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• 4-Amino-N-Methylphthalimide

IUPAC Name: 5-amino-2-methylisoindole-1,3-dione | CAS Registry Number: 2307-00-8
Synonyms: 4-Amino-N-methylphthalimide, Oprea1_420392, 247715_ALDRICH, ZINC00135566, CID726931, A3979/0169480, SR-01000644050-1

Molecular Formula:	C₉H₈N₂O₂	Molecular Weight:	176.172020 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: KMEBUNSLFRQSEM-UHFFFAOYSA-N

• (S)-Piperazine-2-carboxylic acid

IUPAC Name: (2S)-piperazine-2-carboxylic acid | CAS Registry Number: 147650-70-2
Synonyms: (2S)-piperazine-2-carboxylic acid, L-Piperazinecarboxylic acid, (2S)-2-Carboxypiperazine, (S)-Piperazine-2-carboxylicacid, (S)-piperazine-2-carboxylate, 64044-11-7, 2-Piperazinecarboxylicacid, (2S)-, PubChem15229, S-PCA, SureCN170308, (S)-2-Piperazinecarboxylate, AC1LT423, Jsp002759, CHEBI:55392, CTK0H4987, MolPort-003-986-446, ACT04805, ANW-54166, CPD-11623, WTI-10417

Molecular Formula:	C₅H₁₀N₂O₂	Molecular Weight:	130.145100 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: JSSXHAMIXJGYCS-BYPYZUCNSA-N

• 4-Chlorobenzyl Cyanide

IUPAC Name: 2-(4-chlorophenyl)acetonitrile | CAS Registry Number: 140-53-4
Synonyms: 4-Chlorobenzyl cyanide, p-Chlorobenzyl cyanide, (4-Chlorophenyl)acetonitrile, 4-Chlorophenylacetonitrile, 4-Chlorobenzeneacetonitrile, Benzeneacetonitrile, 4-chloro-, p-Chlorophenylacetonitrile, Acetonitrile, (p-chlorophenyl)-, (p-Chlorophenyl)acetonitrile, 2-(4-Chlorophenyl)acetonitrile, C28006_ALDRICH, 4-Chlor-benzyl-cyanid [German], CCRIS 9100, CHEBI:17346, EINECS 205-418-9, NSC 49108, NSC49108, BRN 0971171, SBB004060, ZINC00157142

Molecular Formula:	C₈H₆ClN	Molecular Weight:	151.592940 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: IVYMIRMKXZAHRV-UHFFFAOYSA-N

• 2-Piperidone

IUPAC Name: piperidin-2-one | CAS Registry Number: 675-20-7
Synonyms: 2-Piperidinone, Valerolactim, 5-Pentanolactam, alpha-Piperidone, Piperidon, Piperidinone, Piperidone, d-Valerolactam, DELTA-VALEROLACTAM, .alpha.-Piperidone, piperidin-2-one, Piperidon [German], PIPERIDONE,2-, .delta.-Valerolactam, PIPERDINONE, Piperidone-2 [French], WLN: T6NVTJ, Pentanoic acid, 5-amino-, lactam, V209_ALDRICH, NSC 2305

Molecular Formula:	C₅H₉NO	Molecular Weight:	99.131060 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: XUWHAWMETYGRKB-UHFFFAOYSA-N

• 4-Fluorophenylacetone

IUPAC Name: 1-(4-fluorophenyl)propan-2-one | CAS Registry Number: 459-03-0
Synonyms: (4-Fluorophenyl)acetone, 209457_ALDRICH, 47287_FLUKA, 2-Propanone, 1-(4-fluorophenyl)-, ZINC00156292, EINECS 207-284-7, CID521187

Molecular Formula:	C₉H₉FO	Molecular Weight:	152.165563 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: ZUEKIIWSVFBTCM-UHFFFAOYSA-N

• 4,4-Dihydroxybenzophenone

IUPAC Name: bis(4-hydroxyphenyl)methanone | CAS Registry Number: 611-99-4
Synonyms: 4,4'-Dihydroxybenzophenone, HBP (ketone), Bis(p-hydroxy)benzophenone, p,p'-Dihydroxybenzophenone, Methanone, bis(4-hydroxyphenyl)-, Bis(4-hydroxyphenyl) ketone, 4,4'-dihydoxy-benzophenone, 4,4'-Dihydroxydiphenyl ketone, bis(4-hydroxyphenyl)methanone, Benzophenone, 4,4'-dihydroxy-, Oprea1_287266, D110507_ALDRICH, NSC 2831, 37613_FLUKA, EINECS 210-288-1, NSC2831, AIDS017972, AIDS-017972, BRN 1874572, c1293

Molecular Formula:	C₁₃H₁₀O₃	Molecular Weight:	214.216700 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: RXNYJUSEXLAVNQ-UHFFFAOYSA-N

• 4-Methoxybenzonitrile

IUPAC Name: 4-methoxybenzonitrile | CAS Registry Number: 874-90-8
Synonyms: p-Anisonitrile, p-Anisylnitrile, p-Cyanoanisole, 4-Cyanoanisole, Anisonitrile, p-Methoxybenzonitrile, Benzonitrile, 4-methoxy-, p-Methoxyphenyl cyanide, ANISYL CYANIDE, p-Anisonitrile (8CI), 1-methoxy-4-cyano-benzene, NCIOpen2_000576, 132470_ALDRICH, NSC3777, CID70129, NSC 3777, NSC71539, EINECS 212-871-6, NSC 71539, ZINC00159092

Molecular Formula:	C₈H₇NO	Molecular Weight:	133.147280 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: XDJAAZYHCCRJOK-UHFFFAOYSA-N

• (S)-(+)-Propanediol

IUPAC Name: propane-1,2-diol | CAS Registry Number: 4254-15-3
Synonyms: propylene glycol, 1,2-propanediol, Sirlene, propane-1,2-diol, Trimethyl glycol, Dowfrost, 2-Hydroxypropanol, Methylethyl glycol, Solargard P, 2,3-Propanediol, 1,2-Propylene glycol, Methyl glycol, Monopropylene glycol, propanediol, Methylethylene glycol, Isopropylene glycol, Solar Winter BAN, dl-Propylene glycol, 1,2-dihydroxypropane, alpha-Propyleneglycol

Molecular Formula:	C₃H₈O₂	Molecular Weight:	76.094420 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: DNIAPMSPPWPWGF-UHFFFAOYSA-N

• 3-Amino-1,2,4-Triazole

IUPAC Name: 1H-1,2,4-triazol-5-amine | CAS Registry Number: 61-82-5
Synonyms: Amitrole, Aminotriazole, Amitrol, Amitolamitril, Triazolamine, Herbizole, Weedoclor, Azaplant, Weedazin, Weedazol, Cytrole, Elmasil, Fenavar, Ramizol, Amerol, Amizol, Azolan, Cytrol, Emisol, Azole

Molecular Formula:	C₂H₄N₄	Molecular Weight:	84.079960 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: KLSJWNVTNUYHDU-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

• 6-Bromoindazole

IUPAC Name: 6-bromo-1H-indazole | CAS Registry Number: 79762-54-2
Synonyms: 6-bromo-1H-indazole, AG-H-19731, 6- Bromoindazole, PubChem7831, zlchem 1237, SureCN5902, 6-bromanyl-1H-indazole, 6-Bromo-1H-indazole,, 6-Bromo-1H-indazole;, 1H-Indazole, 6-bromo-, ACMC-209pi5, BROMOINDAZOLE(6-), AGN-PC-01MHI9, INDAZOLE, 6-BROMO-, KSC376S4P, 1H-INDAZOLE,6-BROMO-, AC1Q251Y, CHEMBL247365, CTK2H6947, ZLE0012

Molecular Formula:	C₇H₅BrN₂	Molecular Weight:	197.032000 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: WMKDUJVLNZANRN-UHFFFAOYSA-N

• 3-Methylbenzyl Cyanide

IUPAC Name: 2-(3-methylphenyl)acetonitrile | CAS Registry Number: 2947-60-6
Synonyms: m-Xylyl cyanide, 3-Methylbenzyl cyanide, m-Methylbenzyl cyanide, m-Methylphenylacetonitrile, 3-Methylphenylacetonitrile, M31600_ALDRICH, CID76279, NSC20695, EINECS 220-962-7, NSC 20695, ZINC01571183, BBV-039521

Molecular Formula:	C₉H₉N	Molecular Weight:	131.174460 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: WOJADIOTNFDWNQ-UHFFFAOYSA-N

• 3-Pyridinol

IUPAC Name: pyridin-3-ol | CAS Registry Number: 109-00-2
Synonyms: 3-HYDROXYPYRIDINE, 3-Pyridone, 3-Pyridol, 3-Oxopyridine, m-Hydroxypyridine, pyridin-3-ol, 3-Pyridyl alcohol, beta-Hydroxypyridine, 3-hydroxypyridinium, .beta.-Hydroxypyridine, C5H5NO, H57009_ALDRICH, EINECS 203-637-4, NSC 18470, AIDS020387, AIDS-020387, NSC18470, SBB004391, ZINC00967325, AI3-19237

Molecular Formula:	C₅H₅NO	Molecular Weight:	95.099300 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: GRFNBEZIAWKNCO-UHFFFAOYSA-N

• 4-Hydroxyphenylacetic Acid Methyl Ester

IUPAC Name: methyl 2-(4-hydroxyphenyl)acetate | CAS Registry Number: 14199-15-6
Synonyms: Methyl 4-hydroxyphenylacetate, 4-Hydroxybenzeneacetic acid, 224502_ALDRICH, EINECS 238-050-2, ZINC00395674, Benzeneacetic acid, 4-hydroxy-, methyl ester, Acetic acid, (p-hydroxyphenyl)-, methyl ester, AI3-36062, ST5406479, TL8007011

Molecular Formula:	C₉H₁₀O₃	Molecular Weight:	166.173900 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: XGDZEDRBLVIUMX-UHFFFAOYSA-N

• 4-Chlorobenzoyl Chloride

IUPAC Name: 4-chlorobenzoyl chloride | CAS Registry Number: 122-01-0
Synonyms: Benzoyl chloride, 4-chloro-, Benzoyl chloride, p-chloro-, 4-CHLOROBENZOYL CHLORIDE, 111902_ALDRICH, 374288_ALDRICH, EINECS 204-515-3, ZINC02041018, AI3-14889, LS-42595, InChI=1/C7H4Cl2O/c8-6-3-1-5(2-4-6)7(9)10/h1-4

Molecular Formula:	C₇H₄Cl₂O	Molecular Weight:	175.012060 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: RKIDDEGICSMIJA-UHFFFAOYSA-N

• 1-Methylindazole-3-carboxylic acid

IUPAC Name: 1-methylindazole-3-carboxylic acid | CAS Registry Number: 50890-83-0
Synonyms: 637645_ALDRICH, ALBB-006391, 1-methyl-1H-indazole-3-carboxylic acid, 1-Methyl-indazole-3-carboxylic acid, CID689105, SBB000193, TL8003376, AQ-358/41297702

Molecular Formula:	C₉H₈N₂O₂	Molecular Weight:	176.172020 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: OVVDFORZEGKEJM-UHFFFAOYSA-N

• 5-Bromo-2,3-difluoroanisole

IUPAC Name: 5-bromo-1,2-difluoro-3-methoxybenzene | CAS Registry Number: 261762-35-0
Synonyms: ZINC02574965, JRD-1032, CID2773288, ST5408639

Molecular Formula:	C₇H₅BrF₂O	Molecular Weight:	223.014806 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: UDTVFZBQFYOZST-UHFFFAOYSA-N

• 2,6-Dichlorophenol

IUPAC Name: 2,6-dichlorophenol | CAS Registry Number: 87-65-0
Synonyms: 2,6-DICHLOROPHENOL, Phenol, 2,6-dichloro-, 2,6-Dichlorfenol, RCRA waste no. U082, RCRA waste number U082, 2,6-Dichlorfenol [Czech], WLN: QR BG FG, CCRIS 2511, D70201_ALDRICH, HSDB 4240, 35990_RIEDEL, 442325_SUPELCO, CHEBI:28457, EINECS 201-761-3, 2,6-DCP, 2,6-DCP, 2,6-Dichlorophenol, NSC 60647, 2,6-Dichlorophenol (2,6-DCP), NSC60647, BRN 1447806

Molecular Formula:	C₆H₄Cl₂O	Molecular Weight:	163.001360 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: HOLHYSJJBXSLMV-UHFFFAOYSA-N

• 5-Nitro Isophthalic Acid Mono Methyl Ester

IUPAC Name: 3-methoxycarbonyl-5-nitrobenzoic acid | CAS Registry Number: 1955-46-0
Synonyms: Mono-methyl 5-nitroisophthalate, 5-nitromonomethyl isophthalate, 237388_ALDRICH, AIDS019418, Methyl 5-nitrohydrogen.isophthalate, AIDS-019418, EINECS 217-793-6, 5-Nitroisophthalic acid, monomethyl ester, 5-Nitroisophthalic acid monomethyl ester, ST5307156, TL8001605, Monomethyl 5-nitrobenzene-1,3-dicarboxylate, Isophthalic acid, 5-nitro-, monomethyl ester, PB256786570, 1,3-Benzenedicarboxylic acid, 5-nitro-, monomethyl ester

Molecular Formula:	C₉H₇NO₆	Molecular Weight:	225.154980 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: ZCRNIIJXDRYWDU-UHFFFAOYSA-N

• 4-Chlorobenzotrichloride

IUPAC Name: 1-chloro-4-(trichloromethyl)benzene | CAS Registry Number: 5216-25-1
Synonyms: p-Chlorobenzotrichloride, 4-CHLOROBENZOTRICHLORIDE, p-Chlorophenyltrichloromethane, p-Trichloromethylchlorobenzene, CCRIS 8902, C25805_ALDRICH, Benzene, 1-chloro-4-(trichloromethyl)-, 1-Chloro-4-(trichloromethyl)benzene, alpha,alpha,alpha,4-Tetrachlorotoluene, EINECS 226-009-1, p,alpha,alpha,alpha-Tetrachlorotoluene, BRN 1866549, Toluene, alpha,alpha,alpha,p-tetrachloro-, Toluene, p,alpha,alpha,alpha-tetrachloro-, AI3-02822, alpha,alpha,alpha-Trichloro-4-chlorotoluene, NCGC00164002-01, LS-154201, Toluene, p,.alpha.,.alpha.,.alpha.-tetrachloro-, 4-05-00-00823 (Beilstein Handbook Reference)

Molecular Formula:	C₇H₄Cl₄	Molecular Weight:	229.918660 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: LVZPKYYPPLUECL-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

• 4-Methoxy-3-Nitrobenzoic acid

IUPAC Name: 4-methoxy-3-nitrobenzoic acid | CAS Registry Number: 89-41-8
Synonyms: 4-Methoxy-3-nitrobenzoic acid, 3-Nitro-p-anisic acid, 3-Nitro-4-methoxybenzoic acid, Benzoic acid, 4-methoxy-3-nitro-, p-Anisic acid, 3-nitro-, Oprea1_370577, 196061_ALDRICH, p-Anisic acid, 3-nitro- (8CI), NSC29085, EINECS 201-906-0, NSC 29085, STK299392, ST5406416, TL8006999, AK-968/40879417

Molecular Formula:	C₈H₇NO₅	Molecular Weight:	197.144880 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: ANXBDAFDZSXOPQ-UHFFFAOYSA-N

• 2-chloro-5-fluorobenzoic acid

IUPAC Name: 2-chloro-5-fluorobenzoic acid | CAS Registry Number: 2252-50-8
Synonyms: Ambap6090, 2-Chloro-5-fluorobenzoic acid, NSC190631, JRD-1729, CID302888, TL8001890

Molecular Formula:	C₇H₄ClFO₂	Molecular Weight:	174.556863 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: MIZKCMSSYVUZKD-UHFFFAOYSA-N

• (S)-2-Amino-3-naphthalen-2-yl-propionic acid

IUPAC Name: (2S)-2-amino-3-naphthalen-2-ylpropanoic acid | CAS Registry Number: 58438-03-2
Synonyms: 3-(2-Naphthyl)-L-alanine, L-3-(2-Naphthyl)-alanine, BETA-(2-NAPHTHYL)-ALANINE, CID185915, AL121-1, TL8003743, NAL

Molecular Formula:	C₁₃H₁₃NO₂	Molecular Weight:	215.247820 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: JPZXHKDZASGCLU-LBPRGKRZSA-N

• 3-Nitrophthalic Acid

IUPAC Name: 3-nitrophthalic acid | CAS Registry Number: 603-11-2
Synonyms: 3-Nitrophthalic acid, Phthalic acid, 3-nitro-, 137820_ALDRICH, 369306_ALDRICH, 1,2-Benzenedicarboxylic acid, 3-nitro-, 73760_FLUKA, NSC3120, AIDS019415, Phthalic acid, 3-nitro- (8CI), AIDS-019415, NSC 3120, EINECS 210-030-8, AI3-02074, ST5202791, TL8006095, 46381-03-7, InChI=1/C8H5NO6/c10-7(11)4-2-1-3-5(9(14)15)6(4)8(12)13/h1-3H,(H,10,11)(H,12,13

Molecular Formula:	C₈H₅NO₆	Molecular Weight:	211.128400 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: KFIRODWJCYBBHY-UHFFFAOYSA-N

• 2-Aminopyridine

IUPAC Name: pyridin-2-amine | CAS Registry Number: 504-29-0
Synonyms: 2-Pyridinamine, 2-AMINOPYRIDINE, 2-Pyridylamine, o-Aminopyridine, 2-Aminopryidine, Aminopyridine, Pyridinamine, pyridin-2-amine, alpha-Pyridinamine, alpha-Pyridylamine, Amino-2 pyridine, Pyridine, amino-, 2-Pyridinylnitrene, alpha-Aminopyridine, 2-pyridinylamine, Pyridine, 2-amino-, .beta.-Pyridylamine, .alpha.-Pyridinamine, .alpha.-Pyridylamine, Pyridinamine (9CI)

Molecular Formula:	C₅H₆N₂	Molecular Weight:	94.114540 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: ICSNLGPSRYBMBD-UHFFFAOYSA-N

• 3-Methylanisole

IUPAC Name: 1-methoxy-3-methylbenzene | CAS Registry Number: 100-84-5
Synonyms: m-Methylanisole, 3-Methoxytoluene, Anisole, m-methyl-, Methyl m-tolyl ether, m-Cresol methyl ether, Methyl m-cresyl ether, 3-Methylmethoxybenzene, M-METHOXYTOLUENE, m-Cresyl methyl ether, 1-Methoxy-3-methylbenzene, Benzene, 1-methoxy-3-methyl-, 1-Methyl-3-methoxybenzene, Methyl 3-methylphenyl ether, Ambap1726, 149160_ALDRICH, NSC 6255, EINECS 202-893-4, NSC6255, ZINC01693360, AI3-19476

Molecular Formula:	C₈H₁₀O	Molecular Weight:	122.164400 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: OSIGJGFTADMDOB-UHFFFAOYSA-N

• (S)-(-)-Indoline-2-carboxylicacid

IUPAC Name: (2S)-2,3-dihydro-1H-indole-2-carboxylic acid | CAS Registry Number: 79815-20-6
Synonyms: (S)-(-)-Indoline-2-carboxylic acid, (S)-Indoline-2-carboxylic acid, (2S)-2,3-dihydro-1H-indole-2-carboxylic acid, s-(-)-indoline-2-carboxylic acid, L-(-)-Indoline-2-carboxylic acid, (S)-(-)-Indolin-2-carboxylic acid, L-Indoline-2-carboxylic acid, s-dic, h-idc-oh, PubChem6053, CDS1_000178, AC1MBZYQ, (s)-2-carboxyindoline, Maybridge1_002466, SureCN926388, AC1Q71AJ, AC1Q71AK, (S)-Indoline-2-carboxylic, s-indoline-2-carboxylic acid, KSC171G1L

Molecular Formula:	C₉H₉NO₂	Molecular Weight:	163.173260 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: QNRXNRGSOJZINA-QMMMGPOBSA-N

• 4-Aminobenzonitrile

IUPAC Name: 4-aminobenzonitrile | CAS Registry Number: 873-74-5
Synonyms: 4-Cyanoaniline, p-Cyanoaniline, Benzonitrile, 4-amino-, Aniline, p-cyano-, Benzonitrile, p-amino-, P-AMINOBENZONITRILE, 1-Amino-4-cyanobenzene, para-aminobenzonitrile, WLN: ZR DCN, 147753_ALDRICH, C7H6N2, Benzonitrile, p-amino- (8CI), NSC 7625, 07010_FLUKA, EINECS 212-850-1, NSC7625, AIDS020236, AIDS-020236, BRN 0774507, BENZOIC ACID,4-AMINO,NITRILE

Molecular Formula:	C₇H₆N₂	Molecular Weight:	118.135940 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: YBAZINRZQSAIAY-UHFFFAOYSA-N

• 2,4,5-Trifluoro-3-chlorobenzoic acid

IUPAC Name: 3-chloro-2,4,5-trifluorobenzoate | CAS Registry Number: 101513-77-3
Synonyms: ZINC02526219, CID7016347

Molecular Formula:	C₇HClF₃O₂-	Molecular Weight:	209.529850 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: KBESHLYCSZINAJ-UHFFFAOYSA-M

• 4-Methylbenzophenone

IUPAC Name: (4-methylphenyl)-phenylmethanone | CAS Registry Number: 134-84-9
Synonyms: p-Benzoyltoluene, p-Methylbenzophenone, Phenyl p-tolyl ketone, 4-Methyl benzophenone, p-Benzophenone, methyl-, BENZOPHENONE, 4-METHYL-, Methanone, (4-methylphenyl)phenyl-, USAF DO-54, WLN: 1R DVR, M29959_ALDRICH, NSC 4898, EINECS 205-159-1, (4-Methyphenyl)(phenyl)methanone, NSC4898, (4-Methylphenyl)(phenyl)methanone, AI3-18452, NCGC00164221-01, LS-38942

Molecular Formula:	C₁₄H₁₂O	Molecular Weight:	196.244480 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: WXPWZZHELZEVPO-UHFFFAOYSA-N

• 2-Chloro-6-fluorobenzoyl chloride

IUPAC Name: 2-chloro-6-fluorobenzoyl chloride | CAS Registry Number: 79455-63-3
Synonyms: ZINC02556064, 2-Chloro-6-fluoro-benzoyl chloride, JRD-0878, EINECS 279-162-1, SPB 06439, CID2736547

Molecular Formula:	C₇H₃Cl₂FO	Molecular Weight:	193.002523 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: GFNAJZAKJGKJCS-UHFFFAOYSA-N

• (R)-Piperazine-2-carboxylic acid

IUPAC Name: (2R)-piperazine-2-carboxylic acid | CAS Registry Number: 31321-68-3
Synonyms: (2R)-piperazine-2-carboxylic acid, (R)-Piperazine-2-carboxylicacid, AC1O6NDF, SureCN172309, (R)-2-Piperazinecarboxylate, Jsp005851, CHEBI:55357, CTK1C2385, MolPort-002-345-584, 2-(R)-Piperazine carboxylic acid, 2-Piperazinecarboxylicacid, (2R)-, ACT04806, (2R)-Piperazine-2-carboxylic acid;, ANW-27080, AKOS015854364, AC-2976, AG-A-07683, AM81366, OR15639, AK-28429

Molecular Formula:	C₅H₁₀N₂O₂	Molecular Weight:	130.145100 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: JSSXHAMIXJGYCS-SCSAIBSYSA-N

• 2,2'-Dithiosalicylic Acid

IUPAC Name: 2-(2-carboxyphenyl)disulfanylbenzoic acid | CAS Registry Number: 119-80-2
Synonyms: Dithiosalicylic acid, 2,2'-Dithiodibenzoic acid, Bis(2-carboxyphenyl) disulfide, 2-Carboxyphenyl disulfide, Bis(o-carboxylphenyl) disulfide, Disulfide benzamide analog, Benzoic acid, 2,2'-dithiobis-, Bis(o-carboxyphenyl) disulfide, 2,2'-Dithiodi(benzoic acid), 2,2'-Dithiosalicylic acid, NSC213, 2,2'-Dithiobis(benzoic acid), MLS001216615, NSC 213, NSC5346, 2,2'-Dithiobis[benzoic acid], 389285_ALDRICH, NSC 5346, 43761_FLUKA, BENZOIC ACID, 2,2'-DITHIODI-

Molecular Formula:	C₁₄H₁₀O₄S₂	Molecular Weight:	306.356800 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: LBEMXJWGHIEXRA-UHFFFAOYSA-N

• 2-Chlorothioxanthone

IUPAC Name: 2-chlorothioxanthen-9-one | CAS Registry Number: 86-39-5
Synonyms: 2-Chlorothioxanthene, 2-Chlorothioxanthen-9-one, 2-Chloro-9H-thioxanthen-9-one, C72404_ALDRICH, MLS000584923, Thioxanthen-9-one, 2-chloro-, 9H-Thioxanthen-9-one, 2-chloro-, ZINC05019985, CID618848, SMR000207308, TL8005611, EU-0066618, InChI=1/C13H7ClOS/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7

Molecular Formula:	C₁₃H₇ClOS	Molecular Weight:	246.712080 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: ZCDADJXRUCOCJE-UHFFFAOYSA-N

• (S)-3-Hydroxy-1-benzylpyrrolidine

IUPAC Name: (3S)-1-benzylpyrrolidin-3-ol | CAS Registry Number: 101385-90-4
Synonyms: (S)-1-Benzyl-3-pyrrolidinol, (S)-1-Benzylpyrrolidin-3-ol, (S)-1-Benzyl-3-hydroxypyrrolidine, (3S)-1-benzylpyrrolidin-3-ol, s-bhp, (S)-(-)-1-Benzyl-3-pyrrolidinol, (s)-1-benzyl-pyrrolidin-3-ol, (S)-N-Benzyl-3-hydroxypyrrolidine, (s)-1-n-benzyl-3-hydroxypyrrolidine, (s)-n-benzyl-3-pyrrolidinol, (s)-1-benzyl-pyrrolidine-3-ol, (s)-3-hydroxy-1-benzylpyrrolidine, (3s)-(-)-n-benzyl-3-pyrrolidinol, (S)-3-Hydroxy-1-benzyl-pyrrolidine, (s)-1-n-benzyl-3-hydroxypyrrolidinol, (s)-(-)-1-benzyl-3-hydroxypyrrolidine, (s)-(-)-n-benzyl 3-hydroxypyrrolidine, ST50408489, (S)-( pound inverted question mark)-1-Benzyl-3-pyrrolidinol, PubChem13097

Molecular Formula:	C₁₁H₁₅NO	Molecular Weight:	177.242900 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: YQMXOIAIYXXXEE-NSHDSACASA-N

• 6-Amino-1,3-Benzoxazol-2(3H)-One

IUPAC Name: 3H-1,3-benzoxazol-2-one | CAS Registry Number: 22876-17-1
Synonyms: Benzoxazolone, Benzoxazolinone, 2-BENZOXAZOLINONE, 2-Benzoxazolol, 2-Hydroxybenzoxazole, 2(3H)-Benzoxazolone, benzoxazolone-2, benzoxazolin-2-one, Benzoxazole, 2-hydroxy-, 3H-benzooxazol-2-one, benzoxazolone zinc salt, 2(3H)-Benzoxazolinone, benzoxazolin-2(3H)-one, 1,3-Benzoxazol-2(3H)-one, USAF EK-5429, BENZOXAZOLINE,2-ONE, WLN: T56 BMVOJ, CCRIS 6794, C7H5NO2, MLS000515797

Molecular Formula:	C₇H₅NO₂	Molecular Weight:	135.120100 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: ASSKVPFEZFQQNQ-UHFFFAOYSA-N

• (S)-Propylene oxide

IUPAC Name: (2S)-2-methyloxirane | CAS Registry Number: 16088-62-3
Synonyms: S-Methyloxirane, S-Epoxypropane, Methyloxirane, Epoxypropane, (-)-Methyloxirane, (S)-1,2-Epoxypropane, Propylene epoxide, (-)-Propylene oxide, (S)-epoxypropane, (S)-methyloxirane, 1,2-Epoxypropane, 2,3-Epoxypropane, (S)-2-Methyloxirane, Methyl ethylene oxide, (S)-(-)-Propylene oxide, (2S)-2-methyloxirane, AD 6 (suspending agent), (S)-(-)-1,2-Epoxypropane, S-12-EPOXYPROPANE, Oxirane, methyl-, (S)-

Molecular Formula:	C₃H₆O	Molecular Weight:	58.079140 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: GOOHAUXETOMSMM-VKHMYHEASA-N

• (S)-3-Acetoxy-gamma-butyrolactone

IUPAC Name: [(3S)-5-oxooxolan-3-yl] acetate | CAS Registry Number: 191403-65-3
Synonyms: ZINC04283640, CID2734004

Molecular Formula:	C₆H₈O₄	Molecular Weight:	144.125320 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: QOAAHMCFVNHTBI-YFKPBYRVSA-N

• 3-(4'-Fluorobenzy)-2-chlorobenzimidazole

IUPAC Name: 2-chloro-1-[(4-fluorophenyl)methyl]benzimidazole | CAS Registry Number: 84946-20-3
Synonyms: 568694_ALDRICH, EINECS 284-624-0, CID3020241, 1-(4-Fluorobenzyl)-2-chlorobenzimidazole, 2-Chloro-1-(4-Fluorobenzyl)benzimidazole, 2-Chloro-1-(4-fluorobenzyl)-1H-benzimidazole, 2-Chloro-1-((4-fluorophenyl)methyl)-1H-benzimidazole

Molecular Formula:	C₁₄H₁₀ClFN₂	Molecular Weight:	260.694003 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: PGXALMVNIRPELS-UHFFFAOYSA-N

• 4-Tolunitrile

IUPAC Name: 4-methylbenzonitrile | CAS Registry Number: 104-85-8
Synonyms: p-Tolunitrile, p-Cyanotoluene, p-Toluonitrile, p-Tolylnitrile, p-Toluenenitrile, 4-Cyanotoluene, p-Toluic nitrile, p-Methylbenzonitrile, Benzonitrile, 4-methyl-, 4-METHYLBENZONITRILE, p-Tolunitril, 4-Methylcyanobenzene, p-Tolunitril [Czech], 1-Methyl-4-cyanobenzene, 4-Toluenkarbonitril [Czech], Nitril kyseliny p-toluylove, WLN: NCR D1, CCRIS 4737, 132330_ALDRICH, EINECS 203-244-8

Molecular Formula:	C₈H₇N	Molecular Weight:	117.147880 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: VCZNNAKNUVJVGX-UHFFFAOYSA-N

• 2,6-Diisopropyl Phenol

IUPAC Name: 2,6-di(propan-2-yl)phenol | CAS Registry Number: 2078-54-8
Synonyms: propofol, Diprivan, Disoprofol, Diisopropylphenol, 2,6-DIISOPROPYLPHENOL, Disoprivan, Propofolum, Dipravan, Fresofol, Ampofol, Aquafol, Recofol, Ivofol, Propofol Abbott, Propofol-Lipuro, Propofol Rovi, Propofol MCT, 2,6-Bis(1-methylethyl)phenol, Propofolum [Latin], Propofol Fresenius

Molecular Formula:	C₁₂H₁₈O	Molecular Weight:	178.270720 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: OLBCVFGFOZPWHH-UHFFFAOYSA-N

• 2-Chloromandelic acid

IUPAC Name: 2-(2-chlorophenyl)-2-hydroxyacetic acid | CAS Registry Number: 10421-85-9
Synonyms: Maybridge3_004881, (2-Chlorophenyl)glycolic acid, 530182_ALDRICH, NSC31401, EINECS 233-900-9, NSC 31401, SBB003705, IDI1_016268, AI3-07572, Benzeneacetic acid, 2-chloro-alpha-hydroxy-, SR-01000640397-1

Molecular Formula:	C₈H₇ClO₃	Molecular Weight:	186.592380 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: RWOLDZZTBNYTMS-UHFFFAOYSA-N

• (R)-1-Aminoindane

IUPAC Name: (1R)-2,3-dihydro-1H-inden-1-amine | CAS Registry Number: 10277-74-4
Synonyms: (R)-(-)-1-Aminoindan, (R)-(-)-1-Aminoindane, (1R)-2,3-dihydro-1H-inden-1-amine, (R)-(-)-1-Indanamine, (R)-2,3-dihydro-1H-inden-1-amine, (R)-1-Aminoindan, AC1MBZZT, PubChem21741, (1R)INDANYLAMINE, R-AI, SureCN42279, AC1Q4U9Q, RASAGILINE INTERMEDIATE, (R)-INDAN-1-YLAMINE, (1R)-INDAN-1-AMINE, (R)-(-)-INDANAMINE, 445347_ALDRICH, CTK0H4282, MolPort-001-767-521, ALPHACHIRON 19165A832

Molecular Formula:	C₉H₁₁N	Molecular Weight:	133.190340 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: XJEVHMGJSYVQBQ-SECBINFHSA-N

• 4-Chloro Thymol

IUPAC Name: 4-chloro-5-methyl-2-propan-2-ylphenol | CAS Registry Number: 89-68-9
Synonyms: Chlorothymol, Chlorthymol, 6-Chlorothymol, 4-Chlorothymol, Pioral, THYMOL, 6-CHLORO-, Caswell No. 216, Pioral (TN), Caniprevent [veterinary], Chlorothymol [NF XII], C10H13ClO, 4-Chloro-6-isopropyl-3-methylphenol, 261416_ALDRICH, Caniprevent [veterinary] (TN), EINECS 201-930-1, CID6982, NSC4964, EPA Pesticide Chemical Code 080403, NSC 406261, Phenol, 4-chloro-5-methyl-2-(1-methylethyl)-

Molecular Formula:	C₁₀H₁₃ClO	Molecular Weight:	184.662620 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: KFZXVMNBUMVKLN-UHFFFAOYSA-N

• (1S,2R)-2-Amino-1,2-diphenylethanol

IUPAC Name: [(1R,2S)-2-hydroxy-1,2-di(phenyl)ethyl]azanium | CAS Registry Number: 23364-44-5
Synonyms: ZINC00120672

Molecular Formula:	C₁₄H₁₆NO+	Molecular Weight:	214.282940 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	1

InChIKey: GEJJWYZZKKKSEV-KGLIPLIRSA-O

• 5-Methyl-2-Pyridinamine

IUPAC Name: 5-methylpyridin-2-amine | CAS Registry Number: 1603-41-4
Synonyms: 3-Picoline, 6-amino-, 6-Amino-3-picoline, 2-Amino-5-methylpyridine, 2-Pyridinamine, 5-methyl-, 2-AMINO-5-PICOLINE, 5-Methyl-2-pyridinamine, 5-Methyl-2-pyridylamine, 5-Methyl-2-aminopyridine, 6-Amino-3-methylpyridine, 5-methylpyridin-2-ylamine, NCIOpen2_001614, 5-METHYLPYRIDIN-2-AMINE, A75684_ALDRICH, NSC 1489, EINECS 216-503-5, NSC1489, NSC 96444, NSC96444, BRN 0107050, SBB004353

Molecular Formula:	C₆H₈N₂	Molecular Weight:	108.141120 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: CMBSSVKZOPZBKW-UHFFFAOYSA-N

• 4-Chloro-2-nitroanisole

IUPAC Name: 4-chloro-1-methoxy-2-nitrobenzene | CAS Registry Number: 89-21-4
Synonyms: p-Chloro-o-nitroanisole, Anisole, 4-chloro-2-nitro-, NSC8445, 4-CHLORO-2-NITRO ANISOLE, Benzene, 4-chloro-1-methoxy-2-nitro-, EINECS 201-887-9, ZINC01586743, AI3-01524, ST5405431, InChI=1/C7H6ClNO3/c1-12-7-3-2-5(8)4-6(7)9(10)11/h2-4H,1H

Molecular Formula:	C₇H₆ClNO₃	Molecular Weight:	187.580440 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: OSAYFGJUEOYRHY-UHFFFAOYSA-N

• 4'-Phenoxyacetophenone

IUPAC Name: 1-[4-(phenoxy)phenyl]ethanone | CAS Registry Number: 5031-78-7
Synonyms: 4-Phenoxyacetophenone, 290742_ALDRICH, Ethanone, 1-(4-phenoxyphenyl)-, AIDS037446, AIDS-037446, NSC39658, ZINC00261810, ST5307735, TL8003334, EU-0066923

Molecular Formula:	C₁₄H₁₂O₂	Molecular Weight:	212.243880 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: DJNIFZYQFLFGDT-UHFFFAOYSA-N

• 2-Chlorobenzaldehyde

IUPAC Name: 2-chlorobenzaldehyde | CAS Registry Number: 89-98-5
Synonyms: Benzaldehyde, 2-chloro-, Benzaldehyde, o-chloro-, Chlorobenzaldehyde, 2-Chlorbenzaldehyd, 2-Clorobenzaldeide, o-Chloorbenzaldehyde, O-CHLOROBENZALDEHYDE, 2-Chloorbenzaldehyde, USAF M-7, o-Chlorobenzenecarboxaldehyde, WLN: VHR BG, 2-Chlorbenzaldehyd [German], o-Chloorbenzaldehyde [Dutch], 2-Chloorbenzaldehyde [Dutch], 2-Clorobenzaldeide [Italian], CCRIS 5991, HSDB 2727, Benzaldehyde, chloro- (9CI), 124974_ALDRICH, 23470_FLUKA

Molecular Formula:	C₇H₅ClO	Molecular Weight:	140.567000 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: FPYUJUBAXZAQNL-UHFFFAOYSA-N