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• Phenol, 4-[2-(dimethylamino)ethyl]-

IUPAC Name: 4-(2-dimethylaminoethyl)phenol | CAS Registry Number: 539-15-1
Synonyms: Hordenine, 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, 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

• Rapamycin

Synonyms: rapamycin, Sirolimus, Rapamune, 1fkb, 1pbk, LCP-Siro, (-)-Rapamycin, nchembio.79-comp1, nchembio762-comp1, nchembio883-comp3, nchembio.100-comp4, Sirolimus (RAPAMUNE), (-)-Rapamycin;Rapamune, Antibiotic AY 22989, BiomolKI2_000084, nchembio.2007.42-comp2, Sirolimus [USAN:BAN:INN], CCRIS 9024, R0395_SIAL, SILA 9268A

Molecular Formula:	C₅₁H₇₉NO₁₃	Molecular Weight:	914.171860 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	13

InChIKey: QFJCIRLUMZQUOT-HPLJOQBZSA-N

• Risedronate Sodium

IUPAC Name: sodium hydroxy-(1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphinate | CAS Registry Number: 115436-72-1
Synonyms: Actonel, Risedronate sodium, Optinate, Acrel, Benet, Sodium risedronate, Optinate Septimum, Actonel (TN), Risedronate sodium [USAN], Risedronate sodium (USAN), C7H10NO7P2.Na, Risedronic acid monosodium salt, risedronic acid, monosodium salt, BB_SC-1157, CID68739, NE 58095, NE-58095, CID4194514, CPD000469279, SAM001246537

Molecular Formula:	C₇H₁₀NNaO₇P₂	Molecular Weight:	305.094092 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	8

InChIKey: DRFDPXKCEWYIAW-UHFFFAOYSA-M

• Sesamin

IUPAC Name: 5-[(1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-1-yl]-1,3-benzodioxole | CAS Registry Number: 607-80-7
Synonyms: sesamin, Asarinin, Fagarol, Sezamin, Episesamin, d-Sesamin, (+)-Sesamin, D-(+)-Sesamin, (+)-Segamin, Ambap957, PSEUDO CUBEBIN, MLS000728578, S9314_SIGMA, ACon0_000323, ACon1_002421, NSC 36403, AIDS002473, AIDS-002473, C20H18O6, CID72307

Molecular Formula:	C₂₀H₁₈O₆	Molecular Weight:	354.353320 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: PEYUIKBAABKQKQ-AFHBHXEDSA-N

• Spironolactone

IUPAC Name: S-[(7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-yl] ethanethioate | CAS Registry Number: 52-01-7
Synonyms: spironolactone, Aldactone, Verospiron, Spiroctan, Spironocompren, Spirolactone, Verospirone, Euteberol, Spirolang, Melarcon, Spiresis, Spiridon, Uractone, Urusonin, Alderon, Spirone, Xenalon, Acelat, Dira, Spiro-Tablinen

Molecular Formula:	C₂₄H₃₂O₄S	Molecular Weight:	416.573480 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: LXMSZDCAJNLERA-ZHYRCANASA-N

• Stavudine

IUPAC Name: 1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione | CAS Registry Number: 3056-17-5
Synonyms: stavudine, sanilvudine, Zerit, ddeThd, ddeTyd, Zent, Zerut XR, D 4T (nucleoside), Stavudinum [INN-Latin], Sanilvudine (JAN), Dideoxydidehydrothymidine, Estavudina [INN-Spanish], Zerit (TN), 2',3'-Didehydro-3'-deoxythymidine, Stavudine (USAN/INN), 2',3'-Anhydrothymidine, Stavudine [USAN:BAN:INN], 3'-Deoxy-2'-thymidinene, 2'-Thymidinene, 3'-deoxy-, D 4T

Molecular Formula:	C₁₀H₁₂N₂O₄	Molecular Weight:	224.213280 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: XNKLLVCARDGLGL-JGVFFNPUSA-N

• Synephrine hydrochloride

IUPAC Name: [2-hydroxy-2-(4-hydroxyphenyl)ethyl]-methylazanium chloride | CAS Registry Number: 5985-28-4
Synonyms: EINECS 227-804-6, p-Methylaminoethanol phenol hydrochloride, LS-43035, p-Methylaminoaethanolphenol hydrochlorid [German], l-1-p-Hydroxyphenyl-2-methylamino-1-ethanol hydrochloride, p-Hydroxy-alpha-(methylaminomethyl)benzyl alcohol hydrochloride, 4-Hydroxy-alpha-((methylamino)methyl)benzyl alcohol hydrochloride, Benzenemethanol, 4-hydroxy-alpha-((methylamino)methyl)-, hydrochloride, BENZYL ALCOHOL, p-HYDROXY-alpha-((METHYLAMINO)METHYL)-, HYDROCHLORIDE

Molecular Formula:	C₉H₁₄ClNO₂	Molecular Weight:	203.665960 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: COTCEGYSNTWJQV-UHFFFAOYSA-N

• 3-Guanidinopropanoate

IUPAC Name: 3-(diaminomethylideneamino)propanoic acid | CAS Registry Number: 353-09-3
Synonyms: Guanidinopropionic acid, 3-Guanidinopropionic acid, Beta-Guanadinopropionate, 3-guanidinopropanoic acid, beta-Guanidinopropionic acid, G6878_SIGMA, .beta.-Guanidinopropionic acid, 3-carbamimidamidopropanoic acid, N-(Aminoiminomethyl)-beta-alanine, dl-beta-Guanidino propionic acid, CHEBI:15968, EINECS 206-530-0, dl-.beta.-Guanidino propionic acid, N-[Amino(imino)methyl]-beta-alanine, PDSP1_000138, PDSP2_000137, LS-15786, C03065

Molecular Formula:	C₄H₉N₃O₂	Molecular Weight:	131.133160 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: KMXXSJLYVJEBHI-UHFFFAOYSA-N

• (25S)-5beta-Spirostan-3beta-ol

Synonyms: Sarsasapogenin, Parigenin, Sarsapogenine, CHEBI:15578, NSC 1615, EINECS 204-776-3, (3beta,5beta,25S)-spirostan-3-ol, LS-193826, 5beta-Spirostan-3beta-ol, (25S)- (8CI), C03963, Spirostan-3-ol, (3beta,5beta,25S)- (9CI)

Molecular Formula:	C₂₇H₄₄O₃	Molecular Weight:	416.636460 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: GMBQZIIUCVWOCD-WWASVFFGSA-N

• (1S,2R)-2-Amino-1,2-diphenylethanol

IUPAC Name: [(1R,2S)-2-hydroxy-1,2-di(phenyl)ethyl]azanium | CAS Registry Number: 23364-44-5
Synonyms: ZINC00120672

Molecular Formula:	C₁₄H₁₆NO+	Molecular Weight:	214.282940 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	1

InChIKey: GEJJWYZZKKKSEV-KGLIPLIRSA-O

• 5-Azacytidine

IUPAC Name: 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one | CAS Registry Number: 320-67-2
Synonyms: 5-azacytidine, Azacitidine, Azacytidine, Ladakamycin, Vidaza, Mylosar, mylo sar, 5-azacitidine, Azacytidine, 5-, 5AzaC, Vidaza (TN), Azacitidinum [INN-Latin], Antibiotic U 18496, Azacitidina [INN-Spanish], 5-aza-CR, Azacitidine [USAN:INN], Spectrum_001262, 5-AZAC, 5-AZCR, CCRIS 60

Molecular Formula:	C₈H₁₂N₄O₅	Molecular Weight:	244.204680 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	7

InChIKey: NMUSYJAQQFHJEW-KVTDHHQDSA-N

• (1S,2S)-1,2-Diphenyl-1,2-ethanediamine

IUPAC Name: [(1S,2S)-2-azaniumyl-1,2-di(phenyl)ethyl]azanium | CAS Registry Number: 29841-69-8
Synonyms: ZINC00155133

Molecular Formula:	C₁₄H₁₈N₂+₂	Molecular Weight:	214.306120 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	0

InChIKey: PONXTPCRRASWKW-KBPBESRZSA-P

• 1,8-Diazabicyclo(5.4.0)undec-7-ene

IUPAC Name: 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine | CAS Registry Number: 6674-22-2
Synonyms: MLS000039793, 139009_ALDRICH, 33482_FLUKA, 1,5-Diazabicyclo[5.4.0]undec-5-ene, EINECS 229-713-7, 1,8-Diazabicyclo[5.4.0]undec-7-ene, NSC111184, NSC 111184, 1,5-Diazabicyclo(5.4.0)undec-5-ene, SMR000036948, ST5308548, Pyrimido[1,2-a]azepine, 2,3,4,6,7,8,9,10-octahydro-, 2,3,4,6,7,8,9,10-Octahydropyrimidol[1,2-a]azepine, 2,3,4,6,7,8,9,10-Octahydropyrimido(1,2-alpha)azepine, Pyrimido(1,2-a)azepine, 2,3,4,6,7,8,9,10-octahydro-, 2,3,4,6,7,8,9,10-Octahydropyrimido[1,2-.alpha.]azepine, DBU, 31171-04-7, 41015-70-7, 51301-56-5

Molecular Formula:	C₉H₁₆N₂	Molecular Weight:	152.236740 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: GQHTUMJGOHRCHB-UHFFFAOYSA-N

• (1R,2R)-1,2-Diphenyl-1,2-ethanediamine

IUPAC Name: [(1R,2R)-2-azaniumyl-1,2-di(phenyl)ethyl]azanium | CAS Registry Number: 35132-20-8
Synonyms: ZINC00155131

Molecular Formula:	C₁₄H₁₈N₂+₂	Molecular Weight:	214.306120 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	0

InChIKey: PONXTPCRRASWKW-ZIAGYGMSSA-P

• 2-Aminoethylsulphonic Acid

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

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

InChIKey: XOAAWQZATWQOTB-UHFFFAOYSA-N

• (S)-2-Aminopentanoic acid

IUPAC Name: (2S)-2-aminopentanoic acid | CAS Registry Number: 6600-40-4
Synonyms: norvaline, L-norvaline, Norvaline, L-, Norvaline (VAN), 2-Aminovaleric acid, L-2-Aminovaleric acid, L-2-aminopentanoic acid, 2-Aminopentanoic acid, L-Norvaline (9CI), 2S-amino-pentanoic acid, Valeric acid, 2-amino-, (S)-2-Aminovaleric acid, Pentanoic acid, 2-amino-, alpha-L-Aminopentanoic acid, (2S)-2-aminopentanoic acid, N7627_SIGMA, 2-AMINO-PENTANOIC ACID, (S)-()-2-Aminopentanoic acid, CHEBI:18314, CID65098

Molecular Formula:	C₅H₁₁NO₂	Molecular Weight:	117.146340 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: SNDPXSYFESPGGJ-BYPYZUCNSA-N

• 2-(4-Hydroxyphenyl) N,N-dimethylethylaminehydrochloride

IUPAC Name: 4-(2-dimethylaminoethyl)phenol hydrochloride | CAS Registry Number: 6027-23-2
Synonyms: Anhaline hydrochloride, Hordenine hydrochloride, Eremursine hydrochloride, Peyocactine hydrochloride, p-Hordenine hydrochloride, N,N-Dimethyltyramine hydrochloride, EINECS 227-892-6, NSC 172175, CID165396, NSC172175, p-(2-Dimethylaminoethyl)phenol hydrochloride, 4-(2-(Dimethylamino)ethyl)phenol hydrochloride, LS-104450, p-Hydroxy-N,N-dimethylphenethylamine hydrochloride, Phenol, p-(2-(dimethylamino)ethyl)-, hydrochloride, Dimethyl-beta-(4-hydroxyphenyl)ethylamine hydrochloride, 539-15-1

Molecular Formula:	C₁₀H₁₆ClNO	Molecular Weight:	201.693140 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: KIZRJFIRFPIRFS-UHFFFAOYSA-N

• (S)-2-Tetrahydrofuroic acid

IUPAC Name: (2S)-oxolane-2-carboxylic acid | CAS Registry Number: 87392-07-2
Synonyms: (S)-(-)-2-Tetrahydrofuroic Acid, (S)-(-)-Tetrahydro-2-furoic acid, (2S)-oxolane-2-carboxylic acid, (S)-(-)-2-Carboxytetrahydrofuroic acid, (S)-tetrahydro-2-furoic acid, (S)-(-)-Tetrahydrofuran-2-carboxylic Acid, AG-H-52599, TFB, 2-Furancarboxylic acid, tetrahydro-, PubChem5795, SureCN239908, AC1L9JY0, AC1Q71BL, UNII-0I2B46K2SJ, (-)-Tetrahydro-2-furoic acid, (2S)-2-oxolanecarboxylic acid, 527890_ALDRICH, CTK3J6635, MolPort-001-792-498, Tetrahydro-2-furoic acid, (-)-

Molecular Formula:	C₅H₈O₃	Molecular Weight:	116.115220 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: UJJLJRQIPMGXEZ-BYPYZUCNSA-N

• (1R,2S)-2-Amino-1,2-diphenylethanol

IUPAC Name: (1R,2S)-2-amino-1,2-diphenylethanol | CAS Registry Number: 23190-16-1
Synonyms: (1R,2S)-(-)-2-Amino-1,2-diphenylethanol, (1R,2S)-2-Amino-1,2-diphenyl-ethanol, PubChem5986, AC1LEXYY, AC1Q59PK, SureCN1131702, KSC201S9N, 331899_ALDRICH, CHEMBL442934, Jsp004682, CTK1A1996, GEJJWYZZKKKSEV-UONOGXRCSA-, MolPort-001-794-198, KST-1A2944, ACN-S001453, ACN-S003457, ACT06724, ACT07644, ANW-25077, AR-1A1156

Molecular Formula:	C₁₄H₁₅NO	Molecular Weight:	213.275000 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: GEJJWYZZKKKSEV-UONOGXRCSA-N