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• Adrenal

IUPAC Name: 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol | CAS Registry Number: 51-43-4
Synonyms: epinephrine, l-Adrenaline, adrenaline, Adrenalin, Levoepinephrine, L-epinephrine, Adrenalinum, Epinephran, Epipen, l-Epirenamine, Antiasthmatique, Methylarterenol, Esphygmogenina, Hypernephrin, Isoptoepinal, Racepinephrine, Renostypticin, Sphygmogenin, Stryptirenal, Supracapsulin

Molecular Formula:	C₉H₁₃NO₃	Molecular Weight:	183.204420 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	4

InChIKey: UCTWMZQNUQWSLP-VIFPVBQESA-N

• Albendazole

IUPAC Name: methyl N-(6-propylsulfanyl-1H-benzimidazol-2-yl)carbamate | CAS Registry Number: 54965-21-8
Synonyms: albendazole, Valbazen, Albenza, Eskazole, Zentel, Proftril, Bilutac, Metiazol, Zental, Albendoral, Bendapar, Digezanol, Disthelm, Endoplus, Gascop, Lurdex, Prestwick_675, Albenza (TN), Mediamix V Disthelm, Disthelm, Mediamix V

Molecular Formula:	C₁₂H₁₅N₃O₂S	Molecular Weight:	265.331400 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: HXHWSAZORRCQMX-UHFFFAOYSA-N

• Alibendol

IUPAC Name: 2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-5-prop-2-enylbenzamide | CAS Registry Number: 26750-81-2
Synonyms: Alibendolum [INN-Latin], Ambap5414, Alibendol [DCF:INN], Alibendol [INN:DCF], FC 54, C13H17NO4, EINECS 247-960-9, CID71916, BRN 2735959, NCGC00164629-01, LS-25268, TL8002126, 5-Allyl-N-(2-hydroxyethyl)-3-methoxysalicylamide, Benzamide, 5-allyl-2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-, m-Anisamide, 5-allyl-2-hydroxy-N-(2-hydroxyethyl)-, Hydroxy-2 methoxy-3 allyl-5 N-(beta-hydroxy ethyl)benzamide [French], m-Anisamide, 5-allyl-2-hydroxy-N-(2-hydroxyethyl)- (8CI), Benzamide, 2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-5-(2-propenyl)-, Benzamide, 2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-5-(2-propenyl)- (9CI)

Molecular Formula:	C₁₃H₁₇NO₄	Molecular Weight:	251.278380 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: UMJHTFHIQDEGKB-UHFFFAOYSA-N

• Allopurinol

IUPAC Name: 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one | CAS Registry Number: 315-30-0
Synonyms: allopurinol, Zyloprim, Lopurin, Zyloric, Uripurinol, Atisuril, Bleminol, Embarin, Foligan, Milurit, Progout, Urosin, Anoprolin, Cellidrin, Epidropal, Suspendol, Alositol, Apulonga, Bloxanth, Caplenal

Molecular Formula:	C₅H₄N₄O	Molecular Weight:	136.111460 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: OFCNXPDARWKPPY-UHFFFAOYSA-N

• Allyl Bromide

IUPAC Name: 3-bromoprop-1-ene | CAS Registry Number: 106-95-6
Synonyms: Bromallylene, 3-Bromopropene, ALLYL BROMIDE, 3-Bromopropylene, 3-Bromo-1-propene, Propene, 3-bromo-, 1-Propene, 3-bromo-, 2-Propenyl bromide, 1-Bromo-2-propene, 3-bromoprop-1-ene, HSDB 622, A29585_ALDRICH, WLN: E2U1, 337528_ALDRICH, CCRIS 9049, NSC 7596, 05860_FLUKA, EINECS 203-446-6, NSC7596, UN1099

Molecular Formula:	C₃H₅Br	Molecular Weight:	120.975800 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: BHELZAPQIKSEDF-UHFFFAOYSA-N

• Amiloride

IUPAC Name: 3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide | CAS Registry Number: 2609-46-3
Synonyms: AMILORIDE, Amipramidin, Amipramizid, Guanamprazin, Amipramizide, Guanamprazine, Midamor, Amiclaran, Amyloride, Amiloride HCL, Amiclaran (TN), Amiloride (INN), Amiloridum [INN-Latin], Amilorida [INN-Spanish], Spectrum_000034, Tocris-0890, 1f5l, Amiloride [INN:BAN], C6H8ClN7O, Prestwick0_000007

Molecular Formula:	C₆H₈ClN₇O	Molecular Weight:	229.627020 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	7

InChIKey: XSDQTOBWRPYKKA-UHFFFAOYSA-N

• Amiodarone

IUPAC Name: (2-butyl-1-benzofuran-3-yl)-[4-(2-diethylaminoethyloxy)-3,5-diiodophenyl]methanone | CAS Registry Number: 1951-25-3
Synonyms: amiodarone, Amiodarona, Amjodaronum, Cordarone, Kordaron, Tachydaron, Amiobeta, Amiodarex, Amiohexal, Corbionax, Cordarex, Ortacrone, Rytmarone, Trangorex, Aratac, Braxan, Amiodarone Base, Amiodarone HCL, Amiodarone hydrochloride, nchembio.79-comp9

Molecular Formula:	C₂₅H₂₉I₂NO₃	Molecular Weight:	645.311600 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: IYIKLHRQXLHMJQ-UHFFFAOYSA-N

• Amisulpride

IUPAC Name: 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide | CAS Registry Number: 71675-85-9
Synonyms: amisulpride, Solian, Deniban, Aminosultopride, Amisulpiride, Socian, Amisulpride [INN], Deniban (TN), Amisulpride (INN), Solian (TN), Amisulpridum [INN-Latin], Amisulprida [INN-Spanish], MLS000758258, MLS000759450, MLS001424039, A2729_SIGMA, DAN 2163, C17H27N3O4S, EINECS 275-831-7, CID2159

Molecular Formula:	C₁₇H₂₇N₃O₄S	Molecular Weight:	369.478980 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: NTJOBXMMWNYJFB-UHFFFAOYSA-N

• Amoxapine

IUPAC Name: 8-chloro-6-piperazin-1-ylbenzo[b][1,5]benzoxazepine | CAS Registry Number: 14028-44-5
Synonyms: amoxapine, Asendin, Amoxepine, Demolox, Moxadil, Amoxan, Desmethylloxapin, Desmethylloxapine, Prestwick_503, Asendin (TN), Amoxapinum [INN-Latin], Amoxapina [INN-Spanish], Spectrum_000446, Lopac-A-129, Prestwick0_000102, Prestwick1_000102, Prestwick2_000102, Prestwick3_000102, Spectrum2_001245, Spectrum3_001067

Molecular Formula:	C₁₇H₁₆ClN₃O	Molecular Weight:	313.781440 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: QWGDMFLQWFTERH-UHFFFAOYSA-N

• Arsanilic Acid

IUPAC Name: (4-aminophenyl)arsonic acid | CAS Registry Number: 98-50-0
Synonyms: p-Arsanilic acid, Atoxylic acid, 4-Arsanilic acid, ARSANILIC ACID, o-Arsanilic acid, Antoxylic acid, Pro-Gen, Arsanilsaeure, R-Sonic, Progen 90, Aminophenylarsine acid, p-Anilinearsonic acid, Arsanilic acid-100, 4-Aminobenzenearsonic acid, Pro-Gen 227 premix, 4-Aminophenylarsonsaeure, (4-Aminophenyl)arsonic acid, p-Aminophenylarsonic acid, o-Aminobenzenearsonic acid, p-Aminobenzenearsonic acid

Molecular Formula:	C₆H₈AsNO₃	Molecular Weight:	217.054220 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: XKNKHVGWJDPIRJ-UHFFFAOYSA-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

• Azathioprine

IUPAC Name: 6-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine | CAS Registry Number: 446-86-6
Synonyms: azathioprine, Azothioprine, Azathioprin, Azatioprin, Imuran, Rorasul, Azamun, Azanin, Ccucol, Imurek, Imurel, Muran, Cytostatics, Immuran, Azasan, azatiopr in, Azamun [Czech], Azathioprine sodium, Imuran (TN), Prestwick_41

Molecular Formula:	C₉H₇N₇O₂S	Molecular Weight:	277.262580 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: LMEKQMALGUDUQG-UHFFFAOYSA-N

• Bambuterol

IUPAC Name: [3-[2-(tert-butylamino)-1-hydroxyethyl]-5-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate | CAS Registry Number: 81732-65-2
Synonyms: Bambec, Bambuterolum [Latin], Bambuterol (INN), Bambuterol [BAN:INN], BAMBUTEROL HYDROCHLORIDE, Prestwick0_000361, Prestwick1_000361, Prestwick2_000361, Prestwick3_000361, BSPBio_000481, MLS002153785, SPBio_002402, BPBio1_000531, BB_SC-5089, C18H29N3O5, KWD-2183, DB01408, NCGC00179546-01, LS-49501, SMR001233168

Molecular Formula:	C₁₈H₂₉N₃O₅	Molecular Weight:	367.439960 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: ANZXOIAKUNOVQU-UHFFFAOYSA-N

• Benidipine

IUPAC Name: 5-O-[(3R)-1-benzylpiperidin-3-yl] 3-O-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate | CAS Registry Number: 119065-60-0
Synonyms: 105979-17-7, Benidipene, Benidipine [INN], benidipine hydrochloride, Benidipine (INN), Coniel, Benidipinum [Latin], Benidipino [Spanish], Benidipino, Benidipinum, NCGC00185768-01, C28H31N3O6, AC1LCVDP, SCHEMBL24516, CHEMBL2105555, CHEMBL3303980, DTXSID0022648, CTK8E8626, (+-)-(R*)-3-((R*)-1-Benzyl-3-piperidyl) methyl 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate, ZINC21992076

Molecular Formula:	C₂₈H₃₁N₃O₆	Molecular Weight:	505.571 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: QZVNQOLPLYWLHQ-ZEQKJWHPSA-N

• Betamethasone Base

IUPAC Name: (8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one

Molecular Formula:	C₂₂H₂₉FO₅	Molecular Weight:	392.461063 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: UREBDLICKHMUKA-DVTGEIKXSA-N

• Bicalutamide

IUPAC Name: (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide | CAS Registry Number: 90357-06-5
Synonyms: bicalutamide, Casodex, (R)-Bicalutamide, R-BICALUTAMIDE, Bicalutamide [USAN:BAN:INN], CHEBI:3090, STOCK6S-47735, 1z95, CID56069, DB01128, DB02932, ICI 176334, BRN 5364666, NCGC00167487-01, (2R)-N-[4-CYANO-3-(TRIFLUOROMETHYL)PHENYL]-3-[(4-FLUOROPHENYL)SULFONYL]-2-HYDROXY-2-METHYLPROPANAMIDE, (+-)-4'-Cyano-alpha,alpha,alpha-trifluoro-3-((p-fluorophenyl)sulfonyl)-2-methyl-m-lactotoluidide, (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide, Propanamide, N-(4-cyano-3-(trifluoromethyl)phenyl)-3-((4-fluorophenyl)sulfonyl)-2-hydroxy-2-methyl-, (+-)-

Molecular Formula:	C₁₈H₁₄F₄N₂O₄S	Molecular Weight:	430.373373 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	9

InChIKey: LKJPYSCBVHEWIU-KRWDZBQOSA-N

• Bismuth oxide

IUPAC Name: dibismuth oxygen(2-) | CAS Registry Number: 1304-76-3
Synonyms: Bismuth tetroxide, Bismuth oxide (BiO2), EINECS 234-985-5, CID160977, 12048-50-9, 171869-78-6

Molecular Formula:	Bi₂O₃	Molecular Weight:	465.958960 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: TYIXMATWDRGMPF-UHFFFAOYSA-N

• BISMUTH SUBGALLATE

IUPAC Name: 2-hydroxy-7,9-dioxa-8$l^{2}-bismabicyclo[4.3.0]nona-1,3,5-triene-4-carboxylic acid hydrate | CAS Registry Number: 99-26-3
Synonyms: Dermatol, Dermatol puder, Wismutgallathydroxid, Bismuth subgallas, Bismutum subgallicum, Dermatol Ointment, Basic bismuth gallate, Dermatol (TN), Wismutgallat, basisches, Caswell No. 098B, basisches Wismutgallat, Gallic acid bismuth basic salt, C7H5BiO6, Bismuth Subgallate [USAN:JAN], 15102_FLUKA, Bismuth subgallate (JP15/USP), CHEBI:31292, EINECS 202-742-2, Bismuth(III) gallate basic hydrate, EPA Pesticide Chemical Code 098601

Molecular Formula:	C₇H₆BiO₆	Molecular Weight:	395.099320 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: XXCBNHDMGIZPQF-UHFFFAOYSA-L

• Bismuth Subnitrate

Synonyms: Mammol, Novismuth, Vikaline, Vicalin, Bismuth paint, Bismuth Synlab, Cosmetic White, Bismuth White, Spanish White, Flake White, Paint White, Blanc de fard, Bismuth magistery, Bismuthyl nitrate, Bismuth oxynitrate, Bismuth subnitricum, Snowcal 5SW, Snowcal 5 SW, Magistery of bismuth, Mammol (TN)

Molecular Formula:	BiH₂N₃O₉	Molecular Weight:	397.010960 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	9

InChIKey: HWSISDHAHRVNMT-UHFFFAOYSA-N

• Butenafine

IUPAC Name: 1-(4-tert-butylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine | CAS Registry Number: 101828-21-1
Synonyms: butenafine, Mentax, Butenafine [INN], Butenafine HCL, Butenafine (INN), Butenafine hydrochloride, Butenafinum [INN-Latin], Butenafina [INN-Spanish], Spectrum_001553, SpecPlus_000920, KBioSS_002033, DivK1c_007016, KBio1_001960, KBio2_002033, KBio2_004601, KBio2_007169, C23H27N, KP-363, AIDS008659, AIDS-008659

Molecular Formula:	C₂₃H₂₇N	Molecular Weight:	317.467180 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: ABJKWBDEJIDSJZ-UHFFFAOYSA-N

• Carvedilol

IUPAC Name: 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol | CAS Registry Number: 72956-09-3
Synonyms: carvedilol, Coreg, Dilatrend, Eucardic, Artist, Kredex, Querto, Coropres, Coropress, Dimitone, Dibloc, Carvedilolum [Latin], Coreg CR, Artist (TN), Coreg (TN), Spectrum_001665, carvedilol, (R)-isomer, carvedilol, (S)-isomer, carvedilol, 14C-labeled, Roche brand of carvedilol

Molecular Formula:	C₂₄H₂₆N₂O₄	Molecular Weight:	406.474240 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: OGHNVEJMJSYVRP-UHFFFAOYSA-N

• Chlorprothixene

IUPAC Name: (3E)-3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine | CAS Registry Number: 113-59-7
Synonyms: chlorprothixene, Chlorprothixen, Chlorprotixen, Chlorprotixene, Chlothixen, Truxaletten, Iaractan, Rentovet, Taractan, Traquilan, Vetacalm, Tarasan, Trictal, Truxal, Truxil, Paxyl, Chlorprothixine, Chlorprotixine, Clorprotisene, Clorprotixeno

Molecular Formula:	C₁₈H₁₈ClNS	Molecular Weight:	315.860220 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: WSPOMRSOLSGNFJ-VGOFMYFVSA-N

• Cilostazol

IUPAC Name: 6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one | CAS Registry Number: 73963-72-1
Synonyms: cilostazol, Pletal, Pletaal, Cilostazole, Pletal (TN), Cilostazolum [INN-Latin], Cilostazol [INN:JAN], Tocris-1692, Spectrum2_001118, Spectrum3_001170, Spectrum4_000772, Spectrum5_001762, Lopac-C-0737, OPC 21, Otsuka brand of cilostazol, Lopac0_000218, OPC-13013, BSPBio_002759, KBioGR_001184, Pharmacia brand of cilostazol

Molecular Formula:	C₂₀H₂₇N₅O₂	Molecular Weight:	369.460680 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: RRGUKTPIGVIEKM-UHFFFAOYSA-N

• Clenbuterol

IUPAC Name: 1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol | CAS Registry Number: 37148-27-9
Synonyms: clenbuterol, Planipart, Contraspasmin, Clenbuterol (INN), Contraspasmin (TN), Clenbuterolum [INN-Latin], Clenbuterol [BAN:INN], Planipart [veterinary], Spectrum_001564, Prestwick0_000345, Prestwick1_000345, Prestwick2_000345, Prestwick3_000345, Spectrum3_000975, Spectrum4_000743, Spectrum4_001099, Spectrum5_001497, BSPBio_000409, BSPBio_002609, KBioGR_001066

Molecular Formula:	C₁₂H₁₈Cl₂N₂O	Molecular Weight:	277.190120 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: STJMRWALKKWQGH-UHFFFAOYSA-N

• CLINDAMYCIN HCL (CAS: 21462-39-7)

• Clindamycin phosphate

IUPAC Name: [(2R,3R,4S,5R,6R)-6-[2-chloro-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]-4,5-dihydroxy-2-methylsulfanyloxan-3-yl] dihydrogen phosphate | CAS Registry Number: 24729-96-2
Synonyms: Cleocin, Evoclin, Dalacin-S, Cleocin (TN), Evoclin (TN), Dalacin-S (TN), Clindamycin phosphate (JP15/USP), C11728, D01073

Molecular Formula:	C₁₈H₃₄ClN₂O₈PS	Molecular Weight:	504.962921 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	9

InChIKey: UFUVLHLTWXBHGZ-KUWMELJBSA-N

• Clozapine

IUPAC Name: 3-chloro-6-(4-methylpiperazin-1-yl)-5H-benzo[c][1,5]benzodiazepine | CAS Registry Number: 5786-21-0
Synonyms: clozapine, Clozapin, Leponex, Fazaclo, Clorazil, Iprox, CLOZARIL, Asaleptin, Lepotex, Clozaril (TN), Prestwick_693, Ambap805, Clozapinum [INN-Latin], Clozapina [INN-Spanish], Spectrum_000139, Tocris-0444, Prestwick0_000350, Prestwick1_000350, Spectrum2_000919, Spectrum3_001828

Molecular Formula:	C₁₈H₁₉ClN₄	Molecular Weight:	326.823260 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: ZUXABONWMNSFBN-UHFFFAOYSA-N

• Coenzyme Q10

IUPAC Name: 2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione | CAS Registry Number: 303-98-0
Synonyms: ubidecarenone, Ubiquinone 50, ubiquinone-10, Justquinon, Neuquinon, Emitolon, Heartcin, Inokiten, Ubiquinone 10, Udekinon, Terekol, ubisemiquinone, Neuquinone, Luvacor, Adelir, Coenzyme Q, Ubiquinone, Armolipid, Mitocor, Ubiquinone Q10

Molecular Formula:	C₅₉H₉₀O₄	Molecular Weight:	863.343500 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: ACTIUHUUMQJHFO-UPTCCGCDSA-N

• Colistin Sulfate

IUPAC Name: N-[(2R)-4-amino-1-[[(2S,3R)-1-[[(2R)-4-amino-1-oxo-1-[[(1R,4S,7R,11R,14S,17S,20S)-4,14,17-tris(2-aminoethyl)-20-(1-hydroxyethyl)-7-(2-methylpropyl)-2,5,8,12,15,18,21-heptaoxo-11-propan-2-yl-3,6,9,13,16,19,22-heptazacyclotetracos-1-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methylheptanamide; sulfuric acid | CAS Registry Number: 1264-72-8
Synonyms: Colistin sulfate, Prestwick_787

Molecular Formula:	C₅₂H₁₀₂N₁₆O₂₁S₂	Molecular Weight:	1351.590880 [g/mol]
H-Bond Donor:	22	H-Bond Acceptor:	26

InChIKey: ARRQDUSJNPQOGL-NTVPLWSUSA-N

• Crotamiton

IUPAC Name: (E)-N-ethyl-N-(2-methylphenyl)but-2-enamide | CAS Registry Number: 483-63-6
Synonyms: crotamiton, Eurax, Crotamitone, Crotalgin, Veteusan, Eurasil, Euraxil, Crotan, Caswell No. 431B, Eurax (TN), N-Ethyl-o-crotonotoluidide, Crotamitonum [INN-Latin], Prestwick2_000951, Prestwick3_000951, Crotonyl-N-ethyl-o-toluidine, BSPBio_000942, BSPBio_002722, Crotamiton (JAN/USP/INN), Crotamiton [BAN:INN:JAN], Crotamiton [INN:BAN:JAN]

Molecular Formula:	C₁₃H₁₇NO	Molecular Weight:	203.280180 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: DNTGGZPQPQTDQF-XBXARRHUSA-N

• Cyproterone acetate

Synonyms: Androcur, CYPROTERONE ACETATE, Cyproteron acetate, Cyproteron-R acetate, Cyproteroneacetate, Cyprosterone acetate, Cyproterone 17-O-acetate, Cyproterone 17alpha-acetate, Cyproterone 17.alpha.-acetate, CCRIS 4385, Lopac0_000301, SH 714, C24H29ClO4, Cyproterone acetate [USAN:JAN], HSDB 3592, MLS000859908, MLS001055462, MLS001066353, C3412_SIGMA, NSC81430

Molecular Formula:	C₂₄H₂₉ClO₄	Molecular Weight:	416.937660 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: UWFYSQMTEOIJJG-FDTZYFLXSA-N

• Cyromazine

IUPAC Name: 2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine | CAS Registry Number: 66215-27-8
Synonyms: Larvadex, Vetrazin, Trigard, CYROMAZINE, Azimethiphos, Cyclopropylmelamine, Cypromazine, Vetrazine, Neporex, Citation, Armor, Larvadex Premix, Cyromazin, N-cyclopropylmelamine, Vetrazin (pesticide), Cyromazine (INN), Neporex (TN), Caswell No. 167B, Cyromazine [BAN:INN], Cyromazinum [INN-Latin]

Molecular Formula:	C₆H₁₀N₆	Molecular Weight:	166.183800 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: LVQDKIWDGQRHTE-UHFFFAOYSA-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

• Dacarbazine

IUPAC Name: (5Z)-5-(dimethylaminohydrazinylidene)imidazole-4-carboxamide | CAS Registry Number: 4342-03-4
Synonyms: dacarbazine, Deticene, Biocarbazine, Decarbazine, DTIC-Dome, Biocarbazine R, Imidazole carboxamide, DTIC, ICDT, DTICDome, DTIE, ICDMT, DTIC Dome, Spectrum_000884, Prestwick0_000574, Prestwick1_000574, Prestwick2_000574, Prestwick3_000574, Spectrum2_001148, Spectrum3_000366

Molecular Formula:	C₆H₁₀N₆O	Molecular Weight:	182.183200 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: OMJKFYKNWZZKTK-POHAHGRESA-N

• dexamethasone base (CAS: 1950-02-2)

• Diclazuril

IUPAC Name: 2-(4-chlorophenyl)-2-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetonitrile | CAS Registry Number: 101831-37-2
Synonyms: DICLAZURIL, Diclazuril (USAN/INN), 34057_RIEDEL, AIDS008313, AIDS-008313, CID456389, NCGC00168785-01, D03794, 2,6-Dichloro-.alpha.-(4-chlorophenyl)-4-(4,5- dihydro-3,5-dioxo-1,2,4-triazin-2(3H)- yl)benzeneacetonitrile, 2,6-Dichloro-alpha-(4-chlorophenyl)-4-[4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl]benzeneacetonitrile

Molecular Formula:	C₁₇H₉Cl₃N₄O₂	Molecular Weight:	407.637960 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: ZSZFUDFOPOMEET-UHFFFAOYSA-N

• Dimecrotic acid

IUPAC Name: (E)-3-(2,4-dimethoxyphenyl)but-2-enoic acid | CAS Registry Number: 7706-67-4
Synonyms: Dimecrotic acid [INN:DCF], 2,4-Dimethoxy-beta-methylcinnamic acid., dCF, MI

Molecular Formula:	C₁₂H₁₄O₄	Molecular Weight:	222.237160 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: VNLOISSPTMDCIF-SOFGYWHQSA-N

• Dimethyl biphenyl-4,4'-dicarboxylate

IUPAC Name: methyl 4-(4-methoxycarbonylphenyl)benzoate | CAS Registry Number: 792-74-5
Synonyms: Maybridge1_001712, MLS000720058, 437905_ALDRICH, HSDB 5754, EINECS 212-341-4, SBB005981, ZINC00132343, 4,4'-Biphenyldicarboxylic acid, dimethyl ester, SMR000304587, DIMETHYL 4,4'-BIPHENYLDICARBOXYLATE, Dimethyl (1,1'-biphenyl)-4,4'-dicarboxylate, dimethyl [1,1'-biphenyl]-4,4'-dicarboxylate, [1,1'-Biphenyl]-4,4'-dicarboxylic acid, dimethyl ester, SR-01000397421-2, 4-(4-methoxycarbonyl-phenyl)-benzoic acid methyl ester, (1,1'-Biphenyl)-4,4'-dicarboxylic acid, dimethyl ester, 156326-47-5

Molecular Formula:	C₁₆H₁₄O₄	Molecular Weight:	270.279960 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: BKRIRZXWWALTPU-UHFFFAOYSA-N

• Diphylline

IUPAC Name: 7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione | CAS Registry Number: 479-18-5
Synonyms: dyphylline, Diprophylline, Diphyllin, Diprofilline, Diprophyllin, Dipropylline, Diprofillin, Lufyllin, Aristophyllin, Neostenovasan, Neutrafillina, Neutraphyllin, Neutraphylline, Neutroxantina, Protheophylline, Silbephylline, Synthophylline, Asthmolysin, Astrophyllin, Glyphylline

Molecular Formula:	C₁₀H₁₄N₄O₄	Molecular Weight:	254.242560 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: KSCFJBIXMNOVSH-UHFFFAOYSA-N

• Doxazosin mesylate

IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-2-yl)methanone; methanesulfonic acid | CAS Registry Number: 77883-43-3
Synonyms: Cardura, Cardenalin, Progandol, Tensiobas, Cardular, Carduran, Dedralen, Doxazomerck, Prostadilat, Tonocardin, Cardoral, Cardoxan, Diblocin, Doxolbran, Kaltensif, Normathen, Supressin, Alfadil, Doksura, Doxaben

Molecular Formula:	C₂₄H₂₉N₅O₈S	Molecular Weight:	547.580760 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	12

InChIKey: VJECBOKJABCYMF-UHFFFAOYSA-N

• Enalapril Maleate

IUPAC Name: (Z)-but-2-enedioic acid; (2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid | CAS Registry Number: 76095-16-4
Synonyms: Enalapril maleate, Renivace, Vasotec, Benalapril, Baripril, Crinoren, Innovace, Naprilene, Dabonal, Enapren, Renitec, Xanef, enalapril, Benalipril, Controlvas, Acetensil, Biocronil, Converten, Convertin, Coprilor

Molecular Formula:	C₂₄H₃₂N₂O₉	Molecular Weight:	492.518880 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	10

InChIKey: OYFJQPXVCSSHAI-QFPUQLAESA-N

• Epalrestat

IUPAC Name: 2-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid | CAS Registry Number: 82159-09-9
Synonyms: epalrestat, Kinedak, Epalrestat [INN], Epalrestatum [Latin], Kinedak (TN), Epalrestat (JAN/INN), Ono 2235, Ono-2235, ONO 2, ONO-2, MLS000806985, C15H13NO3S2, SBB015450, NCGC00164613-01, SMR000414799, LS-151103, D01688, 3-carboxymethyl-5-(methyl-3-phenylpropenylidene)rhodanine, 5-((Z,E)-beta-Methylcinnamylidene)-4-oxo-2-thioxo-3-thiazolidineacetic acid, 3-Thiazolidineacetic acid, 5-(2-methyl-3-phenyl-2-propenylidene)-4-oxo-2-thioxo-, (E,E)-

Molecular Formula:	C₁₅H₁₃NO₃S₂	Molecular Weight:	319.398620 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: CHNUOJQWGUIOLD-NFZZJPOKSA-N

• Epinephrine Bitartrate

IUPAC Name: (2R,3R)-2,3-dihydroxybutanedioic acid; 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol | CAS Registry Number: 51-42-3
Synonyms: Asmatane Mist, Medihaler-Epi, Asthmahaler, Suprarenin, Epitrate, Bronitin Mist, Sensorcaine, Duranest, Citanest Forte, Mixture Name, E-Pilo, Epinephrine bitartrate, Adrenaline bitartrate, L-Adrenaline tartrate, l-Epinephrine tartrate, l-Adrenaline bitartrate, Adrenaline acid tartrate, Epinephrine d-bitartrate, l-Epinephrine bitartrate, Asmatane mist (TN)

Molecular Formula:	C₁₃H₁₉NO₉	Molecular Weight:	333.291260 [g/mol]
H-Bond Donor:	8	H-Bond Acceptor:	10

InChIKey: YLXIPWWIOISBDD-NDAAPVSOSA-N

• Erdosteine

IUPAC Name: 2-[2-oxo-2-[(2-oxothiolan-3-yl)amino]ethyl]sulfanylacetic acid | CAS Registry Number: 84611-23-4
Synonyms: Vectrine, Edirel, Dithiosteine, Esteclin, Dostein, Erdotin, Mucotec, Tussol, Erdosteine [INN], Erdosteinum [Latin], Erdosteine (INN), Mucotec (TN), Zambon brand of erdosteine, Lakeside brand of erdosteine, RV 144, RV-144, C8H11NO4S2, Pharma 2000 brand of erdosteine, PV 144, Glaxo Wellcome brand of erdosteine

Molecular Formula:	C₈H₁₁NO₄S₂	Molecular Weight:	249.307240 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: QGFORSXNKQLDNO-UHFFFAOYSA-N

• Estradiol

IUPAC Name: (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol | CAS Registry Number: 50-28-2
Synonyms: estradiol, beta-Estradiol, 17beta-Estradiol, Estrace, progynon, Dihydroxyestrin, Oestradiol, Diogynets, Aquadiol, Dihydrofolliculin, Divigel, Vagifem, Diogyn, Dihydrotheelin, Oestroglandol, Dimenformon, Estraldine, Follicyclin, Gynoestryl, Perlatanol

Molecular Formula:	C₁₈H₂₄O₂	Molecular Weight:	272.381960 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: VOXZDWNPVJITMN-ZBRFXRBCSA-N

• Estradiol benzoate

IUPAC Name: [(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate | CAS Registry Number: 50-50-0
Synonyms: estradiol benzoate, Benzhormovarine, Benzoestrofol, Diffollisterol, Difolliculine, Benovocylin, Benzofoline, Femestrone, Follicormon, Gynecormone, Gynformone, Hidroestron, Hormogynon, Unistradiol, Follidrin, Graafina, Solestro, De graafina, Benzo-Gynoestryl, Ovasterol-B

Molecular Formula:	C₂₅H₂₈O₃	Molecular Weight:	376.488020 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: UYIFTLBWAOGQBI-BZDYCCQFSA-N

• Estrone

IUPAC Name: (8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one | CAS Registry Number: 53-16-7
Synonyms: estrone, folliculin, Theelin, Cristallovar, Crinovaryl, Aquacrine, Crystogen, Destrone, estrovarin, Endofolliculina, Disynformon, Estrugenone, Follestrine, Folliculine, Follicunodis, Glandubolin, Hormofollin, Hormovarine, Ketodestrin, Oestroperos

Molecular Formula:	C₁₈H₂₂O₂	Molecular Weight:	270.366080 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: DNXHEGUUPJUMQT-CBZIJGRNSA-N

• ETHYL-3-AMINOCROTONATE

IUPAC Name: ethyl (Z)-2-aminobut-2-enoate | CAS Registry Number: 3222-57-9
Synonyms: Ethyl 2-Amino Butyrate, SCHEMBL3357035, 2-amino-2-butenoic acid ethylester, AKOS006327339, ACM3222579

Molecular Formula:	C₆H₁₁NO₂	Molecular Weight:	129.159 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: KAOHYMHKNXJUFY-HYXAFXHYSA-N

• Etoposide

IUPAC Name: (5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5-(4-hydroxy-3,5-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one | CAS Registry Number: 33419-42-0
Synonyms: etoposide, VePesid, Lastet, trans-Etoposide, Zuyeyidal, Toposar, (-)-Etoposide, Vepesid J, Vepeside, Eposide, Etopol, Etosid, Etoposide (VP16), Etoposidum [INN-Latin], EPEG, Etoposido [INN-Spanish], VP 16 (pharmaceutical), Ambap1061, Etopophos (phosphate salt), VePESID (TN)

Molecular Formula:	C₂₉H₃₂O₁₃	Molecular Weight:	588.556580 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	13

InChIKey: VJJPUSNTGOMMGY-MRVIYFEKSA-N

• Famciclovir

IUPAC Name: [2-(acetyloxymethyl)-4-(2-aminopurin-9-yl)butyl] acetate | CAS Registry Number: 104227-87-4
Synonyms: famciclovir, Famvir, Oravir, Famvir (TN), Spectrum_000466, Famciclovirum [INN-Latin], Anti-Farnesyl Rabbit pAb, Spectrum2_001101, Spectrum3_001675, Spectrum4_000611, Spectrum5_001548, Famciclovir [USAN:BAN:INN], BSPBio_003489, KBioGR_001162, KBioSS_000946, MLS000759505, MLS001424115, SPECTRUM1505201, SPBio_001202, BRL 42810

Molecular Formula:	C₁₄H₁₉N₅O₄	Molecular Weight:	321.331760 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	9

InChIKey: GGXKWVWZWMLJEH-UHFFFAOYSA-N