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• (-)-p-Bromotetramisole Oxalate

IUPAC Name: (6S)-6-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole | CAS Registry Number: 62284-79-1
Synonyms: Lopac-190047, Lopac0_000021, ZINC00056495, NCGC00014990-01

Molecular Formula:	C₁₁H₁₁BrN₂S	Molecular Weight:	283.187440 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: HTHGAIADRJRJOY-SNVBAGLBSA-N

• 5-Fluorouracil

IUPAC Name: 5-fluoro-1H-pyrimidine-2,4-dione | CAS Registry Number: 51-21-8
Synonyms: fluorouracil, Fluoroplex, Adrucil, Efudex, Fluoroblastin, Kecimeton, Carzonal, Fluracil, Timazin, Arumel, Efudix, Fluril, Phthoruracil, Fluracilum, Queroplex, Carac, Ulup, Fluro Uracil, Fluorouracilum, Fluroblastin

Molecular Formula:	C₄H₃FN₂O₂	Molecular Weight:	130.077223 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: GHASVSINZRGABV-UHFFFAOYSA-N

• 17-(DIMETHYLAMINOETHYLAMINO)-17-DEMETHOXYGELDANAMYCIN HCL

IUPAC Name: [21-[2-(dimethylamino)ethylamino]-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate;N,N-dimethylmethanamine | CAS Registry Number: 150270-08-9
Synonyms: 17-dimethylaminoethylamino-17-demethoxygeldanamycin

Molecular Formula:	C₃₅H₅₇N₅O₈	Molecular Weight:	675.855780 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	11

InChIKey: JZWHFNOWMZVPTP-UHFFFAOYSA-N

• 680C91

IUPAC Name: 6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indole | CAS Registry Number: 163239-22-3
Synonyms: CHEMBL355606, SCHEMBL3262721, SCHEMBL3262726, MolPort-023-277-173, AKOS024458137, 6-Fluoro-3-[(1E)-2-(3-pyridinyl)ethenyl]-1H-indole

Molecular Formula:	C₁₅H₁₁FN₂	Molecular Weight:	238.259643 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: YBSDQTBCNYWBMX-ONEGZZNKSA-N

• 2-hexyl-4-Pentynoic Acid

IUPAC Name: 2-prop-2-ynyloctanoic acid | CAS Registry Number: 96017-59-3

Molecular Formula:	C₁₁H₁₈O₂	Molecular Weight:	182.259420 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: DUQSBRQHALCSLC-UHFFFAOYSA-N

• 4-OXO-1,4-DIHYDRO-[1,10]PHENANTHROLINE-3-CARBOXYLIC ACID

IUPAC Name: 4-oxo-1H-1,10-phenanthroline-3-carboxylic acid | CAS Registry Number: 331830-20-7
Synonyms: 1,4-DPCA, AC1LA18U, 53946-49-9, 4-Oxo-1,4-dihydro-1,10-phenanthroline-3-carboxylic acid, SCHEMBL703592, SCHEMBL13225925, CTK1F9920, DTXSID90332701, HMS3649E16, ZINC5286251, 1126AH, AKOS022660883, ACM331830207, PL037252, 3-Acetyl-1H-[1,10]phenanthrolin-4-one, 4-Hydroxy-1,10-phenanthroline-3-carboxylic acid, 4-oxo-1H-1,10-phenanthroline-3-carboxylic acid, 4(1H)-Oxo-1,10-phenanthroline-3-carboxylic acid, J-019071, 3B1-005998

Molecular Formula:	C₁₃H₈N₂O₃	Molecular Weight:	240.218 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: XZZHOJONZJQARN-UHFFFAOYSA-N

• 1-Benzoyl-3-phenyl-2-thiourea

IUPAC Name: N-(phenylcarbamothioyl)benzamide | CAS Registry Number: 4921-82-8
Synonyms: Phenyl benzoyl thiourea, WLN: SUYMR&MVR, CBMicro_019876, USAF K-1473, Benzamide, N-phenylthiocarbamoyl-, N-Benzoyl-N'-phenylthiourea, NSC 5817, NSC5817, UREA, 1-BENZOYL-3-PHENYL-2-THIO-, AI3-24581, Benzamide, N-[(phenylamino)thioxomethyl]-, Benzamide, N-((phenylamino)thioxomethyl)-, BIM-0020150.P001, LS-158926, ST5035646, Benzamide, N-((phenylamino)thioxomethyl)- (9CI), SR-01000635902-1

Molecular Formula:	C₁₄H₁₂N₂OS	Molecular Weight:	256.322880 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	1

InChIKey: GVHZQIIMGRLFMX-UHFFFAOYSA-N

• 2-ATHBI

IUPAC Name: 1-[5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1H-imidazol-2-yl]ethanone | CAS Registry Number: 94944-70-4
Synonyms: 2-Athbi, C9H14N2O5, 2-Acetyl-4-tetrahydroxybutylimidazole, CHEBI:600055, MolPort-006-416-085, CID108037, ZINC05114223, 2-Acetyl-4(5)-tetrahydroxybutylimidazole, EC-000.1919, LS-178250, I00001, 2-Acetyl-4(5)-(1,2,3,4-tetrahydroxybutyl)-imidazole (THI), 2-acetyl-4(5)-(1(R),2(S),3(R),4-tetrahydroxybutyl)-imidazole, 2-Acetyl-4(5)-(l(R),2(5),3(R),4-tetrahydroxybutyl)-imidazole, Ethanone, 1-(4-(1,2,3,4-tetrahydroxybutyl)-1H-imidazol-2-yl)-, (1R-(1R*,2S*,3R*))-

Molecular Formula:	C₉H₁₄N₂O₅	Molecular Weight:	230.217860 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	6

InChIKey: CQSIXFHVGKMLGQ-BWZBUEFSSA-N

• 10058-F4

IUPAC Name: (5E)-5-[(4-ethylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | CAS Registry Number: 403811-55-2
Synonyms: c-Myc Inhibitor, Ambnee3018343, Ambcb5404711, MolPort-000-888-918, MolPort-002-114-791, ALBB-009118, ZINC01085341, ZINC02536881, ZINC12406714, CID1271002, NCGC00185994-01, (Z,E)-5-(4-Ethylbenzylidine)-2-thioxothiazolidin-4-one, (5E)-5-(4-ethylbenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one

Molecular Formula:	C₁₂H₁₁NOS₂	Molecular Weight:	249.351840 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: SVXDHPADAXBMFB-JXMROGBWSA-N

• 1-OLEOYL-SN-GLYCERO-3-PHOSPHONATE SODIUM SALT

IUPAC Name: sodium [2-hydroxy-3-[(Z)-octadec-9-enoyl]oxypropyl] hydrogen phosphate | CAS Registry Number: 22556-62-3
Synonyms: Oleoyl-lysophosphatidic acid, CID6441430

Molecular Formula:	C₂₁H₄₀NaO₇P	Molecular Weight:	458.501631 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	7

InChIKey: XGRLSUFHELJJAB-KVVVOXFISA-M

• (Z)-1-[N-(3-AMINOPROPYL)-N-(N-PROPYL)AMINO]DIAZEN-1-IUM-1,2-DIOLATE

IUPAC Name: N-[3-aminopropyl(propyl)amino]-N-hydroxynitrous amide | CAS Registry Number: 146672-58-4
Synonyms: PAPA NONOate, NOC-15, NSC634220, MolPort-006-822-677, AIDS135048, AIDS-135048, CID366046, N-propylpropaneciamine Nitric Oxide Adduct, NCI60_011383, 1-(3-Aminopropyl)-3-hydroxy-1-propyltriazane 2-oxide, 1-Hydroxy-2-oxo-3-(3-aminopropyl)-3-propyl-1-triazene

Molecular Formula:	C₆H₁₆N₄O₂	Molecular Weight:	176.216840 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: CXQCOPWRDNFJDZ-UHFFFAOYSA-N

• 4-(4-CHLOROPHENYL)-3-METHYL-3-BUTEN-2-ONE OXIME

IUPAC Name: (NE)-N-[(Z)-4-(4-chlorophenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine | CAS Registry Number: 55224-94-7
Synonyms: 4-(4-CHLOROPHENYL)-3-METHYLBUT-3-EN-2-OXIME, AP-18

Molecular Formula:	C₁₁H₁₂ClNO	Molecular Weight:	209.672080 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: MHTJEUOFLVQMCL-XTYDYKDCSA-N

• 8-Hydroxy-2'-deoxyguanosine

IUPAC Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,7-dihydropurine-6,8-dione | CAS Registry Number: 88847-89-6
Synonyms: 8-Oxoguanosine, 8-Oxo-dG, 8-Hydroxydeoxyguanosine, 8-Oxo-2'-deoxyguanine, 8-Oxo-7-hydrodeoxyguanosine, 8-Oxo-deoxyguanosine, 8-Oxo-2'-deoxyguanosine, 2a5b, 8-OHdG, 2'-deoxy-8-hydroxyguanosine, nchembio.2007.40-comp1, 8-Oxo-7,8-dihydro-2'-deoxyguanosine, nchembio.2007.33-comp31, CCRIS 8239, 7,8-Dihydro-2'-deoxy-8-oxoguanosine, CHEBI:40304, MolPort-002-054-578, AIDS088698, AIDS-088698, CID73318

Molecular Formula:	C₁₀H₁₃N₅O₅	Molecular Weight:	283.240720 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	7

InChIKey: HCAJQHYUCKICQH-VPENINKCSA-N

• (3N-[(2s,3s)-2-amino-3-methyl-pentanoyl]-1,3-thiazolidine) hemifumarate

IUPAC Name: 2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one;but-2-enedioic acid | CAS Registry Number: 136259-20-6
Synonyms: CTK8F0663

Molecular Formula:	C₁₃H₂₂N₂O₅S	Molecular Weight:	318.389180 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	7

InChIKey: ZSOPWZQRZHWYFY-UHFFFAOYSA-N

• 1400W dihydrochloride

IUPAC Name: 1-aminoethylidene-[[3-(azaniumylmethyl)phenyl]methyl]azanium | CAS Registry Number: 214358-33-5
Synonyms: ZINC03951312, CID7067501

Molecular Formula:	C₁₀H₁₇N₃+₂	Molecular Weight:	179.262080 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	1

InChIKey: RODUKNYOEVZQPR-UHFFFAOYSA-P

• 5-[(2R)-2-([(2R)-2-(3-CHLOROPHENYL)-2-HYDROXYETHYL]AMINO)PROPYL]-1,3-BENZODIOXOLE-2,2-DICARBOXYLATE DISODIUM

IUPAC Name: sodium;5-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate | CAS Registry Number: 151126-84-0
Synonyms: CL 316243 disodium salt, CTK8E7229

Molecular Formula:	C₂₀H₁₈ClNNaO₇-	Molecular Weight:	442.802189 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	8

InChIKey: DBEDHSNRCKDNPA-UHFFFAOYSA-L

• 20(S)-Hydroxycholesterol

IUPAC Name: (3S,8S,9S,10R,13S,14S,17S)-17-[(2R)-2-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol | CAS Registry Number: 516-72-3
Synonyms: 20-hydroxycholesterol, 20alpha-Hydroxycholesterol, CID440711, LMST01010211, DB04704, (3BETA,20R)-CHOLEST-5-ENE-3,20-DIOL, C05500, HC2, (3S,8S,9S,10R,13S,14S,17S)-17-[(2R)-2-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Molecular Formula:	C₂₇H₄₆O₂	Molecular Weight:	402.652940 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: MCKLJFJEQRYRQT-MGNSQDQZSA-N