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• Voglibose

IUPAC Name: (1S,2S,3R,4S,5S)-5-(1,3-dihydroxypropan-2-ylamino)-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol | CAS Registry Number: 83480-29-9
Synonyms: voglibose, Basen, Glustat, Basen OD, Basen (TN), Ambap5436, Voglibose (JP15/USAN/INN), AO-128, DB04878, TL8005479, D01665, A-71100, (1S,2S,3R,4S,5S)-5-(1,3-dihydroxypropan-2-ylamino)-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, (1S,2S,3R,4S,5S)-5-{[2-hydroxy-1-(hydroxymethyl)ethyl]amino}-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol

Molecular Formula:	C₁₀H₂₁NO₇	Molecular Weight:	267.276240 [g/mol]
H-Bond Donor:	8	H-Bond Acceptor:	8

InChIKey: FZNCGRZWXLXZSZ-CIQUZCHMSA-N

• Voriconazole

IUPAC Name: (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol | CAS Registry Number: 137234-62-9
Synonyms: Vfend, Vfend (TN), Pfizer brand of voriconazole, MLS000759464, MLS001424082, Voriconazole (JAN/USAN/INN), Voriconazole [USAN:BAN:INN], Voriconazole [USAN:INN:BAN], DRG-0301, AIDS045515, AIDS-045515, UK-109496, UK-109,496, DB00582, CPD000466350, SAM001246664, SMR000466350, LS-181799, TL8000858, UK 109496

Molecular Formula:	C₁₆H₁₄F₃N₅O	Molecular Weight:	349.310470 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	9

InChIKey: BCEHBSKCWLPMDN-MGPLVRAMSA-N

• Warfarin

IUPAC Name: 2-hydroxy-3-(3-oxo-1-phenylbutyl)chromen-4-one | CAS Registry Number: 81-81-2
Synonyms: warfarin, Coumafene, Prothromadin, Coumadin, Coumafen, Rattentraenke, Coumefene, Panwarfin, Rodafarin, Brumolin, Kypfarin, Rattunal, Solfarin, Warfarat, Dethmor, Dethnel, Kumader, Maveran, Ratorex, Kumadu

Molecular Formula:	C₁₉H₁₆O₄	Molecular Weight:	308.327940 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: QTXVAVXCBMYBJW-UHFFFAOYSA-N

• Xanthine (2,6-Dihydroxy Purine)

IUPAC Name: 3,7-dihydropurine-2,6-dione | CAS Registry Number: 69-89-6
Synonyms: xanthine, Pseudoxanthine, Isoxanthine, Xanthin, Xanthic oxide, 2,6-dioxopurine, Purine analog, 7H-xanthine, 9H-xanthine, Purine-2,6-diol, 1H-Purine-2,6-diol, 2-Oxohypoxanthine, 2,6-Dihydroxypurine, Xanthine (VAN), nchembio.92-comp4, 9H-Purine-2,6-diol, 2,6(1,3)-Purinedion, USAF CB-17, CCRIS 994, MolMap_000070

Molecular Formula:	C₅H₄N₄O₂	Molecular Weight:	152.110860 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: LRFVTYWOQMYALW-UHFFFAOYSA-N

• Zaleplon

IUPAC Name: N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide | CAS Registry Number: 151319-34-5
Synonyms: zaleplon, Sonata, Zerene, Sonata (TN), Zaleplon [USAN:INN], DEA No. 2781, Zaleplon (JAN/USAN/INN), MLS000759451, ZAL 846, C17H15N5O, LJC 10846, BB_SC-4140, SKP-1041, AZ-007, LJC-10846, L846, CL-284846, DB00962, LS-8737, CL 284,846

Molecular Formula:	C₁₇H₁₅N₅O	Molecular Weight:	305.333900 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: HUNXMJYCHXQEGX-UHFFFAOYSA-N

• Zidovudine

IUPAC Name: 1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione | CAS Registry Number: 30516-87-1
Synonyms: zidovudine, Azidothymidine, Retrovir, Combivir, Trizivir, antiviral, Compound S, Aztec, Mixture Name, 3'-Azido-3'-deoxythymidine, AZT Antiviral, Propolis+AZT, azidodeoxythymidine, AZT, Antiviral, Zidovudinum [Latin], 3'-Azidothymidine, AZT (Antiviral), Zidovudina [Spanish], Retrovir (TN), Cpd S

Molecular Formula:	C₁₀H₁₃N₅O₄	Molecular Weight:	267.241320 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: HBOMLICNUCNMMY-XLPZGREQSA-N

• Ziprasidone

IUPAC Name: 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one | CAS Registry Number: 146939-27-7
Synonyms: Zeldox, ziprazidone, Geodon, Ambap6301, Ziprasidone hydrochloride, Ziprasidone [INN:BAN], C21H21ClN4OS, MLS000759435, Ziprasidone mesylate trihydrate, CHEBI:10119, CID60854, DB00246, CP 88059, CPD000466328, LS-83744, SAM001246607, SMR000466328, CP-88,059, TL8000889, CP 88059-01

Molecular Formula:	C₂₁H₂₁ClN₄OS	Molecular Weight:	412.935640 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: MVWVFYHBGMAFLY-UHFFFAOYSA-N

• Zoledronic Acid

IUPAC Name: (1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid | CAS Registry Number: 118072-93-8
Synonyms: Zoledronic acid, Zoledronate, Zometa, Aclasta, Reclast, Bisphosphonate 3, Zometa (Novartis), Zoledronic acid [USAN:INN], STOCK1N-71622, CHEBI:46557, Novartis brand of zoledronic acid, CGP 42446, CGP 42446A, CID68740, CGP-42446, NSC721517, (1-Hydroxy-2-imidazol-1-ylethylidene)diphosphonic acid, CGP 42'446, CGP-42'446, DB00399

Molecular Formula:	C₅H₁₀N₂O₇P₂	Molecular Weight:	272.089622 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	9

InChIKey: XRASPMIURGNCCH-UHFFFAOYSA-N

• Zolmitriptan

IUPAC Name: (4S)-4-[[3-(2-dimethylaminoethyl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one | CAS Registry Number: 139264-17-8
Synonyms: zolmitriptan, Zomig, Zomigon, Flezol, AscoTop, Zomig Nasal Spray, Zomig ZMT, Zomig-ZMT, Zolmitriptan [USAN], Spectrum2_000728, MLS000758208, MLS001424172, SPECTRUM1505281, SPBio_000656, CHEBI:10124, C16H21N3O2, CID60857, 311C90, BW-311C90, CPD000449310

Molecular Formula:	C₁₆H₂₁N₃O₂	Molecular Weight:	287.356840 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: ULSDMUVEXKOYBU-ZDUSSCGKSA-N

• Zolpidem

IUPAC Name: N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide | CAS Registry Number: 82626-48-0
Synonyms: zolpidem, Lorex, Ambien, Zolpidemum [Latin], ZOLPIDEM TARTRATE, Zolpidem [INN:BAN], Z103_SIGMA, DEA No. 2783, BSPBio_002278, SPECTRUM1505369, STOCK6S-53875, CID5732, 2C19H21N3O, DB00425, SL-800750, NCGC00095179-01, NCGC00095179-02, NCGC00095179-03, NCGC00095179-04, LS-80196

Molecular Formula:	C₁₉H₂₁N₃O	Molecular Weight:	307.389540 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: ZAFYATHCZYHLPB-UHFFFAOYSA-N

• Zonisamide

IUPAC Name: 1,2-benzoxazol-3-ylmethanesulfonamide | CAS Registry Number: 68291-97-4
Synonyms: zonisamide, Zonegran, Exceglan, Excegram, Excegran, Tremode, Trerief, Zonisamidum [Latin], Zonisamida [Spanish], Excegran (TN), Zonisamide (ZNS), C8H8N2O3S, HSDB 7293, MLS001195632, MLS001306491, Zonisamide (JAN/USAN/INN), AD-810, CI-912, Zonisamide [USAN:BAN:INN:JAN], 1,2-Benzisoxazole-3-methanesulfonamide

Molecular Formula:	C₈H₈N₂O₃S	Molecular Weight:	212.225720 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: UBQNRHZMVUUOMG-UHFFFAOYSA-N

• Zopiclone

IUPAC Name: [6-(5-chloropyridin-2-yl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate | CAS Registry Number: 43200-80-2
Synonyms: zopiclone, Imovane, Amoban, Zimovane, Amovane, Ximovan, zopiclodura, Eszopiclone, Optidorm, Somnosan, Zimoclone, Zopicalm, Zopicalma, Zorclone, Limovan, Rhovane, Zopitan, Siaten, Zileze, ratio-Zopiclone

Molecular Formula:	C₁₇H₁₇ClN₆O₃	Molecular Weight:	388.808280 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	7

InChIKey: GBBSUAFBMRNDJC-UHFFFAOYSA-N

• 1-Benzyl-3-hydroxy-1H indazole

IUPAC Name: 1-(phenylmethyl)-2H-indazol-3-one | CAS Registry Number: 2215-63-6
Synonyms: CBMicro_007258, ChemDiv2_000492, 1-Benzyl-1H-indazol-3-ol, Oprea1_122894, Oprea1_591436, MLS001211149, 1H-Indazol-3-ol, 1-benzyl-, STOCK1S-86033, 1-Benzyl-1,2-dihydro-indazol-3-one, EINECS 218-680-4, EINECS 236-138-5, NSC247064, ZINC00238036, 1-Benzyl-1,2-dihydro-3H-indazol-3-one, BAS 01403806, SMR000516810, BIM-0007142.P001, ST5406772, 3H-Indazol-3-one, 1,2-dihydro-1-(phenylmethyl)-, 1-Benzyl-1,2-dihydro-3H-indazol-3-one, sodium salt

Molecular Formula:	C₁₄H₁₂N₂O	Molecular Weight:	224.257880 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: SXPJFDSMKWLOAB-UHFFFAOYSA-N

• 4-Hydroxyphenylethylamine (Tyramine)

IUPAC Name: 4-(2-aminoethyl)phenol | CAS Registry Number: 51-67-2
Synonyms: tyramine, Uteramine, p-Tyramine, Tocosine, Tyramin, Systogene, Tyrosamine, Tenosin-wirkstoff, para-Tyramine, 4-(2-Aminoethyl)phenol, 4-Hydroxyphenethylamine, L-Tyramine, p-Hydroxyphenethylamine, Phenol, 4-(2-aminoethyl)-, p-Hydroxyphenylethylamine, p-(2-Aminoethyl)phenol, 4-Hydroxyphenylethylamine, Phenol, p-(2-aminoethyl)-, p-beta-Aminoethylphenol, 2-(p-Hydroxyphenyl)ethylamine

Molecular Formula:	C₈H₁₁NO	Molecular Weight:	137.179040 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: DZGWFCGJZKJUFP-UHFFFAOYSA-N

• 3-(2-(3-Chlorophenyl)ethyl)-2-Pyridine Carbonitrile

IUPAC Name: 3-[2-(3-chlorophenyl)ethyl]pyridine-2-carbonitrile | CAS Registry Number: 31255-57-9
Synonyms: 3-[2-(3-chlorophenyl)ethyl]-2-pyridinecarbonitrile, 3-[2-(3-Chlorophenyl)ethyl]-2-cyanopyridine, AE-641/11949211, 3-[2-(3-chlorophenyl)ethyl]pyridine-2-carbonitrile, 3-[2-(3-Chlorophenyl)-Ethyl ]-Pyridine Carbonitrile, ZINC04115683, PubChem2462, AC1N44QJ, SureCN6176675, MLS001178558, CTK4G6656, MolPort-002-801-180, HMS2778H11, 3-(m-Chlorophenethyl)picolinonitrile, AKOS005067481, 2-cyano-3-(3-chlorophenethyl)pyridine, AG-A-55108, AG-F-03712, MCULE-1056443956, 2-Cyano-3-(3-chlorophenylethyl)pyridine

Molecular Formula:	C₁₄H₁₁ClN₂	Molecular Weight:	242.703540 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: JPCGKKFEDUHGDF-UHFFFAOYSA-N

• 6,7-Dimethoxy-1-Veratrylisoquinoline

IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline | CAS Registry Number: 58-74-2
Synonyms: papaverine, Papaverin, Papanerine, Robaxapap, Papanerin, Pavabid, Cerespan, Ceraspan, Pavacot, Pavatym, Papaverine Hcl, Papaverina [Italian], Papaverine [BAN], Papaverinium chloride, Papavarine chlorhydrate, Papaverine chlorohydrate, Spectrum_000071, Prestwick0_000583, Prestwick1_000583, Prestwick2_000583

Molecular Formula:	C₂₀H₂₁NO₄	Molecular Weight:	339.385040 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: XQYZDYMELSJDRZ-UHFFFAOYSA-N

• 5-Aminoimidazole-4-Carboxamide HCL

IUPAC Name: 4-amino-1H-imidazole-5-carboxamide hydrochloride | CAS Registry Number: 72-40-2
Synonyms: AIC .cntdot. HCl, AICA, MLS000881124, 164968_ALDRICH, A8004_SIAL, 08220_FLUKA, EINECS 200-778-3, Aminoimidazolecarboxamide hydrochloride, NSC 113496, 4-Aminoimidazole-5-carboxamide hydrochoride, 4-Amino-5-imidazolecarboxamide hydrochloride, 5-Aminoimidazole-4-carboxamide hydrochloride, NSC113496, SBB003938, 5-Aminoimidazol-4-carboxamide, hydrochloride, AI3-26819, 5-Amino-4-imidazole carboxamide hydrochloride, LS-78158, SMR000685800, 4-AMINO-5-IMIDAZOLE CARBOXAMIDE HCL

Molecular Formula:	C₄H₇ClN₄O	Molecular Weight:	162.577580 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	4

InChIKey: MXCUYSMIELHIQL-UHFFFAOYSA-N

• 1-Hydroxyethylidene-1,1-Diphosphonic Acid (Hedp)

IUPAC Name: (1-hydroxy-1-phosphonoethyl)phosphonic acid | CAS Registry Number: 2809-21-4
Synonyms: Etidronic acid, Etidronsaeure, Turpinal SL, etidronate, EHDP, HEDP, Diphosphonate (base), Acetodiphosphonic acid, Dequest Z 010, Dequest 2010, Dequest 2015, Ferrofos 510, Etidronate disodium, Hydroxyethanediphosphonic acid, Oxyethylidenediphosphonic acid, Prestwick0_000863, Prestwick1_000863, Prestwick2_000863, Prestwick3_000863, 1-Hydroxyethanediphosphonic acid

Molecular Formula:	C₂H₈O₇P₂	Molecular Weight:	206.028242 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	7

InChIKey: DBVJJBKOTRCVKF-UHFFFAOYSA-N

• 2,6-Diisopropyl Phenol

IUPAC Name: 2,6-di(propan-2-yl)phenol | CAS Registry Number: 2078-54-8
Synonyms: propofol, Diprivan, Disoprofol, Diisopropylphenol, 2,6-DIISOPROPYLPHENOL, Disoprivan, Propofolum, Dipravan, Fresofol, Ampofol, Aquafol, Recofol, Ivofol, Propofol Abbott, Propofol-Lipuro, Propofol Rovi, Propofol MCT, 2,6-Bis(1-methylethyl)phenol, Propofolum [Latin], Propofol Fresenius

Molecular Formula:	C₁₂H₁₈O	Molecular Weight:	178.270720 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: OLBCVFGFOZPWHH-UHFFFAOYSA-N

• 2-Pyrazine Carboxylic Acid

IUPAC Name: pyrazine-2-carboxylic acid | CAS Registry Number: 98-97-5
Synonyms: pyrazinoic acid, pyrazinoate, Pyrazinic acid, pyrazinecarboxylic acid, 2-Pyrazinecarboxylic acid, 2-Pyrazinoic acid, 2-Pyrazinecarboxylic, Piazinecarboxylic acid, pyrazinemonocarboxylic acid, 2-Pyrazine carboxylic acid, Pyrazine-2-carboxylic acid, PYRAZINOIC-ACID, Paradiazinecarboxylic acid, P56100_ALDRICH, MLS000069596, NSC13146, 82611_FLUKA, AIDS010179, AIDS-010179, NSC27192

Molecular Formula:	C₅H₄N₂O₂	Molecular Weight:	124.097460 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: NIPZZXUFJPQHNH-UHFFFAOYSA-N

• 5-Aminosalicylic Acid

IUPAC Name: 5-amino-2-hydroxybenzoic acid | CAS Registry Number: 89-57-6
Synonyms: mesalamine, Mesalazine, Pentasa, 5-Aminosalicylic acid, Asacol, Rowasa, Claversal, Salofalk, Canasa, Lialda, Mesalazina, Mesalazinum, Mesavance, Mezavant, m-Aminosalicylic acid, Mesasal, Apriso, Iialda, 5-Aminosalicylate, Mesalazine MMX

Molecular Formula:	C₇H₇NO₃	Molecular Weight:	153.135380 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: KBOPZPXVLCULAV-UHFFFAOYSA-N

• 6-Mercaptopurine

IUPAC Name: 3,7-dihydropurine-6-thione | CAS Registry Number: 50-44-2
Synonyms: mercaptopurine, Mercapurin, Leupurin, Mercaleukin, Purinethiol, Purinethol, Leukerin, 6-Mercaptopurin, Ismipur, 6-Thioxopurine, 6-Purinethiol, 6-Thiopurine, Mern, Mercaleukim, Purimethol, Leukeran, Puri-Nethol, 6-Thiohypoxanthine, Purine-6-thiol, 3H-Purine-6-thiol

Molecular Formula:	C₅H₄N₄S	Molecular Weight:	152.177060 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: GLVAUDGFNGKCSF-UHFFFAOYSA-N

• 6-Fluorochromone-2-carboxylic acid

IUPAC Name: 6-fluoro-4-oxochromene-2-carboxylic acid | CAS Registry Number: 99199-59-4
Synonyms: 6-Fluoro-4-oxo-4H-1-benzopyran-2-carboxylic acid, 6-fluoro-4-oxochromene-2-carboxylic acid, 6-Fluoro-4-oxo-4H-chromene-2-carboxylic acid, SBB065732, 6-fluoro-4-oxo-1-benzopyran-2-carboxylic acid, PubChem9710, ACMC-209sbz, 6-fluoro-4-oxo-chromene-2-carboxylic Acid, AC1N40RA, SureCN2318176, 543764_ALDRICH, CHEMBL1213611, CTK3I6619, MolPort-001-771-766, ANW-40989, AKOS000117372, AC-5328, AG-C-46275, AG-I-01183, MB02580

Molecular Formula:	C₁₀H₅FO₄	Molecular Weight:	208.142703 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: JZJYDFADRMBXAW-UHFFFAOYSA-N

• (4-Amino-1-hydroxy-1-phosphonobutyl)phosphonic acid

IUPAC Name: (4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid | CAS Registry Number: 66376-36-1
Synonyms: alendronate, ALENDRONIC ACID, Arendal, 1yhm, bisphosphonate, 65, Alendronic acid (INN), ALENDRONATE SODIUM, Acide alendronique [INN-French], Acido alendronico [INN-Spanish], Acidum alendronicum [INN-Latin], Alendronic acid [BAN:INN], Alendronic acid [INN:BAN], Oprea1_422906, SPECTRUM1505166, CHEBI:2567, CID2088, MK 217, AIDS112217, AIDS-112217, (4-Amino-1-hydroxybutylidene)bisphosphonic acid

Molecular Formula:	C₄H₁₃NO₇P₂	Molecular Weight:	249.096042 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	8

InChIKey: OGSPWJRAVKPPFI-UHFFFAOYSA-N

• 17-Allylaminogeldanamycin

IUPAC Name: [(3R,5S,6R,7S,8E,10S,11S,12E,14E)-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-21-(prop-2-enylamino)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate | CAS Registry Number: 75747-14-7
Synonyms: Tanespimycin [USAN], 17-(Allylamino)geldanamycin, 17AAG, KOS-953, NSC 330507, Cp 127374, 17-Demethoxy-17-allylamino geldanamycin, 17-(Allylamino)-17-demethoxygeldanamycin, NSC-330507, NCGC00162425-01, LS-183128, Geldanamycin, 17-(Allylamino)-17-demethoxy-, Geldanamycin, 17-demethoxy-17-(2-propenylamino)-, AAG, (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-Hydroxy-8,14-dimethoxy-4,10,12,16- tetramethyl-3,20,22-trioxo-19-(prop-2-enylamino)-2-azabicyclo(16.3.1)docosa- 1(21),4,6,10,18-penten-9-yl carbamate

Molecular Formula:	C₃₁H₄₃N₃O₈	Molecular Weight:	585.688420 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	9

InChIKey: AYUNIORJHRXIBJ-HTLBVUBBSA-N

• (4S)-3-[5-(4-Fluorophenyl)-1,5-dioxopenyl]-4-phenyl-2-oxazolidinone

IUPAC Name: 1-(4-fluorophenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentane-1,5-dione | CAS Registry Number: 189028-93-1
Synonyms: 3-[5-(4-fluorophenyl)-1,5-dioxopentyl]-4-phenyl-(4S)-2-oxazolidinone, (S)-1-(4-Fluorophenyl)-5-(2-oxo-4-phenyloxazolidin-3-yl)pentane-1,5-dione, Ezetimibe Intermediate-5, SureCN1177723, Jsp003882, CTK4D9991, MolPort-005-940-270, ACT07247, AMX10118, ANW-44831, SC3731, ZINC21999755, AKOS015896147, AC-1649, AG-E-37893, RL02399, AK-23669, KB-51840, FT-0648270, ST51053181

Molecular Formula:	C₂₀H₁₈FNO₄	Molecular Weight:	355.359623 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: XXSSRSVXDNUAQX-QGZVFWFLSA-N

• 1-Benzyl-3-[3-(dimethylamino)propoxy]-1H-indazole

IUPAC Name: N,N-dimethyl-3-[1-(phenylmethyl)indazol-3-yl]oxypropan-1-amine | CAS Registry Number: 642-72-8
Synonyms: Benzidamine, BENZYDAMINE, Apo-Benzydamine, Benzidamina [DCIT], Benzydamine (INN), Apo-Benzydamine (TN), Benzydaminum [INN-Latin], Bencidamina [INN-Spanish], Benzydamine [INN:BAN], Prestwick0_000297, Prestwick1_000297, Prestwick2_000297, Prestwick3_000297, Benzydamine Monohydrochoride, BSPBio_000234, SPBio_002453, BPBio1_000258, C19H23N3O, EINECS 211-388-8, ALD-N036533

Molecular Formula:	C₁₉H₂₃N₃O	Molecular Weight:	309.405420 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: CNBGNNVCVSKAQZ-UHFFFAOYSA-N

• 5-Hydroxy-2-pyrazinecarboxylic acid

IUPAC Name: 6-oxo-1H-pyrazine-3-carboxylic acid | CAS Registry Number: 34604-60-9
Synonyms: 5-Hydroxypyrazinoic acid, 56350_FLUKA, 5-hydroxypyrazine-2-carboxylic acid, ALBB-005446, Pyrazinecarboxylic acid, 4,5-dihydro-5-oxo-

Molecular Formula:	C₅H₄N₂O₃	Molecular Weight:	140.096860 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: CGQFCIHUUCMACC-UHFFFAOYSA-N

• 4-Hydroxymephenytoin

IUPAC Name: 5-ethyl-5-(4-hydroxyphenyl)-3-methylimidazolidine-2,4-dione | CAS Registry Number: 61837-65-8
Synonyms: para-Hydroxymephenytoin, UC126_SIGMA, H146_SIGMA, 4-hydroxymephenytoin, (S)-isomer, NCGC00165917-01, C025687, ()-5-Ethyl-5-(4-hydroxyphenyl)-3-methylhydantoin, 5-Ethyl-5-(4-hydroxyphenyl)-3-methyl-2,4-imidazolidinedione, ()-5-Ethyl-5-(4-hydroxyphenyl)-3-methylimididazolidine-2,4-dione, 2,4-Imidazolidinedione, 5-ethyl-5-(4-hydroxyphenyl)-3-methyl-

Molecular Formula:	C₁₂H₁₄N₂O₃	Molecular Weight:	234.251160 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: OQPLORUDZLXXPD-UHFFFAOYSA-N

• 4-(3, 4 - Dichlorophenyl) - 3, 4 - Dihydro - 1 - (2h) - Naphthalenone

IUPAC Name: 4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-one | CAS Registry Number: 124379-29-9
Synonyms: 4-(3,4-Dichlorophenyl)-1-tetralone, 79560-19-3, 4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-one, SBB063227, AG-H-19142, 4-(3,4-dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenone, 79836-44-5, 4-(3,4-Dichlorophenyl)-3,4-dihydronaphthalen-1(2H)-one, 4-(3,4-Dichlorophenyl)-3,4-dihydro-1(2H)-naphtalene-1-one, ACMC-20emtd, PubChem2561, AC1MWATD, SureCN260267, SureCN7736643, KSC377A8J, 1(2H)-Naphthalenone,4-(3,4-dichlorophenyl)-3,4-dihydro-, (4S)-, CTK2H7084, MolPort-003-846-595, ANW-51359, 4-(3,4-Dichloro Phenyl)-Tetralone

Molecular Formula:	C₁₆H₁₂Cl₂O	Molecular Weight:	291.171880 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: JGMBHJNMQVKDMW-UHFFFAOYSA-N

• 4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile

IUPAC Name: 4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile | CAS Registry Number: 103146-25-4
Synonyms: 4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile, AR-011/42531550, Benzonitrile,4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)-, Citadiol;, 4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile, SureCN679, ACMC-1AK18, UNII-2FZ7LD4B44, CTK4A1779, MolPort-003-803-945, ANW-46813, SBB066257, AKOS015896132, AG-D-13446, AK-46285, KB-188678, TL8006120, FT-0651613, X4389, A800683

Molecular Formula:	C₂₀H₂₃FN₂O₂	Molecular Weight:	342.407223 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: GNULRNVWXYXBQY-UHFFFAOYSA-N

• 6-fluoro-3,4-dihydro-2h-1-benzopyran-2-carboxylic Acid

IUPAC Name: 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylic acid | CAS Registry Number: 129050-20-0
Synonyms: 6-FLUOROCHROMANE-2-CARBOXYLIC ACID, 99199-60-7, 6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid, SBB053530, 6-FLUOROCHROMAN-2-CARBOXYLIC ACID, rac-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylic Acid, 2H-1-BENZOPYRAN-2-CARBOXYLIC ACID, 6-FLUORO-3,4-DIHYDRO-, ACMC-209uzd, ACMC-20mt3a, ACMC-20mt3b, SureCN908153, AGN-PC-00P2GZ, KSC174G8J, 2H-1-Benzopyran-2-carboxylic acid, 6-fluoro-3,4-dihydro-, (2S)-, 2H-1-Benzopyran-2-carboxylicacid, 6-fluoro-3,4-dihydro-, (2R)-, Jsp001786, CTK0H4384, 6-Fluorochromane-2-carboxylicacid, 129101-36-6, 129101-37-7

Molecular Formula:	C₁₀H₉FO₃	Molecular Weight:	196.175063 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: ZNJANLXCXMVFFI-UHFFFAOYSA-N

• (S)-Warfarin

IUPAC Name: 2-hydroxy-3-(3-oxo-1-phenylbutyl)chromen-4-one | CAS Registry Number: 5543-57-7
Synonyms: warfarin, Coumafene, Prothromadin, Coumadin, Coumafen, Rattentraenke, Coumefene, Panwarfin, Rodafarin, Brumolin, Kypfarin, Rattunal, Solfarin, Warfarat, Dethmor, Dethnel, Kumader, Maveran, Ratorex, Kumadu

Molecular Formula:	C₁₉H₁₆O₄	Molecular Weight:	308.327940 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: QTXVAVXCBMYBJW-UHFFFAOYSA-N

• (R)-Warfarin

IUPAC Name: 2-hydroxy-3-[(1R)-3-oxo-1-phenylbutyl]chromen-4-one | CAS Registry Number: 5543-58-8
Synonyms: Dextrowarfarin, (R)-()-Warfarin, R-WARFARIN, 1h9z, UC213_SIGMA, EINECS 226-908-9, ZINC00044635, NCGC00165933-01, R-()-3-Acetonybenzyl)-4-hydroxycoumarin, (R)-4-Hydroxy-3-(3-oxo-1-phenylbutyl)-2-benzopyrone, DL-3-(ALPHA-ACETONYLBENZYL)-4-HYDROXYCOUMARIN,TECH, DL-3-(alpha-ACETONYLBENZYL)-4-HYDROXY COUMARINE, PURE, (R)-4-Hydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one, R-()-4-Hydroxy-3-(3-oxo-1-phenybutyl)-2H-1-benzopyran-2-one, 2H-1-Benzopyran-2-one, 4-hydroxy-3-(3-oxo-1-phenylbutyl)-, (R)-, 81-81-2, RWF

Molecular Formula:	C₁₉H₁₆O₄	Molecular Weight:	308.327940 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: QTXVAVXCBMYBJW-OAHLLOKOSA-N

• (+)-Quinidine

IUPAC Name: (S)-[(4S,5R,7R)-5-ethenyl-1-azabicyclo[2.2.2]octan-7-yl]-(6-methoxyquinolin-4-yl)methanol | CAS Registry Number: 56-54-2
Synonyms: quinidine, chinidinum, quinidina, Conchinine, Conquinine, Quinicardine, Quiniduran, Auriquin, Chinidin, Chinidine, Coccinine, Conchinin, Pitayine, Quinidex, beta-Quinine, Quinidine gluconate, Quinidine sulfate, Cin-Quin, (8R,9S)-Quinidine, Prestwick3_000280

Molecular Formula:	C₂₀H₂₄N₂O₂	Molecular Weight:	324.416760 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: LOUPRKONTZGTKE-LHHVKLHASA-N

• 2-Azaspiro-[4,5]-decan-3-one

IUPAC Name: 2-azaspiro[4.5]decan-3-one | CAS Registry Number: 64744-50-9
Synonyms: 2-azaspiro[4.5]decan-3-one, 553743_ALDRICH, 3-Azaspiro[4.5]decan-2-one, 2-AZASPIRO(4,5)DECAN-3-ONE, 4,4-Pentamethylene-2-pyrrolidinone, CID47457, BRN 0119500, 2-PYRROLIDONE,4,4-PENTAMETHYLENE, LS-22729, beta,beta-Pentamethylen-gamma-butyrolactam [German], 5-21-07-00071 (Beilstein Handbook Reference), InChI=1/C9H15NO/c11-8-6-9(7-10-8)4-2-1-3-5-9/h1-7H2,(H,10,11

Molecular Formula:	C₉H₁₅NO	Molecular Weight:	153.221500 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: JAWPQJDOQPSNIQ-UHFFFAOYSA-N

• 3,3',5,5'-Tetraiodo-L-Thyronine

IUPAC Name: (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid | CAS Registry Number: 51-48-9
Synonyms: L-thyroxine, levothyroxine, thyroxine, synthroid, thyroxin, Thyroxine iodine, Levothyroxin, Thyreoideum, Thyratabs, Thyroxinal, Thyrax, Tetraiodothyronine, Thyroxine (l), L-Thyroxin, (-)-Thyroxine, Thryroxine, l-, Laevothyroxinum, Thyroxine (VAN), DL-Thyroxin, Tetramet

Molecular Formula:	C₁₅H₁₁I₄NO₄	Molecular Weight:	776.870020 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: XUIIKFGFIJCVMT-LBPRGKRZSA-N

• 8-Chloro-6,11-dihydro-11-(1-methyl-4-piperidinyl)-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ol

IUPAC Name: 8-chloro-11-(1-methylpiperidin-4-yl)-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-ol | CAS Registry Number: 38089-93-9
Synonyms: 8-chloro-6,11-dihydro-11-(1-methyl-4-piperidinyl)-5H-benzo[5,6]cyclohepta[1,2-B]pyridin-11-ol, 8-chloro-6,11-dihydro-11-(1-methyl-4-piperidinyl)-5h-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ol, AGN-PC-00ITT0, SureCN4457894, CTK4H9303, MolPort-003-986-807, AKOS015964678, AG-F-34147, 11-Hydroxy-N-methyl Dihydro Loratadine, AK116495, U831, KB-200306, TL8002790, FT-0657832, 8-chloro-11-(1-methylpiperidin-4-yl)-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-ol, 5H-Benzo[5,6]cyclohepta[1,2-b]pyridin-11-ol,8-chloro-6,11-dihydro-11-(1-methyl-4-piperidinyl)-, 8-Chloro-11-(1-methylpiperidin-4-yl)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ol

Molecular Formula:	C₂₀H₂₃ClN₂O	Molecular Weight:	342.862420 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: HSLLZISLOQPUNP-UHFFFAOYSA-N

• 6-Methoxy naphthalene acetic acid

IUPAC Name: 2-(6-methoxynaphthalen-2-yl)acetic acid | CAS Registry Number: 23981-47-7
Synonyms: 6-MNA cpd, 6MNA, 6-Methoxy-2-naphthylacetic acid, 6-MNAA, 6-Methoxy-2-naphthaleneacetic acid, 6-Methoxynaphthalene-2-acetic acid, CHEBI:35628, EINECS 245-967-1, BRL 10720, (6-methoxy-2-naphthyl)acetic acid, C13H12O3, 6-Metossi-2-naphtil acetico [Italian], BRN 2371586, (6-methoxynaphthalen-2-yl)acetic acid, 2-NAPHTHALENEACETIC ACID, 6-METHOXY-, LS-94331, 3-10-00-01106 (Beilstein Handbook Reference)

Molecular Formula:	C₁₃H₁₂O₃	Molecular Weight:	216.232580 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: PHJFLPMVEFKEPL-UHFFFAOYSA-N

• (3,4-Dihydroxyphenyl)glycol

IUPAC Name: 4-(1,2-dihydroxyethyl)benzene-1,2-diol | CAS Registry Number: 28822-73-3
Synonyms: DOPEG, 3,4-Dihydroxyphenylglycol, Dihydroxyphenylethylene glycol, dl-3,4-Dihydroxyphenylglycol, D9753_SIGMA, DL-3,4-Dihydroxyphenyl glycol, 3,4-Dihydroxyphenylethyleneglycol, CID91528, NSC92532, EINECS 249-260-9, NSC 92532, DL-beta,3,4-Trihydroxyphenethyl alcohol, (1)-4-(1,2-Dihydroxyethyl)pyrocatechol, 1-(3,4-Dihydroxyphenyl)ethane-1,2-diol, 4-(1,2-Dihydroxyethyl)-1,2-benzenediol, ST5437420, 1,2-Benzenediol, 4-(1,2-dihydroxyethyl)-, C05576, DL-alpha,beta,3,4-Tetrahydroxyphenethyl alcohol, 1,2-Benzenediol, 4-(1,2-dihydroxyethyl)-, (.+/-.)-

Molecular Formula:	C₈H₁₀O₄	Molecular Weight:	170.162600 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	4

InChIKey: MTVWFVDWRVYDOR-UHFFFAOYSA-N

• 7-Ethoxycoumarin

IUPAC Name: 7-ethoxychromen-2-one | CAS Registry Number: 31005-02-4
Synonyms: 7-ETHOXYCOUMARIN, Herniarin, Ethylumbelliferone, E1379_SIGMA, 7-Ethoxy-1-benzopyran-2-one, CHEBI:28184, 2H-1-Benzopyran-2-one, 7-ethoxy-, 7-ethoxy-2H-1-benzopyran-2-one, EINECS 250-429-4, ZINC00057719, LS-193364, ST5306946, C11052, E-5002, C017299

Molecular Formula:	C₁₁H₁₀O₃	Molecular Weight:	190.195300 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: LIFAQMGORKPVDH-UHFFFAOYSA-N

• 8-Chloro-10,11-dihydro-4-aza-5H-dibenzo-(a,d)cycloheptan-5-one

IUPAC Name: 8-chloro-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-one | CAS Registry Number: 31251-41-9
Synonyms: 8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one, 8-Chloro-10,11-dihydro-4-aza-5H-dibenzo[a,d]cycloheptan-5-one, 8-Chloro-10,11-dihydro-4-aza-5H-benzo[A,D] cycloheptan-5-one, 8-Chloro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11(6H)-one, 8-chloro-5,6-dihydro-11h-benzo(5,6)cyclohepta(1,2-b)pyridin-11-one, PubChem2463, SureCN3839936, BEN024, CTK6H2015, MolPort-003-845-799, ANW-58726, ZINC02569976, AKOS005067771, AG-C-31776, AG-F-03682, AC-15890, AK-72504, TL8006452, WT-130554, FT-0638960

Molecular Formula:	C₁₄H₁₀ClNO	Molecular Weight:	243.688300 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: WMQNOYVVLMIZDV-UHFFFAOYSA-N

• (S)-(+)-2-Chlorophenylglycine methyl ester hydrochloride

IUPAC Name: methyl (2S)-2-amino-2-(2-chlorophenyl)acetate | CAS Registry Number: 141109-14-0
Synonyms: (S)-(+)-2-Chlorophenylglycine methyl ester, PubChem6252, SureCN5101666, AC-255, ZINC21983015, (S)-2-chlorophenylglycine methyl ester, AM84375, RP25728, AK-45098, KB-04966, L-(+)-2-Chlorophenylglycine methyl ester, FT-0082987, FT-0643322, (S)-Methyl 2-amino-2-(2-chlorophenyl)acetate, S01-0713

Molecular Formula:	C₉H₁₀ClNO₂	Molecular Weight:	199.634200 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: UTWOZNRDJNWTPS-QMMMGPOBSA-N

• 2-(2-(3(S)-(3-(2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)- 3-hydroxypropyl)phenyl)-2-propanol

IUPAC Name: (1S)-1-[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propan-1-ol | CAS Registry Number: 142569-70-8
Synonyms: SureCN201921, 2-(2-(3(S)-(3-(2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)-3-hydroxypropyl)phenyl)-2-propanol, ANW-45479

Molecular Formula:	C₂₉H₂₈ClNO₂	Molecular Weight:	457.991120 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: ZSHIDKYITZZTLA-NDEPHWFRSA-N

• 1-(Mercaptomethyl)cyclopropyl acetic acid

IUPAC Name: 2-[1-(sulfanylmethyl)cyclopropyl]acetic acid | CAS Registry Number: 162515-68-6
Synonyms: 2-[1-(Mercaptomethyl)cyclopropyl]acetic acid, 1-(Mercaptomethyl)cyclopropaneacetic Acid, SBB053445, AG-E-12320, 1-(Mercaptomethyl)cyclopropaneaceticacid, 1-(Mercaptomethyl)-Cyclopropaneacetic Acid, 2-(1-(mercaptomethyl)cyclopropyl)acetic acid, 2-[(sulfanylmethyl)cyclopropyl]acetic acid, ACMC-209doh, UNII-1X00T93WYX, KSC174S2B, Jsp003256, CTK0H4920, MolPort-001-767-786, AMX10105, ANW-21999, AKOS006379354, AM84551, MCULE-2805511819, 1-(Mercaptomethyl)cyclopropylacetic acid

Molecular Formula:	C₆H₁₀O₂S	Molecular Weight:	146.207400 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: VFAXPOVKNPTBTM-UHFFFAOYSA-N

• 4,5,6,7-Tetrahydrothieno[3,2-c]PyridineHydrochloride

IUPAC Name: 4,5,6,7-tetrahydrothieno[3,2-c]pyridin-1-ium chloride | CAS Registry Number: 28783-41-7
Synonyms: EINECS 249-220-0, 4,5,6,7-Tetrahydrothieno(3,2-c)pyridinium chloride

Molecular Formula:	C₇H₁₀ClNS	Molecular Weight:	175.679000 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: QMXCTKPNQFJZGK-UHFFFAOYSA-N

• 2-Cyano-3-OH-N-(4-trifluoromethylphenyl) crotonamide

IUPAC Name: (2Z)-2-[hydroxy-[4-(trifluoromethyl)anilino]methylidene]-3-oxobutanenitrile | CAS Registry Number: 108605-62-5
Synonyms: Teriflunomide, Flucyamide, Teriflunomide [INN], Active metabolite of leflunomide, SU 20, C12H9F3N2O2, AIDS013145, AIDS-013145, HMR 1726, HMR-1726, A77 1726, RS 61980, SU-0020, A771726, LS-46899, RS-61980, A 771726, A-771726, 2-Cyano-3-hydroxy-N-(4-(trifluoromethyl)phenyl)-2-butenamide, C072876

Molecular Formula:	C₁₂H₉F₃N₂O₂	Molecular Weight:	270.207270 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	7

InChIKey: SVEAYFSEBQSZJU-KHPPLWFESA-N

• 1-(2,4-Difluoro Phenyl)-2-(1H-1,2,4-Triazole-1YL) Ethanone

IUPAC Name: 1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone | CAS Registry Number: 86404-63-9
Synonyms: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone, 2',4'-DIFLUORO-2-(1H-1,2,4-TRIAZOL-1-YL)ACETOPHENONE, 1-(2,4-DIFLUOROPHENYL)-2-(1H-1,2,4-TRIAZOL-1-YL)-ETHANONE, AG-H-48437, 2-(1H-1,2,4-Triazol-1-yl)-2',4'-difluoroacetophenone, 1-(2,4-Difluorobenzoylmethyl)-1H-1,2,4-triazole, F2158-0485, 2',4'-Difluoro-2-(1,2,4-triazole)-1-yl acetophenone, 2',4'-Difluoro-2-(1H-1,2,4-Triazolyl) acetophenone, Ethanone, 1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)-, ZINC04008794, PubChem7481, AC1LBS6W, SureCN76005, ACMC-209q9o, UNII-HXI8R9R915, MLS000681496, 636886_ALDRICH, CHEMBL2063495, MolPort-002-200-359

Molecular Formula:	C₁₀H₇F₂N₃O	Molecular Weight:	223.178886 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: XCHRPVARHBCFMJ-UHFFFAOYSA-N

• 2-(2,4-Difluoro Phenyl)-1-(1H-1,2,4-Triazole-1YL)-(2,3 Epoxy Propane Methane) Sulfonate

IUPAC Name: 2-[[2-(2,4-difluorophenyl)oxiran-2-yl]methyl]-1,3-dihydro-1,2,4-triazole;methanesulfonic acid | CAS Registry Number: 86386-77-8
Synonyms: CTK3E7788, AG-H-48321, A841628, 1-[2-(2,4-Difluorophenyl)-2,3-Epoxypropyl]-1H-1,2,4-Triazole Methanesulfonate;, 2-[[2-(2,4-difluorophenyl)-2-oxiranyl]methyl]-1,3-dihydro-1,2,4-triazole; methanesulfonic acid, 2-[[2-[2,4-bis(fluoranyl)phenyl]oxiran-2-yl]methyl]-1,3-dihydro-1,2,4-triazole; methanesulfonic acid

Molecular Formula:	C₁₂H₁₅F₂N₃O₄S	Molecular Weight:	335.327006 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	8

InChIKey: CUJRNWOTYDZZKL-UHFFFAOYSA-N

• 4,5,6,7-Tetrahydro-[3,2,-c]Thieno Pyridine

IUPAC Name: 4,5,6,7-tetrahydrothieno[3,2-c]pyridine | CAS Registry Number: 54903-50-3
Synonyms: EINECS 259-389-2, 4,5,6,7-Tetrahydrothieno[3,2-c]pyridine, AS0127, CID3085076, 4,5,6,7-Tetrahydrothieno(3,2-c)pyridine, TL8003594

Molecular Formula:	C₇H₉NS	Molecular Weight:	139.218060 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: OGUWOLDNYOTRBO-UHFFFAOYSA-N