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• Trimetazidine

IUPAC Name: 1-[(2,3,4-trimethoxyphenyl)methyl]piperazine | CAS Registry Number: 5011-34-7
Synonyms: Vasartel, TRIMETAZIDINE, Trimetazidinum [INN-Latin], Prestwick0_000549, Prestwick1_000549, Prestwick2_000549, Prestwick3_000549, Trimetazidina [INN-Spanish], Oprea1_279550, BSPBio_000597, MLS001331735, SPBio_002518, BPBio1_000657, Trimetazidine [BAN:DCF:INN], Trimetazidine [INN:BAN:DCF], 1-(2,3,4-Trimethoxybenzyl)piperazine, EINECS 225-690-2, C14H22N2O3, ALBB-004703, SBB007020

Molecular Formula:	C₁₄H₂₂N₂O₃	Molecular Weight:	266.336080 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: UHWVSEOVJBQKBE-UHFFFAOYSA-N

• Trimethoprim

IUPAC Name: 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine | CAS Registry Number: 738-70-5
Synonyms: trimethoprim, Proloprim, Trimpex, Monotrimin, Bactramin, Monotrim, Syraprim, Trimopan, Veltrim, Sulfamethoprim, Briscotrim, Novotrimel, Streptoplus, Sulfoxaprim, Urobactrim, Wellcoprim, Wellcoprin, Antrimox, Bacterial, Bacticel

Molecular Formula:	C₁₄H₁₈N₄O₃	Molecular Weight:	290.317720 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	7

InChIKey: IEDVJHCEMCRBQM-UHFFFAOYSA-N

• Triphenylstannic Hydroxide

IUPAC Name: tri(phenyl)tin hydrate | CAS Registry Number: 76-87-9
Synonyms: Triphenylstannanol, Erithane, Fenolovo, Tenhide, Tubotin, Tptoh, Duter extra, Vancide ks, Hydroxytriphenyltin, Triphenyltin hydroxide, Haitin, Triphenyltin oxide, Tpth Technical, Phenostat-H, Du-Ter, Sunitron H, Suzu H, Fentin, Dowco 186, Duter

Molecular Formula:	C₁₈H₁₇OSn	Molecular Weight:	368.036980 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: NRHFWOJROOQKBK-UHFFFAOYSA-N

• Triphenyltin Acetate

IUPAC Name: tri(phenyl)stannyl acetate | CAS Registry Number: 900-95-8
Synonyms: Fentin acetate, Brestan, Phentin acetate, Phentinoacetate, Fentinacetat, Liromatin, Lirostanol, Tinestan, Batasan, Tubotin, Suzu, Fenolovo acetate, Phenostat A, Brestan 60, Fentine acetate, Fentin acetaat, Fintin acetato, Acetoxytriphenyltin, Fentin acetat, Acetoxytriphenylstannane

Molecular Formula:	C₂₀H₁₈O₂Sn	Molecular Weight:	409.065720 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: WDQNIWFZKXZFAY-UHFFFAOYSA-M

• Triticonazole

IUPAC Name: (5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol | CAS Registry Number: 131983-72-7
Synonyms: 34172_RIEDEL, 34172_FLUKA, CID6537961, NCGC00164461-01, NCGC00168342-01, (5E)-5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol, (RS)-(E)-5-(4-Chlorobenzylidene)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol

Molecular Formula:	C₁₇H₂₀ClN₃O	Molecular Weight:	317.813200 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: PPDBOQMNKNNODG-NTEUORMPSA-N

• Tylosin phosphate

IUPAC Name: 2-[(1R,3R,5E,7E,9R,10R,14R,15S,16S)-16-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-ethyl-14-hydroxy-9-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-3,7,15-trimethyl-4,12-dioxo-11-oxacyclohexadeca-5,7-dien-1-yl]acetaldehyde; phosphoric acid | CAS Registry Number: 1405-53-4
Synonyms: Farmazin TB, Tylosin, phosphate (salt), EINECS 215-779-4, CID6440844, LS-158238

Molecular Formula:	C₄₆H₈₀NO₂₁P	Molecular Weight:	1014.095261 [g/mol]
H-Bond Donor:	8	H-Bond Acceptor:	22

InChIKey: NBOODGNJLRRJNA-IAGPQMRQSA-N

• Tylosin tartrate

IUPAC Name: 2,3-dihydroxybutanedioic acid;2-[6-[(2R)-5-[(2R,4R)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde | CAS Registry Number: 74610-55-2
Synonyms: tylosin tartrate

Molecular Formula:	C₅₀H₈₃NO₂₃	Molecular Weight:	1066.200 [g/mol]
H-Bond Donor:	9	H-Bond Acceptor:	24

InChIKey: ICVKYYINQHWDLM-AJUJHWAHSA-N

• Uniconazole

IUPAC Name: (E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol | CAS Registry Number: 83657-22-1
Synonyms: Uniconazole-P, Sumagit, Uniconazole [ISO], XE-1019D Technical, Ortho Prunit Tree Growth Regulator, XE 1019D, CHEBI:38000, EPA Pesticide Chemical Code 128976, S 3307D, BRN 0662790, LS-155978, 5-26-01-00166 (Beilstein Handbook Reference), 1H-1,2,4-Triazole-1-ethanol, beta-((4-chlorophenyl)methylene)-alpha-(1,1-dimethylethyl)-, (E)-(+-)-, (1E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol, (E)-(+-)-beta-((4-chlorophenyl)methylene)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol, 1H-1,2,4-Triazole-1-ethanol, beta-((4-chlorophenyl)methylene)-alpha-(1,1-dimethylethyl)-, (betaE)-, 76714-83-5

Molecular Formula:	C₁₅H₁₈ClN₃O	Molecular Weight:	291.775920 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: YNWVFADWVLCOPU-MDWZMJQESA-N

• Valerate

IUPAC Name: [2-oxo-2-[(2S,4S)-2,4,5,12-tetrahydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] pentanoate

Molecular Formula:	C₂₆H₂₆O₁₀	Molecular Weight:	498.478640 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	10

InChIKey: IVNIGSFXMGPCOA-RXBISOJRSA-N

• Validamycin

IUPAC Name: (2R,3R,4S,5S,6R)-2-[(1R,2R,3S,4S,6R)-2,3-dihydroxy-6-(hydroxymethyl)-4-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol | CAS Registry Number: 37248-47-8
Synonyms: Validacin, Valimon, VALIDAMYCIN A, CID443629, C12112

Molecular Formula:	C₂₀H₃₅NO₁₃	Molecular Weight:	497.490800 [g/mol]
H-Bond Donor:	12	H-Bond Acceptor:	14

InChIKey: JARYYMUOCXVXNK-CSLFJTBJSA-N

• Valnemulin hydrochloride

Synonyms: Valnemulin HCl, UNII-W1GDP58BNQ, SureCN1457012, S4216,133868-46-9

Molecular Formula:	C₃₁H₅₃ClN₂O₅S	Molecular Weight:	601.280920 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	7

InChIKey: MFBPRQKHDIVLOJ-AFFLPQGKSA-N

• Valone

IUPAC Name: 2-(3-methylbutanoyl)indene-1,3-dione | CAS Registry Number: 83-28-3
Synonyms: Isoval, Isovaleryl indandione, VALONE, Caswell No. 515, Motomco tracking powder, 2-Isovaleryl-1,3-indandione, 2-Isovalerylindan-1,3-dione, 2-Isovaleryl-1,3-indanedione, 2-Isopentanoyl-1,3-indanedione, 1,3-Indandione, 2-isovaleryl-, 2-Isovalerylindane-1,3-dione, HSDB 7118, EINECS 201-464-9, CID6733, NSC5754, MolPort-000-873-205, EPA Pesticide Chemical Code 067702, NSC 404427, BRN 2116374, NSC404427

Molecular Formula:	C₁₄H₁₄O₃	Molecular Weight:	230.259160 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: PVWMAOPFDINGAY-UHFFFAOYSA-N

• Vamidothion

IUPAC Name: 2-(2-dimethoxyphosphorylsulfanylethylsulfanyl)-N-methylpropanamide | CAS Registry Number: 2275-23-2
Synonyms: Vamidoate, Trucidor, Kilval, VAMIDOTHION, Caswell No. 379A, Vamidothion [BSI:ISO], American cyanamid-43073, CCRIS 1305, NPH 83, HSDB 6746, 10465 rp, CHEBI:38990, EINECS 218-894-8, ENT 26,613, EPA Pesticide Chemical Code 379200, RP-9895, BRN 2651123, CID560193, AI3-25761, R.P. 10,465

Molecular Formula:	C₈H₁₈NO₄PS₂	Molecular Weight:	287.336581 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: LESVOLZBIFDZGS-UHFFFAOYSA-N

• Vinclozolin

IUPAC Name: 3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-1,3-oxazolidine-2,4-dione | CAS Registry Number: 50471-44-8
Synonyms: Vinclozoline, Ronilan, VINCLOZOLIN, Vinchlozoline, Ornalin, Vorlan, Vinclozolin [German], Vinclozolin solution, Caswell No. 323C, Vinclozolin [BSI:ISO], Vinclozoline [ISO-French], PS1049_SUPELCO, C12H9Cl2NO3, Oprea1_496886, Oprea1_674584, BAS 352 F, HSDB 6747, 45705_RIEDEL, 45914_RIEDEL, BAS 35204F

Molecular Formula:	C₁₂H₉Cl₂NO₃	Molecular Weight:	286.110760 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: FSCWZHGZWWDELK-UHFFFAOYSA-N

• Vinpocetine

Synonyms: vinpocetine, Cavinton, Bravinton, Ceractin, Ultra-Vinca, Ethyl apovincaminate, Prestwick_963, Ethyl (+)-apovincaminate, Spectrum_001400, Ethyl apovincamin-22-oate, SpecPlus_000327, TCV-3B, Prestwick0_000268, Prestwick1_000268, Prestwick2_000268, Prestwick3_000268, Spectrum2_001529, Spectrum3_000961, Spectrum4_001075, Spectrum5_000966

Molecular Formula:	C₂₂H₂₆N₂O₂	Molecular Weight:	350.454040 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: DDNCQMVWWZOMLN-IRLDBZIGSA-N

• Vitamin

IUPAC Name: 4-hydroxy-3-[(1S)-3-oxo-1-phenylbutyl]chromen-2-one;4-hydroxy-3-[(1R)-3-oxo-1-phenylbutyl]chromen-2-one

Molecular Formula:	C₃₈H₃₂O₈	Molecular Weight:	616.655880 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	8

InChIKey: UQDHPIUUEMWTEJ-ZWZQDMJTSA-N

• Vitamin B12

IUPAC Name: cobalt(3+); [(2R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl phosphate; cyanide | CAS Registry Number: 68-19-9
Synonyms: cyanocobalamin, Erythrotin, Mecobalamin, Anacobin, Berubigen, Cytobion, Megabion, Nagravon, Rubripca, Vitarubin, Depinar, Ducobee, Hepavis, Poyamin, Sytobex, Vibalt, vitamin B12, CN-Cbl, Cyano-B12, AIDS001650

Molecular Formula:	C₆₃H₈₈CoN₁₄O₁₄P	Molecular Weight:	1355.365181 [g/mol]
H-Bond Donor:	9	H-Bond Acceptor:	22

InChIKey: FDJOLVPMNUYSCM-JLKASCPDSA-L

• Vitamin D2

IUPAC Name: (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol | CAS Registry Number: 50-14-6
Synonyms: ergocalciferol, Calciferol, Viosterol, Calciferolum, Crystallina, Mulsiferol, Condocaps, Deltalin, Ercalciol, Ergorone, Fortodyl, Hyperkil, Mykostin, Radiostol, Radsterin, Sterogyl, Vigantol, Davitin, Deratol, Detalup

Molecular Formula:	C₂₈H₄₄O	Molecular Weight:	396.648360 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: MECHNRXZTMCUDQ-RKHKHRCZSA-N

• Vitamin D3

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, Calciol, Colecalciferol, Ricketon, Trivitan, Vigorsan, Deparal, Colecalcipherol, Arachitol, Delsterol, Vigantol, Quintox, Rampage, Ebivit, Oleovitamin D3, Cholecalciferolum, D3-Vicotrat, D3-Vigantol, FeraCol, Vi-de-3-hydrosol

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

InChIKey: QYSXJUFSXHHAJI-YRZJJWOYSA-N

• Vitamin D4

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: 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)

• 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

• 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

• 1-Hydroxyoctadecane

IUPAC Name: octadecan-1-ol | CAS Registry Number: 112-92-5
Synonyms: Stearyl alcohol, n-Octadecanol, Octadecanol, 1-OCTADECANOL, Stearol, Octadecan-1-ol, Steraffine, Polaax, Stenol, Octadecyl alcohol, Stearic alcohol, n-1-Octadecanol, Crodacol-S, Siponol S, Octadecylalkohol, Atalco S, Siponol SC, 1-0ctadecanol, n-Octadecyl alcohol, Lanol S

Molecular Formula:	C₁₈H₃₈O	Molecular Weight:	270.493720 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: GLDOVTGHNKAZLK-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

• 2,2-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-Ethylhexyl trans-4-methoxycinnamate

IUPAC Name: 2-ethylhexyl (E)-3-(4-methoxyphenyl)prop-2-enoate | CAS Registry Number: 83834-59-7
Synonyms: Octinoxate, Octyl methoxycinnamate, Parsol MCX, Parsol MOX, Escalol, 2-Ethylhexyl p-methoxycinnamate, 2-Ethylhexyl-p-methoxycinnamate, Parsol, Neo Heliopan, 2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester, Ethylhexyl methoxycinnamate, 2-Ethylhexyl methoxycinnamate, 5466-77-3, CCRIS 6200, EINECS 226-775-7, NSC 26466, 2-Ethylhexyl 4-methoxycinnamate, 2-Ethylhexyl-4-methoxycinnamate, ST075156, AI3-05710

Molecular Formula:	C₁₈H₂₆O₃	Molecular Weight:	290.397240 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: YBGZDTIWKVFICR-JLHYYAGUSA-N

• 2-phenylphenol (CAS: 588-78-1)

• 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

• 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

• 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

• 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