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1 [2]

• Methanol, Sodium Salt

IUPAC Name: sodium methanolate | CAS Registry Number: 124-41-4
Synonyms: Sodium methylate, Methoxysodium, Sodium methanolate, Feldalat NM, SODIUM METHOXIDE, Methanol, sodium salt, RNTqhDwHL@, Metilato sodico [Spanish], Sodium methoxide solution, Methylate de sodium [French], HSDB 755, EINECS 204-699-5, UN1289, UN1431, 156256_SIAL, 164992_SIAL, 403067_SIAL, AI3-52659, LS-91053, TL8000640

Molecular Formula:	CH₃NaO	Molecular Weight:	54.023690 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: WQDUMFSSJAZKTM-UHFFFAOYSA-N

• Methyl Salicylate

IUPAC Name: methyl 2-hydroxybenzoate | CAS Registry Number: 119-36-8
Synonyms: methyl salicylate, Wintergreen oil, Gaultheriaoel, Wintergruenoel, Flucarmit, Analgit, Exagien, Betula, Gaultheria oil, Teaberry oil, Betula oil, Spicewood Oil, Betula Lenta, Sweet birch oil, Panalgesic, Theragesic, methylsalicylate, Heet, Birch oil, sweet, Birch oil

Molecular Formula:	C₈H₈O₃	Molecular Weight:	152.147320 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: OSWPMRLSEDHDFF-UHFFFAOYSA-N

• Methylcobalamine

IUPAC Name: carbanide; cobalt(3+); [(2S,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl phosphate | CAS Registry Number: 13422-55-4
Synonyms: Adestolmin, Mecobalamin, Adestolmin (TN), Mecobalamin (JP15/USAN), D03246

Molecular Formula:	C₆₃H₉₁CoN₁₃O₁₄P	Molecular Weight:	1344.382301 [g/mol]
H-Bond Donor:	9	H-Bond Acceptor:	21

InChIKey: ZFLASALABLFSNM-LEYWJKRPSA-L

• Methylsulphonyl Methane

IUPAC Name: methylsulfonylmethane | CAS Registry Number: 67-71-0
Synonyms: Dimethyl sulfone, Methyl sulfone, Sulfonylbismethane, Methane, sulfonylbis-, Dimethyl sulphone, Methylsulfonylmethane, sulfonyldimethane, Sulphonylbismethane, DIMETHYLSULFONE, Methylsulfonyl methane, methyl sulfonmethane, methylsulfonyl-methane, Ambap7494, Methyl sulfone (8CI), MolMap_000019, CCRIS 2938, C2H6O2S, M81705_ALDRICH, SPECTRUM1505358, CID6213

Molecular Formula:	C₂H₆O₂S	Molecular Weight:	94.132840 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: HHVIBTZHLRERCL-UHFFFAOYSA-N

• N-BENZOYL-5'-O-[BIS(4-METHOXYPHENYL)BENZYL]-2'-O-[(TERT-BUTYL)DIMETHYLSILYL]-3'-[2-CYANOETHYL BIS(1-METHYLETHYL)PHOSPHORAMIDITE] ADENOSINE

IUPAC Name: N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]purin-6-yl]benzamide | CAS Registry Number: 104992-55-4
Synonyms: (2R,3R,4R,5R)-5-(6-Benzamido-9H-purin-9-yl)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-((tert-butyldimethylsilyl)oxy)tetrahydrofuran-3-yl (2-cyanoethyl) diisopropylphosphoramidite, Bz-rA Phosphoramidite, CTK8B4330, ANW-44702, AKOS015999120, AK-54669

Molecular Formula:	C₅₃H₆₆N₇O₈PSi	Molecular Weight:	988.192502 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	13

InChIKey: FFXHNCNNHASXCT-RFMFGJHUSA-N

• Ofloxacin

Synonyms: ofloxacin, Floxin, Ocuflox, Tarivid, Ofloxacine, Oflocet, Oxaldin, Visiren, Exocin, Exocine, Zanocin, Floxin otic, Ofloxacin Otic, Ofloxacina [DCIT], Ofloxacine [French], Ofloxacinum [Latin], DEXTROFLOXACINE, OFLX, Ofloxacino [Spanish], Floxin (TN)

Molecular Formula:	C₁₈H₂₀FN₃O₄	Molecular Weight:	361.367503 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: GSDSWSVVBLHKDQ-UHFFFAOYSA-N

• Oxaliplatin

IUPAC Name: (1R,2R)-cyclohexane-1,2-diamine; oxalate; platinum(2+) | CAS Registry Number: 61825-94-3
Synonyms: oxaliplatin, oxalate, Oxalatoplatin, Oxalatoplatinum, Eloxatin, Eloxatin (TN), platinum(+2) cation, Oxaliplatinum [Latin], Oxaloplatine [French], Oxaliplatino [Spanish], Oxaloplatino [Spanish], Oxaliplatin (JAN/USAN/INN), Oxaliplatin [USAN:INN:BAN], (1R,2R)-cyclohexane-1,2-diamine, DB00526, D01790

Molecular Formula:	C₈H₁₄N₂O₄Pt	Molecular Weight:	397.285760 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: ZROHGHOFXNOHSO-BNTLRKBRSA-L

• Oxaprozin

IUPAC Name: 3-[4,5-di(phenyl)-1,3-oxazol-2-yl]propanoic acid | CAS Registry Number: 21256-18-8
Synonyms: oxaprozin, Daypro, Alvo, Deflam, Voir, Duraprox, Actirin, Xopane, Daypro (TN), Oxaprozine [INN-French], Oxaprozinum [INN-Latin], Oxaprozina [INN-Spanish], Maybridge1_008800, Prestwick0_001060, Prestwick1_001060, Prestwick2_001060, Prestwick3_001060, Spectrum2_001696, Spectrum3_001078, Spectrum4_001231

Molecular Formula:	C₁₈H₁₅NO₃	Molecular Weight:	293.316600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: OFPXSFXSNFPTHF-UHFFFAOYSA-N

• Oxytetracycline Dihydrate

IUPAC Name: (2Z,4S,4aR,5S,5aR,6S,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione dihydrate | CAS Registry Number: 6153-64-6
Synonyms: oxytetracycline, Terramycin, Oxytetracycline dihydrate, Terramycin (TN), Prestwick_630, Oxytetracyclini dihydras, OXTC, Hydroxytetrazyklindihydrat, Oxytetracyclinium dihydricum, CCRIS 9079, 79-57-2 (Parent), Oxytetracycline (JAN/USP/INN), C22H24N2O9, Oxytetracycline [USAN:INN:BAN:JAN], CID5282371, NCGC00091268-03, Oxytetracycline, disodium salt, dihydrate, LS-176184, D00205, 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, (4S-(4alpha,4aalpha,5alpha,5aalpha,6beta,12aalpha))-, dihydrate

Molecular Formula:	C₂₂H₂₈N₂O₁₁	Molecular Weight:	496.464520 [g/mol]
H-Bond Donor:	9	H-Bond Acceptor:	13

InChIKey: QRTMTZAUGTXZOA-ZGYDFYMOSA-N

• Oxytetracycline Hydrochloride

Molecular Formula:	C₂₂H₂₅ClN₂O₉	Molecular Weight:	496.894900 [g/mol]
H-Bond Donor:	8	H-Bond Acceptor:	11

InChIKey: IZRXCFCWDMSBQY-NXURVHCDSA-N

• Penicillin G Potassium

IUPAC Name: potassium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate | CAS Registry Number: 113-98-4
Synonyms: Pfizerpen, penicillin g, Penicillin G K, Penicillin G potassium, Pfizerpen (TN), Benzylpenicillin potassium, PENK_SIAL, Penicillin G potassium salt, benzylpenicilline potassique, Benzylpenicillin potassium salt, MLS000069426, MLS001076462, P7794_SIGMA, SPECTRUM1500465, Penicillin G potassium (USP), 46609_RIEDEL, CHEBI:7963, P8721_SIAL, Potassium salt of benzylpenicillin, Benzylpenicillin potassium (JP15)

Molecular Formula:	C₁₆H₁₇KN₂O₄S	Molecular Weight:	372.480480 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: IYNDLOXRXUOGIU-LQDWTQKMSA-M

• Phentolamine Mesylate

IUPAC Name: 3-[N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylanilino]phenol; methanesulfonic acid | CAS Registry Number: 65-28-1
Synonyms: Regitine, Phentolamine mesylate, phentolamine mesilate, Regitine mesylate, Regitin, Vasofem, Vasomax, OraVerse, Regitine (TN), Z-Max, Regitin methanesulphonate, Regitine methanesulfonate, Phentolamine methanesulfonate, Lopac-P-7561, Phentolamine methanesulphonate, Phentolamine mesylate [USAN], Phentolamine mesylate (USP), MLS000069487, MLS001076484, P7561_SIGMA

Molecular Formula:	C₁₈H₂₃N₃O₄S	Molecular Weight:	377.457920 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	7

InChIKey: OGIYDFVHFQEFKQ-UHFFFAOYSA-N

• POLYOXIN

IUPAC Name: N-[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-4-amino-1-oxo-1-[[(6R,9S,12R,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-3-[(1R)-1-hydroxyethyl]-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-5-methylheptanamide | CAS Registry Number: 1066-17-7
Synonyms: colistin, Colisticina, Colistinum, Kolimitsin, Colimycin, Colistina, Colistine, Colomycin, Kangdisu, Totazina, Colymysin S, Polymyxin E, Coly-Mycin, Colistine [INN-French], Colistinum [INN-Latin], Colistina [INN-Spanish], UNII-Z67X93HJG1, HSDB 3045, EINECS 213-907-3, 12643-15-1

Molecular Formula:	C₅₂H₉₈N₁₆O₁₃	Molecular Weight:	1155.433920 [g/mol]
H-Bond Donor:	18	H-Bond Acceptor:	18

InChIKey: YKQOSKADJPQZHB-RGYSVOEGSA-N

• Potassium clavulanate

IUPAC Name: potassium (2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate | CAS Registry Number: 61177-45-5
Synonyms: Augmentin, Timentin, Amonate, Mixture Name, CLAVULANATE POTASSIUM, Ambap4025, C8H8NO5.K, P3494_SIGMA, 33454_RIEDEL, BRL 14151K, Clavulanate potassium [USAN:JAN], EINECS 262-640-9, Clavulanate potassium (JP15/USP), Clavulanic Acid, Monopotassium Salt, DRG-0225, LS-98546, TL8003882, D02370, 4-Oxa-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3-(2-hydroxyethylidene)-7-oxo-, monopotassium salt, (2R-(2alpha,3Z,5alpha))-, Potassium (2R-(2alpha,3Z,5alpha))-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo(3.2.0)heptane-2-carboxylate

Molecular Formula:	C₈H₈KNO₅	Molecular Weight:	237.251120 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: ABVRVIZBZKUTMK-JSYANWSFSA-M

• Potassium DL-Aspartate

IUPAC Name: potassium;2-aminobutanedioate | CAS Registry Number: 14434-35-6
Synonyms: DL-Aspartic acid, potassium salt, EINECS 238-407-2, FT-0625443

Molecular Formula:	C₄H₅KNO₄-	Molecular Weight:	170.185100 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: TXXVQZSTAVIHFD-UHFFFAOYSA-L

• POTASSIUM MONOXIDE

IUPAC Name: dipotassium hydroxide | CAS Registry Number: 12136-45-7
Synonyms: Dipotassium oxide, Potash, POTASSIUM OXIDE, Dipotassium monoxide, Dipotassium hydroxide, Potassium oxide (KO), Dipotassium monohydroxide, Potassium oxide (K2O), CID25520, EINECS 235-227-6, UN2033, Potassium monoxide [UN2033] [Corrosive], 12401-70-6, 1343-95-9, 37382-43-7, K2O

Molecular Formula:	HK₂O+	Molecular Weight:	95.203940 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: FZFYOUJTOSBFPQ-UHFFFAOYSA-M

• Potassium Oleate

IUPAC Name: potassium (Z)-octadec-9-enoate | CAS Registry Number: 143-18-0
Synonyms: Potassium oleate, Trenamine D-200, Trenamine D-201, Caswell No. 698B, Potassium 9-octadecenoate, Oleic acid, potassium salt, Potassium cis-9-octadecenoate, HSDB 5643, potassium 9-(Z)-octadecenoate, Potassium 9-octadecenoate, (Z)-, 9-Octadecenoic acid, potassium salt, EINECS 205-590-5, LS-94, EPA Pesticide Chemical Code 079095, 9-Octadecenoic acid (9Z)-, potassium salt, POTASSIUM CIS-9-OCTADECENOIC ACID, 9-Octadecenoic acid (Z)-, potassium salt

Molecular Formula:	C₁₈H₃₃KO₂	Molecular Weight:	320.551720 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: MLICVSDCCDDWMD-KVVVOXFISA-M

• Pregnenolone

IUPAC Name: 1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone | CAS Registry Number: 145-13-1
Synonyms: pregnenolone, Arthenolone, Skinostelon, Pregnetan, Pregneton, Pregnolon, Regnosone, Prenolon, Enelone, Pregneninolone, Natolone, Bina-Skin, delta5-Pregnenolone, 5-Pregnenolone, Prestwick_859, 5-Pregnen-3beta-ol-20-one, 3beta-Hydroxypregn-5-en-20-one, Pregnenolonum [INN-Latin], Pregnenolona [INN-Spanish], Prestwick0_000546

Molecular Formula:	C₂₁H₃₂O₂	Molecular Weight:	316.477580 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: ORNBQBCIOKFOEO-QGVNFLHTSA-N

• Primidone

IUPAC Name: 5-ethyl-5-phenyl-1,3-diazinane-4,6-dione | CAS Registry Number: 125-33-7
Synonyms: primidone, Primaclone, Mysoline, Mylepsinum, Misodine, Mizodin, Sertan, Hexadiona, Hexamidine, Lepimidin, Liskantin, Prilepsin, Primakton, Primoline, Prysoline, Lepsiral, Majsolin, Milepsin, Misolyne, Mylepsin

Molecular Formula:	C₁₂H₁₄N₂O₂	Molecular Weight:	218.251760 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: DQMZLTXERSFNPB-UHFFFAOYSA-N

• Pyrithioxine

IUPAC Name: 5-[[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyldisulfanylmethyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol | CAS Registry Number: 1098-97-1
Synonyms: Pyrithioxin, Encefabol, Bonifen, Epocan, Bonol, Biocefalin, Pyritioxine, Piritinol, PYRITINOL, Pyridoxine disulfide, Dipyridoxolyldisulfide, Vitamin B6 disulfide, Piritinolo [DCIT], Pyridoxine-5-disulfide, Pyritinol (INN), Pyrithioxine (JAN), Piritinol [INN-Spanish], Pyritinolum [INN-Latin], Pyritinol [BAN:DCF:INN], Pyritinol [INN:BAN:DCF]

Molecular Formula:	C₁₆H₂₀N₂O₄S₂	Molecular Weight:	368.471000 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	6

InChIKey: SIXLXDIJGIWWFU-UHFFFAOYSA-N

• Pyruvic Acid, Sodium salt

IUPAC Name: sodium 2-oxopropanoate | CAS Registry Number: 113-24-6
Synonyms: Natriumpyruvat, Pyruvate Sodium, SODIUM PYRUVATE, Pyruvic acid, sodium salt, sodium 2-oxopropanoate, Sodium pyruvate solution, Pyruvic acid sodium salt, Sodium alpha-ketopropionate, 2-Oxopropanoic acid sodium salt, P3662_SIGMA, P4562_SIGMA, P5280_SIGMA, S8636_SIGMA, P2256_SIAL, P8574_SIAL, alpha-Ketopropionic acid sodium salt, CHEBI:50144, Propanoic acid, 2-oxo-, sodium salt, EINECS 204-024-4, Pyruvic acid, sodium salt (7CI,8CI)

Molecular Formula:	C₃H₃NaO₃	Molecular Weight:	110.043890 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: DAEPDZWVDSPTHF-UHFFFAOYSA-M

• Quetiapine Fumarate

IUPAC Name: 2-[2-(4-benzo[b][1,5]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol; 2-[2-(4-benzo[b][1,5]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol; (E)-but-2-enedioic acid | CAS Registry Number: 111974-72-2
Synonyms: Seroquel, quetiapine, Quetiapine fumarate, Seroquel XR, Seroquel (TN), Ambap1222, Quetiapine fumarate [USAN], Quetiapine fumarate (JAN/USAN), ZD5077, 2C21H25N3O2S.C4H4O4, ICI-204636, ICI 204,636, LS-66641, ZM 204636, ZM 204,636, D00458, 2-(2-(4-Dibenzo(b,f)(1,4)thiazepine-11-yl-1-piperazinyl)ethoxy)ethanol, 2-(2-(4-Dibenzo(b,f)(1,4)thiazepin-11-yl-1-piperazinyl)ethoxy)ethanol fumarate (2:1) (salt), 2-[2-(4-dibenzo [b,f ] [1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]-ethanol fumarate (2:1) (salt), Ethanol, 2-(2-(4-dibenzo(b,f)(1,4)thiazepin-11-yl-1-piperazinyl)ethoxy)-, (E)-2-butenedioate (2:1) (salt)

Molecular Formula:	C₄₆H₅₄N₆O₈S₂	Molecular Weight:	883.086360 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	14

InChIKey: ZTHJULTYCAQOIJ-WXXKFALUSA-N

• Quetiapine Hemifumarate

IUPAC Name: 2-[2-(4-benzo[b][1,5]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol | CAS Registry Number: 111974-69-7
Synonyms: quetiapine, Seroquel, Seroquel (Fumarate), Quetiapine [INN:BAN], MLS001165710, MLS001195658, SPECTRUM1505187, CID5002, CHEBI:8707, STOCK6S-53310, C21H25N3O2S, AIDS085406, AIDS-085406, ZD5077, DB01224, KS-1099, ICI 204,636, NCGC00095911-01, NCGC00095911-03, NCGC00095911-04

Molecular Formula:	C₂₁H₂₅N₃O₂S	Molecular Weight:	383.507100 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: URKOMYMAXPYINW-UHFFFAOYSA-N

• Succinic Acid

IUPAC Name: butanedioic acid | CAS Registry Number: 110-15-6
Synonyms: succinic acid, butanedioic acid, Asuccin, Bernsteinsaure, Amber acid, succinate, Katasuccin, Wormwood, Wormwood acid, ethylenesuccinic acid, Butandisaeure, Dihydrofumaric acid, succ, Acidum succinicum, Butanedionic acid, Spirit of amber, Bernsteinsaeure, Succinellite, Ammonium succinate, acide succinique

Molecular Formula:	C₄H₆O₄	Molecular Weight:	118.088040 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: KDYFGRWQOYBRFD-UHFFFAOYSA-N

• Sulbactam Sodium

IUPAC Name: sodium 3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate | CAS Registry Number: 69388-84-7
Synonyms: Unasyn, Sodium sulbactam, Sulbactam natrium, Mixture Name, SULBACTAM SODIUM, Sulbactam sodium salt, CP 45899 sodium salt, Sodium 1,1-dioxopenicillanate, C8H10NO5S.Na, Sulbactam sodium [USAN:JAN], Sodium penicillanate 1,1-dioxide, AMPICILLIN AND SULBACTAM, EINECS 273-984-4, Penicillanic acid dioxide sodium salt, Penicillanic acid sulfone sodium salt, Penicillanic acid 1,1-dioxide sodium salt, CP 45899-2, LS-149816, 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-, 4,4-dioxide, sodium salt, (2S-cis)-, Sodium (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate 4,4-dioxide

Molecular Formula:	C₈H₁₀NNaO₅S	Molecular Weight:	255.223470 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: NKZMPZCWBSWAOX-UHFFFAOYSA-M

• Sultamicillin Tosylate

IUPAC Name: [(2S,5R)-3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]oxymethyl (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; 4-methylbenzenesulfonic acid | CAS Registry Number: 83105-70-8
Synonyms: Bacimex, Unacim, Unasyn, Sultamicillin tosilate, SULTAMICILLIN TOSYLATE, CID444021, VD-1827, CP-49952, C13129

Molecular Formula:	C₃₂H₃₈N₄O₁₂S₃	Molecular Weight:	766.858720 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	13

InChIKey: FFCSPKNZHGIDQM-CGAOXQFVSA-N

• Teicoplanin Sodium

Synonyms: Teichomycin, Teicomycin A2, Teicplanin A2, Targocid(TM), Teicoplanin A2-3, TEICOPLANIN, Antibiotic 8327A, Antibiotic MDL 507, Teichomycin A2 factor 3, MDL 507, AIDS007693, AIDS-007693, C13588, 61036-64-4 (A 2), 91032-36-9

Molecular Formula:	C₈₈H₉₇Cl₂N₉O₃₃	Molecular Weight:	1879.658280 [g/mol]
H-Bond Donor:	24	H-Bond Acceptor:	34

InChIKey: BJNLLBUOHPVGFT-QRZIFLFXSA-N

• Temozolomide

IUPAC Name: 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide | CAS Registry Number: 85622-93-1
Synonyms: temozolomide, Methazolastone, Temodal, Temodar, Temozolamide, Temozolomidum [Latin], Temozolodida [Spanish], Temodal (TN), Temozolomide [BAN:INN], Temozolomide [INN:BAN], Essex brand of temozolomide, CCRG 81045, CCRG-81045, Sch 52365, MLS000759447, MLS001424028, Schering brand of temozolomide, C6H6N6O2, CCRIS 8996, Temozolomide (JAN/USAN/INN)

Molecular Formula:	C₆H₆N₆O₂	Molecular Weight:	194.150840 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: BPEGJWRSRHCHSN-UHFFFAOYSA-N

• Tolterodine L-tartrate

IUPAC Name: (2R,3R)-2,3-dihydroxybutanedioic acid; 2-[(1S)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol | CAS Registry Number: 124937-52-6
Synonyms: Detrusitol, Detrol, Tolterodine tartrate, Detrol LA, Detrusitol (TN), Detrol (TN), Tolterodine tartrate [USAN], Tolterodine tartrate (JAN/USAN), PNU 200583E, D01148, Phenol, 2-((1R)-3-(bis(1-methylethyl)amino)-1-phenylpropyl)-4-methyl-, (2R,3R)-2,3-dihydroxybutanedioate (1:1) (salt), Phenol, 2-(3-(bis(1-methylethyl)amino)-1-phenylpropyl)-4-methyl-, (R)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1) (salt)

Molecular Formula:	C₂₆H₃₇NO₇	Molecular Weight:	475.574480 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	8

InChIKey: TWHNMSJGYKMTRB-CDHDNNKHSA-N

• Travoprost

IUPAC Name: propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoate | CAS Registry Number: 157283-68-6
Synonyms: Travatan, Travatan Z, Travatanz, Travatan Alcon, Travatan (TN), Travoprost [USAN], Travoprost (JAN/USAN/INN), (+)-Fluprostenol isopropyl ester, C26H35F3O6, AL-6221, AL6221, DB00287, LS-173521, D01964, (((1R)-(1alpha(Z),2beta(1E,3R*),3alpha,5alpha))-7-(3,5-dihydroxy-2-(3-hydroxy-4-(3-trifluoromethyl)phenoxy)-1-butenyl)cyclopentyl)-5-heptenoic acid, 1-methylethyl ester, (1R-(1alpha(Z),2beta(1E,3R*),3alpha,5alpha))-7-(3,5-Dihydroxy-2-(3-hydroxy-4-(3-(trifluoromethyl)phenoxy)-1-butenyl)cyclopentyl)-5-heptenoic acid, 1-methylethyl ester, (Z)-7-((1R,2R,3R,5S)-3,5-Dihydroxy-2-((1E,3R)-3-hydroxy-4-((alpha,alpha,alpha-trifluoro-m-isopropyl-tolyl)oxy)-1-butenyl)cyclopentyl)-5-heptenoate, 5-Heptenoic acid, 7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((1E,3R)-3-hydroxy-4-(3-(trifluoromethyl)phenoxy)-1-butenyl)cyclopentyl)-, 1-methylethyl ester, (5Z)-, 5-Heptenoic acid, 7-(3,5-dihydroxy-2-(3-hydroxy-4-(3-(trifluoromethyl)phenoxy)-1-butenyl)cyclopentyl)-, 1-methylethyl ester, (1R-(1alpha(Z),2beta(1E,3R*),3alpha,5alpha))-, 5-Heptenoic acid,7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((1E,3R)-3-hydroxy-4-(3-(trifluoromethyl)phenoxy)-1-butenyl)cyclopentyl)-,1-methylethyl ester,(5Z)

Molecular Formula:	C₂₆H₃₅F₃O₆	Molecular Weight:	500.547710 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	9

InChIKey: MKPLKVHSHYCHOC-AHTXBMBWSA-N

• Trimetazidine Dihydro Chloride

IUPAC Name: 1-[(2,3,4-trimethoxyphenyl)methyl]piperazine dihydrochloride | CAS Registry Number: 13171-25-0
Synonyms: Kyurinett, Trimetajust, Lubomail, Vastarel, Yosimilon, Kyurinett (TN), Prestwick_871, Trimetazidine dihydrochloride, Trimetazidine hydrochloride, Trimetazine dihydrochloride, 653322_ALDRICH, EINECS 236-117-0, CID83201, Trimetazidine Hydrochloride (JP15), S 4004, 1-(2,3,4-Trimethoxybenzyl)piperazine dihydrochloride, LS-113497, TL8000751, D01606, Piperazine, 1-(2,3,4-trimethoxybenzyl)-, dihydrochloride

Molecular Formula:	C₁₄H₂₄Cl₂N₂O₃	Molecular Weight:	339.257960 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: VYFLPFGUVGMBEP-UHFFFAOYSA-N

• Tropisetron

IUPAC Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate | CAS Registry Number: 89565-68-4
Synonyms: tropisetron, Navoban, Novaban, Navoban (TN), Tropisetron (INN), Lopac-T-104, STOCK1N-71105, PDSP1_000776, PDSP2_000764, ICS-205930, NCGC00015984-01, NCGC00161414-01, C13666, D02130, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 1H-indole-3-carboxylate

Molecular Formula:	C₁₇H₂₀N₂O₂	Molecular Weight:	284.352900 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: ZNRGQMMCGHDTEI-FUNVUKJBSA-N

• Valsartan

IUPAC Name: (2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid | CAS Registry Number: 137862-53-4
Synonyms: valsartan, Diovan, Exforge, Mixture Name, Diovan Hct, Diovan (TN), Valsartan [USAN:INN], Spectrum_001796, Spectrum2_001120, Spectrum3_001831, Spectrum4_000749, Spectrum5_001582, BSPBio_003501, KBioGR_001078, KBioSS_002289, MLS000759423, MLS001424088, Valsartan (JAN/USAN/INN), SPECTRUM1505209, SPBio_001260

Molecular Formula:	C₂₄H₂₉N₅O₃	Molecular Weight:	435.518760 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	7

InChIKey: ACWBQPMHZXGDFX-QFIPXVFZSA-N

• Vanillin

IUPAC Name: 4-hydroxy-3-methoxybenzaldehyde | CAS Registry Number: 121-33-5
Synonyms: vanillin, Vanillaldehyde, Vanillic aldehyde, Vanilla, Lioxin, Zimco, 4-Hydroxy-3-methoxybenzaldehyde, p-Vanillin, Vanilline, vaniline, Propenylguaethol, Oleoresin vanilla, Vanilla oleoresin, 5-Chlorovanillin, Vanillin (natural), Vanillin [USAN], 4-Hydroxy-m-anisaldehyde, 4-Formyl-2-methoxyphenol, Vanillin (NF), Methylprotocatechuic aldehyde

Molecular Formula:	C₈H₈O₃	Molecular Weight:	152.147320 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: MWOOGOJBHIARFG-UHFFFAOYSA-N

• Velcade

IUPAC Name: [(1R)-3-methyl-1-[[(2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoyl]amino]butyl]boronic acid | CAS Registry Number: 179324-69-7
Synonyms: Bortezomib, Pyz-Phe-boroLeu, Velcade (TN), DPBA, PROSCRIPT BORONIC ACID, Bortezomib (JAN/USAN/INN), PS-341, Ps 341, LDP-341, LPD 341, LPD-341, MLN-341, AIDS004352, AIDS-004352, CID387447, NSC681239, NSC-681239, NCI60_029010, D03150, BO2

Molecular Formula:	C₁₉H₂₅BN₄O₄	Molecular Weight:	384.237200 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	6

InChIKey: GXJABQQUPOEUTA-RDJZCZTQSA-N

• Vinblastine

Synonyms: vinblastine, Vincaleukoblastine, Indole alkaloid, STOCK1N-71217, CHEBI:27375, AIDS002673, AIDS-002673, NSC49842, CID241903, 143-67-9 (SULFATE), NCGC00181127-01, NCI60_004200, LS-187263, C07201, (2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE, VLB

Molecular Formula:	C₄₆H₅₈N₄O₉	Molecular Weight:	810.974120 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	13

InChIKey: JXLYSJRDGCGARV-XQKSVPLYSA-N

• Vinblastine Sulphate

Synonyms: Velban, Vinblastine sulfate, VLB monosulfate, Velbe, Vinblastine 5, Velsar, Rozevin sulfate, EXAL, Belvan, VLB, Vincaleukoblastine, Velban (TN), Vinblastine sulphate, Exal (TN), Vincaleucoblastine sulfate, Vincaleukoblastine sulfate, Vincaleukoblastine, sulfate, Vinblastine Sulfate Hydrate, Vinblastine, sulfate, hydrate, CCRIS 2584, CHEBI:9984

Molecular Formula:	C₄₆H₆₀N₄O₁₃S	Molecular Weight:	909.052600 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	17

InChIKey: KDQAABAKXDWYSZ-JKDPCDLQSA-N

• Vincristine Sulphate

Synonyms: Oncovin, Kyocristine, Vincrisul, Onkovin, Vincristine sulfate, Vincrex, VCR sulfate, vincristine, Leurocristine, Vincasar PFS, Vincristine sulphate, Oncovin (TN), Leurocristine sulfate, Vincristine, sulfate, Lilly 37231, Leurocristine, sulfate, Vincristinsulfat [German], Ambap1387, Vincristine Sulfate PFS, CCRIS 2583

Molecular Formula:	C₄₆H₅₈N₄O₁₄S	Molecular Weight:	923.036120 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	17

InChIKey: AQTQHPDCURKLKT-JKDPCDLQSA-N

• Vinorelbine Tartrate

Synonyms: Navelbine, vinorelbine, Vinorelbine tartrate, Vinorelbine ditartrate, Navelbine (TN), Vinorelbine tartrate [USAN], Vinorelbine tartrate (USP), Vinorelbine ditartrate (JAN), Nor-5'-anhydrovinblastine ditartrate, CID60779, KW-2307, C45H54N4O8.2C4H6O6, KW 2307, LS-97534, D01935, Aspidospermidine-3-carboxylic acid, 4-(acetyloxy)-6,7-didehydro-15-((2R,6R,8S)-4-ethyl-1,3,6,7,8,9-hexahydro-8-(methoxycarbonyl)-2,6-methano-2H-azecino(4,3-b)indol-8-yl)-3-hydroxy-16-methoxy-1-methyl-, methyl ester, (2beta,3beta,4beta,5alpha,12R,19alpha)-, (2R,3R)-2,3-dihydroxybutanedioate (1:2) (salt), C'-Norvincaleukoblastine, 3',4'-didehydro-4'-deoxy-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:2) (salt), 3',4'-Didehydro-4'-deoxy-8'-norvincaleukoblastine L-(+)-tartrate (1:2) (salt)

Molecular Formula:	C₅₃H₆₆N₄O₂₀	Molecular Weight:	1079.105940 [g/mol]
H-Bond Donor:	10	H-Bond Acceptor:	24

InChIKey: CILBMBUYJCWATM-NPJYPKOYSA-N

• Vitamin A Acetate

IUPAC Name: [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] acetate | CAS Registry Number: 127-47-9
Synonyms: Retinol acetate, Retinol, acetate, Crystalets, Myvak, Myvax, RETINYL ACETATE, Vitamin A acetate, Vitamin A ester, O~15~-acetylretinol, Vitamin A1 acetate, Myvak (VAN), Myvax (VAN), Davitan A 650, all-trans-Retinyl acetate, all-trans-Retinylacetate, Retinol, acetate, all-trans-, all-trans-Retinol acetate, Vitamin A alcohol acetate, Vitamin A acetate (VAN), Acetic acid, retinyl ester

Molecular Formula:	C₂₂H₃₂O₂	Molecular Weight:	328.488280 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: QGNJRVVDBSJHIZ-QHLGVNSISA-N

• Vitamin B12

IUPAC Name: cobalt(3+); [(2R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl phosphate; cyanide | CAS Registry Number: 68-19-9
Synonyms: cyanocobalamin, Erythrotin, Mecobalamin, Anacobin, Berubigen, Cytobion, Megabion, Nagravon, Rubripca, Vitarubin, Depinar, Ducobee, Hepavis, Poyamin, Sytobex, Vibalt, vitamin B12, CN-Cbl, Cyano-B12, AIDS001650

Molecular Formula:	C₆₃H₈₈CoN₁₄O₁₄P	Molecular Weight:	1355.365181 [g/mol]
H-Bond Donor:	9	H-Bond Acceptor:	22

InChIKey: FDJOLVPMNUYSCM-JLKASCPDSA-L

• Zaltoprofen

IUPAC Name: 2-(5-oxo-6H-benzo[b][1]benzothiepin-8-yl)propanoic acid | CAS Registry Number: 89482-00-8
Synonyms: zaltoprofen, Peon, Soleton, Zaltoprofen (+-)-, Peon (TN), Zaltoprofen (unspecified), Zaltoprofen [INN:JAN], Zaltoprofen (JP15/INN), Zaltoprofene [INN-French], Zaltoprofenum [INN-Latin], Zaltoprofeno [INN-Spanish], CN 100, CN-100, C17H14O3S, EINECS 277-973-5, ZC-102, LS-61331, D01547, 10,11-Dihydro-alpha-methyl-10-oxodibenzo(b,f)thiepin-2-acetic acid, (+-)-2-(10,11-Dihydro-10-oxodibenzo(b,f)thiepin-2-yl)propionic acid

Molecular Formula:	C₁₇H₁₄O₃S	Molecular Weight:	298.356260 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: MUXFZBHBYYYLTH-UHFFFAOYSA-N

• 5'-O-(4,4-Dimethoxytrityl)-2'-O-[(tert-Butyl)dimethylsilyl]-N-[[4-(tert-Butyl)phenoxy]acetyl]adenosine-3'-(2-Cyanoethyl-N,N-Diisopropyl)phosphoramidite

IUPAC Name: N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]purin-6-yl]-2-(4-tert-butylphenoxy)acetamide | CAS Registry Number: 149989-64-0
Synonyms: DMT-2'O-TBDMS-rA(tac) Phosphoramidite, configured for ABI, DMT-2'O-TBDMS-rA(tac) Phosphoramidite, configured for MerMade, 2?--TBDMS-rA(N-tac)phosphoramidite, DMT-2'O-TBDMS-rA(tac) Phosphoramidite, DMT-2'O-TBDMS-rA(tac) Phosphoramidite, configured for ??KTA(R) and OligoPilot(R), DMT-2'O-TBDMS-rA(tac) Phosphoramidite, configured for PerkinElmer, configured for Polygen, DMT-2'O-TBDMS-rA(tac) Phosphoramidite, configured for PerkinElmer 8900, configured for Polygen

Molecular Formula:	C₅₈H₇₆N₇O₉PSi	Molecular Weight:	1074.345 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	14

InChIKey: FWMHZIXOXNRHDJ-MGFFOSEMSA-N

• 2-Aminoethylsulphonic Acid

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

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

InChIKey: XOAAWQZATWQOTB-UHFFFAOYSA-N

• 3-Pyridine Carboxamide

IUPAC Name: pyridine-3-carboxamide | CAS Registry Number: 98-92-0
Synonyms: nicotinamide, niacinamide, vitamin PP, 3-Pyridinecarboxamide, Aminicotin, Amixicotyn, Papulex, Nikotinamid, Savacotyl, Endobion, Hansamid, Nicobion, vitamin B3, Benicot, Dipegyl, Pelmine, Delonin amide, Pelonin amide, Nicotililamido, Nicosylamide

Molecular Formula:	C₆H₆N₂O	Molecular Weight:	122.124640 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: DFPAKSUCGFBDDF-UHFFFAOYSA-N

• 2-Fluoroadenosine

IUPAC Name: (2R,3R,4S,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol | CAS Registry Number: 146-78-1
Synonyms: 2-Far, 2-Fas, F-Ara-A, Ambap1078, Fludarabine des-phosphate, ADENOSINE, 2-FLUORO-, MLS001066367, F2773_SIGMA, SRI 727, 656402_ALDRICH, CHEBI:39740, NSC 30605, BRN 0043956, PDSP1_001071, PDSP2_001055, 6-Amino-2-fluoro-9-beta-D-ribofuranosylpurine, AI3-52599, NCGC00181336-01, LS-15139, SMR000471849

Molecular Formula:	C₁₀H₁₂FN₅O₄	Molecular Weight:	285.231783 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	10

InChIKey: HBUBKKRHXORPQB-UUOKFMHZSA-N

• 4,7-Dichloro Quinloine

IUPAC Name: 4,7-dichloroquinoline | CAS Registry Number: 86-98-6
Synonyms: 4,7-Dichloroquinoline, QUINOLINE, 4,7-DICHLORO-, D74002_ALDRICH, NSC 593, 141437_ALDRICH, NSC593, WLN: T66 BNJ EG IG, 35610_FLUKA, EINECS 201-714-7, AIDS020537, AIDS-020537, TL 1473, BRN 0125359, ZINC00119471, 4,7-DICHLOROQUINOLINE, 90%, AI3-50374, LS-141805, ST5308125, 5-20-07-00316 (Beilstein Handbook Reference)

Molecular Formula:	C₉H₅Cl₂N	Molecular Weight:	198.048700 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: HXEWMTXDBOQQKO-UHFFFAOYSA-N