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• 6-Chloropurine riboside

IUPAC Name: (2R,3R,4S,5R)-2-(6-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol | CAS Registry Number: 2004-06-0
Synonyms: Chloropurine riboside, 6-Chloronebularine, 6-Chloropurinosine, 6-Chloropurine ribonucleoside, C8276_SIGMA, 852481_ALDRICH, EINECS 217-904-8, 6-Chloro-9-ribofuranosyl-9H-purine, AIDS022620, 9H-Purine, 6-chloro-9-ribofuranosyl-, AIDS-022620, NSC 4910, BRN 0040573, EINECS 226-438-4, ZINC00241780, 6-Chloropurine-9-beta-D-ribofuranoside, 6-Chloro-9-beta-D-ribofuranosyl-9H-purine, ST057090, TL806190, AI3-50219

Molecular Formula:	C₁₀H₁₁ClN₄O₄	Molecular Weight:	286.671740 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	8

InChIKey: XHRJGHCQQPETRH-KQYNXXCUSA-N

• 2-METHYL-2-OXAZOLINE

IUPAC Name: 2-methyl-4,5-dihydro-1,3-oxazole | CAS Registry Number: 26375-28-0
Synonyms: 2-Methyl-2-oxazoline, 1120-64-5, 2-Methyloxazoline, 2-methyl-4,5-dihydrooxazole, 2-Methyl-4,5-dihydro-1,3-oxazole, 2-Methyl-2-oxazolin, Oxazole, 4,5-dihydro-2-methyl-, 2-methyl-1,3-oxazoline, 2-Oxazoline, 2-methyl-, GUXJXWKCUUWCLX-UHFFFAOYSA-N, 4,5-Dihydro-2-methyl-1,3-oxazole, poly(2-methyl-2-oxazoline), methyl oxazoline, 2-methyl-oxazoline, NSC43141, EINECS 214-316-3, AC1L2EOV, ACMC-2099ch, AC1Q4UH1, 2-methyl-2-oxazoline,99%

Molecular Formula:	C₄H₇NO	Molecular Weight:	85.106 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: GUXJXWKCUUWCLX-UHFFFAOYSA-N

• 3-Chlorophenylacetic acid

IUPAC Name: 2-(3-chlorophenyl)acetic acid

Molecular Formula:	C₈H₇ClO₂	Molecular Weight:	170.592980 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: WFPMUFXQDKMVCO-UHFFFAOYSA-N

• 2-Methyl-3-Aminobenzoic Acid

IUPAC Name: 3-amino-2-methylbenzoate | CAS Registry Number: 52130-17-3
Synonyms: 2-methyl-3-aminobenzoic acid, TPC-I004, ZINC00389566, CID6950343

Molecular Formula:	C₈H₈NO₂-	Molecular Weight:	150.154620 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: BYHMLZGICSEKIY-UHFFFAOYSA-M

• 4-Amino-1,2,4-Triazole

IUPAC Name: 1,2,4-triazol-4-amine | CAS Registry Number: 584-13-4
Synonyms: 4-Amino-1,2,4-triazole, 4H-1,2,4-Triazol-4-amine, 1-Amino-1,3,4-triazole, 4-Amino-4H-1,2,4-triazole, 1-Amino-1H-1,3,4-triazole, 4-Amino-1,2,4(4H)-triazole, A81803_ALDRICH, 4H-1,2,4-Triazol-4-ylamine, 4H-1,2,4-TRIAZOLE, 4-AMINO-, NSC 3263, NSC 7242, 09550_FLUKA, EINECS 209-533-5, NSC3263, NSC7242, AIDS074825, AIDS-074825, BRN 0107563, SBB004399, ZINC04692512

Molecular Formula:	C₂H₄N₄	Molecular Weight:	84.079960 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: FMCUPJKTGNBGEC-UHFFFAOYSA-N

• 4-Amino-L-phenylalanine

IUPAC Name: (2S)-2-amino-3-(4-aminophenyl)propanoic acid | CAS Registry Number: 943-80-6
Synonyms: p-Aminophenylalanine, 4-Aminophenylalanine, L-4-Aminophenylalanine, para-Aminophenylalanine, Phenylalanine, 4-amino-, p-AMINOPHENYL ALANINE, AL305-1, TL8005958, A00164, C12033, 2410-24-4, 2922-41-0, InChI=1/C9H12N2O2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,10-11H2,(H,12,13

Molecular Formula:	C₉H₁₂N₂O₂	Molecular Weight:	180.203780 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: CMUHFUGDYMFHEI-QMMMGPOBSA-N

• 2,5-Dihydroxybenzoic acid sodium

IUPAC Name: 2,5-dihydroxybenzoic acid | CAS Registry Number: 4955-90-2
Synonyms: gentisic acid, Gentisate, Gensigen, Gensigon, Gentinatre, Hydroquinonecarboxylic acid, Gentalpin, Gentasol, Gentidol, Gentisan, Gentisod, Legential, Nagentis, Casate, Gabail, Nagent, 5-Hydroxysalicylic acid, Gentisinic acid, Casate sodium, Gensalate sodium

Molecular Formula:	C₇H₆O₄	Molecular Weight:	154.120140 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: WXTMDXOMEHJXQO-UHFFFAOYSA-N

• 2-(AZIRIDIN-1-YL)ETHANAMINE

IUPAC Name: 2-(aziridin-1-yl)ethanamine | CAS Registry Number: 4025-37-0
Synonyms: 1-Aziridineethanamine, (2-Aziridinylethyl)amine, N-(2-Aminoethyl)aziridine, 1-(2-Aminoethyl)aziridine, 1-(2-Aminoethyl)ethylenimine, Aziridine, 1-(2-aminoethyl)-, 1-Aziridineethanamine (9CI), N-(beta-Aminoethyl)ethylenimine, MolPort-006-666-095, N-(.beta.-Aminoethyl)ethylenimine, CID97697, NSC145379, NSC 145379, Aziridine, 1-(2-aminoethyl)- (8CI), AI3-50413, A00004

Molecular Formula:	C₄H₁₀N₂	Molecular Weight:	86.135600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: LSDGFGPIFBOTJI-UHFFFAOYSA-N

• 2,4-Dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

IUPAC Name: ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate | CAS Registry Number: 2199-51-1
Synonyms: Ambap1106, MLS000516371, NSC13425, CID137481, ZINC01729613, SMR000342505, 1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-, ethyl ester, InChI=1/C9H13NO2/c1-4-12-9(11)8-6(2)5-10-7(8)3/h5,10H,4H2,1-3H

Molecular Formula:	C₉H₁₃NO₂	Molecular Weight:	167.205020 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: QWSFDUPEOPMXCV-UHFFFAOYSA-N

• 2,4,-Diamino-6-hydroxypyrimidine (CAS: 56-04-4)

• 2-Cyanophenol (CAS: 611-30-1)

• 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

• 1,5-Dichloroanthraquinone

IUPAC Name: 1,5-dichloroanthracene-9,10-dione | CAS Registry Number: 82-46-2
Synonyms: 1,5-Dichloranthrachinon, 1,5-Dichloroantraquinone, Maybridge1_002222, CBMicro_015239, 9,10-Anthracenedione, 1,5-dichloro-, ANTHRAQUINONE, 1,5-DICHLORO-, 1,5-Dichloro-9,10-anthraquinone, D56209_ALDRICH, 1,5-Dichloranthrachinon [Czech], EINECS 201-424-0, NSC 13969, AIDS017899, 1,5-Dichloroanthra-9,10-quinone, AIDS-017899, NSC13969, SBB001110, ZINC03860347, WLN: L C666 BV IVJ DG KG, AI3-38301, LS-20661

Molecular Formula:	C₁₄H₆Cl₂O₂	Molecular Weight:	277.102240 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: MQIUMARJCOGCIM-UHFFFAOYSA-N

• 2-Phenylpiperazine

IUPAC Name: 2-phenylpiperazine | CAS Registry Number: 5271-26-1
Synonyms: NCIOpen2_000459, 638641_ALDRICH, NSC70392, GL-0152

Molecular Formula:	C₁₀H₁₄N₂	Molecular Weight:	162.231560 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: RIMRLBGNCLMSNH-UHFFFAOYSA-N

• 4-Bromophthalic anhydride

IUPAC Name: 4-bromo-2-benzofuran-1,3-dione | CAS Registry Number: 82-73-5
Synonyms: 3-Bromophthalic anhydride, Phthalic anhydride, 3-bromo-, 1,3-Isobenzofurandione, 4-bromo-, NSC508895

Molecular Formula:	C₈H₃BrO₃	Molecular Weight:	227.011620 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: AQBFKBMMIDHCFS-UHFFFAOYSA-N

• 2,3,3-Trimethyl-4,5-benzo-3H-indole

IUPAC Name: 1,1,2-trimethylbenzo[e]indole

Molecular Formula:	C₁₅H₁₅N	Molecular Weight:	209.286300 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: WJZSZXCWMATYFX-UHFFFAOYSA-N

• 2-Aminopyridine-6-carboxylic acid

IUPAC Name: 6-aminopyridine-2-carboxylic acid | CAS Registry Number: 23628-31-1
Synonyms: Ambad205, Picolinic acid, 6-amino-, 6-Aminopyridine-2-carboxylic acid, 6-Amino-2-pyridinecarboxylic acid, 6-Amino-pyridine-2-carboxylic acid, 2-Pyridinecarboxylic acid, 6-amino-, NSC522596, ZINC00336886, TL8001951, AE-842/25003858

Molecular Formula:	C₆H₆N₂O₂	Molecular Weight:	138.124040 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: NMCKJFCJIHCHIS-UHFFFAOYSA-N

• 2,2-Dichloro-N-[(1R,2S)-3-Fluoro-1-Hydroxy-1-(4-Methylsulfonylphenyl)propan-2-Yl]acetamide

IUPAC Name: 2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide | CAS Registry Number: 73231-34-2
Synonyms: Florfenicol, Nuflor, florphenicol, (-)-Florfenicol, Nuflor (TN), 3-fluorothiamphenicol, thiamphenicol, 3-fluoro, Prestwick0_000955, Prestwick1_000955, Prestwick2_000955, Prestwick3_000955, Florfenicol (USAN/INN), Sch-25298, Florfenicol [USAN:INN:BAN], C12H14Cl2FNO4S, Sch 25298, BSPBio_000950, MLS002154071, SPBio_003099, BPBio1_001046

Molecular Formula:	C₁₂H₁₄Cl₂FNO₄S	Molecular Weight:	358.213263 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: AYIRNRDRBQJXIF-NXEZZACHSA-N

• 2-(2-CHLOROETHOXY)ETHANOL (CAS: 528-89-7)

• 2-Nitrotoluene

IUPAC Name: 1-methyl-2-nitrobenzene | CAS Registry Number: 88-72-2
Synonyms: O-NITROTOLUENE, o-Nitrotoluol, Toluene, o-nitro-, 2-Nitrotoluol, ortho-Nitrotoluol, o-Methylnitrobenzene, 1-Methyl-2-nitrobenzene, 2-Methylnitrobenzene, Nitrotoluene, o-, Methylnitrobenzene, Benzene, 1-methyl-2-nitro-, 2-Methyl-1-nitrobenzene, o-nitrophenylmethane, Nitrotoluene, o-isomer, o-NITRO TOLUENE, o-NT, Nitrotoluene, all isomers, alpha-Methylnitrobenzene, TOLUENE,2-NITRO, WLN: WNR B1

Molecular Formula:	C₇H₇NO₂	Molecular Weight:	137.135980 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: PLAZTCDQAHEYBI-UHFFFAOYSA-N

• 2,6-Lutidine

IUPAC Name: 2,6-dimethylpyridine | CAS Registry Number: 108-48-5
Synonyms: 2,6-Dimethylpyridine, Lutidine, Pyridine, 2,6-dimethyl-, alpha,alpha'-Lutidine, 2,6-LUTIDINE, 2,6-Dimethypyridine, alpha,alpha'-Dimethylpyridine, HSDB 79, FEMA No. 3540, .alpha.,.alpha.'-Lutidine, .alpha.,.alpha.'-Dimethylpyridine, W354007_ALDRICH, 336106_ALDRICH, L3900_SIAL, NSC 2155, 04991_FLUKA, CHEBI:32548, EINECS 203-587-3, NSC2155, ZINC00967330

Molecular Formula:	C₇H₉N	Molecular Weight:	107.153060 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: OISVCGZHLKNMSJ-UHFFFAOYSA-N

• 3,6-Dihydro-2H-pyridine-1-N-Boc-4-boronic acid pinacol ester

IUPAC Name: tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate | CAS Registry Number: 286961-14-6
Synonyms: N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester, tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydropyridine-1(2H)-carboxylate, 1-N-BOC-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-3,6-DIHYDRO-2H-PYRIDINE, 1-Boc-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine, N-Boc-1,2,3,6-tetrahydropyridine-4-boronic acid pinacol ester, 3,6-DIHYDRO-2H-PYRIDINE-1-N-BOC-4-BORONIC ACID PINACOL ESTER, 1,2,3,6-Tetrahydropyridine-4-boronic acid, pinacol ester, N-BOC protected, (N-tert-Butoxycarbonyl)-1,2,3,6-tetrahydropyridine-4-boronic acid pinacol ester, tert-butyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate, 4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester, tert-butyl 1-Boc-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine, tert-Butyl 3,6-dihydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-1(2H)-carboxylate, tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine-1-carboxylate, AC1NEGYO, PubChem17433, PubChem23415, SureCN39349, ACMC-20c49v, KSC680Q6L, CTK5I0865

Molecular Formula:	C₁₆H₂₈BNO₄	Molecular Weight:	309.208820 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: VVDCRJGWILREQH-UHFFFAOYSA-N

• (3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine

IUPAC Name: [(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-1-ium-3-yl]methanol | CAS Registry Number: 105812-81-5
Synonyms: ZINC02529787, CID7016838, TL8000217, (3S,4R)-4-(4'-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine

Molecular Formula:	C₁₃H₁₉FNO+	Molecular Weight:	224.294463 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: CXRHUYYZISIIMT-AAEUAGOBSA-O

• 6-bromo-3-pyridazinamine

IUPAC Name: 6-bromopyridazin-3-amine

Molecular Formula:	C₄H₄BrN₃	Molecular Weight:	173.998660 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: FXTDHDQFLZNYKW-UHFFFAOYSA-N

• 6-Methylnicotinic acid

IUPAC Name: 6-methylpyridine-3-carboxylic acid | CAS Registry Number: 3222-47-7
Synonyms: 284750_ALDRICH, 6-Methylpyridine-3-carboxylic acid, NSC527351, SBB006666, 3-pyridinecarboxylic acid, 6-methyl-, InChI=1/C7H7NO2/c1-5-2-3-6(4-8-5)7(9)10/h2-4H,1H3,(H,9,10

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

InChIKey: RZOKQIPOABEQAM-UHFFFAOYSA-N

• 2,9-Dimethylanthra(2,1,9-Def

Synonyms: Perylene Maroon, Perylene Bordeaux, Ponsol Red YF, Caledon Red 2G, Caledon Red 2GN, Indanthren Red GG, Palanthrene Red GG, Hostaperm Red P 2GL, Paliogen Red 4120, Paliogen Maroon 3920, Variogen Maroon 3920, C.I. Pigment Red 179, Pigment Bordeaux Perylene, C.I. Vat Red 23, Paliogen Maroon L 3920, Paliogen Maroon L 4020, EINECS 226-866-1, CID79657, ZINC11612116, C.I. 71130

Molecular Formula:	C₂₆H₁₄N₂O₄	Molecular Weight:	418.400360 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: PJQYNUFEEZFYIS-UHFFFAOYSA-N

• 4-[1-(1,2,4-TRIAZOLYL)METHYL]BENZONTRILE (CAS: 15319-56-1)

• 5-Methyl-2-nitrobenzoic Acid (CAS: 3113-71-2)

• 3-Methoxyacetophenone

IUPAC Name: 1-(3-methoxyphenyl)ethanone | CAS Registry Number: 586-37-8
Synonyms: 3-Acetylanisole, m-Acetanisole, m-Methoxyacetophenone, 3'-Methoxyacetophenone, Acetophenone, 3'-methoxy-, Acetophenone, m-methoxy-, Ethanone, 1-(3-methoxyphenyl)-, M9408_ALDRICH, NCIOpen2_000067, 1-(3-METHOXYPHENYL)ETHANONE, Acetophenone, 3'-methoxy- (8CI), NSC65593, EINECS 209-573-3, NSC 65593, ZINC01692471, Ethanone, 1-(3-methoxyphenyl)- (9CI), AI3-26011, ST5213410, InChI=1/C9H10O2/c1-7(10)8-4-3-5-9(6-8)11-2/h3-6H,1-2H

Molecular Formula:	C₉H₁₀O₂	Molecular Weight:	150.174500 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: BAYUSCHCCGXLAY-UHFFFAOYSA-N

• 5-Hydroxy-2-nitropyridine

IUPAC Name: 6-nitropyridin-3-ol | CAS Registry Number: 15206-26-5
Synonyms: 6-nitropyridin-3-ol, 6-nitro-3-pyridinol, 6-Nitro-pyridin-3-ol, 6-Nitro-3-pyridinol;, 3-Pyridinol, 6-nitro-, AC1MC7G4, SureCN1392833, CTK0H1959, MolPort-003-824-492, ANW-50839, SBB065448, STK020397, AKOS006282712, AG-C-27877, RP20579, AK-23835, BR-23835, KB-45876, WT-130376, FT-0647919

Molecular Formula:	C₅H₄N₂O₃	Molecular Weight:	140.096860 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: LJFLBSBHQDJFQT-UHFFFAOYSA-N

• 2-Chloro ethane sulfonic acid sodium salt

IUPAC Name: 2-chloroethanesulfonic acid | CAS Registry Number: 15484-44-3
Synonyms: 2-Chloroethanesulphonic acid, Ethanesulfonic acid, 2-chloro-, 2-CHLOROETHANESULFONIC ACID, CHLOROETHANESULFONIC ACID, Na, EINECS 241-935-6, 18024-00-5

Molecular Formula:	C₂H₅ClO₃S	Molecular Weight:	144.577300 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: FXKMTSIKHBYZSZ-UHFFFAOYSA-N

• 2-AMINOETHANESULFONAMIDE HCL

IUPAC Name: 2-aminoethanesulfonamide hydrochloride | CAS Registry Number: 89756-60-5
Synonyms: 2-Aminoethanesulphonamide HCl, MolPort-003-983-254, EINECS 289-519-3, 2-Aminoethanesulphonamide monohydrochloride, 2-Amino-ethanesulfonamide hydrochloride, CID3021549, EN300-36065, I09-1261, 4378-70-5

Molecular Formula:	C₂H₉ClN₂O₂S	Molecular Weight:	160.623060 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: DGUVEYAZTOUCEJ-UHFFFAOYSA-N

• 1H,1H,5H-Octafluoropentyl acrylate

IUPAC Name: 2,2,3,3,4,4,5,5-octafluoropentyl prop-2-enoate | CAS Registry Number: 376-84-1
Synonyms: 474401_ALDRICH, EINECS 206-816-5, 2,2,3,3,4,4,5,5-Octafluoropentyl acrylate, LS-192524, 2-Propenoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester

Molecular Formula:	C₈H₆F₈O₂	Molecular Weight:	286.119266 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	10

InChIKey: WISUNKZXQSKYMR-UHFFFAOYSA-N

• 2-Methoxy-5-Methyl-Y-Phenyl

IUPAC Name: 3-(2-methoxy-5-methylphenyl)-3-phenylpropan-1-ol | CAS Registry Number: 124937-73-1
Synonyms: 3-(2-Methoxy-5-methylphenyl)-3-phenyl propanol, 3-(2-Methoxy-5-methylphenyl)-3-phenylpropanol, 3-(2-Methoxy-5-methylphenyl)-3-phenylpropan-1-ol, ACMC-20a6fd, SureCN615095, 3-(2-methoxy-5-methyl-phenyl)-3-phenyl-propan-1-ol, Jsp001636, Jsp001640, CTK0H4365, MolPort-003-986-337, ACT04372, ANW-59255, AKOS015889798, AC-3468, AG-A-50518, AG-D-52857, AK-40881, H698, KB-177422, TL8000650

Molecular Formula:	C₁₇H₂₀O₂	Molecular Weight:	256.339500 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: OCGTUTJXBDQGKL-UHFFFAOYSA-N

• 4-HYDROXYPHENYLACETIC ACID ETHYL ESTER (CAS: 171-38-2)

• 2,3-Dichloroanisole (CAS: 1984-59-0)

• 2-Methoxypropene

IUPAC Name: 2-methoxyprop-1-ene | CAS Registry Number: 116-11-0
Synonyms: 1-Propene, 2-methoxy-, Ether, isopropenyl methyl, Isopropenyl methyl ether, 2-Methoxy-1-propene, Propene, 2-methoxy-, Methyl isopropenyl ether, Ambap1761, 2-METHOXYPROP-1-ENE, HSDB 1124, 174645_ALDRICH, 59262_FLUKA, 72537_FLUKA, EINECS 204-125-3, BRN 1734635, ZINC02041033, LS-123482, TL8000470, 4-01-00-02075 (Beilstein Handbook Reference), InChI=1/C4H8O/c1-4(2)5-3/h1H2,2-3H, 172702-76-0

Molecular Formula:	C₄H₈O	Molecular Weight:	72.105720 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: YOWQWFMSQCOSBA-UHFFFAOYSA-N

• 6-Heptenoic acid, 7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3,5-dihydroxy-, 1,1-dimethylethyl ester, (3R,5S,6E)-

IUPAC Name: tert-butyl (E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate | CAS Registry Number: 355806-00-7
Synonyms: tert-Butyl rosuvastatin, PubChem19670, SureCN1025729, MolPort-019-879-163, (3R,5S,6E)-7-[4-(4-Fluorophenyl)-6-isopropyl-2-[(methanesulfonyl) methylamino]pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid tert-butyl ester, AKOS015841661, AKOS015896307, AC-3415, RL03343, AK-50722, N746, KB-207592, FT-0653156, ST51053344, I06-2027

Molecular Formula:	C₂₆H₃₆FN₃O₆S	Molecular Weight:	537.643943 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	10

InChIKey: IJHZGLLGELSZAF-OKLSWEBGSA-N

• 2',3',5'-Triacetylinosine

IUPAC Name: [4-acetyloxy-5-(acetyloxymethyl)-2-(6-oxo-3H-purin-9-yl)oxolan-3-yl] acetate | CAS Registry Number: 3181-38-2
Synonyms: NCIOpen2_008118, NCIOpen2_009732, Oprea1_659478, CBDivE_001623, NSC66386, NSC83296, NSC90329, NSC97105, CID248866, ZINC03881716, NCGC00096125-01, BAS 00485773, ST012368, ST5231885, EU-0070580, 28069-16-1, 63248-71-5

Molecular Formula:	C₁₆H₁₈N₄O₈	Molecular Weight:	394.336120 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	11

InChIKey: SFEQTFDQPJQUJM-UHFFFAOYSA-N

• 6-(Trifluoromethyl)nicotinic acid (CAS: 232191-22-8)

• 4,5-Dimethylthiophene-2-carboxylic acid

IUPAC Name: 4,5-dimethylthiophene-2-carboxylate | CAS Registry Number: 40808-24-0
Synonyms: ZINC02566513, CID7020658

Molecular Formula:	C₇H₇O₂S-	Molecular Weight:	155.194280 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: RZCDKLUMNAKVFB-UHFFFAOYSA-M

• 1-Methyl-3-Phenylpiperazine

IUPAC Name: 1-methyl-3-phenylpiperidine | CAS Registry Number: 19509-11-6
Synonyms: 1-Methyl-3-phenylpiperidine, EINECS 243-119-5, AC1L3CIT, AC1Q1GRX, SCHEMBL2077235, AKOS027382915, AK398883, HE037634, HE322566

Molecular Formula:	C₁₂H₁₇N	Molecular Weight:	175.275 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: AVIAGAGHRPKXCE-UHFFFAOYSA-N

• 8-amino-4-ethyl-4-hydroxy-1h-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4h,12h)-dione

Synonyms: 11-Amino-20(RS)-camptothecin, NSC609948, AC1Q6AQF, CHEMBL48739, 11-amino20(RS)-camptothecin, VHLOBGUEYUZOPW-UHFFFAOYSA-N, AC1L7706, NSC-609948, 8-Amino-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione, 8-Amino-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione

Molecular Formula:	C₂₀H₁₇N₃O₄	Molecular Weight:	363.373 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: VHLOBGUEYUZOPW-UHFFFAOYSA-N

• 3'-methoxypropiophenone

IUPAC Name: 1-(3-methoxyphenyl)propan-1-one | CAS Registry Number: 37951-49-8
Synonyms: 3'-Methoxypropiophenone, 1-(3-Methoxyphenyl)-1-propanone, 1-(3-methoxyphenyl)propan-1-one, 1-Propanone, 1-(3-methoxyphenyl)-, 3'-Methoxypropiophenon, AC1LBLGI, AC1Q5DMB, SureCN733307, CTK1C4285, MolPort-006-127-707, KST-1B3801, EINECS 253-729-3, ANW-51400, AR-1B1521, SBB065215, ZINC32172004, AKOS010015726, AG-J-03375, RP22716, AK-47465

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

InChIKey: LPDJHUUWTGXTCU-UHFFFAOYSA-N

• 4,5,6,7-Tetrahydrothieno[3,2-c]PyridineHydrochloride

IUPAC Name: 4,5,6,7-tetrahydrothieno[3,2-c]pyridin-1-ium chloride | CAS Registry Number: 28783-41-7
Synonyms: EINECS 249-220-0, 4,5,6,7-Tetrahydrothieno(3,2-c)pyridinium chloride

Molecular Formula:	C₇H₁₀ClNS	Molecular Weight:	175.679000 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: QMXCTKPNQFJZGK-UHFFFAOYSA-N

• 4-Hydroxy Carbazole

IUPAC Name: 9H-carbazol-4-ol | CAS Registry Number: 52602-39-8
Synonyms: 4-Hydroxycarbazole, 9H-Carbazol-4-ol, CCRIS 5300, 543896_ALDRICH, EINECS 258-034-9, ZINC02391423, KS-1022, LS-188614, TL8003461

Molecular Formula:	C₁₂H₉NO	Molecular Weight:	183.205960 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: UEOHATPGKDSULR-UHFFFAOYSA-N

• 3-(1-Cyanoethyl)benzoic Acid

IUPAC Name: 3-(1-cyanoethyl)benzoic acid | CAS Registry Number: 320730-08-3
Synonyms: 3-(1-Cyanoethyl)benzoic acid, 5537-71-3, Benzoic acid, 3-(1-cyanoethyl)-, m-(1-Cyanoethyl)benzoic acid, NSC113992, zlchem 504, AC1Q4QLY, SureCN687298, ACMC-1B01Z, 3-(2-Hydroxyethyl)benzoicacid, 209805_ALDRICH, AC1L404C, BEN620, CTK4G8166, ZLC0369, MolPort-002-461-961, Benzoic acid,3-(2-hydroxyethyl)-, EINECS 226-897-0, ANW-32301, AR-1E5883

Molecular Formula:	C₁₀H₉NO₂	Molecular Weight:	175.183960 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: IRYIYPWRXROPSX-UHFFFAOYSA-N

• 9,11b-Epoxidetriamcinolone

Synonyms: FT-0657981

Molecular Formula:	C₂₁H₂₆O₆	Molecular Weight:	374.427540 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: MJJGOAZIKWEYHG-BMVKDYALSA-N

• (1R,2R)-(-)-2-Amino-1-phenyl-1,3-propanediol

IUPAC Name: (1R,2R)-2-amino-1-phenylpropane-1,3-diol | CAS Registry Number: 46032-98-8
Synonyms: 248886_ALDRICH, EINECS 256-250-8, CID6452039, ST5405908, (R(R*,R*))-2-Amino-1-phenylpropane-1,3-diol, (1R,2R)-(−)-2-Amino-1-phenyl-1,3-propanediol

Molecular Formula:	C₉H₁₃NO₂	Molecular Weight:	167.205020 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: JUCGVCVPNPBJIG-RKDXNWHRSA-N

• 11H-Dibenzo[b,E]azepine-6-Carbonitrile

IUPAC Name: 11H-benzo[c][1]benzazepine-6-carbonitrile | CAS Registry Number: 80012-69-7
Synonyms: 11H-Dibenzo[b,e]azepine-6-carbonitrile, AG-H-20638, 11H-Dibenz[b,e]azepine-6-carbonitrile, SureCN5366018, AGN-PC-00Q091, CTK3E8024, 6-Cyano-11-hydro-dibenzoazepine;, ZINC16697839, 11H-benzo[c][1]benzazepine-6-carbonitrile, A839805

Molecular Formula:	C₁₅H₁₀N₂	Molecular Weight:	218.253300 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: ABWGCWCVNGSQQM-UHFFFAOYSA-N