/C(=C\C=C(/C)\C=RhodoxantVWXMLZQU 219 InChI=1/C4116-30-3 4528470Oc1ccc(cc1O)C=3Oc4cc(OC2OQuercimeriBBFYUPYF 248 InChI=1/C2491-50-9 4529331O=C(OCC)/C=C2/SC(N1CCCCCEtozolin ZCKKHYXU 140 InChI=1/C173-09-6 4531520CC(=O)/C=C\c1ccc2OCOc2c1PIPERONYLXIYPXOFS 111 InChI=1/C13160-37-0 4532611Oc2cc3OC(=O)C=C(CN1CCOCFolescutol FZRNEERX 232 InChI=1/C115687-22-6 4536088O=C(O)CCCCCCC\C=C\CCCCC9-EicosenoiLQJBNNIY 23 InChI=1/C2506-31-0 4574378Br\C=C\Cl ETHENE, 1 LYFQYPSH -86.7 InChI=1/C2 9/5/3018 4575447O=C(CCCCCCC\C=C\CCCCCCCBUTYL OLEWIBFFTLQ -26.5 InChI=1/C2142-77-8 4575598C=C(C)/C=C\C 2-METHYL-RCJMVGJK 75.5 InChI=1/C6926-54-5 4575651O=[N+]([O-])c1ccc(/C=C/C=O2-PROPENALDXWCZMGI 118.5 InChI=1/C71874-22-2 4575718C=C(C)/C=C/C(=C)C 2,5-DIMETZVFFWOKVV -9 InChI=1/C84916-63-6 4575931I\C=C/I 1,2-DIIODOCVOGMKGE -14 InChI=1/C2590-26-1 4576037Oc1ccccc1\C=C\C 2-PropenylWHGXZPQW -6 InChI=1/C96380-21-8 4576085Oc1cc(cc(OC)c1OC)C2=COc3cIrigenin TUGWPJJT 185 InChI=1/C1548-76-5 4576563O=C(O)C(C)c1ccc(cc1)C2C\C Ximoprofe IQPPOXSMS 178 InChI=1/C156187-89-4 4576581O\N=C(/C)c1ccccc1 Ethanone, JHNRZXQV 60 InChI=1/C8613-91-2 4576915O=C(OC)/C(=N\OC)c2ccccc2CBAS 490F ZOTBXTZV 99 InChI=1/C1143390-89-0 4588320

Tomlin CDS. (2N#C\C(=N\OCC#N)c1ccccc1 BenzeneacePYKLUAIDK 55 InChI=1/C163278-33-1 4588400Clc2cc(ccc2Oc1cc(C(\COC)=N\AKH-7088 GAIFAPDHL 58 InChI=1/C1104459-82-7 4590690

CRC (2007) Oc3cc4CCC1[C@H](CCC2(C)CESTRONE DNXHEGUU 260.2 InChI=1/C153-16-7 4642435CC(=O)\C=C\C=C\c1ccccc1 6-Phenyl-hPRNUCJKO 68 InChI=1/C14173-44-8 4647469

O\N=C(\C#N)c1ccccc1 BenzeneacetMJCQFBKI 129 InChI=1/C8825-52-5 4648061C\C(=N\NC(=O)c1ccncc1)c2c FuronazideGNDPAVKY 202.3 InChI=1/C13460-67-1 4655810

Patty's Tox On-CCCCCCCCCCCCCOCC1CO1 Oxirane, mZCZCZLVS 1.7 InChI=1/C168609-97-2 4675429O=C(OC)C1CC(=O)N(CCCCCC 1-LAURYL- HTLJJHYQ 27.5 InChI=1/C1101881-19-0 4676486CC(C)S(=O)(=O)n1c2cc(ccc2n1H-BENZIMIWKXBHQE 198.5 InChI=1/C172301-79-2 4678111

CRC Clc1cc(C(=C\Cl)/OP(=O)(OC)OTETRACHL UBCKGWBN 97 InChI=1/C122248-79-9 4719431O=C(\C=C(/c1ccc(Cl)cc1)c2c DIMETHO QNBTYORW 148 InChI=1/C2110488-70-5 4735560CC2(C)C1C/C(=N\O)C2(C)CC11,7,7-Trim OVFDEGGJ 118 InChI=1/C136065-15-3 4743055CCCCCCCC\C=C\CCCCCCCCC Docos-13-eCFOQKXQW 35 InChI=1/C2629-98-1 4744195O=C(OCC)/C=C2\SC(N1CCCCCPiprozolin UAXYBJSA 86.5 InChI=1/C117243-64-0 4744588C\C=C(/Cl)C(=O)O 2-Chloro-2WMDBQMYV 99.8 InChI=1/C4600-13-5 4748060COc2cc(ccc2C(=O)/C=C/c1cc MetochalcHVAKUYCE 97 InChI=1/C118493-30-6 4795331

Ullmann On-LiOC(/C(=C/c1ccc(Cl)cc1Cl)n2cDiniconazoFBOUIAKE 145 InChI=1/C176714-88-0 4802970O=C(Nc1ccccc1)CCCCCCC\C=Octadec-9-YPUOCYKJ 41 InChI=1/C25429-85-6 4811262

CRC (2008) CCCCCCCC\C=C\CCCCCCCCN cis-9-Octa QGLWBTP 25 InChI=1/C1112-90-3 4864652Cl\C=C(\Cl)CSC(=O)N(C(C)C)CDIALLATE SPANOECC 25 InChI=1/C12303-16-4 4874545Cc1c(C)c(/C=CC(\C)=C\C=C\CMotretinidIYIYMCAS 179.5 InChI=1/C256281-36-8 4880635C[C@@H](O)[C@H](O)C(=O)[PlicamycinCFCUWKMK 181.5 InChI=1/C518378-89-7 4885486COc1ccc(cc1)C(\CC)=C(\CC)c Dimestrol VQOAQMIK 124 InChI=1/C2130-79-0 4899193CC(=O)/C=N/O HYDROXYI OVGLVOLW 69 InChI=1/C3306-44-5 4911438CC(=O)C(\C)=N\O 2,3-Butan FSEUPUDH 76.8 InChI=1/C457-71-6 4917792

Tomlin O=C(OC)N(OC)c3ccccc3COc1ccPyraclostroHZRSNVGN 64.45 InChI=1/C1175013-18-0 4928348O=C1C=COC1C Angelica L FAYUQJQO 18 InChI=1/C51333-38-6 4934683ClC\C=C/CCl 1,4-DICHL FQDIANVA -48 InChI=1/C41476-11-5 4937374CCCCC\C(=N\O)C(C)=O Octane-2,3CVRXVGUW 59 InChI=1/C8584-92-9 4937810ClC\C=C\C(=O)O 4-CHLOROCTVOMCUWV 83 InChI=1/C416197-90-3 4938755O=C(O)Cc2c1cc(ccc1n(c2C)C(CinmetacinNKPPORKK 170 InChI=1/C220168-99-4 4938825COc1cc(cc(OC)c1OC)/C=C/C Cinepazet XDUOTWNX 96 InChI=1/C223887-41-4 4939323O=[N+]([O-])c2ccc(/C=C/c1cc2-PYRIDIN JQKHJQJV 170.5 InChI=1/C113411-16-0 4940737Fc1ccc(\C=N\O)cc1 P-FLUORO FSKSLWXD 83.5 InChI=1/C7459-23-4 4940754Cn2c(cnc2/C=C/c1ccnc(N)n1)AZANIDAZ LHIALLMP 233.5 InChI=1/C162973-76-6 4940835CCCC(O)CC\C=C\C=C\C#CC#CEnanthotoxUPXPHJXY 87 InChI=1/C120311-78-8 4941097OC(\C(=C/c1ccc(Cl)cc1)n2cncUniconazolYNWVFAD 153 InChI=1/C183657-17-4 4941231OC(\C(=C/c1ccc(Cl)cc1)n2cncUniconazolYNWVFAD 153 InChI=1/C183657-22-1 4941231OC(\C(=C/c1ccc(Cl)cc1Cl)n2cDINICONAZFBOUIAKE 148.5 InChI=1/C183657-24-3 4941232CC(C)(O)CCCC(\C)=C\C=C\C(\Rhodopin CNYVJTJL 171 InChI=1/C4105-92-0 4941472C\C=C\CCCCCCCCO Undec-9-enXWGRSDL 6 InChI=1/C1112-46-9 4941474

Merck Index CC2(C)CC(O)C(=O)C(C)=C2/C=AstaxanthiMQZIGYBF 182.5 InChI=1/C4472-61-7 4942184O=C\C=C\C=C\c1ccccc1 2,4-PentadiUWTZBVTW 42.5 InChI=1/C113466-40-5 4942342N#C\C=C(\Cl)C#N CHLOROFUVXBAYIAW 60.5 InChI=1/C471200-79-8 4945182O=C(Nc1nc(cc(OC)n1)OC)NS(Cyclosulfa OFSLKOLYL 161.9 InChI=1/C1136849-15-5 4953619Clc2c(NCCOc1ccc(CCOCC)c(CPYRIMIDIF ITKAIUGKV 70 InChI=1/C2105779-78-0 4953620O=[N+]([O-])c1ccc(\C=N\O)o NIFUROXI PTBKFATYS 163 InChI=1/C5 5/1/6236 4979197ClC(Cl)C(=O)Nc1ccc2nn(nc2 Acetamide,KHPMMZDE 138 InChI=1/C1142312-58-1 4982688O=C(Nc1ccc2nn(nc2c1)C3CCCBenzamide,BJIXMMZS 212 InChI=1/C1142312-59-2 4982689

Clc1ccc(cc1Cl)C(=O)Nc2ccc3 Benzamide,SGXQWZUT 191 InChI=1/C1142312-60-5 4982690COc1cc(cc(OC)c1OC)C(=O)NcBenzamide,RBEIMXDR 130.5 InChI=1/C2142312-61-6 4982691[O-][N+](=O)c1ccc(cc1)C(=O Benzamide,AJVADFMB 236.5 InChI=1/C1142312-62-7 4982692ClCC(=O)Nc1ccc2nn(C)nc2c1 Acetamide,HQMROMKZ 176.5 InChI=1/C9142312-63-8 4982693O=C(OCC)Nc1ccc2nn(C)nc2c Carbamic acNNYILEAT 148 InChI=1/C1142312-64-9 4982694O=C(Nc1ccc2nn(C)nc2c1)c3cBenzamide,IXXCZBOU 165.5 InChI=1/C1142312-65-0 4982695Clc1ccc(cc1)C(=O)Nc2ccc3nnBenzamide,SGSDMYCQ 229 InChI=1/C1142312-66-1 4982696[O-][N+](=O)c1ccc(cc1)C(=O Benzamide,ILTQZGHB 280 InChI=1/C1142312-67-2 4982697COc1cc(cc(OC)c1OC)C(=O)NcBenzamide,NWBGGENI 113 InChI=1/C1142312-68-3 4982698C\C=N\Nc1ccccc1 N-Ethylide KURBTRNH 99.5 InChI=1/C8935-07-9 5020586C\C(=C/C(=O)O)C1CCCCC1 Cicrotoic AWVRIPRIL 85.5 InChI=1/C125229-42-9 5020605CCCCCCCC\C=C\CCCCCCCC# 9-OctadecenUIAMCVSN -1 InChI=1/C1112-91-4 5020782Clc1ccc(cc1)\C=C3/CCC(C)(C TriticonazoPPDBOQMN 140 InChI=1/C1131983-72-7 5020874Fc1cccc(F)c1C(=O)NC(=O)Nc2Flucycloxu PCKNFPQP 143.6 InChI=1/C2113036-88-7 5020876O=C(OC)/C(=C\OC)c3ccccc3OAzoxystrobWFDXOXNF 116 InChI=1/C2131860-33-8 5020878O=[N+]([O-])c2ccc(/C=N/N1 NITROFUR NXFQHRVN 263 InChI=1/C867-20-9 5036498O=S2(=O)CC(C)N(/N=C/c1ccc(NifurtimoxARFHIAQF 181 InChI=1/C123256-30-6 5246596NC(=S)N\N=C2\c1ccccc1N(C Methisazo DLGSOJOO 245 InChI=1/C11910-68-5 5259074[O-][N+](=O)c1ccc(cc1)c3cc DANTROLEOZOMQRBL 279.5 InChI=1/C17261-97-4 5290202O=C(OCC#C)C(C)Oc1ccc(cc1)OCLODINAF JBDHZKLJN 59.5 InChI=1/C1105512-06-9 5291880Clc2ccc(Cn1cncn1)cc2 1,2,4-Triaz YUTCHMNR 67 InChI=1/C946209-39-6 6445141

LIDE,DR ET AL.[O-][N+](=O)c1ccc(N\N=C(/C)2-ButanoneWPWSANGS 116.8 InChI=1/C1958-60-1 7838476O=C(/C=N/O)c1ccccc1 Isonitroso MLNKXLRY 129 InChI=1/C8532-54-7 7840755

Aldrich (1998) O=C(C(\C)=N\O)c1ccccc1 1-Phenyl-1YPINLRNG 114 InChI=1/C9119-51-7 7840781CC(C)(\C=N\OC(=O)NC)SC ALDICARB QGLZXHRN 99 InChI=1/C7116-06-3 7844539O=[N+]([O-])c1ccc(/C=N/N(C NidroxyzonFJVAAURID 214 InChI=1/C8405-22-1 7844540C(=N/C(/N=C/c1ccco1)c2cccoHydrofura CYGDSXFT 117 InChI=1/C1494-47-3 7844541

ChemFinder (2O\N=C\C(C)(C)SC Aldicarb o ZFGMCJAXI 21 InChI=1/C51646-75-9 7844560CC(C)(/C=N/OC(=O)NC)S(C)( ALDICARB YRRKLBAK 141 InChI=1/C71646-88-4 7844561Clc2ccc(OP(=S)(NC(C)=N)Oc1cGophacideXIBXUAZIZ 105 InChI=1/C14104-14-7 7844636

Tomlin CDS N#CCCC(C)(C)/C=N/OC(=O)NEthienocarFWISWWON 123 InChI=1/C958270-08-9 7845104CC(C(\C)=N\OC(=O)NC)S(C)( Butoxycar CTJBHIRO 87 InChI=1/C734681-23-7 7845475O=C(N\N=C\C=C\c1ccc(o1)[N+]Nifurzide IDUMOVRJN 235.5 InChI=1/C139978-42-2 7845510[O-][N+](=O)c1ccc(o1)/C=N NifurfolineWCEJYDIW 206 InChI=1/C13363-58-4 7845534O=C(N/N=C/c1ccc(OC)c(OC)cVerazide HPXIKMBH 189 InChI=1/C193-47-0 7848692CC=2CN(/N=C/c1cccnc1)C(= Pymetrozi QHMTXANC 217 InChI=1/C1123312-89-0 7850487CNC(=O)C(=N\OC)/c2ccccc2OSSF-126 HIIRDDUVR 88 InChI=1/C1133408-50-1 7850488N#C/C(=N\OCC1OCCO1)c2cccOXABETRINWFVUIONF 77.7 InChI=1/C174782-23-3 7850531C\C(SC)=N\OC(=O)N(C)SN(CcALANYCARGMAUQNJO 47 InChI=1/C183130-01-2 7850539

YALKOWSKY,SHCC(C)(C)C1=NN=C(SC)N(/N=CIsomethiozMZTLOILR 159.3 InChI=1/C157052-04-7 7850545Cc3nn(C)c(Oc1ccccc1)c3/C=NFenpyroxi YYJNOYZR 102 InChI=1/C2111812-58-9 7850857

ALDRICH (2003CCN(CC)c3ccc(/C=N/N(c1ccccBenzaldehyYGBCLRRWZ 94.5 InChI=1/C268189-23-1 7854514O=C(C(=N\OC(=O)NC)\SC)N(COXAMYL KZAUOCCY 101 InChI=1/C723135-22-0 7869433CN(SN(C)C(=O)O\N=C(/C)SC) THIODICARXDOTVMNB 173 InChI=1/C159669-26-0 7875353C/C(=N\OC)c2cccc(Oc1nc(cc PyriminobaUSSIUIGPB 107 InChI=1/C1136191-64-5 7878771

O=P(N/N=C/c1ccc(cc1)[N+]( TEPA,N-p-NHJJRJKXWG 149 InChI=1/C1100853-68-7 7879944O=P(N(/N=C/c1ccc(cc1)[N+](TEPA,N-p-NYGQDBUAL 149.5 InChI=1/C1100853-77-8 7933456O=P(N(/N=C/c1ccccc1)c2ccc(TEPA,N-benWMQSKGCN 149 InChI=1/C1100853-78-9 7945036BrC(Br)(Br)C(Br)C3C(C(=O)OCTRALOMETYWSCPYYR 143 InChI=1/C266841-25-6 7985670

Merck Index (2FC1=CN(C(=O)N=C1N)C2OC(CEmtricitab XQSPYNMV 138 InChI=1/C8143491-57-0 8013489O=C(CCCCCCC\C=C\CCCCCCCAmmonium WFXRJNDIB 71 InChI=1/C1544-60-5 8058437

Tomlin (2003) FC(F)(F)Oc1ccc(cc1)N(C(=O) IndoxacarbVBCVPMMZ 88.1 InChI=1/C2173584-44-6 8112367FC(F)(F)Oc1ccc(cc1)N(C(=O) DPX-JW062VBCVPMMZ 140.5 InChI=1/C2144171-61-9 8112367CC(=O)Nc1ncc2ncn(COCCOC(N2,O-DiaceNZSQZKSA 134 InChI=1/C1120356-09-4 8170099O=C(Oc1cc(C)ccc1C(C)C)NCCThymyl N- IVFPIHZOF 57 InChI=1/C1578-20-1 8374657Clc1cccc2c1C(=O)C=CC2=O 5-Chloro-[ SJYAKSBY 163 InChI=1/C140242-15-7 8417170CC=2CCCC(C)(C)C=2/C=CC(\C.beta.,.bet OENHQHLE 183 InChI=1/C47235-40-7 8432151CC(C)(C)NC(=O)O O-T-BUTYLXBXCNNQP 106.5 InChI=1/C54248-19-5 8523767CC(=O)Nc1ncc2ncn(COCCO)cN2-AcetyldLPOUIKBM 181 InChI=1/C1SRC002-62-2 8530222O=C(OCN1C(=O)C(NC1=O)(c2cPhenytoin UPQWMVAE 131.1 InChI=1/C2SRC003-42-3 8536105CC(=O)OCCOCn2cnc1cnc(N)nO-AcetyldeZGBDUUGW 135 InChI=1/C1SRC002-62-3 8597688O=C(OCN1C(=O)CCC1=O)c2ccBENZOIC ACLNIRSJVVX 117.5 InChI=1/C132620-72-7 8599779CCOc1ccc2C[C@H]5N(C)CC[ DIONINE OGDVEMNW 200 InChI=1/C176-58-4 8601161CC(=O)c1cc2ccc(O)c(O)c2cc1ETHANONE,QXUFCDRQ 169.5 InChI=1/C1118199-17-0 8640859COc1ccc2C[C@@H]3[C@@H]5Codeine N-BDLSDHWC 231.5 InChI=1/C13688-65-1 8646374Clc1ccc(Cl)c2cccnc12 5,8-Dichlo AGEBWUNA 97.5 InChI=1/C9703-32-2 8663570

E-838 KNIUHBNR 38 InChI=1/C1299-45-6 8671899O=C(O)C(C)(C)n1nc2ccccc2n 2H-BENZOTRZXUHPEIOY 152.5 InChI=1/C116583-98-5 8831195COc1ccc(cc1)CNC(=O)C(=O)c31H-Indole-SNEWVMXJ 274.5 InChI=1/C1149167-42-0 8841101Oc1ccc(cc1)CNC(=O)C(=O)c3c1H-Indole-VAARLVBA 240 InChI=1/C1149167-56-6 8863783CCCCCCCC/C=C\CCCCCCCO OLEYL ALCOZULLPVZWN 6.5 InChI=1/C1143-28-2 8928798COc2ccc(Cn1cncn1)cc2 1,2,4-Triaz SRUVAHBD 41.5 InChI=1/C1115201-42-8 9020622CC(C)CCCCCCCCCCCO 1-TRIDECAZXUOFCUE 10.5 InChI=1/C121987-21-3 9053802

ChemFinder (2CCCCC(S)(CCCC)CCC tert-DodecBGQHJKAD -7.5 InChI=1/C125103-58-6 9107782O=C(OCC)C2(C)CC(=NN2c1cccMefenpyr-dOPGCOAPT 51 InChI=1/C1135590-91-9 9112846O=C4c1ccccc1C(=O)C4(CC)CC2INDANOFAPMAAYIYC 61 InChI=1/C2133220-30-1 9221265O=S(=O)(CC(=O)OC(C)C)c1cccIsopropyl (DBCUYSCF 41 InChI=1/C1136991-36-1 9283761CCCCNC(=O)COC(=O)c1cccccACETAMIDEFUKCEEDR 69.5 InChI=1/C1115193-28-7 9370760Cc1cccc(I)c1O Phenol, 2- GZZUGNNH 15.5 InChI=1/C724885-45-8 9394100Oc2ccc3C[C@@H]1C4CCCC[CLEVORPHAJAQUASYN 198.5 InChI=1/C177-07-6 9405685O=C(COC(=O)c1ccccc1)N2CCMORPHOLINAVZVLGDS 103.5 InChI=1/C1106231-68-9 9440180BrC(Br)C(F)F 1,2-DibromNXFKOKIVS -61.3 InChI=1/C275-82-1 9588311Cl\C=C(\Cl)C(F)(F)F PROPENE, ZHJBJVPTR -109.2 InChI=1/C3431-27-6 9703191OCC(=O)[C@@]54OC(C)(C)OTRIAMCINOYNDXUCZA 293 InChI=1/C276-25-5 9743016

Tomlin (2003) FC(F)(F)c1cccc(c1)C(\C)=N\ Trifloxystr ONCZDRUR 72.9 InChI=1/C2141517-21-7 9839700O=C3O/C(C(=O)N3c2cc(OC1CCPENTOXAZJZPKLLLUD 104 InChI=1/C1110956-75-7 9888955CC3(C)C1CCC3(C)C(C1)c2cc(CXibornol RNRHMQWZ 95 InChI=1/C113741-18-9 9951982FC(I)I Diiodofluo RIHYOLCRH -34.5 InChI=1/CH1493-01-2 9996877CC(Oc1ccccc1)C=O P-HYDROXWIYQCLDT 149 InChI=1/C970-70-2 10004266Oc3ccccc3c1nc2ccccc2o1 2-(2-HYDR GHGZVWOT 123.5 InChI=1/C1835-64-3 10178788

Clc1c(c(Cl)c(Cl)c(Cl)c1Cl)C(Cl)DichloromeAWLHOCSH 119.5 InChI=1/C72136-95-0 10178791Clc1ccc(C(Cl)Cl)c(Cl)c1Cl 1-(Dichlor GTQJFLXW 84 InChI=1/C756961-82-1 10178792BrCOCBr Bromo-broCVDGHGWE -34 InChI=1/C24497-29-4 10178797Cl\C=C(/Cl)C(/Cl)=C\Cl 1,2,3,4-T RLWBAEOR -4 InChI=1/C41637-31-6 10178801Oc1cc2c(cc1)cccc2Cl 8-CHLORO XSMAIDLO 101 InChI=1/C129921-50-4 10178926Cc1cc(Cl)nn1C 1,5-DimethZOFUHMRP 47.5 InChI=1/C551500-32-4 10178966Oc1c(cccc1Cl)C(=O)OCC 3-Chloro-2-ODGDGWPL 21 InChI=1/C956961-32-1 10178994Clc1cc(Cl)c(Cl)c(Cl)c1C 2,3,4,6-Te UURGNCIPR 94 InChI=1/C7875-40-1 10179008Cc1cc(Cl)cc(Cl)c1Cl 2,3,5-TrichOKLGPXYA 45.5 InChI=1/C756961-86-5 10179009ClC(Cl)(Cl)C(=O)OC(Cl)(Cl)Cl TRICHLOROYYWRWVLW 34 InChI=1/C36135-29-1 10179012C[C@H]1CC[C@@H](O)CC1 4-METHYLCMQWCXKGK -9.2 InChI=1/C77731-28-4 10179026

CRC F[Si](F)(F)OCC Silane, eth DHYCULBU -122 InChI=1/C2460-55-9 10179150CRC CC[Si](F)(F)F Silane, ethyNHOREJPM -105 InChI=1/C2353-89-9 10179151

COc1ccc(cc1)C(=O)O P-METHOXYZEYHEAKUI 185 InChI=1/C8100-09-4 10181338O=C(O)CCc1ccccc1 BETA-PHENXMIIGOLP 107 InChI=1/C9501-52-0 10181339

Merck Index OC(=O)Cc1ccccc1 PHENYLACEWLJVXDMO 76.5 InChI=1/C8103-82-2 10181341Oc3ccccc3c1nc2ccccc2s1 2-(2-HYDR MVVGSPCX 131 InChI=1/C13411-95-8 10181821OC=3c4ccccc4OC(=O)C=3CC1DICOUMARDOBMPNYZ 290 InChI=1/C166-76-2 10183330COc1ccccc1NC(C)=O O-METHOXYFGOFNVXH 87.5 InChI=1/C993-26-5 10188566CC=3C[C@@]2(C[C@H]1CC[ DioscorineYBQKKTND 54.5 InChI=1/C13329-91-7 10194088O=C(O)/C=C/C(=O)O MALEIC ACVZCYOOQT 130.5 InChI=1/C4110-16-7 10197150FC(F)C(=O)O Acetic acid,PBWZKZYH -1 InChI=1/C2381-73-7 10200426FCC(=O)O FLUOROACEQEWYKACR 35.2 InChI=1/C2144-49-0 10205670

ALDRICH (2000OC2=CC(=O)N(C)c1ccccc12 2(1H)-QuinRTNPPPQV 270 InChI=1/C11677-46-9 10211152Ullmann EncycCOc1ccc3c(c1)nc2c3CCN=C2 HARMALINRERZNCLIY 230 InChI=1/C1304-21-2 10211258

CC2(C)CC(O)CC(C)=C2/C=CC(\ZeaxanthinJKQXZKUSF 215.5 InChI=1/C4144-68-3 10225633Oc1ccccc1\C=N\O BenzaldehyORIHZIZPT 57 InChI=1/C794-67-7 10229769Oc2ccccc2/C=N/c1ccccc1 2-HYDROXYQIYHCQVV 49.5 InChI=1/C1779-84-0 10237273

Merck Index FC(F)(F)C(=O)O TRIFLUORODTQVDTLA -15.2 InChI=1/C276-05-1 10239201O=C(C)Nc1ccc(C)cc1 4-METHYLAYICAMJWH 152 InChI=1/C9103-89-9 10243171Clc1ccc2N=C(C[N+]([O-])=C(cLIBRIUM ANTSCNMP 236.2 InChI=1/C158-25-3 10248513N#CCCOc2cccc1ccccc12 PROPANENIAJFRMLXE 64 InChI=1/C158889-08-0 10250740O=C(O)c1ccco1 2-FURANCASMNDYUVB 133.5 InChI=1/C588-14-2 10251740

LIDE,DR ET AL.OC2=CC(=O)Oc1ccccc12 4-Hydroxy VXIXUWQI 213.5 InChI=1/C91076-38-6 10254753C3CCCN4C[C@H]2C[C@H](C L-SPARTEI SLRCCWJSB 30.5 InChI=1/C190-39-1 10254876COc1ccc(cc1)C(N)=O P-METHYOGUCPYIYFQ 166.5 InChI=1/C83424-93-9 10256859O=C(Nc1ccc(C)cc1)c2ccccc2 N-p-Tolyl- YUIHXKGKV 158 InChI=1/C1582-78-5 10274392O=C(O)\C=C(/C)C(=O)O 2-ButenedioHNEGQIO 204.5 InChI=1/C5498-24-8 10289044Cl/C(Cl)=C(/Cl)C(=O)O 2,3,3-TRI WMUBNWIG 76 InChI=1/C32257-35-4 10289059Oc2cccc1nc3ccccc3nc12 1-HYDROXYSVRNCBGW 158 InChI=1/C1528-71-2 10293196OC2=C(Cc1c(OC)cc(O)c(C(=ODesaspidinGAHOBHHM 150 InChI=1/C2114-43-2 10295071Cc1cccc(C)c1C(O)=O 2,6-DIMETHCBHQDKB 116 InChI=1/C9632-46-2 10295497Oc2ccc(/N=N/c1ccccc1)cc2 P-PHENYL BEYOBVMP 155 InChI=1/C11689-82-3 10296254Oc3ccc1ccccc1c3/N=N/c2ccc1-(PHENYLMRQIXHXH 134 InChI=1/C1842-07-9 10296256O=C(C)Nc1ccc(N)cc1 P-AMINOACCHMBIJAO 166.5 InChI=1/C8122-80-5 10297844

O=C(C)Nc1ccccc1C ACETAMIDEBPEXTIMJ 110 InChI=1/C9120-66-1 10298354Kirk-Othmer (2BrCC(=O)O BROMOACETKDPAWGWE 50 InChI=1/C279-08-3 10301338

O\N=C\c1ccncc1 4-PYRIDIN OFYLBLSS 131.5 InChI=1/C6696-54-8 10302295C\C(CO)=C\C1c3cccc2ncc(CCChanoclaviSAHHMCVY 221 InChI=1/C12390-99-0 10302455

ALDRICH (2000O\N=C\c1ccccn1 3-Pyridine MTFJSAGA 151.5 InChI=1/C61193-92-6 10302871Cc1ccc2nc(C)nc2c1 1H-BENZIMMVHOAOSH 203 InChI=1/C91792-41-2 10344748CC(=O)OC4C(C)C(OC)C=COC3(Rifamycin HJYYPODYN 300 InChI=1/C36998-60-3 10396152O=P(OC)OC DIMETHYL HZCDANOF -60 InChI=1/C2868-85-9 10415644COc2ccc(\N=[N+](\[O-])c1ccc4,4'-DIME KAEZRSFW 127 InChI=1/C11562-94-3 10429945O=C2c1ccccc1C(=O)C(O)=C2 2-ME-3-OHLULCPJWU 173.5 InChI=1/C1483-55-6 10430996CC(=O)NC(=O)COC(=O)c1ccccACETAMIDENZDAAPUT 104.5 InChI=1/C168659-48-3 10436392CC=1C(=S)SSC=1CCC 4-Methyl-5-SGAQNVYX 49 InChI=1/C7164584-59-2 10437288Oc1cc2ncccc2cc1 7-QUINOLIXCRPPAPD 239 InChI=1/C9580-20-1 10437304OC=1C(=O)OC(C(O)CO)C=1O 5(1,2-Dihy CIWBSHSK 168.5 InChI=1/C662624-30-0 10437567Fc2ccc(Cn1cncn1)cc2 1,2,4-Triaz XHFVFKGF 64 InChI=1/C9115201-41-7 10437735CC(=O)n2ncc1c2ncnc1O ALLOPURINHBVOLZAK 252 InChI=1/C796448-60-1 10437749CCc1cc2cc(O)c(O)cc2cc1 2,3-NAPHTNDJJECGAJ 149 InChI=1/C1136944-43-9 10438014NC(=O)C(C)n1nc2ccccc2n1 2H-BENZOTFXBZXBDK 169.5 InChI=1/C9115054-88-1 10438042CCC(=O)n2ncc1c2ncnc1O ALLOPURINZUXVZGNV 261 InChI=1/C896448-61-2 10438073CNC(=O)COC(=O)c1ccccc1 ACETAMIDEZWAHHEQQ 111.5 InChI=1/C1106231-50-9 10438089COC1=C(OC)C(=O)C(C)=C(C) 2,3-DIMETNOYQJVWD 62.5 InChI=1/C1483-54-5 10438147O=C1NC(=O)C(F)=CN1C(=O)N1(2H)-PYR WMGRASJO 226.5 InChI=1/C760908-29-4 10438191O=S(N)(=O)c1ccc(CCCO)cc1 BENZENESUNSNHWGDF 95.5 InChI=1/C9135832-46-1 10438273CCC=2SSC(=O)C=2c1ccccc1 5-Ethyl-4-pOEPSKQLA 82 InChI=1/C1164584-65-0 10438282Clc1ccc(cc1Cl)Cn2cncn2 1,2,4-Triaz ZROKMGPX 46.5 InChI=1/C9115201-45-1 10438285NS(=O)(=O)c1cc2SCCC(=O)c25H-THIENOAIVXUNRQ 213.5 InChI=1/C7105951-32-4 10438326NS(=O)(=O)c1cc2c(s1)SCCC2 4H-THIENOWKLCYOHF 222 InChI=1/C7105951-31-3 10438327NS(=O)(=O)c1cc2c(s1)SCCC2 4H-THIENOQUBSMEXI 169 InChI=1/C7106319-38-4 10438329NS(=O)(=O)c1cc2SCCC(O)c2s5H-THIENOUGQVTTBS 157.5 InChI=1/C7106319-44-2 10438330NS(=O)(=O)c1ccc(SCCCO)s1 2-THIOPHEFDKRNXKC 63 InChI=1/C7104437-99-2 10438332CCOc1cc2cc(O)c(O)cc2cc1 2,3-NAPHTYQWGZHRN 131.5 InChI=1/C1136944-52-0 10438440NC(=O)C(C)(C)n1nc2ccccc2n12H-BENZOTMQWOMZW 173.5 InChI=1/C1115054-85-8 10438446NC(=O)C(CC)n1nc2ccccc2n1 2H-BENZOTHWCDCYYA 127.5 InChI=1/C1115054-76-7 10438448NC(=O)CC(C)n1nc2ccccc2n1 2H-BENZOTGZVAEUIQ 152.5 InChI=1/C1115054-94-9 10438450NC(=O)CC(C)n2nnc1ccccc12 1H-BENZOTMZXBBJOJJ 103 InChI=1/C199069-47-3 10438453O=C(O)CC(C)n1nc2ccccc2n1 2H-BENZOTYNLCGSUIC 82.5 InChI=1/C14248-18-4 10438468CCCC(=O)n2ncc1c2ncnc1O ALLOPURINABLLZVRK 223.5 InChI=1/C996474-05-4 10438492CN(C)C(=O)COC(=O)c1ccccc1ACETAMIDEWKIMLEWQ 81.5 InChI=1/C1106231-54-3 10438513CCNC(=O)COC(=O)c1ccccc1 ACETAMIDEFPWKJKWO 106 InChI=1/C164649-57-6 10438514NC(=O)c1ccccc1OCOC(C)=O BENZAMIDEPYRPQKYU 92.5 InChI=1/C1102273-25-6 10438557Nc1cc(nc(N)[n+]1[O-])N2CCCMINOXIDILZFMITUMM 248 InChI=1/C938304-91-5 10438564Oc1ccc(cc1O)C(O)CCCCC BENZENEMEGRUQPHSD 109 InChI=1/C1118198-71-3 10438579O=S(N)(=O)c1ccc(CCCCO)cc1BENZENESUNCRQTZXH 78.5 InChI=1/C1135832-48-3 10438694NS(=O)(=O)c1ccc(SCCCO)cc1 BENZENESUBHBPVVOU 117 InChI=1/C9108966-51-4 10438748NS(=O)(=O)c1ccc(SCCO)c(F)c BENZENESUIQXIDCDQC 110 InChI=1/C8108966-70-7 10438752

NS(=O)(=O)c1cc2C(O)CCS(=O4H-THIENODWEPFAMA 165 InChI=1/C7106335-79-9 10438770NS(=O)(=O)c1cc2c(s1)C(O)C 5H-THIENOXEROSHXM 190.5 InChI=1/C7105951-36-8 10438771NS(=O)(=O)c1ccc(SCCCCO)s12-THIOPHENXAORBGA 48.5 InChI=1/C8135832-38-1 10438773CCCCc2ccc(Cn1cncn1)cc2 1,2,4-Triaz DZSXYPPK 37.5 InChI=1/C1115201-43-9 10438869NC(=O)C(CCC)n1nc2ccccc2n12H-BENZOTYJRUGKMX 126.5 InChI=1/C1115054-83-6 10438902NC(=O)CCC(C)n1nc2ccccc2n12H-BENZOTQCNODJYS 102 InChI=1/C1115054-97-2 10438905NC(=O)C(CCC)n2nnc1ccccc121H-BENZOTLUNCXOSN 125 InChI=1/C1115054-89-2 10438907O=C(COC(=O)c1ccccc1)N2CCAZETIDINE,RSDMFNVR 74.5 InChI=1/C1115178-66-0 10438924O=C(O)CCC(C)n2nnc1ccccc12PENTANOIC FJVUEWJL 86 InChI=1/C1115054-91-6 10438930O=C(O)CCC(C)n1nc2ccccc2n1PENTANOIC DUOIEESD 73 InChI=1/C1115054-96-1 10438931O=C(OCC)C(C)n1nc2ccccc2n12H-BENZOTRJDTDHRXQ 39.5 InChI=1/C175584-51-9 10438934CCN(C)C(=O)COC(=O)c1cccccACETAMIDEDPSDOLCR 20 InChI=1/C1115193-32-3 10438984CCCNC(=O)COC(=O)c1ccccc1ACETAMIDEOLCZSUFM 89.5 InChI=1/C1106231-51-0 10438986CC(C)NC(=O)COC(=O)c1cccccACETAMIDEFUWATACA 129.5 InChI=1/C1115193-27-6 10438987CC2=NOC(=O)\C2=N\Nc1ccccDrazoxolonOOTHTARU 168 InChI=1/C15707-69-7 10439157O=S(N)(=O)c1ccc(CCCCCO)ccBENZENESUKFRDUIZQ 86 InChI=1/C1135832-50-7 10439207NS(=O)(=O)c1ccc(SCCCCO)cc BENZENESUWDXVDWRS 101 InChI=1/C1135832-41-6 10439258O=S(N)(=O)c1ccc(cc1)S(=O)( BENZENESUUPDXBCKJ 165 InChI=1/C8108966-49-0 10439264NS(=O)(=O)c1ccc(SCCCO)c(F)BENZENESUYPMIELKCF 110.5 InChI=1/C9108966-74-1 10439265NS(=O)(=O)c1cc2c(s1)C(=O) 5H-THIENOHYVMOJOT 266 InChI=1/C7105951-39-1 10439280NS(=O)(=O)c1cc2C(=O)CCS(= 4H-THIENOBGNCCUHE 242.5 InChI=1/C7105951-35-7 10439281Clc1cc(ccc1SCCCO)S(N)(=O)=BENZENESUCSTMINJJ 127 InChI=1/C9108966-73-0 10439282NS(=O)(=O)c1cc2C(O)CCS(=O4H-THIENOMAZCFXDI 167.5 InChI=1/C7106400-04-8 10439285NS(=O)(=O)c2cc1c(CC(O)CS1 5H-THIENOZGRYQDHD 187 InChI=1/C7106319-46-4 10439286NS(=O)(=O)c1cc2c(s1)C(O)C 5H-THIENOLNVGTRNK 164 InChI=1/C7106319-45-3 10439287NS(=O)(=O)c1cc2CC(O)CS(=O4H-THIENOAPTGDJCK 174 InChI=1/C7106319-42-0 10439288O=S(=O)(CCCO)c1ccc(s1)S(=O2-THIOPHEBRUBIFOC 107 InChI=1/C7104438-02-0 10439292NC(=O)C(CCCC)n1nc2ccccc2n2H-BENZOTFYISPRYW 101.5 InChI=1/C1115054-90-5 10439439NC(=O)C(CCCC)n2nnc1ccccc11H-BENZOTYOPBYWDH 118 InChI=1/C1115054-81-4 10439441O=C(COC(=O)c1ccccc1)N2CCPyrrolidineGILNGPKT 58 InChI=1/C1SRC000-10-3 10439461O=C(OCC)C(CC)n1nc2ccccc2n2H-BENZOTRDABNZGMN 48.5 InChI=1/C1115054-80-3 10439469CC(=O)N(C)C(=O)COC(=O)c1cACETAMIDEJQUIGGQYR 102.5 InChI=1/C1115178-80-8 10439498CN(C)C(=O)CCCOC(=O)c1ccccBUTANAMIDFNROXVCR 40.5 InChI=1/C1115178-78-4 10439505CCN(CC)C(=O)COC(=O)c1ccccBENZOIC AMTAAHMQC 72.5 InChI=1/C164649-63-4 10439507NC(=O)CNC(=O)COC(=O)c1ccACETAMIDEXYGUXAGV 151.5 InChI=1/C1106231-53-2 10439521NC(=O)c1ccccc1OCOC(=O)CCBUTANOIC ZQHLGNTZN 57 InChI=1/C1103951-39-9 10439550OCCN(C)C(=O)COC(=O)c1ccccACETAMIDEWRKNTBMM 79 InChI=1/C1106231-59-8 10439551Oc1ccc(cc1O)C(=O)NCCCCCCBENZAMIDEAVKUPLRKK 139.5 InChI=1/C198378-56-4 10439556O=S(N)(=O)c1ccc(CCCOC(C)=ACETIC AC SUUOUMWE 87.5 InChI=1/C1135832-47-2 10439715NS(=O)(=O)c1ccc(SCCCCCO)cBENZENESUFDORWDSK 103 InChI=1/C1108966-54-7 10439792NS(=O)(=O)c1ccc(SCCC(C)(C) BENZENESUQDBGFWZG 140.5 InChI=1/C1108966-53-6 10439793NS(=O)(=O)c1cc2cc(CNCCF)s THIENO[2, SUYKQOFD 203 InChI=1/C9122321-32-8 10439807O=S(N)(=O)c1ccc(cc1)S(=O)( BENZENESUOUYRCRDE 150 InChI=1/C9108966-55-8 10439810NS(=O)(=O)c1ccc(SCCCCO)c(FBENZENESUVCSKMHJY 104 InChI=1/C1108966-75-2 10439811Nc1cc(ccc1S(=O)(=O)CCO)S( BENZENESUKHXANPYDV 129 InChI=1/C8135832-45-0 10439813

Fc1cc(ccc1S(=O)(=O)CCO)S(NBENZENESUIAWYFQRA 165 InChI=1/C8108966-76-3 10439817O=S(=O)(CCCCO)c1ccc(s1)S(=2-THIOPHEWJGJBTRP 109 InChI=1/C8135832-39-2 10439835Oc3ncnc1c3cnn1C(=O)c2ccccALLOPURINOEYHHMLI 271 InChI=1/C196448-63-4 10439923O=C(N/N=C/c1ccccc1O)c2ccnSalinazid VBIZUNYMJ 232 InChI=1/C1495-84-1 10439927CC(=O)Nc1ccc2nn(nc2c1)C3 ACETAMIDERZKSTAHG 94 InChI=1/C1130787-06-3 10439957O=C(COC(=O)c1ccccc1)N2CCPIPERIDINEBCNWJNNK 88 InChI=1/C1106231-67-8 10439990O=C(OCC)C(CCC)n1nc2ccccc 2H-BENZOTRAPPUGXPM 36.5 InChI=1/C1115054-82-5 10439996CCN(CC)C(=O)C(C)OC(=O)c1cPROPANAMIDBZZFPIRKN 53.5 InChI=1/C1115178-79-5 10440027NC(=O)CN(C)C(=O)COC(=O)c1ACETAMIDEDLVAUVPZ 101.5 InChI=1/C1106231-62-3 10440039NC(=O)C(C)NC(=O)COC(=O)c1PROPANAMIGUNGCOIX 201.5 InChI=1/C1115193-30-1 10440040O=C(O)CN(C)C(=O)COC(=O)c1GLYCINE, SHYSSTOS 106.5 InChI=1/C1106231-64-5 10440055CC(C)(C)C(=O)OCOc1ccccc1CO-(Pivaloy WLYDAGOZ 95 InChI=1/C1103951-40-2 10440063CCN(CCO)C(=O)COC(=O)c1ccACETAMIDEIIZIPXWX 79 InChI=1/C1106231-60-1 10440065O=C(OC)n1c3ccccc3nc1c2csc1H-BenzimidXOLFCAOG 123.5 InChI=1/C134675-53-1 10440142O=C(c1csc(c1)S(=O)(N)=O)c2c2-THIOPHEGYTMHWVF 176 InChI=1/C1119018-06-3 10440273O=C(c1csc(c1)S(=O)(N)=O)c22-THIOPHEOJXOXNIZN 192.5 InChI=1/C1118993-57-0 10440278S=C/C(C=S)=C(\C(=O)OC(C)C)MALOTILA MLAFWZQB 60.5 InChI=1/C159937-28-9 10440297NS(=O)(=O)c1ccc(SCCCO)c(c1BENZENESUSFAAYTTW 163 InChI=1/C9108966-59-2 10440311O=S(N)(=O)c1ccc(cc1)S(=O)( BENZENESUHLBQGOCN 134.5 InChI=1/C1135832-42-7 10440313Nc1cc(ccc1S(=O)(=O)CCCO)S BENZENESUOZADORIE 137 InChI=1/C9108966-61-6 10440318Fc1cc(ccc1S(=O)(=O)CCCO)S(BENZENESUYMPAILZZ 130 InChI=1/C9108966-77-4 10440321O=S(=O)(CCOC(C)=O)c1ccc(s1ACETIC ACICBCCXWBW 115 InChI=1/C8135832-36-9 10440346C=CCN(CC=C)C(=O)COC(=O)cACETAMIDEKIBXYDHX 42.5 InChI=1/C1106231-58-7 10440513CCCCNC(=O)c1cc2cc(O)c(O)c2-NAPHTHAHORNXRNF 194 InChI=1/C1136944-48-4 10440514OC(=O)C2CCN2C(=O)COC(=O)2-AZETIDI JLZFEIOG 149.5 InChI=1/C1115178-74-0 10440572OC1CCN(CC1)C(=O)COC(=O)c4-PIPERIDI YVWZWRFA 121.5 InChI=1/C1115178-71-7 10440578CCCCCCNC(=O)COC(=O)c1cccACETAMIDEZTEWWPFY 130.5 InChI=1/C1115193-29-8 10440585Oc1ccc(/C=C/C(=O)NCCCCCC2-PROPENAFHMOUGPY 142 InChI=1/C1100668-11-9 10440586CCCN(CCC)C(=O)COC(=O)c1ccACETAMIDECOTRONQE 20 InChI=1/C1106231-55-4 10440587CC(C)N(C(C)C)C(=O)COC(=O)cACETAMIDEZWUAUTPCF 105.5 InChI=1/C1106231-56-5 10440588O=C(C)Oc1ccccc1C(=O)OCC(=BENZOIC ACFDTMXYKU 75.5 InChI=1/C1118247-04-4 10440610O=C(C)Oc1ccccc1C(=O)OCC( BENZOIC ACQZTDIROW 80.5 InChI=1/C1118247-01-1 10440611O=C(C)Oc1ccccc1C(=O)OCC( BENZOIC ACHFSBGVJIC 51.5 InChI=1/C150785-24-5 10440623OCCN(CCO)C(=O)COC(=O)c1cACETAMIDEUCIUVGVKE 81 InChI=1/C1106231-61-2 10440643O=C(OCC)n1c3ccccc3nc1c2cs1H-BenzimidUGRWIGCKF 84.5 InChI=1/C119541-20-9 10440696ClCC(=O)Nc1ccc2nn(nc2c1)C ACETAMIDEKLXBNCZIJ 150.5 InChI=1/C1130787-07-4 10440736CS(=O)(=O)Nc1ccc2nn(nc2c12H-BENZOTVCHCILUP 126.5 InChI=1/C1130787-21-2 10440758O=C(c1coc(c1)S(=O)(N)=O)c22-FURANSUOIEIIZQFS 181 InChI=1/C1118993-61-6 10440764O=S(N)(=O)c1ccc(CCCCCOC(CACETIC AC XHIANHOH 84 InChI=1/C1135832-51-8 10440799O=C(c1csc(c1)S(=O)(N)=O)c22-THIOPHECNGDZXAW 174 InChI=1/C1118976-97-9 10440853O=S(=O)(c1coc(c1)S(=O)(N)=O2-FURANSUVZNKQCCT 185 InChI=1/C1128348-34-5 10440866NS(=O)(=O)c2cc3cc(CN1CCOCTHIENO[2, VZTQPJTY 244 InChI=1/C1122321-30-6 10440868O=S(=O)(c1coc(c1)S(=O)(N)= 2-FURANSUNKPDCGFEJ 175 InChI=1/C1128348-44-7 10440875NS(=O)(=O)c1ccc(SCCCO)c(c BENZOIC ASYBOVEKR 124 InChI=1/C1108966-66-1 10440885Fc1cc(ccc1S(=O)(=O)CCCCO)SBenzenesulJOLVGDBQ 134.5 InChI=1/C1108966-78-5 10440894

O=S(=O)(c1csc(c1)S(=O)(N)=O2-THIOPHECPVNPDGQ 185 InChI=1/C1128348-32-3 10440899O=S(=O)(c1csc(c1)S(=O)(N)=O2-THIOPHELRQUYRAD 145 InChI=1/C1128348-43-6 10440903O=S(=O)(c1csc(c1)S(=O)(N)=O2-THIOPHEIGEMDIAQ 193 InChI=1/C1128348-42-5 10440904O=S(=O)(CCCOC(C)=O)c1ccc(sACETIC ACIOCRGOCPZ 104 InChI=1/C9104438-04-2 10440918ClC1C2C(Cl)C(Cl)C(C(Cl)Cl)(C1TOXAPHENEICTWAJXD 77 InChI=1/C18001-35-2 10440990Oc2ccc(/C=C\C(=O)NCc1cccc2-PROPENAJBDQTGJGX 165 InChI=1/C1100668-10-8 10441062O=C(OCC)Nc1ccc2nn(nc2c1) 2H-BENZOTTUIJDUXKH 121.5 InChI=1/C1130787-12-1 10441139CC2CCCC(C)N2C(=O)COC(=O)PIPERIDINEWJUSVIUZ 118 InChI=1/C1115178-70-6 10441160O=C(COC(=O)c1ccccc1)N2CCPIPERIDINEWXHDYGRK 54.5 InChI=1/C1115178-69-3 10441161O=C(N)C2CCCN2C(=O)COC(=OL-PROLINAQUIKDFWI 194.5 InChI=1/C1106231-69-0 10441173OC(=O)C2CCCN2C(=O)COC(=OL-PROLINE,GZXGHZDS 116.5 InChI=1/C1115178-75-1 10441190CCCCCCN(C)C(=O)COC(=O)c1Acetamide,YWPYUSOO 100.5 InChI=1/C1SRC000-17-2 10441196O=C(OCC)CN(C)C(=O)COC(=O)GLYCINE, VPGYQOPH 39.5 InChI=1/C1106231-63-4 10441221OCC(CO)(CO)NC(=O)COC(=O)ACETAMIDEMSMHOCZ 126.5 InChI=1/C1115193-31-2 10441275

Lukasiak,J (198Cc1cc(cc(C)c1)O[Si]23OCCN 1-(3,5-DI IJONGRLE 219.5 InChI=1/C190955-56-9 10441379O=S(=O)(c1ccc(C)cc1)C2(CCCIsopropyl (HMGCFJCN 50.8 InChI=1/C1160790-13-6 10441389ClC(Cl)C(=O)Nc1ccc2nn(nc2c ACETAMIDENFGBNJWV 119 InChI=1/C1130787-08-5 10441458O=S(=O)(c1coc(c1)S(=O)(N)= 2-FURANSUVXLVYFXPZ 117.5 InChI=1/C1128348-35-6 10441470O=S(N)(=O)c1ccc(cc1)S(=O)( BENZENESUQPIRTNZX 223 InChI=1/C1135832-44-9 10441476O=S(=O)(CCO)c1ccc(cc1C(=OBENZOIC AFCPZETAD 99 InChI=1/C1135832-43-8 10441486O=S(=O)(CCCO)c1ccc(cc1[N+]BENZENESUQQQVGFJT 169 InChI=1/C9108966-60-5 10441490O=S(=O)(c1csc(c1)S(=O)(N)= 2-THIOPHEVDAMAZDK 170 InChI=1/C1119731-18-9 10441498COc3ccccc3/N=N/c1c2ccccc2SOLVENT RALLOLPOY 183 InChI=1/C11229-55-6 10441568OC=1c3ccccc3OC(=O)C=1C(CCPHENPRO DQDAYGNA 179.5 InChI=1/C1435-97-2 10441592Oc2ccc(/C=C\C(=O)NCCc1ccc2-PROPENAQOWABIXY 158 InChI=1/C1103188-47-2 10441617CC(C)(C)C(=O)Nc1ccc2nn(nc 2H-BenzotriBDLGAMJT 135.5 InChI=1/C1130787-10-9 10441680O=C(COC(=O)c1ccccc1)N2CCL-PROLINE,UQIKOYWG 72.5 InChI=1/C1115178-76-2 10441742CC(C)CN(CC(C)C)C(=O)COC(= ACETAMIDEKXYFWLVS 44.5 InChI=1/C1115193-33-4 10441749CCCCN(CCCC)C(=O)COC(=O)cACETAMIDEORAHATG 25 InChI=1/C1106231-57-6 10441750O=C(C)Oc1ccccc1C(=O)OCC(=BENZOIC ACHEFOCUJBD 76.5 InChI=1/C1116482-56-5 10441768O=C(C)Oc1ccccc1C(=O)OCC( BENZOIC ACUDKPETZNU 186 InChI=1/C1118247-02-2 10441778CC(O)CN(CC(C)O)C(=O)COC(=ACETAMIDELDCFNNYC 105.5 InChI=1/C1115178-63-7 10441792COCCN(CCOC)C(=O)COC(=O)cACETAMIDELJCFRMUK 57.5 InChI=1/C1115178-64-8 10441793CC(C)COC(=O)n1c3ccccc3nc11H-BenzimidAPCDMDJM 72.5 InChI=1/C1142011-56-1 10441845ClC(Cl)(Cl)C(=O)Nc1ccc2nn( ACETAMIDEQIMAYCBR 136 InChI=1/C1130787-09-6 10441960O=S(=O)(CCCOC(=O)COC)c1cc2-THIOPHEMOMLLLAV 94 InChI=1/C1104438-05-3 10441973CC(C)COC(=O)Nc1ccc2nn(nc 2H-BENZOTDXGUNEY 121 InChI=1/C1130787-13-2 10442103O=C(COC(=O)c1ccccc1OC(C) BENZOIC ACFLVLUDPF 97.5 InChI=1/C1116482-80-5 10442170O=C(C)Oc1ccccc1C(=O)OCC(=BENZOIC ACRUTRPPHF 132.5 InChI=1/C1116482-78-1 10442178O=C(NP(=O)(N1CC1)N2CC2)NCTEPA 4-(PI JJMNXMOJ 143 InChI=1/C196662-66-7 10442316O=C(NP(=O)(N1CC1)N2CC2)NCTEPA 4-(N JYZLRPUS 177 InChI=1/C1103981-95-9 10442324O=C(Nc1ccc2nn(nc2c1)C3CCCBENZAMIDELHMJKAXW 165 InChI=1/C1130787-14-3 10442440CC(=O)CC(C1=C(O)c2ccccc2OWARFARINPJVWKTKQ 161 InChI=1/C181-81-2 10442445Cc2ccccc2C(=O)N(NC(=O)c1cc1-(2-METHAYLKNFWS 214.5 InChI=1/C1112226-78-5 10442472O=C(NN(C(=O)c1ccc(C)cc1)C(1-(4-METHPKJGMBAW 187.5 InChI=1/C1112226-56-9 10442473

O=C(c1ccccc1F)N(NC(=O)c2cc1-(2-FLUO KPBKAGVI 183.5 InChI=1/C1112226-76-3 10442499O=C(c1ccc(F)cc1)N(NC(=O)c2c1-(4-FLUO RUQDJAPQ 217.5 InChI=1/C1112225-85-1 10442500O=C(c1cc(F)ccc1)N(NC(=O)c2c1-(3-FLUO CIHRKYRF 176.5 InChI=1/C1112227-02-8 10442501COc1cc(ccc1OC)NC(=O)\C=C/2-PROPENADEOHUSDX 201 InChI=1/C1136944-22-4 10442517O=C(OCC)CNC(=O)C2=CN(CC)Nalidixic a VLVLFDRU 198.5 InChI=1/C1174814-96-1 10442546O=C(OC)C(C)NC(=O)C2=CN(CCNalidixic a TWPPTEVL 176 InChI=1/C1136050-74-3 10442547CC(=O)Oc2c1cc(C)ccc1c(OC( 1,4-NAPHTMXYXHORF 70.5 InChI=1/C191814-42-5 10442553O=C(C)Oc1ccccc1C(=O)OCC( BENZOIC ACXCEUBKDK 50.5 InChI=1/C1116482-75-8 10442585O=C(C)Oc1ccccc1C(=O)OCC(=BENZOIC ACWRGWFXXP 108.5 InChI=1/C1116482-76-9 10442586CC(=O)Oc2c1cc(F)ccc1c(OC( 1,4-NAPHTLXIDMOGR 102.5 InChI=1/C191814-12-9 10442590O=C(C)Oc1ccccc1C(=O)OCC( GLYCINE, NRENNXOTV 68.5 InChI=1/C1118247-03-3 10442604CN1CCN(CC1)C2=Nc4cc(Cl)ccCLOZAPINEQZUDBNBU 183.5 InChI=1/C15786-21-0 10442628O=C(c1ccccc1Cl)N(NC(=O)c2c1-(2-CHLO ZIXLQHZC 161.5 InChI=1/C1112226-58-1 10442648O=C(c1ccc(Cl)cc1)N(NC(=O)c21-(4-CHLO TVMCRIUX 212.5 InChI=1/C1112226-54-7 10442649O=C(c1cc(Cl)ccc1)N(NC(=O)c21-(3-CHLO SDQKSMPE 180.5 InChI=1/C1112225-83-9 10442650OC=2c1ccccc1S(=O)(=O)N(C) PIROXICA QYSPLQLAK 199 InChI=1/C136322-90-4 10442653Clc1ccc(cc1)/C(=N\CCCC(N)= PROGABIDIBALRBWG 134 InChI=1/C162666-20-0 10442693CC(=O)Oc1c(OC)c(OC)c(OC(C)1,4-NAPHTPJHOFYYO 133.5 InChI=1/C191814-10-7 10442711O=C(c1ccc(Br)cc1)N(NC(=O)c21-(4-BROMDNJKHMPI 228.5 InChI=1/C1112226-85-4 10442762O=C(c1cc(Br)ccc1)N(NC(=O)c21-(3-BROMYNEXGQJL 217.5 InChI=1/C1112427-09-5 10442763O=C(c1ccccc1Br)N(NC(=O)c2c1-(2-BROMVWUXTQIT 195.5 InChI=1/C1112249-32-8 10442764CC(=O)Oc2c1cc(Br)ccc1c(OC 1,4-NAPHTAFTXLFGF 102.5 InChI=1/C191814-13-0 10442778O=C(c1ccc(I)cc1)N(NC(=O)c2c1-(4-IODO HPEOMOXK 234.5 InChI=1/C1112427-73-3 10442792O=C(c1cc(I)ccc1)N(NC(=O)c2c1-(3-IODO DEVWCWNM 255.5 InChI=1/C1112427-40-4 10442793O=C(N(NC(=O)c1ccccc1)C(C)(1-(3-CYAN DYORMUXM 173.5 InChI=1/C1112426-69-4 10442817O=C(NN(C(=O)c1ccc(C#N)cc1)1-(4-CYAN NBDIWDHS 199.5 InChI=1/C1112426-62-7 10442818CCc2ccccc2C(=O)N(NC(=O)c1c1-(2-ETHY ZTRFLUQO 177.5 InChI=1/C2112427-41-5 10442843Cc1ccc(cc1C)C(=O)N(NC(=O)c1-(3,4-DI MDKXRWYZ 225.5 InChI=1/C2112412-44-9 10442844Cc2ccc(C)cc2C(=O)N(NC(=O)c1-(2,5-DimePWPGPYST 197.5 InChI=1/C2SRC001-96-9 10442845Cc2cc(C)ccc2C(=O)N(NC(=O)c1-(2,4-DimeZPKGYDKJ 195.5 InChI=1/C2SRC001-96-7 10442846O=C(c1cccc(C)c1C)N(NC(=O)c1-(2,3-DI DOJLHFWZ 204.5 InChI=1/C2112411-90-2 10442848COc1cc(ccc1)C(=O)N(NC(=O)c1-(3-METHAIYZAZLQA 188.5 InChI=1/C1112426-60-5 10442859COc2ccccc2C(=O)N(NC(=O)c1c1-(2-METHPUKQUTSJ 181.5 InChI=1/C1112226-77-4 10442860COc1ccc(cc1)C(=O)N(NC(=O)c1-(4-METHIRUOHBLPX 221.5 InChI=1/C1112226-92-3 10442861CC(=O)Oc2c1c(cccc1c(OC(C) 1-NAPHTHAQNKPIZZK 152.5 InChI=1/C191814-29-8 10442889CC(=O)Oc2c1cc(ccc1c(OC(C) 2-NAPHTHAUVWQMMXN 124.5 InChI=1/C191814-30-1 10442890O=C(c1c(F)cccc1F)N(NC(=O)c21-(2,6-DI VGCIDFBBJ 194.5 InChI=1/C1112226-86-5 10442925CC(=O)Oc2c1c(cccc1c(OC(C) 1,4-NAPHTYWIOABAR 69.5 InChI=1/C191814-24-3 10442945CC(=O)Oc2c1cc(ccc1c(OC(C) 1,4-NAPHTKJWIGXLV 77.5 InChI=1/C191814-40-3 10442946O=C(C)Oc1ccccc1C(=O)OCC( BENZOIC ACZEMRQSGE 47.5 InChI=1/C1116482-77-0 10442971Clc1ccc(cc1)C(=O)Nc2ccc3nnBENZAMIDECPJIPEMKP 180 InChI=1/C1130787-15-4 10442999CSc2ccccc2C(=O)N(NC(=O)c1c1-(2-METHNWSGVTLA 196.5 InChI=1/C1112226-95-6 10443012Clc1ccc(cc1)C(CC(C)=O)C2=C COUMACHDEKWZWCF 169 InChI=1/C181-82-3 10443016Cc1c(cccc1Cl)C(=O)N(NC(=O)c1-(3-CHLO DYKRMPVJ 213.5 InChI=1/C1112426-81-0 10443027O=C(c1c(F)cccc1Cl)N(NC(=O)c1-(2-ChloroGFDZBUOE 209.5 InChI=1/C1SRC001-97-0 10443056

Clc1ccc(cc1Cl)C(=O)N(NC(=O)1-(3,4-DI HOMNKNDC 238.5 InChI=1/C1112226-22-9 10443097O=C(c1c(Cl)cccc1Cl)N(NC(=O)1-(2,6-DI LRNPWHAI 198.5 InChI=1/C1112426-71-8 10443099Clc1c(cccc1Cl)C(=O)N(NC(=O)1-(2,3-DI YHZYRHLQ 209.5 InChI=1/C1112426-76-3 10443100[O-][N+](=O)c2cc(cc(Cl)c2Nc1N(24-NO2-KGJBITVR 134 InChI=1/C1142978-29-8 10443113O=[N+]([O-])c1cc(ccc1)C(=O)1-(3-NITR FXGHJTZV 222.5 InChI=1/C1112226-82-1 10443211O=[N+]([O-])c2ccccc2C(=O)N1-(2-NITR LXCJEBDJF 181.5 InChI=1/C1112225-86-2 10443212O=[N+]([O-])c1ccc(cc1)C(=O)1-(4-NITR FLFIIAUKA 250.5 InChI=1/C167523-85-7 10443213COc1cc(ccc1OC)CCNC(=O)\C=2-PROPENAWWELEILT 99 InChI=1/C1136944-24-6 10443234O=C(OC)C(NC(=O)C2=CN(CC)cNalidixic a VZAGYFBU 155 InChI=1/C1174814-97-2 10443258CCCCCCN(CCCCCC)C(=O)COC(Acetamide,UBQTZLZG 162.5 InChI=1/C2SRC001-86-6 10443283Cc1ccc(cc1)S(=O)(=O)Nc2cc BENZENESUWRQRPPQY 126 InChI=1/C1130787-22-3 10443322Nc1ccc(cc1)S(=O)(=O)Nc2cc 2H-BENZOTQUAKPHGC 207 InChI=1/C1130787-24-5 10443323CC(C)(C)c1ccc(cc1)CSC(\SCC BUTHIOBAZZVVDIVW 32 InChI=1/C251308-54-4 10443365Clc1ccc(cc1Cl)C(=O)Nc2ccc3 BENZAMIDEXSNQXSHP 207 InChI=1/C1130787-19-8 10443368FC(F)(F)c2cc(cc(c2Nc1ncc(Cl)N(2,4-NO2-QTWWLLDG 105 InChI=1/C178879-25-1 10443382[O-][N+](=O)c2cc(cc(Cl)c2Nc1N(24-NO2-WSAJKSBD 126 InChI=1/C1142978-30-1 10443383O=C(NC3CCN(CCc1cc2ccccc2nIndoramin AQMJLQQD 209 InChI=1/C226844-12-2 10443415[O-][N+](=O)c1ccc(cc1)C(=O BENZAMIDEBDRVEZQN 227.5 InChI=1/C1130787-18-7 10443427[O-][N+](=O)c1ccc(cc1)C(CC ACENOCOUVABCILAO 197 InChI=1/C1152-72-7 10443441COc1cc(ccc1OC)C(=O)N(NC(=O1-(3,4-DI VNKFMSFU 205.5 InChI=1/C2112427-66-4 10443471O=C(OC)C(NC(=O)C2=CN(CC)cNalidixic a NJJUOZMD 142 InChI=1/C1174814-95-0 10443488CC(C)C(=O)Oc2c1ccccc1c(OC1,4-NAPHTORTAHIQG 95.5 InChI=1/C291814-58-3 10443494FC(F)(F)c1ccc(cc1)C(=O)N(NC1-(4-TRIF QFHRUWGP 228.5 InChI=1/C1112426-65-0 10443532FC(F)(F)c1cccc(c1)C(=O)N(NC1-(3-TRIF VPYBTDAJL 203.5 InChI=1/C1112426-66-1 10443533FC(F)(F)c2ccccc2C(=O)N(NC(=1-(2-TRIF BHSQODKU 172.5 InChI=1/C1112426-67-2 10443534Fc1c(cc(F)c(F)c1F)C(=O)N(NC1-(2,3,4,5- DERDGVKH 158.5 InChI=1/C1SRC001-97-1 10443558CC3(C)CN3P(=O)(NC(=O)NC1CTEPA 4-(PI XJDRHDRK 179 InChI=1/C1103981-97-1 10443614CC3(C)CN3P(=O)(NC(=O)NC1CTEPA 4-(N WCJHDPCE 202.5 InChI=1/C1103981-96-0 10443620Oc4ccc1ccccc1c4/N=N/c3ccc2-NaphthaleFHNINJWB 195 InChI=1/C285-86-9 10443663FC(F)(F)c1ccc(cc1)C(=O)Nc2 BENZAMIDEBWQTYRSZ 215.5 InChI=1/C1130787-17-6 10443752Fc1c(c(F)c(F)c(F)c1F)C(=O)N BENZOIC ACSZANKBFLR 200.5 InChI=1/C1112411-06-0 10443818[O-][N+](=O)c1ccc(cc1)S(=O 2H-BENZOTJTOFCCOZ 194 InChI=1/C1130787-23-4 10443828CC3(C)CN3P(=O)(NC(=O)NC1CTEPA 4-(N-SIQWAYAQ 193 InChI=1/C1103981-94-8 10443850FC(F)(F)c2cc(cc(c2Nc1ncc(cc1N(24-NO2-GDZVNVMU 98 InChI=1/C1142978-32-3 10443851CC(C)(C)C(=O)Oc2c1ccccc1c( PROPANOICZILFDUWC 179 InChI=1/C291814-09-4 10443938O=C(O)C(CCc1ccccc1)NC(C)CCYCLOPENTKEDYTOTW 109 InChI=1/C287269-97-4 10443939FC(F)(F)c2cc(cc(c2Nc1nc(C)c N(24-NO2-RWGBEAQB 125 InChI=1/C1132133-10-9 10443969COc1cc(cc(OC)c1OC)C(=O)NcBENZAMIDEKEFZQVHO 129 InChI=1/C2130787-20-1 10444050OC=1c4ccccc4OC(=O)C=1C(CEthyl bisc JCLHQFUT 154 InChI=1/C2548-00-5 10444159CCCC(=O)OCC(=O)C4(O)CCC3HYDROCORTYZNQMPPB 218.5 InChI=1/C213609-67-1 10444306Brc1ccc(cc1)c2ccc(cc2)C4Cc Brodifaco VEUZZDOC 230 InChI=1/C356073-10-0 10444663

Tomlin 2003 OC3C(C)=CC4C(=O)OC1CC(OCMilbemectiZLBGSRMU 213.5 InChI=1/C351596-10-2 10444762OC3C(C)=CC4C(=O)OC1CC(OCMilbemectiVOZIAWLU 213.5 InChI=1/C351596-11-3 10444793CCC(=O)OC1(C)CC(OC(C)C1OROKITAMYVYWWNRMS 116 InChI=1/C474014-51-0 10445151Oc2ccc(/N=N/c1ccc(cc1)[N+](4-(4-NITR NRJPVIOTA 216 InChI=1/C11435-60-5 10447013

n2c3cc5nc(cc4ccc(cc1C=Cc(n21H,23H-PRKCAIXNGY 360 InChI=1/C2101-60-0 10447586O=P(O)c1ccccc1 PhenylphosMLCHBQKM 84 InChI=1/C61779-48-2 10449255O=P(OCc1ccccc1)OCc2ccccc2Dibenzyl P MIBXHGZA -5 InChI=1/C117176-77-1 10449934CC(C)(C)OP(=O)O T-BUTYLP VZOUAJWE 192 InChI=1/C44923-84-6 10449952O=P(Oc1ccccc1)Oc2ccccc2 Phosphonic OGBPILLJZ 12 InChI=1/C14712-55-4 10449956CP(=O)O METHYLPHOBCDIWLCK -40.01 InChI=1/CH4206-94-4 10450135C\C(=N\O)C(/C)=N\O DIMETHYL JGUQDUKB 245.5 InChI=1/C495-45-4 10466342C/C(=N\O)C(\CC)=N\O 2,3-PentanAACZKKTX 172.5 InChI=1/C54775-86-4 10466745Oc2ccc(C)cc2/N=N/c1ccccc1 4-METHYL-NJOXSODF 108.5 InChI=1/C1952-47-6 10466802Oc2cc(O)ccc2/N=N/c1ccccc12,4-Dihydr BPTKLSBRR 170 InChI=1/C12051-85-6 10466804Oc1c(O)c(Br)c(C(=O)O)c(Br)c Benzoic aciRZMMKKHH 150 InChI=1/C7602-92-6 10467245OCC(=O)[C@H]4CCC2C5CCC1ALDOSTER QUQBHBRV 166.5 InChI=1/C252-39-1 10468436

CRC Oc1ccc2CC4[N@@](C)CC[C MORPHINEBQJCRHHN 255 InChI=1/C157-27-2 10468442NC(=O)C1=C(O)[C@@H](N(C)AUREOMYCCYDMQBQP 168.5 InChI=1/C257-62-5 10468443CC(C)CCCC(C)[C@H]2CC[C@ CHOLESTE HVYWMOML 148.5 InChI=1/C257-88-5 10468445O=S(=O)(OC)ON(C)(C)(C)C(C)ThiazinamiIYLSYVITT 208 InChI=1/C158-34-4 10468446O=C(CCC)OC(OC(=O)CCC)(OCTRIBUTYRI LXBMSTUL -75 InChI=1/C160-01-5 10468450COc1ccc2C[C@H]4N(C)CC[C CODEINE OROGSEYT 157.5 InChI=1/C176-57-3 10468461

Merck Index (aNC(OC)(OC)OC AMINOTRIPBGSUCPT 171.5 InChI=1/C477-86-1 10468462NC(=O)C=3C(=O)[C@@]4(O)COXYTETRACIWVCMVBT 184.5 InChI=1/C279-57-2 10468463O=C3c1ccccc1C(=O)c2c3ccccDISPERSE RRFMILFSLZ 171 InChI=1/C182-38-2 10468464Oc1ccc(cc1)C(C=C)C(C=C)c2cDienestrol UBEHJDYYB 227.5 InChI=1/C184-17-3 10468466Cc1ccc2c(c1)NC(=O)NC2=O 7-METHYL OLOBNXMP 300 InChI=1/C986-96-4 10468467O[C@@H]1C(O)C(O)[C@@H]INOSITOL CDAISMWE 225 InChI=1/C687-89-8 10468468IC2CCCC1CCCCC12 1-IODONA FBCFYDPJ 4.2 InChI=1/C190-14-2 10468470CCC(CC)C(=O)OCCOCCOCCC(TRIETHYLEFSCXTSFGX -10 InChI=1/C195-08-9 10468473Cc2ccccc2/N=N\c1ccc(N)cc1 o-AminoazKDDUERRS 102 InChI=1/C197-56-3 10468476COC=1C=CC3[C@H]2Cc5ccc(PARAMORPMHMVAENB 193 InChI=1/C1115-37-7 10468480COC1CCC2CC3C4C=CC(O)C5OCodeine MeMIBKATAU 260 InChI=1/C1125-27-9 10468487OC2[C@H](O)C(COc1ccccc1 SALICIN VHODMWA 207 InChI=1/C1138-52-3 10468496OCC(=O)C4C(C)CC3C2CC(F)C Fluocortol GAKMQHDJ 188 InChI=1/C2152-97-6 10468502OC5C(O)C(COCC4OCC(OC2=C(ORutin VWUSIRVV 125 InChI=1/C2153-18-4 10468503

LEAD ACETNJJJCKUB 327.4 InChI=1/2C301-04-2 10468506CC(=O)O[C@]25[C@@H]6C1[ACONITINEXFSBVAOI 204 InChI=1/C3302-27-2 10468507

CRC (2007) CN(C)CC(C)C(C(OC(=O)CC)c1cPROPOXYPNSGLCIZBD 75.5 InChI=1/C2469-62-5 10468519OC3C(O)[C@@H](O)C(CO)O[RAFFINOSEMUPFEKGT 80 InChI=1/C1512-69-6 10468537CC(C)NC(O)/C=C/Oc2cccc1ccPROPRANOGDMGWQHL 96 InChI=1/C1525-66-6 10468540

Merck CC(=O)Oc1ccc2C[C@H]4[N@HEROIN GVGLGOZI 173 InChI=1/C2561-27-3 10468561COc1cc(cc(OC)c1OC)C2c4cc alpha-PeltaYFCJXBMX 236 InChI=1/C2568-53-6 10468562OC1C(OCC(O)C(O)C(O)C(O)C Lactitol MWYIQPDF 146 InChI=1/C1585-86-4 10468565BrC(Br)(Br)C(N)=O Acetamide,ORCCSQMJ 121.5 InChI=1/C2594-47-8 10468568OC(=O)c1nccc(c1C(=O)O)C(= 2,3,4-PyridVOTYOVOS 250 InChI=1/C8632-95-1 10468577O=C5NC(=O)C4C\1C(=CC(C/1=CNORBORMIDNTHHIVFN 194 InChI=1/C3991-42-4 10468605CSc1nc(nc(n1)N(C)C)N(C)C SIMETRYN PRLMFHYB 82.5 InChI=1/C81014-70-6 10468606CCC(=O)C(CC(C)N(C)(C)Cl)(c1MethadoneRLDVEAWA 235 InChI=1/C21095-90-5 10468607

Cc1ccc(cc1)OP(=O)(Oc2cc(C) TRICRESYL FSNFYCPCX -33 InChI=1/C21330-78-5 10468621CCC(O)C(O)C(C)C(C)C(C)C(C) TETRAMETHPTAFAJGJ 37.5 InChI=1/C11333-17-1 10468623O\N=C\C(\C)=N\O Propanal, KFTHGQZJ 157 InChI=1/C31804-15-5 10468643Clc1cc(Cl)ccc1C(/OP(=O)(OC)PHOSPHORIQSGNQELH 69.5 InChI=1/C12274-67-1 10468652O=C(OCC)C(Cc2cnc1ccccc12)L-TRYPTOPLYXGYFZZ 106 InChI=1/C12382-80-1 10468654Oc2ccc(C)cc2/N=N/c1ccc(NC(4'-((6-HY PXOZAFXVE 195 InChI=1/C12832-40-8 10468668Cc4cccc(C)c4NC(=O)CN3CCN(CLIDOFLAZI IZIJRSQAP 160 InChI=1/C23416-26-0 10468684OCC32CC5CC4CC(C3N(C)c1ccAJMALINE WMODWBF 206 InChI=1/C2 12/7/4360 10468704OC=1c4ccccc4OC(=O)C=1C3CEndrocide ULSLJYXHZ 172 InChI=1/C15836-29-3 10468736Oc4ccc(\N=N/c3ccc(\N=N/c1cC.I. DISPE FWTBRYBH 210.5 InChI=1/C2 10/7/6253 10468749

CALCIUM HHFYZRFVM 100 InChI=1/Ca7778-54-3 10468786SILVER PE YHJBVAOQ -6.15 InChI=1/Ag.7783-93-9 10468788

COP(=O)(OC)OC\C=C(/Cl)C(= PHOSPHAMRWXKUYSK -45 InChI=1/C113171-21-6 10468810Brc1cc(cc(Br)c1O)\C=N\Oc2ccBROMOFENXTFNPKDYC 196.5 InChI=1/C113181-17-4 10468811CCOP(=S)(O\N=C(\C#N)c1cccPHOXIM ATROHALU 6.1 InChI=1/C114816-18-3 10468827COP(=O)(OC)O\C=C(\C)C(=O)MevinphosYCFPRPBA 13.95 InChI=1/C726718-65-0 10468958Brc1ccc(cc1)c2ccc(cc2)CC(O BROMADIOFSZQLRRU 205 InChI=1/C328772-56-7 10468969Nc1ccc(cc1)C(=O)OCCCCCCC BENZOIC AKKGIDNSP 69 InChI=1/C137139-21-2 10469012FC(F)(F)/N=C/2\S\C(=N\c1cccFlubenzimiIZFZCMFMJ 118 InChI=1/C137893-02-0 10469017

Tomlin, CDS (2CCOP(=O)O[Al](OP(=O)OCC) Fosetyl-al ZKZMJOFI 215 InChI=1/3C39148-24-8 10469027OCCN(CCO)c2ccc(/N=N\c1ccc(DIS. A. 1 DYGLYJSNA 190 InChI=1/C141541-13-3 10469037OC=1c6ccccc6OC(=O)C=1C3CCDIFENACO FVQITOLO 216 InChI=1/C356073-07-5 10469075Cc2cc(C)c(\N=C1\SC=CN1C)cTifatol YUAUPYJC 44 InChI=1/C161676-87-7 10469097O=S(=O)(OCC)c2cccc1OCC(C)BENFURESHBXWAITU 30.1 InChI=1/C168505-69-1 10469126O=C(OC)c1ccc(C)cc1C2NC(=O)BENZOIC AKFSPZZNE 113 InChI=1/C169969-22-8 10469133O=C(OC)c1cc(C)ccc1C2NC(=O)BENZOIC ALOILKPOWX 113 InChI=1/C169969-62-6 10469134Clc2c(NC(=O)c1ccc(OCOCC)ccEtobenzaniICWUMLXQ 92.5 InChI=1/C179540-50-4 10469180CC/C(=N\OCC)C1=C(O)CC(CC1Tralkoxydi DQFPEYARZ 106 InChI=1/C287820-88-0 10469196

Merck Index (aClc1ccc(cc1)C(CCC)(Cn2cncn MYCLOBUTMXHYIOHDK 65.5 InChI=1/C188671-89-0 10469202Cc2ccccc2C(\C)=N\Nc1nc(C)cFerimzoneGOWLARCW 175.5 InChI=1/C189269-64-7 10469206

Tomlin CDS (2 FC(F)(F)c1ccc(cc1)COc2ccc( FlocoumafKKBGNYHH 167.2 InChI=1/C390035-08-8 10469214O=C(OCC)c1ccccc1S(=O)(=O)CHLORIMUMBDMKWJE 181 InChI=1/C190982-32-4 10469226FC(F)(F)c3ccccc3C2=C(NC)OCFLURTAMOSHQCEWNC 152.5 InChI=1/C196525-23-4 10469259O=S(=O)(NC(=O)Nc1nc(OC)ccHALOSULFAXWKCWDG 176 InChI=1/C1100784-20-1 10469285CC1(C)C(C1\C=C/C(=O)OC(C(F)ACRINATHRYLFSVIMM 81.5 InChI=1/C2101007-06-1 10469290

Tomlin CDS (2 CCC/C(=N\OCC)C=1C(=O)CC(CycloxydimGGWHBJGB 41 InChI=1/C1101205-02-1 10469292O=C1CC(CC(=O)/C1=C(/O)C2 TRINEXAPADFFWZNDC 144.4 InChI=1/C1104273-73-6 10469309Brc1ccc(cc1)c2ccc(cc2)C4Cc DifethialonJHELOZJAK 234.5 InChI=1/C3104653-34-1 10469311NS(=O)(=O)c1cc2CCCS(=O)(= 4H-THIENOVVSSGCCP 200 InChI=1/C7105951-71-1 10469314[O-][N+](=O)OCC1OC(OCCC)C( YCIKJWUX 199 InChI=1/C9108018-38-8 10469321[O-][N+](=O)OCC1OC(OCCCC)C PQAUOQAR 199 InChI=1/C1110056-75-2 10469328CN(OC)C(=O)Nc1ccc(cc1)Oc2cMetobenzuBXKKQFGR 102 InChI=1/C2111578-32-6 10469330CCOC1OC(CO[N+]([O-])=O)C(O QYPGRKSZ 199 InChI=1/C8117608-69-2 10469338Clc2c(NC(CC)c1ccc(OC(F)F)ccDIFLUMET NEKULYKC 47.3 InChI=1/C1130339-07-0 10469357CCCC(=O)c1c(C)c(c(C)cc1C)C BUTROXYDZOGDSYNX 80.8 InChI=1/C2138164-12-2 10469362

Glucopyranoside, propyl, tetranitrate, -D-Glucopyranoside, butyl, tetranitrate, -D-

Glucopyranoside, ethyl, tetranitrate, -D-

O=C1C(=C(C)OCN1C(C)(C)c2cc(OXAZICLO FCOHEOSC 150 InChI=1/C2153197-14-9 10469364Brc2cc(cc(c2/N=N/c1cc(OC)cD5-azo DyeOLFZCOCOF 132 InChI=1/C2SRC003-67-4 10469508Oc3cc(OC1C=CC(=CC1)N2CCCD6-AnthrqFXFBOTYE 164 InChI=1/C2SRC003-67-5 10469509IC(I)C(=O)O DiiodoacetiBQAMFNQV 110 InChI=1/C2598-89-0 10472789Cl[C@H]1[C@H](Cl)[C@H](ClDELTA-HE JLYXXMFP 141.5 InChI=1/C6319-86-8 10481896Cl[C@H]1[C@H](Cl)[C@H](ClALPHA-HE JLYXXMFP 159.5 InChI=1/C6319-84-6 10481896Cl[C@H]1[C@H](Cl)[C@H](ClBETA-HEX JLYXXMFP 314.5 InChI=1/C6319-85-7 10481896O=C(N)c1ncnc1/N=N/N(C)C IMIDAZOL-FDKXTQMX 205 InChI=1/C6 3/4/4342 10481959O=C(OC)N\N=C\c2c[n+]([O-])Carbadox OVGGLBAW 240 InChI=1/C1 7/5/6804 10606106Oc1cc(O)cc2C=CCCCC(=O)CCZearalenonMBMQEIFV 164.5 InChI=1/C117924-92-4 10606251CC2(C)CCC=C(C)C2/C=CC(\C) alpha-CaroANVAOWXL 187.5 InChI=1/C47488-99-5 10606442

CRC (2008) OC=1C(=O)OC(C(O)COC(=O) Ascorbyl p QAQJMLQR 112 InChI=1/C2137-66-6 10606454Oc2cc(ccc2/C=C/c1ccc(cc1)CHydroxystiTUESWZZJY 235 InChI=1/C1495-99-8 10612853c1cccc2OBOc12 1,3,2-BenzCENMEJUY 12 InChI=1/C6274-07-7 10617125O=C(OCCCC)C(=O)C4C(C)CC3Fluocortin XWTIDFOG 195.1 InChI=1/C241767-29-7 10618564

Tomlin (2003) C\C=C(/C)C(=O)OC7CC(OC(C AzadirachtFTNJWQUO 156.5 InChI=1/C311141-17-6 10619174Merck (avg) CC(=O)OC2(C#C)CCC1C3CCC NorgestimaKIQQMECN 216 InChI=1/C235189-28-7 10619295

Clc1ccc(cc1)C2CCC(CC2)C=4 AtovaquonKUCQYCKV 217.5 InChI=1/C295233-18-4 10619298[O-][N+](=O)c2cccc1c2cccc1C1-Chloro-5ASXDLWJN 111 InChI=1/C1605-63-0 10621904

Merck Index (2CN(C)C5CC(C)OC(OC3C(C)C(=TelithromyLJVAJPDWB 187.5 InChI=1/C4191114-48-4 10628581OC(=O)C(N)COC(=O)/C=[N+]=AZASERINEMZZGOOYM 154 InChI=1/C5115-02-6 10633647CC3(C)CC(O)CC4(C)OC34/C=CViolaxanthSZCBXWMU 208 InChI=1/C4126-29-4 10644731CC(C)CCCC(C)CCCC(C)CCCC(/Vitamin K1MBWXNTAX -20 InChI=1/C384-80-0 10645804CBC DIMETHYL GMLFPSKP -72.5 InChI=1/C27216-97-9 10645856CCBCC DIETHYLB FAFYLCKQP -56.3 InChI=1/C45518-25-2 10645859OCC(=O)C4C(C)CC3C2CC(F)C1DiflucortolOGPWIDAN 242 InChI=1/C2 6/9/2607 10662365

Merck Index CC(O)C(CC)N1N=CN(C1=O)c2cPosaconazoRAGOYPUP 171 InChI=1/C3171228-49-2 10662366O=C2C=C3CCC1C4CCC(C)(O)CFormeboloAMVODTGM 210.5 InChI=1/C2 11/7/2454 10669812OC=3C(=O)CCC2C4CCC1(C)C OxaboloneGXHBCWCM 189 InChI=1/C14721-69-1 10669828CC2(O)CCC1C3CCC4Cc5noncFurazabol RGLLOUBX 152.5 InChI=1/C21239-29-8 10669845

ChemFinder OnCCOCCCCCCCCC C9-11 PareBCHGIXRC -20 InChI=1/C168439-46-3 10669981O=C4c3ccc(OC2OC(COC1OCC(RuberythriGCGGSVAW 260 InChI=1/C2152-84-1 10701795Oc2ccccc2/N=N/c1ccccc1O Phenol, 2,2JFEVWPNA 173 InChI=1/C12050-14-8 10725475O=C(O)C1OC(OCC(Cl)(Cl)Cl)C UrochloraliIQOASJJG 142 InChI=1/C897-25-6 10725686CN(C)C2CC(C)OC(OC1C(C)CC(MethymyciHUKYPYXO 196 InChI=1/C2497-72-3 10761144O\N=C(/C(=N/O)c1ccccc1)c2cBenzil Dio JJZONEUC 240 InChI=1/C123873-81-6 10761241O=C2c1ccccc1C(=O)C(O)=C2 1,4-NAPHTBVQUETZB 282 InChI=1/C1605-37-8 10764173C/C(C)=C\CC=2C(=O)c1ccccc Lapachol CIEYTVIYY 139.5 InChI=1/C184-79-7 10770962O=C(O)CCCCCCCCC=C UNDECYLENFRPZMMHW 24.5 InChI=1/C1112-38-9 10771160ClC(Cl)C(=O)O DICHLOROAJXTHNDFM 13.5 InChI=1/C279-43-6 10771217ClC(Cl)(Cl)C(=O)O TRICHLOROYNJBWRMU 57.5 InChI=1/C276-03-9 10772050

Merck Index ClCC(=O)O CHLOROACEFOCAUTSV 63 InChI=1/C279-11-8 10772140BN(C)(C)C BORINE TRQBRFPKRU 94 InChI=1/C375-22-9 10774324O=C3C=C2C(=C(O)C(=O)C=1OCFuscin OSJKAGRX 230 InChI=1/C183-85-2 10774524O=C(O)c1cc2ccccc2o1 2-BENZOFUOFFSPAZV 192.5 InChI=1/C9496-41-3 10778469

BrC(C)(C)C(=O)O Propanoic XXSPGBOG 48.5 InChI=1/C4 1/9/2052 10790335ClC(F)(F)C(=O)O Acetic acidOAWAZQIT 25 InChI=1/C276-04-0 10800462OC(=O)c1cc(Cl)ccc1Cl 2,5-DICHL QVTQYSFC 154.4 InChI=1/C750-79-3 10801689O=C(CCCCC(=O)O)OCC HEXANEDIOUZNLHJCCG 29 InChI=1/C8626-86-8 10807625OC(=O)C(=C)c1ccccc1 Atropic aciONPJWQSD 106.5 InChI=1/C9492-38-6 10816467O=[N+]([O-])c1ccccc1C(N)=O2-NITROBEKLGQWSOY 176.6 InChI=1/C7610-15-1 11178542O=[N+]([O-])c1cc(ccc1)C(N)= M-NITROBKWAYEPXD 142.7 InChI=1/C7645-09-0 11202219CC3(O)CCC2C4CC=C1C=C(CC 17a-TestosZUBDXGHK 150 InChI=1/C267-81-2 11224247Clc1ccc(s1)C(CC(O)c2ccc(Cl TioclomaroWRGOVNKN 104 InChI=1/C222619-35-8 11236578O=C(Nc1ccccc1)C[N+]([O-])= ACETAMIDEJFPJVTNYC 94 InChI=1/C810151-95-8 11279086BrC(Cl)C(=O)O DL-BROMOGEHJBWKLJ 31.5 InChI=1/C25589-96-8 11307583O=C(C)Nc1cc(C)ccc1 3-METHYLAALMHSXDY 65.5 InChI=1/C9537-92-8 11332993CC(=O)CC(C1=C(O)c2ccccc2OCOUMAFURJFIXKFSJC 124 InChI=1/C1117-52-2 11338519Oc2cc(O)ccc2/N=N/c1ccc(cc11,3-BenzeneNGPGYVQZ 200 InChI=1/C174-39-5 11341372SC(=S)c1ccccc1O DithiosalicyAJQLEJAV 49 InChI=1/C7527-89-9 11458117Oc1cc(Br)cc(Cl)c1 3-Bromo-5-GMGWXLPF 70 InChI=1/C656962-04-0 11500604Cc1cc(Br)cc(O)c1 3-Bromo-5OTUYBYTU 56.5 InChI=1/C774204-00-5 11500605Clc1cc2nc(Cl)ccc2cc1 2,7-Dichlo VOGBOMUO 120 InChI=1/C9613-77-4 11507444

ALDRICH (2000) 1-ButanaminFNDHFMKG 117 InChI=1/C11941-27-1 11588081Oc1ccccc1c2nnco2 FenadiazolOINXXHYEN 111.5 InChI=1/C81008-65-7 11595729CC54CCC2C(CCc3cc(OC1CCCCQuinestradODYKCPYP 99 InChI=1/C21169-79-5 11644434OC2=C(C(=O)c1ccccc1C2=O) ParvaquonJBFUOGRC 135.5 InChI=1/C14042-30-2 11644633

CRC Cc1cc(ccc1)[Si](Cl)(Cl)Cl Silane, tri ZVTYRRCQY -26 InChI=1/C713688-75-0 11665582O=C2c1ccccc1C(=O)C(Cl)=C2 1,4-NAPHTFIGWNRLK 216.5 InChI=1/C11526-73-4 12997403

Aldrich (2000) Oc2ccccc2/C=N/CC\N=C/c1c Salen VEUMANXW 127.5 InChI=1/C194-93-9 13007376ClC(Cl)(F)I Dichlorofl GOKDNAMG -107 InChI=1/CC420-48-4 13221492CCC(CC)(CC)OO 3-Ethyl-3- VFILJTWG 2.5 InChI=1/C718428-34-7 13222596CC(C)C(C)/C=C/C(C)C2CCC1 DehydroergQSVJYFLQ 146 InChI=1/C2516-85-8 13226527O=C(O)c1c(I)c(NCC(C)=O)c(I) Metrizoic AAZPSAEXT 281.5 InChI=1/C11949-45-7 13282833CC(C)CC(=O)C1=C(O)C(C\C=C(Lupulon WPVSVIXD 93 InChI=1/C2468-28-0 13433819Cc1ncc([N+]([O-])=O)n1C(O) METRONIDVUANVTIM 160.5 InChI=1/C6443-48-1 13490018Fc1ccc(cc1)\C(=C(/Cl)Cl)c2cccDFDD AAAGBKHM 77 InChI=1/C1603-55-4 13597790O=C2C(Cl)CC1C3CCc4cc(OC) Clomestro UQIPVSBP 179.5 InChI=1/C14091-75-2 13598431Cc3ccc(/N=N/c1c2ccccc2ccc1C.I. SOLVE JBTHDAVB 166 InChI=1/C13118-97-6 13621577OCC(O)C(=C)C(=O)OC1CC(C) Cnicin ZTDFZLVUI 143 InChI=1/C224394-09-0 13625278Cc1cc(C)c(O)cc1O 4,6-DIMETIYDQSPIO 126.5 InChI=1/C8615-89-4 13675391O=C(CCCCC(=O)OCC)OCC DIETHYLHEVIZORQUEI -19.8 InChI=1/C1141-28-6 13835108O=C(C)c1ccc(Cl)cc1 1-(4-CHLO BUZYGTVT 20 InChI=1/C899-91-2 13835126

CRC (2007) Cc1ccc(N)cc1 P-TOLUIDI RZXMPPFP 43.6 InChI=1/C7106-49-0 13835151ALDRICH (2000Cc1ccc(N)cc1 BenzenaminRZXMPPFP 244 InChI=1/C7540-23-8 13835151

Nc1ccc(N)cc1 1,4-BENZE CBCKQZAA 146 InChI=1/C6106-50-3 13835179NIOSH ICSC 03Nc1ccc(N)cc1 1,4-DiaminCBCKQZAA 275 InChI=1/C6624-18-0 13835179

OCCOCCO DIETHYLENMTHSVFCY -10.4 InChI=1/C4111-46-6 13835180CRC HandbookOCCCCO 1,4-BUTANWERYXYBD 20.4 InChI=1/C4110-63-4 13835209

COCCOCCOCCOC 2,5,8,11- YFNKIDBQE -45 InChI=1/C8112-49-2 13835222

CRC (2007) CC(O)CO 1,2-PROPADNIAPMSP -60 InChI=1/C357-55-6 13835224OCCO ETHYLENE LYCAIKOW -13 InChI=1/C2107-21-1 13835235CC(C)(CO)CO 1,3-PropaneSLCVBVWX 130 InChI=1/C5126-30-7 13835293

Merck (2001) O=C2c1ccccc1C(=O)c3ccccc2ANTHRAQURZVHIXYE 286 InChI=1/C184-65-1 13835294CC(C)(C)c1cc(C)cc(c1O)C(C)(C2,6-DI-T- NLZUEZXR 71 InChI=1/C1128-37-0 13835296

Merck Index (2C=C(Cl)Cl 1,1-DICHL LGXVIGDE -122.5 InChI=1/C275-35-4 13835316Merck 2001 NCCO ETHANOLAHZAXFHJV 10.3 InChI=1/C 141-43-5 13835336

COc1ccc(cc1)C(C)=O P-METHOXNTPLXRHD 38.5 InChI=1/C9100-06-1 13835344O=C=N\c1cc(ccc1C)\N=C=O TOLUENE DIDVKJHBMW 20 InChI=1/C91321-38-6 13835351O=C=N\c1cc(ccc1C)\N=C=O 2,4/2,6-T DVKJHBMW 20 InChI=1/C926471-62-5 13835351O=C=N/c1cc(ccc1C)\N=C=O 2,4-TOLUEDVKJHBMW 20.5 InChI=1/C9584-84-9 13835351

CRC CCOCCOCC 1,2-DIETH LZDKZFUF -74 InChI=1/C6629-14-1 13835376NCCNCCN DIETHYLENRPNUMPOL -39 InChI=1/C4111-40-0 13835401

Merck Index C1CNCCN1 PIPERAZINGLUUGHFH 106 InChI=1/C4110-85-0 13835459NCCN 1,2-DIAMI PIICEJLVQ 11.1 InChI=1/C2107-15-3 13835550

CRC HandbookOc1cccc(O)c1O 1,2,3-TRI WQGWDDDV 133 InChI=1/C687-66-1 13835557NCCCCCCN HEXAMETHNAQMVNRV 41.5 InChI=1/C6124-09-4 13835579OCCNCCO DIETHANOZBCBWPMO 28 InChI=1/C4111-42-2 13835604OCCN(CCO)CCO TRIETHAN GSEJCLTVZ 20.5 InChI=1/C6102-71-6 13835630O=C(C)OC(COC(C)=O)COC(=OTRIACETINURAYPUMN 78 InChI=1/C9102-76-1 13835706Cc1ccccc1O O-CRESOL QWVGKYWN 29.8 InChI=1/C795-48-7 13835772CC(OCC)OCC 1,1-DIETH DHKHKXVY -100 InChI=1/C6105-57-7 13835836CC(C)(N)CO 2-AMINO-2CBTVGIZV 25.5 InChI=1/C4124-68-5 13835861

Lide OCCOCCOCCO TRIETHYLEZIBGPFAT -7 InChI=1/C6112-27-6 13835895OCC(O)C(O)CO ERYTHRITOUNXHWFMM 121.5 InChI=1/C4149-32-6 13835932C=CCN ALLYLAMINVVJKKWFA -88.2 InChI=1/C3107-11-9 13835977CNCCO 2-(METHY OPKOKAMJ -4.5 InChI=1/C3109-83-1 13836021Nc1cccc(N)c1 1,3-BENZE WZCQRUW 63.5 InChI=1/C6108-45-2 13836283CCCCOCCO 2-BUTOXY POAOYUHQ -74.8 InChI=1/C6111-76-2 13836399FC(F)(N(C(F)(F)C(F)(F)C(F)(F)F1-PropanamJAJLKEVKN -52 InChI=1/C9338-83-0 13836500FC(F)(N(C(F)(F)C(F)(F)C(F)(F)CHEPTACOSRVZRBWKZ -50 InChI=1/C1311-89-7 13836523

Hawley C=C(F)F 1,1-DIFLU BQCIDUSA -144 InChI=1/C275-38-7 13836545Fc1c(F)c(F)c(F)c(F)c1F HEXAFLUOZQBFAOFF 5.3 InChI=1/C6392-56-3 13836549COCCOC ETHYLENE XTHFKEDI -58 InChI=1/C4110-71-4 13836589CCOCCO 2-EthoxyetZNQVEEAI -70 InChI=1/C4110-80-5 13836591C=CCCl 3-CHLORO OSDWBNJE -134.5 InChI=1/C3107-05-1 13836674ClCC1CO1 1-CHLORO-BRLQWZUY -57.2 InChI=1/C3106-89-8 13837112ClCC1CO1 (CHLOROMBRLQWZUY -26 InChI=1/C313403-37-7 13837112COCOC DIMETHOXNKDDWNXO -104.8 InChI=1/C3109-87-5 13837190

CRC (2007) Cl\C=C(\Cl)Cl TRICHLOR XSTXAVWG -84.7 InChI=1/C279-01-6 13837280CRC (2007) Cl/C(Cl)=C(\Cl)Cl TETRACHL CYTYCFOT -22.3 InChI=1/C2127-18-4 13837281CRC HandbookO=C(OCC)c1ccccc1C(=O)OCCDIETHYL P FLKPEMZO -40.5 InChI=1/C184-66-2 13837303CRC Handbook O=C(OCCCC)c1ccccc1C(=O)ODIBUTYL P DOIRQSBP -35 InChI=1/C184-74-2 13837319Merck Index COC(=O)c1ccccc1C(=O)OC DIMETHYL NIQCNGHV 5.5 InChI=1/C1131-11-3 13837329CRC HandbookC1CNCCO1 MORPHOLIYNAVUWVO -4.8 InChI=1/C4110-91-8 13837537

Nc1ccccc1N 1,2-BENZE GEYOCULI 102.5 InChI=1/C695-54-5 13837582O=C(CCCCCCCCC(=O)OCCCC)DIBUTYL S PYGXAGIEC -10 InChI=1/C1109-43-3 13837584ClCCCl 1,2-DICHL WSLDOOZR -35.5 InChI=1/C2107-06-2 13837650

CRC Handbook Oc1ccccc1Cl 2-CHLORO ISPYQTSU 9.8 InChI=1/C695-57-8 13837686LIDE v2:1780 ( NCCCCN 1,4-BUTANKIDHWZJU 27.5 InChI=1/C4110-60-1 13837702Merck (2001) Oc1ccccc1O CATECHOLYCIMNLLN 105 InChI=1/C6120-80-9 13837760

O=[N+]([O-])c1ccccc1O 2-NITROPHIQUPABOK 44.8 InChI=1/C688-75-5 13837787C=CCOCC=C ALLYL ETH ATVJXMYD -6 InChI=1/C6557-40-4 13837797

Merck Index Clc1ccccc1Cl 1,2-DICHL RFFLAFLAY -16.7 InChI=1/C695-50-1 13837988COc1ccccc1C=C Benzene, 1SFBTTWXN 29 InChI=1/C9612-15-7 13838042CC(=O)CC(C)(C)O 4-HYDROXYSWXVUIWO -44 InChI=1/C6123-42-2 13838151BrC(Br)Br BROMOFODIKBFYAX 8 InChI=1/CH75-25-2 13838404

Lide Oc2ccccc2c1ccccc1 2-PHENYL LLEMOWNG 59 InChI=1/C190-43-7 13839012Cc1cc(O)cc(O)c1 5-METHYLROIPPWFOQ 107.5 InChI=1/C7504-15-4 13839080Cc1ccc(O)cc1 P-CRESOL IWDCLRJO 35.5 InChI=1/C7106-44-5 13839082Cc1cc(O)ccc1C 3,4-DIMETYCOXTKKN 60.8 InChI=1/C895-65-8 13839105OCCOCCOCC DIETHYLENXXJWXESW -76 InChI=1/C6111-90-0 13839107

CRC HandbookCC(=O)OCCOCC ETHOXYET SVONRAPF -61.7 InChI=1/C6111-15-9 13839109Cc1cc(O)cc(C)c1 3,5-DIMETTUAMRELN 63.6 InChI=1/C8108-68-9 13839110Cc1ccc(O)c(C)c1 2,4-DIMETKUFFULVD 24.5 InChI=1/C8105-67-9 13839123Cc1cc(O)c(C)cc1 2,5-DIMETNKTOLZVE 74.8 InChI=1/C895-87-4 13839128Cc1cccc(O)c1C 2,3-DIMETQWBBPBRQ 72.8 InChI=1/C8526-75-0 13839151Cc1cccc(C)c1O 2,6-DIMETNXXYKOUN 45.7 InChI=1/C8576-26-1 13839174Cc1ccccn1 2-METHYLPBSKHPKMH -66.7 InChI=1/C6109-06-8 13839199CC(O)C(=O)OC 2-HYDROXYLPEKGGXM -66 InChI=1/C4547-64-8 13839235N#CCc1ccccc1 PHENYLACESUSQOBVLV -23.8 InChI=1/C8140-29-4 13839308

CRC HandbookOCCCCCCO 1,6-HEXANXXMIOPMD 42.8 InChI=1/C6629-11-8 13839416OCCCCCO 1,5-PENTAALQSHHUC -18 InChI=1/C5111-29-5 13839441

CRC (2008) CCOCCOCCOC(C)=O CARBITOL FPZWZCWU -25 InChI=1/C8112-15-2 13839516Merck Index CCCCOCCOCCO DIETHYLENOAYXUHPQ -68 InChI=1/C8112-34-5 13839549

OCCCO 1,3-PROPAYPFDHNVE -26.7 InChI=1/C3504-63-2 13839553COCCOCCOC 2-METHOXSBZXBUID -68 InChI=1/C6111-96-6 13839575Sc1ccccc1S 1,2-Dithio JRNVQLOK 27 InChI=1/C6626-04-0 13840080Sc1ccccc1S Benzene-1,JRNVQLOK 28.5 InChI=1/C617534-15-5 13840080ClCc1ccccc1 ALPHA-CH KCXMKQUN -45 InChI=1/C7100-44-7 13840690

CRC Handbook Oc1ccc(Br)cc1 P-BROMOPGZFGOTFR 66.4 InChI=1/C6106-41-2 13842573Cc1cccc(C)n1 2,6-LUTIDI OISVCGZH -6.1 InChI=1/C7108-48-5 13842613O=[N+]([O-])C([N+]([O-])=O)(TETRANIT NYTOUQBR 13.8 InChI=1/CN509-14-8 13842838ClC(Cl)(Cl)C(C)(C)O B,B,B-TRI OSASVXMJ 97 InChI=1/C457-15-8 13842993S=P(Oc1ccc(cc1)[N+]([O-])= PARATHIO LCCNCVORN 6.1 InChI=1/C156-38-2 13844817FC(F)(F)C(=O)C(F)(F)F HEXAFLUOVBZWSGAL -125 InChI=1/C3684-16-2 13846015FC(F)(F)C(=O)C(F)(F)F HEXAFLUOVBZWSGAL 19.5 InChI=1/C334202-69-2 13846015FC1(F)C(F)(F)C(F)(F)C1(F)F PERFLUORBCCOBQSF -40.1 InChI=1/C4115-25-3 13846040Oc1ccc(cc1)c2ccccc2 P-PHENYL YXVFYQXJA 166 InChI=1/C192-69-3 13846658CC(C)(C)c1ccc(O)cc1 P-T-BUTYL QHPQWRBY 98 InChI=1/C198-54-4 13846663

Oc1ccc(cc1)C(=O)OCC P-HYDROXYNUVBSKCK 117 InChI=1/C9120-47-8 13846749Merck Index O=[N+]([O-])c1ccc(N)cc1 4-NITROANTYMLOMAK 146 InChI=1/C6100-01-6 13846959

CC(=O)OCCBr ETHANOL, RGHQKFQZ -13.8 InChI=1/C4927-68-4 13847616SCCCS 1,3-PropanZJLMKPKYJ -79 InChI=1/C3109-80-8 13848090COC(=O)CCC(=O)OC DIMETHYL MUXOBHXG 19 InChI=1/C6106-65-0 13848341OCCOc1ccccc1 2-PHENOXQCDWFXQB 14 InChI=1/C8122-99-6 13848467C=CCc1ccc2OCOc2c1 SAFROLE ZMQAAUBT 11.2 InChI=1/C194-59-7 13848731O=C1C=Cc2ccccc2O1 COUMARINZYGHJZDHT 71 InChI=1/C991-64-5 13848793Oc1ccccc1C(=O)OC METHYL SAOSWPMRLS -8 InChI=1/C8119-36-8 13848808CC1=CCC(CC1)C(O)(C)C 2-(4-METHWUOACPNH 33 InChI=1/C110482-56-1 13850142CC1=CCC(CC1)C(O)(C)C ALPHA-TERWUOACPNH 37.5 InChI=1/C198-55-5 13850142CC1=CCC(CC1)C(O)(C)C 2-(4-MethyWUOACPNH 40.5 InChI=1/C1 12/2/2438 13850142CC(=O)OCc1ccccc1 BENZYL ACQUKGYYKB -51.3 InChI=1/C9140-11-4 13850405

CRC HandbookSCc1ccccc1 BenzenemeUENWRTRM -30 InChI=1/C7100-53-8 13851383BrCc1ccccc1 ALPHA-BR AGEZXYOZ -3 InChI=1/C7100-39-0 13851576COCCl CHLOROMEXJUZRXYO -103.5 InChI=1/C2107-30-2 13852893ClC(F)(F)C(Cl)(F)F 1,2-DICH DDMOUSAL -94 InChI=1/C276-14-2 13853215

CRC HandbookO=[N+]([O-])c1ccccc1N 2-NITROANDPJCXCZT 71 InChI=1/C688-74-4 13853943Hawley O=[N+]([O-])c1ccccc1Cl 2-CHLORO-BFCFYVKQ 32.5 InChI=1/C688-73-3 13853953

BrCCCl 1-BROMO-IBYHHJPAA -16.7 InChI=1/C2107-04-0 13854130CRC (2007) Cc1ccccc1N O-TOLUIDIRNVCVTLR -14.4 InChI=1/C795-53-4 13854136

Nc1ccc(cc1)C(=O)OCC P-AMINOBEBLFLLBZGZ 92 InChI=1/C994-09-7 13854242Nc1ccccc1Cl 2-CHLOROAAKCRQHGQ -14 InChI=1/C695-51-2 13854248CC(OC)OC 1,1-DIMETSPEUIVXL -113.2 InChI=1/C4534-15-6 13854808Cc1ccnc2ccccc12 4-METHYLQMUDSDYNR 9.5 InChI=1/C1491-35-0 13854818CN(C)CCO 2-DIMETH UEEJHVSXF -59 InChI=1/C4108-01-0 13854944O=Cc1ccc(F)cc1 BENZALDEHUOQXIWFB -10 InChI=1/C7459-57-4 13854995CC(=O)c1cccnc1 3-ACETYLPWEGYGNRO 13.5 InChI=1/C7350-03-8 13856009ClCC(Cl)=O CHLOROACVGCXGMAH -22 InChI=1/C279-04-9 13856283NCCc1ccccc1 2-PHENYLEBHHGXPLM -60 InChI=1/C864-04-0 13856352

CRC N#CCC(=O)OCC ETHYL CYAZIUSEGSNT -22.5 InChI=1/C5105-56-6 13856579Fc1ccc(cc1)[N+](=O)[O-] 4-FLUORO WFQDTOYD 21 InChI=1/C6350-46-9 13856885O=C(OCc1ccccc1)c2ccccc2 BENZYL BESESFRYSP 21 InChI=1/C1120-51-4 13856959NCC(OCC)OCC EthanamineHJKLEAOXC -78 InChI=1/C6645-36-3 13857397

CRC HandbookClc1cccc(Cl)c1 3-DICHLO ZPQOPVIEL -24.8 InChI=1/C6541-73-1 13857694Nc1ccccc1C(=O)OC METHYL ANVAMXMNNI 24.5 InChI=1/C8134-20-3 13858096O=C(C)c1ccccc1N Phenacyla GTDQGKWD 20 InChI=1/C8613-89-8 13859235O=Cc1ccc2OCOc2c1 PIPERONALSATCULPH 37 InChI=1/C8120-57-0 13859497CC(C)c1cccc(C(C)C)c1N BenzenaminWKBALTUB -45 InChI=1/C124544-04-5 13859730Nc1cc(ccc1)C(=O)OCC Tricaine ZMCBYSBV 149.5 InChI=1/C9886-86-2 13860074

Lide & Milne ( OCc1ccccc1 BENZYL ALWVDDGKGO -15.2 InChI=1/C7100-51-6 13860335Oc1ccc(cc1OC)C=O VANILLIN MWOOGOJB 81.5 InChI=1/C8121-33-5 13860434Cc1cc(N)ccc1C 3,4-XYLIDI DOLQYFPD 51 InChI=1/C895-64-7 13860491Nc1cc(Br)ccc1 M-BROMOADHYHYLGC 18.5 InChI=1/C6591-19-5 13860633CCc1ccccc1N O-ETHYLANMLPVBIWI -46.5 InChI=1/C8578-54-1 13860641

CRC (2007) Cc1cc(N)ccc1 M-TOLUIDIJJYPMNFTH -31.3 InChI=1/C7108-44-1 13860692Nc1cc(Cl)c(Cl)cc1 3,4-DICHL SDYWXFYB 72 InChI=1/C695-76-1 13860720

CRC (2007) Nc1ccccc1OC 2-METHOXYVMPITZXI 6.2 InChI=1/C790-04-0 13860775Clc1cc(Cl)c(N)cc1 2,4-DICHL KQCMTOWT 63.5 InChI=1/C6554-00-7 13860817COc1ccccc1OC 1,2-DIMETABDKAPXR 22.5 InChI=1/C891-16-7 13861009ClC(=O)c1ccco1 Furoyl ChloOFTKFKYV -2 InChI=1/C51300-32-9 13861158ClC(=O)c1ccco1 2-FurancarOFTKFKYV -2 InChI=1/C5527-69-5 13861158

Tomlin,C (2003ClC(Cl)(Cl)[N+]([O-])=O TRICHLOR LFHISGNC -64 InChI=1/CC76-06-2 13861343Clc1c(C#N)c(Cl)c(C#N)c(Cl)c1CHLOROTHCRQQGFGU 250 InChI=1/C81897-45-6 13861400

CRC HandbookClC(Cl)(Cl)C#N TRICHLORODRUIESSIV -42 InChI=1/C2545-06-2 13861934CRC (2007) C=CC[Si](Cl)(Cl)Cl ALLYTRICHHKFSBKQQ 35 InChI=1/C3107-37-9 13862317

Clc1cc(Cl)c(Cl)cc1 1,2,4-TRI PBKONEOX 17 InChI=1/C6120-82-1 13862559CRC (2007) FC(F)(C(F)(F)C(F)(F)F)C(F)(F)FDECAFLUOKAVGMUDT -129.1 InChI=1/C4355-25-9 13862701CRC HandbookCOC(=O)c1ccc(cc1)C(=O)OC DIMETHYL WOZVHXUH 141 InChI=1/C1120-61-6 13863300

O=Cc1ccccc1O O-HYDROXSMQUZDBA -7 InChI=1/C790-02-8 13863618CRC (2005) O=Cc1ccco1 FUFURAL HYBBIBNJ -38.1 InChI=1/C598-01-1 13863629

O=C(CC(=O)OCC)OCC DIETHYL MIYXGSMUG -50 InChI=1/C7105-53-3 13863636ClC(Cl)(Cl)C=O TRICHLOR HFFLGKNG -57.5 InChI=1/C275-87-6 13863645Cc1ccc(cc1)[N+](=O)[O-] P-NITROTOZPTVNYMJ 51.6 InChI=1/C799-99-0 13863774Clc1cccc(Cl)c1Cl 1,2,3-TRI RELMFMZE 53.5 InChI=1/C687-61-6 13864445

Merck Index (2CC(=O)OCCOC 2-METHOXYXLLIQLLCW -65.1 InChI=1/C5110-49-6 13864773CRC HandbookSCCS 1,2-ETHANVYMPLPIF -41.2 InChI=1/C2540-63-6 13865015Ashford Cc1ccc(C=O)cc1 P-TOLUAL FXLOVSHX -6 InChI=1/C8104-87-0 13865424

CC(=O)CC(=O)OCC ACETOACETXYIBRDXR -45 InChI=1/C6141-97-9 13865426Cc1ccc(OC)cc1 P-METHYLACHLICZRV -32 InChI=1/C8104-93-8 13865438O=C(CCC(=O)OCCCC)OCCCC ButanedioicYUXIBTJKH -29.2 InChI=1/C1141-03-7 13865454O=C(CCC(=O)OCC)OCC DIETHYL S DKMROQRQ -21 InChI=1/C8123-25-1 13865630CCc1ccccc1O O-ETHYLP IXQGCWUG 18 InChI=1/C890-00-6 13865680O=C(Cl)c1ccccc1C(Cl)=O PHTHALOYLFYXKZNLBZ 15.5 InChI=1/C888-95-9 13865683

CRC (2007) NCCCCCN CadaverineVHRGRCVQ 9 InChI=1/C5462-94-2 13866593Fc1cc(F)c(F)c(F)c1F PENTAFLU WACNXHCZ -47.3 InChI=1/C6363-72-4 13866746

CRC HandbookClc1ccc(Cl)cc1 1,4-DICHL OCJBOOLM 52.09 InChI=1/C6106-46-7 13866817ClC(=O)CCC(Cl)=O SUCCINYL IRXBNHGN 20 InChI=1/C4543-20-4 13867055N#CCC(=O)OC METHYL C ANGDWNB -22.5 InChI=1/C4105-34-0 13867413c1nc(ccc1)c2ccccn2 2,2-BIPYRI ROFVEXUM 72 InChI=1/C1366-18-7 13867714NC2CCC(CC1CCC(N)CC1)CC2 CyclohexanDZIHTWJG 15 InChI=1/C11761-71-3 13868371NC2CCC(CC1CCC(N)CC1)CC2 CyclohexanaDZIHTWJG 36.5 InChI=1/C16693-30-7 13868371NC2CCC(CC1CCC(N)CC1)CC2 CyclohexanaDZIHTWJG 61 InChI=1/C16693-31-8 13868371NC2CCC(CC1CCC(N)CC1)CC2 CyclohexanaDZIHTWJG 64.7 InChI=1/C16693-29-4 13868371O=[N+]([O-])c1cc(ccc1Cl)[N+]2,4-DINIT VYZAHLCB 53 InChI=1/C697-00-7 13868426Brc1ccc(Br)cc1 1,4-DIBR SWJPEBQE 87.3 InChI=1/C6106-37-6 13868640Clc1cc(C)c(Cl)cc1C Benzene, 1,UTGSRNVB 71 InChI=1/C81124-05-6 13868642Ic1ccc(Cl)cc1 4-CHLORO GWQSENYK 57 InChI=1/C6637-87-6 13868660Nc1ccc(Cl)cc1 4-CHLOROAQSNSCYSY 72.5 InChI=1/C6106-47-8 13869339

CRC (2008) Nc1ccc(OC)cc1 4-METHOXYBHAAPTBBJ 57.2 InChI=1/C7104-94-9 13869414

Cc1cc(N)c(C)cc1 2,5-DIMETVOWZNBND 15.5 InChI=1/C895-78-3 13869434Nc1cc(Cl)ccc1 3-CHLOROAPNPCRKVU -10.4 InChI=1/C6108-42-9 13869451Cc1ccc(N)c(C)c1 2,4-DIMETCZZZABOK -14.3 InChI=1/C895-68-1 13869462

CRC (2007) Nc1cccc(OC)c1 M-METHOXNCBZRJOD -1 InChI=1/C7536-90-3 13869480Nc1cc(C)ccc1OC 2-METHOXWXWCDTXE 53 InChI=1/C8120-71-8 13869579Clc1ccc(Cl)c(N)c1 2,5-DICHL AVYGCQXN 50 InChI=1/C695-82-9 13869655Nc1cc(ccc1OC)OC 2,5-DIMETNAZDVUBI 82.5 InChI=1/C8102-56-7 13869661Cc1ccc2ccccc2n1 2-METHYLQSMUQFGGV -1.5 InChI=1/C191-63-4 13870160FC(F)(F)C(Cl)=O TrifluoroacPNQBEPDZ -146 InChI=1/C2354-32-5 13870615OC(C(O)C(=O)OCC)C(=O)OCCTARTARIC AYSAVZVOR 17 InChI=1/C887-91-2 13871489CN2C1CCC2CC(O)C1 TROPINE CYHOMWAP 64 InChI=1/C8120-29-6 13871816CN2C1CCC2CC(O)C1 PseudotropCYHOMWAP 109 InChI=1/C8135-97-7 13871816

Lide, DR ET AL CN1CC(=CCC1)C(=O)OC Arecoline HJJPJSXJA 157.5 InChI=1/C861-94-9 13872064ClCC(=O)OC METHYL C QABLOFMH -32.1 InChI=1/C396-34-4 13872667C=CCO ALLYL ALC XXROGKLT -129 InChI=1/C3107-18-6 13872989CN(C)c1ccc(Br)cc1 BenzenaminXYZWMVYY 55 InChI=1/C8586-77-6 13873600O=[N+]([O-])c1cc(cc(c1)[N+](1,3,5-TRI UATJOMSP 121.5 InChI=1/C699-35-4 13873689ClC(Cl)(Cl)C(=O)C(Cl)(Cl)Cl HEXACHLODOJXGHGH -2 InChI=1/C3116-16-5 13873693Cc1ccncc1 4-METHYLPFKNQCJSGG 3.66 InChI=1/C6108-89-4 13874733CC(=O)CC(=O)OC METHYL A WRQNAND -80 InChI=1/C5105-45-3 13874867Cc1ccccc1F O-FLUOROMMZYCBHL -62 InChI=1/C795-52-3 13875158Cc1ccc(Cl)cc1 P-CHLORONPDACUSD 7.5 InChI=1/C7106-43-4 13875160Cc1cc(C)c(Br)cc1C 1-Bromo-2,SCZXFZRJD 73 InChI=1/C95469-19-2 13875161Fc1ccc(Br)cc1 P-BROMOFAITNMTXHT -17.4 InChI=1/C6460-00-4 13875180Fc1ccc(OC)cc1 P-FLUOROAVIPWUFMF -45 InChI=1/C7459-60-9 13875196COc1ccccc1Cl O-CHLOROQGRPVMLB -26.8 InChI=1/C7766-51-8 13875198Fc1cccc(N)c1 3-FLUOROAQZVQQUVW -5 InChI=1/C6372-19-0 13875208Brc1ccccc1Br O-DIBROMWQONPSCC 7.1 InChI=1/C6583-53-9 13875212

CRC HandbookOc1ccc(Cl)cc1 4-CHLORO WXNZTHHG 42.8 InChI=1/C6106-48-9 13875219Cc1cc(Cl)ccc1 M-CHLOROOSOUNOBY -47.8 InChI=1/C7108-41-8 13875230Cc1ccc(Br)cc1 P-BROMOTZBTMRBYM 28.5 InChI=1/C7106-38-7 13875258Cc1ccc(Br)c(C)c1 Benzene, 1YSFLQVNT -17 InChI=1/C8583-70-0 13875259Cc1ccccc1Cl 2-CHLORO IBSQPLPB -35.6 InChI=1/C795-49-8 13875281Cc1ccc(F)cc1 P-FLUORO WRWPPGUC -56 InChI=1/C7352-32-9 13875283Cc1ccccc1Br O-BROMOTQSSXJPIWX -27.8 InChI=1/C795-46-5 13875320FC(F)(F)c1cc(F)ccc1 TrifluoromGBOWGKOV -81.5 InChI=1/C7401-80-9 13875325Cc1ccc(Cl)c(C)c1 BENZENE, UIEVCEQL -32.5 InChI=1/C895-66-9 13875329Brc1cccc(Br)c1 M-DIBROMJSRLURSZ -7 InChI=1/C6108-36-1 13875356Cc1cc(Br)ccc1C BENZENE, QOGHRLGT -0.2 InChI=1/C8583-71-1 13875357Cc1cc(Cl)c(C)cc1 Benzene, 2KZNRNQGT 1.6 InChI=1/C895-72-7 13875362Cc1cc(F)ccc1 M-FLUOROBTQZKHUE -87 InChI=1/C7352-70-5 13875376Clc1cc(Br)ccc1 M-BROMOCJRGGUPZK -21.5 InChI=1/C6108-37-2 13875377Cc1cccc(C)c1Cl BENZENE, VDXLAYAQ -35 InChI=1/C86781-98-2 13875381Cc1cc(Br)ccc1 M-BROMOTWJIFKOVZ -39.8 InChI=1/C7591-17-3 13875392

Merck Index Oc1cc(Cl)ccc1 3-CHLORO HORNXRXV 33.5 InChI=1/C6108-43-0 13875432

CRC Handbook Oc1cc(Br)ccc1 M-BROMOMNOJRWOW 33 InChI=1/C6591-20-8 13875441Fc1ccccc1OC 2-FLUOROAJIXDOBAQ -39 InChI=1/C7321-28-8 13875445

Merck Index (2Oc1ccc(cc1OC)CC=C EUGENOL RRAFCDWB -9.1 InChI=1/C197-53-0 13876103C=CCC#N 3-BUTENENSJNALLRHI -87 InChI=1/C4109-75-1 13876176O=CCc1ccccc1 PHENYLACDTUQWGWM 33.5 InChI=1/C8122-78-1 13876539N#CCCCCC#N ADIPONITRBTGRAWJC 1 InChI=1/C6111-69-3 13876621COc1ccccc1Br 1-BROMO-HTDQSWDE 2.5 InChI=1/C7578-57-4 13881329Clc1cc(Br)ccc1Cl Benzene, 4CFPZDVAZ 25 InChI=1/C618282-59-2 13881395COc1ccc(Br)cc1 4-BROMOAQJPJQTDY 13.5 InChI=1/C7104-92-7 13881571

CRC HandbookOCCSCCO 2,2'-THIO YODZTKMD -10.2 InChI=1/C4111-48-8 13881956CCCCOCCOCCOCCCC DIETHYLENKZVBBTZJ -60 InChI=1/C1112-73-2 13881964ClC(Cl)c1ccccc1 (DICHLOR CAHQGWAX -17 InChI=1/C798-87-3 13882337ClC(Cl)(Cl)c1ccccc1 BENZOTRICXEMRAKSQ -5 InChI=1/C798-07-7 13882366CCOCCOC(=O)C=C 2-ETHOXYEFWWXYLGC -47 InChI=1/C7106-74-1 13882938Nc1ccc(cc1)N(C)C N,N-DIMETBZORFPDS 53 InChI=1/C899-98-9 13884246N#CCC#N MALONONICUONGYYJ 32 InChI=1/C3109-77-3 13884495CC(O)CC(C)(C)O 2-METHYL-SVTBMSDM -50 InChI=1/C6107-41-5 13884973O=C(OCC)Cc1ccccc1 BENZENEACDULCUDSU -29.4 InChI=1/C1101-97-3 13885245O=C(C)C1C(=O)C=C(C)OC1=ODEHYDROACPGRHXDWI 109 InChI=1/C8520-45-6 13887609FC2(F)C1(F)C(F)(F)C(F)(F)C(F)(NaphthalenUWEYRJFJV -10 InChI=1/C1306-94-5 13888074OC2=C(Cc1c(O)c(C(=O)CCC)c(FlavaspidicHNAIAJNE 156 InChI=1/C2114-42-1 13919894O\N=C(/C(=N/O)c1ccco1)c2cEthanedioneRBOZTFPIX 167 InChI=1/C1522-27-0 13941050[O-][N+](=O)c1c2ccccc2ccc1C1-Nitro-2- UYEFXKQQ 99.5 InChI=1/C14185-63-1 13994696CN(C)(C)Cl TrimethylaFSHCKXHAY 277.5 InChI=1/C3593-81-7 14126204Clc1ccc2c(c1Cl)C(=O)C=CC2=5,6-Dichlo DDYQORBO 181 InChI=1/C156961-93-4 14415899CCCCCCCCCCCCCCCCCCOO Stearyl hy GLXQGZXP 49.5 InChI=1/C156537-19-0 14446603O=C(O)C1=COC(=O)C1 5-Oxo-4,5-dDRMYLINA 164 InChI=1/C5585-68-2 14482627CC(=O)Oc2c1ccccc1c(OC(C)= 1,4-NAPHTFWZOAZCZ 138 InChI=1/C161601-23-8 14604427

CRC Cc1ccc(cc1)[Si](C)(c2ccc(C)ccSilane, methWYAZFNYQ 92 InChI=1/C218752-92-6 14615742O=S(N)(=O)c1cc(c(cc1Cl)\N= Ambuside SGYBHNVEI 206 InChI=1/C13754-19-6 14679165

Merck Index OCC(=O)C54OC(C)(C)OC5CC3FlurandrenWOSCSXKI 251 InChI=1/C21524-88-5 14691251Merck (avg) CC(=O)C3(O)CCC2C4C=CC5=CCyproteronHEQOAVAM 200.5 InChI=1/C2427-51-0 14828857

3-HYDROXYPHWILTQZ 191 InChI=1/C56602-28-4 14919704OC=1c4ccccc4OC(=O)C=1C(CEthylideneCPDOMNNH 178 InChI=1/C21821-16-5 15148687C=CC3CNCCC3CCC(=O)c2ccncCinchotoxiPIIQLZXRL 59 InChI=1/C169-24-9 15248088O=[N+]([O-])Cc1ccc(C)cc1 BENZENE, SCLRUEQYJ 11.5 InChI=1/C829559-27-1 15291036NC(=O)SCC ThiocarbamiYRNIQASZ 109 InChI=1/C3637-98-9 15365993

LIDE,DR ET AL.Oc2cc(C)c(/N=N/c1ccccc1)ccPhenol, 3- AXGXXLOK 109 InChI=1/C11435-88-7 15438609Clc1cc(Cl)ccc1OC(C)C(=O)OC DICHLORPROAKNYWMO -37 InChI=1/C128631-35-8 15538491Cc1cccc2ccc(Cl)nc12 2-Chloro-8ZLKRFLIU 61 InChI=1/C14225-85-8 15564506O=C(C)ONC1CCSC1=O N-(TETRAHOGNBCYMA 112 InChI=1/C61195-16-0 15941973

ALDRICH (2000CCCCP(Cl)(CCCC)(CCCC)CCCCPhosphoniuAAJXNVMH 81.5 InChI=1/C12304-30-5 16371430Nc4nc(C)ncc4CN(C=O)C(/C)=BisbentiamIWXAZSAG 146.5 InChI=1/C32667-89-2 16735701Oc3ccc4C[C@H]1N(CC[C@@]ButorphanoIFKLAQQSC 216 InChI=1/C242408-82-2 16735714OC1=CC(=O)C=C(O)C1(C)C Filicinic Ac ZITLVRQXJ 214.5 InChI=1/C82065-00-1 16735811

CC(CC)C(=O)NC2CCC(=O)N(CJulocrotineASALPLLZV 108.5 InChI=1/C1492-87-5 16735867OC2=C(C1=C(O)C(=O)C(C)=C Phenicin BFRRTQSW 230 InChI=1/C1128-68-7 16735961

Merck Index Cl[C@H]1[C@@H](Cl)[C@@H]GAMMA-HEJLYXXMFP 112.5 InChI=1/C6H58-89-9 16736910O=C(O)CCc2c(C)c1cc5nc(cc4nHematoporUJKPHYRXO 172.5 InChI=1/C314459-29-1 16739170

CRC HandbookS=P(=S)SP(=S)=S PHOSPHORUHWVAJUNE 285 InChI=1/P21314-80-3 17293221Merck Index (2OCC(=O)[C@@]4(O)CCC3C2CHYDROCORJYGXADMD 218.5 InChI=1/C250-23-7 17956308Merck Index (2FB(F)(F)O(CC)CC TRIFLUOR MZTVMRUD -60.4 InChI=1/C4109-63-7 17983029

O\N=C1\CCCC\C1=N\O 1,2-Cycloh CUNNCKOP 192 InChI=1/C6492-99-9 17983039Cc1cc(Cl)c(Cl)c(Cl)c1 1,2,3-Tric DYBIAGHG 45.5 InChI=1/C721472-86-6 18976129

2,1,3-BEN MXOKXGCK 43 InChI=1/C6273-13-2 19048445O=C1C=CC(=S)C=C1 P-MERCAPIHCMWJVA 29.5 InChI=1/C6637-89-8 19066718C1=CC=CC2=NC(N=C12)c3ccc2-PHENYLBTVAZXONM 293 InChI=1/C1716-79-0 19127843OC(=O)c1c(O)cccc1Br 5-BROMOSALSIRNJUV 169.8 InChI=1/C789-55-4 19887395

Lide (2005) C=C1C(/CC(O)CC1O)=C\C=C2/Calcitriol GMRQFYUY 115 InChI=1/C232222-06-3 20117947CRC HandbookO=C1CC[C@@]6(O)[C@H]3CcNALTREXODQCKKXVU 169 InChI=1/C216590-41-3 20121362

Cc3cc(/N=N/c1c2ccccc2ccc1O1-Xylylazo VUSAIZBV 153 InChI=1/C185-82-5 20152670Cc2ccc(/N=C\N(C)/C=N/c1cccAMITRAZ QXAITBQS 86 InChI=1/C133089-61-1 20171809c1cc(ccn1)c2ccncc2 4,4'-DIPYR MWVTWFVJ 111 InChI=1/C1553-26-4 21105699O=Cc1cc(O)ccc1 3-HYDROXIAVREABS 108 InChI=1/C7100-83-4 21105795Oc1c(cccc1OC)C=O O-VANILLI JJVNINGB 44.5 InChI=1/C8148-53-8 21105848CC(=O)C(C)O ACETOIN ROWKJAVD 15 InChI=1/C4513-86-0 21105851C=CC\N=C=S 3-ISOTHIO ZOJBYZNEU -80 InChI=1/C457-06-7 21105854Oc1ccc(CC=C)cc1 4-(2-PROP RGIBXDHO 15.8 InChI=1/C9501-92-8 21105856COc1ccc(CO)cc1 P-METHOXMSHFRERJ 25 InChI=1/C8105-13-5 21105859Cc1ccc(cc1O)C(C)C Phenol, 2- RECUKUPT 1 InChI=1/C1499-75-2 21105867OC\C=C\c1ccccc1 CINNAMYLOOCCDEMIT 33 InChI=1/C9104-54-1 21105870Cc1cc(O)ccc1 M-CRESOLRLSSMJSE 11.8 InChI=1/C7108-39-4 21105871C(OCc1ccccc1)c2ccccc2 DIBENZYL MHDVGSVT 3.6 InChI=1/C1103-50-4 21105876COc1ccc(OC)cc1 P-DIMETH OHBQPCCC 59 InChI=1/C8150-78-7 21105878O=C(Cc1ccccc1)Cc2ccccc2 DIBENZYL YFKBXYGU 35 InChI=1/C1102-04-5 21105887CCOc1ccc(cc1)C=O BenzaldehyJRHHJNMA 13.5 InChI=1/C910031-82-0 21105889Oc1ccccc1C(=O)OCC ETHYL 2-H GYCKQBWU 1 InChI=1/C9118-61-6 21105897CCc1cnc(C)cc1 5-ETHYL-2 NTSLROIKF -70.9 InChI=1/C8104-90-5 21105900CCc1cccnc1 3-ETHYLPYMFEIKQPH -76.9 InChI=1/C7536-78-7 21105905O=C(C)c1ccccc1O O-HYDROXJECYUBVR 5 InChI=1/C8118-93-4 21105920OCc1ccc(cc1)C(C)C BenzenemetOIGWAXDA 28 InChI=1/C1536-60-7 21105932Oc1ccc(C)cc1OC 4-Methyl- PETRWTHZ 5.5 InChI=1/C893-51-6 21105936COc1ccc(C=O)cc1 P-ANISALDZRSNZINY 0 InChI=1/C8123-11-5 21105937O=C(/C=C/c1ccccc1)OC CINNAMIC CCRCUPLG 36 InChI=1/C1103-26-4 21105944Cc1ccccc1OC 2-METHYLADTFKRVXL -34.1 InChI=1/C8578-58-5 21105959CC(=O)OCCc1ccccc1 B-PHENYLEMDHYEMXU -31.1 InChI=1/C1103-45-7 21105987CC(C)c1ccc(C)cc1O THYMOL MGSRCZKZ 51.5 InChI=1/C189-83-8 21105998Cc1ccccc1S 2-METHYLBLXUNZSDD 15 InChI=1/C7137-06-4 21105999COc1cc(ccc1OC)C=O BENZALDEHWJUFSDZV 43 InChI=1/C9120-14-9 21106008

Merck Index O=[N+]([O-])c1cc(Cl)ccc1 3-CHLORO-KMAQZIILE 46 InChI=1/C6121-73-3 21106013

O=Cc1ccccc1Cl 2-CHLORO FPYUJUBA 12.4 InChI=1/C789-98-5 21106014ClCCO 2-CHLORO SZIFAVKTN -67.5 InChI=1/C2107-07-3 21106015ClCCOCCCl BIS(2-CHL ZNSMNVML -51.9 InChI=1/C4111-44-4 21106016Oc1cc(C)c(Cl)c(C)c1 4-CHLORO-OSDLLIBGS 115 InChI=1/C888-04-0 21106017Oc1ccc(Cl)c(C)c1 3-METHYL CFKMVGJGL 67 InChI=1/C759-50-7 21106018O=Cc1ccc(Cl)cc1 4-CHLORO AVPYQKSLY 47.5 InChI=1/C7104-88-1 21106019

Merck Index O=[N+]([O-])c1ccc(Cl)cc1 P-CHLOROCZGCEKJOL 83.5 InChI=1/C6100-00-5 21106020Nc1ccc(OC)cc1C BENZENAMICDGNLUSB 29.5 InChI=1/C8102-50-1 21106028O=CC1CC=CCC1 3-CYCLOHEDCFDVJPD 2 InChI=1/C7100-50-5 21106029ClCCCCCl 1,4-DICHL KJDRSWPQ -37.3 InChI=1/C4110-56-5 21106032CC(C)(OC)OC 2,2-DIME HEWZVZIVE -47 InChI=1/C577-76-9 21106033

CRC HandbookO=[N+]([O-])c1ccc(Cl)cc1Cl 2,4-DICHL QUIMTLZD 34 InChI=1/C6611-06-3 21106035Fc1cc(F)ccc1[N+](=O)[O-] Benzene, 2,RJXOVESYJ 9.8 InChI=1/C6446-35-5 21106036Fc1ccc(cc1[N+](=O)[O-])[N+](1-FLUORO-LOTKRQAV 25.8 InChI=1/C670-34-8 21106037Oc1ccc(cc1)C(C)(C)CC P-TERT-AMNRZWYNLT 95 InChI=1/C180-46-6 21106091CC(O)C(C)O DL-2,3-BU OWBTYPJT 7.6 InChI=1/C46982-25-8 21106093CC(O)C(C)O 2,3-BUTANOWBTYPJT 25 InChI=1/C4513-85-9 21106093CC(O)C(C)O 2,3-BUTANOWBTYPJT 33 InChI=1/C45341-95-7 21106093

CRC HandbookClc1ccc(cc1Cl)[N+]([O-])=O 3,4-DICHL NTBYINQT 43 InChI=1/C699-54-7 21106095O=C(OC)CC(=O)OC PROPANEDIBEPAFCGS -61.9 InChI=1/C5108-59-8 21106102O=[N+]([O-])c1cc(ccc1)C(=O ETHYL-M-NMKBIJCPQ 47 InChI=1/C9618-98-4 21106111

CRC HandbookNc1ccccc1C(=O)OCC O-AMINOBETWLLPUMZ 13 InChI=1/C987-25-2 21106112Merck Index Oc1cc(O)ccc1CCCCCC 4-HEXYLREWFJIVOKA 68 InChI=1/C1136-77-6 21106121

Oc2cccc(Nc1ccccc1)c2 Phenol, 3- NDACNGSD 81.5 InChI=1/C1101-18-8 21106124CC(=O)CO HYDROXYAXLSMFKST -17 InChI=1/C 116-09-6 21106125Ic1cccc(c1)[N+](=O)[O-] 3-IODONITCBYAZOKP 38.5 InChI=1/C6645-00-1 21106127Oc1ccc(cc1OC)\C=C\C 2-METHOXYBJIOGJUNA -10 InChI=1/C197-54-1 21106129Oc1ccc(cc1OC)\C=C\C PHENOL, 2-BJIOGJUNA 33.5 InChI=1/C15932-68-3 21106129C#CC(C)(C)O 2-METHYL-CEBKHWWA 3 InChI=1/C5115-19-5 21106133Cc1cc(OC)ccc1 M-METHYLOSIGJGFT -47 InChI=1/C8100-84-5 21106135

Hawley COc1ccc(cc1)C(Cl)=O Benzoyl chMXMOTZIX 22 InChI=1/C8100-07-2 21106136CRC HandbookCOc1cc(ccc1OC)CC=C METHYLEUZYEMGPIYF -4 InChI=1/C193-15-2 21106140

COc1cc(ccc1OC)CC=C 4-Allyl-1, ZYEMGPIYF 70 InChI=1/C16380-24-1 21106140Merck Index (2ClCCSCCCl DI-2-CHLO QKSKPIVN 13.5 InChI=1/C4505-60-2 21106142

Cc1ccccc1[N+](=O)[O-] 2-NITROTOPLAZTCDQ -10 InChI=1/C788-72-2 21106144O=[N+]([O-])c1cc(ccc1)C(C)= 3-NITROA ARKIFHPF 81 InChI=1/C8121-89-1 21106145Cc1cc(ccc1)[N+](=O)[O-] 3-NITROTOQZYHIOPPL 15.5 InChI=1/C799-08-1 21106146COc1ccc(cc1)[N+]([O-])=O P-NITROANBNUHAJGC 54 InChI=1/C7100-17-4 21106148CCOc1ccc(N)cc1 P-ETHOXYAIMPPGHMH 2.4 InChI=1/C8156-43-4 21106155Fc1ccc(F)c(F)c1F 1,2,3,4-T SOZFIIXUN -42 InChI=1/C6551-62-2 21106162Clc1cc(Cl)c(Cl)cc1Cl 1,2,4,5-T JHBKHLUZ 139.5 InChI=1/C695-94-3 21106163FC(F)C(F)(F)CO 2,2,3,3-T NBUKAOOF -15 InChI=1/C376-37-9 21106164N#Cc1ccc(C)cc1 4-METHYLBVCZNNAKN 29.5 InChI=1/C8104-85-8 21106167FC(F)(F)CO 2,2,2-TRI RHQDFWAX -43.5 InChI=1/C275-89-8 21106169Brc1cc(Br)cc(Br)c1N BenzenaminGVPODVKB 122 InChI=1/C6147-82-0 21106171

Clc1cc(Cl)cc(Cl)c1O 2,4,6-TRI LINPIYWFG 69 InChI=1/C688-06-2 21106172CC1OC(C)OC(C)O1 PARALDEHSQYNKIJP 12.6 InChI=1/C6123-63-7 21106173Cc1cc(C)cc(C)n1 2,4,6-COLLBWZVCCNY -46 InChI=1/C8108-75-8 21106174NCCNCCNCCN TRIETHYLEVILCJCGEZ 12 InChI=1/C6112-24-3 21106175FC(F)(F)C(=O)OC(=O)C(F)(F)F TRIFLUOROQAEDZJGF -65 InChI=1/C4407-25-0 21106178FC(F)F TRIFLUOR XPDWGBQV -155.1 InChI=1/CH75-46-7 21106179CC(C)O[Ti](OC(C)C)(OC(C)C)OTitanium I VXUYXOFX 20 InChI=1/4C546-68-9 21106214n1cc(ccc1)C2CCCCN2 ANABASINMTXSIJUG 9 InChI=1/C1494-52-0 21106257COc1cc(CC=C)c(OC)c2OCOc11,3-BenzodQQRSPHJO 29.5 InChI=1/C1523-80-8 21106259

Sax C\C=C\c1ccc2OCOc2c1 ISOSAFROLVHVOLFRB 8.2 InChI=1/C1120-58-1 21106329c1ccc2Sc3ccccc3Nc2c1 PHENOTHIAWJFKNYWR 187.5 InChI=1/C192-84-2 21106365O=C(C)Cc1ccccc1 1-PHENYL-QCCDLTOV -15 InChI=1/C9103-79-7 21106366Cl/C(Cl)=C(\F)F 1,1-DICHL QDGONURI -116 InChI=1/C279-35-6 21106435N#CCCCC#N PENTANEDIZTOMUSMD -29 InChI=1/C5544-13-8 21106442

Merck Index (aC#CCO PROPARGYTVDSBUOJI -50 InChI=1/C3107-19-7 21106466c1cccc2nccnc12 QUINOXALXSCHRSMB 28 InChI=1/C891-19-0 21106470N#CCCC#N SUCCINONIIAHFWCOB 54.5 InChI=1/C4110-61-2 21106481ClCOCCl BIS(CHLORHRQGCQVO -41.5 InChI=1/C2542-88-1 21106500ClCC=O CHLOROACQSKPIOLLB -16.3 InChI=1/C2107-20-0 21106502C1OC1C2CO2 1,2:3,4-D ZFIVKAOQ -19 InChI=1/C4564-00-1 21106504C1OC1C2CO2 1,2:3,4-D ZFIVKAOQ 3 InChI=1/C4298-18-0 21106504C1OC1C2CO2 DIEPOXYB ZFIVKAOQ 4 InChI=1/C41464-53-5 21106504C1OC1C2CO2 1,2:3,4-DI ZFIVKAOQ 4 InChI=1/C430031-64-2 21106504

CRC HandbookCCC(CCCC)COC(=O)c1ccccc1 BIS(2-ETH BJQHLKAB -55 InChI=1/C2117-81-7 21106505CN(C)c2ccc(Cc1ccc(cc1)N(C)CBIS(4-DI JNRLEMMI 91.5 InChI=1/C1101-61-1 21106506Cc1cc(C)c(N)cc1C 2,4,5-TrimeBMIPMKQA 68 InChI=1/C9137-17-7 21106508ClC(Cl)C=O DICHLORONWQWQKUX -37.5 InChI=1/C279-02-7 21106511ClCC(=O)CCl 1,3-DICHL SUNMBRGC 45 InChI=1/C3534-07-6 21106513BrC(Br)(Br)C=O TRIBROMOYTGSYRVS -57.5 InChI=1/C2115-17-3 21106514

Merck Index C#CC(C)(O)CC METHYL P QXLPXWSK -31 InChI=1/C677-75-8 21106516Cc1cc(Cl)c(Cl)cc1 3,4-DICHL WYUIWKFI -15.2 InChI=1/C795-75-0 21106517O=C(C)c1cc(N)ccc1 M-AMINOACKQHAYFO 98.5 InChI=1/C899-03-6 21106518Cc1cccnc1 3-METHYLPITQTTZVA -18.1 InChI=1/C6108-99-6 21106520O=Cc1ccccc1F 2-FLUOR-BZWDVQMVZ -44.5 InChI=1/C7446-52-6 21106521c1cccc2OCCc12 2,3-DIHY HBEDSQVI -21.5 InChI=1/C8496-16-2 21106522N#Cc1ccccc1C 2-METHYLBNWPNXBQS -13.5 InChI=1/C8529-19-1 21106523CCc1ccc(N)cc1 P-ETHYLANHRXZRAXK -4.8 InChI=1/C8589-16-2 21106525ClCCCCCCl 1,5-DICHL LBKDGROO -72.8 InChI=1/C5628-76-2 21106526Fc1c(C=O)c(F)c(F)c(F)c1F PENTAFLU QJXCFMJTJ 20 InChI=1/C7653-37-2 21106527Fc1c(F)c(F)c(F)c(N)c1F 2,3,4,5,6 NOXLGCOS 35.5 InChI=1/C6771-60-8 21106528O=C(C)c1ccc(Cl)cc1Cl Ethanone, 1XMCRWEBE 33.5 InChI=1/C82234-16-4 21106529COc1c(OC)c(ccc1OC)C(C)=O 2,3,4-TRI PKNAATJM 15.8 InChI=1/C113909-73-4 21106530Nc1ccc(CCCCCCCC)cc1 4-OctylanilORKQJTBYQ 20 InChI=1/C116245-79-7 21106531N#CC(C)O 2-HYDROXYWOFDVDFS -40 InChI=1/C378-97-7 21106532O=C2OC(=O)c1cc3c(cc12)C( PYROMELLIANSXAPJVJ 152.5 InChI=1/C189-32-7 21106533

CCCC(O)C(CC)CO 2-ETHYL-1 RWLALWYN -40 InChI=1/C894-96-2 21106534ClCC(O)CCl 1,3-DICHL DEWLEGDT -4 InChI=1/C396-23-1 21106535CC(=O)OCCOC(=O)C ETHYLENE JTXMVXST -31 InChI=1/C6111-55-7 21106536CC(=O)OC(C)OC(=O)C 1,1-EthanedACKALUBL 18.9 InChI=1/C6542-10-9 21106538CCc1cccc(CC)c1N 2,6-DIETHYFOYHNROG 3.5 InChI=1/C1579-66-8 21106539Clc1ccc(Cl)c(Cl)c1Cl 1,2,3,4-T GBDZXPJX 47.5 InChI=1/C6634-66-2 21106540Clc1cc(ccc1)C(=O)OC BENZOIC AXRDRKVPN 21 InChI=1/C82905-65-9 21106541CCc1ccncc1 4-ETHYLPYVJXRKZJM -90.5 InChI=1/C7536-75-4 21106560C=CCNCC=C DIALLYLAMDYUWTXWI -88.4 InChI=1/C6124-02-7 21106561CCc1ccc(Br)cc1 1-BROMO-4URFPRAHG -43.5 InChI=1/C81585-07-5 21106562Clc1cc(Cl)c(Cl)c(Cl)c1Cl PENTACHLCEOCDNVZ 86 InChI=1/C6608-93-5 21106570Clc1cc(Cl)c(Cl)c(Cl)c1 1,2,3,5-T QZYNWJQF 54.5 InChI=1/C6634-90-2 21106571

CRC HandbookClc1c([N+]([O-])=O)c(Cl)c(Cl) 2,3,5,6-T XQTLDIFV 99.5 InChI=1/C6117-18-0 21106573CRC HandbookClc1c(cccc1Cl)[N+]([O-])=O 2,3-DICHL CMVQZRLQ 61.5 InChI=1/C63209-22-1 21106574

Clc1cc([N+]([O-])=O)c(Cl)cc1C2,4,5-TRI IBRBMZRL 57.5 InChI=1/C689-69-0 21106575O=[N+]([O-])c2ccccc2c1ccccc2-Nitrobip YOJKKXRJM 37.2 InChI=1/C186-00-0 21106576Clc1ccc(C=O)cc1Cl 3,4-DICHL ZWUSBSHB 44 InChI=1/C76287-38-3 21106577Cc1cc(N)cc(C)c1 3,5-DIMETMKARNSWM 9.8 InChI=1/C8108-69-0 21106578O=[N+]([O-])c1ccc(cc1)C(C)= P-NITROA YQYGPGKT 81.8 InChI=1/C8100-19-6 21106581

CRC CCOCCOCCOCC BIS (2-ETH RRQYJINT -45 InChI=1/C8112-36-7 21106583CC(=O)/C=C/c1ccccc1 METHYL STBWHOZHO 41.5 InChI=1/C1122-57-6 21106584CC(=O)/C=C/c1ccccc1 4-Phenyl-bBWHOZHO 42 InChI=1/C11896-62-4 21106584CN(C)c1ccc(cc1)N(C)C N,N,N',N' CJAOGUFA 51 InChI=1/C1100-22-1 21106585Oc1ccc(cc1OC)C(C)=O Ethanone, DFYRUELU 115 InChI=1/C9498-02-2 21106900Brc1c(C)cc(C)c(Br)c1C BENZENE, CIHJFEWFZ 65.5 InChI=1/C96942-99-0 21107500CNc1ccccc1C(=O)OC Benzoic aciGVOWHGSU 19 InChI=1/C985-91-6 21108245Fc1ccc(I)cc1 Benzene, 1KGNQDBQY -27 InChI=1/C6352-34-1 21108548Fc1cc(F)c(F)cc1F 1,2,4,5-T SDXUIOOH 4.5 InChI=1/C6327-54-8 21108549Fc1ccc(F)cc1 P-DIFLUORQUGUFLJIA -13 InChI=1/C6540-36-3 21108550O=C(C)c1ccc(N)cc1 4-AMINOAGPRYKVSE 106 InChI=1/C899-92-3 21108576COc1ccc(cc1)C(=O)OC P-ANISIC ADDIZAANN 49 InChI=1/C9121-98-2 21108577O=[N+]([O-])c1ccc(cc1)c2ccc P-NITROBI BAJQRLZA 114 InChI=1/C192-93-3 21109008CC(C)(O)C(C)(C)O PINACOL IVDFJHOHA 43 InChI=1/C676-09-5 21109330COc1cc(cc(OC)c1)OC Benzene, 1LKUDPHPH 54.5 InChI=1/C9621-23-8 21111723COc1cc(ccc1)C(C)=O M-METHOXBAYUSCHC 95.5 InChI=1/C9586-37-8 21111758Nc1cccnc1 3-AMINOPYCUYKNJBYI 64.5 InChI=1/C5462-08-8 21111768Nc1cc(Cl)c(Cl)cc1Cl 2,4,5-TRI GUMCAKKK 96.5 InChI=1/C6636-30-6 21111772Cc1cc(C)c(N)c(C)c1 BenzenaminKWVPRPSX -5 InChI=1/C988-05-1 21111773CCOc1ccc(cc1)OCC Benzene, 1VWGNFIQX 72 InChI=1/C1122-95-2 21111774Clc1ccccc1CC#N 1-Chloro-2MRDUURPI 24 InChI=1/C82856-63-5 21111776COc1ccccc1C=O BENZALDEHPKZJLOCL 37.5 InChI=1/C8135-02-4 21111781COC(=O)c1cccnc1 NICOTINICYNBADRVT 42.5 InChI=1/C793-60-7 21111785O=[N+]([O-])c1cc(Br)ccc1 3-BROMO-FWIROFMB 56 InChI=1/C6585-79-5 21111786Fc1cc(F)cc(F)c1 1,3,5-TRI JXUKFFRPL -5.5 InChI=1/C6372-38-3 21111798COc1c(cccc1OC)OC BENZENE, CRUILBNAQ 48.5 InChI=1/C9634-36-6 21111804

CCc1ccccc1Cl BENZENE, CVGAWKYS -82.7 InChI=1/C889-96-3 21111805Fc1cccc(F)c1 M-DIFLUO UEMGWPRH -69 InChI=1/C6372-18-9 21111806Nc1cccc(Cl)c1Cl 2,3-DICHL BRPSAOUFI 24 InChI=1/C6608-27-5 21111810Nc1ccccc1S O-AMINOTVRVRGVPW 26 InChI=1/C6137-07-5 21111815Nc1ccccc1Br O-BROMOAAOPBDRUW 32 InChI=1/C6615-36-1 21111816O=Cc1ccccc1Br BenzaldehyNDOPHXWI 21.5 InChI=1/C76630-33-7 21111817O=Cc1cc(Cl)ccc1 M-CHLOROSRWILAKS 17.5 InChI=1/C7587-04-2 21111819Cc1ccsc1 3-METHYL QENGPZGA -69 InChI=1/C5616-44-4 21111820Cc1ccc(S)cc1 4-METHYLBWLHCBQAP 43 InChI=1/C7106-45-6 21111822Cc1cc(S)ccc1 3-METHYLBWRXOZRLZ -20 InChI=1/C7108-40-7 21111833O=Cc1cc(Cl)ccc1Cl 2,5-Dichlo BUXHYMZ 58 InChI=1/C76361-23-5 21111840N#Cc1cc(N)ccc1 M-AMINOBNJXPYZHX 54.3 InChI=1/C72237-30-1 21111842Oc2ccc(Nc1ccccc1)cc2 PHENOL, 4JTTMYKSF 73 InChI=1/C1122-37-2 21111849O=[N+]([O-])c1cc(Cl)ccc1Cl 2,5-DICHL RZKKOBGF 56 InChI=1/C689-61-2 21111865CCc1ccccc1Br 1-Bromo-2-HVRUGFJY -67.9 InChI=1/C81973-22-4 21111882Brc1ccc(OCC)cc1 Benzene, 1WVUYYXUA 4 InChI=1/C8588-96-5 21111894ClCc1ccccc1CCl Benzene, 1FMGGHNGK 55 InChI=1/C8612-12-4 21111896Clc1cc(Cl)c(C)cc1 2,4-DICHL FUNUTBJJK -13.5 InChI=1/C795-73-8 21111905Fc1ccccc1Cl 1-CHLORO ZCJAYDKW -43 InChI=1/C6348-51-6 21111912COc1ccc(C)c(c1)[N+]([O-])=O4-Methoxy-JBORNNNG 17 InChI=1/C817484-36-5 21111914O=C(C)c1ccc(F)cc1 4-FLUORO ZDPAWHAC -45 InChI=1/C8403-42-9 21112023C=C1C(/CC(O)CC1O)=C\C=C2/1a-HydroxyOFHCOWSQ 136 InChI=1/C241294-56-8 21112029CC(=O)OCC(=O)[C@@]3(O)CCCORTISONEITRJWOMZ 222 InChI=1/C250-04-4 21112101Cc1cc(C)c(Br)c(C)c1 Benzene, 2RRTLQRYO -1 InChI=1/C9576-83-0 21112244N#CCc1ccc2ccccc2c1 Naphthalen-LPCWDVLD 83 InChI=1/C17498-57-9 21112279COc1ccc(C#N)cc1 BENZONITRXDJAAZYH 61.5 InChI=1/C8874-90-8 21112332O=Cc1cccc(C#N)c1 M-CYANOBHGZJJKZP 76.5 InChI=1/C824964-64-5 21112367Fc1cc(F)c(F)c(N)c1F 2,3,5,6-T SPSWJTZN 31.5 InChI=1/C6700-17-4 21112533ClCC(=O)OC(=O)CCl CHLOROACEPNVPNXKR 46 InChI=1/C4541-88-8 21112535BrCc1ccc(CBr)cc1 Benzene, 1RBZMSGOB 144.5 InChI=1/C8623-24-5 21125563Cc1ccnc(C)c1 2,4-DIMETJYYNAJVZF -64 InChI=1/C7108-47-4 21132380ClC(=O)OC(Cl)(Cl)Cl DiphosgenHCUYBXPS -57 InChI=1/C2503-38-8 21154424Nc1ccc(Cl)cc1OC BenzenaminWOXLPNAO 52 InChI=1/C793-50-5 21159424COc1ccc(cc1)C(=O)OCC Benzoic aciFHUODBDR 7.5 InChI=1/C194-30-4 21159425O=[N+]([O-])c1ccc(CC)cc1 4-ETHYLNI RESTWAHJ -12.3 InChI=1/C8100-12-9 21159433Oc2ccc(Cc1ccccc1)cc2 4-HYDROXHJSPWKGE 84 InChI=1/C1101-53-1 21159439C(Nc1ccccc1)c2ccccc2 N-BENZYLAGTWJETSW 37.5 InChI=1/C1103-32-2 21159445O=CCc1ccc(C)cc1 BenzeneaceCIXAYNMK 40 InChI=1/C9104-09-6 21159447

CRC Handbook CCSCCO Ethanol, 2-LNRIEBFN -100 InChI=1/C4110-77-0 21159459O=C(C)Oc1cc(C)ccc1 M-TOLYLACOTGAHJPF 12 InChI=1/C9122-46-3 21159480O=C(C)Oc1cc(C)ccc1 M-METHYLPOTGAHJPF 62 InChI=1/C9621-36-3 21159480Cc1cc(C)c(C)cc1C(=O)C ETHANONE,GENBEGZN 10.5 InChI=1/C1 7/5/2040 21159574Brc1ccc3CCc2cccc1c23 ACENAPHTHQALKJGMG 52 InChI=1/C12051-98-1 21159578Brc1ccc(cc1)N(CC)CC BenzenaminNGYMZFJV 38 InChI=1/C1 6/4/2052 21159579Cc1ccc(C)cc1C(=O)C Ethanone, AWKBVLVK -18.1 InChI=1/C12142-73-6 21159593

COc1cc(ccc1OC)C(=O)OC BENZOIC ABIGQPYZP 60.8 InChI=1/C12150-38-1 21159598O=C(CNc1ccccc1)OCC Glycine, N-MLSGRWDE 58 InChI=1/C12216-92-4 21159611Fc1cc(F)c(F)c(F)c1 1,2,3,5-T UHHYOKRQ -48 InChI=1/C62367-82-0 21159625CC(C)c1ccc(Cl)cc1 Benzene, 1FHBSIIZA -12.3 InChI=1/C92621-46-7 21159680Cc1c(C)cccc1OC 2,3-DimethBLMBNEVG 29 InChI=1/C92944-49-2 21159742N#CCc1ccc(C)cc1 BENZENEACRNHKXHKU 18 InChI=1/C92947-61-7 21159744Cc1cccc2ccoc12 BENZOFURAPHQXPPBIJ 109 InChI=1/C917059-52-8 21160526COc1cc(ccc1OC)C(C)=O Ethanone, IQZLUWLM 51 InChI=1/C11131-62-0 21168556Fc1c(F)c(F)c(F)c(Br)c1F BROMOPENXEKTVXAD -31 InChI=1/C6344-04-7 21168727Fc1ccccc1I Benzene, 1TYHUGKGZ -41.5 InChI=1/C6348-52-7 21168731Fc1cccc(c1)[N+](=O)[O-] 3-FLUORO WMASLRCN 41 InChI=1/C6402-67-5 21168762Fc1ccc(cc1)C(=O)OCC Benzoic aciUMPRJGKL 26 InChI=1/C9451-46-7 21168776Cc1cc(C)cc(C)c1C=O BenzaldehydHIKRJHFHG 14 InChI=1/C1487-68-3 21168786Cc1cccs1 2-METHYL XQQBUAPQ -63.4 InChI=1/C5554-14-3 21168808CN(C)c1cccc(c1)[N+]([O-])=OBENZENAMICJDICMLSL 60.5 InChI=1/C8619-31-8 21168823Clc1ccc(OCC)cc1 Benzene, 1IXLSVQMY 21 InChI=1/C8622-61-7 21168832ClCCOc1ccccc1 Benzene, ( VQUYNUJA 28 InChI=1/C8622-86-6 21168833Ic1cccc(I)c1 1,3-DIIOD SFPQFQUX 40.4 InChI=1/C6626-00-6 21168837ClCc1cccc(CCl)c1 1,3-(BIS- GRJWOKAC 34.2 InChI=1/C8626-16-4 21168838O=Cc1cc(ccc1O)OC 2-Hydroxy FZHSPPYC 4 InChI=1/C8672-13-9 21168855Clc1cc(Cl)cc(Br)c1N 2-BROMO-4DTPADCOG 83.5 InChI=1/C6697-86-9 21168862Fc1c(C)c(F)c(F)c(F)c1F N-METHYLSXPRVMIZF -29.8 InChI=1/C7771-56-2 21168888CC1CCCC2(C)CC3OC(=O)C(=CALANTOLAPXOYOCNN 76 InChI=1/C1546-43-0 21169333

Colfosceril RMBFBWDO 234 InChI=1/C463-89-8 21169349O=C(CC(=O)OCC)C(C)C PENTANOICXCLDSQRV -9 InChI=1/C87152-15-0 21169498O=C(C(Cl)Cl)c1ccccc1 Ethanone, CERJZAHS 20.5 InChI=1/C82648-61-5 21169500C=C(Cl)C#N 2-PropeneniOYUNTGBI -65 InChI=1/C3920-37-6 21169501Brc1cccc(Br)c1N 2,6-DibromXIRRDAWD 87.5 InChI=1/C6608-30-0 21169503Fc1ccc(cc1)c2ccc(F)cc2 4,4'-DIFL PZDAAZQD 94.5 InChI=1/C1398-23-2 21169511O=C(C)c1ccc(O)cc1C 3-Methyl-4IAMNVCJE 128 InChI=1/C9875-59-2 21169891O=[N+]([O-])c1ccccc1CC 2-ETHYLNI PXWYZLWE -12.3 InChI=1/C8612-22-6 21169893COc2ccc(/N=N/c1ccccc1)cc2 (4-METHOXLGCRPKOHR 56 InChI=1/C12396-60-3 21169898

Choline AlfXGPKIOAE 142.5 InChI=1/C828319-77-9 21169903O=C(C)c1ccc(C)cc1O Ethanone, LYKDOWJR 21 InChI=1/C96921-64-8 21170123Clc1ccc(Br)c(Cl)c1 1-Bromo-2,ISHYFWKK 26 InChI=1/C61193-72-2 21170125Oc1cc(ccc1)C(=O)OCC ETHYL-3-H MWSMNBYI 74 InChI=1/C97781-98-8 21170129COC(=O)c2ccccc2C(=O)c1cccBENZOIC ANQSMEZJW 52 InChI=1/C1606-28-0 21170130COCc1ccccc1 BENZYL MEGQKZBCPT -52.6 InChI=1/C8538-86-3 21170543Nc2cccc(Oc1ccccc1)c2 BenzenaminUCSYVYFG 37 InChI=1/C1 12/7/3586 21170956O=C(CCl)c1ccc(Cl)cc1 2,4'-Dichl FWDFNLVL 101.5 InChI=1/C8937-20-2 21170959

CRC (2008) COc1c(Br)cc(Br)cc1Br 2,4,6-TRI YXTRCOAF 88 InChI=1/C7607-99-8 21170966COc1cccc(c1)[N+]([O-])=O M-NITROANWGYFINWE 38.5 InChI=1/C7555-03-3 21170967COc1ccccc1C#N 2-Methoxy-FSTPMFAS 24.5 InChI=1/C86609-56-9 21171387CC(C)(C)c1ccc(Br)cc1 4-tert-But XHCAGOVG 19 InChI=1/C13972-65-4 21171393Fc1c(F)c(F)c(F)c(F)c1OC Benzene, pZRQUIRABL -37 InChI=1/C7389-40-2 21171396

Ic1ccccc1Cl 2-CHLORO MPEOPBCQ 0.7 InChI=1/C6615-41-8 21171406C=CCI 1-Propene,HFEHLDPGI -99.3 InChI=1/C3556-56-9 21171407BrC(CC)CBr 1,2-DIBR CZWSZZHG -65.4 InChI=1/C4533-98-2 21171408Clc1ccc(Cl)c(I)c1 1,4-Dichlo SBHVNORG 22 InChI=1/C629682-41-5 21171496Cc1ccc(cc1C)C(C)=O Ethanone, WPRAXAOJ -3 InChI=1/C1 1/2/3637 21171502Fc1c(F)c(F)c(F)c(I)c1F IodopentafOPYHNLNY -29 InChI=1/C6827-15-6 21171503Fc1c(F)c(F)c(F)c(Br)c1Br 1,2-DibromIPLUWQPT 12 InChI=1/C6827-08-7 21171504Cc1cc(C)c(C)cc1[N+](=O)[O-] 1,3,4-Trim WILMQVBU 71 InChI=1/C9610-91-3 21171505O=C(C)CC(=O)OC(C)C Butanoic acGVIIRWAJD -27.3 InChI=1/C7542-08-5 21171506O=C(CCCCCCCC(=O)OCC)OCCDIETHYL A CQMYCPZZI -18.5 InChI=1/C1624-17-9 21171511CCOc1ccccc1C=O BenzaldehyDUVJMSPT 21 InChI=1/C9613-69-4 21171512O=[N+]([O-])c1ccc(Br)cc1 4-BROMO-ZDFBKZUD 127 InChI=1/C6586-78-7 21171513CC(C)c1ccc(Br)cc1 1-ISOPROPMOZHUOIQ -22.5 InChI=1/C9586-61-8 21171514Cc1cc(Br)c(C)cc1 Benzene, 2QXISTPDU 9 InChI=1/C8553-94-6 21171515CC(C)CC(=O)OC1C(CCCCCC)C(Antimycin WLQPZHLL 149.5 InChI=1/C2642-15-9 21171714CN(C)c1ccccc1N(C)C 1,2-BenzenCJVYYDCBK 8.9 InChI=1/C1704-01-8 21171722O=C(/C=C/c1ccco1)c2ccccc2 3-(2-Furyl BVAGSGSY 47 InChI=1/C1717-21-5 21171723BrCC(C)c1ccccc1 BENZENE, XJWVCWQK -59.3 InChI=1/C91459-00-3 21171858ClCCCOc1ccccc1 (3-Chloro- AZXLOLRTE 12 InChI=1/C9 4/1/3384 21171891COc1cc(ccc1OC)C(=O)OCC 3,4-DimethoAYYNUGSD 43.5 InChI=1/C13943-77-9 21171999Clc1cc(Cl)ccc1OCC 2,4-Dichlo AWPAAILW 32 InChI=1/C85392-86-9 21172138O=[N+]([O-])c1cc(CC)ccc1 1-Ethyl-3- RXAKLPGKS -37.9 InChI=1/C87369-50-8 21172677O=C(COC(C)=O)c1ccccc1 Ethanone, BGAXCPSN 49 InChI=1/C12243-35-8 21241193CC(=O)OC(OC(C)=O)c1ccccc1BENZAL DI XRYSDRCN 46 InChI=1/C1581-55-5 21242158O=[N+]([O-])c1cccc([N+]([O-]Benzene, 2-BPPMIQPX 88 InChI=1/C6606-21-3 21242790ClC(Cl)(Cl)C(O)OCC Ethanol, 2,DLHWKJDY 56.5 InChI=1/C4515-83-3 21242792CCc1ccc(Cl)cc1 BENZENE, GPOFSFLJ -62.6 InChI=1/C8622-98-0 21242799Nc2cccc1cc3ccccc3nc12 4-AMINOACQWAGALBS 108 InChI=1/C1578-07-4 21243528O=C1CC2CCCC(C1)N2C 9-Methyl-9RHWSKVCZ 54 InChI=1/C9552-70-5 21244466Nc1cccc(N)c1N 1,2,3-TRI RUOKPLVT 103 InChI=1/C6608-32-2 21245510Nc1cc(N)c(N)cc1 1,2,4-BEN JSYBAZQQY 97.3 InChI=1/C6615-71-4 21245511Nc2ccccc2c1ccc(N)cc1 2,4'-Biphe RDMFEHLC 54.5 InChI=1/C1492-17-1 21246540OC(CC)C1CCCCN1 Conhydrin VCCAAURN 121 InChI=1/C8495-20-5 21247621CC(C)(C)c1cc(c(C)cc1O)C(C)(CPhenol, 2,4WYSSJDOP 62.1 InChI=1/C1497-39-2 21247670ClC(F)(Cl)c1ccccc1 Benzene, ( OMEURKZG -26.8 InChI=1/C7498-67-9 21257307Nc1ccc(NC)cc1 N-METHYL-VVYWUQOT 36 InChI=1/C7623-09-6 21259528Cc1cc(C)cc(C)c1[N+](=O)[O-] Benzene, 1,SCEKDQTV 44 InChI=1/C9603-71-4 21407855COC(=O)c1ccc(C)cc1C BENZOIC ACQQCLNRPR -2 InChI=1/C123617-71-2 21408853N#CC2(/N=N\C1(CCCCC1)C# 1,1'-AzobisKYIKRXIYL 116 InChI=1/C12094-98-6 21427655C/C(=C\C=C\C(\C)=C\C=C\C=Crocetin PANKHBYN 286 InChI=1/C227876-94-4 21428986Cc2ccc(/N=N/c1ccccc1)cc2 (4-METHYLGIJSVMOP 71.5 InChI=1/C1949-87-1 21506275Brc1cc(Br)c(Br)c(Br)c1 1,2,3,5-T YPFCYPZK 99.5 InChI=1/C6634-89-9 21509304COc2ccccc2Oc1ccccc1OC BENZENE, AGZRBJLA 79.5 InChI=1/C11655-70-5 21510927O=C1OCC3=CCN2CCC(OC(=O)CSeneciphyllFCEVNJIUI 217.5 InChI=1/C1480-81-9 21511627Clc1ccc(cc1)N(CC)CC 1-Chloro-4LVIXJLIXK 45.5 InChI=1/C12873-89-4 21539179

CN(C)c1ccc(Cl)cc1 4-Chloro-(dIONGEXND 35.5 InChI=1/C8698-69-1 21539183CC(=O)C(=C/c1ccccc1)\C(=O ETHYLACETAYZGINZX 60.5 InChI=1/C1620-80-4 23088906O=C2CC(C[C@@H](O)[C@@H]CYCLOHEXIYPHMISFO 119 InChI=1/C166-81-9 23119503Oc3ccc4C[C@@H]2C5CCCC[CCyclorphanNLBUEDSB 188 InChI=1/C24163-15-9 23149299CC5(C)CN5P(=O)(NC(=O)NC1TEPA ADAMQCNMICRE 130 InChI=1/C1103981-98-2 23162301O=C1OCC3=CCN2CCC(OC(=O)CRetrorsine BCJMNZRQ 212 InChI=1/C1480-54-6 23345558CCc1cc(Cl)ccc1 BENZENE, LOXUEGMP -55 InChI=1/C8620-16-6 23346259C=C(C)CC(C)=O ISOMESITYVADUDTKC -72.6 InChI=1/C6 2/3/3744 23350988Cc1ccccc1N(C)C(C)=O o-AcetotolQKIDBCKIV 55.5 InChI=1/C1573-26-2 23351438Cc1c(C)c(C)c(C)c(N)c1C BENZENAMIDCBKKCYNU 152.5 InChI=1/C12243-30-3 24007073Oc1ccc(/C=C/C(=O)CCC)cc1O1-HEXEN-3VLSRREFUC 131.5 InChI=1/C1136944-25-7 24207192CN1C3CC2CC1C(O)C3O2 (2ALPHA,2MEGPURSN 108.5 InChI=1/C8487-27-4 24534715Cc2coc1c(C)c3OC(=O)C(C)=C Trioxsalen BXPHCHMG 234.5 InChI=1/C13902-71-4 24655579CC2(C)CC(O)CC(C)=C2/C=CC(\XanthophylKBPHJBAI 196 InChI=1/C4127-40-2 24748311COc1cc(cc(OC)c1OC)[C@H]3 PODOPHYLYJGVMLPV 183 InChI=1/C2518-28-5 24774779COc1cc(cc(OC)c1)OC2OC(CO)Taxicatin JDTIMXKV 170 InChI=1/C190-71-1 24816786CC(NC)C3CC(OC2C(O)C(OC1OGentamici OBRKFWMS 105 InChI=1/C11403-66-3 24824094

CRC O[C@H]4C21NC(=N)NC(O)C1TetrodotoxCFMYXEVW 225 InChI=1/C14368-28-9 25039495Clc1c(C)c(Cl)cc(Cl)c1O 2,4,6-TRI QTAATZDG 46 InChI=1/C7551-76-8 25999957

sort sort0 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 00 00 00 00 00 01 10 01 10 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 01 10 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 1

0 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 10 00 0

0 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 00 00 00 01 10 01 11 10 01 11 11 11 11 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 0

0 00 00 00 01 10 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 01 10 01 10 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 10 00 01 10 00 00 00 00 00 00 01 10 0

0 00 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 01 11 10 00 00 00 00 00 00 00 00 00 00 00 00 00 01 1

1 11 11 10 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 01 10 00 00 01 10 00 0

0 00 00 01 11 10 00 00 00 00 00 00 00 00 00 00 00 00 00 01 11 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 10 01 10 00 00 00 00 00 00 00 01 11 10 00 00 01 10 01 11 10 00 00 00 00 00 00 00 00 00 0

0 00 01 11 10 00 00 01 11 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 0

0 01 10 00 00 00 00 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 10 00 0

0 00 00 01 11 11 11 10 01 10 01 11 10 00 01 11 11 11 11 11 10 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 10 0

0 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 11 11 10 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 10 00 00 00 01 11 10 01 10 01 11 11 11 11 11 11 1

1 11 10 00 01 10 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 01 11 10 00 01 11 10 01 11 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 00 00 00 00 00 01 11 10 00 00 00 00 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 1

0 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 0

1 10 00 01 10 01 11 10 00 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 11 10 00 00 00 0

0 00 00 00 01 10 00 00 01 11 11 11 10 01 10 00 01 10 00 00 01 10 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 01 10 00 00 00 01 10 0

0 00 00 00 00 00 00 00 00 01 11 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 01 10 00 00 00 00 01 10 00 00 00 01 11 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 0

0 00 00 00 00 01 10 00 00 00 01 10 01 11 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 10 00 01 10 01 10 00 00 00 00 0

0 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 0

0 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 10 00 00 01 10 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 01 10 01 10 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 11 11 11 10 00 00 00 00 00 0

0 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 10 01 10 01 10 00 00 01 10 00 01 10 00 00 00 0

0 01 10 00 00 00 00 00 00 00 00 00 00 01 11 10 00 00 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 01 10 00 00 00 00 00 01 10 00 00 00 00 00 00 00 01 10 00 01 11 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 10 0

0 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 01 10 00 00 00 00 00 00 00 00 01 10 00 00 00 01 10 00 01 10 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 01 11 11 10 0

1 11 10 01 10 01 10 01 10 00 01 10 01 10 00 00 00 00 00 01 11 10 01 11 11 10 01 11 11 11 10 00 00 00 00 00 00 01 10 00 00 00 00 00 00 0

1 11 11 10 01 11 11 10 01 11 11 11 10 00 01 11 11 10 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 01 11 11 10 00 00 00 00 00 00 00 00 0

0 00 00 01 11 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 10 0

0 00 00 01 10 00 00 00 00 00 00 01 10 01 11 11 10 00 01 10 00 01 11 10 00 01 10 00 00 01 11 10 00 00 00 00 00 00 00 01 10 00 00 00 00 0

0 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 10 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 01 10 0

0 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 10 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 01 10 00 00 00 00 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 01 10 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 0

0 00 00 00 00 00 01 10 00 00 01 10 00 00 00 00 01 10 00 01 10 00 00 00 00 00 01 10 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 10 00 01 10 00 00 00 00 00 00 00 01 11 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 01 11 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 01 10 00 01 10 00 00 01 10 00 00 01 10 00 00 01 11 10 00 00 00 00 00 00 00 0

0 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 10 00 0

0 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 10 00 00 0

0 00 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 00 01 10 00 00 00 00 01 10 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 01 11 10 0

0 00 00 00 00 01 10 00 00 00 00 00 00 00 00 01 10 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 01 10 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 10 00 00 00 0

0 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 0

0 01 11 11 10 00 00 00 01 11 10 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 0

0 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 01 10 00 00 00 00 01 10 00 00 00 00 00 00 00 00 01 10 00 00 00 00 00 00 00 00 0

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