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• Azamethiphos

IUPAC Name: 6-chloro-3-(dimethoxyphosphorylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one | CAS Registry Number: 35575-96-3
Synonyms: Snip, Azamethiophos, Azamethphos, Actogard, Azamethiphos [BAN], Actogard (TN), Azamethiphos (BAN), Ciba-Geigy 18809, C9H10ClN2O5PS, OMS No 1825, 45331_RIEDEL, CHEBI:38578, EINECS 252-626-0, CGA 18809, CID71482, BRN 1086470, AI3-29129, NCGC00163926-01, NCGC00163926-02, LS-108475

Molecular Formula:	C₉H₁₀ClN₂O₅PS	Molecular Weight:	324.677861 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: VNKBTWQZTQIWDV-UHFFFAOYSA-N

• Bis(2,4,6-Trimethylpyridine)iodine(i) Hexafluorophosphate

IUPAC Name: bis(2,4,6-trimethylpyridin-3-yl)iodanium;hexafluorophosphate | CAS Registry Number: 113119-46-3
Synonyms: Bis(2,4,6-trimethylpyridine)iodine(I) hexafluorophosphate, C16H22F6IN2P, CX1007, AKOS030211084, X7154, Bis(2,4,6-trimethyl-3-pyridyl)iodonium hexafluorophosphate, BIS(2,4,6-TRIMETHYLPYRIDINE)IODINE(I)HEXAFLUOROPHOSPHATE

Molecular Formula:	C₁₆H₂₀F₆IN₂P	Molecular Weight:	512.210 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	9

InChIKey: ZQFVHVVVDAIMQV-UHFFFAOYSA-N

• Bis-Biphenyl-4-Yl-Amine

IUPAC Name: 4-phenyl-N-(4-phenylphenyl)aniline | CAS Registry Number: 102113-98-4
Synonyms: Bis-biphenyl-4-yl-amine, Bis(4-biphenylyl)amine, 4,4'-Iminobis(biphenyl), PubChem19855, AC1L9YRZ, Bis(4-biphenyl-yl)amine, SureCN68489, ACMC-20980a, Diphenylamine, 4,4'-diphenyl-, ACT04922, 4-phenyl-N-(4-phenylphenyl)aniline, ANW-14648, ZINC16697035, AKOS015853701, RL00105, AK-46263, BR-46263, KB-48100, AM20020098, B2429

Molecular Formula:	C₂₄H₁₉N	Molecular Weight:	321.414360 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: JAUCIDPGGHZXRP-UHFFFAOYSA-N

• Boscalid

IUPAC Name: 2-chloro-N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide | CAS Registry Number: 188425-85-6
Synonyms: Nicobifen, Pristine, Anilide, Emerald, Cantus, Endura, Boscalid [ISO], BAS 510F, 33875_RIEDEL, 33875_FLUKA, HSDB 7499, CID213013, NCGC00163735-01, NCGC00163735-02, NCGC00163735-03, LS-184271, 2-chloro-N-(4'-chlorobiphenyl-2-yl)nicotinamide, 2-Chloro-N-(4'-chlorobiphenyl-2- yl)-nicotinamide, I06-1289, 3-Pyridinecarboxamide, 2-chloro-N-(4'-chloro(1,1'-biphenyl)-2-yl)-

Molecular Formula:	C₁₈H₁₂Cl₂N₂O	Molecular Weight:	343.206680 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: WYEMLYFITZORAB-UHFFFAOYSA-N

• Copper Phthalocyanine Green

Synonyms: Ramapo, Fastolux Green, SolFast Green, Synthaline Green, Cyanine Green T, Fenalac Green G, Polymon Green G, Pigment green 7, Versal Green G, Fastogen Green B, Heliogen Green A, Heliogen Green G, Colanyl Green GG, Cyanine Green GP, Cyanine Green NB, Monarch Green WD, Polymon Green GN, Vynamon Green BE, Calcotone Green G, Chromatex Green G

Molecular Formula:	C₃₂Cl₁₆CuN₈	Molecular Weight:	1127.190000 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	8

InChIKey: ABFKYPFPQRDCGM-UHFFFAOYSA-N

• Epinastine

Synonyms: Alesion, Elestat, Flurinol, Relestat, Epinastine hydrochloride, Alesion (TN), Elestat (TN), Epinastine monohydrochloride, WAL-801CL, WAL 801 CL, C16H15N3.HCl, E5156_SIGMA, Epinastine hydrochloride (JAN), CID157313, LS-60567, D01713, 3-Amino-9,13b-dihydro-1H-dibenz(c,f)imidazo(1,5-a)azepine monohydrochloride, 9,13b-Dihydro-1H-dibenz[cf]imidazo[1,5-a]azepine hydrochloride, IH-Dibenz(c,f)imidazo(1,5-a)azepin-3-amine, 9,13b-dihydro-, monohydrochloride, 108929-04-0

Molecular Formula:	C₁₆H₁₆ClN₃	Molecular Weight:	285.771340 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: VKXSGUIOOQPGAF-UHFFFAOYSA-N

• ETHYL 2,4-DIOXO-4-PHENYLBUTANOATE

IUPAC Name: ethyl 2,4-dioxo-4-phenylbutanoate | CAS Registry Number: 6296-54-4
Synonyms: NSC17049, MolPort-000-929-209, Ethyl 4-phenyl-2,4-dioxobutyrate, ZERO/009265, CID226503, Benzenebutanoic acid, .alpha.,.gamma.-dioxo-, ethyl ester

Molecular Formula:	C₁₂H₁₂O₄	Molecular Weight:	220.221280 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: UVJQQYMWMAISMQ-UHFFFAOYSA-N

• Hexachlorophene

IUPAC Name: 3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol | CAS Registry Number: 70-30-4
Synonyms: hexachlorophene, pHisoHex, Hexachlorofen, Hexachlorophane, Hexachlorophen, Tersaseptic, Gamophene, Hexophene, Steraskin, Almederm, Cotofilm, Dermadex, Distodin, Gamophen, Hexabalm, Phisodan, Ritosept, Septisol, Septofen, Surofene

Molecular Formula:	C₁₃H₆Cl₆O₂	Molecular Weight:	406.903540 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: ACGUYXCXAPNIKK-UHFFFAOYSA-N

• N-Methyl-2-fluoro-4-nitrobenzamide

IUPAC Name: 2-fluoro-N-methyl-4-nitrobenzamide | CAS Registry Number: 915087-24-0
Synonyms: 2-FLUORO-N-METHYL-4-NITROBENZAMIDE, 4-Amino-2-fluoro-N-methyl-benzamide, PubChem22934, SureCN547498, MolPort-020-375-113, AB3779, WT2055, AKOS010267120, Benzamide,2-fluoro-N-methyl-4-nitro-, AK122707, KB-74919, A24304, 915087-24-0 2-fluoro-N-methyl-4-nitrobenzamide

Molecular Formula:	C₈H₇FN₂O₃	Molecular Weight:	198.151183 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: CWGRZEVFBBAKCD-UHFFFAOYSA-N

• p-Phenylbenzoic acid

IUPAC Name: 4-phenylbenzoic acid | CAS Registry Number: 92-92-2
Synonyms: 4-Phenylbenzoic acid, 4-Carboxybiphenyl, 4-Biphenylcarboxylic acid, Biphenyl-4-carboxylic acid, Para phenyl benzoic acid, 4-Diphenylcarboxylic acid, 4-phenyl-benzoic acid, 4-CARBOXYDIPHENYL, Diphenyl-4-carboxylic acid, 4-Carboxy-(1,1'-biphenyl), B34729_ALDRICH, CBDivE_013344, 4-Carboxy-1,1'-biphenyl), 14421_FLUKA, EINECS 202-203-1, (1,1'-Biphenyl)-4-carboxylic acid, 4-phenylbenzoic acid, sodium salt, NSC 23040, 4PND-0-0, C13H10O2

Molecular Formula:	C₁₃H₁₀O₂	Molecular Weight:	198.217300 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: NNJMFJSKMRYHSR-UHFFFAOYSA-N

• Pramipexole

IUPAC Name: (6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine | CAS Registry Number: 104632-26-0
Synonyms: pramipexole, Pramipexol, Mirapex, (-)-Pramipexole, Pramipexol [Spanish], Pramipexolum [Latin], Spectrum_001838, SpecPlus_000820, Spectrum5_001453, Pramipexole (USAN/INN), Pramipexole [USAN:INN], SUD919CL2Y, KBioSS_002343, MLS000758250, MLS001423952, DivK1c_006916, CHEBI:8356, C10H17N3S, KBio1_001860, KBio2_002340

Molecular Formula:	C₁₀H₁₇N₃S	Molecular Weight:	211.327080 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: FASDKYOPVNHBLU-ZETCQYMHSA-N

• Pyrimethamine

IUPAC Name: 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine | CAS Registry Number: 58-14-0
Synonyms: pyrimethamine, Daraprim, Chloridin, Ethylpyrimidine, Chloridine, Pirimetamin, Malocide, Diaminopyritamin, Erbaprelina, Pirimecidan, Pirimetamina, Chloridyn, Darachlor, Khloridin, Tindurin, Malocid, Primethamine, Pyremethamine, Pyrimethamin, Daraclor

Molecular Formula:	C₁₂H₁₃ClN₄	Molecular Weight:	248.711420 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: WKSAUQYGYAYLPV-UHFFFAOYSA-N

• Thieno[3,2-b]pyridin-7-ol

IUPAC Name: 4H-thieno[3,2-b]pyridin-7-one | CAS Registry Number: 107818-20-2
Synonyms: THIENO(3 2-B)PYRIDIN-7-OL, ST094914, thiopheno[3,2-b]pyridin-7-ol, 69627-02-7, AC1NNOUX, PubChem22356, ACMC-2098xl, SureCN105581, SureCN1497985, KSC173K8P, BIDD:GT0268, 498246_ALDRICH, CTK0H3587, MolPort-001-791-131, Thieno-(3,2-B)-pyridin-7-ol, 4H-thieno[3,2-b]pyridin-7-one, ACN-S001296, thieno[3,2-b]pyridin-7(4H)-one, ANW-15847, CX1280

Molecular Formula:	C₇H₅NOS	Molecular Weight:	151.185700 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: AACVULYSNJAKEQ-UHFFFAOYSA-N

• Triphenylene

IUPAC Name: triphenylene | CAS Registry Number: 217-59-4
Synonyms: TRIPHENYLENE, Isochrysene, Benzo[l]phenanthrene, 9,10-Benzophenanthrene, Benzo(l)phenanthrene, 9,10-Benzphenanthrene, nchem.100-comp13, Ambap1436, 1,2,3,4-Dibenznaphthalene, BCR270_FLUKA, CCRIS 1301, T82600_ALDRICH, 442830_SUPELCO, 45804_RIEDEL, CHEBI:33080, EINECS 205-922-9, NSC 57455, NSC57455, LS-157693, InChI=1/C18H12/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18/h1-12

Molecular Formula:	C₁₈H₁₂	Molecular Weight:	228.287880 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: SLGBZMMZGDRARJ-UHFFFAOYSA-N

• 2-Amino-5-chloro-3-methylbenzoic acid

IUPAC Name: 2-amino-5-chloro-3-methylbenzoic acid | CAS Registry Number: 20776-67-4
Synonyms: Benzoic acid, 2-amino-5-chloro-3-methyl-, AG-E-52503, AGN-PC-00DADH, SureCN219922, Oprea1_371235, 643513_ALDRICH, Jsp004260, CTK1A1800, 2-Amino-5-chloro-m-toluic Acid, MolPort-002-461-827, 5-Chloro-3-methylanthranilic Acid, AC-038, ANW-24214, CX1166, SBB063935, AKOS009259852, LS11466, RL06140, AK-25579, BR-25579

Molecular Formula:	C₈H₈ClNO₂	Molecular Weight:	185.607620 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: KOPXCQUAFDWYOE-UHFFFAOYSA-N

• 3-Methylbenzofuran-2-carboxylic acid

IUPAC Name: 3-methyl-1-benzofuran-2-carboxylic acid | CAS Registry Number: 24673-56-1
Synonyms: ChemDiv3_001344, Oprea1_623648, Oprea1_814806, 530611_ALDRICH, 3-Methyl-1-benzofuran-2-carboxylic acid, ALBB-000192, CID600591, SBB003779, 3-Methyl-benzofuran-2-carboxylic acid, 2-Benzofurancarboxylic acid, 3-methyl-, IDI1_020310, BAS 06970573

Molecular Formula:	C₁₀H₈O₃	Molecular Weight:	176.168720 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: YMZTUCZCQMQFMK-UHFFFAOYSA-N

• 2,4-Dichloropyridine

IUPAC Name: 2,4-dichloropyridine | CAS Registry Number: 26452-80-2
Synonyms: 2,4-DICHLOROPYRIDINE, TPC-PY112, 636584_ALDRICH, ZERO/006256, EINECS 247-717-7, ZINC02012914, D264, TL8002112

Molecular Formula:	C₅H₃Cl₂N	Molecular Weight:	147.990020 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: TYPVHTOETJVYIV-UHFFFAOYSA-N

• 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

IUPAC Name: 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine | CAS Registry Number: 329214-79-1
Synonyms: 576565_ALDRICH, BM077, 3-Pyridylboronic acid pinacol ester, 3-Pyridineboronic acid pinacol ester, Pyridine-3-boronic acid pinacol ester, ST5405620

Molecular Formula:	C₁₁H₁₆BNO₂	Molecular Weight:	205.061240 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: XEMDFESAXKSEGI-UHFFFAOYSA-N

• 4-Amino-2-fluorobenzoic acid

IUPAC Name: 4-amino-2-fluorobenzoic acid | CAS Registry Number: 446-31-1
Synonyms: 650625_ALDRICH, NSC190362, CID302680, TL8003118, 8T-0213

Molecular Formula:	C₇H₆FNO₂	Molecular Weight:	155.126443 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: QHERSCUZBKDVOC-UHFFFAOYSA-N

• 6-Bromonicotinic acid

IUPAC Name: 6-bromopyridine-3-carboxylic acid | CAS Registry Number: 6311-35-9
Synonyms: 6-Bromo Nicotinic Acid, TPC-PY045, 646989_ALDRICH, NSC43545, MO 01211, AI-942/13331025

Molecular Formula:	C₆H₄BrNO₂	Molecular Weight:	202.005460 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: JDJBRMNTXORYEN-UHFFFAOYSA-N

• 4-Bromophthalic acid

IUPAC Name: 4-bromophthalic acid | CAS Registry Number: 6968-28-1
Synonyms: NSC20682, EINECS 230-183-4, 1,2-Benzenedicarboxylic acid, 4-bromo-, SBB007850, FR-0454

Molecular Formula:	C₈H₅BrO₄	Molecular Weight:	245.026900 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: AZXKGUVDIORSED-UHFFFAOYSA-N

• 4-Methoxyphenylhydrazine hydrochloride (CAS: 70762-74-1)

• 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

• 3-Iodo-4-methylbenzoic acid

IUPAC Name: 3-iodo-4-methylbenzoic acid | CAS Registry Number: 82998-57-0
Synonyms: 278858_ALDRICH, ARONIS023691, ALBB-006209, CID621640, SBB003083, AN-970/40920439, InChI=1/C8H7IO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11

Molecular Formula:	C₈H₇IO₂	Molecular Weight:	262.044450 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: LDDHMKANNXWUAK-UHFFFAOYSA-N

• (2-amino-pyridin-3-yl)-methanol

IUPAC Name: (2-aminopyridin-3-yl)methanol | CAS Registry Number: 23612-57-9
Synonyms: 2-Aminopyridine-3-methanol, 2-amino-3-hydroxymethyl pyridine, AA-0706, TL8006937

Molecular Formula:	C₆H₈N₂O	Molecular Weight:	124.140520 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: FEIACFYXEWBKHU-UHFFFAOYSA-N

• 6-Bromo Nicotinaldehyde

IUPAC Name: 6-bromopyridine-3-carbaldehyde | CAS Registry Number: 149806-06-4
Synonyms: 6-Bromonicotinaldehyde, Ambp060000, 6-Bromo-3-pyridinecarboxaldehyde, 596280_ALDRICH, TL8001084

Molecular Formula:	C₆H₄BrNO	Molecular Weight:	186.006060 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: PVUKGNBRJFTFNJ-UHFFFAOYSA-N

• 2,7-dibromo-phenanthrene-9,10-dione

IUPAC Name: 2,7-dibromophenanthrene-9,10-dione | CAS Registry Number: 84405-44-7
Synonyms: NSC102364, CID265843

Molecular Formula:	C₁₄H₆Br₂O₂	Molecular Weight:	366.004240 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: LTZIIBSPYWTOQV-UHFFFAOYSA-N

• 1,3,5-Triphenylbenzene

IUPAC Name: 1,3,5-tri(phenyl)benzene | CAS Registry Number: 612-71-5
Synonyms: Triphenylbenzene, s-Triphenylbenzene, m-Terphenyl, 5'-phenyl-, 5'-Phenyl-m-terphenyl, Benzene, 1,3,5-triphenyl-, WLN: RR CR ER, 1,1'-Biphenyl, 3,5-diphenyl-, T82007_ALDRICH, 442238_SUPELCO, EINECS 210-318-3, 1,1':3',1''-Terphenyl, 5'-phenyl-, NSC 17358, NSC17358, BRN 1912744, RJC 03804, AI3-02595, LS-148794, 5'-PHENYL-1,1':3',1"-TERPHENYL, 1,1':3',1''-Terphenyl, 5'-phenyl- (9CI), 4-05-00-02732 (Beilstein Handbook Reference)

Molecular Formula:	C₂₄H₁₈	Molecular Weight:	306.399720 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: SXWIAEOZZQADEY-UHFFFAOYSA-N

• 2-Bromo-9-fluorenone

IUPAC Name: 2-bromofluoren-9-one | CAS Registry Number: 3096-56-8
Synonyms: 300128_ALDRICH, ZINC00133342, CID725831, ST5307776, TL8002372

Molecular Formula:	C₁₃H₇BrO	Molecular Weight:	259.098080 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: MTCARZDHUIEYMB-UHFFFAOYSA-N

• 6-Bromo-3,4-dihydro-1,8-naphthyridin-2(1H)-one

IUPAC Name: 6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one | CAS Registry Number: 129686-16-4
Synonyms: 6-Bromo-3,4-dihydro-1H-[1,8]naphthyridin-2-one, 6-biomo-3,4-dihydro-1H-[1,8]naphthyridin-2-one, 6-bromo-3,4-dihydro-1,8-naphthyridin-2(1H)-one, 1,8-Naphthyridin-2(1H)-one, 6-bromo-3,4-dihydro-, PubChem20524, ACMC-209bh5, SureCN725492, 6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one, CTK4B6369, MolPort-003-845-345, ACT06785, ANW-19143, CX1037, ZINC22053132, AKOS015834745, AB22237, AG-D-60305, LS40044, RP27693, RP27694

Molecular Formula:	C₈H₇BrN₂O	Molecular Weight:	227.057980 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: VJEOGGNIBLORIJ-UHFFFAOYSA-N

• 6-Bromoquinoline

IUPAC Name: 6-bromoquinoline | CAS Registry Number: 5332-25-2
Synonyms: Quinoline, 6-bromo-, NSC3996, ZERO/000597, CID79243, NSC 3996, EINECS 226-238-7, ZINC00078186, TL8000034, EU-0018623, InChI=1/C9H6BrN/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6

Molecular Formula:	C₉H₆BrN	Molecular Weight:	208.054640 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: IFIHYLCUKYCKRH-UHFFFAOYSA-N

• 2,5-Dibromopyridine

IUPAC Name: 2,5-dibromopyridine | CAS Registry Number: 624-28-2
Synonyms: Ambap233, 2,5-Dibromo Pyridine, Pyridine, 2,5-dibromo-, D43107_ALDRICH, TPC-PY043, 34325_FLUKA, NSC76597, EINECS 210-839-6, ZINC00343301, D174, TL806124, AC-907/30002037

Molecular Formula:	C₅H₃Br₂N	Molecular Weight:	236.892020 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: ZHXUWDPHUQHFOV-UHFFFAOYSA-N

• 9-Fluorenone

IUPAC Name: fluoren-9-one | CAS Registry Number: 486-25-9
Synonyms: Fluoren-9-one, 9H-Fluoren-9-one, FLUORENONE, 9-Oxofluorene, Diphenylene ketone, 9FLUORENONE, CCRIS 593, F1506_ALDRICH, HSDB 5490, WLN: L B656 HVJ, NSC 5181, 46900_FLUKA, CHEBI:17922, EINECS 207-630-7, NSC5181, c0390, ZINC00968253, AI3-00858, LS-69306, TL8003268

Molecular Formula:	C₁₃H₈O	Molecular Weight:	180.202020 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: YLQWCDOCJODRMT-UHFFFAOYSA-N

• 2-Aminonicotinic Acid

IUPAC Name: 2-aminopyridine-3-carboxylic acid | CAS Registry Number: 5345-47-1
Synonyms: 2-Aminonicotinic acid, Nicotinic acid, 2-amino-, A68300_ALDRICH, 2-Amino-3-pyridinecarboxylic acid, 3-Pyridinecarboxylic acid, 2-amino-, 08810_FLUKA, NSC3049, 2-Aminopyridine-3-carboxylic acid, AIDS020454, CBC 500841, Nicotinic acid, 2-amino- (8CI), AIDS-020454, NSC 3049, EINECS 226-296-3, SBB004188, ZINC00331646, A181, AC-907/25014115, InChI=1/C6H6N2O2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H2,7,8)(H,9,10

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

InChIKey: KPIVDNYJNOPGBE-UHFFFAOYSA-N

• 3-Amino-4-Methylbenzoic acid

IUPAC Name: 3-amino-4-methylbenzoic acid | CAS Registry Number: 2458-12-0
Synonyms: 3-Amino-p-toluic acid, 3-Amino-4-methylbenzoic acid, NSC597, A62809_ALDRICH, CID75568, EINECS 219-543-1, TL8002017, PB256785502, InChI=1/C8H9NO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,9H2,1H3,(H,10,11

Molecular Formula:	C₈H₉NO₂	Molecular Weight:	151.162560 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: XKFIFYROMAAUDL-UHFFFAOYSA-N

• 4-Amino-3-Methylbenzoic acid

IUPAC Name: 4-amino-3-methylbenzoic acid | CAS Registry Number: 2486-70-6
Synonyms: 4-Amino-3-methylbenzoic acid, 4-Amino-m-toluic acid, Benzoic acid, 4-amino-3-methyl-, A63007_ALDRICH, 3-methyl-4-aminobenzoic acid, TPC-B003, TPC-I002, Benzoic acid, 3-methyl-4-amino, AIDS020031, AIDS-020031, EINECS 219-629-9, NSC227945, TL8002031, 10X-0868

Molecular Formula:	C₈H₉NO₂	Molecular Weight:	151.162560 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: NHFKECPTBZZFBC-UHFFFAOYSA-N

• 4-Bromo-3-Methylbenzoic acid

IUPAC Name: 4-bromo-3-methylbenzoic acid | CAS Registry Number: 7697-28-1
Synonyms: 4-Bromo-3-methylbenzoic acid, 532819_ALDRICH, EINECS 231-713-7, CID82131, ST5408563, TL8005288

Molecular Formula:	C₈H₇BrO₂	Molecular Weight:	215.043980 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: KWVXDZLVCISXIB-UHFFFAOYSA-N

• 2-Fluoro-4-Nitrobenzoic acid

IUPAC Name: 2-fluoro-4-nitrobenzoic acid | CAS Registry Number: 403-24-7
Synonyms: NSC190361, CID302679, ST5408285

Molecular Formula:	C₇H₄FNO₄	Molecular Weight:	185.109363 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: MMWFMFZFCKADEL-UHFFFAOYSA-N

• 2,6-Dichloro-3-Nitropyridine

IUPAC Name: 2,6-dichloro-3-nitropyridine | CAS Registry Number: 16013-85-7
Synonyms: 2,6-Dichloro-3-nitropyridine, 193585_ALDRICH, BB_SC-2981, Pyridine, 2,6-dichloro-3-nitro-, EINECS 240-151-1, SBB003614, ZINC00967353, D267, TL806195, AC-907/30002032, InChI=1/C5H2Cl2N2O2/c6-4-2-1-3(9(10)11)5(7)8-4/h1-2

Molecular Formula:	C₅H₂Cl₂N₂O₂	Molecular Weight:	192.987580 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: SHCWQWRTKPNTEM-UHFFFAOYSA-N

• 2-Aminobiphenyl

IUPAC Name: 2-phenylaniline | CAS Registry Number: 90-41-5
Synonyms: o-Aminobiphenyl, o-Biphenylamine, 2-Aminodiphenyl, 2-Phenylaniline, 2-BIPHENYLAMINE, o-Aminodiphenyl, o-Phenylaniline, Biphenyl-2-ylamine, biphenyl-2-amine, 2-Biphenylylamine, ortho-aminodiphenyl, 2-Aminobifenyl [Czech], [1,1'-Biphenyl]-2-amine, o-AMINOBIPHENYL HCl, (2-phenyl-phenyl)-amine, WLN: ZR BR, CCRIS 753, (1,1'-Biphenyl)-2-amine, HSDB 1324, NSC 7661

Molecular Formula:	C₁₂H₁₁N	Molecular Weight:	169.222440 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: TWBPWBPGNQWFSJ-UHFFFAOYSA-N

• 2-Methyl-3-Nitrobenzoic Acid

IUPAC Name: 2-methyl-3-nitrobenzoic acid | CAS Registry Number: 1975-50-4
Synonyms: 3-Nitro-o-toluic acid, 2-METHYL-3-NITROBENZOIC ACID, Benzoic acid, 2-methyl-3-nitro-, Oprea1_641068, 137847_ALDRICH, 3-Nitro-2-methyl benzoic acid, TPC-B005, TPC-I003, EINECS 217-826-4, CID16096, LS-976, NCGC00091604-01, ST5406632, M-4208, InChI=1/C8H7NO4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3,(H,10,11

Molecular Formula:	C₈H₇NO₄	Molecular Weight:	181.145480 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: YPQAFWHSMWWPLX-UHFFFAOYSA-N

• 2-Pyrazine Carboxylic Acid

IUPAC Name: pyrazine-2-carboxylic acid | CAS Registry Number: 98-97-5
Synonyms: pyrazinoic acid, pyrazinoate, Pyrazinic acid, pyrazinecarboxylic acid, 2-Pyrazinecarboxylic acid, 2-Pyrazinoic acid, 2-Pyrazinecarboxylic, Piazinecarboxylic acid, pyrazinemonocarboxylic acid, 2-Pyrazine carboxylic acid, Pyrazine-2-carboxylic acid, PYRAZINOIC-ACID, Paradiazinecarboxylic acid, P56100_ALDRICH, MLS000069596, NSC13146, 82611_FLUKA, AIDS010179, AIDS-010179, NSC27192

Molecular Formula:	C₅H₄N₂O₂	Molecular Weight:	124.097460 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: NIPZZXUFJPQHNH-UHFFFAOYSA-N

• 3-Bromopyridine

IUPAC Name: 3-bromopyridine | CAS Registry Number: 626-55-1
Synonyms: 3-BROMOPYRIDINE, Pyridine, 3-bromo-, B80208_ALDRICH, 18280_FLUKA, NSC3974, AIDS020379, AIDS-020379, NSC 3974, EINECS 210-952-0, SBB003998, ZINC00158591, B2746G25, AI3-17853, TL8004225, InChI=1/C5H4BrN/c6-5-2-1-3-7-4-5/h1-4

Molecular Formula:	C₅H₄BrN	Molecular Weight:	157.995960 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: NYPYPOZNGOXYSU-UHFFFAOYSA-N

• 4:Chloro Phenyl Hydrazine Hydrochloride

IUPAC Name: (4-chlorophenyl)hydrazine hydrochloride | CAS Registry Number: 1073-70-7
Synonyms: C65807_ALDRICH, 25980_FLUKA, p-Chlorophenylhydrazine hydrochloride, 4-Chlorophenylhydrazine hydrochloride, NSC59703, EINECS 214-030-9, BTB 07482, 4-Chlorophenylhydrazine monohydrochloride, p-Chlorophenylhydrazine monohydrochloride, C-5370, Hydrazine, (p-chlorophenyl)-, monohydrochloride, Hydrazine, (4-chlorophenyl)-, monohydrochloride, 1073-69-4

Molecular Formula:	C₆H₈Cl₂N₂	Molecular Weight:	179.047120 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	2

InChIKey: YQVZREHUWCCHHX-UHFFFAOYSA-N

• 6-Quinolinoloxine

IUPAC Name: quinolin-6-ol | CAS Registry Number: 580-16-5
Synonyms: 6-Hydroxyquinoline, Quinolin-6-ol, 6-QUINOLINOL, 6-Chinolinol, 1H-1,6-Epoxyquinoline, CCRIS 4331, 6-Quinolinol (8CI,9CI), NSC 26343, 304484_ALDRICH, 55067_FLUKA, CHEBI:48994, EINECS 209-454-6, NSC26343, BRN 0113196, SBB004117, ZINC00331725, LS-142474, 5-21-03-00244 (Beilstein Handbook Reference), AC-907/25014237

Molecular Formula:	C₉H₇NO	Molecular Weight:	145.157980 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: OVYWMEWYEJLIER-UHFFFAOYSA-N

• 9-Bromophenanthrene

IUPAC Name: 9-bromophenanthrene | CAS Registry Number: 573-17-1
Synonyms: 9-Phenanthryl bromide, 9-Phenathryl bromide, 9-Bromo-phenanthrene, PHENANTHRENE, 9-BROMO-, Ambap7208, B75409_ALDRICH, EINECS 209-351-6, AIDS017536, NSC 400708, AIDS-017536, BRN 1869927, NSC400708, AI3-03652, LS-102608, TL8003694, 4-05-00-02303 (Beilstein Handbook Reference), 1564-64-3

Molecular Formula:	C₁₄H₉Br	Molecular Weight:	257.125260 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: RSQXKVWKJVUZDG-UHFFFAOYSA-N

• 2,4-Dichloro-1,3,5-triazine

IUPAC Name: 2,4-dichloro-1,3,5-triazine | CAS Registry Number: 2831-66-5
Synonyms: 2,4-DICHLORO-S-TRIAZINE

Molecular Formula:	C₃HCl₂N₃	Molecular Weight:	149.966140 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: OMRXVBREYFZQHU-UHFFFAOYSA-N

• 4-Aminobiphenyl

IUPAC Name: 4-phenylaniline | CAS Registry Number: 92-67-1
Synonyms: 4-Aminodiphenyl, Xenylamine, 4-BIPHENYLAMINE, p-Aminodiphenyl, p-Biphenylamine, p-Phenylaniline, p-Xenylamine, Biphenylamine, 4-Phenylaniline, p-Aminobiphenyl, biphenyl-4-amine, 4-Biphenylylamine, Paraaminodiphenyl, Aminobiphenyl, Xenylamin, Biphenyl-4-ylamine, Aniline, p-phenyl-, 4-Aminodifenil, Xenylamin [Czech], [1,1'-Biphenyl]-4-amine

Molecular Formula:	C₁₂H₁₁N	Molecular Weight:	169.222440 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: DMVOXQPQNTYEKQ-UHFFFAOYSA-N

• 1-Iodonaphthalene

IUPAC Name: 1-iodonaphthalene | CAS Registry Number: 90-14-2
Synonyms: 1-Naphthyl iodide, Naphthalene, 1-iodo-, 1-IODONAPHTHALENE, alpha-Iodonaphthalene, .alpha.-Iodonaphthalene, Ambap1513, 238139_ALDRICH, 57910_FLUKA, NSC9275, NSC 9275, EINECS 201-968-9, InChI=1/C10H7I/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7

Molecular Formula:	C₁₀H₇I	Molecular Weight:	254.067050 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: NHPPIJMARIVBGU-UHFFFAOYSA-N

• 3-Methyl-2-Nitrobenzoic Acid

IUPAC Name: 3-methyl-2-nitrobenzoic acid | CAS Registry Number: 5437-38-7
Synonyms: 2-Nitro-m-toluic acid, 3-METHYL-2-NITROBENZOIC ACID, Benzoic acid, 3-methyl-2-nitro-, M60406_ALDRICH, MLS002152883, 68018_FLUKA, EINECS 226-610-9, NSC 16048, NSC16048, LS-1345, NCGC00091591-01, SMR001224496, ST5406142, TL8003564, M-4210, T5654945, InChI=1/C8H7NO4/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-4H,1H3,(H,10,11

Molecular Formula:	C₈H₇NO₄	Molecular Weight:	181.145480 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: DGDAVTPQCQXLGU-UHFFFAOYSA-N