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• Vitamin D 3

IUPAC Name: (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol | CAS Registry Number: 67-97-0
Synonyms: cholecalciferol, Vitamin D3, Calciol, Colecalciferol, Ricketon, Trivitan, Vigorsan, Deparal, Colecalcipherol, Arachitol, Delsterol, Vigantol, Quintox, Rampage, Ebivit, Oleovitamin D3, Cholecalciferolum, D3-Vicotrat, D3-Vigantol, FeraCol

Molecular Formula:	C₂₇H₄₄O	Molecular Weight:	384.637660 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: QYSXJUFSXHHAJI-YRZJJWOYSA-N

• Vitamin D3

IUPAC Name: (1S,3Z)-3-[(2E)-2-[(1R,7aR)-1-(5,6-dimethylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol | CAS Registry Number: 511-28-4
Synonyms: Vitamin D4, EINECS 208-127-5, CID6450185, 9,10-Secoergosta-5(Z),7(E),10(19)-trien-3beta-ol, 9,10-Secocholesta-5,7,10(9)-trien-3-ol, 24-methyl-

Molecular Formula:	C₂₈H₄₆O	Molecular Weight:	398.664240 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: DIPPFEXMRDPFBK-MNURULJVSA-N

• Vitamin E

IUPAC Name: 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol | CAS Registry Number: 2074-53-5
Synonyms: alpha-Tocopherol, Evitaminum, Phytogermine, Profecundin, Syntopherol, VITAMIN E, Waynecomycin, Almefrol, Denamone, Emipherol, Etamican, Tokopharm, Vascuals, Vitayonon, Viteolin, Ephynal, Eprolin, Epsilan, Etavit, Ilitia

Molecular Formula:	C₂₉H₅₀O₂	Molecular Weight:	430.706100 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: GVJHHUAWPYXKBD-UHFFFAOYSA-N

• Vitamin E (CAS: 21-59-0)

• Vitamin E Acetate

IUPAC Name: [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] acetate | CAS Registry Number: 7695-91-2
Synonyms: Vitamin E acetate, Ephynal, Contopheron, Tocopherex, Evipherol, Fertilvit, Tocophrin, Alfacol, Ecofrol, Tofaxin, Erevit, Juvela, Vectan, Gevex, Ephynal acetate, Econ, Tocopherol acetate, Tocopheryl acetate, Syntopherol acetate, Combinal E

Molecular Formula:	C₃₁H₅₂O₃	Molecular Weight:	472.742780 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: ZAKOWWREFLAJOT-CEFNRUSXSA-N

• Vitamin K3

IUPAC Name: 2-methylnaphthalene-1,4-dione | CAS Registry Number: 58-27-5
Synonyms: menadione, Thyloquinone, Kayquinone, Menaphthone, Kappaxin, Klottone, Panosine, Kayklot, Kolklot, Kanone, Kipca, menaquinone, Menaphthon, Prokayvit, Aquinone, Kaergona, Kappaxan, Menadion, Mitenone, Aquakay

Molecular Formula:	C₁₁H₈O₂	Molecular Weight:	172.180020 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: MJVAVZPDRWSRRC-UHFFFAOYSA-N

• Warfarin

IUPAC Name: 2-hydroxy-3-(3-oxo-1-phenylbutyl)chromen-4-one | CAS Registry Number: 81-81-2
Synonyms: warfarin, Coumafene, Prothromadin, Coumadin, Coumafen, Rattentraenke, Coumefene, Panwarfin, Rodafarin, Brumolin, Kypfarin, Rattunal, Solfarin, Warfarat, Dethmor, Dethnel, Kumader, Maveran, Ratorex, Kumadu

Molecular Formula:	C₁₉H₁₆O₄	Molecular Weight:	308.327940 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: QTXVAVXCBMYBJW-UHFFFAOYSA-N

• XMC

IUPAC Name: (3,5-dimethylphenyl) N-methylcarbamate | CAS Registry Number: 2655-14-3
Synonyms: Maqbarl, Cosban, Macbal, Carbaron, Maqbal, XMC (pesticide), 3,5-Xmc, 3,5-Xylyl N-methylcarbamate, 3,5-Xylenol, methylcarbamate, 3,5-Xylenyl N-methylcarbamate, XMC (VAN), N-Methyl-3,5-xylyl carbamate, 3,5-XYLYL METHYLCARBAMATE, 3,5-Dimethylphenyl Methylcarbamate, 3,5-Dimethylphenyl N-methylcarbamate, DRC 3340, HSDB 6748, Carbamic acid, methyl-, 3,5-xylyl ester, Methylcarbamic acid 3,5-xylyl ester, WLN: 1MVOR C1 E1

Molecular Formula:	C₁₀H₁₃NO₂	Molecular Weight:	179.215720 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: CVQODEWAPZVVBU-UHFFFAOYSA-N

• Zinc Gluconate

IUPAC Name: zinc (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate | CAS Registry Number: 4468-02-4
Synonyms: ZINC GLUCONATE, AIDS002622, AIDS-002622, Zinc, bis(D-gluconato-kO1,kO2)-

Molecular Formula:	C₁₂H₂₂O₁₄Zn	Molecular Weight:	455.703680 [g/mol]
H-Bond Donor:	10	H-Bond Acceptor:	14

InChIKey: WHMDKBIGKVEYHS-IYEMJOQQSA-L

• Zinc Oxide

IUPAC Name: oxozinc | CAS Registry Number: 1314-13-2
Synonyms: ZINC OXIDE, Supertah, Ziradryl, Nogenol, Outmine, Zincite, Zincoid, Amalox, Azodox, Ozide, Ozlo, Zinc monoxide, Permanent White, Zinc gelatin, Zincum Oxydatum, Chinese White, Snow white, Zinci Oxicum, Zinci Oxydum, Flores de zinci

Molecular Formula:	OZn	Molecular Weight:	81.408400 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: XLOMVQKBTHCTTD-UHFFFAOYSA-N

• Zineb

IUPAC Name: zinc N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate | CAS Registry Number: 12122-67-7
Synonyms: Clortocaffaro, Bombardier, Tritoftorol, Aaphytora, Aphytora, Blightox, Carbadine, Cynkotox, Deikusol, Ditiamina, Hexathane, Kupratsin, Perozine, Taloberg, Zebenide, ZINEB, Asporum, Bercema, Blizene, Crittox

Molecular Formula:	C₄H₆N₂S₄Zn	Molecular Weight:	275.772840 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: AMHNZOICSMBGDH-UHFFFAOYSA-L

• 6-Benzylaminopurine

IUPAC Name: N-(phenylmethyl)-7H-purin-6-amine | CAS Registry Number: 1214-39-7
Synonyms: N-Benzyladenine, Benzyladenine, N6-Benzyladenine, 6-Benzyladenine, Benzylaminopurine, Cytokinin B, Adenine, N-benzyl-, 6-(Benzylamino)purine, Pro-Shear, 6-Benzyl adenine, BAP (cytokinin), BA (Growth stimulant), N(6)-Benzylaminopurine, BAP (growth stimulant), Prestwick_414, Aminopurine, 6-benzyl, Caswell No. 081EE, Verdan senescence inhibitor, N(sup 6)-Benzyladenine, Benzyl(purin-6-yl)amine

Molecular Formula:	C₁₂H₁₁N₅	Molecular Weight:	225.249240 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: NWBJYWHLCVSVIJ-UHFFFAOYSA-N

• (+)-6-Methoxy-Alpha-Methyl-2-Naphthaleneacetic Acid

IUPAC Name: (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | CAS Registry Number: 22204-53-1
Synonyms: NAPROXEN, Equiproxen, Laraflex, Calosen, Reuxen, Bonyl, Axer, d-Naproxen, Novonaprox, Rheumaflex, Saritilron, Acusprain, Anexopen, Arthrisil, Artrixen, Artroxen, Bipronyl, Clinosyn, Danaprox, Flexipen

Molecular Formula:	C₁₄H₁₄O₃	Molecular Weight:	230.259160 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: CMWTZPSULFXXJA-VIFPVBQESA-N

• 1,3,4,5-Tetrachloro-2,6-Dicyanobenzene

IUPAC Name: 2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile | CAS Registry Number: 1897-45-6
Synonyms: Daconil, CHLOROTHALONIL, Bravo, Chloroalonil, Terraclactyl, Clortosip, Dacosoil, Exotherm, Nopcocide, Forturf, Repulse, Termil, Faber, Sweep, Exotherm termil, m-Tcpn, Clortocaf ramato, Daconil Flowable, meta-TCPN, Chlorothanonil

Molecular Formula:	C₈Cl₄N₂	Molecular Weight:	265.911000 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: CRQQGFGUEAVUIL-UHFFFAOYSA-N

• 1,5-Di-(2,4-dimethylphenyl)-3-methyl-1,3,5-triazapenta-1,4-diene

IUPAC Name: N'-(2,4-dimethylphenyl)-N-[(2,4-dimethylphenyl)iminomethyl]-N-methylmethanimidamide | CAS Registry Number: 33089-61-1
Synonyms: AMITRAZ, Mitac, Mitaban, Triazid, Taktic, Azadieno, Azaform, Ectodex, Edrizar, Acarac, Bipin, Amitraz estrella, Fumilat A, BAAM, Amitraze [French], Mitaban (Veterinary), Caswell No. 374A, Amitrazum [INN-Latin], Upjohn U-36059, Amitraz (USP/INN)

Molecular Formula:	C₁₉H₂₃N₃	Molecular Weight:	293.406020 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: QXAITBQSYVNQDR-UHFFFAOYSA-N

• 1H-Benzimidazol-2-Ylcarbamic Acid Methyl Ester

IUPAC Name: methyl N-(1H-benzimidazol-2-yl)carbamate | CAS Registry Number: 10605-21-7
Synonyms: Carbendazim, Carbendazole, Mecarzole, Carbendazime, Carbendazol, Bavistin, Thicoper, Derosal, Funaben, Carbendazym, Equitdazin, Falicarben, Pillarstin, Supercarb, Bavistan, Fungisol, Garbenda, Kemdazin, Medamine, Triticol

Molecular Formula:	C₉H₉N₃O₂	Molecular Weight:	191.186660 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: TWFZGCMQGLPBSX-UHFFFAOYSA-N

• 1-Naphthyl-N-Methylcarbamate

IUPAC Name: naphthalen-1-yl N-methylcarbamate | CAS Registry Number: 63-25-2
Synonyms: Carbaril, Sevin, CARBARYL, Karbaspray, Carylderm, Menaphtam, Tricarnam, Caprolin, Carbatox, Carbavur, Carpolin, Dicarbam, Karbatox, Karbosep, Arilate, Denapon, Gamonil, Hexavin, Seffein, Septene

Molecular Formula:	C₁₂H₁₁NO₂	Molecular Weight:	201.221240 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: CVXBEEMKQHEXEN-UHFFFAOYSA-N

• 1-Tert-Butyl-2-(4-Chlorobenzyl)-2-(1,2,4-Triazol-1-Yl)-Ethanol

IUPAC Name: (3R)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol; (3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol | CAS Registry Number: 76738-62-0
Synonyms: Paclobutrazol, Friazole, Clipper, Trimmit, Cultar, Parlay, Bonzi, Duo Xiao Zuo, Clipper 50WP, Caswell No. 628C, ICI-PP 333, Paclobutrazol [ANSI:BSI:ISO], EINECS 266-325-7, PP 333, EPA Pesticide Chemical Code 125601, LS-155977, alpha-tert-Butyl-beta-((4-chlorophenyl)methyl)-1H-triazol-1-ethanol, (2RS,3RS)-1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol, (2RS,3RS)-1-(4-Chlorophenyl)-4,4-dimethyl-2-1,2,4-triazol-1-yl pentan-3-ol, beta-((4-Chlorophenyl)methyl)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol

Molecular Formula:	C₃₀H₄₀Cl₂N₆O₂	Molecular Weight:	587.583600 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	8

InChIKey: GHGCUYKTGPFCTK-LZOIJMLOSA-N

• 2 3-Dichloro-1 4-Napthaquinone

IUPAC Name: 2,3-dichloronaphthalene-1,4-dione | CAS Registry Number: 117-80-6
Synonyms: Diclone, Sanquinon, Algistat, Uniroyal, Phygon, Quintar, Phygon paste, Phygon XL, DICHLONE, Dichlon, Compound 604, Dichloronaphthoquinone, Phygon seed protectant, 2,3-Dichloronaphthoquinone, Quintar 540F, U.s. rubber 604, Caswell No. 298, US Rubber 604, Dichlone [BSI:ISO], Latka 604 [Czech]

Molecular Formula:	C₁₀H₄Cl₂O₂	Molecular Weight:	227.043560 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: SVPKNMBRVBMTLB-UHFFFAOYSA-N

• 2-(1-Methylethoxy)-Phenyl Methylcarbamate

IUPAC Name: (2-propan-2-yloxyphenyl) N-methylcarbamate | CAS Registry Number: 114-26-1
Synonyms: propoxur, Baygon, Aprocarb, Sendran, Propoxylor, Blattanex, Blattosep, Mrowkozol, Propotox, Propoxure, Isocarb, Propyon, Suncide, Boruho, Brygou, Rhoden, Tendex, Bifex, Bolfo, Dalf dust

Molecular Formula:	C₁₁H₁₅NO₃	Molecular Weight:	209.241700 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: ISRUGXGCCGIOQO-UHFFFAOYSA-N

• 2-(Dimethylamino)-5,6-Dimethyl-4-Pyrimidinyidimethylcarbamate

IUPAC Name: [2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl] N,N-dimethylcarbamate | CAS Registry Number: 23103-98-2
Synonyms: PIRIMICARB, Pirimor, Pyrimor, Primicarbe, Aficida, Fernos, Aphox, Rapid, Pirimor G, Pirimor granulate, ABOL, Pirimor 50 DP, ZZ-Aphox, Pirimicarb solution, Caswell No. 359C, Pirimicarbe [ISO-French], PS757_SUPELCO, Pirimicarb [ANSI:BSI:ISO], HSDB 7005, TPC-PC001

Molecular Formula:	C₁₁H₁₈N₄O₂	Molecular Weight:	238.286220 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: YFGYUFNIOHWBOB-UHFFFAOYSA-N

• 2,2-Dichlorovinyl Dimethyl Phosphate (DDVP)

IUPAC Name: 2,2-dichloroethenyl dimethyl phosphate | CAS Registry Number: 62-73-7
Synonyms: dichlorvos, Dichlorphos, Dichlorophos, Divipan, Atgard, Vapona, Chlorvinphos, Dichlorman, Dichlorovos, Lindanmafu, Szklarniak, Vinylophos, Winylophos, Krecalvin, Vinylofos, Brevinyl, Canogard, Equigard, Estrosel, Vaponite

Molecular Formula:	C₄H₇Cl₂O₄P	Molecular Weight:	220.975741 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: OEBRKCOSUFCWJD-UHFFFAOYSA-N

• 2,3-Dihydro-2,2-Dimethyl-7-Benzofuranol Methylcarbamate

IUPAC Name: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate | CAS Registry Number: 1563-66-2
Synonyms: carbofuran, Furadan, Curaterr, Yaltox, Carbofurane, Pillarfuran, Crisfuran, Kenofuran, Chinufur, Furacarb, Brifur, Furadan 3G, Furodan, Furadan G, Furadan 4f, Karbofuranu [Polish], Niagara 10242, Caswell No. 160A, Niagara nia-10242, Spectrum_001895

Molecular Formula:	C₁₂H₁₅NO₃	Molecular Weight:	221.252400 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: DUEPRVBVGDRKAG-UHFFFAOYSA-N

• 2-[(1,1-Dimethylethyl)-Imino]-Tetrehydro-3-(1-Methylethyl)-5-Phenyl-4H-1,3,5-Thiadiazin-4- One

IUPAC Name: 2-tert-butylimino-5-phenyl-3-propan-2-yl-1,3,5-thiadiazinan-4-one | CAS Registry Number: 69327-76-0
Synonyms: Applaud, BUPROFEZIN, Buprofezine, (E)-buprofezin, (Z)-buprofezin, Buprofezin [BSI:ISO], Buprofezine [ISO-French], Buprofezine [ISO-French], NNI 750, 37886_RIEDEL, CHEBI:3218, PP618, CHEBI:39380, CHEBI:39381, CID50367, BRN 1010518, AI3-29749, NCGC00163828-01, NCGC00163828-02, NCGC00163828-03

Molecular Formula:	C₁₆H₂₃N₃OS	Molecular Weight:	305.438320 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: PRLVTUNWOQKEAI-UHFFFAOYSA-N

• 2-Aminoethylsulphonic Acid

IUPAC Name: 2-aminoethanesulfonic acid | CAS Registry Number: 107-35-7
Synonyms: taurine, tauphon, 2-aminoethanesulfonic acid, L-Taurine, taufon, 2-Sulfoethylamine, O-Due, Taukard, Taurinum [Latin], Aminoethanesulfonic acid, Taurina [Spanish], Taurine [INN], 2-Aminoethylsulfonic acid, aminoethylsulfonic acid, Taurine (TN), beta-Aminoethylsulfonic acid, Taurine (8CI), aminoetylsulphonic acid, 2-aminoethyl sulfonate, ethylaminesulphonic acid

Molecular Formula:	C₂H₇NO₃S	Molecular Weight:	125.146880 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: XOAAWQZATWQOTB-UHFFFAOYSA-N

• 2-Bromo-2-Nitro-1,3-Propanediol

IUPAC Name: 2-bromo-2-nitropropane-1,3-diol | CAS Registry Number: 52-51-7
Synonyms: bronopol, Bronocot, Bronosol, Bronidiol, Bronotak, Lexgard bronopol, Onyxide 500, Bronopolu [Polish], Caswell No. 116A, Bronopolum [INN-Latin], 2-Bromo-2-nitro-1,3-propanediol, 2-Bromo-2-nitropropane-1,3-diol, C3H6BrNO4, WLN: WNXE1Q1Q, 1,3-Propanediol, 2-bromo-2-nitro-, Bronopol [BAN:INN:JAN], Bronopol [INN:BAN:JAN], 2-Nitro-2-bromo-1,3-propanediol, Bronopol (JAN/USAN/INN), HSDB 7195

Molecular Formula:	C₃H₆BrNO₄	Molecular Weight:	199.988040 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: LVDKZNITIUWNER-UHFFFAOYSA-N

• 2-Hydroxy-4-Methoxy Benzophenone-5-Sulphonic Acid

IUPAC Name: 5-(benzoyl)-4-hydroxy-2-methoxybenzenesulfonic acid | CAS Registry Number: 4065-45-6
Synonyms: Sulisobenzone, Sungard, Sulisobenzona, Sulisobenzonum, Uvinul, Uval, Benzophenone 4, Benzophenone-4, Uval sodium salt, Uvinuc ms 40, Seesorb 101S, Syntase 230, Uvinul MS 40, UV Absorber HMBS, Sungard (TN), HMBS, SULISOBENZENE, Uvinul MS-40 substanz, Spectra-Sorb UV 284, Uval (*sodium salt*)

Molecular Formula:	C₁₄H₁₂O₆S	Molecular Weight:	308.306480 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: CXVGEDCSTKKODG-UHFFFAOYSA-N

• 2-Isopropylphenyl-N-Methylcarbamate

IUPAC Name: (2-propan-2-ylphenyl) N-methylcarbamate | CAS Registry Number: 2631-40-5
Synonyms: Isoprocarb, Etrofolan, Mipcine, Mipcin, Hytox, Isoprocarbe, Mipsin, MIPC, o-Cumenyl methylcarbamate, o-Cumenyl N-methylcarbamate, Caswell No. 512B, Isoprocarb [BSI:ISO], PPC 3, Bayer 39731, Isoprocarbe [ISO-French], Isopropylphenol methylcarbamate, o-Isopropylphenol methylcarbamate, o-Isopropylphenyl methylcarbamate, 2-Isopropylphenyl methylcarbamate, o-Isopropylphenyl N-methylcarbamate

Molecular Formula:	C₁₁H₁₅NO₂	Molecular Weight:	193.242300 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: QBSJMKIUCUGGNG-UHFFFAOYSA-N

• 2-Sec-Butylphenyl-N-Methylcarbamate

IUPAC Name: (2-butan-2-ylphenyl) N-methylcarbamate | CAS Registry Number: 3766-81-2
Synonyms: Fenobucarb, Baycarb, Fenobcarb, Barizon, Carvil, Hopcin, Bassa, Osbac, BPMC, Geocarb 50EC, Fenobucarb [BSI:ISO], Bayer 41367C, Bayer 41637, 2-Butylphenyl methylcarbamate, 2-sec-Butylphenyl methylcarbamate, 2-sec-Butylphenyl N-methylcarbamate, PS1046_SUPELCO, o-sec-Butylphenyl methylcarbamate, 45488_RIEDEL, CHEBI:34304

Molecular Formula:	C₁₂H₁₇NO₂	Molecular Weight:	207.268880 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: DIRFUJHNVNOBMY-UHFFFAOYSA-N

• 2-Tert-Butyl-5-(4-Tert-Butylbenzylthio)-4-Chloropyridazin-3-(2H)-One

IUPAC Name: 2-tert-butyl-5-[(4-tert-butylphenyl)methylsulfanyl]-4-chloropyridazin-3-one | CAS Registry Number: 96489-71-3
Synonyms: Pyridaben, Sanmite, Pyridaben [ISO], HSDB 7052, MLS001165698, NCI 129, 46047_RIEDEL, CHEBI:38626, KS-1098, NCGC00164309-01, NCGC00164309-02, SMR000550490, EE4057003, LS-129791, C428725, 2-tert-Butyl-5-(4-tert-butyl-benzylthio)-4-chloropyridazin-3(2H)-one, 2-tert-butyl-5-[(4-tert-butylbenzyl)thio]-4-chloropyridazin-3(2H)-one, 2-tert-Butyl-5-[(4-tert-butylbenzyl)sulfanyl]-4-chloro-3(2H)-pyridazinone, 3(2H)-Pyridazinone, 4-chloro-2-(1,1-dimethylethyl)-5-(((4-(1,1-dimethylethyl)phenyl)methyl)thio)-, 4-chloro-2-(1,1-dimethylethyl)-5-(((4-(1,1-dimethylethyl)phenyl)methyl)thio)-3(2H)-pyridazinone

Molecular Formula:	C₁₉H₂₅ClN₂OS	Molecular Weight:	364.932600 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: DWFZBUWUXWZWKD-UHFFFAOYSA-N

• 3-(2,2-Dichloroethenyl)-2,2-Dimethylcyclopropanecarboxylic Acid (3-Phenoxyphenyl)-Methyl Ester

IUPAC Name: [3-(phenoxy)phenyl]methyl (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate | CAS Registry Number: 52645-53-1
Synonyms: Permethrin, Elimite, Permethrine, Ambushfog, Chinetrin, Efmethrin, Imperator, Indothrin, Outflank, Permasect, Perthrine, Pynosect, Stomoxin, Stomozan, Acticin, Corsair, Dragnet, Ecsumin, Ectiban, Kaleait

Molecular Formula:	C₂₁H₂₀Cl₂O₃	Molecular Weight:	391.287700 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: RLLPVAHGXHCWKJ-HKUYNNGSSA-N

• 3-(2,2-Dichloroethenyl)-2,2-Dimethylcyclopropanecarboxylic Acid Cyano-(3-Phenoxyphenyl)-Methyl Ester

IUPAC Name: [cyano-[3-(phenoxy)phenyl]methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate | CAS Registry Number: 52315-07-8
Synonyms: cypermethrin, Cypermethrine, Asymmethrin, Cymperator, Cypercopal, Hilcyperin, Neramethrin, Agrothrin, Barricade, Basathrin, Creokhin, Cypercare, Cyperkill, Cypersect, Flectron, Kreokhin, Polytrin, Chinmix, Cymbush, Cyperco

Molecular Formula:	C₂₂H₁₉Cl₂NO₃	Molecular Weight:	416.297160 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: KAATUXNTWXVJKI-UHFFFAOYSA-N

• 3-(Dimethoxyphosphinyloxy)-N-Methyl Cis-Crotonamide

IUPAC Name: dimethyl [(E)-4-(methylamino)-4-oxobut-2-en-2-yl] phosphate | CAS Registry Number: 6923-22-4
Synonyms: Azodrin, Nuvacron, MONOCROTOPHOS, Pillardrin, Aimocron, Biloborn, Bilobran, Corophos, Crisodrin, Hazodrin, Monocron, Monodrin, Monostar, Parryfos, Plantdrin, Apadrin, Monocil, Crotos, Pandar, Susvin

Molecular Formula:	C₇H₁₄NO₅P	Molecular Weight:	223.163521 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: KRTSDMXIXPKRQR-AATRIKPKSA-N

• 3,6-Dihydroxypyridazine

IUPAC Name: 1,2-dihydropyridazine-3,6-dione | CAS Registry Number: 123-33-1
Synonyms: Vondalhyde, Antergon, Antyrost, Malazide, Stuntman, Regulox, Vondrax, Malzid, Retard, MALEIC HYDRAZIDE, Sprout/off, Maleic hydrazine, De-sprout, Sucker-Stuff, Super-de-sprout, Sprout-Stop, Burtolin, Chemform, Unriprim, Milurit

Molecular Formula:	C₄H₄N₂O₂	Molecular Weight:	112.086760 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: BGRDGMRNKXEXQD-UHFFFAOYSA-N

• 3-Pyridine Carboxamide

IUPAC Name: pyridine-3-carboxamide | CAS Registry Number: 98-92-0
Synonyms: nicotinamide, niacinamide, vitamin PP, 3-Pyridinecarboxamide, Aminicotin, Amixicotyn, Papulex, Nikotinamid, Savacotyl, Endobion, Hansamid, Nicobion, vitamin B3, Benicot, Dipegyl, Pelmine, Delonin amide, Pelonin amide, Nicotililamido, Nicosylamide

Molecular Formula:	C₆H₆N₂O	Molecular Weight:	122.124640 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: DFPAKSUCGFBDDF-UHFFFAOYSA-N

• 4-Methylmercapto-3-Methylphenyldimethylthiophosphate

IUPAC Name: dimethoxy-(3-methyl-4-methylsulfanylphenoxy)-sulfanylidene-$l^{5}-phosphane | CAS Registry Number: 55-38-9
Synonyms: fenthion, Mercaptophos, Baytex, Lebaycid, Sulfidophos, Fenthione, Phenthion, Queletox, Figuron, Spotton, Talodex, Tiguvon, Baycid, Entex, Fenthion-methyl, Mercaptofos, Bay-Bassa, Lebayeid, Thiophos, Spotten

Molecular Formula:	C₁₀H₁₅O₃PS₂	Molecular Weight:	278.328061 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: PNVJTZOFSHSLTO-UHFFFAOYSA-N

• 5-Methyl-1,2,4-Triazole [3,4-B]Benzothiazole

IUPAC Name: 8-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole | CAS Registry Number: 41814-78-2
Synonyms: Tricyclazone, Blascide, Pilarblas, Trizole, Tizole, Sivic, Beam, Tricyclazol, TRICYCLAZOLE, Blas-T, Elanco 291, Caswell No. 884C, Tricyclazole [ANSI:BSI:ISO], C9H7N3S, 45808_RIEDEL, EINECS 255-559-5, EL-291, EPA Pesticide Chemical Code 120201, BRN 0980261, s-Triazolo(3,4-b)benzothiazole, 5-methyl-

Molecular Formula:	C₉H₇N₃S	Molecular Weight:	189.236980 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: DQJCHOQLCLEDLL-UHFFFAOYSA-N

• 6-Ethoxy-2,2,4-Trimethyl-1,2-Dihydroquinoline

IUPAC Name: 6-ethoxy-2,2,4-trimethyl-1H-quinoline | CAS Registry Number: 91-53-2
Synonyms: ethoxyquin, Santoquin, Ethoxyquine, Santoquine, Niflex, Antioxidant EC, Santoflex A, Santoflex AW, Stop-Scald, Dawe's nutrigard, Nix-Scald, Nocrack AW, Quinol ED, Aries Antox, Niflex D, Antage AW, Nocrac AW, Permanax 103, Alterungsschutzmittel EC, Ethoxyquin [ISO]

Molecular Formula:	C₁₄H₁₉NO	Molecular Weight:	217.306760 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: DECIPOUIJURFOJ-UHFFFAOYSA-N

• 1-Deoxynojirimycin

IUPAC Name: (2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol | CAS Registry Number: 19130-96-2
Synonyms: 1-DEOXYNOJIRIMYCIN, 1oim, 1-Deoxymannojirimycin, 1-Deoxy-Nojirimycin, nchembio.81-comp10, 1-deoxynojirimycin (DNJ), Bay n 5595, BSPBio_000993, 1,5-Deoxy-1,5-imino-D-mannitol, C6H13NO4, 2j77, AIDS000139, Bio1_000415, Bio1_000904, Bio1_001393, AIDS-000139, 1,5-Dideoxy-1,5-imino-D-glucitol, SMP2_000333, NCGC00025085-02, NCGC00025085-03

Molecular Formula:	C₆H₁₃NO₄	Molecular Weight:	163.171720 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	5

InChIKey: LXBIFEVIBLOUGU-JGWLITMVSA-N

• 2-phenylphenol (CAS: 588-78-1)