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• Diabetosan

IUPAC Name: 3-(diaminomethylidene)-1,1-dimethylguanidine hydrochloride | CAS Registry Number: 1115-70-4
Synonyms: metformin, Glucophage, Diabefagos, Glyciphage, Siamformet, Benofomin, Denkaform, Diaberit, Diabesin, Diabetex, Diabetmin, Diaformin, Diaphage, Diformin, Glibomet, Glucofago, Glucoform, Glucoliz, Glucomet, Glucomine

Molecular Formula:	C₄H₁₂ClN₅	Molecular Weight:	165.624580 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	5

InChIKey: OETHQSJEHLVLGH-UHFFFAOYSA-N

• Diclazuril

IUPAC Name: 2-(4-chlorophenyl)-2-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetonitrile | CAS Registry Number: 101831-37-2
Synonyms: DICLAZURIL, Diclazuril (USAN/INN), 34057_RIEDEL, AIDS008313, AIDS-008313, CID456389, NCGC00168785-01, D03794, 2,6-Dichloro-.alpha.-(4-chlorophenyl)-4-(4,5- dihydro-3,5-dioxo-1,2,4-triazin-2(3H)- yl)benzeneacetonitrile, 2,6-Dichloro-alpha-(4-chlorophenyl)-4-[4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl]benzeneacetonitrile

Molecular Formula:	C₁₇H₉Cl₃N₄O₂	Molecular Weight:	407.637960 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: ZSZFUDFOPOMEET-UHFFFAOYSA-N

• Diethyl 2-Amino Malonate Hydrochloride

IUPAC Name: diethyl 2-aminopropanedioate hydrochloride | CAS Registry Number: 13433-00-6
Synonyms: Diethyl aminomalonate hydrochloride, D87589_ALDRICH, DIETHYLAMINO MALONATE HCl, NSC76074, EINECS 236-556-8, CID3084143, TL806211, ST5308255, Aminomalonic acid diethyl ester hydrochloride, 6829-40-9

Molecular Formula:	C₇H₁₄ClNO₄	Molecular Weight:	211.643360 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: GLFVNTDRBTZJIY-UHFFFAOYSA-N

• Diethyl Acetamido Malonate

IUPAC Name: diethyl 2-acetamidopropanedioate | CAS Registry Number: 1068-90-2
Synonyms: Diethyl acetamidomalonate, Diethyl acetaminomalonate, Ethyl acetamidomalonate, Diethyl acetylaminomalonate, Diethyl 2-acetamidomalonate, Diethyl acetamidomalonic acid, ACETAMIDOMALONIC ACID DIETHYL ESTER, WLN: 2OVYVO2&MV1, CBDivE_002969, D84601_ALDRICH, HSDB 2664, NSC 7645, EINECS 213-952-9, Malonic acid, acetamido-, diethyl ester, NSC7645, AIDS018685, AIDS-018685, Propanedioic acid, (acetylamino)-, diethyl ester, Acetamidomalonic acid, diethyl ester, BRN 0783883

Molecular Formula:	C₉H₁₅NO₅	Molecular Weight:	217.219100 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: ISOLMABRZPQKOV-UHFFFAOYSA-N

• Diethyl fluoromalonate

IUPAC Name: diethyl 2-fluoropropanedioate | CAS Registry Number: 685-88-1
Synonyms: Ethyl fluoromalonate, Diethyl fluoropropanedioate, Fluoromalonic acid diethyl ester, 285587_ALDRICH, EINECS 211-684-7, NSC 521723, BRN 1775686, NSC521723, ZINC01605023, MALONIC ACID, FLUORO-, DIETHYL ESTER, LS-88834, Propanedioic acid, fluoro-, diethyl ester, TL8004812, 4-02-00-01899 (Beilstein Handbook Reference), Propanedioic acid, fluoro-, diethyl ester (9CI), 3S105480, 3S210827

Molecular Formula:	C₇H₁₁FO₄	Molecular Weight:	178.158243 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: GOWQBFVDZPZZFA-UHFFFAOYSA-N

• Diethyl Malonate

IUPAC Name: diethyl propanedioate | CAS Registry Number: 105-53-3
Synonyms: DIETHYL MALONATE, Ethyl malonate, Malonic ester, Dicarbethoxymethane, Diethyl propanedioate, Ethyl propanedioate, Carbethoxyacetic ester, Malonic acid, diethyl ester, Propanedioic acid, diethyl ester, Ethyl malonate (VAN), Ethyl methanedicarboxylate, Malonic acid diethyl ester, FEMA No. 2375, WLN: 2OV1VO2, D97754_ALDRICH, W237507_ALDRICH, Methanedicarboxylic acid, diethyl ester, NSC 8864, EINECS 203-305-9, NSC8864

Molecular Formula:	C₇H₁₂O₄	Molecular Weight:	160.167780 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: IYXGSMUGOJNHAZ-UHFFFAOYSA-N

• Diethyl N-Butyl Malonate

IUPAC Name: diethyl 2-butylpropanedioate | CAS Registry Number: 133-08-4
Synonyms: Diethyl butylmalonate, Ethyl butylmalonate, Diethyl n-butylmalonate, Diethyl 2-butylmalonate, Malonic acid, butyl-, diethyl ester, Butylmalonic acid diethyl ester, 112038_ALDRICH, NSC4565, Propanedioic acid, butyl-, diethyl ester, EINECS 205-089-1, ZINC01679966, AI3-06356, 1,1-PENTANEDICARBOXYLIC ACID,DIETHYL ESTER (BUTYL MALONATE,DIETHYL ESTER), InChI=1/C11H20O4/c1-4-7-8-9(10(12)14-5-2)11(13)15-6-3/h9H,4-8H2,1-3H

Molecular Formula:	C₁₁H₂₀O₄	Molecular Weight:	216.274100 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: RPNFNBGRHCUORR-UHFFFAOYSA-N

• Diphenyl Phosphorochloridate

IUPAC Name: [chloro(phenoxy)phosphoryl]oxybenzene | CAS Registry Number: 2524-64-3
Synonyms: Diphenyl chlorophosphate, DPPC, Diphenylphosphoryl chloride, Diphenyl phosphorochloridate, Diphenyl phosphochloridate, O,O-Diphenyl chlorophosphate, Chlorodiphenoxyphosphine oxide, Diphenoxychlorophosphine oxide, Diphenylphosphorylchloridate, Diphenyl phosphoryl chloride, D206555_ALDRICH, 344249_ALDRICH, Diphenylphosphoric acid monochloride, Phosphoric acid chloride diphenyl ester, Phosphorochloridic acid, diphenyl ester, NSC43771, EINECS 219-759-6, NSC 43771, Phenyl phosphorochloridate ((PhO)2ClPO), AI3-52364

Molecular Formula:	C₁₂H₁₀ClO₃P	Molecular Weight:	268.632761 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: BHIIGRBMZRSDRI-UHFFFAOYSA-N

• DL-ALLOISOLEUCINE

IUPAC Name: (2R,3S)-2-amino-3-methylpentanoic acid

Molecular Formula:	C₆H₁₃NO₂	Molecular Weight:	131.172920 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: AGPKZVBTJJNPAG-CRCLSJGQSA-N

• DL-Glutamic Acid

IUPAC Name: 2-aminopentanedioic acid | CAS Registry Number: 617-65-2
Synonyms: glutaminic acid, GLUTAMIC ACID, glutacid, D-glutamic acid, L-glutamic acid, Glutamicol, Glutamidex, Glutaminol, Glutaton, Aciglut, Glusate, DL-Glutamic acid, glutamate, Glutaminsaeure, Glutamic acid, DL-, D-Glutamiensuur, Glutamic acid, L-, L-glutamate, L-Glutaminic acid, 2-Aminoglutaric acid

Molecular Formula:	C₅H₉NO₄	Molecular Weight:	147.129260 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: WHUUTDBJXJRKMK-UHFFFAOYSA-N

• DL-Glutamine

IUPAC Name: 2,5-diamino-5-oxopentanoic acid | CAS Registry Number: 585-21-7
Synonyms: glutamine, L-glutamine, Levoglutamide, glumin, glutamin, DL Glutamine, Cebrogen, Stimulina, gamma-Glutamine, Hgln, D-glutamine, L-Glutamide, L-Glutamid, 2-aminoglutaramic acid, Miglu-P, Glutamine DL-form, .gamma.-Glutamine, Glutamine, DL-, Glutamic acid amide, (+-)-Glutamine

Molecular Formula:	C₅H₁₀N₂O₃	Molecular Weight:	146.144500 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: ZDXPYRJPNDTMRX-UHFFFAOYSA-N

• DL-Histidine

IUPAC Name: 2-amino-3-(1H-imidazol-5-yl)propanoic acid | CAS Registry Number: 184709-11-3
Synonyms: DL-HISTIDINE, 4998-57-6, l-(14c)histidine, L-Histidine, Free Base, 2-amino-3-(1H-imidazol-4-yl)propanoic acid, AG-F-67366, 2-amino-3-(1H-imidazol-5-yl)propanoic acid, histidina, H-DL-His-OH, DL-Histidine hydrochloridemonohydrate, D-Histidine; D-His-OH, histidin, PubChem12388, ACMC-209idm, ACMC-209ogw, SureCN3258, 123333-71-1, 6459-59-2, L-Histidine-2,5-3H, DL-HISTIDINE DI HCl

Molecular Formula:	C₆H₉N₃O₂	Molecular Weight:	155.154560 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: HNDVDQJCIGZPNO-UHFFFAOYSA-N

• DL-HYDROXYLYSINE (CAS: 13203-98-3)

• DL-Isoleucine

IUPAC Name: 2-amino-3-methylpentanoic acid | CAS Registry Number: 443-79-8
Synonyms: Isoleucine, Alloisoleucine, Isoleucine, DL-, l-isoleucine, D-Isoleucine, DL-ISOLEUCINE, Allo-Isoleucine, (R)-Isoleucine, D-Alloisoleucine, L-Alloisoleucine, DL-Alloisoleucine, L-allo-Isoleucine, Isoleucine, allo-, DL-Allo-isoleucine, L(+)-Isoleucine, Isoleucine, threo-, Alloisoleucine, D-, Alloisoleucine, L-, erythro-L-Isoleucine, L-Isoleucine, allo-

Molecular Formula:	C₆H₁₃NO₂	Molecular Weight:	131.172920 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: AGPKZVBTJJNPAG-UHFFFAOYSA-N

• Dl-Lysine

IUPAC Name: 2,6-diaminohexanoic acid | CAS Registry Number: 70-54-2
Synonyms: lysine, DL-Lysine, lysin, D-Lysine, L-lysine, (RS)-Lysine, Lysine, DL-, 2,6-diaminohexanoic acid, (+-)-Lysine, LYSINE (DL), ()-2,6-Diaminocaproic acid, L2513_SIGMA, (2R)-2,6-diaminohexanoic acid, alpha,epsilon-Diaminocaproic acid, CHEBI:25094, (+-)-2,6-Diaminohexanoic acid, DL-alpha,epsilon-Diaminocaproic acid, EINECS 200-740-6, DB03252, NCGC00164527-01

Molecular Formula:	C₆H₁₄N₂O₂	Molecular Weight:	146.187560 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: KDXKERNSBIXSRK-UHFFFAOYSA-N

• DL-Methionine

IUPAC Name: 2-amino-4-methylsulfanylbutanoic acid | CAS Registry Number: 59-51-8
Synonyms: methionine, Racemethionine, D-Methionine, L-methionine, Acimetion, Pedameth, Banthionine, Methilanin, Lobamine, Mertionin, Cynaron, Meonine, Metione, Urimeth, DL-METHIONINE, Dyprin, Neston, DL-Methioninum, metionina, Methilonin

Molecular Formula:	C₅H₁₁NO₂S	Molecular Weight:	149.211340 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: FFEARJCKVFRZRR-UHFFFAOYSA-N

• DL-Phenylalanine

IUPAC Name: 2-amino-3-phenylpropanoic acid | CAS Registry Number: 150-30-1
Synonyms: phenylalanine, D-phenylalanine, L-phenylalanine, fenilalanina, phenylalanin, Phenylalamine, DL-PHENYLALANINE, Sabiden, Polyphenylalanine, 3-Phenylalanine, Phenylalanine, dl-, DL-3-Phenylalanine, Alanine, phenyl-, Phenylalanine DL-form, (S)-Phenylalanine, 3-Phenyl-L-alanine, L-Alanine, phenyl-, .beta.-Phenylalanine, Alanine, 3-phenyl-, Alanine, phenyl-, D-

Molecular Formula:	C₉H₁₁NO₂	Molecular Weight:	165.189140 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: COLNVLDHVKWLRT-UHFFFAOYSA-N

• DL-Tartaric Acid

IUPAC Name: 2,3-dihydroxybutanedioic acid | CAS Registry Number: 133-37-9
Synonyms: tartaric acid, Traubensaure, Racemic acid, tartrate, Uvic acid, d-Tartaric acid, L-tartaric acid, Paratartaric aicd, DL-Tartrate, Threaric acid, DL-Tartaric acid, Weinsteinsaeure, (R,R)-Tartaric acid, Baros, Tartaric acid D,L, D-threaric acid, Dextrotartaric acid, (+)-Tartaric acid, D-Tartrate, Racemic tartaric acid

Molecular Formula:	C₄H₆O₆	Molecular Weight:	150.086840 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	6

InChIKey: FEWJPZIEWOKRBE-UHFFFAOYSA-N

• Dodecylbenzenesulfonyl Azide

IUPAC Name: N-diazo-2-dodecylbenzenesulfonamide | CAS Registry Number: 79791-38-1
Synonyms: AG-H-19890, p-Dodecylbenzenesulfonyl azide, KSC377A6H, CTK2H7063, N-diazo-2-dodecylbenzenesulfonamide, ACN-S002524, ACT03278, N-diazo-2-dodecyl-benzenesulfonamide, ANW-42104, AKOS015889938, LS40152, BP-13012, ST51051878, A839758, 4-Dodecylbenzenesulfonylazide;p-Dodecylbenzenesulfonyl azide;

Molecular Formula:	C₁₈H₂₉N₃O₂S	Molecular Weight:	351.506760 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: ZCRVPHKAQIHANY-UHFFFAOYSA-N

• Donepezil Hydrochloride

IUPAC Name: 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one hydrochloride | CAS Registry Number: 120011-70-3
Synonyms: Aricept, donepezil, Donepezil hydrochloride, Memorit, Eranz, Memac, Aricept Evess, BNAG, Aricept D, Aricept ODT, Aricept (TN), Ambap6383, E 2020 (pharmaceutical), C24H29NO3.HCl, MLS000758276, MLS001401387, Donepezil hydrochloride [USAN], CID5741, Donepezil hydrochloride (JAN/USAN), E-2020

Molecular Formula:	C₂₄H₃₀ClNO₃	Molecular Weight:	415.952900 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: XWAIAVWHZJNZQQ-UHFFFAOYSA-N

• Doxycycline

IUPAC Name: (2Z,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione | CAS Registry Number: 564-25-0
Synonyms: doxycycline, Doxytetracycline, Deoxymykoin, Vibramycin, Vibramycine, Vibravenos, Azudoxat, Doxitard, Doxivetin, Investin, Liviatin, Doxycen, Monodox, Ronaxan, Nordox, Spanor, Vibra-tabs, Doxy-Puren, Doxycyclin, Hydramycin

Molecular Formula:	C₂₂H₂₄N₂O₈	Molecular Weight:	444.434560 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	10

InChIKey: UEVKMCOZLJYVNG-NMMSOKQRSA-N

• e-Aminocaproic Acid

IUPAC Name: 6-aminohexanoic acid | CAS Registry Number: 60-32-2
Synonyms: aminocaproic acid, 6-aminohexanoic acid, amicar, 6-Aminocaproic acid, Acepramine, Aminokapron, Caprolisin, Epsikapron, Acepramin, Caplamin, Capracid, Capramol, Caprocid, Afibrin, Atsemin, Epsamon, epsilcapramine, Epsilcapramin, Capralense, Epsicapron

Molecular Formula:	C₆H₁₃NO₂	Molecular Weight:	131.172920 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: SLXKOJJOQWFEFD-UHFFFAOYSA-N

• Econazole Nitrate Salt

IUPAC Name: 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole; nitric acid | CAS Registry Number: 24169-02-6
Synonyms: Econazole nitrate, Spectazole, Pevaryl, Ifenec, Gyno-pevaryl, Epi-pevaryl, Palavale, Gyno-Pevaryl 150, Spectazole (TN), Prestwick_191, Econazole nitrate salt, (+-)-Econazole nitrate, Ambap2106, CCRIS 6031, MLS000028626, MLS001076561, E4632_SIGMA, Econazole nitrate (JAN/USP), SPECTRUM1501185, C18H15Cl3N2O.HNO3

Molecular Formula:	C₁₈H₁₆Cl₃N₃O₄	Molecular Weight:	444.696340 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: DDXORDQKGIZAME-UHFFFAOYSA-N

• Endo-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

IUPAC Name: (1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine | CAS Registry Number: 76272-56-5

Molecular Formula:	C₉H₁₈N₂	Molecular Weight:	154.252620 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: HTZWHTQVHWHSHN-IUCAKERBSA-N

• Erythromycin

IUPAC Name: (2R,3R,4S,5R,8R,9S,10S,11R,12R,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5-ethyl-3,4,12-trihydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-6-oxacyclotetradecane-1,7-dione | CAS Registry Number: 114-07-8
Synonyms: erythromycin, Erythromycin A, Abomacetin, Erymax, Emgel, erythro, Erythrocin, Ilotycin, Staticin, Eryacne, Erygel, Akne-Mycin, Erythromycin oxime, E-Mycin, Erythrocin stearate, T-Stat, Staticin (TN), Akne-mycin (TN), Prestwick_205, Erygel (TN)

Molecular Formula:	C₃₇H₆₇NO₁₃	Molecular Weight:	733.926780 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	14

InChIKey: ULGZDMOVFRHVEP-RWJQBGPGSA-N

• Ethyl 2,6-dichloro-5-fluoronicotinoyl acetate

IUPAC Name: ethyl 3-(2,6-dichloro-5-fluoropyridin-3-yl)-3-oxopropanoate | CAS Registry Number: 96568-04-6
Synonyms: 472271_ALDRICH, ZINC02569921, ST5307730, TL8006011, Ethyl 2,6-dichloro-5-fluoro-beta-oxo-3-pyridinepropionate, ethyl-3-(2,6-dichloro-5-fluoropyridin-3-yl)-3-oxopropanoate

Molecular Formula:	C₁₀H₈Cl₂FNO₃	Molecular Weight:	280.079823 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: IEUHWNLWVMLHHC-UHFFFAOYSA-N

• Ethyl 2-Bromooctanoate

IUPAC Name: ethyl 2-bromooctanoate | CAS Registry Number: 5445-29-4
Synonyms: Ethyl 2-bromooctanoate, Ethyl 2-bromocaprylate, 17870_ALDRICH, Octanoic acid, 2-bromoethyl ester, CID95580, NSC21989, EINECS 226-647-0

Molecular Formula:	C₁₀H₁₉BrO₂	Molecular Weight:	251.160660 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: JIQJOKSCSVMZAN-UHFFFAOYSA-N

• Ethyl 2-Iodobenzoate

IUPAC Name: ethyl 2-iodobenzoate | CAS Registry Number: 1829-28-3
Synonyms: ZINC02510130, CID2829347, BBV-24870159

Molecular Formula:	C₉H₉IO₂	Molecular Weight:	276.071030 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: QOUFDDUDXYJWHV-UHFFFAOYSA-N

• Ethyl 3-(4-(methylamino)-3-nitro-N-(pyridin-2-yl)benzamido)propanoate

IUPAC Name: ethyl 3-[[4-(methylamino)-3-nitrobenzoyl]-pyridin-2-ylamino]propanoate | CAS Registry Number: 429659-01-8
Synonyms: ethyl3-(4-(methylamino)-3-nitro-N-(pyridin-2-yl)benzamido)propanoate, PubChem18109, SureCN327138, ALA003, MolPort-005-942-341, ZINC22011559, AKOS015924422, AC-7904, RL03658, KB-77051, Y6557, Ethyl 3-[[4-(methylamino)-3-nitrobenzoyl](pyridin-2-yl)amino]propanoate, |A-Alanine, N-[4-(methylamino)-3-nitrobenzoyl]-N-2-pyridinyl-, ethyl ester, ETHYL 3-(4-(METHYLAMINO)-3-NITRO-N-(PYRIDIN-2-YL)BENZAMIDO) PROPANOATE

Molecular Formula:	C₁₈H₂₀N₄O₅	Molecular Weight:	372.375200 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	7

InChIKey: FYSFQBXGCDIVMA-UHFFFAOYSA-N

• Ethyl 4-Iodobenzoate (CAS: 51934-41-)

• Ethyl Bromodifluoroacetate

IUPAC Name: ethyl 2-bromo-2,2-difluoroacetate | CAS Registry Number: 667-27-6
Synonyms: Ethyl bromodifluoroacetate, Ethylbromodifluoroacetate, 295795_ALDRICH, 16900_FLUKA, EINECS 211-567-0, BTB 12440, ZINC01845846, Acetic acid, bromodifluoro-, ethyl ester, TL8004719

Molecular Formula:	C₄H₅BrF₂O₂	Molecular Weight:	202.982106 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: IRSJDVYTJUCXRV-UHFFFAOYSA-N

• Ethyl Phenylacetate

IUPAC Name: ethyl 2-phenylacetate | CAS Registry Number: 101-97-3
Synonyms: Ethyl phenacetate, ETHYL PHENYLACETATE, Ethyl benzeneacetate, Ethyl phenylethanoate, Ethyl alpha-toluate, Ethyl 2-phenylethanoate, Benzeneacetic acid, ethyl ester, Ethyl .alpha.-toluate, Acetic acid, phenyl-, ethyl ester, nchembio.128-comp20a, Phenylacetic acid, ethyl ester, FEMA No. 2452, alpha-Toluic acid, ethyl ester, WLN: 2OV1R, Phenylacetic acid ethyl ester, W245208_ALDRICH, Phenyl-acetic acid ethyl ester, 108049_ALDRICH, 239445_ALDRICH, Phenyl-acetic acid, ethyl ester

Molecular Formula:	C₁₀H₁₂O₂	Molecular Weight:	164.201080 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: DULCUDSUACXJJC-UHFFFAOYSA-N

• Famciclovir

IUPAC Name: [2-(acetyloxymethyl)-4-(2-aminopurin-9-yl)butyl] acetate | CAS Registry Number: 104227-87-4
Synonyms: famciclovir, Famvir, Oravir, Famvir (TN), Spectrum_000466, Famciclovirum [INN-Latin], Anti-Farnesyl Rabbit pAb, Spectrum2_001101, Spectrum3_001675, Spectrum4_000611, Spectrum5_001548, Famciclovir [USAN:BAN:INN], BSPBio_003489, KBioGR_001162, KBioSS_000946, MLS000759505, MLS001424115, SPECTRUM1505201, SPBio_001202, BRL 42810

Molecular Formula:	C₁₄H₁₉N₅O₄	Molecular Weight:	321.331760 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	9

InChIKey: GGXKWVWZWMLJEH-UHFFFAOYSA-N

• Fine Chemicals

• Folic Acid

IUPAC Name: (2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid | CAS Registry Number: 59-30-3
Synonyms: folic acid, Folate, Vitamin Bc, Vitamin M, PteGlu, Folicet, Folvite, Folcysteine, Incafolic, Pteroylglutamic acid, Acifolic, Folcidin, Folettes, Foliamin, Folsaure, Millafol, Mittafol, Cytofol, Folacid, Folacin

Molecular Formula:	C₁₉H₁₉N₇O₆	Molecular Weight:	441.397460 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	11

InChIKey: OVBPIULPVIDEAO-LBPRGKRZSA-N

• Gatifloxacin

IUPAC Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid | CAS Registry Number: 112811-59-3
Synonyms: Tequin, Gatiflo, Zymar, Gatiquin, Gatispan, Gatilox, Bonoq, Gaity, Quinolone der., GTFX, Spectrum_001909, Spectrum2_000487, Spectrum3_000999, Spectrum4_001127, Spectrum5_001468, Gatifloxacin [USAN:INN], BSPBio_002697, KBioGR_001613, KBioSS_002448, MLS000040259

Molecular Formula:	C₁₉H₂₂FN₃O₄	Molecular Weight:	375.394083 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	8

InChIKey: XUBOMFCQGDBHNK-UHFFFAOYSA-N

• Gemcitabine

IUPAC Name: 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one | CAS Registry Number: 95058-81-4
Synonyms: gemcitabine, dFdC, Gemzar, nchembio.90-comp2, DDFC, Gemzar (hydrochloride), Gemcitabine stereoisomer, Gemcitabine (USAN/INN), 2',2'-Difluorodeoxycytidine, Gemcitabinum [INN-Latin], Gemcitabina [INN-Spanish], Inno-D07001, 2',2'-DiF-dC, Gemcitabine [USAN:BAN:INN], CCRIS 8984, 2'-Deoxy-2',2'-difluorocytidine, NChemBio.2007.10-comp25, AIDS001419, AIDS-001419, CID60750

Molecular Formula:	C₉H₁₁F₂N₃O₄	Molecular Weight:	263.198146 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	7

InChIKey: SDUQYLNIPVEERB-QPPQHZFASA-N

• Gentamycin Sulphate

IUPAC Name: (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-[(1R)-1-aminoethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol; (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol; (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-[(1R)-1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol; sulfuric acid | CAS Registry Number: 1405-41-0
Synonyms: Gentamicine sulfate, Prestwick_240

Molecular Formula:	C₆₀H₁₂₅N₁₅O₂₅S	Molecular Weight:	1488.785000 [g/mol]
H-Bond Donor:	26	H-Bond Acceptor:	40

InChIKey: RDEIXVOBVLKYNT-HDZPSJEVSA-N

• GLUCUROLACTONE

IUPAC Name: (2R,3R,3aR,6aR)-2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one | CAS Registry Number: 63-29-6
Synonyms: Mannuronolactone, CID6130, D-Glucofuranuronic acid, gamma-lactone, Glucofuranuronic acid, gamma-lactone, D-, 3428-13-5

Molecular Formula:	C₆H₈O₆	Molecular Weight:	176.124120 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: OGLCQHRZUSEXNB-UAPNVWQMSA-N

• Glutamic Acid

IUPAC Name: (2S)-2-aminopentanedioic acid | CAS Registry Number: 56-86-0
Synonyms: L-glutamic acid, L-glutamate, glutaminic acid, glutacid, L-Glutaminic acid, GLUTAMIC ACID, glut, Glutamicol, Glutamidex, Glutaminol, Glutaton, Aciglut, Glusate, D-Glutamiensuur, glutamate, Gulutamine, Poly-L-glutamate, (S)-Glutamic acid, L-glu, a-Glutamic acid

Molecular Formula:	C₅H₉NO₄	Molecular Weight:	147.129260 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: WHUUTDBJXJRKMK-VKHMYHEASA-N

• Guanine

IUPAC Name: 2-amino-3,7-dihydropurin-6-one | CAS Registry Number: 73-40-5
Synonyms: guanine, Mearlmaid, Pathocidin, Guanin, Pearl essence, Guanine enol, Stella Polaris, Naturon, Dew Pearl, 2-Amino-6-hydroxypurine, cytosine, 2-Aminohypoxanthine, Natural white 1, Purine analog, 2-Amino-6-purinol, CI Natural white 1, Mearlmaid AA, Natural pearl essence, Hypoxanthine, 2-amino-, 6-Hydroxy-2-aminopurine

Molecular Formula:	C₅H₅N₅O	Molecular Weight:	151.126100 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: UYTPUPDQBNUYGX-UHFFFAOYSA-N

• H-DL-Leu-OH

IUPAC Name: 2-amino-4-methylpentanoic acid | CAS Registry Number: 328-39-2
Synonyms: leucine, L-leucine, DL-Leucine, Leucin, Leucine,d, D-LEUCINE, Leuzin, Leucine, DL-, Hleu, (R)-Leucine, Leucine, D-, 1-Leucine, (S)-Leucine, (RS)-Leucine, L(+)-Leucine, (S)-(+)-Leucine, L-(+)-Leucine, (+-)-Leucine, Norvaline, 4-methyl-, (R)-(-)-Leucine

Molecular Formula:	C₆H₁₃NO₂	Molecular Weight:	131.172920 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: ROHFNLRQFUQHCH-UHFFFAOYSA-N

• Histidine

IUPAC Name: 2-amino-3-(1H-imidazol-5-yl)propanoic acid | CAS Registry Number: 4998-57-6
Synonyms: histidine, L-histidine, histidin, histidina, DL-HISTIDINE, Anti-rheuma, glyoxaline-5-alanine, L-(-)-Histidine, HISTIDINE, L-, L-Histidine, Free Base, L-Histidine-2,5-3H, H7750_SIGMA, H8144_SIGMA, CHEBI:27570, EINECS 225-660-9, NSC137773, PDSP1_000116, PDSP2_000116, 4-(2-Amino-2-carboxyethyl)imidazole, alpha-Amino-1H-imidazole-4-propionic acid

Molecular Formula:	C₆H₉N₃O₂	Molecular Weight:	155.154560 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: HNDVDQJCIGZPNO-UHFFFAOYSA-N

• Hydroxyurea

IUPAC Name: hydroxyurea | CAS Registry Number: 127-07-1
Synonyms: hydroxyurea, Hydroxycarbamide, Hydrea, N-Hydroxyurea, Carbamoyl oxime, Litalir, Oxyurea, Droxia, Hydroxycarbamine, Onco-carbide, Biosupressin, Hydurea, Hidrix, Hydura, Hydroxicarbamidum, Urea, hydroxy-, Carbamyl hydroxamate, Carbamohydroxamic acid, Carbamohydroximic acid, Hydroxycarbamid

Molecular Formula:	CH₄N₂O₂	Molecular Weight:	76.054660 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	2

InChIKey: VSNHCAURESNICA-UHFFFAOYSA-N

• Imidocarb

IUPAC Name: 1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea | CAS Registry Number: 27885-92-3
Synonyms: Imizad (dipropionate), Imizol (dipropionate), Imidocarbe [INN-French], Imidocarbum [INN-Latin], Imidocarbo [INN-Spanish], Imidocarb [INN:BAN], Imidocarb dihydrochloride, 4A65 (dihydrochloride), Imizocarb (dihydrochloride), TimTec1_002508, C19H20N6O, CHEBI:51804, EINECS 248-711-7, NSC 51189, AIDS000226, AIDS-000226, CID21389, NSC51189, BRN 0964732, 1,3-Bis(3-(2-imidazolin-2-yl)phenyl)urea

Molecular Formula:	C₁₉H₂₀N₆O	Molecular Weight:	348.401700 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	5

InChIKey: SCEVFJUWLLRELN-UHFFFAOYSA-N

• Imidocarb dipropionate

IUPAC Name: 1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea; propanoic acid | CAS Registry Number: 55750-06-6
Synonyms: MLS001336005, MLS001336006, EINECS 259-791-8, CID114961, SMR000875323, N,N'-Bis(3-(4,5-dihydro-1H-imidazol-2-yl)phenyl)urea dipropionate, Propanoic acid, compd. with N,N'-bis(3-(4,5-dihydro-1H-imidazol-2-yl)phenyl)urea (2:1)

Molecular Formula:	C₂₂H₂₆N₆O₃	Molecular Weight:	422.480240 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	7

InChIKey: IRPJGGHUXQZOQW-UHFFFAOYSA-N

• Iminodibenzyl

IUPAC Name: 6,11-dihydro-5H-benzo[b][1]benzazepine | CAS Registry Number: 494-19-9
Synonyms: Iminobibenzyl, 2,2'-Iminobibenzyl, 2,2'-Iminodibenzyl, IMINO DIBENZYL, I1308_ALDRICH, 10,11-Dihydrodibenz[b,f]azepine, Oprea1_136738, 10,11-Dihydrodibenz(b,f)azepine, 56785_FLUKA, EINECS 207-787-1, NSC 72110, WLN: T C676 BM&T&J, RP 23669, 10,11-Dihydro-5-dibenz(b,f)azepine, 5H-Dibenz[b,f]azepine, 10,11-dihydro-, NSC72110, 10,11-Dihydro-5H-dibenz(b,f)azepine, 10,11-Dihydro-5H-dibenz[b,f]azepine, BRN 0152732, SBB003595

Molecular Formula:	C₁₄H₁₃N	Molecular Weight:	195.259720 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: ZSMRRZONCYIFNB-UHFFFAOYSA-N

• Iminostilbene Carbonyl Chloride

IUPAC Name: benzo[b][1]benzazepine-11-carbonyl chloride | CAS Registry Number: 33948-22-0
Synonyms: 548644_ALDRICH, STOCK3S-54206, ZINC00404102, Dibenz [b,f]azepine-5-carbonyl chloride, 5-(Chlorocarbonyl)-5H-dibenz[b,f]azepine, 5H-Dibenz[b,f]azepine-5-carbonyl chloride

Molecular Formula:	C₁₅H₁₀ClNO	Molecular Weight:	255.699000 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: APJYHXJGXDPGBA-UHFFFAOYSA-N

• Iso-Octyl Bromide

IUPAC Name: 3-(bromomethyl)heptane | CAS Registry Number: 18908-66-2
Synonyms: 1-Bromo-2-ethylhexane, 2-Ethylhexyl bromide, 3-(Bromomethyl)heptane, Heptane, 3-(bromomethyl)-, 249416_ALDRICH, CID86804, EINECS 242-659-9

Molecular Formula:	C₈H₁₇Br	Molecular Weight:	193.124580 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: NZWIYPLSXWYKLH-UHFFFAOYSA-N

• Isoconazole Nitrate

IUPAC Name: 1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole; nitric acid | CAS Registry Number: 24168-96-5
Synonyms: isoconazole nitrate, Travogen, Travogyn, Fazol, Adestan-G, Adestan G100, Adestan-G (TN), Isoconazole nitrate (JAN), C18H14Cl4N2O.HNO3, EINECS 246-051-4, LS-78380, D01480, R 15,454, R-15454, 1-(2,4-Dichloro-beta-(2,6-dichlorobenzyloxy)phenethyl)imidazole nitrate, 1-(2-((2,6-Dichlorobenzyl)oxy)-2-(2,4-dichlorophenyl)ethyl)imidazole nitrate, 1-(2-(2,4-Dichlorophenyl)-2-((2,6-dichlorophenyl)methoxy)ethyl)-1H-imidazole mononitrate, 1H-Imidazole, 1-(2-(2,4-dichlorophenyl)-2-((2,6-dichlorophenyl)methoxy)ethyl)-, mononitrate, Imidazole, 1-(2,4-dichloro-beta-((2,6-dichlorobenzyl)oxy)phenethyl)-, mononitrate, 27523-40-6

Molecular Formula:	C₁₈H₁₅Cl₄N₃O₄	Molecular Weight:	479.141400 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: NNGQLSIGRSTLLU-UHFFFAOYSA-N