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• N-(2-nitrobenzoyl)Glycine

IUPAC Name: 2-[(2-nitrobenzoyl)amino]acetic acid | CAS Registry Number: 10167-23-4
Synonyms: 2-(2-Nitrobenzamido)acetic acid, 2-[(2-nitrophenyl)carbonylamino]acetic acid, 2-[(2-nitrobenzoyl)amino]acetic Acid, AC1NHBMD, SureCN3897907, CHEMBL8681, Oprea1_397730, Glycine, N-(2-nitrobenzoyl)-, CTK0G8059, CHEBI:104064, MolPort-000-872-510, ANW-71304, SBB072623, AKOS000137805, MCULE-5943365719, AK-99199, KB-221198, ST45028656, ST50434787

Molecular Formula:	C₉H₈N₂O₅	Molecular Weight:	224.170220 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: HUKQWHBZPIMEDH-UHFFFAOYSA-N

• N-(2-Nitropyridin-3-yl)acetamide

IUPAC Name: N-(2-nitropyridin-3-yl)acetamide | CAS Registry Number: 105151-35-7
Synonyms: N-(2-nitropyridin-3-yl)acetamide, AC1LBPYZ, 3-Acetylamino-2-nitropyridine, SCHEMBL10745616, UWCIUYZGGALJBA-UHFFFAOYSA-N, ZINC5283612, 3-Pyridinamine, N-acetyl-2-nitro-, ZINC05283612, N-(2-Nitro-3-pyridinyl)acetamide #, AKOS027440620, FCH1154662, AK502014, AX8277364

Molecular Formula:	C₇H₇N₃O₃	Molecular Weight:	181.151 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: UWCIUYZGGALJBA-UHFFFAOYSA-N

• N-(2-phenylethyl)pyridin-3-amine

IUPAC Name: N-(2-phenylethyl)pyridin-3-amine | CAS Registry Number: 1019610-08-2
Synonyms: N-Phenethylpyridin-3-amine, AGN-PC-0386T6, SCHEMBL15904401, MolPort-004-378-825, AKOS000227233, AJ-75629, AK151011

Molecular Formula:	C₁₃H₁₄N₂	Molecular Weight:	198.263660 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: GCICMCPFLZNCEC-UHFFFAOYSA-N

• N-(3,4-DIFLUOROPHENYL) 3-BORONOBENZAMIDE

IUPAC Name: [3-[(3,4-difluorophenyl)carbamoyl]phenyl]boronic acid | CAS Registry Number: 1072946-15-6
Synonyms: N-(3,4-Difluorophenyl) 3-boronobenzamide, (3-((3,4-Difluorophenyl)carbamoyl)phenyl)boronic acid, ACMC-2098rh, CTK4A5234, ANW-15627, AKOS015833566, AG-D-22479, AK-92852, KB-55596, N-(3,4-Difluorophenyl)3-boronobenzamide, N-(3,4-Difluorophenyl) 3-boronobenzamide,, A-4548, I01-10645

Molecular Formula:	C₁₃H₁₀BF₂NO₃	Molecular Weight:	277.031206 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: BNTBFLHBIBBLLS-UHFFFAOYSA-N

• N-(3,4-dihydroxyphenethyl)-3-(3,4-dihydroxyphenyl)acrylamide

IUPAC Name: 3-(3,4-dihydroxyphenyl)-N-[2-(3,4-dihydroxyphenyl)ethyl]prop-2-enamide | CAS Registry Number: 103188-49-4
Synonyms: (2E)-3-(3,4-Dihydroxyphenyl)-N-[2-(3,4-dihydroxyphenyl)ethyl]acrylamide, ACMC-20m62d, SureCN140830, CTK0D8679

Molecular Formula:	C₁₇H₁₇NO₅	Molecular Weight:	315.320580 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	5

InChIKey: FSMGGLPUXCKRGT-UHFFFAOYSA-N

• N-(3,4-dihydroxyphenethyl)-3-(4-hydroxyphenyl)acrylamide

IUPAC Name: (E)-N-[2-(3,4-dihydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide | CAS Registry Number: 103188-46-1
Synonyms: (E)-N-(3,4-Dihydroxyphenethyl)-3-(4-hydroxyphenyl)acrylamide, AKOS016012349, AK122566, KB-145924, KB-209317

Molecular Formula:	C₁₇H₁₇NO₄	Molecular Weight:	299.321180 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	4

InChIKey: KZUJJPCTENPKOE-XBXARRHUSA-N

• N-(3,5-DIBROMOPHENYL)PIVALAMIDE

IUPAC Name: N-(3,5-dibromophenyl)-2,2-dimethylpropanamide | CAS Registry Number: 1020252-74-7
Synonyms: BD230516, ACMC-2097ye, CTK4A0561, N-(3,5-Dibromophenyl)pivalamide,, ANW-14580, AKOS015834287, AG-D-10046, AK-92610, KB-55600, A-4137, I14-24810

Molecular Formula:	C₁₁H₁₃Br₂NO	Molecular Weight:	335.035020 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: FQRDVBBRQWCCSC-UHFFFAOYSA-N

• N-(3-acetyl-2-hydroxyphenyl)Acetamide

IUPAC Name: N-(3-acetyl-2-hydroxyphenyl)acetamide | CAS Registry Number: 103205-33-0
Synonyms: N-(3-Acetyl-2-hydroxyphenyl)acetamide, SureCN909725, AGN-PC-00NS3Z, CTK8C4694, MolPort-022-378-100, ANW-72817, AKOS015890752, AK-88037, Acetamide, N-(3-acetyl-2-hydroxyphenyl)-, KB-258148, I01-7948

Molecular Formula:	C₁₀H₁₁NO₃	Molecular Weight:	193.199240 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: IZEKPTZDLKKMGF-UHFFFAOYSA-N

• N-(3-AMINOPHENYL)-N-PHENYLAMINE HCL

IUPAC Name: 3-N-phenylbenzene-1,3-diamine | CAS Registry Number: 5840-03-9
Synonyms: N-(3-Aminophenyl)-N-phenylamine, Oprea1_152187, Oprea1_517217, N-phenylbenzene-1,3-diamine, MLS000713019, ZERO/001097, N-Phenyl-benzene-1,3-diamine, MolPort-000-889-879, CID685629, STK301704, ZINC00052622, BAS 01947533, EC-000.1473, LS-29630, SMR000282786, EU-0069126, AH-034/12055630

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

InChIKey: VJTZHXQAZLGBHV-UHFFFAOYSA-N

• N-(3-Aminophenyl)acetamide

IUPAC Name: N-(3-aminophenyl)acetamide

Molecular Formula:	C₈H₁₀N₂O	Molecular Weight:	150.177800 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: PEMGGJDINLGTON-UHFFFAOYSA-N

• N-(3-BROMO-4-FLUOROBENZOYL)MORPHOLINE

IUPAC Name: (3-bromo-4-fluorophenyl)-morpholin-4-ylmethanone | CAS Registry Number: 1007207-89-7
Synonyms: SureCN2377855, ACMC-2097s5, CTK3J9192, ANW-14355, AKOS015834312, AG-D-06292, N-(3-Bromo-4-fluorobenzoyl)morpholine,, AK134355, KB-55616, (3-Bromo-4-fluorophenyl)(morpholino)methanone, A-4080, I01-10813

Molecular Formula:	C₁₁H₁₁BrFNO₂	Molecular Weight:	288.112943 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: LQLSTTTUFUYAMF-UHFFFAOYSA-N

• N-(3-Chloro-2-hydroxypropyl)acetamide

IUPAC Name: N-(3-chloro-2-hydroxypropyl)acetamide | CAS Registry Number: 3920-11-4
Synonyms: AGN-PC-006120, AKOS006381970, AK123261, Acetamide, N-(3-chloro-2-hydroxypropyl)-, KB-258156

Molecular Formula:	C₅H₁₀ClNO₂	Molecular Weight:	151.591400 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: XWJZCAOMAPZUFS-UHFFFAOYSA-N

• N-(3-CHLORO-2-METHYLPHENYL) 3-BORONOBENZAMIDE

IUPAC Name: [3-[(3-chloro-2-methylphenyl)carbamoyl]phenyl]boronic acid | CAS Registry Number: 1072946-02-1
Synonyms: N-(3-Chloro-2-methylphenyl) 3-boronobenzamide, ACMC-2098r6, CTK4A5224, ANW-15616, AKOS015833542, AG-D-22468, AK-94516, KB-55656, N-(3-Chloro-2-methylphenyl)3-boronobenzamide, A-4537, N-(3-Chloro-2-methylphenyl) 3-boronobenzamide,, I01-10638, (3-((3-Chloro-2-methylphenyl)carbamoyl)phenyl)boronic acid

Molecular Formula:	C₁₄H₁₃BClNO₃	Molecular Weight:	289.521920 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: DRMRZGMHJMZALJ-UHFFFAOYSA-N

• N-(3-CHLORO-4-FLUOROPHENYL) 3-BORONOBENZAMIDE

IUPAC Name: [3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]boronic acid | CAS Registry Number: 1072946-04-3
Synonyms: N-(3-Chloro-4-fluorophenyl) 3-boronobenzamide, ACMC-2098r8, CTK4A5225, ANW-15618, AKOS015833565, AG-D-22470, AK-93979, KB-55679, A-4539, N-(3-Chloro-4-fluorophenyl)-3-boronobenzamide, N-(3-Chloro-4-fluorophenyl) 3-boronobenzamide,, I01-10644, (3-((3-Chloro-4-fluorophenyl)carbamoyl)phenyl)boronic acid

Molecular Formula:	C₁₃H₁₀BClFNO₃	Molecular Weight:	293.485803 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: RSMFAQCLGXKQAT-UHFFFAOYSA-N

• N-(3-chlorophenyl)-1H-Pyrazolo[4,3-b]pyridin-3-amine

IUPAC Name: N-(3-chlorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine | CAS Registry Number: 1041614-20-3
Synonyms: SureCN2361192, AKOS016013127, QC-5420, AK126264, KB-258159

Molecular Formula:	C₁₂H₉ClN₄	Molecular Weight:	244.679660 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: AZKRKWMJSCDPGH-UHFFFAOYSA-N

• N-(3-Fluoro-2-chloro-phenyl)-formamide

IUPAC Name: N-(2-chloro-3-fluorophenyl)formamide | CAS Registry Number: 1070892-66-8
Synonyms: CTK4A5005, N-(2-Chloro-3-fluorophenyl)formamide, AG-L-60396, N-(3-Fluoro-2-chlorophenyl)-formamide, AK137421, KB-55719

Molecular Formula:	C₇H₅ClFNO	Molecular Weight:	173.572103 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: UJAZOJLAEONSQS-UHFFFAOYSA-N

• N-(3-METHOXYPROPYL) 4-BROMO-3-TRIFLUOROMETHYLBENZENESULFONAMIDE

IUPAC Name: 4-bromo-N-(3-methoxypropyl)-3-(trifluoromethyl)benzenesulfonamide | CAS Registry Number: 1020252-98-5
Synonyms: 4-Bromo-N-(3-methoxypropyl)-3-(trifluoromethyl)benzenesulfonamide, ACMC-2097z1, CTK4A0584, ANW-14603, AKOS015835268, AG-D-10070, AK-92627, KB-55773, A-4161, I01-10770, N-(3-Methoxypropyl)4-bromo-3-trifluoromethylbenzenesulfonamide, N-(3-Methoxypropyl) 4-bromo-3-trifluoromethylbenzenesulfonamide,

Molecular Formula:	C₁₁H₁₃BrF₃NO₃S	Molecular Weight:	376.190030 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	7

InChIKey: PPPXHLZRJSLAJM-UHFFFAOYSA-N

• N-(3-METHYLTHIOALLYL)DIETHYLAMINE

IUPAC Name: (E)-N,N-diethyl-3-methylsulfanylprop-1-en-1-amine | CAS Registry Number: 4744-04-1
Synonyms: N,N-Diethyl-3-(methylthio)prop-1-en-1-amine, 1263287-70-2, AKOS015898635, ZINC100070355, FCH1164458, FCH3747546, AK122850, AX8247028, KB-258394, ST24048178, I09-1858, I09-1883

Molecular Formula:	C₈H₁₇NS	Molecular Weight:	159.291 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: KBAORPXMGKEUDV-VOTSOKGWSA-N

• N-(3-PHENYLPROPYL)ACETAMIDE

IUPAC Name: N-(3-phenylpropyl)acetamide | CAS Registry Number: 34059-10-4
Synonyms: N-(3-Phenylpropyl)acetamide, Acetamide, N-(3-phenylpropyl)-, ST50923484, BAS 02589262, AC1LB5VT, SureCN422827, N-(3-Phenyl-propyl)-acetamide, CTK1B7959, MolPort-001-541-250, STK411206, ZINC05007540, AKOS000541265, AG-F-15506, MCULE-6100741046, T6552942

Molecular Formula:	C₁₁H₁₅NO	Molecular Weight:	177.242900 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: YXCRHNOACQLGPS-UHFFFAOYSA-N

• N-(3-SULFOPROPYL)-3,3',5,5'-TETRAMETHYLBENZIDINE SODIUM

IUPAC Name: 3-[4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylanilino]propane-1-sulfonic acid;sodium | CAS Registry Number: 102062-46-4
Synonyms: 1-Propanesulfonic acid,3-[(4'-amino-3,3',5,5'-tetramethyl[1,1'-biphenyl]-4-yl)amino]-,monosodium salt, ACMC-20m52k, CTK4A0638, AG-D-10229

Molecular Formula:	C₁₉H₂₆N₂NaO₃S	Molecular Weight:	385.476109 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: ZSCRKMPOXACAPO-UHFFFAOYSA-N

• N-(3-Triethoxysilylpropyl)Gluconamide

IUPAC Name: (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-triethoxysilylpropyl)hexanamide | CAS Registry Number: 104275-58-3
Synonyms: (2R,3S,4R,5R)-2,3,4,5,6-Pentahydroxy-N-(3-(triethoxysilyl)propyl)hexanamide, AKOS008901152, AK126423, KB-206513

Molecular Formula:	C₁₅H₃₃NO₉Si	Molecular Weight:	399.509320 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	9

InChIKey: RGFDUEXNZLUZGH-YIYPIFLZSA-N

• N-(4-Acetyl-2-iodophenyl)acetamide

IUPAC Name: N-(4-acetyl-2-iodophenyl)acetamide | CAS Registry Number: 1030373-71-7
Synonyms: N-(4-acetyl-2-iodophenyl)acetamide, AKOS027440593, ZINC139426157, FCH4273136, AK501972, AX8271757

Molecular Formula:	C₁₀H₁₀INO₂	Molecular Weight:	303.099 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: SEUVKBSXVWGQIL-UHFFFAOYSA-N

• N-(4-Aminobenzoyl)-beta-alanine

IUPAC Name: 3-[(4-aminobenzoyl)amino]propanoate | CAS Registry Number: 7377-08-4
Synonyms: ZINC00120074, CID6927053

Molecular Formula:	C₁₀H₁₁N₂O₃-	Molecular Weight:	207.205940 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: VHAXWROFYVPXMZ-UHFFFAOYSA-M

• N-(4-Aminobenzyl)cyclopropanesulfonamide

IUPAC Name: N-[(4-aminophenyl)methyl]cyclopropanesulfonamide | CAS Registry Number: 1019855-83-4
Synonyms: SureCN1115782, CTK8C2240, MolPort-021-339-566, ANW-68079, AKOS013877686, AK-80772, KB-258186

Molecular Formula:	C₁₀H₁₄N₂O₂S	Molecular Weight:	226.295360 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: WBXHRSGGAPUJHT-UHFFFAOYSA-N

• N-(4-Bromobenzyl)-2,2-dimethoxyethylamine

IUPAC Name: N-[(4-bromophenyl)methyl]-2,2-dimethoxyethanamine | CAS Registry Number: 1036378-89-8
Synonyms: AGN-PC-0CT6TK, SureCN1411918, AKOS008988770, AB65352, N-(4-BROMOBENZYL)-2,2-DIMETHOXYETHYLAMINE, N-[(4-bromophenyl)methyl]-2,2-dimethoxyethanamine, N-(4-BROMOBENZYL)-N-(2,2-DIMETHOXYETHYL)AMINE, [(4-BROMOPHENYL)METHYL](2,2-DIMETHOXYETHYL)AMINE

Molecular Formula:	C₁₁H₁₆BrNO₂	Molecular Weight:	274.154240 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: IEMKXFLENZAFAZ-UHFFFAOYSA-N

• N-(4-BROMOPHENYL)-2-CHLOROACETAMIDE

IUPAC Name: N-(4-bromophenyl)-2-chloroacetamide | CAS Registry Number: 2564-02-5
Synonyms: 4'-Bromo-2-chloroacetanilide, WLN: G1VMR DE, CBChromo1_000033, CBDivE_001875, 118052_ALDRICH, N-(4-Bromophenyl)-2-chloroacetamide, Acetamide, N-(4-bromophenyl)-2-chloro-, MolPort-000-869-471, NSC220248, ACETANILIDE, 4'-BROMO-2-CHLORO-, NSC 220248, ALBB-002249, CID17374, BRN 0639451, STK117938, ZINC00119308, LS-10493, Acetamide, N-(4-bromophenyl)-2-chloro- (9CI), 3-12-00-01437 (Beilstein Handbook Reference), T0515-3129

Molecular Formula:	C₈H₇BrClNO	Molecular Weight:	248.504280 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: FRZKCMCCQAJIBN-UHFFFAOYSA-N

• N-(4-Bromopyridin-2-yl)acetamide

IUPAC Name: N-(4-bromopyridin-2-yl)acetamide | CAS Registry Number: 1026796-81-5
Synonyms: BD239575, AGN-PC-0CZ7HM, SureCN355579, CTK8B7226, ANW-56764, AKOS016001773, AK100863, KB-258202

Molecular Formula:	C₇H₇BrN₂O	Molecular Weight:	215.047280 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: LFMGMKPLBDZJLP-UHFFFAOYSA-N

• N-(4-butoxy-2,6-dichlorophenyl)-2-chloroacetamide

IUPAC Name: N-(4-butoxy-2,6-dichlorophenyl)-2-chloroacetamide | CAS Registry Number: 100117-20-2
Synonyms: MolPort-035-684-323, AKOS022186947, AK146698, AJ-138753, N-(4-Butoxy-2,6-dichlorophenyl)-2-chloroacetamide

Molecular Formula:	C₁₂H₁₄Cl₃NO₂	Molecular Weight:	310.604060 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: HHYJMQSVCJUKBR-UHFFFAOYSA-N

• N-(4-chloro-3-pyridinyl)Carbamic acid 1,1-dimethylethyl ester

IUPAC Name: tert-butyl N-(4-chloropyridin-3-yl)carbamate | CAS Registry Number: 1068976-14-6
Synonyms: tert-Butyl (4-chloropyridin-3-yl)carbamate, SBB051901, tert-Butyl 4-Chloropyridin-3-ylcarbamate, SureCN3229288, CTK7G8188, ANW-68649, ZINC40447840, AKOS016005858, AG-C-19033, AK-76246, KB-260106, (tert-butoxy)-N-(4-chloro(3-pyridyl))carboxamide

Molecular Formula:	C₁₀H₁₃ClN₂O₂	Molecular Weight:	228.675420 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: SJYRXORHRXUREX-UHFFFAOYSA-N

• N-(4-Chlorobenzyl)-1-(4-Ethynylphenyl)Methanamine

IUPAC Name: N-[(4-chlorophenyl)methyl]-1-(4-ethynylphenyl)methanamine | CAS Registry Number: 1049809-94-0
Synonyms: N-(4-chlorobenzyl)-1-(4-ethynylphenyl)methanamine, N-(4-CHLOROBENZYL)(4-ETHYNYLPHENYL)METHANAMINE, CTK4A3541, ANW-52637, FD7115, AKOS015999837, AG-L-19457, AK-51097, KB-258207, A24332

Molecular Formula:	C₁₆H₁₄ClN	Molecular Weight:	255.742060 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: QQGFAHGQTBVPCD-UHFFFAOYSA-N

• N-(4-Cyanophenyl)-3,4-difluorobenzamide

IUPAC Name: 2-methylsulfonylpyridine-4-carboxylic acid | CAS Registry Number: 1007802-68-7
Synonyms: 2-(METHYLSULFONYL)-4-PYRIDINECARBOXYLIC ACID, SureCN11197523, CTK8E1704, 2-(methylsulfonyl)isonicotinic acid, KB-224185, KB-224197, 1186663-27-3

Molecular Formula:	C₇H₇NO₄S	Molecular Weight:	201.199780 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: SSTWSIYWXZCTEW-UHFFFAOYSA-N

• N-(4-Hydroxyphenyl)-N-methylpentanamide

IUPAC Name: N-(4-hydroxyphenyl)-N-methylpentanamide | CAS Registry Number: 1038216-75-9
Synonyms: N-(4-hydroxyphenyl)-N-methylpentanamide, ZINC20210744, AKOS009163356

Molecular Formula:	C₁₂H₁₇NO₂	Molecular Weight:	207.268880 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: ZTBIEYGDUUBWTE-UHFFFAOYSA-N

• N-(4-Hydroxyphenyl)Acetamide-2,2,2-D3,98 Atom % D

IUPAC Name: 2,2,2-trideuterio-N-(4-hydroxyphenyl)acetamide | CAS Registry Number: 60902-28-5
Synonyms: Paracetamole-d3, Paracetamol-d3, Parageniol-d3, Acetaminophen-d3, Paraspen-d3, Valgesic-d3, Vermidon-d3, Paralen-d3, Paramol-d3, Valadol-d3, Acamol-d3, Acenol-d3, 4-Acetamidophenol-d3, [2H3]-Acetaminophen, APAP-d3, N-Acetyl-4-aminophenol-d3, N-(4-Hydroxyphenyl)acetamide-d3, N-(4-Hydroxyphenyl)acetamide-2,2,2-d3, FT-0661041, Acetamide-2,2,2-d3, N-(4-hydroxyphenyl)-

Molecular Formula:	C₈H₉NO₂	Molecular Weight:	154.181045 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: RZVAJINKPMORJF-FIBGUPNXSA-N

• N-(4-HYDROXYPHENYL-2,3,5,6-D4)ACETAMIDE

IUPAC Name: N-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)acetamide | CAS Registry Number: 64315-36-2
Synonyms: Paracetamol-d4, Acetaminophen-d4, Paracetamole-d4, Parageniol-d4, Paraspen-d4, Valgesic-d4, Vermidon-d4, Paralen-d4, Paramol-d4, Valadol-d4, Acamol-d4, Acenol-d4, 4-Acetamidophenol-d4, [2H4]-Acetaminophen, APAP-d4, N-Acetyl-4-aminophenol-d4, N-(4-Hydroxyphenyl)acetamide-d4, AB08551, 4-Hydroxy-2,3,5,6-tetradeuteroacetanilide, FT-0661042

Molecular Formula:	C₈H₉NO₂	Molecular Weight:	155.187207 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: RZVAJINKPMORJF-QFFDRWTDSA-N

• N-(4-Hydroxyquinolin-3-yl)acetamide

IUPAC Name: N-(4-oxo-1H-quinolin-3-yl)acetamide | CAS Registry Number: 103862-98-2
Synonyms: AKOS027440611, ZINC205369083, AK501996, AX8275232

Molecular Formula:	C₁₁H₁₀N₂O₂	Molecular Weight:	202.213 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: DPYIJIZMVMYXTA-UHFFFAOYSA-N

• N-(4-Methoxyphenyl)-2-Pyrazinamine

IUPAC Name: N-(4-methoxyphenyl)pyrazin-2-amine | CAS Registry Number: 1022128-78-4
Synonyms: N-(4-METHOXYPHENYL)PYRAZIN-2-AMINE, SureCN13043077, CTK4A0820, MolPort-020-233-964, AKOS015903764, AG-D-10833, CCG-131465, AK-39719, FT-0687558, A24740, I14-17662

Molecular Formula:	C₁₁H₁₁N₃O	Molecular Weight:	201.224540 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: AZDBABVGXUPDTO-UHFFFAOYSA-N

• N-(4-Methoxyphenyl)piperazine

IUPAC Name: 1-(4-methoxyphenyl)piperazine | CAS Registry Number: 38212-30-5
Synonyms: 1-(4-Anisyl)piperazine, 1-(4-Methoxyphenyl)piperazine, Oprea1_137034, Oprea1_331497, 571415_ALDRICH, Piperazine, 1-(4-methoxyphenyl)-, EINECS 253-829-7, ST5213217

Molecular Formula:	C₁₁H₁₆N₂O	Molecular Weight:	192.257540 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: MRDGZSKYFPGAKP-UHFFFAOYSA-N

• N-(4-Methylbenzyl)-1-(piperidin-4-yl)methanamine hydrochloride

IUPAC Name: N-[(4-methylphenyl)methyl]-1-piperidin-4-ylmethanamine;hydrochloride | CAS Registry Number: 1050484-75-7
Synonyms: MolPort-035-690-959, AKOS024464203, AK160364, KB-01938, ST24048416, (4-methylbenzyl)piperidin-4-ylmethylamine hydrochloride, (4-Methyl-benzyl)-piperidin-4-ylmethyl-amine hydrochloride, 1158290-00-6

Molecular Formula:	C₁₄H₂₃ClN₂	Molecular Weight:	254.798820 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	2

InChIKey: PAFIWKPUQOWPSS-UHFFFAOYSA-N

• N-(4-Nitrobenzyl)cyclopropanesulfonamide

IUPAC Name: N-[(4-nitrophenyl)methyl]cyclopropanesulfonamide | CAS Registry Number: 1019855-82-3
Synonyms: SureCN1115783, CTK8C2241, ANW-68080, AKOS016007172, AK-80771, KB-258233

Molecular Formula:	C₁₀H₁₂N₂O₄S	Molecular Weight:	256.278280 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: XQVPEHCSXVREPP-UHFFFAOYSA-N

• N-(4-PHENOXYPHENYL)GUANIDINE

IUPAC Name: 2-(4-phenoxyphenyl)guanidine | CAS Registry Number: 105901-53-9
Synonyms: N-(4-phenoxyphenyl)guanidine, AG-D-19885, F2158-0699, 1-(4-phenoxyphenyl)guanidine, CHEMBL270121, CTK4A4198, AKOS005266509

Molecular Formula:	C₁₃H₁₃N₃O	Molecular Weight:	227.261820 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: VXVZHNGTRYMNIE-UHFFFAOYSA-N

• N-(4-tert-butyl-2-chlorophenyl)acetamide

IUPAC Name: N-(4-tert-butyl-2-chlorophenyl)acetamide | CAS Registry Number: 100141-30-8
Synonyms: N-(4-(tert-Butyl)-2-chlorophenyl)acetamide, Acetamide, N-[2-chloro-4-(1,1-dimethylethyl)phenyl]-, N-[4-(tert-butyl)-2-chlorophenyl]acetamide, ZINC00076040, ACMC-20a75d, AC1LAP95, SureCN3878977, CTK0G9033, MolPort-002-913-328, ANW-60191, Acetanilide, 2-chloro-4-tert-butyl-, AKOS016004485, RF01505, AK101426, KB-258184

Molecular Formula:	C₁₂H₁₆ClNO	Molecular Weight:	225.714540 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: NQEYFCHLAJWJIX-UHFFFAOYSA-N

• N-(5-(4-Chloro-2-hydroxyphenoxy)pyridin-2-yl)acetamide

IUPAC Name: N-[5-(4-chloro-2-hydroxyphenoxy)pyridin-2-yl]acetamide | CAS Registry Number: 1071966-42-1
Synonyms: CHEMBL1240883, MolPort-035-688-083, AKOS024258252, AK152818, AJ-114861

Molecular Formula:	C₁₃H₁₁ClN₂O₃	Molecular Weight:	278.691040 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: LRPGVRTXEASQNR-UHFFFAOYSA-N

• N-(5-Bromo-2-fluorobenzyl)ethanamine

IUPAC Name: N-[(5-bromo-2-fluorophenyl)methyl]ethanamine | CAS Registry Number: 1016718-58-3
Synonyms: 4-Bromo-2-ethylaminomethyl-1-fluorobenzene, AGN-PC-01P5T5, ACMC-2097w9, CTK8A9003, MolPort-004-323-243, ANW-14503, AKOS000161167, MCULE-9501332723, AK-95060, KB-258242, N-[(5-bromo-2-fluorophenyl)methyl]ethanamine

Molecular Formula:	C₉H₁₁BrFN	Molecular Weight:	232.092743 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: UBUGKRWECJFDHP-UHFFFAOYSA-N

• N-(5-methoxypyrimidin-2-yl)hexanamide

IUPAC Name: N-(5-methoxypyrimidin-2-yl)hexanamide | CAS Registry Number: 1057667-16-9
Synonyms: SureCN1994251, CTK4A4110, AG-L-60405, KB-56067

Molecular Formula:	C₁₁H₁₇N₃O₂	Molecular Weight:	223.271580 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: ZWBNJFBMNQGACS-UHFFFAOYSA-N

• N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)Carbamic acid ethyl ester

IUPAC Name: ethyl N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)carbamate | CAS Registry Number: 1005785-65-8
Synonyms: ETHYL 6-CHLOROIMIDAZO[1,2-B]PYRIDAZIN-2-YLCARBAMATE, PubChem19271, ACMC-2097r3, CTK8A8979, ANW-14317, AKOS015902568, AK-56668, AB1001104, KB-253823, I14-20130, Ethyl (6-chloroimidazo[1,2-b]pyridazin-2-yl)carbamate

Molecular Formula:	C₉H₉ClN₄O₂	Molecular Weight:	240.646360 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: CTEHXHUHMOJRRJ-UHFFFAOYSA-N

• N-(adamantan-1-yl)-1-(5-fluoropentyl)-1H-indole-3-carboxamide

IUPAC Name: N-(1-adamantyl)-1-(5-fluoropentyl)indole-3-carboxamide | CAS Registry Number: 1354631-26-7
Synonyms: STS-135, BCP0726000064, N-(Adamantan-1-yl)-1-(5-fluoropentyl)-1H-indole-3-carboxamide, 1-(5-FLUOROPENTYL)-N-(ADAMANTAN-1-YL)-1H-INDOLE-3-CARBOXAMIDE

Molecular Formula:	C₂₄H₃₁FN₂O	Molecular Weight:	382.514143 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: COYHGVCHRRXECF-UHFFFAOYSA-N

• N-(Benzo[d]oxazol-2-ylmethyl)propan-2-amine

IUPAC Name: N-(1,3-benzoxazol-2-ylmethyl)propan-2-amine | CAS Registry Number: 1040257-97-3
Synonyms: ZINC37390483, AKOS009041275

Molecular Formula:	C₁₁H₁₄N₂O	Molecular Weight:	190.241660 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: ZXRBNGVBMPKASY-UHFFFAOYSA-N

• N-(Benzoyl)piperazine-2,2,3,3,5,5,6,6-d8

IUPAC Name: (2,2,3,3,4,5,5,6-octadeuteriopiperazin-1-yl)-phenylmethanone | CAS Registry Number: 1219805-49-8

Molecular Formula:	C₁₁H₁₄N₂O	Molecular Weight:	198.295 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: VUNXBQRNMNVUMV-YQCSIQCNSA-N

• N-(beta-Hydroxyethyl)-2-nitro-p-toluidine

IUPAC Name: 2-(4-methyl-2-nitroanilino)ethanol | CAS Registry Number: 100418-33-5
Synonyms: 3-Nitro-4-Hydroxyethy Lamino Toluene, 2-(4-Methyl-2-nitrophenylamino)ethanol, 2-((4-Methyl-2-nitrophenyl)amino)ethanol, 4-(2-Hydroxyethylamino)-3-nitrotoluene, N-(2-Hydroxyethyl) 4-methyl-2-nitroaniline, 2-[(4-methyl-2-nitro-phenyl)amino]ethanol, SureCN24076, UNII-KL22OLP94K, KSC495C5D, ACMC-2097q1, Jsp000113, CTK3J5151, Hydroxyethyl-2-nitro-p-toluidine, MolPort-005-935-995, 2-(4-methyl-2-nitroanilino)ethanol, ANW-14279, SBB064231, ZINC21986906, AKOS009357247, AG-D-05471

Molecular Formula:	C₉H₁₂N₂O₃	Molecular Weight:	196.203180 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: SCZQUWZLEIYDBD-UHFFFAOYSA-N

• N-(BUT-3-EN-2-YLIDENEAMINO)-2,4-DINITRO-ANILINE

IUPAC Name: N-(but-3-en-2-ylideneamino)-2,4-dinitroaniline | CAS Registry Number: 2675-19-6
Synonyms: NSC230258, CID313957

Molecular Formula:	C₁₀H₁₀N₄O₄	Molecular Weight:	250.210800 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: JIPPLQKHXOGGSF-UHFFFAOYSA-N