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• 5-Bromo-2-hydroxybenzonitrile

IUPAC Name: 5-bromo-2-hydroxybenzonitrile | CAS Registry Number: 40530-18-5
Synonyms: ZINC02516785, EINECS 254-958-1, CID2757014, ST5165651

Molecular Formula:	C₇H₄BrNO	Molecular Weight:	198.016760 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: PVCONXMDUZOPJH-UHFFFAOYSA-N

• 2,4-Dimethoxy-5-Chloro Aniline

IUPAC Name: 5-chloro-2,4-dimethoxyaniline | CAS Registry Number: 97-50-7
Synonyms: ITR Amine, 5-Chloro-2,4-dimethoxyaniline, MLS000104970, 35991_RIEDEL, 5-Chloro-2,4-dimethoxyaminobenzene, Aniline, 5-chloro-2,4-dimethoxy-, Benzenamine, 5-chloro-2,4-dimethoxy-, NSC50657, EINECS 202-586-5, NSC 50657, SBB003682, ZINC02571416, SMR000054899, Aniline, 5-chloro-2,4-dimethoxy- (8CI), TL80073598, InChI=1/C8H10ClNO2/c1-11-7-4-8(12-2)6(10)3-5(7)9/h3-4H,10H2,1-2H

Molecular Formula:	C₈H₁₀ClNO₂	Molecular Weight:	187.623500 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: OLCMNCWEUMBNIS-UHFFFAOYSA-N

• 5-(4-tert-Butylbenzylthio)-2-(3-chlorobenzylthio)-1,3,4-thiadiazole

IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-5-[(3-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazole | CAS Registry Number: 353254-78-1
Synonyms: AI-067/31571004, ZINC02171199, AC1LY02Q, CTK4H4261, MolPort-000-159-946, AG-F-22152, MCULE-4356958586, KB-196022, FT-0644500, 5-(4-tert-Butylbenzylthio)-2-(3-chlorobenzylthio)-, 2-[(4-tert-butylbenzyl)sulfanyl]-5-[(3-chlorobenzyl)sulfanyl]-1,3,4-thiadiazole, 1,3,4-Thiadiazole,2-[[(3-chlorophenyl)methyl]thio]-5-[[[4-(1,1-dimethylethyl)phenyl]methyl]thio]-, 2-[(4-tert-butylphenyl)methylsulfanyl]-5-[(3-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazole

Molecular Formula:	C₂₀H₂₁ClN₂S₃	Molecular Weight:	421.042140 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: DXNJVLRDLSHLLT-UHFFFAOYSA-N

• 7-Chloroindole

IUPAC Name: 7-chloro-1H-indole | CAS Registry Number: 53924-05-3
Synonyms: nchembio711-5, 7-Chloro-1H-indole, 473731_ALDRICH, EINECS 258-865-7, SBB004058, ZINC00403204, C2289G1, TL8003536, C-4250

Molecular Formula:	C₈H₆ClN	Molecular Weight:	151.592940 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: WMYQAKANKREQLM-UHFFFAOYSA-N

• 2-FLUORO-2-DEOXY-D -GLUCOSE

IUPAC Name: (2R,3S,4R,5R)-2-fluoro-3,4,5,6-tetrahydroxyhexanal | CAS Registry Number: 86783-82-6
Synonyms: (2R,3S,4R,5R)-2-fluoro-3,4,5,6-tetrahydroxyhexanal, SBB066312, 29702-43-0, PubChem6311, 2-Deoxy-2-fluoromannose, 2-Fluoro-2-deoxy-D-mannose, D-Glucose,2-deoxy-2-fluoro-, AC1L54W0, D-Mannose, 2-deoxy-2-fluoro-, CHEBI:49135, CTK4G3682, MolPort-003-983-959, 38440-79-8, 2-deoxy-2-fluoro-aldehydo-D-glucose, ZINC01846431, AKOS006272985, AK110824, KB-68586, KB-206515, FT-0081443

Molecular Formula:	C₆H₁₁FO₅	Molecular Weight:	182.146943 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	6

InChIKey: AOYNUTHNTBLRMT-SLPGGIOYSA-N

• 1-Cyanoethyl-2-Phenylimidazole

IUPAC Name: 3-(2-phenylimidazol-1-yl)propanenitrile | CAS Registry Number: 23996-12-5
Synonyms: ZINC02508142, CID90325, EINECS 245-972-9, SDCCGMLS-0066172.P001, 2-Phenyl-1H-imidazole-1-propiononitrile, 1H-Imidazole-1-propanenitrile, 2-phenyl-, 145150-83-0, 83930-92-1

Molecular Formula:	C₁₂H₁₁N₃	Molecular Weight:	197.235840 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: BVYPJEBKDLFIDL-UHFFFAOYSA-N

• 1-Benzyl Indole-3-Carboxylic Acid

IUPAC Name: 1-(phenylmethyl)indole-3-carboxylic acid | CAS Registry Number: 27018-76-4
Synonyms: CBMicro_033327, 1-Benzylindole-3-carboxylic acid, Oprea1_193229, B8875_SIGMA, ZERO/008796, BRN 0404957, 1-Benzyl-1H-indole-3-carboxylic acid, INDOLE-3-CARBOXYLIC ACID, 1-BENZYL-, BAS 00297569, LS-82533, BIM-0033291.P001, B-1200, 5-22-03-00037 (Beilstein Handbook Reference)

Molecular Formula:	C₁₆H₁₃NO₂	Molecular Weight:	251.279920 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: LVYDDRHDOKXFMW-UHFFFAOYSA-N

• 1-(2'-Dimethylamino-Ethyl)-5-Mercapto-Tetrazole

IUPAC Name: 1-(2-dimethylaminoethyl)-2H-tetrazole-5-thione | CAS Registry Number: 61607-68-9
Synonyms: 522333_ALDRICH, EINECS 262-868-9, 1-[2-(Dimethylamino)ethyl]-1H-tetrazole-5-thiol, 1-[2-(Dimethylamino)ethyl]-1H-tetraazol-5-yl hydrosulfide, 1-(2-(Dimethylamino)ethyl)-1,2-dihydro-5H-tetrazole-5-thione, 5H-Tetrazole-5-thione, 1-[2-(dimethylamino)ethyl]-1,2-dihydro-

Molecular Formula:	C₅H₁₁N₅S	Molecular Weight:	173.239340 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: ODDAWJGQWOGBCX-UHFFFAOYSA-N

• 1-Benzyl-3-Methoxy Carbonyl-4-Piperidone

IUPAC Name: methyl 1-benzyl-4-oxopiperidine-3-carboxylate | CAS Registry Number: 57611-47-9
Synonyms: 1-Benzyl-3-methoxycarbonyl-4-piperidone, methyl 1-benzyl-4-oxopiperidine-3-carboxylate, n-benzyl-3-carbomethoxy-4-piperidone, ST50308370, Maybridge3_005376, 1-Benzyl-3-methoxycarbonyl-4-piperidone HCl, PubChem2480, zlchem 1091, AC1Q6KT7, SureCN1339973, Oprea1_029431, STOCK1S-52401, CTK8B4338, ZLD0559, MolPort-000-002-327, HMS1446E08, AC1L3281, ACT02097, AB1168, ANW-44718

Molecular Formula:	C₁₄H₁₇NO₃	Molecular Weight:	247.289680 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: PHTILULPLFUXPS-UHFFFAOYSA-N

• 4-Hydroxy-2,5-Dimethyl-3(2H)-Furanone

IUPAC Name: 4-hydroxy-2,5-dimethylfuran-3-one | CAS Registry Number: 3658-77-3
Synonyms: Furaneol, Alletone, Pineapple ketone, Strawberry furanone, Dimethylhydroxy furanone, Coe 536, FEMA No. 3174, FEMA 3174, W317403_ALDRICH, W317411_ALDRICH, W317454_ALDRICH, 2,5-Dimethyl-4-hydroxy-3(2H)-furanone, 40703_FLUKA, EINECS 222-908-8, 3(2H)-Furanone, 4-hydroxy-2,5-dimethyl-, 4-Hydroxy-2,5-dimethyl-3(2H)-furanone, 4-hydroxy-2,5-dimethylfuran-3-one, BRN 1281357, 4-Hydroxy-2,5-dimethylfuran-2(3H)-one, LS-2407

Molecular Formula:	C₆H₈O₃	Molecular Weight:	128.125920 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: INAXVXBDKKUCGI-UHFFFAOYSA-N

• 4-Nitroisoquinoline

IUPAC Name: 4-nitroisoquinoline | CAS Registry Number: 36073-93-5
Synonyms: SBB066331, AG-F-25503, PubChem6273, Isoquinoline, 4-nitro-, CTK1C2011, MolPort-002-496-093, ANW-56604, RW3245, ZINC15781225, AKOS006293486, QC-3109, AK-25848, AM807234, KB-40100, TL8002670, FT-0082130, FT-0601987, A823113

Molecular Formula:	C₉H₆N₂O₂	Molecular Weight:	174.156140 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: ZSKGNSYZTHMDSD-UHFFFAOYSA-N

• (1S,2S,3R,6S)-6Amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol hydrochloride

IUPAC Name: (1S,2S,3R,6S)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol | CAS Registry Number: 38231-86-6
Synonyms: Valienamine, CID193758, 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-ENE-1,2,3-TRIOL, ACI, (1R,2R,3S,6R)-6-AMINO-4-(HYDROXYMETHYL)CYCLOHEX-4-ENE-1,2,3-TRIOL, 4-Cyclohexene-1,2,3-triol, 6-amino-4-(hydroxymethyl)-, (1S-(1alpha,2beta,3alpha,6alpha))-, ADH, CMN, CYL, HMC

Molecular Formula:	C₇H₁₃NO₄	Molecular Weight:	175.182420 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	5

InChIKey: XPHOBMULWMGEBA-VZFHVOOUSA-N

• 4,4'-BIS (METHOXYMETHYL)DIPHENYL ETHER

IUPAC Name: 1-(methoxymethyl)-2-[2-(methoxymethyl)phenoxy]benzene | CAS Registry Number: 29060-60-4
Synonyms: SCHEMBL6931451, CTK4G2662, DTXSID70890819, Benzene,1,1'-oxybis[(methoxymethyl)-

Molecular Formula:	C₁₆H₁₈O₃	Molecular Weight:	258.310 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: DIWPUBCVPCXHGL-UHFFFAOYSA-N

• 2-Hydroxy-5-chloropyrimidine

IUPAC Name: 5-chloro-1H-pyrimidin-2-one | CAS Registry Number: 54326-16-8
Synonyms: 5-Chloropyrimidin-2-one, Ambap3634, 5-Chloro-2-hydroxypyrimidine, 2(1H)-Pyrimidinone, 5-chloro-, 5-Chloro-1H-pyrimidin-2-one, 5-Chloro-2(1H)-pyrimidinone, EINECS 259-106-2, NY 3000, ZINC02504534, LS-135863, 107646-95-7

Molecular Formula:	C₄H₃ClN₂O	Molecular Weight:	130.532420 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: OCSYCDVQABSEPJ-UHFFFAOYSA-N

• 2-Amino-4,4'-Dichloro Diphenyl Ether

IUPAC Name: 5-chloro-2-(4-chlorophenoxy)aniline | CAS Registry Number: 121-27-7
Synonyms: Fast Red FR base, 4,4'-Chloro-2-aminodiphenyl ether, 5-Chloro-2-(p-chlorophenoxy)aniline, 2-Amino-4,4'-dichlorodiphenyl ether, 4,4'-Dichloro-2-aminodiphenyl ether, NSC42129, EINECS 204-460-5, NSC 42129, ZINC00157938, 5-Chloro-2-(4-chlorophenoxy)aniline, Benzenamine, 5-chloro-2-(4-chlorophenoxy)-, Aniline, 5-chloro-2-(p-chlorophenoxy)-, Aniline, 5-chloro-2-(p-chlorophenoxy)- (8CI), 56646-10-7

Molecular Formula:	C₁₂H₉Cl₂NO	Molecular Weight:	254.111960 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: WLJSUJOESWTGEX-UHFFFAOYSA-N

• 2,4-Difluorobenzamide

IUPAC Name: 2,4-difluorobenzamide | CAS Registry Number: 85118-02-1
Synonyms: Benzamide, 2,4-difluoro-, 566373_ALDRICH, ZINC00167180, EINECS 285-654-7, CID123588

Molecular Formula:	C₇H₅F₂NO	Molecular Weight:	157.117506 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: KTXFXDMDYZIXSJ-UHFFFAOYSA-N

• 2-Acetyl-5-Bromo-6-Methoxy Naphthalene

IUPAC Name: 1-(5-bromo-6-methoxynaphthalen-2-yl)ethanone | CAS Registry Number: 84167-74-8
Synonyms: 2-ACETYL-5-BROMO-6-METHOXYNAPHTHALENE, 6-Acetyl-1-bromo-2-methoxynaphthalene, 2-aceryl-5-bromo-6-methoxynaphthalene, ZINC02145003, AC1LDNF8, ACMC-209pu0, SureCN7736295, CTK5F1918, MolPort-003-663-536, ANW-37750, AKOS004902246, AG-C-90516, AG-H-36182, 5'-Bromo-6'-methoxy-2'-acetonaphthone, KB-166868, FT-0641942, 1-(5-bromo-6-methoxynaphthalen-2-yl)ethanone, A11762, Ethanone, 1-(5-bromo-6-methoxy-2-naphthyl)-, Ethanone, 1-(5-bromo-6-methoxy-2-naphthalenyl)-

Molecular Formula:	C₁₃H₁₁BrO₂	Molecular Weight:	279.129240 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: KDDYYAXVVDTNND-UHFFFAOYSA-N

• 2,5-Diamino Phenyl Ethanol

IUPAC Name: 1-(2,5-diaminophenyl)ethanol sulfate | CAS Registry Number: 93841-25-9
Synonyms: EINECS 298-995-1, Hydroxyethyl-p-phenylenediamine sulfate, 3-(2-Hydroxyethyl)-p-phenylenediammonium sulphate

Molecular Formula:	C₈H₁₂N₂O₅S-₂	Molecular Weight:	248.256280 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	7

InChIKey: PYHIZOBOFKBJLD-UHFFFAOYSA-L

• 2,5-Diaminobenzotrifluoride

IUPAC Name: 2-(trifluoromethyl)benzene-1,4-diamine | CAS Registry Number: 364-13-6
Synonyms: 540439_ALDRICH, ZINC01233396, 2-(Trifluoromethyl)-1,4-phenyldiamine, CID136197, 2-(Trifluoromethyl)-1,4-phenylenediamine, ST5408061

Molecular Formula:	C₇H₇F₃N₂	Molecular Weight:	176.139090 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: ZQQOGBKIFPCFMJ-UHFFFAOYSA-N

• 2,4-Dichloro-5-fluoropyrimidine

IUPAC Name: 2,4-dichloro-5-fluoropyrimidine | CAS Registry Number: 2927-71-1
Synonyms: NCIOpen2_000539, 653233_ALDRICH, NSC70442, CID250705, ZINC01696262, Pyrimidine, 5-fluoro-2,4-dichloro-, A3960/0168745

Molecular Formula:	C₄HCl₂FN₂	Molecular Weight:	166.968543 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: WHPFEQUEHBULBW-UHFFFAOYSA-N

• 2-ISO-PROPYLBENZALDEHYDE

IUPAC Name: 2-propan-2-ylbenzaldehyde | CAS Registry Number: 6502-22-3
Synonyms: 2-Isopropylbenzaldehyde, 2-iso-propylbenzaldehyde, 2-(Propan-2-Yl)Benzaldehyde, Isopropylbenzaldehyde, ZINC04267232, AC1LBX5R, AC1Q1OUS, 2-propan-2-ylbenzaldehyde, CTK3J3306, EINECS 259-433-0, AKOS010078186, AG-G-44282, AK136026, KB-173348, FT-0647658, Benzaldehyde,o-isopropyl- (6CI,7CI,8CI); 2-Isopropylbenzaldehyde; o-Isopropylbenzaldehyde, 55012-32-3

Molecular Formula:	C₁₀H₁₂O	Molecular Weight:	148.201680 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: DTALCVXXATYTQJ-UHFFFAOYSA-N

• 3-Chlorocarbonyl-1-methanesulfonyl-2-imidazolidinone

IUPAC Name: 3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl chloride | CAS Registry Number: 41762-76-9
Synonyms: 561312_ALDRICH, EINECS 255-540-1, 3-(Methylsulphonyl)-2-oxoimidazolidine-1-carbonyl chloride

Molecular Formula:	C₅H₇ClN₂O₄S	Molecular Weight:	226.638080 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: ZWTPALHHEULAPI-UHFFFAOYSA-N

• 2-Diethylaminoethyl Mercaptan

IUPAC Name: 2-(diethylamino)ethanethiol | CAS Registry Number: 100-38-9
Synonyms: Diethylcysteamine, Diethylcysteamin, Diethylaminoethanethiol, N-Diethyl cysteamine, N-diethylcysteamine, Diethyl(2-mercaptoethyl)amine, N-Diaethyl cysteamin, N,N-Diethyl-cysteamine, N,N-Diethylcysteamine, 2-Diethylaminoethanethiol, Triethylamine, 2-mercapto-, 2-(Diethylamino)ethanethiol, Ethanethiol, 2-(diethylamino)-, 2-diethylamino-ethanethiol, 2-(Diethylamino)ethyl mercaptan, 2-(Diethylamino)ethylmercaptan, N-Diaethyl cysteamin [German], beta-Diethylaminoethyl mercaptan, 2-Diethylaminoethyl mercaptan, EINECS 202-846-8

Molecular Formula:	C₆H₁₅NS	Molecular Weight:	133.255000 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: YBDSNEVSFQMCTL-UHFFFAOYSA-N

• 2-(4-Nitrophenyl)malondialdehyde

IUPAC Name: 2-(4-nitrophenyl)propanedial | CAS Registry Number: 18915-53-2
Synonyms: 2-(4-nitrophenyl)malonaldehyde, 2-(4-nitrophenyl)propanedial, Ambpe2009165, CTK7H7688, MolPort-001-770-112, 2-(4-nitrophenyl)propane-1,3-dial, SBB091549, AKOS006227796, AG-A-31557, AG-E-38047, KB-83372, A813303, Malonaldehyde,(p-nitrophenyl)- (7CI,8CI); Propanedial, (4-nitrophenyl)- (9CI)

Molecular Formula:	C₉H₇NO₄	Molecular Weight:	193.156180 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: AXZKOZLDEWIJPX-UHFFFAOYSA-N

• 2-Aminobenzaldehyde

IUPAC Name: 2-aminobenzaldehyde | CAS Registry Number: 529-23-7
Synonyms: o-Aminobenzaldehyde, Benzaldehyde, 2-amino-, A9628_SIGMA, ghl.PD_Mitscher_leg0.1278, EINECS 208-454-3, SL-00701, AI3-52264

Molecular Formula:	C₇H₇NO	Molecular Weight:	121.136580 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: FXWFZIRWWNPPOV-UHFFFAOYSA-N

• 1-(2-MethoxyPhenyl) Piperazine Hydrobromide

IUPAC Name: 1-(2-methoxyphenyl)piperazine;hydrobromide | CAS Registry Number: 100939-96-6
Synonyms: 1-(2-Methoxyphenyl)piperazine hydrobromide, 1-(2-Methoxylphenyl)-piperazine monohydrobromide, ACMC-209tni, KSC174I9B, Jsp000172, CTK0H4490, MolPort-003-986-168, BB_SC-2390, ANW-42700, AKOS007930144, AG-C-90153, AC-15747, AK-51525, 1-(2-methoxylphenyl)piperazine hydrobromide, KB-146791, KB-213226, TL8000078, FT-0602258, 1-(2-Methoxylphenyl)piperazine monohydrobromide, M-1422

Molecular Formula:	C₁₁H₁₇BrN₂O	Molecular Weight:	273.169480 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: QPAHBXFXDDEKNB-UHFFFAOYSA-N

• 5-Norbonene-2,3-dicarboximide

Synonyms: Norendimide, Oprea1_059544, 5-Norbornene-2,3-dicarboximide, NSC31977, NSC31978, NSC53245, 5-Norbornene-2,3-dicarboximide, cis-endo-, 5-Norbornene-endo-2,3-dicarboximide, NSC147237, STK246607, 3,6-Endomethylenetetrahydrophthalimide, NSC 147237, NCGC00160680-01, Norborn-5-ene-2,3-cis-exo-dicarboximide, Bicyclo(2.2.1)hept-5-ene-2,3-dicarboximide, K 2154, K-2154, cis-3,6-Endomethylene-delta4-tetrahydrophthalimide, 3,6-Endomethylene-4-cyclohexene-1,2-dicarboximide, 3,6-Endomethylenephthalimide, 1,2,3,4-tetrahydro-

Molecular Formula:	C₉H₉NO₂	Molecular Weight:	163.173260 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: GPIUUMROPXDNRH-UHFFFAOYSA-N

• 1,2-Dimethyl-1H-indole-3-carboxaldehyde

IUPAC Name: 1,2-dimethylindole-3-carbaldehyde | CAS Registry Number: 38292-40-9
Synonyms: 1,2-Dimethyl-1H-indole-3-carbaldehyde, 1,2-dimethylindole-3-carbaldehyde, 1,2-Dimethyl-3-formyl-1H-indole, ZERO/005144, PubChem7266, AC1LCCEY, 1,2-Dimethyl-3-formylindole, CTK4H9634, TOS-BB-0652, MolPort-000-159-549, BB_SC-0164, ALBB-007652, BBL023349, SBB010161, STK279671, ZINC00059844, AKOS000265809, AB07014, MCULE-9365126003, 1,2-DIMETHYINDOLE-3-CARBALDEHYDE

Molecular Formula:	C₁₁H₁₁NO	Molecular Weight:	173.211140 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: HYGUWHAXRMPCCP-UHFFFAOYSA-N

• 2-Methoxy-3-Methylpyrazine

IUPAC Name: 2-methoxy-3-methylpyrazine | CAS Registry Number: 68378-13-2
Synonyms: (Methoxy)methylpyrazine, 2-METHOXY-3-METHYLPYRAZINE, Pyrazine, 2-methoxy-3-methyl-, 2-Methoxy-6-methylpyrazine, 2-Methyl-3-methoxypyrazine, 5-Methoxy-3-methylpyrazine, 2-Methoxy-3-methyl-pyrazine, W318302_ALDRICH, FEMA No. 3183, 297941_ALDRICH, Jsp005456, Pyrazine, 2-methoxy-6-methyl-, VKJIAEQRKBQLLA-UHFFFAOYSA-, 2-Methoxy-3(or5)-methylpyrazine, CHEBI:254886, MolPort-003-894-598, ZINC00405269, CID17898, EINECS 220-651-6, EINECS 220-737-3

Molecular Formula:	C₆H₈N₂O	Molecular Weight:	124.140520 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: VKJIAEQRKBQLLA-UHFFFAOYSA-N

• 4-Trifluoromethyl diphenyl sulfide

IUPAC Name: 1-phenylsulfanyl-4-(trifluoromethyl)benzene | CAS Registry Number: 53451-90-4
Synonyms: PubChem10703, AGN-PC-00MKKH, SureCN4455809, 4-Trifluoromethyldiphenyl sulfide, MolPort-003-987-818, ZINC19615573, AKOS015898875, RP29063, AC-16460, U532, TL8006825, Benzene, 1-(phenylthio)-4-(trifluoromethyl)-, I09-1474

Molecular Formula:	C₁₃H₉F₃S	Molecular Weight:	254.270770 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: VBQZDUABIJNHRP-UHFFFAOYSA-N

• 2,3-Dimethoxy Cinnamic Acid

IUPAC Name: (E)-3-(2,3-dimethoxyphenyl)prop-2-enoic acid | CAS Registry Number: 7461-60-1
Synonyms: 2,3-Dimethoxycinnamic acid, 2',3'-Dimethoxycinnamic acid, 275484_ALDRICH, trans-2,3-Dimethoxycinnamic acid, ALBB-006208, EINECS 231-249-5, (2E)-3-(2,3-dimethoxyphenyl)acrylic acid, ST5137726, (2E)-3-(2,3-Dimethoxyphenyl)-2-propenoic acid, 2-Propenoic acid, 3-(2,3-dimethoxyphenyl)-, 2-Propenoic acid, 3-(2,3-dimethoxyphenyl)-, (E)-, 7345-82-6, InChI=1/C11H12O4/c1-14-9-5-3-4-8(11(9)15-2)6-7-10(12)13/h3-7H,1-2H3,(H,12,13)/b7-6

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

InChIKey: QAXPUWGAGVERSJ-VOTSOKGWSA-N

• 2',3',4'-Trichloroacetophenone

IUPAC Name: 1-(2,3,4-trichlorophenyl)ethanone | CAS Registry Number: 13608-87-2
Synonyms: CCRIS 785, 2',3',4'-TRICHLOROACETOPHENONE, 178381_ALDRICH, EINECS 237-092-9, 1-(2,3,4-Trichlorophenyl)ethanone, Acetophenone, 2',3',4'-trichloro-, Ethanone, 1-(2,3,4-trichlorophenyl)-, LS-796, ZINC00056484, NCGC00091193-01, ST5308555, TL8000838

Molecular Formula:	C₈H₅Cl₃O	Molecular Weight:	223.483700 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: BXJZZJYNVIDEKG-UHFFFAOYSA-N

• 2-Chloro-4,6-Dinitro Phenol

IUPAC Name: 2-chloro-4,6-dinitrophenol | CAS Registry Number: 946-31-6
Synonyms: 2-Chloro-4,6-dinitrophenol, USAF DO-60, 2,4-Dinitro-6-chlorophenol, NSC3, NSC 3, Phenol, 2-chloro-4,6-dinitro-, WLN: WNR BQ CG ENW, 6-CHLORO-2,4-DINITROPHENOL, 124613_ALDRICH, NSC 6072, EINECS 213-419-0, NSC6072, NSC 38993, NSC38993, BRN 1980567, AI3-14998, LS-104234, ST5409729, 4-06-00-01386 (Beilstein Handbook Reference)

Molecular Formula:	C₆H₃ClN₂O₅	Molecular Weight:	218.551420 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: PCBCIXWBAPIVDV-UHFFFAOYSA-N

• 3-Methoxy-4-HydroxyPropiophenone

IUPAC Name: 1-(4-hydroxy-3-methoxyphenyl)propan-1-one | CAS Registry Number: 1835-14-9
Synonyms: Propioguaiacol, Propioguaiacone, Propiovanillone, 4-Hydroxy-3-methoxypropiophenone, 3-Methoxy-4-hydroxypropiophenone, MLS000776976, MLS001049078, AIDS113491, BB_NC-0331, AIDS-113491, NSC16691, NSC 16691, ZINC00494463, Propiophenone, 4'-hydroxy-3'-methoxy, 1-Propanone, 1-(4-hydroxy-3-methoxyphenyl), SMR000386916, 1-Propanone, 1-(4-hydroxy-3-methoxyphenyl)-, 4'-HYDROXY-3'-METHOXYPROPIOPHENONE, 1-(4-hydroxy-3-methoxyphenyl)-1-propanone, 1-(4-Hydroxy-3-methoxy-phenyl)-propan-1-one

Molecular Formula:	C₁₀H₁₂O₃	Molecular Weight:	180.200480 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: FBGXENQFSMMBNY-UHFFFAOYSA-N

• 4-Fluorocatechol

IUPAC Name: 4-fluorobenzene-1,2-diol | CAS Registry Number: 367-32-8
Synonyms: 4-fluorobenzene-1,2-diol, 1,2-Benzenediol, 4-fluoro-, c1064, ZINC02244021, C16473

Molecular Formula:	C₆H₅FO₂	Molecular Weight:	128.101103 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: NFWGQJUHSAGJBE-UHFFFAOYSA-N

• 3,4-difluore thiophenol

IUPAC Name: 3,4-difluorobenzenethiolate | CAS Registry Number: 60811-24-7
Synonyms: ZINC00404111, CID6951274

Molecular Formula:	C₆H₃F₂S-	Molecular Weight:	145.149826 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: BGVRHDQMTMPAEZ-UHFFFAOYSA-M

• 2-PYRIDINEMETHANOL HCL

IUPAC Name: pyridin-2-ylmethanol | CAS Registry Number: 6329-89-1
Synonyms: 2-PYRIDINEMETHANOL, 2-Pyridinylmethanol, 2-Pyridylmethanol, Piconolum, 2-Pyridylcarbinol, alpha-Picolyl alcohol, Piconolum [Latin], 2-(Hydroxymethyl)pyridine, Pyridine-2-carbinol, 2-Pyridyl carbinol, Piconol [INN], pyridin-2-ylmethanol, .alpha.-Picolyl alcohol, omega-Hydroxy-2-picoline, UNII-7HQ8UT1TPS, P66602_ALDRICH, 55770_FLUKA, EINECS 209-592-7, MolPort-000-142-271, CID11474

Molecular Formula:	C₆H₇NO	Molecular Weight:	109.125880 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: SHNUBALDGXWUJI-UHFFFAOYSA-N

• 3-chloro-2-methylphenyl methyl sulfide

IUPAC Name: 1-chloro-2-methyl-3-methylsulfanylbenzene | CAS Registry Number: 82961-52-2
Synonyms: 3-Chloro-2-methylphenyl methyl sulfide, 2-Methyl-3-chlorothioanisole, PubChem10673, AGN-PC-002LLH, SureCN4030686, CTK5F0242, 2-Chloro-6-(methylthio)toluene;, MolPort-003-987-815, 3-Chloro-2-methylphenylmethylsulfide, ZINC21303101, AKOS006289233, AG-H-31693, RP23506, 1-chloro-2-methyl-3-(methylthio)benzene, AC-16439, I278, KB-30892, TL8006813, Benzene,1-chloro-2-methyl-3-(methylthio)-, FT-0692104

Molecular Formula:	C₈H₉ClS	Molecular Weight:	172.675060 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: QNMYJMZVOFQIRD-UHFFFAOYSA-N

• 4-Nitrosophenol

IUPAC Name: 4-nitrosophenol | CAS Registry Number: 104-91-6
Synonyms: Nitrosophenol, p-Nitrosophenol, Quinone oxime, Quinone monoxime, Phenol, 4-nitroso-, Phenol, p-nitroso-, Quinone monooxime, Quinone 4-oxime, p-Quinone monoxime, 4-NITROSOPHENOL, p-Quinone monooxime, para-Nitrosophenol, p-Benzoquinone 4-oxime, p-Benzoquinone, monooxime, 4-Nitrosofenol [Czech], p-Chinonmonoxim [Czech], 1,4-Benzoquinone 4-oxime, 1,4-Benzoquinone monoxime, WLN: QR DNO, CCRIS 4710

Molecular Formula:	C₆H₅NO₂	Molecular Weight:	123.109400 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: JSTCPNFNKICNNO-UHFFFAOYSA-N

• 2,4-Dihydroxybenzonitrile

IUPAC Name: 2,4-dihydroxybenzonitrile | CAS Registry Number: 64419-24-5
Synonyms: EINECS 264-886-2, CID3017520, TL8007043

Molecular Formula:	C₇H₅NO₂	Molecular Weight:	135.120100 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: JFZAJWBGISKERI-UHFFFAOYSA-N

• 3-Chloro Salicylic Acid

IUPAC Name: 3-chloro-2-hydroxybenzoic acid | CAS Registry Number: 1829-32-9
Synonyms: 3-Chlorosalicylic acid, Benzoic acid, 3-chloro-2-hydroxy-, Salicylic acid, 3-chloro-, 275697_ALDRICH, NSC18854, Salicylic acid, 3-chloro- (8CI), EINECS 217-379-5, NSC 18854, Benzoic acid, 3-chloro-2-hydroxy- (9CI), InChI=1/C7H5ClO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9H,(H,10,11

Molecular Formula:	C₇H₅ClO₃	Molecular Weight:	172.565800 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: PPINMMULCRBDOS-UHFFFAOYSA-N

• 2-Acetyl Benzimidazole

IUPAC Name: 1-(1H-benzimidazol-2-yl)ethanone | CAS Registry Number: 939-70-8
Synonyms: 2-Acetylbenzimidazole, 1-(1H-Benzoimidazol-2-yl)-ethanone, ZERO/009163, ZINC00260175, Ethanone, 1-(1H-benzimidazol-2-yl)-, BAS 00619146, EC-000.1513, EU-0063375, InChI=1/C9H8N2O/c1-6(12)9-10-7-4-2-3-5-8(7)11-9/h2-5H,1H3,(H,10,11

Molecular Formula:	C₉H₈N₂O	Molecular Weight:	160.172620 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: UYFMRVDIXXOWLR-UHFFFAOYSA-N

• 8-Mercaptoquinoline hydrochloride

IUPAC Name: quinoline-8-thiol | CAS Registry Number: 34006-16-1
Synonyms: 8-Mercaptoquinoline, 8-Quinolinethiol, Sodium quinolinethiolate, NCIOpen2_001790, SQT-8, 8-MQ, AIDS110552, AIDS-110552, NSC48888, 491-33-8

Molecular Formula:	C₉H₇NS	Molecular Weight:	161.223580 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: MHTSJSRDFXZFHQ-UHFFFAOYSA-N

• 3-Bromo-4-hydroxyphenylacetic acid

IUPAC Name: 2-(3-bromo-4-hydroxyphenyl)acetic acid | CAS Registry Number: 38692-80-7
Synonyms: Ambap7653, EINECS 254-089-8, B-8300

Molecular Formula:	C₈H₇BrO₃	Molecular Weight:	231.043380 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: BFVCOQXPSXVGPS-UHFFFAOYSA-N

• 1,4-DIACETOXY-2-OXOBUTANE

IUPAC Name: (4-acetyloxy-3-oxobutyl) acetate | CAS Registry Number: 33245-14-6
Synonyms: ghl.PD_Mitscher_leg0.690, AC1NSRHO, CTK4H0274, (4-acetyloxy-3-oxobutyl) acetate, AKOS006285484, AG-F-12019, KB-150788

Molecular Formula:	C₈H₁₂O₅	Molecular Weight:	188.177880 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: UNADEJREIUXXMI-UHFFFAOYSA-N

• 4-Cyanoindole

IUPAC Name: 1H-indole-4-carbonitrile | CAS Registry Number: 16136-52-0
Synonyms: 1H-indole-4-carbonitrile, 645532_ALDRICH, ZINC02517173, ALBB-004773, ZERO/009590, CID3817602, C-8800

Molecular Formula:	C₉H₆N₂	Molecular Weight:	142.157340 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: CEUFGDDOMXCXFW-UHFFFAOYSA-N

• 5-Nitro-2-ThiopheneCarboxaldehyde

IUPAC Name: 5-nitrothiophene-2-carbaldehyde | CAS Registry Number: 4521-33-9
Synonyms: 5-Nitro-thiophene-2-carbaldehyde, 302295_ALDRICH, 5-Nitrothiophene-2-carbaldehyde, 5-Nitro-2-thiophenecarboxaldehyde, Thiophenecarboxaldehyde, 5-nitro-, EINECS 224-850-9, NSC168226, STK023185, TF4026, ZINC00154896, TL8003136, 21512-16-3

Molecular Formula:	C₅H₃NO₃S	Molecular Weight:	157.147220 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: CHTSWZNXEKOLPM-UHFFFAOYSA-N

• 1-(P-Tolyl)-3-Methyl-5-Pyrazolone

IUPAC Name: 5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one | CAS Registry Number: 86-92-0
Synonyms: 3-Methyl-1-p-tolyl-5-pyrazolone, 1-(p-Tolyl)-3-methyl-5-pyrazolone, AIDS020261, ARONIS022638, EINECS 201-708-4, 3-Methyl-1-p-tolyl-pyrazolin-5-one, AIDS-020261, CID66591, 2-Pyrazolin-5-one, 3-methyl-1-p-tolyl-, BRN 0610651, SBB003677, ZINC00053875, SDCCGMLS-0066222.P001, LS-128911, 2-Pyrazolin-5-one, 3-methyl-1-(4-methylphenyl)-, 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-(4-methylphenyl)-

Molecular Formula:	C₁₁H₁₂N₂O	Molecular Weight:	188.225780 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: IOQOLGUXWSBWHR-UHFFFAOYSA-N

• 3-Methyl-7-Propyl Xanthine

IUPAC Name: 3-methyl-7-propylpurine-2,6-dione | CAS Registry Number: 55242-64-3
Synonyms: 3-Methyl-7-propylxanthine, 3-methyl-7-propylpurine-2,6-dione, ChemDiv2_008535, PubChem9432, ACMC-209llt, AC1MO4BI, AC1Q2XWH, SureCN1495090, Oprea1_099760, CTK1G9149, MHNVSFOURBQRPK-UHFFFAOYSA-, MolPort-003-950-679, HMS1393L01, ANW-32271, ZINC00224909, AKOS002138709, AG-B-97586, MCULE-7483280693, 3-methyl-7-propyl-1H-purine-2,6-dione, AC-18330

Molecular Formula:	C₉H₁₂N₄O₂	Molecular Weight:	208.217180 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: MHNVSFOURBQRPK-UHFFFAOYSA-N

• 4-Methyl-5-Ethoxyoxazole

IUPAC Name: 5-ethoxy-4-methyl-1,3-oxazole | CAS Registry Number: 5006-20-2
Synonyms: 5-Ethoxy-4-methyloxazole, 4-Methyl-5-ethoxyoxazole, Oxazole, 5-ethoxy-4-methyl-, 5-ethoxy-4-methyl-1,3-oxazole, zlchem 941, PubChem8651, SureCN618431, 4-Methyl-5-ethoxyoxazole;, 5-Ethoxy-4-methyl oxazole, AGN-PC-00GQG8, Oxazole,5-ethoxy-4-methyl-, CTK4J2035, ZLD0407, MolPort-003-984-800, ANW-58991, ZINC22010190, AKOS006293607, AG-F-67844, RP19743, AK-51318

Molecular Formula:	C₆H₉NO₂	Molecular Weight:	127.141160 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: FWPDSAJKWKRRJD-UHFFFAOYSA-N