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• Albiflorin

Synonyms: 9-((Benzoyloxy)methyl)-1-(beta-D-glucopyranosyloxy)-4-hydroxy-6-methyl-7-oxatricyclononan-8-one

Molecular Formula:	C₂₃H₂₈O₁₁	Molecular Weight:	480.461820 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	11

InChIKey: QQUHMASGPODSIW-RPLHGOISSA-N

• Allantoin

IUPAC Name: (2,5-dioxoimidazolidin-4-yl)urea | CAS Registry Number: 97-59-6
Synonyms: allantoin, Glyoxyldiureide, Cordianine, 5-Ureidohydantoin, Glyoxyldiureid, Allantol, Alantan, Sebical, Cutemol emollient, Uniderm A, AVC/Dienestrolcream, Ureidohydantoin, Hemocane, Psoralon, Septalan, Paxyl, Hydantoin, 5-ureido-, DL-Allantoin, Caswell No. 024, Glyoxylic diureide

Molecular Formula:	C₄H₆N₄O₃	Molecular Weight:	158.115440 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	3

InChIKey: POJWUDADGALRAB-UHFFFAOYSA-N

• Antheraxanthin

IUPAC Name: (1S,4S,6R)-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-4-ol | CAS Registry Number: 640-03-9
Synonyms: Spectrum5_000366, BSPBio_003502, LMPR01070262, CID5281223, NCGC00178026-01, C08579, beta,beta-Carotene-3,3'-diol, 5,6-epoxy-5,6-dihydro- (VAN)

Molecular Formula:	C₄₀H₅₆O₃	Molecular Weight:	584.870840 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: OFNSUWBAQRCHAV-OYQUVCAXSA-N

• Avermectin B1

Synonyms: Abamectinum, Abamectin, Vertimec, Agrimek, Affirm, Avomec, Zephyr, Avid, avermectin B1, Agri-Mek, Abamectin [ANSI], Abamectin [USAN], Avermectin B(sub 1), AVID EC, Abamectin [ANSI:ISO], HSDB 6941, MK 936, ABAMECTIN (4:1 MIXTURE), EPA Pesticide Chemical Code 122804, MK 0936

Molecular Formula:	C₉₅H₁₄₂O₂₈	Molecular Weight:	1732.127180 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	28

InChIKey: IBSREHMXUMOFBB-MVGRHBATSA-N

• Baccatine III

Synonyms: Baccatin III, Baccatin- III, B8154_SIGMA, CHEBI:32898, NSC 330753, ZINC04102268, LS-183707, C11900, 7,11-Methano-5H-cyclodeca(3,4)benz(1,2-b)oxet-5-one, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,9,11-trihydroxy-4a,8,13,13-tetramethyl-, (2aR-(2aalpha,4beta,4abeta,6beta,9alpha,11alpha,12alpha,12aalpha,12balpha))-, [2aR-(2aalpha,4beta,4abeta,6beta,9alpha,11alpha,12alpha,12aalpha,12balpha)]-6,12b-bis(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,9,11-trihydroxy-4a,8,13,13-tetramethyl-7,11-methano-5H-cyclodeca(3,4)benz(1,2-b)oxet-5-one, 5beta,20-epoxy-1,7beta,13alpha-trihydroxy-9-oxotax-11-ene-2alpha,4alpha,10beta-triyl 4,10-diacetate 2-benzoate

Molecular Formula:	C₃₁H₃₈O₁₁	Molecular Weight:	586.626820 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	11

InChIKey: OVMSOCFBDVBLFW-VHLOTGQHSA-N

• Camptothecin

Synonyms: camptothecin, Camptothecine, d-Camptothecin, (S)-Camptothecin, (+)-Camptothecin, (+)-Camptothecine, 20(S)-Camptothecine, 20(S)-Camptothecin, Camptothecine (8CI), Prestwick_102, (S)-(+)-Camptothecin, Camptothecine (S,+), Spectrum_000299, Tocris-1100, (S)-()-Camptothecin, SpecPlus_000712, Prestwick0_000200, Prestwick1_000200, Prestwick2_000200, Prestwick3_000200

Molecular Formula:	C₂₀H₁₆N₂O₄	Molecular Weight:	348.352040 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: VSJKWCGYPAHWDS-FQEVSTJZSA-N

• Carnosic Acid

IUPAC Name: (4aR,10aS)-5,6-dihydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid | CAS Registry Number: 3650-09-7
Synonyms: Carnosic acid, Salvin, RoseOx, UPCMLD-DP056, UPCMLD-DP056:001, NSC694080, C20H28O4, CID65126, SMP2_000204, NCGC00161623-01, NCI60_033653, LS-174601, 4a(2H)-Phenanthrenecarboxylic acid, 1,3,4,9,10,10a-hexahydro-5,6-dihydroxy-1,1-dimethyl-7-(1-methylethyl)-, (4aR-trans)-, Podocarpa-8,11,13-trien-17-oic acid, 11,12-dihydroxy-13-isopropyl-

Molecular Formula:	C₂₀H₂₈O₄	Molecular Weight:	332.433920 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: QRYRORQUOLYVBU-VBKZILBWSA-N

• Carnosol

Synonyms: carnosol, CHEBI:468005, CID442009, C09069

Molecular Formula:	C₂₀H₂₆O₄	Molecular Weight:	330.418040 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: XUSYGBPHQBWGAD-PJSUUKDQSA-N

• Caulophylline

Synonyms: N-Methylcytisine, CID442947, C10760

Molecular Formula:	C₁₂H₁₆N₂O	Molecular Weight:	204.268240 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: CULUKMPMGVXCEI-UWVGGRQHSA-N

• Cephalomannine

Synonyms: Taxol B, MLS001097651, C4991_SIGMA, CID5281819, NCGC00165771-01, SMR000578097, C10579

Molecular Formula:	C₄₅H₅₃NO₁₄	Molecular Weight:	831.900620 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	14

InChIKey: DBXFAPJCZABTDR-UJLUYDJNSA-N

• Cephalotaxine

Synonyms: Alkaloid A from Cephalotaxus, Cephalotaxine (8CI)(9CI), CHEBI:3540, CID65305, NSC245454, NSC 128487, NSC 245454, NSC 245455, SMP1_000194, NCGC00160146-01, C10580

Molecular Formula:	C₁₈H₂₁NO₄	Molecular Weight:	315.363640 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: YMNCVRSYJBNGLD-KURKYZTESA-N

• Chelerythrine Chloride

IUPAC Name: 1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium | CAS Registry Number: 34316-15-9
Synonyms: chelerythrine, Toddalin, Toddaline, Chelerythrine chloride, Helleritrine hydroxide, Chelerythrine hydroxide, nchembio873-comp36, Chelerythrinium hydroxide, Chelerythrine aurichloride, Lopac-C-2932, Benzophenanthridine alkaloid, Lopac0_000241, BSPBio_001558, 478-03-5 (hydroxide), MEGxp0_001953, 3895-92-9 (chloride), C21H18NO4, EINECS 251-930-0, CID2703, CHEBI:111199

Molecular Formula:	C₂₁H₁₈NO₄+	Molecular Weight:	348.371920 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: LLEJIEBFSOEYIV-UHFFFAOYSA-N

• Cis-3-Hexenyl Acetate

IUPAC Name: [(E)-hex-3-enyl] acetate | CAS Registry Number: 1708-82-3
Synonyms: 3-Hexenylacetate, Hex-3-enyl acetate, (3E)-3-Hexenyl acetate, trans-3-Hexenyl acetate, 3-Hexen-1-ol, acetate, (E)-Hex-3-enyl acetate, 3-Hexen-1-ol, acetate, (E)-, 3-Hexen-1-ol, 1-acetate, 3-Hexen-1-ol, acetate, (3E)-, EINECS 216-965-8, EINECS 222-962-2, LMFA05000227, 3-Hexen-1-ol, 1-acetate, (3E)-, CID5352557, AI3-33358, 3681-82-1

Molecular Formula:	C₈H₁₄O₂	Molecular Weight:	142.195560 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: NPFVOOAXDOBMCE-SNAWJCMRSA-N

• Cis-3-Hexenyl Isobutyrate

IUPAC Name: [(Z)-hex-3-enyl] 2-methylpropanoate | CAS Registry Number: 41519-23-7
Synonyms: 3-Hexenyl isobutyrate, 3-Hexenyl isobutanoate, cis-3-Hexenyl isobutyrate, Hex-3-enyl isobutyrate, 3-Hexenyl 2-methypropanoate, (Z)-Hex-3-enyl isobutyrate, beta,gamma-Hexenyl isobutanoate, cis-3-Hexenyl iso-butyrate, (Z)-3-Hexenyl isobutyrate, W392901_ALDRICH, EINECS 255-424-0, EINECS 260-993-3, ENT 33348, BRN 1759547, AI3-33348, CID5352539, (Z)-2-Methylpropanoic acid 3-hexenyl ester, Propanoic acid, 2-methyl-, 3-hexenyl ester, Propanoic aicd, 2-methyl-, 3-hexenyl ester, LS-121529

Molecular Formula:	C₁₀H₁₈O₂	Molecular Weight:	170.248720 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: OSMAJVWUIUORGC-WAYWQWQTSA-N

• Cis-3-Hexenyl Phenylacetate

IUPAC Name: [(Z)-hex-3-enyl] 2-phenylacetate | CAS Registry Number: 42436-07-7
Synonyms: cis-3-Hexenyl phenylacetate, 3-Hexenyl alpha-toluate, 3-Hexenyl phenylacetate, Z-3-Hexenyl phenylacetate, 3-Hexenyl phenylacetate, cis-, FEMA No. 3633, (Z)-Hex-3-enyl phenylacetate, 3-Hexenyl benzeneacetate, cis-, 3-Hexenyl phenylacetate, (Z)-, beta,gamma-Hexenyl alpha-toluate, cis-3-Hexenyl phenyl acetate, 3-Hexenyl benzeneacetate, (Z)-, W363308_ALDRICH, EINECS 255-826-6, BRN 3266406, Benzeneacetic acid, 3-hexenyl ester, (Z)-, ZINC12153042, Benzeneacetic acid, (3Z)-3-hexenyl ester, CID5367698, LS-2806

Molecular Formula:	C₁₄H₁₈O₂	Molecular Weight:	218.291520 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: FJKFIIYSBXHBCT-ARJAWSKDSA-N

• Cyanidin chloride

IUPAC Name: 2-(3,4-dihydroxyphenyl)chromenylium-3,5,7-triol chloride | CAS Registry Number: 528-58-5
Synonyms: Gastrotelos, Cyanidin, Cyanidol, Cyanidol chloride, Cyanidin hydrochloride, Ambap401, Idb 1027, IdB-1027, ARK090, 79457_FLUKA, EINECS 208-438-6, NSC407291, AIDS004457, NSC 407291, AIDS-004457, CID68247, 3,3',4',5,7-Pentahydroxyflavylium chloride, 3,3'4',5,7-Pentahydroxyflavylium chloride, LS-69064, 3,3',4,5,7-Pentahydroxyflavylium chloride

Molecular Formula:	C₁₅H₁₁ClO₆	Molecular Weight:	322.697240 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	6

InChIKey: COAWNPJQKJEHPG-UHFFFAOYSA-N

• Cyanoacetic Acid

IUPAC Name: 2-cyanoacetic acid | CAS Registry Number: 372-09-8
Synonyms: CYANOACETIC ACID, Acetic acid, cyano-, Malonic mononitrile, Monocyanoacetic acid, Acide cyanacetique, Malonic acid mononitrile, Cyanessigsaeure [German], CYANOCETIC ACID, USAF KF-17, Acide cyanacetique [French], Kyselina kyanoctova [Czech], WLN: QV1CN, HSDB 272, C88505_ALDRICH, 239976_ALDRICH, NSC 5571, EINECS 206-743-9, NSC5571, BRN 0506325, AI3-15026

Molecular Formula:	C₃H₃NO₂	Molecular Weight:	85.061420 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: MLIREBYILWEBDM-UHFFFAOYSA-N

• Cytisine (CAS: 98485-35-8)

• Diazolidinyl Urea (CAS: 78491-02-08)

• Docetaxel

Synonyms: docetaxel, Taxotere, Docetaxol, Docetaxel anhydrous, nchembio853-comp8, Docetaxel, Trihydrate, nchembio.2007.34-comp7, 01885_FLUKA, XRP-6976L, ANX-514, SDP-014, DB01248, NSC-628503, RP-56976, SL-00678, C11231, TXL, (2alpha,5beta,7beta,10beta,13alpha)-4-(acetyloxy)-13-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl (aR,bS)-b-[[(1,1-dimethylethoxy)carbonyl]amino]-a-hydroxybenzenepropanoate

Molecular Formula:	C₄₃H₅₃NO₁₄	Molecular Weight:	807.879220 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	14

InChIKey: ZDZOTLJHXYCWBA-VCVYQWHSSA-N

• Ethyl 3-dimethylaminoacrylate, beta- (beta-DAASE)

IUPAC Name: ethyl (Z)-3-(dimethylamino)prop-2-enoate | CAS Registry Number: 924-99-2
Synonyms: NSC73423

Molecular Formula:	C₇H₁₃NO₂	Molecular Weight:	143.183620 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: MVUMJYQUKKUOHO-WAYWQWQTSA-N

• Fattyacids, C16-18, sulfo, 1-Me esters, sodium salts (CAS: 93348-22-2)

• Gambogic acid

Synonyms: gambogic acid, Guttic acid, .beta.-Guttiferin, .beta.-Guttilactone, AIDS151817, AIDS-151817, NSC693702, 2-Butenoic acid, 2-methyl-4-[3a,4,5,7-tetrahydro-8-hydroxy-3,3,11-trimethyl-13-(3-methyl-2-butenyl)-11-(4-methyl-3-pentenyl)-7,15-dioxo-1,5-methano-1H,3H,11H-furo[3,4-g]pyrano[3,2-b]xanthen-1-yl]-, (2Z)-

Molecular Formula:	C₃₈H₄₄O₈	Molecular Weight:	628.751160 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	8

InChIKey: GEZHEQNLKAOMCA-GGBYEPGGSA-N

• Harringtonine

Synonyms: harringtonine, Harringtonin, ZJ-H, Alkaloid C from cephalotaxus, NSC124147, NCI60_000568, C10597, Cephalotaxine, 4-methyl 2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate (ester), Cephalotaxine, 4-methyl 2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate (ester), [3(R)]-, Cephalotaxine, 4-methyl-2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate (ester), [3(R)]-, HT

Molecular Formula:	C₂₈H₃₇NO₉	Molecular Weight:	531.594680 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	10

InChIKey: HAVJATCHLFRDHY-KSZYUSJVSA-N

• Honokiol

IUPAC Name: 2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol | CAS Registry Number: 35354-74-6
Synonyms: nchembio.140-comp3, MLS000759481, MLS001048916, MLS001423980, H4914_SIGMA, 3,5'-Diallyl-4,2'-dihydroxybiphenyl, AIDS002243, BB_NC-1461, 3',5-Diallylbiphenyl-2,4'-diol, NSC 293100, AIDS-002243, C18H18O2, CID72303, NSC293100, ZINC00001536, 5,3'-Diallyl-2,4'-dihydroxybiphenyl, SMP2_000040, NCGC00163567-01, NCGC00163567-02, CPD000387107

Molecular Formula:	C₁₈H₁₈O₂	Molecular Weight:	266.334320 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: FVYXIJYOAGAUQK-UHFFFAOYSA-N

• Isoamyl Nitrite

IUPAC Name: 3-methylbutyl nitrite | CAS Registry Number: 110-46-3
Synonyms: Amyl nitrite, Nitramyl, Isopentyl nitrite, Amilnitrite, Vaporole, Aspiral, ISOAMYL NITRITE, 3-Methylbutyl nitrite, Pentanoli nitris, Amilnitrit, Amyl nitrite I, 3-Methylbutanol nitrite, Pentyl nitrite, Amyl nitrosum, Amyl nitrate, Amyl nitrit, Nitramyl (VAN), Amyl nitrite (VAN), Vaporole (TN), Nitrous acid, 3-methylbutyl ester

Molecular Formula:	C₅H₁₁NO₂	Molecular Weight:	117.146340 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: OWFXIOWLTKNBAP-UHFFFAOYSA-N

• Itaconic Acid

IUPAC Name: 2-methylidenebutanedioic acid | CAS Registry Number: 97-65-4
Synonyms: Itaconic acid, itaconate, Succinic acid, methylene-, Methylenebutanedioic acid, 2-Methylenesuccinic acid, METHYLENESUCCINIC ACID, Poly(itaconic acid), Butanedioic acid, methylene-, Propylenedicarboxylic acid, Itaconic acid polymer, Itaconic acid polymers, 2-Propene-1,2-dicarboxylic acid, Probes1_000076, Probes2_000247, Methylenesuccinic acid polymers, NCIStruc1_001783, NCIStruc2_000502, Poly(2-methylenesuccinic acid), NCIOpen2_004822, 2-methylidenebutanedioic acid

Molecular Formula:	C₅H₆O₄	Molecular Weight:	130.098740 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: LVHBHZANLOWSRM-UHFFFAOYSA-N

• Magnolol

IUPAC Name: 2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol | CAS Registry Number: 528-43-8
Synonyms: Dehydrodichavicol, 2,2'-Bichavicol, UPCMLD-DP037, MLS001048917, M3445_SIGMA, UPCMLD-DP037:001, AIDS002239, BB_NC-1463, 5,5'-Diallyl-2,2'-biphenyldiol, NSC 293099, 5,5'-Diallyl-2,2'-dihydroxybiphenyl, AIDS-002239, C18H18O2, CID72300, NSC293099, ZINC00001645, SMP2_000086, NCGC00161609-01, NCGC00161609-02, LS-44356

Molecular Formula:	C₁₈H₁₈O₂	Molecular Weight:	266.334320 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: VVOAZFWZEDHOOU-UHFFFAOYSA-N

• Malonyl Chloride

IUPAC Name: propanedioyl dichloride | CAS Registry Number: 1663-67-8
Synonyms: Malonyl chloride, Malonyl dichloride, Malonoyl dichloride, Malonoyl chloride, Malonic acid chloride, Propanedioyl dichloride, Malonic acid dichloride, M1601_ALDRICH, NSC66410, EINECS 216-772-9, NSC 66410, TL8001278

Molecular Formula:	C₃H₂Cl₂O₂	Molecular Weight:	140.952780 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: SXYFKXOFMCIXQW-UHFFFAOYSA-N

• Maslinic Acid

IUPAC Name: (4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid | CAS Registry Number: 4373-41-5
Synonyms: Maslinic acid, Crategolic acid, Crataegolic acid, CHEBI:438843, AIDS087536, AIDS-087536, CID73659, EMD-1176098, Olean-12-en-28-oic acid, 2,3-dihydroxy-, (2alpha,3beta)-, Olean-12-en-28-oic acid, 2,3-dihydroxy-, (2.alpha.,3.beta.)-, (4aS,6aS,6bR,8aR,10R,11R,12aR,12bR,14bS)-10,11-Dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picene-4a-carboxylic acid

Molecular Formula:	C₃₀H₄₈O₄	Molecular Weight:	472.699720 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: MDZKJHQSJHYOHJ-LLICELPBSA-N

• Menthol

IUPAC Name: 5-methyl-2-propan-2-ylcyclohexan-1-ol | CAS Registry Number: 1490-04-6
Synonyms: dl-Menthol, MENTHOL, Hexahydrothymol, Dermoplast, Racementhol, Sarna, Menthyl alcohol, d-Neomenthol, Menthacamphor, Menthomenthol, Neoisomenthol, d,l-Menthol, Menthol natural, Menthol racemic, Racemic menthol, rac-Menthol, Menthol solution, Menthol, dl-, Mixture Name, d-Menthol

Molecular Formula:	C₁₀H₂₀O	Molecular Weight:	156.265200 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: NOOLISFMXDJSKH-UHFFFAOYSA-N

• N-Benzoyl-(2R,3S)-3-phenylisoserine

IUPAC Name: (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoic acid | CAS Registry Number: 132201-33-3
Synonyms: (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoic acid, (2R,3S)-N-Benzoyl-3-phenylisoserine, AmbotzBAA5380, SureCN6277, AC1MC6MK, UNII-D998Q2WJCM, 444375_ALDRICH, CHEMBL134943, Jsp001945, CTK4B7796, MolPort-003-794-899, ANW-54220, AKOS015917754, AG-D-65430, AG-F-10712, BCP9000974, (2R,3S)-N-Benzoyl-3-phenyl Isoserine, AK-57809, N-Benzoyl-3-phenylisoserine, (2R,3S)-, Q744

Molecular Formula:	C₁₆H₁₅NO₄	Molecular Weight:	285.294600 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: HYJVYOWKYPNSTK-UONOGXRCSA-N

• NEO-GAMBOGIC ACID

Synonyms: Neo-gambogic acid, CID6438568, 2-Butenoic acid, 4-(3a,4,5,7,10,11-hexahydro-8,9-dihydroxy-3,3,11-trimethyl-13-(3-methyl-2-butenyl)-11-(4-methyl-3-pentenyl)-7,15-dioxo-1,5-methano-1H,3H,9H-furo(3,4-g)pyrano(3,2-b)xanthen-1-yl)-2-methyl-

Molecular Formula:	C₃₈H₄₆O₉	Molecular Weight:	646.766440 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	9

InChIKey: BLDWFKHVHHINGR-FYJGNVAPSA-N

• NK-611

IUPAC Name: (5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7-(dimethylamino)-8-hydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one | CAS Registry Number: 105655-99-0
Synonyms: AC1OCEVY, ZINC3914835, (5R)-9alpha-[[4-O,6-O-[(R)-Ethylidene]-2-(dimethylamino)-2-deoxy-beta-D-glucopyranosyl]oxy]-5,8,8abeta,9-tetrahydro-5beta-(4-hydroxy-3,5-dimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aalphaH)-one, (5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7-(dimethylamino)-8-hydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one

Molecular Formula:	C₃₁H₃₇NO₁₂	Molecular Weight:	615.632 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	13

InChIKey: ZKSNZYLCOXUJIR-VOKUKXJJSA-N

• Paclitaxel

Synonyms: paclitaxel, Yewtaxan, TAXOL, Plaxicel, Paxceed, Taxol A, Abraxane, Ebetaxel, Capxol, Paxene, Onxol, TaxAlbin, LipoPac, Genetaxyl, Nanotaxel, Paclical, Pacligel, Anzatax, Genaxol, Genexol

Molecular Formula:	C₄₇H₅₁NO₁₄	Molecular Weight:	853.906140 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	14

InChIKey: RCINICONZNJXQF-MZXODVADSA-N

• Paeoniflorin

Synonyms: Paeonia moutan, Paeony root, Ambap3981, AIDS002238, AIDS-002238, NSC178886, C09959, .beta.-D-Glucopyranoside, (1aR,2S,3aR,5R,5aR,5bS)-5b-[(benzoyloxy)methyl]tetrahydro-5-hydroxy-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yl

Molecular Formula:	C₂₃H₂₈O₁₁	Molecular Weight:	480.461820 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	11

InChIKey: YKRGDOXKVOZESV-WRJNSLSBSA-N

• Pantothenyl Alcohol

IUPAC Name: (2R)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide | CAS Registry Number: 81-13-0
Synonyms: Dexpanthenol, panthenol, Pantothenol, Bepanthen, Bepanthene, Panthoderm, Thenalton, Bepantol, D-Panthenol, Zentinic, Motilyn, Panadon, Cozyme, Ilopan, Pantol, d-Pantothenol, Provitamin B, Synapan, Pantothenyl alcohol, D-P-A Injection

Molecular Formula:	C₉H₁₉NO₄	Molecular Weight:	205.251460 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	4

InChIKey: SNPLKNRPJHDVJA-ZETCQYMHSA-N

• Rhodiola Rosea Powdered Extract

IUPAC Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4,5-triol | CAS Registry Number: 10338-51-9
Synonyms: Salidroside, Rhodioloside, Rhodosin, Tyrosol glucoside, Ambap2363, Glucopyranoside, p-hydroxyphenethyl, MEGxp0_000478, ACon1_000366, CID159278, NCGC00169145-01, LS-71547, 2-(4-Hydroxyphenyl)ethyl beta-D-glucopyranoside, beta-D-Glucopyranoside, 2-(4-hydroxyphenyl)ethyl, C06046, p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside

Molecular Formula:	C₁₄H₂₀O₇	Molecular Weight:	300.304400 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	7

InChIKey: ILRCGYURZSFMEG-RKQHYHRCSA-N

• Rosavin

IUPAC Name: (2S,3R,4S,5S,6R)-2-[(E)-3-phenylprop-2-enoxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol | CAS Registry Number: 84954-92-7
Synonyms: beta-D-Glucopyranoside, (2E)-3-phenyl-2-propenyl 6-O-alpha-L-arabinopyranosyl-

Molecular Formula:	C₂₀H₂₈O₁₀	Molecular Weight:	428.430320 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	10

InChIKey: RINHYCZCUGCZAJ-UHAHJPEESA-N

• Rosmarinic acid

IUPAC Name: (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid | CAS Registry Number: 20283-92-5
Synonyms: rosmarinic acid, Rosmarinate, Rosmarimic acid, Rosemary acid, (R)-rosmarinic acid, Ambap7578, MLS000697677, 536954_ALDRICH, MEGxp0_000163, ACon1_001068, CHEBI:50371, AIDS026336, AIDS-026336, C18H16O8, 537-15-5 (ROSMARINATE), CID5281792, NCGC00169708-01, SMR000445579, 20283-92-5 (FREE ACID), LS-175479

Molecular Formula:	C₁₈H₁₆O₈	Molecular Weight:	360.314840 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	8

InChIKey: DOUMFZQKYFQNTF-WUTVXBCWSA-N

• Rosmarinic Acid

IUPAC Name: (2S)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid | CAS Registry Number: 537-15-5
Synonyms: Rosmarinate, rosmarinic acid, CHEBI:50372, CID639655, C01850, 3-(3,4-Dihydroxy-phenyl)-acrylic acid 1-carboxy-2-(3,4-dihydroxy-phenyl)-ethyl ester, 3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoic acid, (2S)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoic acid, benzenepropanoic acid, alpha-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-3,4-dihydroxy-, InChI=1/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3

Molecular Formula:	C₁₈H₁₆O₈	Molecular Weight:	360.314840 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	8

InChIKey: DOUMFZQKYFQNTF-GIZXNFQBSA-N

• Salvicine

IUPAC Name: 8-(3,4-dihydroxy-4-methylpentyl)-7-methyl-3-propan-2-ylnaphthalene-1,2-dione | CAS Registry Number: 240423-23-8
Synonyms: CHEMBL90715, DCL000332, QC-1122, 8-(3,4-dihydroxy-4-methylpentyl)-3-isopropyl-7-methylnaphthalene-1,2-dione

Molecular Formula:	C₂₀H₂₆O₄	Molecular Weight:	330.418040 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: NZIUPDOWWMGNCV-UHFFFAOYSA-N

• Sanguinarine

Synonyms: SANGUINARINE, Sanguinarin, sangvinarin, Sanguiritrin, Veadent, Viadent, Pseudochelerythrine, nchembio.105-comp3, nchembio.123-comp3, Spectrum_000259, Prestwick0_000987, Prestwick1_000987, Prestwick2_000987, Prestwick3_000987, Spectrum2_000724, Spectrum3_001148, Spectrum4_001838, Spectrum5_000635, Lopac-S-5890, Benzophenanthridine alkaloid

Molecular Formula:	C₂₀H₁₄NO₄+	Molecular Weight:	332.329460 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: INVGWHRKADIJHF-UHFFFAOYSA-N

• Saprorthoquinone

IUPAC Name: 7-methyl-8-(4-methylpent-3-enyl)-3-propan-2-ylnaphthalene-1,2-dione | CAS Registry Number: 102607-41-0
Synonyms: Saprothoquinone, NSC648341, 3-Isopropyl-7-methyl-8-(4-methyl-3-pentenyl)-1,2-naphthalenedione, AC1Q6HYE, AC1L85D8, CHEMBL328673, CTK5J8891, MolPort-039-338-884, ZINC1630835, NSC-648341, NCI60_016773, 3-isopropyl-7-methyl-8-(4-methylpent-3-enyl)naphthalene-1,2-dione, 7-methyl-8-(4-methylpent-3-enyl)-3-propan-2-ylnaphthalene-1,2-dione, 1,2-naphthalenedione, 7-methyl-3-(1-methylethyl)-8-(4-methyl-3-penten-1-yl)-, 3-Isopropyl-7-methyl-8-(4-methyl-3-pentenyl)-1,2-dihydronaphthalene-1,2-dione

Molecular Formula:	C₂₀H₂₄O₂	Molecular Weight:	296.410 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: FWJDKZSXXFWHPR-UHFFFAOYSA-N

• Sodium of polyaspartic acid (CAS: 181828-06-8)

• Sodium Percarbonate

IUPAC Name: tetrasodium hydrogen peroxide dicarbonate | CAS Registry Number: 15630-89-4
Synonyms: Oxyper, Perdox, Sodium percarbonate, FB Sodium percarbonate, Peroxy sodium carbonate, Sodium carbonate peroxide, 371432_ALDRICH, EINECS 239-707-6, Disodium carbonate, hydrogen peroxide (2:3), Hydrogen peroxide sodium carbonate adduct, LS-51985, disodium carbonate hydrogen peroxide (2:3), Disodium carbonate, compound with hydrogen peroxide (2:3), Carbonic acid disodium salt, compd. with hydrogen peroxide (H2O2) (2:3), Carbonic acid, disodium salt, compd. with hydrogen peroxide (2:3), 121525-84-6, 205368-25-8, 81677-18-1, 82728-90-3, 89140-31-8

Molecular Formula:	C₂H₆Na₄O₁₂	Molecular Weight:	314.020920 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	12

InChIKey: MSLRPWGRFCKNIZ-UHFFFAOYSA-J

• Stevia

Molecular Formula:	C₄₄H₇₀O₂₃	Molecular Weight:	967.012800 [g/mol]
H-Bond Donor:	14	H-Bond Acceptor:	23

InChIKey: HELXLJCILKEWJH-SQFYRQPJSA-N

• Triflic Anhydride

IUPAC Name: trifluoromethylsulfonyl trifluoromethanesulfonate | CAS Registry Number: 358-23-6
Synonyms: Triflic anhydride, Trifluoromethanesulfonic anhydride, 176176_ALDRICH, 91737_FLUKA, CHEBI:48509, Trifluoromethanesulphonic anhydride, EINECS 206-616-8, Methanesulfonic acid, trifluoro-, anhydride, LS-192058, 1,1,1-trifluoromethanesulfonic acid 1,1'-anhydride, 93916-16-6

Molecular Formula:	C₂F₆O₅S₂	Molecular Weight:	282.138819 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	11

InChIKey: WJKHJLXJJJATHN-UHFFFAOYSA-N

• Triptolide

Synonyms: triptolide, Triptolid, Triptolide (9CI), BSPBio_001595, KBioGR_000315, KBioSS_000315, MLS000759410, MLS001424107, PG490, KBio2_000315, KBio2_002883, KBio2_005451, KBio3_000629, KBio3_000630, Bio2_000315, Bio2_000795, NSC 163062, C20H24O6, CID107985, NSC163062

Molecular Formula:	C₂₀H₂₄O₆	Molecular Weight:	360.400960 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: DFBIRQPKNDILPW-CIVMWXNOSA-N

• Tris(dibenzylideneacetone)dipalladium

IUPAC Name: (1Z,4E)-1,5-di(phenyl)penta-1,4-dien-3-one | CAS Registry Number: 52409-22-0
Synonyms: Dibenzalacetone, Distyryl ketone, Styrol ketone, Dibenzylideneacetone, Bis(2-phenylvinyl) ketone, 1,5-Diphenyl-3-pentadienone, EINECS 208-697-5, ZINC04795007, 1,5-Diphenylpenta-1,4-dien-3-one, NSC 117234, 1,4-Pentadien-3-one, 1,5-diphenyl-, AI3-00896, 538-58-9

Molecular Formula:	C₁₇H₁₄O	Molecular Weight:	234.292460 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: WMKGGPCROCCUDY-HEEUSZRZSA-N