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• (R)-(+)-O-Acetylmandelic acid

IUPAC Name: (2R)-2-acetyloxy-2-phenylacetic acid | CAS Registry Number: 51019-43-3
Synonyms: (R)-(-)-alpha-Acetoxyphenylacetic acid, (-)-O-Acetyl-D-mandelic acid, (R)-(-)-a-Acetylmandelic acid, (R)-(-)-O-Acetylmandelic acid, (R)-alpha-Acetoxyphenylacetic acid, PubChem8063, AC1MBZQI, SureCN628737, KSC496E2L, 253030_ALDRICH, AC1Q1L88, CTK3J6225, MolPort-001-792-865, (R)-(-)-alpha-Acetylmandelic acid, (R)-2-Acetoxy-2-phenylacetic acid, ANW-43616, SBB064740, (R)-(-)-A-Acetoxyphenylacetic acid, AKOS015890145, (2R)-2-acetyloxy-2-phenylacetic acid

Molecular Formula:	C₁₀H₁₀O₄	Molecular Weight:	194.184000 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: OBCUSTCTKLTMBX-SECBINFHSA-N

• [5-(2-Pyridinyl)-2-Thienyl]methylamine Dihydrochloride

IUPAC Name: (5-pyridin-2-ylthiophen-2-yl)methanamine;dihydrochloride | CAS Registry Number: 423768-36-9
Synonyms: [5-(2-PYRIDINYL)-2-THIENYL]METHYLAMINE DIHYDROCHLORIDE, AC1MCQSL, SureCN5552749, (5-pyridin-2-ylthiophen-2-yl)methanamine Dihydrochloride, CTK8I7021, MolPort-000-142-232, SBB102636, CC02213, RP06370, KB-195691, FT-0605437, Y9073, (5-(2-pyridyl)-2-thienyl)methylamine, chloride, chloride, [5-(pyridin-2-yl)thiophen-2-yl]methanamine dihydrochloride, 1-[5-(Pyridin-2-yl)thien-2-yl]methylamine dihydrochloride

Molecular Formula:	C₁₀H₁₂Cl₂N₂S	Molecular Weight:	263.186680 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: WGUHZRVGSBVNMY-UHFFFAOYSA-N

• 2-Methoxyphenylacetone

IUPAC Name: 1-(2-methoxyphenyl)propan-2-one | CAS Registry Number: 5211-62-1
Synonyms: o-Methoxy phenyl acetone, 1-(2-Methoxyphenyl)acetone, EINECS 226-008-6, ZINC02534746, ST5407446

Molecular Formula:	C₁₀H₁₂O₂	Molecular Weight:	164.201080 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: GMBFNZCPZFVKAT-UHFFFAOYSA-N

• 1-Phenyl-1-cyclopropanecarboxylic acid

IUPAC Name: 1-phenylcyclopropane-1-carboxylic acid | CAS Registry Number: 6120-95-2
Synonyms: 160075_ALDRICH, 1-Phenylcyclopropanecarboxylic acid, Cyclopropanecarboxylic acid, 1-phenyl-, EINECS 228-090-9, NSC154619, ST5406705

Molecular Formula:	C₁₀H₁₀O₂	Molecular Weight:	162.185200 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: IWWCCNVRNHTGLV-UHFFFAOYSA-N

• 2-Methoxyhydrocinnamic acid

IUPAC Name: 3-(2-methoxyphenyl)propanoic acid | CAS Registry Number: 6342-77-4
Synonyms: o-Methoxyhydrocinnamic acid, Maybridge1_000611, 3-(2-Methoxyphenyl)propionic acid, M23500_ALDRICH, 3-(o-Methoxyphenyl)propionic acid, 65230_FLUKA, 3-(2-Methoxyphenyl)propanoic acid, ALBB-006024, CID80652, NSC46646, EINECS 228-738-0, SBB003749, beta-(o-METHOXYPHENYL)PROPIONIC ACID, SR-01000634937-1, 25173-35-7

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

InChIKey: XSZSNLOPIWWFHS-UHFFFAOYSA-N

• 1,5-Dihydroxytetralin

IUPAC Name: 1,2,3,4-tetrahydronaphthalene-1,5-diol | CAS Registry Number: 40771-26-4
Synonyms: 109150_ALDRICH, NSC96982, EINECS 255-070-7, 1,5-Dihydroxy-1,2,3,4-tetrahydronaphthalene, 1,5-Naphthalenediol, 1,2,3,4-tetrahydro-, 1,2,3,4-Tetrahydro-1,5-naphthalenediol, 1,2,3,4-Tetrahydronaphthalene-1,5-diol, ST5406262

Molecular Formula:	C₁₀H₁₂O₂	Molecular Weight:	164.201080 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: MYIDTCFDQGAVFL-UHFFFAOYSA-N

• 4-Isopropylbenzonitrile

IUPAC Name: 4-propan-2-ylbenzonitrile | CAS Registry Number: 13816-33-6
Synonyms: Cuminonitrile, Cuminic nitrile, Cuminyl nitrile, p-Cyanocumene, p-Isopropylbenzonitrile, 3-Isopropylbenzonitrile, 4-(1-Methylethyl)benzonitrile, BENZONITRILE, p-ISOPROPYL-, Benzonitrile, 4-(1-methylethyl)-, EINECS 237-492-3, BRN 1932883, ZINC02019441, LS-38733, SB 00932, 4-09-00-01846 (Beilstein Handbook Reference)

Molecular Formula:	C₁₀H₁₁N	Molecular Weight:	145.201040 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: YFDJCWXBKWRDPW-UHFFFAOYSA-N

• 2,3-Dimethylbenzeneacetic acid

IUPAC Name: 2-(2,3-dimethylphenyl)acetic acid | CAS Registry Number: 30981-98-7
Synonyms: 2,3-Dimethylphenylacetic acid, 2-(2,3-Dimethylphenyl)acetic acid, 2,3-dimethylbenzeneacetic acid, PubChem2466, ACMC-1CLDR, SureCN228994, 2,3-Dimethylphenylaceticacid, CTK3J7541, MolPort-003-984-620, ACT00436, ANW-27013, SBB063737, WT1659, AKOS011841636, AC-4192, AG-F-02786, AM62266, AS01970, LS10465, AK-53963

Molecular Formula:	C₁₀H₁₂O₂	Molecular Weight:	164.201080 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: AMPNBNGNPLXMOP-UHFFFAOYSA-N

• 5-Fluorotryptamine

IUPAC Name: 2-(5-fluoro-1H-indol-3-yl)ethanamine hydrochloride | CAS Registry Number: 576-16-9
Synonyms: Ambap7782, 5-Fluorotryptamine hydrochloride, MLS000047815, F7001_SIGMA, EINECS 220-307-5, 2-(5-fluoro-1H-indol-3-yl)ethanamine, LS-82278, SMR000033820, 3-(2-Aminoethyl)-5-fluoroindole hydrochloride, 5-Fluoro-1H-indole-3-ethanamine monohydrochloride, 5-Fluoro-1H-indole-3-ethylamine monohydrochloride, F-6500, Indole, 3-(2-aminoethyl)-5-fluoro-, hydrochloride, 1H-Indole-3-ethanamine, 5-fluoro-, monohydrochloride, 1H-Indole-3-ethanamine, 5-fluoro-, monohydrochloride (9CI), 2711-58-2

Molecular Formula:	C₁₀H₁₂ClFN₂	Molecular Weight:	214.667083 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: YZAWADGJXKCLTI-UHFFFAOYSA-N

• 3,4-Dihydro-2h-1,5-Benzodioxepine-6-Carboxylic Acid

IUPAC Name: 3,4-dihydro-2H-1,5-benzodioxepine-9-carboxylic acid | CAS Registry Number: 66410-67-1
Synonyms: SDCCGMLS-0065901.P001, EINECS 266-350-3, CC00401, CID2794985, 3,4-Dihydro-2H-benzo-1,5-dioxepin-6-carboxylic acid

Molecular Formula:	C₁₀H₁₀O₄	Molecular Weight:	194.184000 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: XUXFXVMZIJMUIO-UHFFFAOYSA-N

• 4-(4-Nitrophenyl)butyric acid

IUPAC Name: 4-(4-nitrophenyl)butanoic acid | CAS Registry Number: 5600-62-4
Synonyms: Oprea1_361179, N20506_ALDRICH, .gamma.-(p-Nitrophenyl)butyric acid, NSC78455, EINECS 227-019-9, SBB008603, FR-2315

Molecular Formula:	C₁₀H₁₁NO₄	Molecular Weight:	209.198640 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: WQMLUHZFRFCQDB-UHFFFAOYSA-N

• 2-methyl-4,5,6,7-tetrahydro-benzofuran-3-carboxylic acid

IUPAC Name: 2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate | CAS Registry Number: 65384-02-3
Synonyms: ZINC00287975, CID6943902

Molecular Formula:	C₁₀H₁₁O₃-	Molecular Weight:	179.192540 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: BBXHUEFHBLFIMD-UHFFFAOYSA-M

• 2-(2-Fluorophenyl)-pyrrolidine

IUPAC Name: 2-(2-fluorophenyl)pyrrolidine | CAS Registry Number: 72216-04-7
Synonyms: 2-(2-fluorophenyl)pyrrolidine, AG-G-84014, SureCN859148, AC1MU62U, CTK5D5728, MolPort-004-312-228, Pyrrolidine,2-(2-fluorophenyl)-, ANW-49659, STK352540, WTI-11533, AKOS000150513, AC-5475, MCULE-1699641819, RP22818, AK-29469, BR-29469, KB-14076, Q588, AB1006584, A9409

Molecular Formula:	C₁₀H₁₂FN	Molecular Weight:	165.207383 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: NOJCVVKIBLHAGW-UHFFFAOYSA-N

• 2-Chloroadenosine

IUPAC Name: 2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol | CAS Registry Number: 146-77-0
Synonyms: Cl AS, 2 ClAdo, ADENOSINE, 2-CHLORO-, NCIOpen2_008559, NSC36896, NSC76356, NSC105290, 9.beta.-D-Arabinofuranosyl-2-chloroadenine, Adenine, 9-.beta.-D-arabinofuranosyl-2-chloro-, 9H-Purin-6-amine, 9-.beta.-D-arabinofuranosyl-2-chloro-, 10147-12-3

Molecular Formula:	C₁₀H₁₂ClN₅O₄	Molecular Weight:	301.686380 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	9

InChIKey: BIXYYZIIJIXVFW-UHFFFAOYSA-N

• 6-Piperazinonicotinonitrile

IUPAC Name: 6-piperazin-1-ylpyridine-3-carbonitrile | CAS Registry Number: 149554-29-0
Synonyms: Maybridge3_007438, SPB 06765, CID2737184, IDI1_018825

Molecular Formula:	C₁₀H₁₂N₄	Molecular Weight:	188.229080 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: ZYNPMKJQFWNFMI-UHFFFAOYSA-N

• 2-(4-Bromophenyl)-2-methylpropionic acid

IUPAC Name: 2-(4-bromophenyl)-2-methylpropanoic acid | CAS Registry Number: 32454-35-6
Synonyms: UX00001160

Molecular Formula:	C₁₀H₁₁BrO₂	Molecular Weight:	243.097140 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: AKVOQXBQLXOEEF-UHFFFAOYSA-N

• 6-Amino-2-methylquinoline

IUPAC Name: 2-methylquinolin-6-amine | CAS Registry Number: 65079-19-8
Synonyms: 2-Methyl-6-quinolinamine, 6-Quinolinamine, 2-methyl-, 2-Methyl-quinolin-6-ylamine, MLS000687483, ZERO/001291, CID103148, ZINC00052868, SDCCGMLS-0065856.P001, BAS 01263049, SMR000283472, EU-0052225, A2072/0087135

Molecular Formula:	C₁₀H₁₀N₂	Molecular Weight:	158.199800 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: TYJFYUVDUUACKX-UHFFFAOYSA-N

• 4-Phenylbutyric acid

IUPAC Name: 4-phenylbutanoic acid | CAS Registry Number: 1821-12-1
Synonyms: Benzenebutanoic acid, 4-Phenylbutanoic acid, Benzenebutyric acid, 4-PHENYLBUTYRIC ACID, 1-Phenylbutyric acid, 4-phenylbutyrate, Phenylbutyric acid, Butyric acid, 4-phenyl-, gamma-Phenylbutyric acid, omega-Phenylbutanoic acid, Spectrum_001331, 2ay7, Sodium 4-phenylbutyrate, SpecPlus_000814, Spectrum2_001798, Spectrum3_000782, Spectrum4_000092, Spectrum5_001003, HDInhib_000004, .gamma.-Phenylbutyric acid

Molecular Formula:	C₁₀H₁₂O₂	Molecular Weight:	164.201080 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: OBKXEAXTFZPCHS-UHFFFAOYSA-N

• 1-(3,4-Dichlorophenyl)piperazine hydrochloride

IUPAC Name: 1-(3,4-dichlorophenyl)piperazine | CAS Registry Number: 57260-67-0
Synonyms: 1-(3,4-Dichlorophenyl)piperazine, Oprea1_322373, 51091_FLUKA, 55927_FLUKA, N-(3,4-Dichlorophenyl)piperazine, 1-(3,4-Dichlorophenyl)-piperazine, EINECS 260-652-9, SBB003275, TL8003686

Molecular Formula:	C₁₀H₁₂Cl₂N₂	Molecular Weight:	231.121680 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: PXFJLKKZSWWVRX-UHFFFAOYSA-N

• 1-Isopropyl-1H-1,2,3-benzotriazole-5-carbonyl chloride

IUPAC Name: 1-propan-2-ylbenzotriazole-5-carbonyl chloride | CAS Registry Number: 679806-67-8
Synonyms: AG-G-58662, 1-propan-2-ylbenzotriazole-5-carbonyl chloride, ZINC02513564, AC1MDRH2, CTK5C7055, MolPort-000-144-881, SBB005461, KM10494, RP05306, KB-159929, FT-0644834, Y9804, 1-propan-2-yl-5-benzotriazolecarbonyl chloride, 1-(methylethyl)benzotriazole-5-carbonyl chloride, 1-iso-Propyl-1H-1,2,3-benzotriazole-5-carbonyl, A835951, 1-isopropyl-1,2,3-benzotriazole-5-carbonyl chloride, I14-86330, 1-iso-propyl-1h-1,2,3-benzotriazole-5-carbonylchloride, 1-isopropyl-1h-1,2,3-benzotriazole-5-carbonylchloride

Molecular Formula:	C₁₀H₁₀ClN₃O	Molecular Weight:	223.658900 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: ZNJHENRZPYCHJO-UHFFFAOYSA-N

• 1,2 Phenylene Diacetic Acid

IUPAC Name: 2-[2-(carboxymethyl)phenyl]acetic acid | CAS Registry Number: 7500-53-0
Synonyms: o-Benzenediacetic acid, o-Phenylenediacetic acid, Ambap7267, 1,2-Phenylenediacetic acid, 131407_ALDRICH, 1,2-BENZENEDIACETIC ACID, EINECS 231-355-1, NSC401681, 19806-17-8

Molecular Formula:	C₁₀H₁₀O₄	Molecular Weight:	194.184000 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: MMEDJBFVJUFIDD-UHFFFAOYSA-N

• 1,5-Diamino Naphthalene

IUPAC Name: naphthalene-1,5-diamine | CAS Registry Number: 2243-62-1
Synonyms: 1,5-Diaminonaphthalene, 1,5-NAPHTHALENEDIAMINE, 1,5-Naphthylenediamine, 1,5-Napthalenediamine, naphthalene-1,5-diamine, CCRIS 422, NCI-C03021, WLN: L66J BZ GZ, D21200_ALDRICH, HSDB 4118, 33165_FLUKA, EINECS 218-817-8, NSC 401110, BRN 0907947, NSC401110, ZINC00154653, LS-1023, NCGC00091284-01, NCGC00091284-02, 4-13-00-00340 (Beilstein Handbook Reference)

Molecular Formula:	C₁₀H₁₀N₂	Molecular Weight:	158.199800 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: KQSABULTKYLFEV-UHFFFAOYSA-N

• 2-Benzyl Acrylic Acid

IUPAC Name: 2-benzylprop-2-enoic acid | CAS Registry Number: 62479-28-1
Synonyms: 2-Benzylacrylic Acid, 5669-19-2, 2-benzyl acrylic acid, 2-benzylprop-2-enoic acid, NSC192640, 2-(benzyl)acrylic acid, SureCN41907, ACMC-1B2R5, KSC497S9H, CTK3J7993, MolPort-003-980-303, 2-(phenylmethyl)-2-propenoic acid, 2-(phenylmethyl)prop-2-enoic acid, 2-Methylene-3-phenylpropionic Acid, AC1L7310, ACT00329, ANW-32569, SBB063023, AKOS006283947, AG-F-99412

Molecular Formula:	C₁₀H₁₀O₂	Molecular Weight:	162.185200 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: RYNDYESLUKWOEE-UHFFFAOYSA-N

• 3',5'-Dimethoxyacetophenone

IUPAC Name: 1-(3,5-dimethoxyphenyl)ethanone | CAS Registry Number: 39151-19-4
Synonyms: 3,5-Dimethoxyacetophenone, 1-(3,5-Dimethoxyphenyl)ethanone, MLS000084838, 161721_ALDRICH, NSC46884, EINECS 254-322-3, 1-(3,5-Dimethoxyphenyl)ethan-1-one, Ethanone, 1-(3,5-dimethoxyphenyl)-, CID95997, ZINC00155371, Acetophenone, 3',5'-dimethoxy- (6CI,7CI), LS-67386, SMR000019184, ST5308643, EU-0034836

Molecular Formula:	C₁₀H₁₂O₃	Molecular Weight:	180.200480 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: YJKHOUIVWKQRSL-UHFFFAOYSA-N

• 4-Aminoquinaldine

IUPAC Name: 2-methylquinolin-4-amine | CAS Registry Number: 6628-04-2
Synonyms: 4-Amino-2-methylquinoline, 4-Aminoquinaldine 4, 2-methylquinolin-4-ylamine, 4-Quinolinamine, 2-methyl-, A79000_ALDRICH, MLS001003983, NSC60281, EINECS 229-604-4, 4-Quinolinamine, 2-methyl- (9CI), NSC 60281, SBB003992, SMR000347722, EU-0007764, UX00000584, AE-848/31925049

Molecular Formula:	C₁₀H₁₀N₂	Molecular Weight:	158.199800 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: COCFIBRMFPWUDW-UHFFFAOYSA-N

• 2,4,6-Trimethyl Benzoic Acid

IUPAC Name: 2,4,6-trimethylbenzoic acid | CAS Registry Number: 480-63-7
Synonyms: Mesitoic acid, beta-Isodurylic acid, .beta.-Isodurylic acid, Mesitylenecarboxylic acid, MESITOIC AICD, Benzoic acid, 2,4,6-trimethyl-, 2,4,6-TRIMETHYLBENZOIC ACID, 2-Mesitylenecarboxylic acid, T74802_ALDRICH, NSC 1119, 92310_FLUKA, EINECS 207-553-9, NSC1119, BRN 1866187, NSC407983, LS-38537, ST5307937, 4-09-00-01854 (Beilstein Handbook Reference), AB-131/40171157, InChI=1/C10H12O2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3,(H,11,12

Molecular Formula:	C₁₀H₁₂O₂	Molecular Weight:	164.201080 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: FFFIRKXTFQCCKJ-UHFFFAOYSA-N

• 2-Ethoxy-M-anisaldehyde

IUPAC Name: 2-ethoxy-3-methoxybenzaldehyde | CAS Registry Number: 66799-97-1
Synonyms: 2-Ethoxy-3-methoxybenzaldehyde, E5409_ALDRICH, NCIOpen2_000589, ALBB-001277, Benzaldehyde, 2-ethoxy-3-methoxy-, NSC72388, EINECS 266-483-7, SBB016656, ZINC01698495, AI3-21326

Molecular Formula:	C₁₀H₁₂O₃	Molecular Weight:	180.200480 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: DMPUNCUVRGJYGL-UHFFFAOYSA-N

• 5-Methoxyindan

IUPAC Name: 5-methoxy-2,3-dihydro-1H-indene | CAS Registry Number: 5111-69-3
Synonyms: Indane, 5-methoxy, 272299_ALDRICH, NSC20749, CID228125, InChI=1/C10H12O/c1-11-10-6-5-8-3-2-4-9(8)7-10/h5-7H,2-4H2,1H

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

InChIKey: WPPWEFVZGFJESZ-UHFFFAOYSA-N

• 2,4,6-Trimethylbenzoyl chloride

IUPAC Name: 2,4,6-trimethylbenzoyl chloride | CAS Registry Number: 938-18-1
Synonyms: Mesitoyl chloride, Benzoyl chloride, 2,4,6-trimethyl-, 682519_ALDRICH, CID97038, NSC97606, EINECS 213-339-6, NSC 97606, ZINC01632804, InChI=1/C10H11ClO/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H

Molecular Formula:	C₁₀H₁₁ClO	Molecular Weight:	182.646740 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: UKRQMDIFLKHCRO-UHFFFAOYSA-N

• 4-Ethoxy acetophenone

IUPAC Name: 1-(4-ethoxyphenyl)ethanone | CAS Registry Number: 1676-63-7
Synonyms: 4'-Ethoxyacetophenone, p-Ethoxyacetophenone, Acetophenone, p-ethoxy-, Acetophenone, 4'-ethoxy-, Ethanone, 1-(4-ethoxyphenyl)-, p-ETHOXY ACETOPHENONE, 275719_ALDRICH, 1-(4-Ethoxyphenyl)ethan-1-one, AIDS017977, AIDS-017977, EINECS 216-825-6, NSC403850, NSC406258, ZINC00159744, NSC 403850, NSC 406258, AI3-01029, ST5213455, InChI=1/C10H12O2/c1-3-12-10-6-4-9(5-7-10)8(2)11/h4-7H,3H2,1-2H

Molecular Formula:	C₁₀H₁₂O₂	Molecular Weight:	164.201080 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: YJFNFQHMQJCPRG-UHFFFAOYSA-N

• 5-Chloro-3-[n-(methoxy-Carbonyl-Methyl)sulfamoyl]-2-Thiophene Carboxylic Acid Methyl Ester

IUPAC Name: methyl 5-chloro-3-[(2-methoxy-2-oxoethyl)sulfamoyl]thiophene-2-carboxylate | CAS Registry Number: 70374-38-8
Synonyms: AG-G-74770, 5-Chloro-3-[N-(methoxy-carbonyl-methyl)sulfamoyl]-2-thiophene carboxylic acid methyl ester, 5-CHLORO-3-(N-(METHOXY-CARBONYL-METHYL)SULFAMOYL)-2-THIOPHENE CARBOXYLIC ACID METHYL ESTER, AGN-PC-013T6I, STOCK6S-80558, CTK5D2304, MolPort-005-988-018, STK742077, ZINC16189816, AKOS002291216, MCULE-7626228501, RL04696, AK-82293, N712, ST50781684, A836863, I14-10068, methyl 2-({[5-chloro-2-(methoxycarbonyl)-3-thienyl]sulfonyl}amino)acetate, methyl 5-chloro-3-[(2-methoxy-2-oxoethyl)sulfamoyl]thiophene-2-carboxylate, Methyl 5-chloro-N-(methoxycarbonylmethyl)-3-sulfamoylthiophene-2-carboxylate

Molecular Formula:	C₉H₁₀ClNO₆S₂	Molecular Weight:	327.761800 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: SHOKLCGTXCHVRZ-UHFFFAOYSA-N

• 2,2'-Anhydro-5-Methyluridine

Synonyms: 2,2'-Anhydro-athy, AIDS231709, AIDS-231709, 2,2'-Anhydro-1-beta-arabinofuranosylthymine, 2,2'-Anhydro-11-beta-D-arabinofuranosylthymine, 6H-Furo(2',3':4,5)oxazolo(3,2-a)pyrimidin-6-one, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-7-methyl-, (2R-(2alpha,3beta,3abeta,9abeta))-, 6H-Furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-6-one, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-7-methyl-, (2R,3R,3aS,9aR)-

Molecular Formula:	C₁₀H₁₂N₂O₅	Molecular Weight:	240.212680 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: WLLOAUCNUMYOQI-JAGXHNFQSA-N

• 2,4-Dimethoxy-3-methylbenzaldehyde

IUPAC Name: 2,4-dimethoxy-3-methylbenzaldehyde | CAS Registry Number: 7149-92-0
Synonyms: Ambap1795, 296279_ALDRICH, NSC72349, ZINC01698466, InChI=1/C10H12O3/c1-7-9(12-2)5-4-8(6-11)10(7)13-3/h4-6H,1-3H

Molecular Formula:	C₁₀H₁₂O₃	Molecular Weight:	180.200480 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: UOKAZUWUHOBBMD-UHFFFAOYSA-N

• 4-Methylcinnamic acid

IUPAC Name: (E)-3-(4-methylphenyl)prop-2-enoic acid | CAS Registry Number: 1866-39-3
Synonyms: p-Methylcinnamic acid, trans-p-Methylcinnamic acid, M35800_ALDRICH, ARONIS003023, NSC66272, EINECS 217-479-9, CID731767, NSC 66272, SBB015822, IDI1_007649, M105, 4-Methylcinnamic acid, predominantly trans, 3-(4-METHYLPHENYL)-2-PROPENOIC ACID

Molecular Formula:	C₁₀H₁₀O₂	Molecular Weight:	162.185200 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: RURHILYUWQEGOS-VOTSOKGWSA-N

• 2-Amino-5-isopropylbenzotrifluoride

IUPAC Name: 4-propan-2-yl-2-(trifluoromethyl)aniline | CAS Registry Number: 87617-29-6
Synonyms: ZINC02556413, CID2775223, ST5407347

Molecular Formula:	C₁₀H₁₂F₃N	Molecular Weight:	203.204190 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: ZFHAHXSEZUPPNM-UHFFFAOYSA-N

• 3-(1-Methyl-1H-Pyrazol-3-Yl)aniline

IUPAC Name: 3-(1-methylpyrazol-3-yl)aniline | CAS Registry Number: 175202-37-6
Synonyms: 3-(1-methylpyrazol-3-yl)aniline, ZINC02575157, AC1MC37Y, SureCN1532168, CTK4D5461, MolPort-000-143-882, 3-(3-Aminophenyl)-1-methylpyrazole, SBB088787, 3-(1-methylpyrazol-3-yl)phenylamine, AKOS006230242, AG-E-25149, CC60614, 3-(1-Methyl-1H-pyrazol-3-yl)aniline, KB-69749, 3-(3-Aminophenyl)-1-methyl-1H-pyrazole, 3-(1-METHYL-1H-PYRAZOL-3-YL)-PHENYLAMINE, I14-108529

Molecular Formula:	C₁₀H₁₁N₃	Molecular Weight:	173.214440 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: ZRXOZSROZJGRRH-UHFFFAOYSA-N

• (�)-3-Bromo-1-phenyl-2-pyrrolidinone

IUPAC Name: 3-bromo-1-phenylpyrrolidin-2-one | CAS Registry Number: 77868-83-8
Synonyms: 3-bromo-1-phenylpyrrolidin-2-one, (+/-)-3-Bromo-1-phenyl-2-pyrrolidinone, AC1MRASG, SureCN1514921, 78205_ALDRICH, 78205_FLUKA, MolPort-003-939-046, AKOS005258870, ()-3-Bromo-1-phenyl-2-pyrrolidinone, AK-44938, EN300-73730, ( inverted exclamation markA)-3-Bromo-1-phenyl-2-pyrrolidinone

Molecular Formula:	C₁₀H₁₀BrNO	Molecular Weight:	240.096500 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: OXRJWDQGHVJQAU-UHFFFAOYSA-N

• 6-Amino-1,2,3,4-tetrahydronaphthalen-1-one

IUPAC Name: 6-amino-3,4-dihydro-2H-naphthalen-1-one | CAS Registry Number: 3470-53-9
Synonyms: 6-Amino-1-tetralone, 678422_ALDRICH, NSC366588, CID339537, NRB 00999, ZINC04271926, SDCCGMLS-0066187.P001, 6-Amino-3,4-dihydro-1(2H)-naphthalenone

Molecular Formula:	C₁₀H₁₁NO	Molecular Weight:	161.200440 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: BEVVUJBVEXJGKM-UHFFFAOYSA-N

• 4,4'-Dichlorobutyrophenone

IUPAC Name: 4-chloro-1-(4-chlorophenyl)butan-1-one | CAS Registry Number: 40877-09-6
Synonyms: gamma,p-DICHLOROBUTYROPHENONE, ZINC02162162, EINECS 255-123-4, CID2723781, LT00848184

Molecular Formula:	C₁₀H₁₀Cl₂O	Molecular Weight:	217.091800 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: UKCHLVFIVJBCKE-UHFFFAOYSA-N

• (R)-3-Phenylbutyric Acid

IUPAC Name: (3R)-3-phenylbutanoic acid | CAS Registry Number: 772-14-5
Synonyms: (R)-3-Phenylbutyric acid, (R)-beta-Methylhydrocinnamic acid, AC1LGWG9, SureCN237090, (3R)-3-phenylbutanoic acid, 78239_ALDRICH, (R)-|A-Methylhydrocinnamic acid, 78239_FLUKA, CTK2H5539, AG-H-08566, I04-8423

Molecular Formula:	C₁₀H₁₂O₂	Molecular Weight:	164.201080 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: ZZEWMYILWXCRHZ-MRVPVSSYSA-N

• 4-Phenyl-1-butene

IUPAC Name: but-3-enylbenzene | CAS Registry Number: 768-56-9
Synonyms: 3-Butenylbenzene, Benzene, 3-butenyl-, 4-Phenylbutene-1, 1-Butene, 4-phenyl-, 1-Phenyl-3-butene, 4-PHENYL-1-BUTENE, 4-Phenylbut-1-ene, NCIOpen2_000307, 4-Fenylbut-1-een [Dutch], P20602_ALDRICH, 4-Phenylbut-1-en [Danish], 4-Phenylbut-1-en [German], WLN: 1U3R, 4-Fenilbut-1-ene [Italian], 4-Fenilbut-1-eno [Spanish], 4-Phenylbut-1-ene [French], Benzene, 3-butenyl- (9CI), 4-Fenilbut-1-eno [Portuguese], NSC 65603, NSC65603

Molecular Formula:	C₁₀H₁₂	Molecular Weight:	132.202280 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: PBGVMIDTGGTBFS-UHFFFAOYSA-N

• (S)-2-Amino-3-[4-(trifluoromethyl)phenyl]propionic acid

IUPAC Name: (2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propanoic acid | CAS Registry Number: 114926-38-4
Synonyms: 4-(Trifluoromethyl)-L-phenylalanine, (2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propanoic acid, L-4-Trifluoromethylphenylalanine, 4-Trifluoromethyl-L-Phenylalanine, 4-Trifluromethyl-L-phenylalanine hydrochloride, 3832-75-5, (S)-2-amino-3-(4-(trifluoromethyl)phenyl)propanoic acid, 122839-50-3, SureCN43862, AC1MC53G, 93031_ALDRICH, H-PHE(4-CF3)-OH, L-4-TRIFLUOROMETHYLPHE, L-PHE(4-CF3)-OH, 93031_FLUKA, CTK3J1686, MolPort-001-777-570, ANW-45504, AKOS010397236, AKOS015854053

Molecular Formula:	C₁₀H₁₀F₃NO₂	Molecular Weight:	233.187110 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: CRFFPDBJLGAGQL-QMMMGPOBSA-N

• 3-amino-3-(3-trifluoromethyl-phenyl)-propionic Acid

IUPAC Name: 3-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid | CAS Registry Number: 143438-91-9
Synonyms: 3-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid, 3-Amino-3-[3-(trifluoromethyl)phenyl]-propanoic acid, 3-Amino-3-(3-trifluoromethyl-phenyl)-propionic acid, ACMC-1BXSC, AC1MD3NG, SureCN382119, CTK0H3316, MolPort-000-147-245, aminotrifluoromethylphenylpropanoicacid, ANW-50158, BBL022144, SBB098063, STK137468, AKOS000176182, AB11934, AG-A-56821, MCULE-9858917034, RP13389, AK-45961, BR-45961

Molecular Formula:	C₁₀H₁₀F₃NO₂	Molecular Weight:	233.187110 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: WZXBASRNQXYUIP-UHFFFAOYSA-N

• 3,4-Dihydro-2H-1,5-benzodioxepine-7-carboxylic acid

IUPAC Name: 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid | CAS Registry Number: 20825-89-2
Synonyms: 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid, 2H,3H,4H-benzo[b]1,4-dioxepin-7-carboxylic acid, SDCCGMLS-0065973.P001, AC1MCQXH, ACMC-1CRIO, SureCN3064183, Oprea1_108575, MLS000773889, AC1Q73V0, CTK1A1249, MolPort-000-142-475, BB_NC-2077, HMS1719M02, HMS2764I05, BBL025665, SBB045925, STL302606, AKOS000111883, AG-C-41292, MCULE-4275549964

Molecular Formula:	C₁₀H₁₀O₄	Molecular Weight:	194.184000 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: MQSSBVLREFSMDP-UHFFFAOYSA-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

• 4-Methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carbaldehyde

IUPAC Name: 4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbaldehyde | CAS Registry Number: 141103-93-7
Synonyms: 4-Methyl-3,4-Dihydro-2H-1,4-Benzoxazine-7-Carbaldehyde, SBB052330, 4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbaldehyde, 2H-1,4-Benzoxazine-7-carboxaldehyde,3,4-dihydro-4-methyl-, ZINC04272067, AC1MCQY2, ACMC-20n02i, AC1Q3ZZ4, CHEMBL1650267, CTK4C2472, MolPort-000-142-491, AKOS006227824, AG-D-81988, RP03055, KB-39841, FT-0619026, Y7502, 3,4-Dihydro-7-formyl-4-methyl-2H-1,4-benzoxazine, I14-35278, 4-Methyl-2,3-dihydro-2H-1,4-benzoxazine-7-carbaldehyde

Molecular Formula:	C₁₀H₁₁NO₂	Molecular Weight:	177.199840 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: WJHBKMPLXRGBGM-UHFFFAOYSA-N

• 5,6-Diaminonaphthalene-1,3-Disulphonic Acid

IUPAC Name: 5,6-diaminonaphthalene-1,3-disulfonic acid | CAS Registry Number: 73692-57-6
Synonyms: MolPort-003-987-196, EINECS 277-570-4, CID174421, 5,6-Diaminonaphthalene-1,3-disulphonic acid, TL8005102, 1,2-Diamino-5,7-naphthalenedisulfonic acid

Molecular Formula:	C₁₀H₁₀N₂O₆S₂	Molecular Weight:	318.326200 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	8

InChIKey: KHEHRJJAWUJGDW-UHFFFAOYSA-N

• [4-(1H-Imidazol-1-yl)phenyl]methanol

IUPAC Name: (4-imidazol-1-ylphenyl)methanol | CAS Registry Number: 86718-08-3
Synonyms: ZINC00158891, CID2776486, SDCCGMLS-0066009.P001, 3T-0318

Molecular Formula:	C₁₀H₁₀N₂O	Molecular Weight:	174.199200 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: SRQXVPAXMMIUFH-UHFFFAOYSA-N

• 2-Phenylbutanentrile

IUPAC Name: 2-phenylbutanenitrile | CAS Registry Number: 769-68-6
Synonyms: 2-Phenylbutanenitrile, 2-Phenylbutyronitrile, Butanenitrile, 2-phenyl, 1-Cyano-1-phenylpropane, Butanenitrile, 2-phenyl-, alpha-Phenylbutyronitrile, DL-2-Phenylbutyronitrile, Butyronitrile, 2-phenyl-, .alpha.-Phenylbutyronitrile, alpha-Ethylphenylacetonitrile, (+-)-2-Phenylbutyronitrile, 222739_ALDRICH, Benzeneacetonitrile, .alpha.-ethyl-, Benzeneacetonitrile, alpha-ethyl-, NSC2373, Butyronitrile, 2-phenyl- (8CI), NSC 2373, NSC11272, EINECS 212-213-8, NSC 11272

Molecular Formula:	C₁₀H₁₁N	Molecular Weight:	145.201040 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: IZPUPXNVRNBDSW-UHFFFAOYSA-N

• 3,4-Dihydro-2H-1,5-benzodioxepine-7-carbaldehyde

IUPAC Name: 3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde | CAS Registry Number: 67869-90-3
Synonyms: 3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde, ZINC04277272, AC1MCQXM, AC1Q6PV2, AC1Q6PW5, CTK5C6812, MolPort-000-142-478, SBB089401, AKOS000346315, AG-G-57591, CC13204, MCULE-2332444109, RP03100, BP-10671, KB-28287, FT-0614311, Y9800, EN300-50220, 2H,3H,4H-benzo[b]1,4-dioxepane-7-carbaldehyde, 3,4-Dihydro-2H-1,5-benzodioxepin-7-carboxaldehyde

Molecular Formula:	C₁₀H₁₀O₃	Molecular Weight:	178.184600 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: LCSVYSVGXQQHSI-UHFFFAOYSA-N