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• 3(R)-Hydroxymethylmorpholine

IUPAC Name: [(3R)-morpholin-3-yl]methanol hydrochloride | CAS Registry Number: 211053-49-5
Synonyms: AmbTiH30260, 3(R)-Hydroxymethylmorpholine HCl, H30260

Molecular Formula:	C₅H₁₂ClNO₂	Molecular Weight:	153.607280 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: WFLUDHYXVXRFLY-NUBCRITNSA-N

• (R)-BoroPro-(+)-Pinanediol-HCl

Synonyms: (R)-2-Pyrrolidineboronic acid (+)-pinanediol ester hydrochloride, (R)-2-Pyrrolidineboronic acid pinanediol ester hydrochloride, (R)-BoroPro-(+)-Pinanediol hydrochloride, PubChem11594, MolPort-015-142-788, SBB062836, AKOS005137998, AKOS015901819, AK-45073, BR-45073, KB-02898, AM20120632, B-2964, I14-14053, (R)-1H-Pyrrolidine-2-boronic acid, pinanediol ester, HCl,, (R)-2-Pyrrolidineboronic acid(+)-pinanediol ester hydrochloride

Molecular Formula:	C₁₄H₂₅BClNO₂	Molecular Weight:	285.617800 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: OVVMNBVQOPZMPY-AKDYBRCWSA-N

• 2,3-Diaminobenzamide

IUPAC Name: 2,3-diaminobenzamide | CAS Registry Number: 711007-44-2
Synonyms: 2,3-diaminobenzamide, 2,3-Diamino-benzamide, BENZAMIDE, 2,3-DIAMINO-, PubChem19664, 2,3-Diaminobenzamide;, SureCN998313, BEN058, CTK2H6966, MolPort-005-936-383, ACN-S001620, ANW-61735, ZINC21987655, AKOS006287860, AG-C-20708, AG-G-78277, LS11444, QC-8426, RP21497, AC-17850, AK-32166

Molecular Formula:	C₇H₉N₃O	Molecular Weight:	151.165860 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: NAWJZCSEYBQUGY-UHFFFAOYSA-N

• 6-NITRO-ISOINDOLIN-1-ONE

IUPAC Name: 6-nitro-2,3-dihydroisoindol-1-one | CAS Registry Number: 110568-64-4
Synonyms: 6-nitroisoindolin-1-one, 6-Nitroisoindoline-1-one, 6-Nitro-2,3-dihydro-isoindol-1-one, AG-D-28139, 1H-Isoindol-1-one,2,3-dihydro-6-nitro-, ACMC-1C7QN, SureCN2144234, CTK4A6938, HIN1763, MolPort-004-920-890, ANW-46885, RW3079, ZINC28048487, AKOS006277502, ACN-000018, PB32327, QC-2351, RD-0180, 6-nitro-2,3-dihydro-1H-isoindol-1-one, AK-32840

Molecular Formula:	C₈H₆N₂O₃	Molecular Weight:	178.144840 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: QKFIHDGZIPOWKP-UHFFFAOYSA-N

• 2-amino-6-chloro-3-Pyridinecarboxylic acid

IUPAC Name: 2-amino-6-chloropyridine-3-carboxylic acid | CAS Registry Number: 58584-92-2
Synonyms: 2-Amino-6-chloronicotinic acid, 2-amino-6-chloropyridine-3-carboxylic acid, SBB052999, AC1Q50TO, KSC840O0D, CTK7E0701, MolPort-009-195-505, QC-64, ACN-S001420, ACN-S002991, ANW-51839, AKOS005071480, AG-B-89576, MCULE-3909329869, PB26608, RP02756, AK-31140, BR-31140, KB-20197, WT-130457

Molecular Formula:	C₆H₅ClN₂O₂	Molecular Weight:	172.569100 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: INERBKPRIWEQRQ-UHFFFAOYSA-N

• 3-Aminobenzamide

IUPAC Name: 3-aminobenzamide | CAS Registry Number: 3544-24-9
Synonyms: 3-aminobenzamide, m-Aminobenzamide, Benzamide, m-amino-, Benzamide, 3-amino-, 3-Aminobenzimide, meta-aminobenzamide, 3-AB cpd, Ambap3139, Spectrum_001492, Tocris-0788, Spectrum2_001577, Spectrum3_000972, Spectrum4_001096, Spectrum5_001459, Lopac-A-0788, UPCMLD-DP128, 3-AB, CCRIS 3925, 3-ABA, Lopac0_000043

Molecular Formula:	C₇H₈N₂O	Molecular Weight:	136.151220 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: GSCPDZHWVNUUFI-UHFFFAOYSA-N

• 4-Amino 1,2-Methylene Dioxy Benzene

IUPAC Name: 1,3-benzodioxol-5-amine | CAS Registry Number: 14268-66-7
Synonyms: Methylenedioxyaniline, 5-Aminobenzodioxole, 1,3-Benzodioxol-5-amine, 5-Amino-1,3-benzodioxole, 3,4-(Methylenedioxy)aniline, 3,4-Methylenedioxyaniline, Aniline, 3,4-(methylenedioxy)-, 161497_ALDRICH, 1-Amino-3,4-methylenedioxybenzene, 4-Amino-1,2-methylenedioxybenzene, 1-Amino-3,4-dimethylenedioxybenzene, EINECS 238-161-6, NSC155176, ZINC00164370, NSC 155176, SDCCGMLS-0066217.P001, ST5214363, InChI=1/C7H7NO2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3H,4,8H

Molecular Formula:	C₇H₇NO₂	Molecular Weight:	137.135980 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: XGNXYCFREOZBOL-UHFFFAOYSA-N

• 1,1'-Biphenyl-3-carbaldehyde

IUPAC Name: 3-phenylbenzaldehyde | CAS Registry Number: 1204-60-0
Synonyms: 3-Phenylbenzaldehyde, 3-phenyl-benzaldehyde, 3-Biphenyl carboxaldehyde, 3-Difenilaldeide [Italian], CCRIS 3164, (1,1'-Biphenyl)-3-carboxaldehyde, 3PNL-0-0, BRN 2435839, ZINC02383275, 3-Biphenylcarboxaldehyde (6CI,7CI,8CI), LS-44220, ST5211902, TL8000540, 4-07-00-01388 (Beilstein Handbook Reference)

Molecular Formula:	C₁₃H₁₀O	Molecular Weight:	182.217900 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: KFKSIUOALVIACE-UHFFFAOYSA-N

• 4-Difluoromethoxy-3-hydroxybenzaldehyde

IUPAC Name: 4-(difluoromethoxy)-3-hydroxybenzaldehyde | CAS Registry Number: 151103-08-1
Synonyms: 4-(difluoromethoxy)-3-hydroxybenzaldehyde, 4-Difluoromethoxy-3-hydroxy-benzald, AG-D-97938, F0293-0136, ZINC02532881, PubChem24181, AC1MBXU0, ACMC-209d5g, CHEMBL1673314, CTK3J6536, MolPort-000-154-394, CHEBI:1171408, ANW-21314, CL8349, GEO-02629, SBB052174, WT1584, AKOS005063854, AS03099, MCULE-7614604439

Molecular Formula:	C₈H₆F₂O₃	Molecular Weight:	188.128246 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: ZLIKNROJGXXNJG-UHFFFAOYSA-N

• 3,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)isoxazole

IUPAC Name: 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole | CAS Registry Number: 832114-00-8
Synonyms: 643882_ALDRICH, BM308, 3,5-Dimethylisoxazole-4-boronic acid pinacol ester, 3,5-Dimethylisoxazoleboronic acid pinacol ester

Molecular Formula:	C₁₁H₁₈BNO₃	Molecular Weight:	223.076520 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: CVLHETBAROWASE-UHFFFAOYSA-N

• 5-Formylfuran-2-boronic Acid

IUPAC Name: (5-formylfuran-2-yl)boronic acid | CAS Registry Number: 27329-70-0
Synonyms: 5-Formyl-2-furanboronic acid, 5-formyl-2-furylboronic acid, 2-Formylfuran-5-boronic acid, 512346_ALDRICH, SBB004171, CID2734355, F3420G1, TL8007120, AI-372/25005759

Molecular Formula:	C₅H₅BO₄	Molecular Weight:	139.901800 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: JUWYQISLQJRRNT-UHFFFAOYSA-N

• 1,3-Bis(2,4,6-Trimethylphenyl)Imidazolinium Chloride

IUPAC Name: 1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium | CAS Registry Number: 141556-45-8
Synonyms: ZINC02584038, CID2734212

Molecular Formula:	C₂₁H₂₅N₂+	Molecular Weight:	305.436600 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: CSRGPERAJKNQMM-UHFFFAOYSA-N

• 2-Oxa-7-azaspiro[3.5]nonane

IUPAC Name: 2-oxa-7-azaspiro[3.5]nonane | CAS Registry Number: 241820-91-7
Synonyms: PubChem19728, SureCN347120, CTK1A1402, 2-Oxa-7-aza-spiro[3.5]nonane, MolPort-009-199-769, AKOS006308830, 2-OXA-7-AZASPIRO[3.5]NONAN, AG-E-71465, OR17715, PB11966, QC-9810, RP00263, 2-Oxa-7-azaspiro[3.5]nonane (9CI);, AK-77149, KB-25807, AM20020024, BB 0262712, FT-0684521, Y8404, D-1504

Molecular Formula:	C₇H₁₃NO	Molecular Weight:	127.184220 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: RECARUFTCUAFPV-UHFFFAOYSA-N

• (1R,2R,3S,5R)-(-)-2,3-Pinanediol

IUPAC Name: (1R,3S,4R,5R)-4,6,6-trimethylbicyclo[3.1.1]heptane-3,4-diol | CAS Registry Number: 22422-34-0
Synonyms: (1R,2R,3S,5R)-(-)-Pinanediol, (-)-2,3-Pinanediol, (-)-cis-Pinane-cis-2,3-diol, (-)-2-Hydroxyisopinocampheol, (1R,2R,3S,5R)-2,3-Pinanediol, [1R-(1|A,2|A,3|A,5|A)]-2,6,6-Trimethylbicyclo[3.1.1]heptane-2,3-diol, Pinanediol [INCI], cis-|A-Pinene Glycol, cis-alpha-Pinene glycol, AC1O6JRF, alpha-Pinene glycol, cis-, SureCN8609394, KSC497C1T, UNII-R58L0W3A75, (1R,2R,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol, CTK3J7119, MolPort-005-943-175, (1R,2R,3S)-pinane-2,3-diol, ACN-S003509, ANW-24865

Molecular Formula:	C₁₀H₁₈O₂	Molecular Weight:	170.248720 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: MOILFCKRQFQVFS-BDNRQGISSA-N

• 2-Dicyclohexylphosphino-2'-(N,N-dimethylamino)biphenyl

IUPAC Name: 2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline | CAS Registry Number: 213697-53-1
Synonyms: DavePhos, 638021_ALDRICH, ZINC02578111, CID2734217, ST5405996

Molecular Formula:	C₂₆H₃₆NP	Molecular Weight:	393.544501 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: ZEMZPXWZVTUONV-UHFFFAOYSA-N

• 1H-Inden-1-one, 2,3-dihydro-4-nitro-

IUPAC Name: 4-nitro-2,3-dihydroinden-1-one | CAS Registry Number: 24623-25-4
Synonyms: 4-Nitroindanone, 4-Nitroindan-1-one, NSC225091, CID90563, EINECS 246-367-2, TL8002021

Molecular Formula:	C₉H₇NO₃	Molecular Weight:	177.156780 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: QIIWEVWPOBNGLP-UHFFFAOYSA-N

• 2-Piperidinecarboxylic acid, 4-methyl-, (2R,4R)-

IUPAC Name: (2R,4R)-4-methylpiperidine-2-carboxylic acid | CAS Registry Number: 74892-81-2
Synonyms: (2R,4R)-4-methylpiperidine-2-carboxylic acid, (2r,4r)-4-methylpipecolinic acid, (2r,4r)-4-methyl-2-pipecolic acid, (2r,4r)-4-methyl-2-piperidinecarboxylic acid, 2-piperidinecarboxylic acid, 4-methyl-, (2r,4r)-, (2R,4R)-4-Methyl-2-piperidinecarboxylate, AG-G-98096, SureCN60184, ARGATROBAN INTER-1, ARGATROBAN INTER-2, AC1NRC41, trans-4-methylpipecolic acid, CTK2H6886, MolPort-002-499-404, 2-CARBOXY-4-METHYLPIPERIDINE, AC-621, ANW-50232, SBB066858, AKOS006276439, AKOS015840158

Molecular Formula:	C₇H₁₃NO₂	Molecular Weight:	143.183620 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: UQHCHLWYGMSPJC-PHDIDXHHSA-N

• 2-Piperidinecarboxylic acid, 1-[5-[[imino(nitroamino)methyl]amino]-2-[[(3-methyl-8-quinolinyl)sulfonyl]amino]-1-oxopentyl]-4-methyl-, ethyl ester, [2R-[1(S*),2a,4b]]-

IUPAC Name: ethyl (2R,4R)-1-[(2S)-5-[[amino(nitramido)methylidene]amino]-2-[(3-methylquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylate | CAS Registry Number: 74874-09-2
Synonyms: Argatroban-5, (2R,4R)-1-[(2S)-5-[[IMINO(NITROAMINO)METHYL]AMINO]-2-[[(3-METHYL-8-QUINOLINYL)SULFONYL]AMINO]-1-OXOPENTYL]-4-METHYL-2-PIPERIDINECARBOXYLIC ACID ETHYL ESTER, AKOS016010207, RL04845, AK112717, N-Nitro-1,2,3,4-tetradehydro Argatroban Ethyl Ester, [2R-[1(S*),2|A,4|A]]-1-[5-[[Imino(nitroamino)methyl]amino]-2-[[(3-methyl-8-quinolinyl)sulfonyl]amino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylic Acid Ethyl Ester

Molecular Formula:	C₂₅H₃₅N₇O₇S	Molecular Weight:	577.653100 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	10

InChIKey: DWOYDKNIEZWRDH-LSTHTHJFSA-N

• (s)-3-Aminotetrahydrofuran

IUPAC Name: (3S)-oxolan-3-amine | CAS Registry Number: 104530-79-2
Synonyms: (S)-tetrahydrofuran-3-amine, (S)-3-Aminotetrahydrofuran, (3S)OXOLANE-3-YLAMINE, AG-D-16856, 3-Furanamine,tetrahydro-, (3S)-, SureCN429737, (3S)-OXOLAN-3-AMINE, CTK4A3103, MolPort-005-937-196, ACT06806, ANW-49392, AKOS015854192, AG-E-49964, PB18852, (S)-TETRAHYDRO-FURAN-3-YLAMINE, AC-18217, AK-75870, BP-11345, BR-75870, 3-FURANAMINE, TETRAHYDRO-, (3S)-

Molecular Formula:	C₄H₉NO	Molecular Weight:	87.120360 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: MIPHRQMEIYLZFZ-BYPYZUCNSA-N

• 2-Amino-6-Bromophenol

IUPAC Name: 2-amino-6-bromophenol | CAS Registry Number: 28165-50-6
Synonyms: 2-Amino-6-bromophenol, FR-2404, TL8002241

Molecular Formula:	C₆H₆BrNO	Molecular Weight:	188.021940 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: LOBRHADLNRMHOO-UHFFFAOYSA-N

• 3-Amino Pyrrolidine

IUPAC Name: pyrrolidin-3-amine | CAS Registry Number: 79286-79-6
Synonyms: 3-Aminopyrrolidine, pyrrolidin-3-amine, 3-Pyrrolidinamine, SBB027337, 3-aminopyrrolidineDihydrochloride, 3-Aminopyrrolidine Dihydrochloride Dihydrochloride, 3-amino pyrrolidine, Pyrrolidin-3-ylamine, PubChem9196, pyrrolidine-3-ylamine, PubChem20096, ACMC-209bew, AC1L4UPV, ACMC-1CC1G, SureCN203460, AC1Q53IP, AC1Q53IQ, ACMC-2099s2, CTK2H7045, MolPort-001-795-080

Molecular Formula:	C₄H₁₀N₂	Molecular Weight:	86.135600 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: NGXSWUFDCSEIOO-UHFFFAOYSA-N

• (2S,4S)-2-(Dimethylaminocarbonyl)-4-Mercapto-1-(P-Nitrobenzyloxycarbonyl)-1-Pyrrolidine

IUPAC Name: (4-nitrophenyl)methyl (2S,4S)-2-(dimethylcarbamoyl)-4-sulfanylpyrrolidine-1-carboxylate | CAS Registry Number: 96034-64-9
Synonyms: Side chain for meropenem, 2-Dimethylcarbamoyl-4-mercapto-pyrr, (2S,4S)-2-(DIMETHYLAMINOCARBONYL)-4-MERCAPTO-1-(P-NITROBENZYLOXYCARBONYL)-1-PYRROLIDINE, (2S,4S)-4-Nitrobenzyl 2-(Dimethylcarbamoyl)-4-Mercaptopyrrolidine-1-Carboxylate, (2S,4S)-2-(Dimethylaminocarbonyl)-4-mercapto-1-(4'-nitrobenzyloxycarbonyl)-1-pyrrolidine, (2S,4S)-2-(DIMETHYLAMINOCARBONYL)-4-MERCAPTO-1-(P-NITROBENZYLOXYCARBONYL)PYRROLIDINE, enzyl ester, CTK3J2821, (4-nitrophenyl)methyl 2-(dimethylcarbamoyl)-4-sulfanyl-pyrrolidine-1-carboxylate, MolPort-003-987-485, olidine-1-carboxylic acid 4-nitro-b, ZINC16696702, AKOS015919512, AB43484, AC-5311, BD23261, RL06078, AK-49162, BR-49162, I741

Molecular Formula:	C₁₅H₁₉N₃O₅S	Molecular Weight:	353.393460 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: VGLBNJWGUYQZHD-STQMWFEESA-N

• 1-(1,1-DIOXIDOTETRAHYDRO-2H-THIOPYRAN-4-YL)METHANAMINE, 95%

IUPAC Name: (1,1-dioxothian-4-yl)methanamine | CAS Registry Number: 476660-77-2
Synonyms: Ambcb4018202, SureCN4875595, MolPort-013-118-762, (1,1-Dioxothian-4-yl)methanamine, AKOS005264588, MCULE-6439992039, RP08633, 4-(aminomethyl)-1$l^{6}-thiane-1,1-dione, C-8395, [(1, 1-DIOXOTETRAHYDRO-2H-THIOPYRAN-4-YL)METHYL]AMINE

Molecular Formula:	C₆H₁₃NO₂S	Molecular Weight:	163.237920 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: PYWSWTFWUWSPKT-UHFFFAOYSA-N

• 3- Benzofuranacetic acid, 2,3-dihydro-6-hydroxy-, methyl ester

IUPAC Name: methyl 2-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)acetate | CAS Registry Number: 805250-17-3
Synonyms: Methyl 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetate, SureCN435248, CTK8C0134, MolPort-020-233-866, ANW-64216, AKOS015919522, QC-3572, AK-48513, BR-48513, KB-78456, W8545

Molecular Formula:	C₁₁H₁₂O₄	Molecular Weight:	208.210580 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: RHMDISFJOKCCAQ-UHFFFAOYSA-N

• (1R,2R)-2-(3,4-difluorophenyl)cyclopropanamine(S)-(carboxylato(phenyl)methyl)holmium

IUPAC Name: (1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine;(2R)-2-hydroxy-2-phenylacetic acid | CAS Registry Number: 376608-71-8
Synonyms: AMX10102, EX-7182, (1R,2S)-2-(3,4-difluorophenyl)cyclopropanamine D-Mandelic acid, (1R,2R)-2-(3,4-difluorophenyl)cyclopropanamine(S)-(carboxylato(phenyl)methyl), (1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine (2R)-Hydroxy(phenyl)ethanoate, (|AR)-|A-Hydroxybenzeneacetic Acid compd. with (1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine

Molecular Formula:	C₁₇H₁₇F₂NO₃	Molecular Weight:	321.318586 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: GUESUQPLVFMJIT-KLTOLQSASA-N

• 3,4-Methylenedioxyphenylboronic Acid (CAS: 94839-04-3)

• (1S,4R)-methyl-4-aminocyclopent-2-enecarboxylate L-tartaric acid

IUPAC Name: (2R,3R)-2,3-dihydroxybutanedioic acid;methyl (1S,4R)-4-aminocyclopent-2-ene-1-carboxylate | CAS Registry Number: 419563-22-7
Synonyms: (1S,4R)-Methyl 4-aminocyclopent-2-enecarboxylate (2R,3R)-2,3-dihydroxysuccinate, SureCN7521128, MolPort-021-784-672, AKOS015924510, AK122878, KB-205452, B-2116, (1S,4R)-methyl 4-aminocyclopent-2-enecarboxylate L-tartrate salt

Molecular Formula:	C₁₁H₁₇NO₈	Molecular Weight:	291.254580 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	9

InChIKey: XSEHIOOHMZAFCV-IBSOYGIKSA-N

• (3aR,6aS)-1-(tert-butoxycarbonyl)octahydrocyclopenta[c]pyrrol-2-ium carboxyfor

IUPAC Name: tert-butyl (3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxylate;oxalic acid | CAS Registry Number: 907606-68-2
Synonyms: (1S,3aR,6aS)-tert-Butyl octahydrocyclopenta[c]pyrrole-1-carboxylate oxalate, SureCN1569384, CTK8C5244, ANW-74900, AKOS016000239, AK-87947, KB-205428

Molecular Formula:	C₁₄H₂₃NO₆	Molecular Weight:	301.335520 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	7

InChIKey: ZCTXDLWZMFBZEV-PUBMXKGKSA-N

• 3-Bromo methyl biphenyl

IUPAC Name: 1-(bromomethyl)-3-phenylbenzene | CAS Registry Number: 14704-31-5
Synonyms: 3-(Bromomethyl)biphenyl, 3-Phenylbenzyl bromide, 3-Bromomethylbiphenyl, 3-Bromo methylphenylbenzene, phenylbenzyl bromide, 3-(BROMOMETHYL)-1,1'-BIPHENYL, 1-(bromomethyl)-3-phenylbenzene, AG-D-91784, PubChem1897, 3-bromomethyl-biphenyl, ACMC-20anj6, AGN-PC-0CUJQC, AC1MYYV3, SureCN120295, M-PHENYLBENZYL BROMIDE, KSC173S4H, 538388_ALDRICH, Jsp002722, CTK0H3943, MolPort-003-845-379

Molecular Formula:	C₁₃H₁₁Br	Molecular Weight:	247.130440 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: RTFPTPXBTIUISM-UHFFFAOYSA-N

• 3,4-Epoxytetrahydrofuran

IUPAC Name: (1R,5S)-3,6-dioxabicyclo[3.1.0]hexane | CAS Registry Number: 285-69-8
Synonyms: 3,6-Dioxabicyclo[3.1.0]hexane, ZINC01734902, ZINC04692479, InChI=1/C4H6O2/c1-3-4(6-3)2-5-1/h3-4H,1-2H

Molecular Formula:	C₄H₆O₂	Molecular Weight:	86.089240 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: AIUTZIYTEUMXGG-ZXZARUISSA-N

• (S)-3-Hydroxytetrahydrofuran

IUPAC Name: (3S)-oxolan-3-ol | CAS Registry Number: 86087-23-2
Synonyms: (S)-(+)-3-Hydroxytetrahydrofuran, (3S)-oxolan-3-ol, (S)-(+)-tetrahyro-3-furanol, (S)-(+)-Tetrahydro-3-furanol, (S)-TETRAHYDRO-3-FURANOL, SBB062959, AG-H-17260, (S)-(+)-3-Hydoxy tetahydro tetrahydro furan, (S)-Tetrahydrofuran-3-ol, 84976-47-6, (3S)oxolan-3-ol, AC1MBYEJ, PubChem11341, PubChem16209, S-3-Hydroxytetrahydrofuran, SureCN158873, AC1Q59TD, KSC447S9N, 296686_ALDRICH, 3S-HYDROXYTETRAHYDROFURAN

Molecular Formula:	C₄H₈O₂	Molecular Weight:	88.105120 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: XDPCNPCKDGQBAN-BYPYZUCNSA-N

• 3-piperidin-2-yl-propionic Acid Hcl

IUPAC Name: 3-piperidin-2-ylpropanoic acid | CAS Registry Number: 4088-33-9
Synonyms: 3-(piperidin-2-yl)propanoic acid, SBB018825, 3-PIPERIDIN-2-YL-PROPIONIC ACID, 3-(2-piperidyl)propanoic acid, 3-Piperidin-2-yl-propionicacid, 2-Piperidinepropanoic acid, SureCN3653626, AGN-PC-000SB6, 3-Piperidin-2-yl-propanoic acid, MolPort-005-306-718, RW3872, STK694412, AKOS005606023, MCULE-9745963762, QC-3277, AK-35084, AM100796, KB-33189, ST095361, KB-143319

Molecular Formula:	C₈H₁₅NO₂	Molecular Weight:	157.210200 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: AYRHHRXKZJGDSA-UHFFFAOYSA-N

• 5-Bromo-3-formylpyridine

IUPAC Name: 5-bromopyridine-3-carbaldehyde | CAS Registry Number: 113118-81-3
Synonyms: 5-Bromo-3-pyridinecarboxaldehyde, 5-Bromonicotinaldehyde, 5-bromopyridine-3-carbaldehyde, 5-BROMOPYRIDINE-3-CARBOXALDEHYDE, 3-Bromo-5-formylpyridine, 113118-31-3, 3-Bromopyridine-5-carboxaldehyde, 5-Bromo-pyridine-3-carbaldehyde, 3-bromopyridine-5-carbaldehyde, 5-bromo-3-pyridinecarbaldehyde, 5-Bromo-3-pyridinecarboxyaldehyde, 3-Pyridinecarboxaldehyde, 5-bromo-, SBB052232, PubChem7706, PubChem16604, 5-Bromonicotinaldehyde,, ACMC-2099he, AC1Q25BW, KSC490M3H, Nicotinamidase Inhibitor, 17

Molecular Formula:	C₆H₄BrNO	Molecular Weight:	186.006060 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: NGUVGKAEOFPLDT-UHFFFAOYSA-N

• (S)-1-Boc-3-hydroxymethyl-piperazine

IUPAC Name: tert-butyl (3S)-3-(hydroxymethyl)piperazine-1-carboxylate | CAS Registry Number: 314741-40-7
Synonyms: (S)-1-Boc-3-hydroxymethylpiperazine, (S)-4-N-Boc-2-Hydroxymethyl-piperazine, (S)-4-Boc-2-(Hydroxymethyl)piperazine, (S)-3-Hydroxymethyl-piperazine-1-carboxylic acid tert-butyl ester, (s)-tert-butyl 3-(hydroxymethyl)piperazine-1-carboxylate, (s)-4-n-boc-2-(hydroxymethyl)piperazine, (s)-1-boc-3-(hydroxymethyl)piperazine, (s)-1-n-boc-3-hydroxymethyl-piperazine, tert-butyl (3S)-3-(hydroxymethyl)piperazine-1-carboxylate, (s)-3-hydroxymethylpiperazine-1-carboxylic acid tert-butyl ester, PubChem23944, SureCN1462710, KSC222C7F, Jsp005871, CTK1C2172, MolPort-000-004-177, PS-J-054, ANW-52345, RW3042, ZINC54959965

Molecular Formula:	C₁₀H₂₀N₂O₃	Molecular Weight:	216.277400 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: NSILYQWHARROMG-QMMMGPOBSA-N

• 4-Methyl-1-Indanone

IUPAC Name: 4-methyl-2,3-dihydroinden-1-one | CAS Registry Number: 24644-78-8
Synonyms: 4-Methyl-1-indanone, 4-methyl-2,3-dihydro-1H-inden-1-one, 4-methyl-2,3-dihydroinden-1-one, SBB067572, 4-methylindan-1-one, 4-Methyl-indanone, ZINC02560659, PubChem8834, AC1N9YMU, AC1Q2GOB, AC1Q2NVW, ACMC-20a60g, SureCN163780, 433047_ALDRICH, CTK4F4108, MolPort-001-793-316, AM872, ANW-58718, AKOS000223831, AG-E-73797

Molecular Formula:	C₁₀H₁₀O	Molecular Weight:	146.185800 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: RUORWXQKVXTQJJ-UHFFFAOYSA-N

• 2-Methyl-octahydro-pyrrolo[3,4-c]pyrrole

IUPAC Name: 5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole | CAS Registry Number: 86732-28-7
Synonyms: 2-methyl-octahydropyrrolo[3,4-c]pyrrole, AG-H-49821, 2-methyloctahydropyrrolo[3,4-c]pyrrole, Pyrrolo[3,4-c]pyrrole, octahydro-2-methyl-, SureCN477186, AGN-PC-00K9C9, CTK5F7152, MolPort-000-004-949, ANW-57550, AKOS005146206, AM81212, MCULE-9245830682, AK-77601, EN000502, KB-25542, Pyrrolo[3,4-c]pyrrole,octahydro-2-methyl-, FT-0690142, EN300-50806, A15860, M67174

Molecular Formula:	C₇H₁₄N₂	Molecular Weight:	126.199460 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: YQURLNGUWNDBIR-UHFFFAOYSA-N

• 2-(4-Bromophenyl)-1-(2,4-Dihydroxyphenyl)ethanone

IUPAC Name: 2-(4-bromophenyl)-1-(2,4-dihydroxyphenyl)ethanone | CAS Registry Number: 92152-60-8
Synonyms: 2-(4-bromophenyl)-1-(2,4-dihydroxyphenyl)ethanone, 1-(2,4-dihydroxyphenyl)-2-(4-bromophenyl)ethan-1-one, ZINC02566403, SureCN2331741, Oprea1_260410, MLS000113451, AC1M14F0, STOCK3S-00765, CTK5H0948, MolPort-000-424-536, HMS2185H11, ANW-46395, SBB081001, STK841186, AKOS000275901, AG-H-78150, MCULE-5482915082, AK-86252, SMR000109349, KB-222370

Molecular Formula:	C₁₄H₁₁BrO₃	Molecular Weight:	307.139340 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: GVDMPWQNNRNDOG-UHFFFAOYSA-N

• 1-Bromo-2-methoxy-3-nitrobenzene

IUPAC Name: 1-bromo-2-methoxy-3-nitrobenzene | CAS Registry Number: 98775-19-0
Synonyms: 1-bromo-2-methoxy-3-nitrobenzene, 1-BROMO-2-METHOXY-3-NITRO-BENZENE, 2-Bromo-6-nitroanisole, AN-584/43409814, PubChem16795, ACMC-1AIDP, 2-bromo-6-nitro-anisole, SureCN1707141, KSC496G1R, 3-Bromo-2-methoxynitrobenzene, BEN750, CTK3J6318, MolPort-005-943-612, 3-bromo-2-methoxy-1-nitrobenzene, ANW-40959, SBB097845, ZINC19872893, 1-bromanyl-2-methoxy-3-nitro-benzene, AKOS015851656, AKOS015912523

Molecular Formula:	C₇H₆BrNO₃	Molecular Weight:	232.031440 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: YAYBLVOBUIXMQY-UHFFFAOYSA-N

• 4-(DIFLUOROMETHOXY)-3-(CYCLOPROPYLMETHOXY)-BENZALDEHYDE

IUPAC Name: 3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzaldehyde | CAS Registry Number: 151103-09-2
Synonyms: 4-(DIFLUOROMETHOXY)-3-(CYCLOPROPYLMETHOXY)BENZALDEHYDE, 4-(Difluoromethoxy)-3-(cyclopropylmethoxy)-benzaldehyde, 3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzaldehyde, Benzaldehyde,3-(cyclopropylmethoxy)-4-(difluoromethoxy)-, ACMC-209v7w, KSC526Q8T, CTK4C6889, ANW-44730, AKOS015891175, AG-D-97939, AM84469, QC-1332, RP28516, AK-47888, KB-27532, FT-0660889, X3187, A24676, 3-Cyclopropylmethoxy-4-difluoromethoxybenzaldehyde;, I01-9125

Molecular Formula:	C₁₂H₁₂F₂O₃	Molecular Weight:	242.218686 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: AHVVCELVGCPYGI-UHFFFAOYSA-N

• 2-METHOXY-5-[(Z)-2-(3,4,5-TRIMETHOXYPHENYL)VINYL]PHENOXY]PHOSPHONIC ACID

IUPAC Name: disodium [2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate | CAS Registry Number: 222030-63-9
Synonyms: Zybrestat, Fosbretabulin, Fosbretabulin disodium, CA4DP, CA4P, Combretastatin A-4 phosphate, Fosbretabulin disodium (USAN), CHEBI:152812, MolPort-006-823-175, CID6918309, D09346, 2-Methoxy-5-((1Z)-2-(3,4,5-trimethoxyphenyl)ethenyl)phenyl phosphate, disodium mono(Z)-5-(3,4,5-trimethoxystyryl)-2-methoxyphenyl phosphate, disodium 2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)vinyl]phenyl phosphate, Phenol, 2-methoxy-5-((1Z)-2-(3,4,5-trimethoxyphenyl)ethenyl)-, dihydrogen phosphate, Di-Sodium salt of Phosphoric acid mono-{2-methoxy-5-[2-(3,4,5-trimethoxy-phenyl)-vinyl]-phenyl} ester, Disodium Phosphoric acid mono-{2-methoxy-5-[2-(3,4,5-trimethoxy-phenyl)-vinyl]-phenyl} ester, Phosphoric acid mono-{2-methoxy-5-[(Z)-2-(3,4,5-trimethoxy-phenyl)-vinyl]-phenyl} ester; disodium salt

Molecular Formula:	C₁₈H₁₉Na₂O₈P	Molecular Weight:	440.291961 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	8

InChIKey: VXNQMUVMEIGUJW-XNOMRPDFSA-L

• (S)-Tetrahydro-2H-pyran-3-amine

IUPAC Name: (3S)-oxan-3-amine;hydrochloride | CAS Registry Number: 1071829-81-6
Synonyms: (S)-tetrahydro-2H-pyran-3-amine hydrochloride, 1245724-46-2, PubChem19623, PubChem22290, SureCN2224224, CTK8C4329, MolPort-020-233-926, ANW-71578, AK-77753, KB-05701, X6276, (S)-TETRAHYDRO-2H-PYRAN-3-AMINE HCL

Molecular Formula:	C₅H₁₂ClNO	Molecular Weight:	137.607880 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: RETPVBQTPDYSBS-JEDNCBNOSA-N

• 1-Pyrrolidinecarboxylic Acid, 3-Amino-4-Hydroxy-, 1,1-Dimethylethyl Ester, (3R,4R)-Rel-

IUPAC Name: [(3R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]azanium | CAS Registry Number: 148214-90-8
Synonyms: ZINC04203559

Molecular Formula:	C₉H₁₉N₂O₃+	Molecular Weight:	203.258760 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: MOZOQDNRVPHFOO-RNFRBKRXSA-O

• 1-Aminocyclobutanecarboxylic acid

IUPAC Name: 1-aminocyclobutane-1-carboxylic acid | CAS Registry Number: 22264-50-2
Synonyms: Tocris-0258, 1y1z, SpecPlus_000653, Spectrum2_001476, Spectrum3_000743, Spectrum4_001046, Spectrum5_001835, Cyclobutanecarboxylic acid, 1-amino-, BSPBio_002326, KBioGR_001312, DivK1c_006749, SPBio_001431, 652369_ALDRICH, KBio1_001693, KBio3_001546, NSC 403363, ALBB-010153, CB 1700, BRN 2802253, 1-Amino-1-cyclobutanecarboxylic acid

Molecular Formula:	C₅H₉NO₂	Molecular Weight:	115.130460 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: FVTVMQPGKVHSEY-UHFFFAOYSA-N

• (S)-(-)-3-(Boc-amino)pyrrolidine

IUPAC Name: tert-butyl N-[(3S)-pyrrolidin-3-yl]carbamate | CAS Registry Number: 122536-76-9
Synonyms: (S)-3-(Boc-amino)pyrrolidine, (s)-3-n-boc-aminopyrrolidine, (3S)-(-)-3-(tert-Butoxycarbonylamino)pyrrolidine, s-3bocap, (S)-(+)-3-(Boc-amino)pyrrolidine, (s)-tert-butyl pyrrolidin-3-ylcarbamate, (s)-(-)-3-(boc-amino)pyrrolidine, (3S)-(-)-3-(Boc-amino)pyrrolidine, (s)-3-(tboc-amino)pyrrolidine, boc-(3s)-(-)-(3)apyrolidi, tert-butyl N-[(3S)-pyrrolidin-3-yl]carbamate, tert-Butyl (S)-3-pyrrolidinylcarbamate, tert-butyl (S)-pyrrolidin-3-ylcarbamate, (s)-3-aminopyrrolidine, 3-boc protected, ST50825255, (s)-pyrrolidin-3-yl-carbamic acid tert-butyl ester, tert-butyl (3S)-pyrrolidin-3-ylcarbamate, AC1LTTG9, AC1Q1MUO, SureCN133307

Molecular Formula:	C₉H₁₈N₂O₂	Molecular Weight:	186.251420 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: DQQJBEAXSOOCPG-ZETCQYMHSA-N

• (R)-(+)-3-(Boc-amino)pyrrolidine

IUPAC Name: tert-butyl N-[(3R)-pyrrolidin-3-yl]carbamate | CAS Registry Number: 122536-77-0
Synonyms: (R)-3-(Boc-amino)pyrrolidine, (r)-3-n-boc-aminopyrrolidine, (r)-tert-butyl pyrrolidin-3-ylcarbamate, (3R)-(+)-3-(tert-Butoxycarbonylamino)pyrrolidine, (R)-3-Boc-aminopyrrolidine, (3R)-(+)-3-(Boc-amino)pyrrolidine, tert-butyl N-[(3R)-pyrrolidin-3-yl]carbamate, (R)-3-(+)-(Boc-amino)pyrrolidine, AG-D-48923, (r)-pyrrolidin-3-yl-carbamic acid tert-butyl ester, tert-Butyl (R)-3-pyrrolidinylcarbamate, tert-butyl (3R)-pyrrolidin-3-ylcarbamate, r-3bocap, AC1LTTGB, PubChem11223, SureCN183834, AC1Q1MT8, (r)-3n-boc-aminopyrrolidine, KSC496Q5N, r-3-(boc-amino)-pyrrolidine

Molecular Formula:	C₉H₁₈N₂O₂	Molecular Weight:	186.251420 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: DQQJBEAXSOOCPG-SSDOTTSWSA-N

• 6,7-Dihydro-4(5H)-benzofuranone

IUPAC Name: 6,7-dihydro-5H-1-benzofuran-4-one | CAS Registry Number: 16806-93-2
Synonyms: 476773_ALDRICH, ZINC00403223, 6,7-dihydro-5H-benzofuran-4-one, CID2733541, 5F-912

Molecular Formula:	C₈H₈O₂	Molecular Weight:	136.147920 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: DXWQOYPYNPSVRL-UHFFFAOYSA-N

• 2-((3aR,4S,6R,6aS)-6-amino-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yloxy)ethanol L-tataric acid

IUPAC Name: 2-[[(3aR,4S,6R,6aS)-6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol;(2R,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid | CAS Registry Number: 376608-65-0
Synonyms: 2-(((3aR,4S,6R,6aS)-6-Amino-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)oxy)ethanol (2R,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate, CTK8C0810, AMX10100, ANW-65308, AKOS016005231, KB-219844, 2-((3aR,4S,6R,6aS)-6-amino-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol

Molecular Formula:	C₁₆H₂₉NO₁₂	Molecular Weight:	427.400960 [g/mol]
H-Bond Donor:	8	H-Bond Acceptor:	13

InChIKey: BMSGAYRPWQIWHY-AFBFJNDQSA-N

• (�)-Corey lactone diol

IUPAC Name: (3aR,4S,5R,6aS)-5-hydroxy-4-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one | CAS Registry Number: 54423-47-1
Synonyms: 32233-40-2, (-)-Corey lactone diol, (-)-Corey lactone, (-)-COREY DIOL (COREY LACTONE), (3aR,4S,5R,6aS)-5-Hydroxy-4-(hydroxymethyl)hexahydro-2H-cyclopenta[b]furan-2-one, ST075172, (3aR,4S,5R,6aS)-(-)-Hexahydro-5-hydroxy-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one, (3aR,4S,5R,6aS)-5-hydroxy-4-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one, ZINC04261954, AC1MC4YE, (+/-)-Corey lactone diol, SCHEMBL439263, 341576_ALDRICH, MolPort-003-930-593, VYTZWRCSPHQSFX-GBNDHIKLSA-N, AN-278, CC-859, AKOS015900009, AKOS016015263, AC-6090

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

InChIKey: VYTZWRCSPHQSFX-GBNDHIKLSA-N

• ((7S,9AS)-OCTAHYDRO-1H-PYRIDO[1,2-A]PYRAZIN-7-YL)METHANOL

IUPAC Name: [(7S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazin-7-yl]methanol | CAS Registry Number: 145012-50-6
Synonyms: SureCN3543148, AKOS006285258, AB44671, TRANS-OCTAHYDRO-2H-PYRIDO[1,2-A]PYRAZINE-7-METHANOL, ((7S,9ALPHAS)-OCTAHYDRO-1H-PYRIDO[1,2-A]PYRAZIN-7-YL)-METHANOL

Molecular Formula:	C₉H₁₈N₂O	Molecular Weight:	170.252020 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: IUKDDYAECHPPRM-IUCAKERBSA-N

• 1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid

IUPAC Name: 1-(4-fluorophenyl)-2-oxopyridine-3-carboxylic acid | CAS Registry Number: 868171-67-9
Synonyms: SureCN362582, CTK3C6422, QC-4619, 3-Pyridinecarboxylic acid, 1-(4-fluorophenyl)-1,2-dihydro-2-oxo-

Molecular Formula:	C₁₂H₈FNO₃	Molecular Weight:	233.195223 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: WPJGHIVGAOVUAT-UHFFFAOYSA-N