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• Acetyl-L-carnitine hydrochloride

IUPAC Name: 3-acetyloxy-4-(trimethylazaniumyl)butanoate hydrochloride | CAS Registry Number: 5080-50-2
Synonyms: o-Acetyl-L-carnitine hydrochloride, Acetylcarnitine L-form hydrochloride, 1-Propanaminium, 2-(acetyloxy)-3-carboxy-N,N,N-trimethyl-, chloride, (R)-

Molecular Formula:	C₉H₁₈ClNO₄	Molecular Weight:	239.696520 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: JATPLOXBFFRHDN-UHFFFAOYSA-N

• Acetylcysteine

IUPAC Name: (2R)-2-acetamido-3-sulfanylpropanoic acid | CAS Registry Number: 616-91-1
Synonyms: acetylcysteine, N-Acetyl-L-cysteine, N-Acetylcysteine, Broncholysin, Acetadote, Fluimucil, Mucomyst, Parvolex, Airbron, Mucosil, Brunac, Fabrol, mercapturic acid, L-Acetylcysteine, Fluimucetin, Flumucetin, Mucosolvin, Fluprowit, Lysomucil, Mucofilin

Molecular Formula:	C₅H₉NO₃S	Molecular Weight:	163.194860 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: PWKSKIMOESPYIA-BYPYZUCNSA-N

• Acyclovir

IUPAC Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one | CAS Registry Number: 59277-89-3
Synonyms: acyclovir, Acycloguanosine, Aciclovir, Zovirax, Virorax, Vipral, Aciclovier, Viropump, Virolex, Genvir, Maynar, AcycloFoam, Wellcome-248U, Aciclovir sodium, Acyclovir Lauriad, Prestwick_6, Acyclovir [USAN], 1pwy, Aciclovirum [Latin], Acyclovir (USP)

Molecular Formula:	C₈H₁₁N₅O₃	Molecular Weight:	225.204640 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	7

InChIKey: MKUXAQIIEYXACX-UHFFFAOYSA-N

• Amikacin

IUPAC Name: (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide | CAS Registry Number: 37517-28-5
Synonyms: amikacin, Amicacin, Amikavet, Kaminax, Lukadin, Mikavir, Pierami, Amiglyde-V, Arikace, Briclin, Novamin, Amikacin Base, Amikacin Dihydrate, Antibiotic BB-K 8, Amikacine [INN-French], Amikacinum [INN-Latin], Amikin (Disulfate), AMIKACIN SULFATE, Amikacina [INN-Spanish], BB-K8

Molecular Formula:	C₂₂H₄₃N₅O₁₃	Molecular Weight:	585.602520 [g/mol]
H-Bond Donor:	13	H-Bond Acceptor:	17

InChIKey: LKCWBDHBTVXHDL-RMDFUYIESA-N

• Amikacin disulfate

IUPAC Name: (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide; sulfuric acid | CAS Registry Number: 39831-55-5
Synonyms: Amikin, Amikafur, Biodacyn, Chemacin, Fabianol, Amitrex, Kaminax, Likacin, Lukadin, Pierami, Biklin, Kancin-Gap, AMIKACIN SULFATE, Amikacin bis(sulphate), Amikin (TN), Amikacin disulfate salt, Antibiotic BB-K8 sulfate, Amikacin sulfate [USAN:JAN], NN-K 8, A1774_SIGMA

Molecular Formula:	C₂₂H₄₇N₅O₂₁S₂	Molecular Weight:	781.759480 [g/mol]
H-Bond Donor:	17	H-Bond Acceptor:	25

InChIKey: FXKSEJFHKVNEFI-GCZBSULCSA-N

• Amoxicillin trihydrate

IUPAC Name: (2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid trihydrate | CAS Registry Number: 61336-70-7
Synonyms: amoxicillin, Amoxil, Amoksicillin, Kentrocyllin, Matasedrin, Novabritine, Paradroxil, Zamocillin, Zamocilline, Amoxidal, Amoxillat, Amoxipen, Augmentin, Benzoral, Clamoxyl, Flemoxine, Galenamox, Gramidil, Hiconcil, Himinomax

Molecular Formula:	C₁₆H₂₅N₃O₈S	Molecular Weight:	419.450000 [g/mol]
H-Bond Donor:	7	H-Bond Acceptor:	9

InChIKey: MQXQVCLAUDMCEF-CWLIKTDRSA-N

• Aplodan

IUPAC Name: 2-[carbamimidoyl(methyl)amino]ethyl dihydrogen phosphate | CAS Registry Number: 6903-79-3
Synonyms: Creatinolfosfate, Creatinol phosphate, Creatinol O-phosphate, Creatinolfosfate [INN], Creatinolfosfate (INN), Creatinolfosfatum [INN-Latin], Creatinolfosfato [INN-Spanish], Creatinolo O-fosfato [Italian], EINECS 230-011-8, CID23342, BRN 1911880, N-Methyl-N-(2-(phosphonooxy)ethyl)guanidine, LS-73707, D07162, N-Methyl-N-(beta-hydroxyethyl)guanidine O-phosphate, Guanidine, N-methyl-N-(2-(phosphonooxy)ethyl)-,, N-Methyl-N-(beta-hydroxyaethyl)guanidine-O-phosphat [German], Guanidine, N-methyl-N-(2-(phosphonooxy)ethyl)-, (9CI), 1-(2-Hydroxyethyl)-1-methylguanidine dihydrogen phosphate (ester), GUANIDINE, 1-(2-HYDROXYETHYL)-1-METHYL-, DIHYDROGEN PHOSPHATE (ester)

Molecular Formula:	C₄H₁₂N₃O₄P	Molecular Weight:	197.129541 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	7

InChIKey: FOIPWTMKYXWFGC-UHFFFAOYSA-N

• Arbutin

IUPAC Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol | CAS Registry Number: 497-76-7
Synonyms: arbutin, Uvasol, Ursin, Arbutoside, beta-Arbutin, p-Arbutin, Spectrum_000786, SpecPlus_000314, Prestwick3_001026, Spectrum2_000662, Spectrum3_001233, Spectrum4_001474, Spectrum5_000147, BSPBio_001211, BSPBio_002706, KBioGR_002047, KBioSS_001266, SPECTRUM300539, A4256_SIGMA, DivK1c_006410

Molecular Formula:	C₁₂H₁₆O₇	Molecular Weight:	272.251240 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	7

InChIKey: BJRNKVDFDLYUGJ-RMPHRYRLSA-N

• Arginine Aspartate

IUPAC Name: 2-aminobutanedioic acid; (2R)-2-amino-5-(diaminomethylideneamino)pentanoic acid | CAS Registry Number: 7675-83-4
Synonyms: ARGININE ASPARTATE, L-Arginine, L-aspartate, EINECS 231-656-8, CID24325, LS-21578, L-Aspartic acid, compd. with L-arginine (1:1), L-Aspartic acid, compound with L-arginine (1:1), 3054-35-1

Molecular Formula:	C₁₀H₂₁N₅O₆	Molecular Weight:	307.303640 [g/mol]
H-Bond Donor:	7	H-Bond Acceptor:	11

InChIKey: SUUWYOYAXFUOLX-PGMHMLKASA-N

• Azithromycin hydrate

IUPAC Name: (2R,3S,4S,5R,6R,8R,11R,12R,13S,14R)-5-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-6,12,13-trihydroxy-3-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,4,6,8,10,11,13-heptamethyl-15-oxa-10-azacyclopentadecan-1-one dihydrate | CAS Registry Number: 117772-70-0
Synonyms: azithromycin, Toraseptol, Zenstavion, Ribotrex, Zithromax, Azadose, Ultreon, Azatek, Azitro, Vinzam, Goxal, Zmax, AZITHROMYCIN DIHYDRATE, Zithromax (azithromycin), Azithromycin [USAN:INN:BAN], CHEBI:34546, XZ-450, C38H72N2O12.3H2O, CP 62993, TROVAN/ZITHROMAX COMPLIANCE PAK

Molecular Formula:	C₃₈H₇₆N₂O₁₄	Molecular Weight:	785.015040 [g/mol]
H-Bond Donor:	7	H-Bond Acceptor:	16

InChIKey: SRMPHJKQVUDLQE-KUJJYQHYSA-N

• Benzophenones

IUPAC Name: di(phenyl)methanone | CAS Registry Number: 119-61-9
Synonyms: BENZOPHENONE, Diphenyl ketone, diphenylmethanone, Benzoylbenzene, Phenyl ketone, Methanone, diphenyl-, alpha-Oxoditane, Ketone, diphenyl, Diphenylketone, Benzene, benzoyl-, 1dzp, alpha-Oxodiphenylmethane, .alpha.-Oxoditane, di(phenyl)methanone, Caswell No. 081G, WLN: RVR, .alpha.-Oxodiphenylmethane, CCRIS 629, UPCMLD-DP071, BENZOPHENONE (8CI)

Molecular Formula:	C₁₃H₁₀O	Molecular Weight:	182.217900 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: RWCCWEUUXYIKHB-UHFFFAOYSA-N

• Bestatin

IUPAC Name: (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoic acid | CAS Registry Number: 58970-76-6
Synonyms: Ubenimex, Ubestatin, Ubenimexum [Latin], 1txr, Ubenimex [INN:JAN], Bestatin hydrochloride, Tocris-1956, Lopac0_000214, BSPBio_001553, KBioGR_000273, KBioSS_000273, MLS000028649, MLS001424177, 482609_ALDRICH, BCBcMAP01_000178, EINECS 261-529-2, KBio2_000273, KBio2_002841, KBio2_005409, KBio3_000545

Molecular Formula:	C₁₆H₂₄N₂O₄	Molecular Weight:	308.372760 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	5

InChIKey: VGGGPCQERPFHOB-RDBSUJKOSA-N

• Betaine

IUPAC Name: 2-(trimethylazaniumyl)acetate | CAS Registry Number: 107-43-7
Synonyms: betaine, glycine betaine, oxyneurine, lycine, Abromine, Glycylbetaine, Trimethylglycine, Trimethylglycocoll, Jortaine, acidin-pepsin, Glycocoll betaine, alpha-Earleine, Cystadane, Rubrine C, Aminocoat, Greenstim, Betafin, FinnStim, Loramine AMB 13, Betaine solution

Molecular Formula:	C₅H₁₁NO₂	Molecular Weight:	117.146340 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: KWIUHFFTVRNATP-UHFFFAOYSA-N

• Betaine chloride

IUPAC Name: carboxymethyl(trimethyl)azanium chloride | CAS Registry Number: 590-46-5
Synonyms: Betaine hydrochloride, Acidogeno, Acipepsol, Pluchine, Achylin, Acinorm, Acidin, Acidol, Acidol-Pepsin, Aciventral forte, Cystadane, Cystdane, Mixture Name, ACIDINE, Acidol hydrochloride, Cystdane (TN), Lycine hydrochloride, Rubrine C hydrochloride, component of Normacid, BETAINE HYDRATE

Molecular Formula:	C₅H₁₂ClNO₂	Molecular Weight:	153.607280 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: HOPSCVCBEOCPJZ-UHFFFAOYSA-N

• Biotin

IUPAC Name: 5-[(3aR,6S,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]pentanoic acid | CAS Registry Number: 58-85-5
Synonyms: biotin, d-biotin, coenzyme R, vitamin H, Bioepiderm, Vitamin B7, Biodermatin, Medebiotin, Injacom H, Meribin, Factor S, beta-Biotin, Vitamin Bw, Bios II, 1avd, 1ndj, 1stp, 1swg, 1swk, 1swn

Molecular Formula:	C₁₀H₁₆N₂O₃S	Molecular Weight:	244.310640 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: YBJHBAHKTGYVGT-ZKWXMUAHSA-N

• Captopril

IUPAC Name: (2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid | CAS Registry Number: 62571-86-2
Synonyms: captopril, Captopryl, Capoten, L-Captopril, Cesplon, Acepress, Alopresin, Capozide, Captolane, Captoril, Garranil, Hypertil, Tenosbon, Tensoprel, Acediur, Aceplus, Acepril, Dilabar, Lopril, Isopresol

Molecular Formula:	C₉H₁₅NO₃S	Molecular Weight:	217.285300 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: FAKRSMQSSFJEIM-RQJHMYQMSA-N

• Carbo Cysteine

IUPAC Name: 2-amino-3-(carboxymethylsulfanyl)propanoic acid | CAS Registry Number: 638-23-3
Synonyms: carbocysteine, Broncodeterge, Carbocisteine, Transbronchin, Lisomucil, Rhinathiol, Fluifort, Loviscol, Muciclar, Mucodyne, Reomucil, Rinatiol, Thiodril, Mucocis, Mucofan, Bronchokod, Mucojet sirup, Mucolex sirup, Superthiol sirup, Carbocysteinum

Molecular Formula:	C₅H₉NO₄S	Molecular Weight:	179.194260 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: GBFLZEXEOZUWRN-UHFFFAOYSA-N

• Carbobenzoxyphenylalanine

IUPAC Name: 3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid | CAS Registry Number: 1161-13-3
Synonyms: Z-DL-phenylalanine, Z-DL-Phe-OH, Oprea1_877431, MLS000112276, ARONIS001782, 97005_FLUKA, N-carbobenzyloxy-dl-phenylalanine, EINECS 222-726-9, NSC333486, NSC402059, NSC522449, N-Benzyloxycarbonyl-DL-3-phenylalanine, SMR000108190, ST054635, DL-Phenylalanine, N-((phenylmethoxy)carbonyl)-, DL-Phenylalanine, N-[(phenylmethoxy)carbonyl]-, L-Phenylalanine, N-[(phenylmethoxy)carbonyl]-, 3-phenyl-2-phenylmethoxycarbonylaminopropanoic acid, Alanine, N-carboxy-3-phenyl-, N-benzyl ester, L-, 3588-57-6

Molecular Formula:	C₁₇H₁₇NO₄	Molecular Weight:	299.321180 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: RRONHWAVOYADJL-UHFFFAOYSA-N

• Carbobenzoxyproline

IUPAC Name: 1-(phenylmethoxycarbonyl)pyrrolidine-2-carboxylic acid | CAS Registry Number: 1148-11-4
Synonyms: Z-Pro-OH, TimTec1_001181, Oprea1_191697, MLS000088443, 1-[(benzyloxy)carbonyl]proline, ARONIS013014, ALBB-006254, NSC29728, NSC76053, NCGC00174703-01, SMR000024063, ST016345, TL8000426, 1,2-Pyrrolidinedicarboxylic acid, 1-benzyl ester, L-, 1-[(benzyloxy)carbonyl]pyrrolidine-2-carboxylic acid, 1,2-Pyrrolidinedicarboxylic acid, 1-(phenylmethyl) ester, (S)-, 3160-46-1

Molecular Formula:	C₁₃H₁₅NO₄	Molecular Weight:	249.262500 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: JXGVXCZADZNAMJ-UHFFFAOYSA-N

• Carbobenzyloxy-l-Alanine

IUPAC Name: 2-(phenylmethoxycarbonylamino)propanoic acid | CAS Registry Number: 1142-20-7
Synonyms: N-Cbz-DL-alanine, N-Carbobenzoxyalanine, Carbobenzoxy-L-alanine, Z-DL-Ala-OH, N-Carbobenzoxy-L-alanine, Carbobenzyloxy-DL-alanine, N-Benzyloxycarbonylalanine, (Benzyloxycarbonyl)alanine, N-Carbobenzyloxy-d-alanine, Benzyloxycarbonyl-L-alanine, N-Benzoxycarbonyl-L-alanine, N-[(Benzyloxy)carbonyl]alanine, NCIOpen2_005571, N-Benzyloxycarbonyl-DL-alanine, 850691_ALDRICH, 95860_FLUKA, N-[(Benzyloxy)carbonyl]-L-alanine, NSC88469, EINECS 223-953-6, NSC156978

Molecular Formula:	C₁₁H₁₃NO₄	Molecular Weight:	223.225220 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: TYRGLVWXHJRKMT-UHFFFAOYSA-N

• Casein

Synonyms: Casein, tech.

Molecular Formula:	C₈₁H₁₂₅N₂₂O₃₉P	Molecular Weight:	2061.956962 [g/mol]
H-Bond Donor:	37	H-Bond Acceptor:	61

InChIKey: BECPQYXYKAMYBN-UHFFFAOYSA-N

• Celecoxib

IUPAC Name: 4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide | CAS Registry Number: 169590-42-5
Synonyms: celecoxib, Celebrex, Celebra, Celocoxib, Celecox, Onsenal, Solexa, Celebrex (TN), Celecoxib [USAN], Spectrum_000432, 1oq5, Mack brand of celecoxib, Pfizer brand of celecoxib, Searle brand of celecoxib, Spectrum2_001576, Spectrum3_001996, Spectrum4_000182, Spectrum5_001324, Heumann brand of celecoxib, YM177

Molecular Formula:	C₁₇H₁₄F₃N₃O₂S	Molecular Weight:	381.372170 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: RZEKVGVHFLEQIL-UHFFFAOYSA-N

• Creatine monohydrate

IUPAC Name: 2-[carbamimidoyl(methyl)amino]acetic acid hydrate | CAS Registry Number: 6020-87-7
Synonyms: Creatine hydrate, Creatine, monohydrate, C3630_SIGMA, LS-72266, Glycine, N-(aminoiminomethyl)-N-methyl-, monohydrate, N-(Aminoiminomethyl)-N-methylglycine monohydrate

Molecular Formula:	C₄H₁₁N₃O₃	Molecular Weight:	149.148440 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	6

InChIKey: MEJYXFHCRXAUIL-UHFFFAOYSA-N

• Cupferron

IUPAC Name: azanium N-oxido-N-phenylnitrous amide | CAS Registry Number: 135-20-6
Synonyms: CUPFERRON, Kupferon, Ammonium cupferron, Cupferon [Czech], Kupferron [Czech], Cupferron, ammonium salt, CCRIS 184, 675636_ALDRICH, Ammonium-N-nitrosophenylhydroxylamine, HSDB 4109, ammonium 2-oxo-1-phenylhydrazinolate, Ammonium nitrosophenylhydroxylamine, NCI-C03258, Ammonium N-nitrosophenylhydroxylamine, EINECS 205-183-2, LS-787, CID2724103, NSC 112124, Ammonium nitroso-beta-phenylhydroxylamine, N-Nitroso-N-phenylhydroxylamine ammonium salt

Molecular Formula:	C₆H₉N₃O₂	Molecular Weight:	155.154560 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: GDEBSAWXIHEMNF-UHFFFAOYSA-O

• Cycloheximide

IUPAC Name: 4-[(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione | CAS Registry Number: 66-81-9
Synonyms: cycloheximide, Cicloheximide, Hizarocin, Actidion, Kaken, Actispray, Naramycin, Actidone, Neocycloheximide, Acti-Aid, Actidione PM, NARAMYCIN A, Acti-Dione, Actidione BR, Cyclohemimide, Cyclohexamide, Cycloheximid, Zykloheximid, ACTIDIONE, Actidione TGF

Molecular Formula:	C₁₅H₂₃NO₄	Molecular Weight:	281.347420 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: YPHMISFOHDHNIV-FSZOTQKASA-N

• D-Glucuronic acid lactone

IUPAC Name: (2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetaldehyde | CAS Registry Number: 32449-92-6
Synonyms: Glucurone, Guronsan, glucuronolactone, Glucuronosan, Dicurone, Glucuron, Gluronsan, Glucoxy, D-Glucuronolactone, GLUCUROLACTONE, D-Glucurone, Guronsan (VAN), Reulatt S.S, Guronsan (TN), Reulatt S.S., Glucuronic acid lactone, Glucurono-6,3-lactone, D-Glucurono-3,6-lactone, D-Glucurono-6,3-lactone, Glucuronolactone (VAN)

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

InChIKey: UYUXSRADSPPKRZ-SKNVOMKLSA-N

• D-Tartaric Acid Dimethyl Ester

IUPAC Name: dimethyl (2S,3S)-2,3-dihydroxybutanedioate | CAS Registry Number: 13171-64-7
Synonyms: Dimethyl d-tartrate, 242942_ALDRICH, DIMETHYL TARTRATE (MESO), Dimethyl (S(R*,R*))-tartrate, meso-tartaric acid, dimethyl ester, (−)-Dimethyl D-tartrate, EINECS 236-118-6, ZINC01555575, D-(−)-Tartaric acid dimethyl ester, 5057-96-5, 608-68-4, InChI=1/C6H10O6/c1-11-5(9)3(7)4(8)6(10)12-2/h3-4,7-8H,1-2H3/t3-,4-/m0/s

Molecular Formula:	C₆H₁₀O₆	Molecular Weight:	178.140000 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: PVRATXCXJDHJJN-IMJSIDKUSA-N

• Demecarium bromide

IUPAC Name: trimethyl-[3-[methyl-[10-[methyl-[3-(trimethylazaniumyl)phenoxy]carbonylamino]decyl]carbamoyl]oxyphenyl]azanium dibromide | CAS Registry Number: 56-94-0
Synonyms: Humorsol, Frumtosnil, Visumiotic, Tosmicil, Tosmilen, Tosmilene, Visumatic, Tonilen, demecastigmine, Demecarium, Demekarium bromide, DEMECARIUM BROMIDE, Demekastigmine bromide, Humorsol (TN), Demecarii bromidum [INN-Latin], HSDB 2168, Demecarium bromide (USP/INN), Demecarium bromide [BAN:INN], Demecarium bromide [INN:BAN], BC 48

Molecular Formula:	C₃₂H₅₂Br₂N₄O₄	Molecular Weight:	716.587680 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: YHKBUDZECQDYBR-UHFFFAOYSA-L

• Di-p-Toluoyl-d-Tartaric Acid

IUPAC Name: (2S,3S)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid | CAS Registry Number: 32634-68-7
Synonyms: Di-p-toluoyl-D-tartaric acid, MLS001165767, 302813_ALDRICH, 43822_FLUKA, L-DI-P-TOLULTARTARIC ACID, NSC97592, KS-1018, ()-Di-O,O'-p-toluyl-D-tartaric acid, ()-O,O'-Di-p-toluoyl-D-tartaric acid, SMR000550472, (2S,3S)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid

Molecular Formula:	C₂₀H₁₈O₈	Molecular Weight:	386.352120 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	8

InChIKey: CMIBUZBMZCBCAT-HOTGVXAUSA-N

• Diethyl-D-(-)-Tartrate

IUPAC Name: diethyl (2R,3S)-2,3-dihydroxybutanedioate | CAS Registry Number: 13811-71-7
Synonyms: DIETHYL-D-TARTRATE, Diethyl 2,3-dihydroxysuccinate, ZINC01648297, Butanedioic acid, 2,3-dihydroxy-, diethyl ester, 87-91-2, InChI=1/C8H14O6/c1-3-13-7(11)5(9)6(10)8(12)14-4-2/h5-6,9-10H,3-4H2,1-2H

Molecular Formula:	C₈H₁₄O₆	Molecular Weight:	206.193160 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: YSAVZVORKRDODB-OLQVQODUSA-N

• Diisopropyl tartrate

IUPAC Name: dipropan-2-yl 2,3-dihydroxybutanedioate | CAS Registry Number: 2217-15-4
Synonyms: Di-isopropyl tartrate, Diisopropyl d-tartrate, (+)-Diisopropyl tartrate, Tartaric acid, diisopropyl ester, EINECS 218-709-0, BRN 1727863, NSC406502, LS-148579, 2-03-00-00331 (Beilstein Handbook Reference), Butanedioic acid, 2,3-dihydroxy-, bis(1-methylethyl) ester, [S-(R*,R*)]-, 91007-92-0

Molecular Formula:	C₁₀H₁₈O₆	Molecular Weight:	234.246320 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: XEBCWEDRGPSHQH-UHFFFAOYSA-N

• Diisopropyl-D-Tartrate

IUPAC Name: dipropan-2-yl (2S,3S)-2,3-dihydroxybutanedioate | CAS Registry Number: 62961-64-2
Synonyms: 227803_ALDRICH, 95367_FLUKA, EINECS 263-771-4, Diisopropyl (S-(R*,R*))-tartrate, ZINC01599248, (−)-Diisopropyl D-tartrate, D-(−)-Tartaric acid diisopropyl ester, (S-(R*,R*))-2,3-Dihydroxybutanedioic acid, bis(1-methylethyl) ester, Butanedioic acid, 2,3-dihydroxy-, bis(1-methylethyl) ester, (S-(R*,R*))-

Molecular Formula:	C₁₀H₁₈O₆	Molecular Weight:	234.246320 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: XEBCWEDRGPSHQH-YUMQZZPRSA-N

• Dimethyl sulfone

IUPAC Name: methylsulfonylmethane | CAS Registry Number: 67-71-0
Synonyms: Methyl sulfone, Sulfonylbismethane, Methane, sulfonylbis-, Dimethyl sulphone, Methylsulfonylmethane, sulfonyldimethane, Sulphonylbismethane, DIMETHYLSULFONE, Methylsulfonyl methane, methyl sulfonmethane, methylsulfonyl-methane, Ambap7494, Methyl sulfone (8CI), MolMap_000019, CCRIS 2938, C2H6O2S, M81705_ALDRICH, SPECTRUM1505358, CID6213, CHEBI:9349

Molecular Formula:	C₂H₆O₂S	Molecular Weight:	94.132840 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: HHVIBTZHLRERCL-UHFFFAOYSA-N

• Diosmin

IUPAC Name: 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one | CAS Registry Number: 520-27-4
Synonyms: diosmin, Diosmin [INN], Diosmin [INN-Spanish], Diosmine [INN-French], Diosminum [INN-Latin], Diosmetin 7-O-rutinoside, MLS001304032, CCRIS 7915, STOCK1N-14729, AIDS059330, AIDS-059330, EINECS 208-289-7, CID5281613, SMP1_000183, SMR000718616, LS-193056, C10039, 4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-.alpha.-L-mannopyranosyl)-.beta.- D-glucopyranosyl)oxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, 4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-

Molecular Formula:	C₂₈H₃₂O₁₅	Molecular Weight:	608.544680 [g/mol]
H-Bond Donor:	8	H-Bond Acceptor:	15

InChIKey: GZSOSUNBTXMUFQ-YFAPSIMESA-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

• Evodiamine

Synonyms: Evodiamine, Evodia rutaecarpa, BB_NC-1930, CID442088, ZINC00898159, C09187
Molecular Formula: C₁₉H₁₇N₃O Molecular Weight: 303.357780 [g/mol]
H-Bond Donor: 1 H-Bond Acceptor: 3

InChIKey: TXDUTHBFYKGSAH-SFHVURJKSA-N

• Frusemide

IUPAC Name: 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid | CAS Registry Number: 54-31-9
Synonyms: furosemide, Lasix, Furanthril, Furosemid, Fursemide, Errolon, Fusid, Fuluvamide, Furanthryl, Macasirool, Furantril, Lowpstron, Aisemide, Beronald, Desdemin, Frusemid, Frusemin, Fursemid, Prefemin, Rosemide

Molecular Formula:	C₁₂H₁₁ClN₂O₅S	Molecular Weight:	330.744140 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	7

InChIKey: ZZUFCTLCJUWOSV-UHFFFAOYSA-N

• Glycocyamine

IUPAC Name: 2-(diaminomethylideneamino)acetic acid | CAS Registry Number: 352-97-6
Synonyms: glycocyamine, guanidinoacetic acid, Betacyamine, Betasyamine, Glykocyamin, Guanyl glycine, Guanidineacetic acid, N-amidinoglycine, guanidinoacetate, Guanidoacetic acid, Guanidylacetic acid, N-Guanylglycine, GLYCINE, N-AMIDINO-, Guanidine, (carboxymethyl)-, GUANIDINO ACETATE, N-(carbamimidoyl)glycine, glycine, N-(aminoiminomethyl)-, (carbamimidamido)acetic acid, 2-carbamimidamidoacetic acid, .alpha.-Guanidinoacetic acid

Molecular Formula:	C₃H₇N₃O₂	Molecular Weight:	117.106580 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: BPMFZUMJYQTVII-UHFFFAOYSA-N

• Hordenine

IUPAC Name: 4-(2-dimethylaminoethyl)phenol | CAS Registry Number: 539-15-1
Synonyms: N,N-Dimethyltyramine, p-(2-Dimethylaminoethyl)phenol, 4-[2-(Dimethylamino)ethyl]phenol, CHEBI:5764, 4-(2-Dimethylaminoethyl)phenol, STOCK1N-06824, 6027-23-2 (hydrochloride), Phenol, p-[2-(dimethylamino)ethyl]-, CID68313, Phenol, 4-[2-(dimethylamino)ethyl]-, EINECS 208-710-4, 3595-05-9 (unspecified sulfate), 622-64-0 (sulfate[2:1]), NCGC00160162-01, NCGC00160162-02, 62493-39-4 (sulfate[1:1]), N,N-Dimethyl-2-(4-hydroxyphenyl)ethylamine, N,N-Dimethyl-4-hydroxy-beta-phenethylamine, C06199, I01-1790

Molecular Formula:	C₁₀H₁₅NO	Molecular Weight:	165.232200 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: KUBCEEMXQZUPDQ-UHFFFAOYSA-N

• Hyaluronic acid

IUPAC Name: (2S,3S,4R,5R,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methoxyoxane-2-carboxylate | CAS Registry Number: 9004-61-9
Synonyms: hyaluronate, HYALURONIC ACID, [beta-N-acetyl-D-glucosaminyl(1->4)beta-D-glucuronosyl(1->3)](n)

Molecular Formula:	C₁₅H₂₄NO₁₂-	Molecular Weight:	410.350560 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	12

InChIKey: GXMRSXSVVLWYCI-XTLSIONJSA-M

• Hyaluronic acid sodium

IUPAC Name: sodium (2S,3S,4R,5R,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4-[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid | CAS Registry Number: 9067-32-7
Synonyms: Legend, Healon, Sodium hyaluronate, Hyalurone sodium, Hyalgan, Hyaluronate Sodium, Equron (Veterinary), Synacid (veterinary), Legend (TN), Nrd101, Hyaluronic acid, sodium salt, Sodium hyaluronate (JAN), Hyaluronate sodium (USAN), CCRIS 4127, Hyaluronate Sodium [USAN:JAN], SI-4402, SL-1010, LS-75959, D03354, SPH

Molecular Formula:	C₂₈H₄₄N₂NaO₂₃+	Molecular Weight:	799.638330 [g/mol]
H-Bond Donor:	14	H-Bond Acceptor:	23

InChIKey: YWIVKILSMZOHHF-QJZPQSOGSA-N

• Idebenone

IUPAC Name: 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione | CAS Registry Number: 58186-27-9
Synonyms: idebenone, Cerestabon, Sovrima, Catena, Mnesis, Avan, Idebenonum [Latin], Idebenona [Spanish], Idebenone [INN:JAN], Idebenone (JAN/INN), SNT-MC17, MLS000759487, MLS001424002, QSA-10, BB_NC-1322, C19H30O5, CV 2619, CV-2619, BRN 2001459, ZINC01542890

Molecular Formula:	C₁₉H₃₀O₅	Molecular Weight:	338.438500 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: JGPMMRGNQUBGND-UHFFFAOYSA-N

• Ivermectin

Synonyms: IVERMECTIN, 22,23-Dihyroavermectin B1, 22,23-Dihydroxy-avermectin B, DB00602, 5-O-demethyl-22,23-dihydro-avermectin A1a, C07970

Molecular Formula:	C₉₅H₁₄₆O₂₈	Molecular Weight:	1736.158940 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	28

InChIKey: SPBDXSGPUHCETR-MVGRHBATSA-N

• Kojic Acid Dipalmitate

IUPAC Name: (5-hexadecanoyloxy-4-oxopyran-2-yl)methyl hexadecanoate | CAS Registry Number: 79725-98-7
Synonyms: Kojic acid dipalmitate, (4-Oxo-5-(palmitoyloxy)-4H-pyran-2-yl)methyl palmitate, KSC923Q6F, CTK8C3862, ANW-70713, AKOS016007920, AK105268, M596, KB-208390, K0050, K-7050, 5-(Palmitoyloxy)-2-[(palmitoyloxy)methyl]-4H-pyran-4-one

Molecular Formula:	C₃₈H₆₆O₆	Molecular Weight:	618.927040 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: SGEADTGIZKXPIP-UHFFFAOYSA-N

• L(+)-Asparagine monohydrate

IUPAC Name: N-[2-chloro-4-[(4-chlorophenyl)methylideneamino]phenyl]-4-[(4-chlorophenyl)methylideneamino]benzamide | CAS Registry Number: 5794-13-8
Synonyms: A0770/0035992

Molecular Formula:	C₂₇H₁₈Cl₃N₃O	Molecular Weight:	506.810320 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: PTQUEGJYEQODAW-UHFFFAOYSA-N

• L-(+)-Dibenzoyl Tartraric Acid

IUPAC Name: (2R,3R)-2,3-bis(benzoyloxy)butanedioic acid | CAS Registry Number: 2743-38-6
Synonyms: Dibenzoyl-L-tartaric acid, Dibenzoyltartaric acid, Dibenzoyl d-tartaric acid, Tartaric acid, dibenzoate, (-)-Dibenzoyl tartaric acid, MLS001055407, 345849_ALDRICH, O,O-Dibenzoyl-(+)-tartaric acid, Tartaric acid, dibenzoate, (-)-, (-)-Dibenzoyl-L(+)-tartaric acid, 33620_FLUKA, DIBENZOIL-L-TARTARIC ACID, EINECS 220-374-0, L-Tartaric acid 2,3-dibenzoate, 2,3-Bis(benzoyloxy)tartaric acid, Dibenzoyl-L-tartaric acid monohydrate, NSC 118224, BRN 0709854, NCGC00091026-01, SMR001227193

Molecular Formula:	C₁₈H₁₄O₈	Molecular Weight:	358.298960 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	8

InChIKey: YONLFQNRGZXBBF-ZIAGYGMSSA-N

• L-Alanine

IUPAC Name: (2S)-2-aminopropanoic acid | CAS Registry Number: 56-41-7
Synonyms: alanine, L-alanine, L-alpha-alanine, (S)-Alanine, polyalanine, L-2-Aminopropionic acid, 2-Aminopropionic acid, alpha-Alanine, L-(+)-Alanine, Alaninum [Latin], a-Alanine, D-alpha-Alanine, Poly-L-alanine, Poly-DL-alanine, (L)-Alanine, L-Alanin, Alanine (VAN), DL-alpha-Alanine, L-2-Aminopropanoic acid, L-a-Alanine

Molecular Formula:	C₃H₇NO₂	Molecular Weight:	89.093180 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: QNAYBMKLOCPYGJ-REOHCLBHSA-N

• L-Arginine

IUPAC Name: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid | CAS Registry Number: 74-79-3
Synonyms: L-arginine, arginine, L-(+)-Arginine, Polyarginine, Detoxargin, Argamine, Argivene, DL-Arginine, Levargin, Minophagen A, Poly(L-arginine), (L)-Arginine, Arginine (VAN), L-Arginin, L-Arg, 1laf, R-Gene, Arginine, DL-, ARGININE, L-, nchembio.92-comp1

Molecular Formula:	C₆H₁₄N₄O₂	Molecular Weight:	174.200960 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	6

InChIKey: ODKSFYDXXFIFQN-BYPYZUCNSA-N

• L-Arginine Alpha Ketoglutarate 2:1

IUPAC Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid; 2-oxopentanedioic acid | CAS Registry Number: 5256-76-8
Synonyms: Eucol, Di-L-arginine 2-oxoglutarate, EINECS 226-059-4, CID3083894

Molecular Formula:	C₁₁H₂₀N₄O₇	Molecular Weight:	320.299100 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	11

InChIKey: PGRNZHOQVAPMFX-UHFFFAOYSA-N

• L-Arginine alpha-Ketoglutarate

IUPAC Name: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-oxopentanedioic acid | CAS Registry Number: 16856-18-1
Synonyms: L-Arginine alpha-ketoglutarate, (S)-2-Amino-5-guanidinopentanoic acid 2-oxopentanedioic acid (1:1), L-Arginine 2-oxoglutarate, UNII-TVJ23A89RU, CTK8B7532, EINECS 240-882-6, ANW-57597, SBB066145, AKOS015895375, AK-63297, KB-211161, M-1203, A810987, I04-046, (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid; 2-oxopentanedioic acid, (2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; 2-oxidanylidenepentanedioic acid

Molecular Formula:	C₁₁H₂₀N₄O₇	Molecular Weight:	320.299100 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	9

InChIKey: PGRNZHOQVAPMFX-WCCKRBBISA-N