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• Vitamin D2

IUPAC Name: (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol | CAS Registry Number: 50-14-6
Synonyms: ergocalciferol, Calciferol, Viosterol, Calciferolum, Crystallina, Mulsiferol, Condocaps, Deltalin, Ercalciol, Ergorone, Fortodyl, Hyperkil, Mykostin, Radiostol, Radsterin, Sterogyl, Vigantol, Davitin, Deratol, Detalup

Molecular Formula:	C₂₈H₄₄O	Molecular Weight:	396.648360 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: MECHNRXZTMCUDQ-RKHKHRCZSA-N

• Vitamin D3

IUPAC Name: (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol | CAS Registry Number: 67-97-0
Synonyms: cholecalciferol, Calciol, Colecalciferol, Ricketon, Trivitan, Vigorsan, Deparal, Colecalcipherol, Arachitol, Delsterol, Vigantol, Quintox, Rampage, Ebivit, Oleovitamin D3, Cholecalciferolum, D3-Vicotrat, D3-Vigantol, FeraCol, Vi-de-3-hydrosol

Molecular Formula:	C₂₇H₄₄O	Molecular Weight:	384.637660 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: QYSXJUFSXHHAJI-YRZJJWOYSA-N

• Vitamin D4

IUPAC Name: (1S,3Z)-3-[(2E)-2-[(1R,7aR)-1-(5,6-dimethylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol | CAS Registry Number: 511-28-4
Synonyms: EINECS 208-127-5, CID6450185, 9,10-Secoergosta-5(Z),7(E),10(19)-trien-3beta-ol, 9,10-Secocholesta-5,7,10(9)-trien-3-ol, 24-methyl-

Molecular Formula:	C₂₈H₄₆O	Molecular Weight:	398.664240 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: DIPPFEXMRDPFBK-MNURULJVSA-N

• Vitamin E

IUPAC Name: 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol | CAS Registry Number: 2074-53-5
Synonyms: alpha-Tocopherol, Evitaminum, Phytogermine, Profecundin, Syntopherol, VITAMIN E, Waynecomycin, Almefrol, Denamone, Emipherol, Etamican, Tokopharm, Vascuals, Vitayonon, Viteolin, Ephynal, Eprolin, Epsilan, Etavit, Ilitia

Molecular Formula:	C₂₉H₅₀O₂	Molecular Weight:	430.706100 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: GVJHHUAWPYXKBD-UHFFFAOYSA-N

• Vitamin E (CAS: 21-59-0)

• Vitamin E succinate

IUPAC Name: 4-oxo-4-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]butanoic acid | CAS Registry Number: 4345-03-3
Synonyms: vitamin e succinate, Vitamine E succinate, alpha-Tocopheryl succinate, Vitamin-E Dragees, tocopherol succinate, Dal-E, Vitamin E hemisuccinate, Vitamin E acid succinate, alpha-tocopherol succinate, alpha-Tocopherol hemisuccinate, alpha-Tocopherol, succinate, alpha-Tocopheryl acid succinate, CCRIS 4734, alpha-Tocopheryl succinate, D-, D-alpha Tocopherol Succinate, D-alpha-Tocopherol succinate, .alpha.-Tocopherol succinate, D-ALPHA-TOCOPHERYL SUCCINATE, 47782_SUPELCO, D-alpha tocopheryl acid succinate

Molecular Formula:	C₃₃H₅₄O₅	Molecular Weight:	530.778860 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: IELOKBJPULMYRW-NJQVLOCASA-N

• Vorinostat

IUPAC Name: N'-hydroxy-N-phenyloctanediamide | CAS Registry Number: 149647-78-9
Synonyms: Zolinza, SAHA, SAHA cpd, Vorinostat MSD, suberoylanilide hydroxamic acid, Suberanilohydroxamic acid, M344 compound, Zolinza (TN), Vorinostat (USAN), Vorinostat [USAN], NHNPODA, nchembio815-comp18, N-hydroxy-N'-phenyloctanediamide, 1zz1, CCRIS 8456, MLS001065855, N-Hyrdroxy-N'-phenyloctanediamide, Octanediamide, N-hydroxy-N'-phenyl-, SKI390, N'-hydroxy-N-phenyloctanediamide

Molecular Formula:	C₁₄H₂₀N₂O₃	Molecular Weight:	264.320200 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: WAEXFXRVDQXREF-UHFFFAOYSA-N

• Warfarin Sodium

IUPAC Name: sodium 2-oxo-3-(3-oxo-1-phenylbutyl)chromen-4-olate | CAS Registry Number: 129-06-6
Synonyms: Warfarin sodium, Jantoven, Coumadin, Marevan, Sodium coumadin, Sodium warfarin, Prothromadin, Aldocumar, Athrombin, Coumadine, Panwarfin, Tintorane, Warcoumin, Warfilone, Dicusat, Marevam, Orfarin, Varfine, Simarc, Waran

Molecular Formula:	C₁₉H₁₅NaO₄	Molecular Weight:	330.309770 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: KYITYFHKDODNCQ-UHFFFAOYSA-M

• YK-4-279

IUPAC Name: 4,7-dichloro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one | CAS Registry Number: 1037184-44-3
Synonyms: CHEMBL2011500, SureCN3486735, CTK8E8858, MolPort-009-019-668, CS-0667, YK4-279, NCGC00346886-01, HY-14507, KB-81520, Y0289, BRD-A62182663-001-02-2, YK-4-279|1037184-44-3

Molecular Formula:	C₁₇H₁₃Cl₂NO₄	Molecular Weight:	366.195420 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: HLXSCTYHLQHQDJ-UHFFFAOYSA-N

• Z-Orn(Boc)-OH

IUPAC Name: 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)pentanoic acid | CAS Registry Number: 7733-29-1
Synonyms: NSC336232

Molecular Formula:	C₁₈H₂₆N₂O₆	Molecular Weight:	366.408840 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: RWQCKACYKKSOKK-UHFFFAOYSA-N

• Zoledronic acid monohydrate

IUPAC Name: (1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid hydrate | CAS Registry Number: 165800-06-6
Synonyms: Zometa, Zoledronic acid, Zoledronate, Aclasta, Reclast, Orazol, Zoledronic acid hydrate, Zometa (TN), Zoledronic acid (USAN), UNII-6XC1PAD3KF, Zoledronic acid hydrate (JAN), C5H10N2O7P2.H2O, MER-101, ZOL-446, CGP-42446A, CGP-42446B, CGP-42446, CID121586, LS-173596, D01968

Molecular Formula:	C₅H₁₂N₂O₈P₂	Molecular Weight:	290.104902 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	9

InChIKey: FUXFIVRTGHOMSO-UHFFFAOYSA-N

• Zolpidic Acid

IUPAC Name: 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid

Molecular Formula:	C₁₇H₁₆N₂O₂	Molecular Weight:	280.321140 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: JHGHLTNIQXXXNV-UHFFFAOYSA-N

• Zuclopenthixol

IUPAC Name: 2-[4-[(3Z)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol | CAS Registry Number: 53772-83-1
Synonyms: Clopixol, Cisordinol, Zuclopentixol, Zuclopenthixolum, Acuphase, Zuclopentixol [Spanish], Zuclopenthixolum [Latin], CLOPENTHIXOL, Clopentixol cis-(Z)-, UNII-47ISU063SG, Clopenthixolum, cis-Clopenthixol, Zuclopenthixol [BAN:INN], EINECS 258-758-5, Clopenthixol (USAN), CHEBI:51364, AC1NSKQX, Zuclopenthixol hydrochloride, Zuclopenthixol HCl, Zuclopenthixol dihydrochloride

Molecular Formula:	C₂₂H₂₅ClN₂OS	Molecular Weight:	400.965 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: WFPIAZLQTJBIFN-DVZOWYKESA-N

• Zuclopenthixol Acetate

IUPAC Name: 2-[4-[(3Z)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethyl acetate | CAS Registry Number: 85721-05-7
Synonyms: Zuclopenthixol acetate, Clopixol-Acuphase, Clopenthixol acetate ester, EINECS 288-415-5, (Z)-4-(3-(2-Chloro-9H-thioxanthen-9-ylidene)propyl)piperazine-1-ethyl acetate, Clopixol Acuphase, Cisordinol Acutard, Ciatyl-Z Acuphase, Cisordinol-acutard (TN), AC1O5M3E, SureCN1651216, UNII-349S2ZHF05, AKOS015841102, DB08919, LS-186892, LS-187546, D08691

Molecular Formula:	C₂₄H₂₇ClN₂O₂S	Molecular Weight:	443.001380 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: OXAUOBQMCDIVPQ-IOXNKQMXSA-N

• (+/-)-Benzyloxycarbonyl-alpha-phosphonoglycine trimethyl ester

IUPAC Name: methyl 2-dimethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate | CAS Registry Number: 88568-95-0
Synonyms: 376353_ALDRICH, ()-Trimethyl Z-alpha-phosphonoglycinate, Z-alpha-Phosphonoglycine trimethyl ester, ()-Z-alpha-Phosphonoglycine trimethyl ester, N-Benzyloxycarbonyl trimethylphosphonoglycine, UX00003621, ()-Methyl 2-benzyloxycarbonylamino-2-(dimethoxyphosphinyl) acetate

Molecular Formula:	C₁₃H₁₈NO₇P	Molecular Weight:	331.258281 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	7

InChIKey: GSYSFVSGPABNNL-UHFFFAOYSA-N

• (-)-Menthol

IUPAC Name: (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol | CAS Registry Number: 2216-51-5
Synonyms: l-Menthol, (-)-menthol, Levomenthol, Hexahydrothymol, Menthacamphor, Menthomenthol, l-(-)-Menthol, Racementhol, MENTHOL, Menthol natural, Menthol racemic, Racemic menthol, Peppermint camphor, rac-Menthol, dl-Menthol, U.S.P. Menthol, Menthol, l-, p-Menthan-3-ol, Headache crystals, d,l-Menthol

Molecular Formula:	C₁₀H₂₀O	Molecular Weight:	156.265200 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: NOOLISFMXDJSKH-KXUCPTDWSA-N

• (11BETA,17A)-11,17-DIHYDROXY-3-OXOANDROSTA-1,4-DIENE-17-CARBOXYLIC ACID

IUPAC Name: (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylic acid | CAS Registry Number: 37927-29-0
Synonyms: UNII-I3T12NR296, Prednienic acid, AC1OF4W3, SureCN1685771, Pj 90, I3T12NR296, EINECS 253-719-9, (11beta,17alpha)-11,17-Dihydroxy-3-oxoandrosta-1,4-diene-17-carboxylic acid, (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylic acid

Molecular Formula:	C₂₀H₂₆O₅	Molecular Weight:	346.417440 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: MCKJPJYRCPANCC-XLXYOEISSA-N

• (1R,2R)-(-)-1,2-Cyclohexanedicarboxylic acid

IUPAC Name: (1R,2R)-cyclohexane-1,2-dicarboxylic acid | CAS Registry Number: 46022-05-3
Synonyms: Hexahydroorthophthalic acid, trans-Hexahydrophthalic acid, 147516_ALDRICH, cyclohexane-1,2-dicarboxylic acid, ENDOXO-HEXAHYDROPHTHALIC ACID, CID720895, M-1016R, trans-1,2-Cyclohexanedicarboxylic acid, trans-Cyclohexane-1,2-dicarboxylic acid, LS-56775, 2305-32-0

Molecular Formula:	C₈H₁₂O₄	Molecular Weight:	172.178480 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: QSAWQNUELGIYBC-PHDIDXHHSA-N

• (1R,2R)-(-)-2-Amino-1-phenyl-1,3-propanediol

IUPAC Name: (1R,2R)-2-amino-1-phenylpropane-1,3-diol | CAS Registry Number: 46032-98-8
Synonyms: 248886_ALDRICH, EINECS 256-250-8, CID6452039, ST5405908, (R(R*,R*))-2-Amino-1-phenylpropane-1,3-diol, (1R,2R)-(−)-2-Amino-1-phenyl-1,3-propanediol

Molecular Formula:	C₉H₁₃NO₂	Molecular Weight:	167.205020 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: JUCGVCVPNPBJIG-RKDXNWHRSA-N

• (1R,4S)-4-Aminocyclopentene-1-methanol hydrochloride

IUPAC Name: [(1R,4S)-4-aminocyclopent-2-en-1-yl]methanol;hydrochloride | CAS Registry Number: 287717-44-6
Synonyms: ((1R,4S)-4-Aminocyclopent-2-en-1-yl)methanol hydrochloride, SureCN5996169, MolPort-020-168-314, AKOS016010611, AK119658, KB-204917, EN300-93474

Molecular Formula:	C₆H₁₂ClNO	Molecular Weight:	149.618580 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	2

InChIKey: DFJSXBUVSKWALM-RIHPBJNCSA-N

• (1S-cis)-4-Amino-2-cyclopentene-1-methanol D-hydrogen tatrate

IUPAC Name: [(1S,4R)-4-aminocyclopent-2-en-1-yl]methanol;(2S,3S)-2,3-dihydroxybutanedioic acid | CAS Registry Number: 229177-52-0
Synonyms: ((1S,4R)-4-Aminocyclopent-2-en-1-yl)methanol (2S,3S)-2,3-dihydroxysuccinate, AKOS015854142, AKOS016010729, AK119645, KB-204921, (1S-cis)-4-Amino-2-cyclopentene-1-methanol D-Tartrate, (1S,4R)-cis-4-Amino-2-cyclopentene-1-methanol D-Tartrate, (1S,4R)-cis-4-Amino-2-cyclopentene-1-methanol (2S,3S)-2,3-Dihydroxybutanedioate

Molecular Formula:	C₁₀H₁₇NO₇	Molecular Weight:	263.244480 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	8

InChIKey: LTSTZOJHLZNDFG-ZGMNSGLWSA-N

• (2,3,4,5-Bis-o-(1-methylethylidene)- b-D-fructopyranose) (CAS: 20880-92-8)

• (2R,5S)-5-(4-amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-Oxathiolane-2-carboxylic acid, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester

IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-1,3-oxathiolane-2-carboxylate | CAS Registry Number: 764659-72-5
Synonyms: (2S,5R)-(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolane-2-carboxylate, SureCN2488632, AKOS016010265, AK114730, AK142210, (2R,5S)-(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolane-2-carboxylate

Molecular Formula:	C₁₈H₂₆FN₃O₄S	Molecular Weight:	399.480143 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: AUTCQXVTOIJYOT-URSAWGJDSA-N

• (3r)-N-(tert-Butoxycarbonyl)-3-Amino-4-(2,4,5-Trifluorophenyl)butanoic Acid

IUPAC Name: (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoic acid | CAS Registry Number: 486460-00-8
Synonyms: (3R)-N-(tert-Butoxycarbonyl)-3-amino-4-(2,4,5-trifluorophenyl)butanoic Acid, Boc-(R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoic acid, (R)-N-Boc-3-Amino-4-(2,4,5-trifluorophenyl)butanoic acid, (3R)-N-(tert-Butoxycarbonyl)-3-amino-4-(2,4,5-trifluorophenyl)butanoicacid, AC1OGBKG, PubChem18161, SureCN342707, BEN621, MolPort-003-794-892, ANW-45258, AC-1034, AG-B-16374, LS30286, (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoic Acid, AK-35304, KB-01605, AB1004600, FT-0649686, X1035, X1036

Molecular Formula:	C₁₅H₁₈F₃NO₄	Molecular Weight:	333.302930 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	7

InChIKey: TUAXCHGULMWHIO-SECBINFHSA-N

• (3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine

IUPAC Name: [(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-1-ium-3-yl]methanol | CAS Registry Number: 105812-81-5
Synonyms: ZINC02529787, CID7016838, TL8000217, (3S,4R)-4-(4'-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine

Molecular Formula:	C₁₃H₁₉FNO+	Molecular Weight:	224.294463 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: CXRHUYYZISIIMT-AAEUAGOBSA-O

• (±)-Equol

IUPAC Name: 3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol | CAS Registry Number: 94105-90-5
Synonyms: 3-(4-hydroxyphenyl)chroman-7-ol, (+/-)-Equol, 7,4'-Homoisoflavane, (R,S)-Equol, 3-(4-hydroxyphenyl)-7-chromanol, 4',7-Dihydroxyisoflavane, 7,4'-dihydroxyisoflavan, ST50331725, 3,4-Dihydro-3-(4-hydroxyphenyl)-2H-1-benzopyran-7-ol, (R)-Equol, Rac-Equol, ()-Equol, AC1L8KFS, SureCN43648, 4',7-Dihydroxyflavandiol, SureCN677723, AC1Q7A6Q, UNII-2RZ8A7D0E8, Equol, (+/-)-, CHEMBL1957037

Molecular Formula:	C₁₅H₁₄O₃	Molecular Weight:	242.269860 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: ADFCQWZHKCXPAJ-UHFFFAOYSA-N

• (D)-(+)-Methylalpha-(2-Thienylethamino)(2-Chlorophenyl)acetate.HCl

IUPAC Name: [2-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-yl]methanol | CAS Registry Number: 61337-89-1
Synonyms: 1-(3-hydroxymethylpyridin-2-yl)-4-methyl-2-phenylpiperazine, 337376-18-8, 2-(4-Methyl-2-phenyl-1-piperazinyl)-3-pyridinemethanol, 1-(3-hydroxidmethylpyridine)-2-phenyl-4-methyl-piperazine, Mirtazapine Impurity B, PubChem20817, SureCN1325599, AGN-PC-00C01S, CTK4H1148, MolPort-005-935-437, SBB063505, AKOS010505275, AG-F-14040, AG-L-63314, AC-15710, AK-26183, AK113415, I132, KB-147024, KB-163064

Molecular Formula:	C₁₇H₂₁N₃O	Molecular Weight:	283.368140 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: PYZPABZGIRHQTA-UHFFFAOYSA-N

• (L)-3,5-Diiodotyrosine

IUPAC Name: 2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid | CAS Registry Number: 66-02-4
Synonyms: Diiodotyrosine, Jodgorgosaeure, Apothyrin, Flaianina, Jodgorgon, Agontan, Dityrin, Cemiod, Itir, Iodogorgoic acid, Iodogorgonic acid, Gorgoic acid, diiodo-, 3,5-Diiodo-L-tyrosine, 3,5-DIIODOTYROSINE, Gorgonic acid, diiodo-, 3,5-Diiodotyrocine, Tyrosine, 3,5-diiodo-, DL-3,5-Diiodotyrosine, L-Tyrosine, 3,5-diiodo-, 3,5-L-Diiodotyrosine

Molecular Formula:	C₉H₉I₂NO₃	Molecular Weight:	432.981600 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: NYPYHUZRZVSYKL-UHFFFAOYSA-N

• (R)-(+)-2,2-Dimethyl-1,3-dioxolane-4-carboxaldehyde

IUPAC Name: (4R)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde | CAS Registry Number: 15186-48-8
Synonyms: 454486_ALDRICH, NSC89869, SL-02829, TL8001119, (R)-()-2,2-Dimethyl-1,3-dioxolane-4-carboxaldehyde

Molecular Formula:	C₆H₁₀O₃	Molecular Weight:	130.141800 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: YSGPYVWACGYQDJ-YFKPBYRVSA-N

• (R)-(+)-3-Chloro-1-phenyl-1-propanol

IUPAC Name: (1R)-3-chloro-1-phenylpropan-1-ol | CAS Registry Number: 100306-33-0
Synonyms: (R)-(+)-3-Chloro-1-phenylpropanol, (1R)-3-chloro-1-phenylpropan-1-ol, (1R)-3-Chloro-1-phenyl-propan-1-ol, (R)-3-chloro-1-phenylpropan-1-ol, (R)-3-Chloro-1-phenyl-propan-1-ol, (R)-(+)-alpha-(2-Chloroethyl)benzyl alcohol, R(+)-3-chloro-1-phenylpropanol, alpha-(2-Chloroethyl)benzyl alcohol, PubChem5738, AC1LD4Y4, SureCN1142222, KSC496M4J, 338419_ALDRICH, (R)-3-Chloro-1-phenylpropanol, CTK3J6644, MolPort-001-761-227, ACT02820, JFD00616, ANW-14226, ZINC00160290

Molecular Formula:	C₉H₁₁ClO	Molecular Weight:	170.636040 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: JZFUHAGLMZWKTF-SECBINFHSA-N

• (R)-1-Methyl-3-pyrrolidinol

IUPAC Name: (3R)-1-methylpyrrolidin-3-ol | CAS Registry Number: 104641-60-3
Synonyms: (R)-(-)-1-Methyl-3-pyrrolidinol, (R)-3-Hydroxy-1-methyl-pyrrolidine, (R)-(-)-1-Methyl-3-hydroxypyrrolidine, (3R)-1-methylpyrrolidin-3-ol, (R)-1-Methyl-pyrrolidin-3-ol, (R)-3-Hydroxy-1-methylpyrrolidine, AG-D-17109, (R)-(-)-3-Hydroxy-N-methylpyrrolidine, PubChem13969, AC1OCVM7, R-1MEHP, SureCN133294, (R)1-methyl-3-pyrrolidinol, (R)-1-methylpyrrolidin-3-ol, 647241_ALDRICH, Jsp000457, CTK4A3190, MolPort-001-768-440, ACN-S002117, ACT05087

Molecular Formula:	C₅H₁₁NO	Molecular Weight:	101.146940 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: FLVFPAIGVBQGET-RXMQYKEDSA-N

• (R)-3-(Cyclopropylmethyl)morpholine

IUPAC Name: (3R)-3-(cyclopropylmethyl)morpholine | CAS Registry Number: 1336031-72-1
Synonyms: AK130879, KB-210042

Molecular Formula:	C₈H₁₅NO	Molecular Weight:	141.210800 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: PMRUVUSSJRXOGM-MRVPVSSYSA-N

• (R)-3-Boc-aminopiperidine

IUPAC Name: tert-butyl N-[(3R)-piperidin-3-yl]carbamate | CAS Registry Number: 309956-78-3
Synonyms: R-3-(Boc-amino)piperidine, FS011283, TL8002374

Molecular Formula:	C₁₀H₂₀N₂O₂	Molecular Weight:	200.278000 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: WUOQXNWMYLFAHT-MRVPVSSYSA-N

• (r)-5-Bromo-3-((1-Methylpyrrolidin-2-Yl)methyl)-1h-Indole

IUPAC Name: benzyl (2R)-2-(5-bromo-1H-indole-3-carbonyl)pyrrolidine-1-carboxylate | CAS Registry Number: 143322-56-9
Synonyms: (R)-Benzyl 2-(5-bromo-1H-indole-3-carbonyl)pyrrolidine-1-carboxylate, SureCN707001, CTK4C3572, MolPort-005-941-654, 1-Pyrrolidinecarboxylic acid,2-[(5-bromo-1H-indol-3-yl)carbonyl]-, phenylmethyl ester, (2R)-, ANW-68324, AKOS015900097, AG-D-85706, AK-79792, KB-210268, I14-10177, R-3-(N-Benzyloxycarbonylpyrrolidin-2-ylcarbonyl)-5-bromo-1H-indole, (2R)-2-[(5-Bromo-1H-indol-3-yl)carbonyl]-1-pyrrolidinecarboxylic Acid Phenylmethyl Ester, 1-Pyrrolidinecarboxylicacid, 2-[(5-bromo-1H-indol-3-yl)carbonyl]-, phenylmethyl ester, (R)-;benzyl (2R)-2-[(5-bromo-1H-indol-3-yl)carbonyl]pyrrolidine-1-carboxylate;

Molecular Formula:	C₂₁H₁₉BrN₂O₃	Molecular Weight:	427.291160 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: CWHKVBJSRGJFFN-LJQANCHMSA-N

• (R)-5-bromo-3-(1-methyl-2-pyrrolidinyl methyl)-1H-indole

IUPAC Name: 5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole | CAS Registry Number: 143322-57-0
Synonyms: (R)-5-bromo-3-((1-methylpyrrolidin-2-yl)methyl)-1H-indole, (R)-5-Bromo-3-(N-methylpyrrolidine-2-ylmethyl)-1H-Indole, (R)-5-Bromo-3-[(1-methyl-2-pyrrolidinyl)methyl]-1H-indole, 5-bromo-3-[[(2R)-1-methyl-2-pyrrolidinyl]methyl]-1H-Indole, PubChem2116, -1H-INDOLE, SureCN697582, (R)-5-Bromo-3-(1-methyl-pyrrolidin-2-ylmethyl)-1H-indole, Jsp002542, CTK6I2568, MolPort-020-014-401, ACT04784, ANW-57742, AKOS015834491, AKOS015895955, AG-C-29939, AM84391, LS30062, RL01784, AK-49397

Molecular Formula:	C₁₄H₁₇BrN₂	Molecular Weight:	293.202180 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: JCXOJXALBTZEFE-GFCCVEGCSA-N

• (S)-(+)-2,2,-Dimethylcyclopropane carboxamide

IUPAC Name: 2,2-dimethylcyclopropane-1-carboxamide | CAS Registry Number: 75885-58-4
Synonyms: 2,2-Dimethylcyclopropanecarboxamide, EINECS 278-334-3, (S)-2,2-Dimethylcyclopropanecarboxamide, 2,2-Dimethyl-cyclopropanecarboxylic acid amide

Molecular Formula:	C₆H₁₁NO	Molecular Weight:	113.157640 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: YBZQRYWKYBZZNT-UHFFFAOYSA-N

• (S)-(+)-Ibuprofen

IUPAC Name: (2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid | CAS Registry Number: 51146-56-6
Synonyms: ibuprofen, Seractil, DEXIBUPROFEN, d-Ibuproten, Atriscal, Dolomin, DexOptifen, d-Ibuprofen, Dexibuprofen lysine, (S)-Ibuprofen, (+)-Ibuprophen, (+)-Ibuprofen, S(+)-Ibuprofen, (S)-()-Ibuprofen, (+)-(S)-Ibuprofen, Lopac-I-106, Prestwick0_000907, Prestwick1_000907, Prestwick2_000907, Prestwick3_000907

Molecular Formula:	C₁₃H₁₈O₂	Molecular Weight:	206.280820 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: HEFNNWSXXWATRW-JTQLQIEISA-N

• 80029-43-2

IUPAC Name: 1-hydroxybenzotriazole;hydrate | CAS Registry Number: 80029-43-2
Synonyms: 1-Hydroxybenzotriazole hydrate, 123333-53-9, 1-hydroxybenzotriazole monohydrate, HOBt Hydrate, 1h-1,2,3-benzotriazol-1-ol hydrate, 1-hydroxy benzotriazole monohydrate, SBB000114, AG-D-50208, hobt monohydrate, hobt (monohydrate), benzotriazolol, hydrate, AC1MDUQK, ACMC-209aon, SureCN5523, benzotriazolol, oxamethane, n-hydroxybenzotriazole h2o, KSC490O8P, 54802_ALDRICH, 1-oxidanylbenzotriazole hydrate, 157260_ALDRICH

Molecular Formula:	C₆H₇N₃O₂	Molecular Weight:	153.138680 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: PJUPKRYGDFTMTM-UHFFFAOYSA-N

• [2-(1,3-Dioxan-2-yl)ethyl]triphenylphosphonium bromide

IUPAC Name: 2-(1,3-dioxan-2-yl)ethyl-triphenylphosphanium bromide | CAS Registry Number: 69891-92-5
Synonyms: 219592_ALDRICH, EINECS 274-189-5, ST5408756, 2-(1,3-Dioxan-2-yl)ethyltriphenylphosphonium bromide

Molecular Formula:	C₂₄H₂₆BrO₂P	Molecular Weight:	457.339801 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: XETDBHNHTOJWPZ-UHFFFAOYSA-M

• [bis(trifluoroacetoxy)iodo]benzene

IUPAC Name: [phenyl-(2,2,2-trifluoroacetyl)oxy-$l^{3}-iodanyl] 2,2,2-trifluoroacetate | CAS Registry Number: 2712-78-9
Synonyms: PIFA, 232130_ALDRICH, 15230_FLUKA, [Bis(trifluoroacetoxy)iodo]benzene, Phenylbis(trifluoroacetato-O)iodine, Bis(I,I-trifluoroacetoxy)iodobenzene, EINECS 220-308-0, ZINC04284478, Iodobenzene I,I-bis(trifluoroacetate), Iodine, phenylbis(trifluoroacetato-O)-, BTI

Molecular Formula:	C₁₀H₅F₆IO₄	Molecular Weight:	430.039189 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	10

InChIKey: PEZNEXFPRSOYPL-UHFFFAOYSA-N

• 1,1,1,3,3,3-Hexamethyldisilazane

IUPAC Name: [dimethyl-(trimethylsilylamino)silyl]methane | CAS Registry Number: 999-97-3
Synonyms: Hexamethyldisilazane, Hexamethylsilazane, HMDS, Tri-Sil, Silazane HMN, Bis(trimethylsilyl)amine, HEXAMETHYLSIDILIZANE, Lithium hexamethyldisilazane, N-Lithiohexamethyldisilazane, DISILAZANE,HEXAMETHYL, CCRIS 2456, HSDB 7226, Disilazane, 1,1,1,3,3,3-hexamethyl-, Bis(trimethylsilyl)amidolithium, Dow Corning product Z-6079, Lithiumbis(trimethylsilyl)amine, 379212_ALDRICH, 40215_RIEDEL, 440191_ALDRICH, Bis(trimethylsilyl)amido lithium

Molecular Formula:	C₆H₁₉NSi₂	Molecular Weight:	161.392760 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: FFUAGWLWBBFQJT-UHFFFAOYSA-N

• 1,1,4,4,6-Pentamethyl-1,2,3,4-Tetrahydronaphthalene

IUPAC Name: 1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene | CAS Registry Number: 6683-48-3
Synonyms: EINECS 229-724-7, CID81187, TL 00839, 1,2,3,4-Tetrahydro-1,1,4,4,6-pentamethylnaphthalene

Molecular Formula:	C₁₅H₂₂	Molecular Weight:	202.335180 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: AISXBZVAYNUAKB-UHFFFAOYSA-N

• 1,1-Bis(4-hydroxyphenyl)cyclohexane

IUPAC Name: 4-[1-(4-hydroxyphenyl)cyclohexyl]phenol | CAS Registry Number: 843-55-0
Synonyms: Bisphenol Z, ChemDiv3_000055, Oprea1_530767, 4,4'-Cyclohexylidenebisphenol, 450421_ALDRICH, Phenol, 4,4'-cyclohexylidenebis-, NSC29881, NSC50761, ZINC00225610, IDI1_019373, NCGC00172604-01, ST5319718, BPZ

Molecular Formula:	C₁₈H₂₀O₂	Molecular Weight:	268.350200 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: SDDLEVPIDBLVHC-UHFFFAOYSA-N

• 1,1-Cyclohexanediacetic Acid

IUPAC Name: 2-[1-(carboxymethyl)cyclohexyl]acetic acid | CAS Registry Number: 4355-11-7
Synonyms: 1,1-Cyclohexanediacetic acid, Cyclohexanediacetic acid, 1,1-Cyclohexane diacetic acid, Oprea1_388207, 171344_ALDRICH, CID78061, NSC39839, EINECS 224-427-9, NSC169443, [1-(carboxymethyl)cyclohexyl]acetic acid, AN-829/41297703, T5641089, 9355-11-7

Molecular Formula:	C₁₀H₁₆O₄	Molecular Weight:	200.231640 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: YQPCHPBGAALCRT-UHFFFAOYSA-N

• 1,1-Diphenylhydrazine hydrochloride

IUPAC Name: 1,1-di(phenyl)hydrazine | CAS Registry Number: 530-47-2
Synonyms: Hydrozobenzene, N,N-Diphenylhydrazine, Hydrazine, 1,1-diphenyl-, Hydrazine, 1,1-diphenyl, 1,1-DIPHENYLHYDRAZINE, alpha,alpha-Diphenylhydrazine, CCRIS 4562, HSDB 2916, .alpha.,.alpha.-Diphenylhydrazine, NCI-C01854, EINECS 208-483-1, BB_SC-0087, CID10739, BRN 0957349, ZINC00388098, AI3-23023, NCGC00164042-01, LS-76776, TL8000604, 4-15-00-00055 (Beilstein Handbook Reference)

Molecular Formula:	C₁₂H₁₂N₂	Molecular Weight:	184.237080 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: YHYKLKNNBYLTQY-UHFFFAOYSA-N

• 1,2,3,6,7,11B-Hexahydro-4H-Pyrazino(2,1-A)Isoquinoline-4-One

IUPAC Name: 1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one | CAS Registry Number: 61196-37-0
Synonyms: Praziquanamine, 2,3,6,7-Tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4(11bH)-one, DL-Praziquanamine, rac-Praziquanamine, SureCN695919, AC1O56WG, MolPort-008-512-150, AKOS015948376, MCULE-6258284070, AK-35844, KB-09963, ( inverted exclamation markA)-Praziquanamine, FT-0673998, 1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one, 1,2,3,6,7,11B-hexahydro-4h-pyrazino(2,1-a)isoquinoline-4-one, 1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one, 4H-Pyrazino(2,1-a)isoquinolin-4-one, 1,2,3,6,7,11b-hexahydro-, (+-)-, 55375-90-1

Molecular Formula:	C₁₂H₁₄N₂O	Molecular Weight:	202.252360 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: GTRDOUXISKJZGL-UHFFFAOYSA-N

• 1,2,3,9-Tetrahydro-9-methyl-4H-carbazole-4-one

IUPAC Name: 9-methyl-2,3-dihydro-1H-carbazol-4-one | CAS Registry Number: 27387-31-1
Synonyms: 1,2,3,4-Tetrahydro-9-methylcarbazol-4-one, 1,2,3,9-TETRAHYDRO-9-METHYL-4H-CARBAZOLE-4-ONE, 9-Methyl-2,3,4,9-tetrahydro-1H-carbazol-4-one, 9-Methyl-1,2,3,9-tetrahydro-4H-carbazol-4-one, 9-methyl-2,3-dihydro-1H-carbazol-4-one, 9-methyl-1,2,3,4-tetrahydro-4-oxocarbazole, 9-Methyl-1,2,3,9-tetrahydro-carbazol-4-one, 9-Methyl-1,2,3,9-tetrahydro-carbazol-4-, 4H-Carbazol-4-one, 1,2,3,9-tetrahydro-9-methyl-, 9-methyl-1,2,3,9-tetrahydro-4aH-carbazol-4-one, ZERO/001167, PubChem9952, AGN-PC-0CUJQD, AC1LCC4S, Maybridge1_001957, SureCN1146660, Ondansetron related compound C, UNII-267IW42T7Z, AC1Q3Z59, Jsp005325

Molecular Formula:	C₁₃H₁₃NO	Molecular Weight:	199.248420 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: HHJUJCWZKJMCLC-UHFFFAOYSA-N

• 1,2-DISTEAROYL-SN-GLYCERO-3-PHOSPHO-RAC-GLYCEROL SODIUM SALT

IUPAC Name: disodium;[(2R)-3-(2,3-dihydroxy-1-phosphonatopropoxy)-2-octadecanoyloxypropyl] octadecanoate | CAS Registry Number: 67232-82-0
Synonyms: SCHEMBL4186163, 1,2-distearoyl-sn-glycero-3-phosphoglycerol sodium salt, 1,2-Distearoyl-sn-glycero-3-phospho-sn-glycerol sodium salt

Molecular Formula:	C₄₂H₈₁Na₂O₁₀P	Molecular Weight:	823.053 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	10

InChIKey: ZOXJZYRBDFKRSW-SKEZMDNJSA-L

• 1,3,5-Trihydroxyadamantane

IUPAC Name: adamantane-1,3,5-triol | CAS Registry Number: 99181-50-7
Synonyms: 1,3,5-Adamantanetriol, Adamantane-1,3,5-triol, ACMC-209sbw, SureCN424435, CTK3I6477, ANW-40986, AKOS015840960, AG-I-01129, AK114756, KB-250625, Tricyclo[3.3.1.13,7]decane-1,3,5-triol

Molecular Formula:	C₁₀H₁₆O₃	Molecular Weight:	184.232240 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: MCYBYTIPMYLHAK-UHFFFAOYSA-N

• 1,3-Dichloroacetone

IUPAC Name: 1,3-dichloropropan-2-one | CAS Registry Number: 534-07-6
Synonyms: s-Dichloroacetone, sym-Dichloroacetone, 1,3-Dichloropropanone, sGQDLHbqBRwSP@, Bis(chloromethyl) ketone, 2-Propanone, 1,3-dichloro-, Bis(chloromethyl)ketone, 1,3-Dichloro-2-propanone, Acetone, 1,3-dichloro, Ambap2889, BISCHLOROMETHYL KETONE, .alpha.,.alpha.'-Dichloroacetone, CCRIS 1942, 1,3-Dichloroacetona [Spanish], 1,3-Dichloroacetone solution, Dichloro-1,3 acetone [French], HSDB 6391, 168548_ALDRICH, NSC 8745, .alpha.,.gamma.-Dichloroacetone

Molecular Formula:	C₃H₄Cl₂O	Molecular Weight:	126.969260 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: SUNMBRGCANLOEG-UHFFFAOYSA-N