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• Reichstein S

IUPAC Name: (8R,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one | CAS Registry Number: 152-58-9
Synonyms: Cortexolone, 11-Deoxycortisol, 11-Desoxycortisol, CORTODOXONE, Substance S, 11 Deoxycortisol, 11-Dioxycortisol, 11-Desoxycortisone, Cortodoxone (USAN), Reichstein's substance S, 11-Deoxyhydrocortisone, Cortisol, 11-deoxy-, 11-Desoxyhydrocortisone, Reichstein's compound S, 17alpha-Hydroxycortexone, 17-alpha-Hydroxycortexone, Cortodoxonum [INN-Latin], Substance S, Reichstein's, 11-DEOXY-CORTISOL, Cortodoxona [INN-Spanish]

Molecular Formula:	C₂₁H₃₀O₄	Molecular Weight:	346.460500 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: WHBHBVVOGNECLV-OBQKJFGGSA-N

• Repaglinide

IUPAC Name: 2-ethoxy-4-[2-[[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxoethyl]benzoic acid | CAS Registry Number: 135062-02-1
Synonyms: Prandin, NovoNorm, Actulin, GlucoNorm, Repaglinide [USAN], Prandin (TN), Repaglinidum [INN-Latin], Repaglinida [INN-Spanish], Prestwick0_001046, Prestwick1_001046, Prestwick2_001046, Prestwick3_001046, AG-EE 388 ZW, AG-EE 623 ZW, BSPBio_000972, MLS000759407, MLS001076684, R9028_SIGMA, Repaglinide (JAN/USP/INN), SPBio_002906

Molecular Formula:	C₂₇H₃₆N₂O₄	Molecular Weight:	452.585740 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: FAEKWTJYAYMJKF-QHCPKHFHSA-N

• Research Chemicals

• Resveratrol

IUPAC Name: 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol | CAS Registry Number: 501-36-0
Synonyms: resveratrol, trans-resveratrol, (E)-resveratrol, 3,4',5-Stilbenetriol, 3,4',5-Trihydroxystilbene, Prestwick_619, 3,5,4'-Trihydroxystilbene, nchembio.140-comp2, Prestwick2_000508, Prestwick3_000508, Spectrum5_000552, Lopac0_001111, BSPBio_000435, BSPBio_001114, BSPBio_003461, 3,4',5-trihydroxy-stilbene, MLS000069735, MLS001055357, MLS001076538, R5010_SIGMA

Molecular Formula:	C₁₄H₁₂O₃	Molecular Weight:	228.243280 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: LUKBXSAWLPMMSZ-OWOJBTEDSA-N

• Rhein

IUPAC Name: 4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid | CAS Registry Number: 478-43-3
Synonyms: Rhubarb Yellow, Monorhein, Cassic acid, Rheic acid, dipropionyl rhein, Chrysazin-3-carboxylic acid, CCRIS 5129, MLS000069639, R7269_SIGMA, 275611_ALDRICH, MEGxp0_001866, ACon1_000217, EINECS 207-521-4, C15H8O6, 4,5-DiOH-anthraquinone-2-COOH, NSC 38629, AIDS001379, 4,5-Dihydroxyanthraquinone-2-carboxylic acid, AIDS-001379, NSC38629

Molecular Formula:	C₁₅H₈O₆	Molecular Weight:	284.220420 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: FCDLCPWAQCPTKC-UHFFFAOYSA-N

• Ribavirin

IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide | CAS Registry Number: 36791-04-5
Synonyms: ribavirin, Virazole, Copegus, Rebetol, Ribasphere, Tribavirin, Viramid, Vilona, Rebetron, Ribamide, Ribamidil, Ribamidyl, Varazid, Ribavirine, Rebretron, Ribovirin, Viramide, Virazid, Ribav, Ribavirin Capsules

Molecular Formula:	C₈H₁₂N₄O₅	Molecular Weight:	244.204680 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	8

InChIKey: IWUCXVSUMQZMFG-AFCXAGJDSA-N

• Riboprine

IUPAC Name: 2-(hydroxymethyl)-5-[6-(3-methylbut-2-enylamino)purin-9-yl]oxolane-3,4-diol | CAS Registry Number: 7724-76-7
Synonyms: Isopentenyladenosine, Dimethylallyladenosine, N-Isopentenyladenosine, 2iPA, N6-Isopentenyladenosine, N6-2-Isopentenyladenosine, Isopentenyl adenine riboside, N6-(2-Isopentenyl)adenosine, N-(3-Methyl-2-butenyl)adenosine, N-6-(2-Isopentenyl)adenosine, N6-(3-Methyl-2-butenyl)adenosine, CHEBI:293642, NSC105546, AIDS126321, N6-(.DELTA.2-Isopentenyl)adenosine, AIDS-126321, CID266767, N-6(.delta.-2-isopentenyl)adenosine, SQ 22558, SQ 22,558

Molecular Formula:	C₁₅H₂₁N₅O₄	Molecular Weight:	335.358340 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	8

InChIKey: USVMJSALORZVDV-UHFFFAOYSA-N

• Rifampicin

Synonyms: rifampin, Rimactane, Rifadin, Rimactan, Riforal, Ramp, Rifa, Rifaldazine, Rifaprodin, Rifoldine, Rimactizid, Archidyn, Rifoldin, Rifagen, Rimazid, Tubocin, Rifamycin AMP, Rifampicin SV, Rifampicinum, Fenampicin

Molecular Formula:	C₄₃H₅₈N₄O₁₂	Molecular Weight:	822.940220 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	15

InChIKey: FZYOVNIOYYPUPY-ZTWDQPHTSA-N

• Riluzole

IUPAC Name: 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine | CAS Registry Number: 1744-22-5
Synonyms: riluzole, Rilutek, Rilutek (TN), Prestwick-03A08, Riluzol [INN-Spanish], Riluzole [USAN:INN], Riluzolum [INN-Latin], Tocris-0768, Lopac-R-116, Prestwick0_000167, Prestwick1_000167, Prestwick2_000167, Prestwick3_000167, Spectrum2_000550, Biomol-NT_000245, C8H5F3N2OS, R116_SIGMA, Lopac0_001064, BSPBio_000033, Riluzole (JAN/USAN/INN)

Molecular Formula:	C₈H₅F₃N₂OS	Molecular Weight:	234.198310 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: FTALBRSUTCGOEG-UHFFFAOYSA-N

• Risedronate

IUPAC Name: (1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid | CAS Registry Number: 105462-24-6
Synonyms: Risedronic acid, Risedronate sodium, Actonel, Bisphosphonate 1, Risedronic acid [INN], Risedronic acid [INN:BAN], Acide risedronique [INN-French], Acido risedronico [INN-Spanish], Acidum risedronicum [INN-Latin], C7H11NO7P2, HSDB 7326, CID5245, AIDS088659, AIDS-088659, NE 58019, DB00884, DB02782, NE-58095, LS-171967, 105462-24-6 (FREE ACID)

Molecular Formula:	C₇H₁₁NO₇P₂	Molecular Weight:	283.112262 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	8

InChIKey: IIDJRNMFWXDHID-UHFFFAOYSA-N

• Risperidone

IUPAC Name: 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one | CAS Registry Number: 106266-06-2
Synonyms: risperidone, Risperdal, Rispolept, Risperdal Consta, Risperin, Rispolin, Sequinan, Risperidal, Risperidonum, Belivon, Risperidal M-Tab, Risperidonum [Latin], Risperdal M-Tab, Risperidona [Spanish], Consta, Risperdal, Risperdal (TN), Risperidone (RIS), Risperidone, placebo, Ambap6280, Lopac-R-118

Molecular Formula:	C₂₃H₂₇FN₄O₂	Molecular Weight:	410.484483 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: RAPZEAPATHNIPO-UHFFFAOYSA-N

• Ritonavir

IUPAC Name: 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-di(phenyl)hexan-2-yl]carbamate | CAS Registry Number: 155213-67-5
Synonyms: ritonavir, Norvir, Kaletra, Mixture Name, 1hxw, Ritonavir [USAN], Component of Kaletra, Norvir (TM), Norvir (TN), Abbott 84538, 1sh9, ABT-538, MLS000759541, MLS001424063, Ritonavir (JAN/USAN/INN), ABT538, STOCK6S-48483, HSDB 7160, C37H48N6O5S2, NSC693184

Molecular Formula:	C₃₇H₄₈N₆O₅S₂	Molecular Weight:	720.944220 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	7

InChIKey: NCDNCNXCDXHOMX-XGKFQTDJSA-N

• Rivastigmine

IUPAC Name: [3-[(1S)-1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate | CAS Registry Number: 123441-03-2
Synonyms: rivastigmine, Exelon, ENA 713 free base, Rivastigmine tartrate, Exelon (TN), Rivastigmine [USAN:INN], Rivastigmine (USAN/INN), Rivastigmine Hydrogen Tartrate, ENA 713, ENA-713, C14H22N2O2, CID77991, SDZ 212-713, DB00989, NCGC00167531-01, LS-172571, C11766, D03822, 3-((1S)-1-(Dimethylamino)ethyl)phenyl ethylmethylcarbamate, (S)-3-(1-(Dimethylamino)ethyl)phenyl ethylmethylcarbamate

Molecular Formula:	C₁₄H₂₂N₂O₂	Molecular Weight:	250.336680 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: XSVMFMHYUFZWBK-NSHDSACASA-N

• Rivastigmine (CAS: 320-67-4)

• Rivastigmine Tartrate

IUPAC Name: (2S,3S)-2,3-dihydroxybutanedioic acid; [3-[(1S)-1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate | CAS Registry Number: 129101-54-8
Synonyms: Exelon, Rivastigmine tartrate, Rivastigmine hydrogentartrate, SDZ-ENA 713, ENA 713, ENA-713, CID77990, Carbamic acid, ethylmethyl-, 3-((1S)-1-(dimethylamino)ethyl)phenyl ester, (2R,3R)-2,3-dihydroxybutanedioate (1:1), Carbamic acid, ethylmethyl-, 3-(1-(dimethylamino)ethyl)phenyl ester, (S)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)

Molecular Formula:	C₁₈H₂₈N₂O₈	Molecular Weight:	400.423520 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	9

InChIKey: GWHQHAUAXRMMOT-RWALOXMOSA-N

• Rizatriptan

IUPAC Name: N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine | CAS Registry Number: 144034-80-0
Synonyms: rizatriptan, Risatriptan, MK 462 free base, Rizatriptan benzoat, Rizatriptan benzoate, Rizatriptan [INN:BAN], SPECTRUM1505189, CID5078, CHEBI:48273, DB00953, NCGC00095899-01, LS-83053, TL8000966, N,N-Dimethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-1H-indole-3-ethanamine, 1H-Indole-3-ethanamine, N,N-dimethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-, N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]-ethanamine, N,N-dimethyl-2-[5-(1H-1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine, N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine, N,N-Dimethyl-2-[5-(1H-1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethylamine

Molecular Formula:	C₁₅H₁₉N₅	Molecular Weight:	269.344860 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: ULFRLSNUDGIQQP-UHFFFAOYSA-N

• Rofecoxib

IUPAC Name: 3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one | CAS Registry Number: 162011-90-7
Synonyms: rofecoxib, Vioxx, Ceoxx, refecoxib, Vioxx Dolor, Vioxx (trademark), Vioxx (TN), MSD brand of rofecoxib, Spectrum_000119, SpecPlus_000669, Merck brand of rofecoxib, Spectrum2_000446, Spectrum3_001153, Spectrum4_000631, Spectrum5_001598, CCRIS 8967, MK 966, BSPBio_002705, KBioGR_001242, KBioGR_002345

Molecular Formula:	C₁₇H₁₄O₄S	Molecular Weight:	314.355660 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: RZJQGNCSTQAWON-UHFFFAOYSA-N

• Ronidazole

IUPAC Name: (1-methyl-5-nitroimidazol-2-yl)methyl carbamate | CAS Registry Number: 7681-76-7
Synonyms: ronidazole, Ridazole, Ridzol, Ronidazol, Dugro, Ridzol P, Ronidazolum, Ronidazol-pharmachim, Ronidazole (USAN), Ronidazol [INN-Spanish], Ronidazolum [INN-Latin], Spectrum_001147, Prestwick0_001115, Prestwick1_001115, Prestwick2_001115, Prestwick3_001115, Spectrum2_001037, Spectrum3_001461, Spectrum4_000450, Spectrum5_001151

Molecular Formula:	C₆H₈N₄O₄	Molecular Weight:	200.152120 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: PQFRTXSWDXZRRS-UHFFFAOYSA-N

• Ropinirole

IUPAC Name: 4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one | CAS Registry Number: 91374-21-9
Synonyms: ropinirole, ReQuip, ropinirol, Ropinirole HCl, Ropinirole hydrochloride, Ropinirol [INN-Spanish], Ropinirolum [INN-Latin], Ropinirole [INN:BAN], Lopac-R-4152, Lopac0_001101, SPECTRUM1505178, CHEBI:8888, C16H24N2O, CID5095, DB00268, SKF 101468, SK&F 101468, NCGC00015893-01, NCGC00096064-01, NCGC00096064-02

Molecular Formula:	C₁₆H₂₄N₂O	Molecular Weight:	260.374560 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: UHSKFQJFRQCDBE-UHFFFAOYSA-N

• Rosiglitazone

IUPAC Name: 5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione | CAS Registry Number: 122320-73-4
Synonyms: rosiglitazone, Avandia, Rosigilitazone, Rosiglizole, Rosi, Rosiglitazone maleate, Rosigliazone maleate, Brl-49653, Spectrum_001703, rosiglitazone (Avandia), Spectrum2_001241, Spectrum3_000997, Spectrum4_001125, Spectrum5_001464, Brl 49653, Rosiglitazone [INN:BAN], BSPBio_002693, KBioGR_001609, KBioSS_002183, SPECTRUM1504263

Molecular Formula:	C₁₈H₁₉N₃O₃S	Molecular Weight:	357.426760 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: YASAKCUCGLMORW-UHFFFAOYSA-N

• Rosiglitazone Maleate

IUPAC Name: (Z)-but-2-enedioic acid; 5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione | CAS Registry Number: 155141-29-0
Synonyms: Avandia, Rosiglitazone maleate, rosiglitazone, Avandaryl, Nyracta, Venvia, Mixture Name, Avandia (TN), Rosiglitazone Maleate [USAN], MLS001306472, MLS001401426, BRL 49653C, BRL 49653-C, BRL-49653C, Rosiglitazone maleate (JAN/USAN), C18H19N3O3S.C4H4O4, NSC717764, Avandia administration for 6-12 weeks, CID5281055, CPD000471612

Molecular Formula:	C₂₂H₂₃N₃O₇S	Molecular Weight:	473.498920 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	9

InChIKey: SUFUKZSWUHZXAV-BTJKTKAUSA-N

• Rosuvastatin

IUPAC Name: (E,3R,5R)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid | CAS Registry Number: 287714-41-4
Synonyms: Rosuvastatin [INN], HSDB 7317, DB01098, ZD-4522, (E,3R,5R)-7-[4-(4-fluorophenyl)-2-(methyl-methylsulfonylamino)-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid, 147098-20-2, 6-Heptenoic acid, 7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(ethyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-, (3R,5S,6E), 6-Heptenoic acid, 7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(ethyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-, (3R,5S,6E)-

Molecular Formula:	C₂₂H₂₈FN₃O₆S	Molecular Weight:	481.537623 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	10

InChIKey: BPRHUIZQVSMCRT-YXWZHEERSA-N

• Rosuvastatin Calcium

IUPAC Name: calcium (E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate | CAS Registry Number: 147098-20-2
Synonyms: Crestor, Rosuvastatin calcium, Provisacor, Rosuvastatin, Crestor (TN), Rosuvastatin hemicalcium, ZD 4522, calcium salt, Rosuvastatin calcium [USAN], Rosuvastatin calcium (JAN/USAN), ZD 4522, ZD4522, ZD-4522, LS-181805, TL8006179, D01915, S 4522, S-4522, (S-((R*,S*-(E)))- 7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(methyl(methylsulfonyl) amino)-5-pyrimidinyl)-3,5-dihydroxy-6-heptenoic acid, calcium salt (2:1), (S-(R*,S*-(E)))-7-(4-(4-Fluorophenyl)-6-(1-methylethyl)-2-(methyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-6-heptenoic acid, calcium salt (2:1), 6-Heptenoic acid, 7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(methyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-, calcium salt (2:1), (3R,5S,6E)

Molecular Formula:	C₄₄H₅₄CaF₂N₆O₁₂S₂	Molecular Weight:	1001.137366 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	20

InChIKey: LALFOYNTGMUKGG-BGRFNVSISA-L

• Rosuvastatin-5S-lactone

IUPAC Name: N-[4-(4-fluorophenyl)-5-[(E)-2-[(2R,4S)-4-hydroxy-6-oxooxan-2-yl]ethenyl]-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide | CAS Registry Number: 503610-43-3
Synonyms: Rosuvastatin Lactone, Rosuvastatin-5R-lactone, ent-Rosuvastatin Lactone, UNII-FL37W41F3T, FT-0647499, 615263-62-2, Methanesulfonamide, N-(4-(4-fluorophenyl)-6-(1-methylethyl)-5-((1E)-2-((2S,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethenyl)-2-pyrimidinyl)-N-methyl-, rel-N-[4-(4-Fluorophenyl)-6-(1-methylethyl)-5-[(1E)-2-[(2R,4S)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethenyl]-2-pyrimidinyl]-N-methylmethanesulfonamide

Molecular Formula:	C₂₂H₂₆FN₃O₅S	Molecular Weight:	463.522343 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	9

InChIKey: SOEGVMSNJOCVHT-RJCHQFKYSA-N

• Roxithromycin

IUPAC Name: (2R,3S,4S,5R,6R,8R,9E,10S,11R,12S,13R)-5-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-6,11,12-trihydroxy-3-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-9-(2-methoxyethoxymethoxyimino)-2,4,6,8,10,12-hexamethyl-14-oxacyclotetradecan-1-one | CAS Registry Number: 80214-83-1
Synonyms: roxithromycin, Rulide, Prestwick_1046, Roxithromycine [French], Roxithromycinum [Latin], Roxitromicina [Spanish], Prestwick2_000854, CCRIS 3461, Roxithromycin [USAN:INN:JAN], RU 965, AIDS208769, AIDS-208769, C41H76N2O15, BRN 4286925, RU-965, RU 28965, CID9567573, Roxithromycin plus Tumor Necrosis Factor, LS-64684, RU-28965

Molecular Formula:	C₄₁H₇₆N₂O₁₅	Molecular Weight:	837.046540 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	17

InChIKey: RXZBMPWDPOLZGW-KMAKEOJNSA-N

• Rubidomycin

IUPAC Name: (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione | CAS Registry Number: 20830-81-3
Synonyms: daunorubicin, Daunomycin, Acetyladriamycin, Leukaemomycin C, Daunarubicinum, Daunorrubicina, Daunorubicine, Rubomycin C, Daunamycin, Cerubidin, DaunoXome, Daunoblastine, Anthracyline, Cerubidine, Daunoblastin, (+)-Daunomycin, Rubomycin, Dauno-Rubidomycine, nchembio723-comp2, Tocris-1467

Molecular Formula:	C₂₇H₂₉NO₁₀	Molecular Weight:	527.519860 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	11

InChIKey: STQGQHZAVUOBTE-VGBVRHCVSA-N

• Rufinamide

IUPAC Name: 1-[(2,6-difluorophenyl)methyl]triazole-4-carboxamide | CAS Registry Number: 106308-44-5
Synonyms: Inovelon, Banzel, Xilep, Rufinamide (USAN/INN), MLS001332513, MLS001332514, R8404_SIGMA, Cgp 33101, RUF-331, SYN-111, CGP-33101, NCGC00165883-01, NCGC00165883-02, SMR000857122, D05775, E-2080, 1-(2,6-Difluorobenzyl)-1H-1,2,3-triazole-4-carboxamide, 1-[(2,6-difluorophenyl)methyl]-1H-1,2,3-Triazole-4-carboxamide, 1H-1,2,3-Triazole-4-carboxamide, 1-((2,6-difluorophenyl)methyl)-

Molecular Formula:	C₁₀H₈F₂N₄O	Molecular Weight:	238.193526 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: POGQSBRIGCQNEG-UHFFFAOYSA-N

• Salbutamol

IUPAC Name: 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol | CAS Registry Number: 18559-94-9
Synonyms: albuterol, Proventil, Broncovaleas, Levalbuterol, Novosalmol, Salbuhexal, Salbutalan, Servitamol, Ventiloboi, Ventodisks, Asthalin, Butohaler, Butovent, Buventol, Cobutolin, Dilatamol, Farcolin, Gerivent, Grafalin, Libretin

Molecular Formula:	C₁₃H₂₁NO₃	Molecular Weight:	239.310740 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	4

InChIKey: NDAUXUAQIAJITI-UHFFFAOYSA-N

• Salmeterol

IUPAC Name: 2-(hydroxymethyl)-4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]phenol | CAS Registry Number: 89365-50-4
Synonyms: Astmerole, Serevent, Aeromax, Salmeterolum [Latin], salmeterol xinafoate, Prestwick3_000945, Salmeterol (USAN/INN), Salmeterol [USAN:BAN:INN], Lopac0_001100, BSPBio_000910, HSDB 7315, MLS000759000, MLS001424322, BPBio1_001002, STOCK6S-48836, C25H37NO4, CID5152, GR 33343X, DB00938, NCGC00025247-02

Molecular Formula:	C₂₅H₃₇NO₄	Molecular Weight:	415.565580 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	5

InChIKey: GIIZNNXWQWCKIB-UHFFFAOYSA-N

• Scopolamine

Synonyms: scopolamine, Beldavrin, Hyoscine, Scopamin, Hyosol, Transderm scop, Scopolamine (INN), Transderm scop (TN), CID5184, C01851, D00138

Molecular Formula:	C₁₇H₂₁NO₄	Molecular Weight:	303.352940 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: STECJAGHUSJQJN-MKXJHAPZSA-N

• Selegiline

IUPAC Name: N-methyl-N-[(2R)-1-phenylpropan-2-yl]prop-2-yn-1-amine | CAS Registry Number: 14611-51-9
Synonyms: selegiline, L-Deprenalin, Eldepryl, Carbex, Emsam, Jumex, Selegyline, Deprenyl, Humex, Yumex, Selegeline Hcl, L-Deprenyl, (-)-Deprenil, (-)-selegiline, Selegilinum [INN-Latin], Emsam (TN), Selegilina [INN-Spanish], Selegiline hydrochloride, Tocris-1095, Selegiline [INN:BAN]

Molecular Formula:	C₁₃H₁₇N	Molecular Weight:	187.280780 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: MEZLKOACVSPNER-GFCCVEGCSA-N

• Sertraline

IUPAC Name: (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine | CAS Registry Number: 79617-96-2
Synonyms: sertraline, Zoloft, Sertralinum [Latin], Sertralina [Spanish], Sertraline (INN), sertraline (Zoloft), Sertraline hydrochloride, Sertraline [Zoloft], Sertraline [INN:BAN], Prestwick3_001014, Spectrum2_000493, Spectrum3_001079, Spectrum4_001232, SULTAMICILLIN TOSYLATE, BSPBio_001167, BSPBio_002698, C17H17Cl2N, KBioGR_001724, HSDB 7037, MLS001195647

Molecular Formula:	C₁₇H₁₇Cl₂N	Molecular Weight:	306.229580 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: VGKDLMBJGBXTGI-SJCJKPOMSA-N

• Sertraline Hydrochloride

IUPAC Name: (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride | CAS Registry Number: 79559-97-0
Synonyms: Zoloft, sertraline, Gladem, Serad, Sertraline hydrochloride, Atruline, Tresleen, Tatig, Lustral, Serlift, Aremis, Sertraline.HCl, Zoloft (TN), Ambap2474, C17H17Cl2N.HCl, Sertraline hydrochloride [USAN], MLS000758929, MLS001401398, S6319_SIGMA, SPECTRUM1505262

Molecular Formula:	C₁₇H₁₈Cl₃N	Molecular Weight:	342.690520 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	1

InChIKey: BLFQGGGGFNSJKA-XHXSRVRCSA-N

• Sibutramine

IUPAC Name: 1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine | CAS Registry Number: 106650-56-0
Synonyms: sibutramine, Reductil, Medaria, Meridia, Sibutraminum [Latin], Sibutramina [Spanish], Spectrum_001961, Sibutramine [INN:BAN], Spectrum2_001686, Spectrum3_001009, Spectrum4_001137, Spectrum5_001440, C17H26ClN, DEA No. 1675, BSPBio_002737, KBioGR_001653, KBioSS_002516, MLS001066619, MLS001401362, SPBio_001612

Molecular Formula:	C₁₇H₂₆ClN	Molecular Weight:	279.848040 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: UNAANXDKBXWMLN-UHFFFAOYSA-N

• Sibutramine hydrochloride

IUPAC Name: 1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine hydrate hydrochloride | CAS Registry Number: 125494-59-9
Synonyms: Meridia, sibutramine, Reductil, Meridia (TN), SIBUTRAMINE HCl, Ambap2725, Sibutramine hydrochloride monohydrate, C17H26ClN.HCl.H2O, HSDB 7209, Sibutramine hydrochloride [USAN], KES-524, Sibutramine hydrochloride (USAN), BTS 54524, BTS-54524, Sibutramine Hydrochloride (monohydrate), CPD000472527, SAM001246592, LS-172628, D02571, (+-)-1-(p-Chlorophenyl)-alpha-isobutyl-N,N-dimethylcyclobutanemethylamine hydrochloride monohydrate

Molecular Formula:	C₁₇H₂₉Cl₂NO	Molecular Weight:	334.324260 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: KFNNPQDSPLWLCX-UHFFFAOYSA-N

• Sildenafil

IUPAC Name: 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one | CAS Registry Number: 139755-83-2
Synonyms: sildenafil, Sildenafil citrate, 1udt, 1xos, VIAGRA, Ambap1012, Spectrum_001555, SpecPlus_000798, Sildenafil [INN:BAN], Spectrum2_001648, Spectrum3_001892, Spectrum4_000586, Spectrum5_001508, BSPBio_003424, KBioGR_001052, KBioSS_002035, MLS001240224, MLS001304737, DivK1c_006894, SPECTRUM1504099

Molecular Formula:	C₂₂H₃₀N₆O₄S	Molecular Weight:	474.576400 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	9

InChIKey: BNRNXUUZRGQAQC-UHFFFAOYSA-N

• Sildenafil Citrate

IUPAC Name: 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one; 2-hydroxypropane-1,2,3-tricarboxylic acid | CAS Registry Number: 171599-83-0
Synonyms: Revatio, Sildenafil citrate, VIAGRA, Penegra, Patrex, Revatio (TN), Wan Ai Ke, Viagra (TN), Ambap5516, Sildenafil citrate [USAN], Sildenafil citrate (JAN/USAN), IUK-92,480, SL-00761, UK 92480-10, UK-92480, LS-111685, UK-92480-10, D02229, 1-((3-(6,7-Dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo(4,3-d)pyrimidin-5-yl)-4-ethoxyphenyl)sulfonyl)-4-methylpiperazine citrate (1:1), Piperazine, 1-((3-(6,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo(4,3-d)pyrimidin-5-yl)-4-ethoxyphenyl)sulfonyl)-4-methyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

Molecular Formula:	C₂₈H₃₈N₆O₁₁S	Molecular Weight:	666.699920 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	16

InChIKey: DEIYFTQMQPDXOT-UHFFFAOYSA-N

• Simvastatin

IUPAC Name: [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate | CAS Registry Number: 79902-63-9
Synonyms: simvastatin, Zocor, Synvinolin, Sinvacor, Sivastin, Colemin, Medipo, Pantok, Denan, Lipex, Labistatin, Cholestat, Nivelipol, Rendapid, Vasotenal, Coledis, Corolin, Lodales, Simovil, Vytorin

Molecular Formula:	C₂₅H₃₈O₅	Molecular Weight:	418.566220 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: RYMZZMVNJRMUDD-HGQWONQESA-N

• Sodium Valproate

IUPAC Name: sodium 2-propylpentanoate | CAS Registry Number: 1069-66-5
Synonyms: Sodium valproate, Valproate sodium, Depakene, Epilim, Convulex, Eurekene, Labazene, Orfiril, Valerin, Natrium valproat, Selenica, Sodium 2-propylpentanoate, Valproic acid sodium salt, Dipropylacetate sodium, Sodium dipropylacetate, Depakene (TN), Selenica (TN), Sodium bispropylacetate, Valproic acid sodium, Valproinsaeure, natrium

Molecular Formula:	C₈H₁₅NaO₂	Molecular Weight:	166.193270 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: AEQFSUDEHCCHBT-UHFFFAOYSA-M

• Solifenacin

IUPAC Name: 1-azabicyclo[2.2.2]octan-8-yl (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate | CAS Registry Number: 242478-37-1
Synonyms: Solifenacin [INN:BAN], UNII-A8910SQJ1U, CID443938, 1-azabicyclo[2.2.2]oct-8-yl (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate, 2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-1-phenyl-,1-azabicyclo(2.2.2)oct-3-yl ester, (R-(R*,S*))-

Molecular Formula:	C₂₃H₂₆N₂O₂	Molecular Weight:	362.464740 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: FBOUYBDGKBSUES-KEKNWZKVSA-N

• Sorafenib

IUPAC Name: 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide | CAS Registry Number: 284461-73-0
Synonyms: Nexavar, sorafenibum, Sorafenib tosylate, Sorafenib [INN], nchembio.117-comp17, STOCK6S-50043, CHEBI:50924, K00597a, BAY 43-9006, BAY 439006, DB00398, NSC-724772, BAY-43-0006, BAY-43-9006, BAY-54-9085, NCGC00167488-01, LS-186067, LS-187021, LS-187788, N-(4-Chloro-3-(trifluoromethyl)phenyl)-N'-(4-(2-(N-methylcarbamoyl)-4-pyridyloxy)phenyl)urea

Molecular Formula:	C₂₁H₁₆ClF₃N₄O₃	Molecular Weight:	464.824950 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	7

InChIKey: MLDQJTXFUGDVEO-UHFFFAOYSA-N

• Spironolactone

IUPAC Name: S-[(7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-yl] ethanethioate | CAS Registry Number: 52-01-7
Synonyms: spironolactone, Aldactone, Verospiron, Spiroctan, Spironocompren, Spirolactone, Verospirone, Euteberol, Spirolang, Melarcon, Spiresis, Spiridon, Uractone, Urusonin, Alderon, Spirone, Xenalon, Acelat, Dira, Spiro-Tablinen

Molecular Formula:	C₂₄H₃₂O₄S	Molecular Weight:	416.573480 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: LXMSZDCAJNLERA-ZHYRCANASA-N

• Stavudine

IUPAC Name: 1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione | CAS Registry Number: 3056-17-5
Synonyms: stavudine, sanilvudine, Zerit, ddeThd, ddeTyd, Zent, Zerut XR, D 4T (nucleoside), Stavudinum [INN-Latin], Sanilvudine (JAN), Dideoxydidehydrothymidine, Estavudina [INN-Spanish], Zerit (TN), 2',3'-Didehydro-3'-deoxythymidine, Stavudine (USAN/INN), 2',3'-Anhydrothymidine, Stavudine [USAN:BAN:INN], 3'-Deoxy-2'-thymidinene, 2'-Thymidinene, 3'-deoxy-, D 4T

Molecular Formula:	C₁₀H₁₂N₂O₄	Molecular Weight:	224.213280 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: XNKLLVCARDGLGL-JGVFFNPUSA-N

• Sumatriptan

IUPAC Name: 1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methylmethanesulfonamide | CAS Registry Number: 103628-46-2
Synonyms: sumatriptan, Sumatran, Imitrex, Sumax, Imigran, Sumatriptanum, Imigran (TN), Imitrex (TN), Sumatriptanum [INN-Latin], SUMATRIPTAN SUCCINATE, BSPBio_002304, MLS001195659, MLS001304742, SPECTRUM1505372, Sumatriptan (JAN/USP/INN), CID5358, C14H21N3O2S, CHEBI:10650, GR 43175X, NP101

Molecular Formula:	C₁₄H₂₁N₃O₂S	Molecular Weight:	295.400440 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: KQKPFRSPSRPDEB-UHFFFAOYSA-N

• Sumatriptan Succinate

IUPAC Name: butanedioic acid; 1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methylmethanesulfonamide | CAS Registry Number: 103628-48-4
Synonyms: Imigran, Imitrex, Migratriptan, Arcoiran, Micralgin, Migratan, Novelian, Permicran, Sumatrin, Sumigrene, Antibet, Diletan, Imijekt, Sumadol, Migmax, Imigrane, Suminat, SUMATRIPTAN SUCCINATE, Sumavel DosePro, Imitrex (TN)

Molecular Formula:	C₁₈H₂₇N₃O₆S	Molecular Weight:	413.488480 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	9

InChIKey: PORMUFZNYQJOEI-UHFFFAOYSA-N

• Sunitinib

IUPAC Name: N-(2-diethylaminoethyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide | CAS Registry Number: 557795-19-4
Synonyms: Sutent, Sunitanib, Sunitinib malate, PDGF TK antagonist, STOCK6S-48542, Su-011248, CHEBI:38940, SU-11248, K00588a, SU11248, NSC736511, SU-11248J, SU 11248, DB01268, NCGC00164631-01, SU-12662, LS-187023, LS-187648, 1H-Pyrrole-3-carboxamide, N-(2-(diethylamino)ethyl)-5-((Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl)-2,4-dimethyl-, 1H-Pyrrole-3-carboxamide, N-[2-(diethylamino)ethyl]-5-[(Z)- (5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-2,4-dimethyl-

Molecular Formula:	C₂₂H₂₇FN₄O₂	Molecular Weight:	398.473783 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: WINHZLLDWRZWRT-ATVHPVEESA-N

• Tacrolimus

Synonyms: tacrolimus, Prograf, Advagraf, Fujimycin, Graceptor, Modigraf, Protopic, Protopy, LCP-Tacro, Ambap5429, Fk-506, BSPBio_001279, MLS000759471, NChemBio.2007.16-comp1, FK506, FK 506, LMPK01000002, FR-900506, IDI1_001040, NCGC00163470-01

Molecular Formula:	C₄₄H₆₉NO₁₂	Molecular Weight:	804.018160 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	12

InChIKey: QJJXYPPXXYFBGM-LFZNUXCKSA-N

• Tadalafil

Synonyms: Cialis, Tadanafil, 1xoz, Tadalafil [USAN], Cialis (TN), ICOS 351, Ic351, HSDB 7303, MLS000759426, MLS001165782, MLS001195644, MLS001424132, Tadalafil (JAN/USAN/INN), IC 351, CID110635, IC-351, DB00820, GF 196960, KS-1117, CPD000466321

Molecular Formula:	C₂₂H₁₉N₃O₄	Molecular Weight:	389.403960 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: WOXKDUGGOYFFRN-IIBYNOLFSA-N

• Tamoxifen

IUPAC Name: 2-[4-[(Z)-1,2-di(phenyl)but-1-enyl]phenoxy]-N,N-dimethylethanamine | CAS Registry Number: 10540-29-1
Synonyms: tamoxifen, trans-Tamoxifen, Nolvadex, Tamoxifen citrate, Crisafeno, Citofen, Istubol, Oncomox, Retaxim, Tamizam, Tamoxen, Valodex, Diemon, Tomaxithen, Zitazonium, Novaldex, Soltamox, ,citrate, Tamoxifen (Z), nchembio.76-comp1

Molecular Formula:	C₂₆H₂₉NO	Molecular Weight:	371.514560 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: NKANXQFJJICGDU-QPLCGJKRSA-N

• Tamulosin Hydrochloride

IUPAC Name: 5-[(2R)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide hydrochloride | CAS Registry Number: 106463-17-6
Synonyms: Flomax, Urolosin, Secotex, Pradif, Josir, Omnic, Alna, Omic, Omix, Expros, Harnal, Amsulosin hydrochloride, Flomax MR, AlnaOCAS, Flomax (TN), Harnal (TN), TAMSULOSIN HYDROCHLORIDE, Ambap2529, C20H28N2O5S.HCl, YM617

Molecular Formula:	C₂₀H₂₉ClN₂O₅S	Molecular Weight:	444.972660 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	7

InChIKey: ZZIZZTHXZRDOFM-XFULWGLBSA-N