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• Toluene Sulphonic Acid

IUPAC Name: 4-methylbenzenesulfonic acid hydrate | CAS Registry Number: 6192-52-5
Synonyms: Ambap759, T35920_ALDRICH, p-Toluenesulfonic acid monohydrate, 27815_RIEDEL, p-Toluene sulfonic acid monohydrate, 09576_FLUKA, 161993_SIAL, 402885_SIAL, 4-Methylbenzenesulfonic acid monohydrate, Benzenesulfonic acid, 4-methyl-, monohydrate, LS-32017, TL806148, Toluenesulfonic acid mixture of isomers monohydrate, 104-15-4

Molecular Formula:	C₇H₁₀O₄S	Molecular Weight:	190.216900 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: KJIFKLIQANRMOU-UHFFFAOYSA-N

• Torsemide

IUPAC Name: 1-[4-(3-methylanilino)pyridin-3-yl]sulfonyl-3-propan-2-ylurea | CAS Registry Number: 56211-40-6
Synonyms: Torasemide, Demadex, TORSEMIDE, Luprac, Presoril, Toradiur, Torocard, Dilutol, Sutril, Torrem, Torem, Unat, Torasemide N, Torsemide [USAN], Torsemide (USP), Demadex (TN), Luprac (TN), Torasemidum [INN-Latin], Torasemida [INN-Spanish], Ambap3994

Molecular Formula:	C₁₆H₂₀N₄O₃S	Molecular Weight:	348.420000 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: NGBFQHCMQULJNZ-UHFFFAOYSA-N

• Tramadol

IUPAC Name: (1R,2R)-2-(dimethylaminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol | CAS Registry Number: 27203-92-5
Synonyms: Ultram, Ralivia flashtab, Tramal, Ralivia ER, Tramodol Hcl, Tramadol HCl, Tramadolum [INN-Latin], tramadol hydrochloride, Tramadol [INN:BAN], MLS000333190, C16H25NO2, EINECS 248-319-6, BB_SC-1254, CID33741, DB00193, NCGC00159343-02, LS-57115, LS-57116, SMR000436547, K-315

Molecular Formula:	C₁₆H₂₅NO₂	Molecular Weight:	263.375200 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: TVYLLZQTGLZFBW-ZBFHGGJFSA-N

• Tri Ethanol Amine (TEA)

IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol | CAS Registry Number: 102-71-6
Synonyms: Trolamine, TRIETHANOLAMINE, Triethylolamine, Sterolamide, Daltogen, Nitrilotriethanol, Triethanolamin, Sting-Kill, Sodium ISA, Thiofaco T-35, Mobisy, Trihydroxytriethylamine, Tris(2-hydroxyethyl)amine, 2,2',2''-Nitrilotriethanol, Alkanolamine 244, Tri(hydroxyethyl)amine, Triethanolamin-NG, Nitrilotris(ethanol), H3tea, Triaethanolamin-NG

Molecular Formula:	C₆H₁₅NO₃	Molecular Weight:	149.188200 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: GSEJCLTVZPLZKY-UHFFFAOYSA-N

• Trichloro Ethylene

IUPAC Name: 1,1,2-trichloroethene | CAS Registry Number: 79-01-6
Synonyms: Trichloroethene, TRICHLOROETHYLENE, triciene, Ethene, trichloro-, Narcogen, Trilene, Ethinyl trichloride, Trichlorethylene, Blancosolv, Crawhaspol, Densinfluat, Germalgene, Threthylen, Threthylene, Trethylene, Trichloran, Trichloren, Anamenth, Benzinol, Blacosolv

Molecular Formula:	C₂HCl₃	Molecular Weight:	131.388340 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: XSTXAVWGXDQKEL-UHFFFAOYSA-N

• Triclosan

IUPAC Name: 5-chloro-2-(2,4-dichlorophenoxy)phenol | CAS Registry Number: 3380-34-5
Synonyms: triclosan, Irgasan, Cloxifenolum, Cliniclean, Tersaseptic, Aquasept, Manusept, Sapoderm, Trisan, pHisoHex, Microshield T, Oxy Skin Wash, Stri-Dex Face Wash, Irgasan DP300, Stri-Dex Cleansing Bar, Triclosan; Irgasan, Irgasan DP 300, Caswell No. 186A, Lexol 300, COLGATE TOTAL

Molecular Formula:	C₁₂H₇Cl₃O₂	Molecular Weight:	289.541780 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: XEFQLINVKFYRCS-UHFFFAOYSA-N

• Triethylamine

IUPAC Name: N,N-diethylethanamine | CAS Registry Number: 121-44-8
Synonyms: TRIETHYLAMINE, N,N-Diethylethanamine, Triaethylamin, Triethylamin, (Diethylamino)ethane, Ethanamine, N,N-diethyl-, Triaethylamin [German], Trietilamina [Italian], N,N,N-Triethylamine, NEt3, CCRIS 4881, HSDB 896, NCIOpen2_006503, W424601_ALDRICH, T0886_SIAL, 17924_FLUKA, 65897_FLUKA, 90335_FLUKA, 90337_FLUKA, 90338_FLUKA

Molecular Formula:	C₆H₁₅N	Molecular Weight:	101.190000 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: ZMANZCXQSJIPKH-UHFFFAOYSA-N

• Triethylene Glycol

IUPAC Name: 2-[2-(2-hydroxyethoxy)ethoxy]ethanol | CAS Registry Number: 112-27-6
Synonyms: Triglycol, TRIETHYLENE GLYCOL, Trigen, Triethyleneglycol, Triethylenglykol, Tri-ethylene glycol, Caswell No. 888, 2,2'-Ethylenedioxydiethanol, Di-beta-hydroxyethoxyethane, 2,2'-Ethylenedioxyethanol, 3,6-Dioxaoctane-1,8-diol, Triethylenglykol [Czech], EDO-EDO-EDO, Bis(2-hydroxyethoxyethane), 1,2-Bis(2-hydroxyethoxy)ethane, Glycol bis(hydroxyethyl) ether, 2,2'-Ethylenedioxybis(ethanol), HSDB 898, 2,2'-(Ethylenedioxy)diethanol, WLN: Q2O2O2Q

Molecular Formula:	C₆H₁₄O₄	Molecular Weight:	150.172960 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: ZIBGPFATKBEMQZ-UHFFFAOYSA-N

• Trihydroxyethyl Isocyanurate(THEIC)

IUPAC Name: 1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione | CAS Registry Number: 839-90-7
Synonyms: Theic, Tris(hydroxyethyl) cyanurate, Tris(2-hydroxyethyl)cyanurate, CCRIS 6113, Tris(2-hydroxyethyl) isocyanurate, Oprea1_852228, HSDB 6135, Tris(hydroxyethyl) isocyanurate, 309001_ALDRICH, Tris(2-hydroxyethyl)isocyanurate, EINECS 212-660-9, Tris(beta-hydroxyethyl) isocyanurate, NSC 11680, NSC11680, N,N',N''-Tris(2-hydroxyethyl)isocyanurate, ZINC01718500, 1,3,5-Tris(2-hydroxyethyl)isocyanuric acid, AI3-60291, LS-1833, Tris(.beta.-hydroxyethyl) isocyanurate

Molecular Formula:	C₉H₁₅N₃O₆	Molecular Weight:	261.231900 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: BPXVHIRIPLPOPT-UHFFFAOYSA-N

• Trimethylamine

IUPAC Name: N,N-dimethylmethanamine | CAS Registry Number: 75-50-3
Synonyms: trimethylamine, N,N-dimethylmethanamine, N-Trimethylamine, Trimethylamin, Dimethylmethaneamine, Trimethylamine solution, HI of trimethylamine, Methanamine, N,N-dimethyl-, HBr of trimethylamine, HCl of trimethylamine, FEMA Number 3241, NMe3, FEMA No. 3241, CCRIS 6283, HSDB 808, Methylamine, N,N-dimethyl-, NCIOpen2_007868, T3035_SIGMA, W324108_ALDRICH, W550132_ALDRICH

Molecular Formula:	C₃H₉N	Molecular Weight:	59.110260 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: GETQZCLCWQTVFV-UHFFFAOYSA-N

• Tris(Hydroxymethyl)Aminomethane

IUPAC Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol | CAS Registry Number: 77-86-1
Synonyms: Trometamol, TROMETHAMINE, Tris, Tris(Hydroxymethyl)aminomethane, Tham, Trisamine, 2-Amino-2-(hydroxymethyl)-1,3-propanediol, 2-Amino-2-(hydroxymethyl)propane-1,3-diol, Trizma, Tris buffer, Tris base, Trisaminol, Tromethane, Pehanorm, Talatrol, Trisamin, Trispuffer, Tutofusin tris, Apiroserum Tham, Tris-steril

Molecular Formula:	C₄H₁₁NO₃	Molecular Weight:	121.140 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	4

InChIKey: LENZDBCJOHFCAS-UHFFFAOYSA-N

• Ultramarine Blue

Synonyms: Azure blue, Pigment Blue 29, Ultramarine (pigment), Ultramarine blue pigment, UNII-I39WR998BI, C.I. PIGMENT BLUE 29, C. I. 77007, 67053-79-6

Molecular Formula:	Al₆Na₈O₂₄S₃Si₆	Molecular Weight:	994.500986 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	27

InChIKey: IRERQBUNZFJFGC-UHFFFAOYSA-L

• Undecyl Alcohol

IUPAC Name: undecan-1-ol | CAS Registry Number: 112-42-5
Synonyms: Undecyl alcohol, Undecanol, n-Undecanol, 1-UNDECANOL, Hendecyl alcohol, 1-Hendecanol, Decyl carbinol, n-Undecyl alcohol, Tip-Nip, Hendecanoic alcohol, Alcohol C-11, n-Undecan-1-ol, Alcohol, undecyl, 1-Undecyl alcohol, C11 alcohol, n-Hendecylenic alcohol, Undecan-1-ol, Fatty alcohol(C11), HENDECANOL, FEMA No. 3097

Molecular Formula:	C₁₁H₂₄O	Molecular Weight:	172.307660 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: KJIOQYGWTQBHNH-UHFFFAOYSA-N

• Valsartan

IUPAC Name: (2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid | CAS Registry Number: 137862-53-4
Synonyms: valsartan, Diovan, Exforge, Mixture Name, Diovan Hct, Diovan (TN), Valsartan [USAN:INN], Spectrum_001796, Spectrum2_001120, Spectrum3_001831, Spectrum4_000749, Spectrum5_001582, BSPBio_003501, KBioGR_001078, KBioSS_002289, MLS000759423, MLS001424088, Valsartan (JAN/USAN/INN), SPECTRUM1505209, SPBio_001260

Molecular Formula:	C₂₄H₂₉N₅O₃	Molecular Weight:	435.518760 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	7

InChIKey: ACWBQPMHZXGDFX-QFIPXVFZSA-N

• Vinylidene Chloride

IUPAC Name: 1,1-dichloroethene | CAS Registry Number: 75-35-4
Synonyms: Vinylidene chloride, 1,1-Dichloroethene, Vinylidine chloride, Sconatex, Ethene, 1,1-dichloro-, 1,1-DICHLOROETHYLENE, Vinylidene dichloride, as-Dichloroethylene, asym-Dichloroethylene, :vinylidene chloride, Ethylene, 1,1-dichloro-, 1,1-Dce, 1,1,-dichloroethene, Polyvinylidene chloride, Vinylidene chloride (II), RCRA waste no. U078, vinylidene chloride(II), RCRA waste number U078, Vinylidene chloride, monomer, CCRIS 622

Molecular Formula:	C₂H₂Cl₂	Molecular Weight:	96.943280 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: LGXVIGDEPROXKC-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 Stearate

IUPAC Name: zinc octadecanoate | CAS Registry Number: 557-05-1
Synonyms: Dermarone, Metallac, Stearates, Hydense, Hytech, Mathe, Synpro stearate, Zinc distearate, Coad, Zink distearat, Zinci stearas, ZINC STEARATE, Zn Stearate, Talculin Z, Unichem ZS, Zinc octadecanoate, Zincum stearinicum, Stavinor ZN-E, Metasap 576, Dibasic zinc stearate

Molecular Formula:	C₃₆H₇₀O₄Zn	Molecular Weight:	632.347600 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: XOOUIPVCVHRTMJ-UHFFFAOYSA-L

• Zirconium basic carbonate

IUPAC Name: hydrogen carbonate; zirconium(4+) | CAS Registry Number: 57219-64-4

Molecular Formula:	C₄H₄O₁₂Zr	Molecular Weight:	335.291360 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	12

InChIKey: BSZKBMAGLBURDO-UHFFFAOYSA-J

• Zirconium Dichloride Oxide

IUPAC Name: oxozirconium octahydrate dihydrochloride | CAS Registry Number: 13520-92-8
Synonyms: Zirconyl chloride octahydrate, Dichlorooxozirconium octahydrate, Zirconium oxychloride octahydrate, Zirconium(IV) oxide chloride, 31670_RIEDEL, Zirconium chloride oxide octahydrate, 02763_FLUKA, Zirconium(IV) oxychloride solution, 224316_SIAL, Zirconium(IV) oxychloride octahydrate, LS-162913, Zirconium, dichlorooxo-, octahydrate (8CI,9CI), Zirconium atomic spectroscopy standard concentrate 1.00- g Zr, 7699-43-6

Molecular Formula:	Cl₂H₁₈O₉Zr	Molecular Weight:	324.267520 [g/mol]
H-Bond Donor:	10	H-Bond Acceptor:	9

InChIKey: FUBACIUATZGHAC-UHFFFAOYSA-N

• 2,2-Bis(hydroxyphenyl)propane

IUPAC Name: 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol | CAS Registry Number: 80-05-7
Synonyms: Bisphenol A, Diphenylolpropane, Bisphenol, Diano, Biphenol A, Rikabanol, Parabis A, 4,4'-Bisphenol A, DIAN, Ucar bisphenol A, p,p'-Bisphenol A, Pluracol 245, Ucar bisphenol HP, Bisferol A, Ipognox 88, Bisphenol A., 4,4'-Isopropylidenediphenol, Bisferol A [Czech], 2,2-Bis(4-hydroxyphenyl)propane, 2,2-Di(4-phenylol)propane

Molecular Formula:	C₁₅H₁₆O₂	Molecular Weight:	228.286340 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: IISBACLAFKSPIT-UHFFFAOYSA-N

• 1,2-Dimethylbenzene

IUPAC Name: 1,2-dimethylbenzene | CAS Registry Number: 95-47-6
Synonyms: O-XYLENE, o-Methyltoluene, o-Dimethylbenzene, o-Xylol, o-Xylenes, Ortho-Xylene, 1,2-Xylene, 2-Xylene, Benzene, 1,2-dimethyl-, 3,4-Xylene, Xylene, o-, Xylenes (mixed), Xylene, o-isomer, Benzene, o-dimethyl-, 1,2-Dimethylbenzol, CCRIS 905, HSDB 134, 48581_SUPELCO, BENZENE,1,2-DIMETHYL, 294780_ALDRICH

Molecular Formula:	C₈H₁₀	Molecular Weight:	106.165000 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: CTQNGGLPUBDAKN-UHFFFAOYSA-N

• 3-Bromopropane

IUPAC Name: 1-bromopropane | CAS Registry Number: 106-94-5
Synonyms: N-Propyl bromide, 1-BROMOPROPANE, Propyl bromide, Propane, 1-bromo-, Propane, bromo-, BROMOPROPANE, 1-BROMO-PROPANE, CCRIS 30, B78106_ALDRICH, HSDB 1068, EINECS 203-445-0, CID7840, LS-414, AI3-18129, NCGC00091561-01, ST5214539, TL8000248, InChI=1/C3H7Br/c1-2-3-4/h2-3H2,1H, 3BR, 26446-77-5

Molecular Formula:	C₃H₇Br	Molecular Weight:	122.991680 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: CYNYIHKIEHGYOZ-UHFFFAOYSA-N

• 4-Methyl-2-Pentanone

IUPAC Name: 4-methylpentan-2-one | CAS Registry Number: 108-10-1
Synonyms: Isopropylacetone, Hexone, Isohexanone, Hexanone, 4-Methyl-2-pentanone, METHYL ISOBUTYL KETONE, Shell mibk, Isopropyl acetone, MIBK, 2-Pentanone, 4-methyl-, Hexon, Isobutyl methyl ketone, 4-Methylpentan-2-one, Hexon [Czech], Methylisobutylketon, 2-Methyl-4-pentanone, 4-Methyl-2-oxopentane, Ketone, isobutyl methyl, Metilisobutilchetone, Metyloizobutyloketon

Molecular Formula:	C₆H₁₂O	Molecular Weight:	100.158880 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: NTIZESTWPVYFNL-UHFFFAOYSA-N

• 1,2-Propanediol

IUPAC Name: propane-1,2-diol | CAS Registry Number: 57-55-6
Synonyms: propylene glycol, 1,2-propanediol, Sirlene, propane-1,2-diol, Trimethyl glycol, Dowfrost, 2-Hydroxypropanol, Methylethyl glycol, Solargard P, 2,3-Propanediol, 1,2-Propylene glycol, Methyl glycol, Monopropylene glycol, propanediol, Methylethylene glycol, Isopropylene glycol, Solar Winter BAN, dl-Propylene glycol, 1,2-dihydroxypropane, alpha-Propyleneglycol

Molecular Formula:	C₃H₈O₂	Molecular Weight:	76.094420 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: DNIAPMSPPWPWGF-UHFFFAOYSA-N

• 1-Bromobutane

IUPAC Name: 1-bromobutane | CAS Registry Number: 109-65-9
Synonyms: Butyl bromide, Butane, 1-bromo-, n-Butylbromide, Bromobutane, N-BUTYL BROMIDE, 1-Butyl bromide, Butane, bromo-, sJPHAbIJuP@, 1-BROMO-BUTANE, CCRIS 831, HSDB 2195, 08953_FLUKA, 19681_FLUKA, B59497_SIAL, EINECS 203-691-9, UN1126, AI3-15308, LS-45622, TL8000306, 1-Bromobutane [UN1126] [Flammable liquid]

Molecular Formula:	C₄H₉Br	Molecular Weight:	137.018260 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: MPPPKRYCTPRNTB-UHFFFAOYSA-N

• 3-Methylbutanol

IUPAC Name: 3-methylbutan-1-ol | CAS Registry Number: 123-51-3
Synonyms: Isoamyl alcohol, Isopentyl alcohol, Isopentanol, Isoamylol, Isobutylcarbinol, 3-Methylbutan-1-ol, Isobutyl carbinol, Fusel Oil, Iso-amylalkohol, Fuseloel, Iso-amyl alcohol, 1-Butanol, 3-methyl-, 2-Methyl-4-butanol, Isopentylalkohol, Amylowy alkohol, Isoamyl alkohol, Alcool amilico, Alcool isoamylique, ISOAMYLALCOHOL, Huile de fusel

Molecular Formula:	C₅H₁₂O	Molecular Weight:	88.148180 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: PHTQWCKDNZKARW-UHFFFAOYSA-N

• 4-Tertiary Butyl Phenol

IUPAC Name: 4-tert-butylphenol | CAS Registry Number: 98-54-4
Synonyms: Butylphen, 4-tert-Butylphenol, p-tert-Butylphenol, p-t-Butyl phenol, 4-t-Butylphenol, Phenol, p-tert-butyl-, p-sec-Butylphenol, p-terc.Butylfenol, PTBP, Ucar butylphenol 4-T, Caswell No. 130E, 4-(1,1-Dimethylethyl)phenol, 2-TERT-BUTYLPHENOL, Phenol, p-(tert-butyl)-, 4-tertiary-butylphenol, Ambap5870, Phenol, 4-(1,1-dimethylethyl)-, p-terc.Butylfenol [Czech], para-tertiary-butylphenol, Ucar butylphenol 4-T flake

Molecular Formula:	C₁₀H₁₄O	Molecular Weight:	150.217560 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: QHPQWRBYOIRBIT-UHFFFAOYSA-N

• 2-Butanone Oxime

IUPAC Name: (NZ)-N-butan-2-ylidenehydroxylamine | CAS Registry Number: 96-29-7
Synonyms: Butanone oxime, MEK-oxime, 2-Butanone, oxime, Ethyl methyl ketoxime, Methyl ethyl ketoxime, Troykyd anti-skin B, Skino #2, 2-BUTANONE OXIME, Ethyl methyl ketone oxime, Methyl ethyl ketone oxime, USAF AM-3, USAF EK-906, (2Z)-butan-2-one oxime, USAF DO-44, WLN: QNUY2&1, Ethyl-methylketonoxim [Czech], 2-butanone, oxime, (2Z)-, CCRIS 1382, NSC442, NSC 442

Molecular Formula:	C₄H₉NO	Molecular Weight:	87.120360 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: WHIVNJATOVLWBW-PLNGDYQASA-N

• 4-Aminobenzoic Acid

IUPAC Name: 4-aminobenzoic acid | CAS Registry Number: 150-13-0
Synonyms: 4-aminobenzoic acid, p-aminobenzoic acid, Hachemina, Paraminol, Pabafilm, Pabamine, Paranate, Pabacyd, Amben, p-Carboxyaniline, Papacidum, Sunbrella, Romavit, RVPaba Lipstick, p-aminobenzoate, Potaba, Rvpaba, 4-Carboxyaniline, Vitamin BX, 4-aminobenzoate

Molecular Formula:	C₇H₇NO₂	Molecular Weight:	137.135980 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: ALYNCZNDIQEVRV-UHFFFAOYSA-N

• 3,5,5, Trimethyl-Hexyl Alcohol

IUPAC Name: 3,5,5-trimethylhexan-1-ol | CAS Registry Number: 3452-97-9
Synonyms: Nonylol, Isononyl alcohol, i-Nonyl alcohol, Trimethylhexyl alcohol, 3,5,5-Trimethylhexanol, Caswell No. 892A, 1-Hexanol, 3,5,5-trimethyl-, 3,5,5-Trimethyl-1-hexanol, 3,5,5-Trimethylhexan-1-ol, NCIOpen2_001207, W332402_ALDRICH, 3,5,5-Trimethylhexyl alcohol, FEMA No. 3324, 289485_ALDRICH, NSC83151, NSC97226, EINECS 222-376-7, NSC 83151, NSC 97226, EPA Pesticide Chemical Code 492200

Molecular Formula:	C₉H₂₀O	Molecular Weight:	144.254500 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: BODRLKRKPXBDBN-UHFFFAOYSA-N

• 1,6-Hexanediol

IUPAC Name: hexane-1,6-diol | CAS Registry Number: 629-11-8
Synonyms: Hexamethylene glycol, Hexamethylenediol, 1,6-HEXANEDIOL, Hexane-1,6-diol, 1,6-Dihydroxyhexane, .omega.-Hexanediol, alpha,omega-Hexanediol, 1,6-Hexanediol solution, .alpha.,.omega.-Hexanediol, WLN: Q6Q, CCRIS 8982, H11807_ALDRICH, HSDB 6488, NSC 508, 240117_ALDRICH, NSC508, 88571_FLUKA, EINECS 211-074-0, BRN 1633461, ZINC01555566

Molecular Formula:	C₆H₁₄O₂	Molecular Weight:	118.174160 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: XXMIOPMDWAUFGU-UHFFFAOYSA-N

• 2-Mercaptoacetic Acid

IUPAC Name: 2-sulfanylacetic acid | CAS Registry Number: 68-11-1
Synonyms: mercaptoacetic acid, thioglycolic acid, thioglycolate, Thiovanic acid, Mercaptoessigsaeure, Acetic acid, mercapto-, 2-Thioglycolic acid, Thioglykolsaeure, 2-Mercaptoacetate, 2-Mercaptoacetic acid, Thioglycollic acid, Sulfanylacetic acid, Glycolic acid, thio-, Mercaptoethanoic acid, Merkaptoessigsaeure, Acide thioglycolique, sJPhLPDIKTp@, Glycolic acid, 2-thio-, .alpha.-Mercaptoacetic acid, USAF CB-35

Molecular Formula:	C₂H₄O₂S	Molecular Weight:	92.116960 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: CWERGRDVMFNCDR-UHFFFAOYSA-N

• 1,4-Benzene dimethanethiol

IUPAC Name: [4-(sulfanylmethyl)phenyl]methanethiol | CAS Registry Number: 105-09-9
Synonyms: p-Xylylenedithiol, 1,4-Benzenedimethanethiol, 1,4-Benzenebis(methanethiol), NCIOpen2_000587, .alpha.,.alpha.'-p-Xylenedithiol, 1,4-Bis(mercaptomethyl)benzene, alpha,alpha'-p-Xylenedithiol, p-Xylene-alpha,alpha'-dithiol, 147273_ALDRICH, NSC72094, EINECS 203-269-4, p-Xylene-.alpha.,.alpha.'-dithiol, NSC 72094, TL8006760

Molecular Formula:	C₈H₁₀S₂	Molecular Weight:	170.295000 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: IYPNRTQAOXLCQW-UHFFFAOYSA-N

• 2-Propanol

IUPAC Name: propan-2-ol | CAS Registry Number: 67-63-0
Synonyms: isopropanol, Isopropyl alcohol, Propan-2-ol, Alcolo, Dimethylcarbinol, 2-Hydroxypropane, Takineocol, Alkolave, Avantine, Hartosol, Petrohol, Alcojel, Avantin, Lavacol, Lutosol, Isohol, Propol, sec-Propyl alcohol, 1-Methylethanol, Alcosolve

Molecular Formula:	C₃H₈O	Molecular Weight:	60.095020 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: KFZMGEQAYNKOFK-UHFFFAOYSA-N

• 4-Chlorobenzotrifluoride

IUPAC Name: 1-chloro-4-(trifluoromethyl)benzene | CAS Registry Number: 98-56-6
Synonyms: p-Chlorobenzotrifluoride, para-Chlorobenzotrifluoride, p-Chlorotrifluoromethylbenzene, p-Trifluoromethylphenyl chloride, (p-Chlorophenyl)trifluoromethane, p-(Trifluoromethyl)chlorobenzene, p-Chloro-a,a,a-trifluorotoluene, CCRIS 720, Benzene, 1-chloro-4-(trifluoromethyl)-, para-Chlorotrifluoromethylbenzene, C26402_ALDRICH, HSDB 4251, 1-(Trifluoromethyl)-4-chlorobenzene, 1-CHLORO-4-(TRIFLUOROMETHYL)BENZENE, 23720_FLUKA, 4-Chloro-a,a,a-trifluorotoluene, EINECS 202-681-1, NSC 10309, NSC10309, 4-Chloro-alpha,alpha,alpha-trifluorotoluene

Molecular Formula:	C₇H₄ClF₃	Molecular Weight:	180.554870 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: QULYNCCPRWKEMF-UHFFFAOYSA-N

• 1,4-Cyclohexanedimethanol

IUPAC Name: [4-(hydroxymethyl)cyclohexyl]methanol | CAS Registry Number: 105-08-8
Synonyms: Rikabinol DM, CHDM, 1,4-Chidm, 1,4-CYCLOHEXANEDIMETHANOL, 1,4-Dimethylolcyclohexane, 1,4-Bis(hydroxymethyl)cyclohexane, Cyclohexane-1,4-dimethanol, Cyclohex-1,4-ylenedimethanol, cis-1,4-Cyclohexanedimethanol, trans-1,4-Cyclohexanedimethanol, HSDB 5364, cyclohexane-1,4-diyldimethanol, WLN: L6TJ A1Q D1Q, 1,4-Cyclohexamethylenebis methylol, 125598_ALDRICH, EINECS 203-268-9, 1,4-Cyclohexanedimethanol, cis-, NSC 44508, 1,4-Cyclohexanedimethanol, trans-, NSC44508

Molecular Formula:	C₈H₁₆O₂	Molecular Weight:	144.211440 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: YIMQCDZDWXUDCA-UHFFFAOYSA-N

• 1 5-Pentanediol

IUPAC Name: pentane-1,5-diol | CAS Registry Number: 111-29-5
Synonyms: Pentylene glycol, 1,5-PENTANEDIOL, Pentamethylene glycol, Pentane-1,5-diol, 1,5-Dihydroxypentane, 1,5-Pentylene glycol, .omega.-Pentanediol, alpha,omega-Pentanediol, 1,5-Pentamethylene glycol, Ambap1523, .alpha.,.omega.-Pentanediol, WLN: Q5Q, P7703_SIAL, NSC 5927, 76892_FLUKA, EINECS 203-854-4, NSC5927, BRN 1560130, ZINC01687319, AI3-03318

Molecular Formula:	C₅H₁₂O₂	Molecular Weight:	104.147580 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: ALQSHHUCVQOPAS-UHFFFAOYSA-N

• 2-Butanone

IUPAC Name: butan-2-one | CAS Registry Number: 78-93-3
Synonyms: Butanone, Butan-2-one, Meetco, Methyl acetone, Ethyl methyl ketone, METHYL ETHYL KETONE, Methylethylketone, Oxobutane, 3-Butanone, Methylethyl ketone, methylacetone, Ethylmethylketon, Methylethylketon, Acetone, methyl-, ethylmethylketone, Aethylmethylketon, Metyl ethyl ketone, 2-butanon, Butanone 2, Ketone, ethyl methyl

Molecular Formula:	C₄H₈O	Molecular Weight:	72.105720 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: ZWEHNKRNPOVVGH-UHFFFAOYSA-N

• 2-Aminoacetic Acid

IUPAC Name: 2-aminoacetic acid | CAS Registry Number: 56-40-6
Synonyms: glycine, aminoacetic acid, Glycocoll, Aminoethanoic acid, Glycolixir, Glycosthene, Leimzucker, Glicoamin, Aciport, Amitone, Glycin, Padil, Aminoazijnzuur, polyglycine, Acetic acid, amino-, Corilin, Hampshire glycine, L-Glycine, 2-Aminoacetic acid, Sucre de gelatine

Molecular Formula:	C₂H₅NO₂	Molecular Weight:	75.066600 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: DHMQDGOQFOQNFH-UHFFFAOYSA-N

• 12-Aminododecanoic Acid

IUPAC Name: 12-aminododecanoic acid | CAS Registry Number: 693-57-2
Synonyms: 12-Aminolauric acid, 12-Aminododecanoic acid, .omega.-Aminolauric acid, Omega-Aminododecanoic acid, CCRIS 6171, 12-AMINO-DODECANOIC ACID, 159247_ALDRICH, EINECS 211-754-7, LMFA01100005, LS-181682, TL8006598, DOA, 95418-77-2

Molecular Formula:	C₁₂H₂₅NO₂	Molecular Weight:	215.332400 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: PBLZLIFKVPJDCO-UHFFFAOYSA-N

• 4-Sulphophthalic Acid

IUPAC Name: 4-sulfophthalic acid | CAS Registry Number: 89-08-7
Synonyms: 4-SULFOPHTHALIC ACID, 4-Sulphophthalic acid, Phthalic acid, 4-sulfo-, NCIOpen2_006963, 1,2-Benzenedicarboxylic acid, 4-sulfo-, 4-Sulfophthalic acid solution, HSDB 5264, 283266_ALDRICH, EINECS 201-881-6, Phthalic acid, 4-sulfo- (8CI), NSC 100615, NSC100615, 4-SULFOPHTHALIC ACID, 35% SOLN, LS-171205, ST5307627

Molecular Formula:	C₈H₆O₇S	Molecular Weight:	246.194040 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	7

InChIKey: WNKQDGLSQUASME-UHFFFAOYSA-N

• 1-Butanol

IUPAC Name: butan-1-ol | CAS Registry Number: 71-36-3
Synonyms: 1-butanol, n-butanol, Butyl alcohol, n-butyl alcohol, butanol, 1-hydroxybutane, Butan-1-ol, Methylolpropane, Propylcarbinol, Propylmethanol, Hemostyp, Butyl hydroxide, Butyric alcohol, Propyl carbinol, 1-Butyl alcohol, n-Butan-1-ol, Butanolo, n-Butylalkohol, Alcool butylique, Butanol [French]

Molecular Formula:	C₄H₁₀O	Molecular Weight:	74.121600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: LRHPLDYGYMQRHN-UHFFFAOYSA-N

• 1,3,5-Trimethyl Benzene

IUPAC Name: 1,3,5-trimethylbenzene | CAS Registry Number: 108-67-8
Synonyms: MESITYLENE, Trimethylbenzol, sym-Trimethylbenzene, Fleet-X, 1,3,5-Trimethylbenzene, 3,5-Dimethyltoluene, s-Trimethylbenzene, Benzene, 1,3,5-trimethyl-, Trimethylbenzene, 1,3,5-, HSDB 92, M7200_ALDRICH, 442236_SUPELCO, NSC 9273, WLN: 1R C1 E1, 63908_FLUKA, 63910_FLUKA, CHEBI:34833, EINECS 203-604-4, NSC9273, UN2325

Molecular Formula:	C₉H₁₂	Molecular Weight:	120.191580 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: AUHZEENZYGFFBQ-UHFFFAOYSA-N

• 2-Ethyl Hexanol

IUPAC Name: 2-ethylhexan-1-ol | CAS Registry Number: 104-76-7
Synonyms: Ethylhexanol, 2-Ethylhexanol, Octyl alcohol, 2-Ethylhexan-1-ol, 1-Hexanol, 2-ethyl-, 2-Ethylhexyl alcohol, 2-ETHYL-1-HEXANOL, Ethylhexanol, 2-, Alcohol, 2-ethylhexyl, ISOOCTYL ALCOHOL, 2-Aethylhexanol [German], Name not found in CASLST, FEMA No. 3151, CCRIS 2292, HSDB 1118, W315109_ALDRICH, 538051_ALDRICH, NSC 9300, 08607_FLUKA, CHEBI:16011

Molecular Formula:	C₈H₁₈O	Molecular Weight:	130.227920 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: YIWUKEYIRIRTPP-UHFFFAOYSA-N

• 2-Furaldehyde

IUPAC Name: furan-2-carbaldehyde | CAS Registry Number: 98-01-1
Synonyms: FURFURAL, 2-Furancarboxaldehyde, Furaldehyde, Fural, Furancarbonal, Furfuraldehyde, 2-Furanaldehyde, 2-Furancarbonal, Furfurole, Furfurol, Furale, Furole, Furol, Furfurylaldehyde, 2-Furfural, 2-Furylaldehyde, Quakeral, 2-Formylfuran, Artificial ant oil, Fufural

Molecular Formula:	C₅H₄O₂	Molecular Weight:	96.084060 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: HYBBIBNJHNGZAN-UHFFFAOYSA-N

• 2,4-Di-Tert-Amylphenol

IUPAC Name: 2,4-bis(2-methylbutan-2-yl)phenol | CAS Registry Number: 120-95-6
Synonyms: Di-tert-amylphenol, 2,4-Di-tert-amylphenol, Prodox 156, 2,4-Di-tert-pentylphenol, Phenol, 2,4-di-tert-pentyl-, 2,4-DI-T-PENTYLPHENOL, Phenol, 2,4-bis(1,1-dimethylpropyl)-, HSDB 5588, 372099_ALDRICH, EINECS 204-439-0, NSC 158351, BRN 2370274, 2,4-Bis(1,1-dimethylpropyl)phenol, NSC158351, ZINC01605946, NCGC00164151-01, LS-104578, ST5307419, 3-06-00-02085 (Beilstein Handbook Reference)

Molecular Formula:	C₁₆H₂₆O	Molecular Weight:	234.377040 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: WMVJWKURWRGJCI-UHFFFAOYSA-N

• 2-Mercapto Benzoic Acid

IUPAC Name: 2-sulfanylbenzoic acid | CAS Registry Number: 147-93-3
Synonyms: Thiosalicylic acid, 2-Carboxythiophenol, o-Mercaptobenzoic acid, o-Thiosalicylic acid, 2-Mercaptobenzoic acid, o-Carboxythiophenol, o-Benzoic acid thiol, 2-Sulfanylbenzoic acid, 2-Thiosalicylic acid, Benzoic acid, 2-mercapto-, o-Sulfhydrylbenzoic acid, Salicylic acid, 2-thio-, BENZOIC ACID, O-MERCAPTO-, USAF KF-2, WLN: SHR BVQ, USAF XR-35, USAF EK-T-2805, o-Mercaptobenzoesaeure [German], T33200_ALDRICH, HSDB 2739

Molecular Formula:	C₇H₆O₂S	Molecular Weight:	154.186340 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: NBOMNTLFRHMDEZ-UHFFFAOYSA-N

• 4-Bromotoluene

IUPAC Name: 1-bromo-4-methylbenzene | CAS Registry Number: 106-38-7
Synonyms: p-Bromotoluene, p-Tolyl bromide, Toluene, p-bromo-, Parabromotoluene, p-Methylbromobenzene, 1-Bromo-4-methylbenzene, 4-Tolyl bromide, 4-Methylbromobenzene, 4-BROMOTOLUENE, p-Methylphenyl bromide, Toluene, 4-bromo-, Benzene, 1-bromo-4-methyl-, 1-Methyl-4-bromobenzene, 4-Bromo-1-methylbenzene, 4-Methyl-1-bromobenzene, 4-Methylphenyl bromide, CCRIS 5983, B82200_ALDRICH, HSDB 6015, NSC 6531

Molecular Formula:	C₇H₇Br	Molecular Weight:	171.034480 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: ZBTMRBYMKUEVEU-UHFFFAOYSA-N

• 5-Sulfosalicylic Acid

IUPAC Name: 2-hydroxy-5-sulfobenzoic acid | CAS Registry Number: 97-05-2
Synonyms: Salicylsulfonic acid, 5-Sulphosalicylic acid, SULFOSALICYLIC ACID, 5-Sulfosalicylic acid, 5-Sulfosalicylate, Salicylic acid, sulfo-, Sulphosalicylic acid, Kalcolor anodizing acid, Salicylic acid, 5-sulfo-, Benzoic acid, 2-hydroxysulfo-, Sulfosalicylic acid (VAN), Salicylsulfonic acid (VAN), Sulphosalicylic acid (VAN), 2-Hydroxy-5-sulfobenzoic acid, WLN: WSQR DQ CVQ, Benzoic acid, 2-hydroxy-5-sulfo-, 2-Hydroxybenzoic-5-sulfonic acid, EINECS 202-555-6, 3-Carboxy-4-hydroxybenzenesulfonic acid, NSC4741

Molecular Formula:	C₇H₆O₆S	Molecular Weight:	218.183940 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: YCPXWRQRBFJBPZ-UHFFFAOYSA-N

• 2-Ethyl-1,3-Hexanediol

IUPAC Name: 2-ethylhexane-1,3-diol | CAS Registry Number: 94-96-2
Synonyms: Ethohexadiol, Octylene glycol, Carbide 6-12, Repellent 612, Ethyl hexanediol, Rutgers 612, Diol-Kyowa 8, Ethylhexylene glycol, 1,3-Hexanediol, 2-ethyl-, 2-ETHYL-1,3-HEXANEDIOL, 2-Ethylhexane-1,3-diol, 6-12-Insect repellent, Caswell No. 445, Ethohexadiol [USP], Ethyl hexylene glycol, 6-12 insect repellent, Latka 612 [Czech], 2-Ethylhexanediol-1,3, 2-Ethyl-1,3-hexylene glycol, 2-Ethyl-1,3-hexandiol

Molecular Formula:	C₈H₁₈O₂	Molecular Weight:	146.227320 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: RWLALWYNXFYRGW-UHFFFAOYSA-N