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• 2-Methoxynaphthalene
IUPAC Name: 2-methoxynaphthalene | CAS Registry Number: 93-04-9
Synonyms: Yara yara, Yura yara, Nerolin, Yara-Yara, Nerolin (old), 2-METHOXYNAPHTHALENE, Naphthalene, 2-methoxy-, Methyl 2-naphthyl ether, Nerolin Yara Yara, 2-Naphthol methyl ether, 2-Naphthyl methyl ether, beta-Methoxynaphthalene, .beta.-Methoxynaphthalene, ARABINO GALACTAN, Ambap5819, beta-Naphthol mether ether, beta-Naphthol methyl ether, beta-Naphthyl methyl ether, Methyl beta-naphthyl ether, .beta.-Naphthol methyl ether

Molecular Formula: C11H10OMolecular Weight: 158.196500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: LUZDYPLAQQGJEA-UHFFFAOYSA-N

• 2-Pyridinol
IUPAC Name: 1H-pyridin-2-one | CAS Registry Number: 142-08-5
Synonyms: 2-Pyridone, 2-HYDROXYPYRIDINE, 2(1H)-Pyridinone, 2-Oxopyridine, 2-Pyridinone, alpha-Pyridone, Pyridin-2-ol, 2(1H)-Pyridone, .alpha.-Pyridone, Pyridinol, 2(lH)-Pyridinone, Pyridone-2 [French], pyridin-2(1H)-one, H56800_ALDRICH, 56380_FLUKA, CHEBI:16540, EINECS 205-520-3, NSC172522, AIDS081857, AIDS167209

Molecular Formula: C5H5NOMolecular Weight: 95.099300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: UBQKCCHYAOITMY-UHFFFAOYSA-N

• 2-Sec-Butylphenyl-N-Methylcarbamate
IUPAC Name: (2-butan-2-ylphenyl) N-methylcarbamate | CAS Registry Number: 3766-81-2
Synonyms: Fenobucarb, Baycarb, Fenobcarb, Barizon, Carvil, Hopcin, Bassa, Osbac, BPMC, Geocarb 50EC, Fenobucarb [BSI:ISO], Bayer 41367C, Bayer 41637, 2-Butylphenyl methylcarbamate, 2-sec-Butylphenyl methylcarbamate, 2-sec-Butylphenyl N-methylcarbamate, PS1046_SUPELCO, o-sec-Butylphenyl methylcarbamate, 45488_RIEDEL, CHEBI:34304

Molecular Formula: C12H17NO2Molecular Weight: 207.268880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: DIRFUJHNVNOBMY-UHFFFAOYSA-N

• 2,2'-Dipyridyl
IUPAC Name: 2-pyridin-2-ylpyridine | CAS Registry Number: 366-18-7
Synonyms: 2,2'-Bipyridyl, 2,2'-BIPYRIDINE, Bipyridine, 2,2'-Dipyridine, dipyridyl, 2,2'-Bipyridin, Umdipyridyl, Bipyridyl, alpha,alpha'-Dipyridyl, alpha,alpha'-Bipyridyl, alpha,alpha'-Dipyridine, 2,2-bipyridyl, 2,2 Bipyridine, 2,2-Bipyridine, AA-DP, 2,2 Bipyridyl, 2,2 Dipyridyl, 2,2-Dipyridyl, 2-(2-Pyridyl)pyridine, 2,2' Bipyridine

Molecular Formula: C10H8N2Molecular Weight: 156.183920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ROFVEXUMMXZLPA-UHFFFAOYSA-N

• 2-Chloroquinoline
IUPAC Name: 2-chloroquinoline | CAS Registry Number: 612-62-4
Synonyms: Chloroquinoline, QUINOLINE, 2-CHLORO-, CCRIS 3977, C70401_ALDRICH, NSC 6163, 24090_FLUKA, EINECS 210-317-8, NSC6163, BRN 0112561, ZINC00262512, AI3-08909, TL806281, LS-141716, EU-0033663, PB271215322, 5-20-07-00312 (Beilstein Handbook Reference), AH-034/32825008, 1,3-Propanediamine, N'-(7-chloro-4-quinolinyl)-N,N-dimethyl-, InChI=1/C9H6ClN/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6, 15847-17-3

Molecular Formula: C9H6ClNMolecular Weight: 163.603640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: OFUFXTHGZWIDDB-UHFFFAOYSA-N

• 1,4-Naphthalene dicarboxylic acid
IUPAC Name: naphthalene-1,4-dicarboxylic acid | CAS Registry Number: 605-70-9
Synonyms: 1,4-Naphthalic acid, Ambap3231, 1,4-Naphthalenedicarboxylic acid, Naphthalene-1,4-dicarboxylic acid, 333581_ALDRICH, Naphthalene-1,4-dicarboxlic acid, EINECS 210-094-7, TL8003836

Molecular Formula: C12H8O4Molecular Weight: 216.189520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: ABMFBCRYHDZLRD-UHFFFAOYSA-N

• 2-Amino-4-Chloro-5-Nitrophenol
IUPAC Name: 2-amino-4-chloro-5-nitrophenol | CAS Registry Number: 6358-07-2
Synonyms: 2-Amino-4-chloro-5-nitrophenol, CCRIS 4577, Phenol, 2-amino-4-chloro-5-nitro-, NSC7537, 246417_ALDRICH, NSC 7537, EINECS 228-760-0, BRN 3268343, SBB000270, CID3894848, LS-1528, NCGC00091280-01, Y28029, 2-13-00-00196 (Beilstein Handbook Reference), InChI=1/C6H5ClN2O3/c7-3-1-4(8)6(10)2-5(3)9(11)12/h1-2,10H,8H

Molecular Formula: C6H5ClN2O3Molecular Weight: 188.568500 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: ZARYBZGMUVAJMK-UHFFFAOYSA-N

• 1,3-Bis(3-Aminophenoxy) Benzene
IUPAC Name: 3-[3-(3-aminophenoxy)phenoxy]aniline | CAS Registry Number: 10526-07-5
Synonyms: 1,3-Bis(3-aminophenoxy)benzene, 3,3'-(m-Phenylenedioxy)dianiline, EINECS 234-082-6, SBB008356, ZINC00057118, 3,3'-(m-Phenylenebis(oxy))dianiline, FR-1279, Benzenamine, 3,3'-[1,3-phenylenebis(oxy)]bis-, Benzenamine, 3,3'-(1,3-phenylenebis(oxy))bis-

Molecular Formula: C18H16N2O2Molecular Weight: 292.331840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: DKKYOQYISDAQER-UHFFFAOYSA-N

• 2,4-Dichlorophenylhydrazine HCL
IUPAC Name: (2,4-dichlorophenyl)hydrazine | CAS Registry Number: 5446-18-4
Synonyms: (2,4-dichlorophenyl)hydrazine, 1-(2,4-Dichlorophenyl)hydrazine, Hydrazine, (2,4-dichlorophenyl)-, ALBB-008833, NSC17186, CID408929, ZINC00085236, A2253/0094888

Molecular Formula: C6H6Cl2N2Molecular Weight: 177.031240 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: ZTPAUBJZUBGGEY-UHFFFAOYSA-N

• 2,4,5-Trifluoronitrobenzene
IUPAC Name: 1,2,4-trifluoro-5-nitrobenzene | CAS Registry Number: 2105-61-5
Synonyms: Ambap4493, 1,2,4-Trifluoro-5-nitrobenzene, 258970_ALDRICH, 5-Nitro-1,2,4-trifluorobenzene, Benzene, 1,2,4-trifluoro-5-nitro-, NSC10248, EINECS 218-281-5, ZINC01706149, TL8001743

Molecular Formula: C6H2F3NO2Molecular Weight: 177.080790 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: ROJNMGYMBLNTPK-UHFFFAOYSA-N

• 2-Chloro Fluoro Benzene
IUPAC Name: 1-chloro-2-fluorobenzene | CAS Registry Number: 348-51-6
Synonyms: o-Chlorofluorobenzene, o-Fluorochlorobenzene, m-Chlorofluorobenzene, m-Fluorochlorobenzene, 3-Chlorofluorobenzene, Benzene, 1-chloro-2-fluoro-, 1-CHLORO-2-FLUOROBENZENE, 1-Fluoro-2-chlorobenzene, Ambap1418, 1-Chloro-3-fluorobenzene, 1-Fluoro-3-chlorobenzene, Benzene, 1-chloro-3-fluoro-, 162302_ALDRICH, 1-CHLORO-2-FLOUROBENZENE, NSC10270, EINECS 206-476-8, EINECS 210-919-0, NSC 10270, NSC 10271, TL8002595

Molecular Formula: C6H4ClFMolecular Weight: 130.547363 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ZCJAYDKWZAWMPR-UHFFFAOYSA-N

• 2-Fluoro Benzonitrile
IUPAC Name: 2-fluorobenzonitrile | CAS Registry Number: 394-47-8
Synonyms: 2-Fluorobenzonitrile, o-Fluorobenzonitrile, Benzonitrile, 2-fluoro-, o-Cyanofluorobenzene, Benzonitrile, o-fluoro-, NCIOpen2_001363, 196649_ALDRICH, 46675_FLUKA, Benzonitrile, o-fluoro- (8CI), BB_SC-3292, NSC88278, EINECS 206-897-7, NSC 88278, ZINC00164450, 2-FLUORO-BENZOIC ACID-NITRILE, F112, TL8002850, InChI=1/C7H4FN/c8-7-4-2-1-3-6(7)5-9/h1-4

Molecular Formula: C7H4FNMolecular Weight: 121.111763 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: GDHXJNRAJRCGMX-UHFFFAOYSA-N

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

Molecular Formula: C11H12O4Molecular Weight: 208.210580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: QAXPUWGAGVERSJ-VOTSOKGWSA-N

• 2,4-Difluoro Benzonitrile
IUPAC Name: 2,4-difluorobenzonitrile | CAS Registry Number: 3939-09-1
Synonyms: 2,4-Difluorobenzonitrile, Benzonitrile, 2,4-difluoro-, 264326_ALDRICH, ZINC00159425, BB_SC-3006, CID77545, JRD-0080, EINECS 223-523-8, 3S210990

Molecular Formula: C7H3F2NMolecular Weight: 139.102226 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: LJFDXXUKKMEQKE-UHFFFAOYSA-N

• 2,4,5-Trifluoro Aniline
IUPAC Name: 2,4,5-trifluoroaniline | CAS Registry Number: 367-34-0
Synonyms: 2,4,5-Trifluoroaniline, Ambap3047, Benzenamine, 2,4,5-trifluoro-, 311081_ALDRICH, NSC10289, CID94953, JRD-0262, EINECS 206-692-2, ZINC00409371, AI3-52252, TL8002714

Molecular Formula: C6H4F3NMolecular Weight: 147.097870 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: QMYVWJVVVMIBMM-UHFFFAOYSA-N

• 2,5-Dimethoxy Cinnamic Acid
IUPAC Name: (E)-3-(2,5-dimethoxyphenyl)prop-2-enoic acid | CAS Registry Number: 10538-51-9
Synonyms: 2,5-Dimethoxycinnamic acid, 2',5'-Dimethoxycinnamic acid, 143596_ALDRICH, MEGxp0_001746, ACon1_002358, trans-2,5-Dimethoxycinnamic acid, ALBB-007461, EINECS 234-114-9, SBB000471, NCGC00169921-01, (2E)-3-(2,5-dimethoxyphenyl)acrylic acid, 2-Propenoic acid, 3-(2,5-dimethoxyphenyl)-, 2,5-Dimethoxycinnamic acid, predominantly trans, (2E)-3-(2,5-Dimethoxyphenyl)-2-propenoic acid, 38489-74-6, InChI=1/C11H12O4/c1-14-9-4-5-10(15-2)8(7-9)3-6-11(12)13/h3-7H,1-2H3,(H,12,13)/b6-3

Molecular Formula: C11H12O4Molecular Weight: 208.210580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: JPQWWJZORKTMIZ-ZZXKWVIFSA-N

• 2-Cyanopyrimidine
IUPAC Name: pyrimidine-2-carbonitrile | CAS Registry Number: 14080-23-0
Synonyms: pyrimidine-2-carbonitrile, 2-Pyrimidinecarbonitrile, AG-D-81557, F2173-0037, 2-cyano-pyrimidine, 2-Cyano pyrimidine, Pyrimidinecarbonitrile, ZINC02531032, zlchem 283, PubChem7042, 2CPM, ACMC-1BOY6, AGN-PC-0D4UNG, SureCN151679, AC1MBX40, SureCN2643396, 2-CPY, KSC138C0F, 646830_ALDRICH, AC1Q4R59

Molecular Formula: C5H3N3Molecular Weight: 105.097420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: IIHQNAXFIODVDU-UHFFFAOYSA-N

• (2r)-2-Piperazine Carboxylic Acid
• 1,2-Dibromo-2,4-dicyanobutane
IUPAC Name: 2-bromo-2-(bromomethyl)pentanedinitrile | CAS Registry Number: 35691-65-7
Synonyms: Bromothalonil, Tektamer, Metacide 38, Tektamer 38, Tektamer 38AD, BBMG, MDBGN, Tuopai DM 01, Caswell No. 114G, Methyldibromoglutaronitrile, Methyldibromo glutaronitrile, HSDB 7313, 2-Bromo-2-bromoethylglutaronitrile, EINECS 252-681-0, 2-Bromo-2-(bromomethyl)glutaronitrile, EPA Pesticide Chemical Code 111001, Glutaronitrile, 2-bromo-2-(bromomethyl)-, 2-Bromo-2-(bromomethyl) glutaronitrile, Pentanedinitrile, 2-bromo-2-(bromomethyl)-, 2-Bromo-2-(bromomethyl) pentanedinitrile

Molecular Formula: C6H6Br2N2Molecular Weight: 265.933240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DHVLDKHFGIVEIP-UHFFFAOYSA-N

• 2-Hydroxy-2-methylbutyric acid
IUPAC Name: 2-hydroxy-2-methylbutanoic acid | CAS Registry Number: 3739-30-8
Synonyms: Ambap2984, H40009_ALDRICH, 2-hydroxy-2-methylbutanoicacid, Butanoic acid, 2-hydroxy-2-methyl-, NSC9458, Butyric acid, 2-hydroxy-2-methyl-, EINECS 223-120-7, AI3-18883, AB-131/40897105

Molecular Formula: C5H10O3Molecular Weight: 118.131100 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: MBIQENSCDNJOIY-UHFFFAOYSA-N

• (S)-4-Amino-2-hydroxybutyric acid
IUPAC Name: (2S)-4-azaniumyl-2-hydroxybutanoate | CAS Registry Number: 40371-51-5
Synonyms: ZINC02019611, CID6999098

Molecular Formula: C4H9NO3Molecular Weight: 119.119160 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: IVUOMFWNDGNLBJ-VKHMYHEASA-N

• 2-(3-Benzoylphenyl)propionitrile
IUPAC Name: 2-[3-(benzoyl)phenyl]propanenitrile | CAS Registry Number: 42872-30-0
Synonyms: 2-(m-Benzoylphenyl)propionitrile, 196347_ALDRICH, EINECS 255-982-5, BRN 2844731, LS-29023, 24336 R.P, TL8007037, 24336 R.P., BENZENEACETONITRILE, 3-BENZOYL-alpha-METHYL-, Benzeneacetonitrile, 3-benzoyl-.alpha.-methyl-

Molecular Formula: C16H13NOMolecular Weight: 235.280520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RGYOCHMZSLUCNP-UHFFFAOYSA-N

• 2,3-Pyrazinedicarboxylic anhydride
IUPAC Name: furo[3,4-b]pyrazine-5,7-dione | CAS Registry Number: 4744-50-7
Synonyms: Furo[3,4-b]pyrazine-5,7-dione, 405019_ALDRICH, 2,3-Pyrazinecarboxylic anhydride, ZERO/005276, AIDS189631, Furo(3,4-b)pyrazine-5,7-dione, AIDS-189631, EINECS 225-260-4, FS000874, EC-000.1366, 2,3-Pyrazinedicarboxylic anhydride treated BSA, 2,3-Pyrazinedicarboxylic anhydride treated bovine serum albumin

Molecular Formula: C6H2N2O3Molecular Weight: 150.091680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: AWJWCTOOIBYHON-UHFFFAOYSA-N

• 4-Amino-5-methoxy-2-methyl-N-methylbenzenesulfonamide
IUPAC Name: 4-amino-5-methoxy-N,2-dimethylbenzenesulfonamide | CAS Registry Number: 49564-57-0
Synonyms: EINECS 256-380-5, TL8003297, N,2-Dimethyl-4-amino-5-methoxybenzenesulfonamide, 4-Amino-5-methoxy-N,2-dimethylbenzenesulphonamide, 4-Amino-5-methoxy-2-methylbenzenesulfon-N-methylamide, Benzenesulfonamide, 4-amino-5-methoxy-N,2-dimethyl-, 79116-56-6

Molecular Formula: C9H14N2O3SMolecular Weight: 230.284060 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: GWSQAGVGSHXRJK-UHFFFAOYSA-N

• 1,2-Naphthalenedione
IUPAC Name: naphthalene-1,2-dione | CAS Registry Number: 524-42-5
Synonyms: o-Naphthoquinone, 1,2-NAPHTHOQUINONE, beta-Naphthoquinone, 1,2-Naphthaquinone, .beta.-Naphthoquinone, ortho-naphthoquinone, 1,2-Naftochinon [Czech], CCRIS 1558, WLN: L66 BVVJ, HSDB 2036, MLS000069467, 346616_ALDRICH, 1,2-Dione-Based Compound, 8, NSC 9831, EINECS 208-360-2, C10H6O2, NSC9831, 1,2-Dihydro-1,2-diketo-naphthalene, AIDS017889, BB_SC-0615

Molecular Formula: C10H6O2Molecular Weight: 158.153440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: KETQAJRQOHHATG-UHFFFAOYSA-N

• 1-Naphthalenethiol
IUPAC Name: naphthalene-1-thiol | CAS Registry Number: 529-36-2
Synonyms: .alpha.-Naphthyl mercaptan, CID68259, EINECS 208-462-7, AI3-14854

Molecular Formula: C10H8SMolecular Weight: 160.235520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: SEXOVMIIVBKGGM-UHFFFAOYSA-N

• 1,2,3,4-Tetrafluorobenzene
IUPAC Name: 1,2,3,4-tetrafluorobenzene | CAS Registry Number: 551-62-2
Synonyms: TETRAFLUOROBENZENE, 1,2,3,4-TETRAFLUOROBENZENE, Benzene, 1,2,3,4-tetrafluoro-, T11630_ALDRICH, 2,3,4,5-Tetrafluorobenzene, NSC21635, EINECS 208-997-6, EINECS 248-779-8, TL8003603, 28016-01-5

Molecular Formula: C6H2F4Molecular Weight: 150.073693 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: SOZFIIXUNAKEJP-UHFFFAOYSA-N

• 2-Aminotoluene-4-sulfonic acid
IUPAC Name: 3-amino-4-methylbenzenesulfonic acid | CAS Registry Number: 618-03-1
Synonyms: 3-Amino-p-toluenesulfonic acid, 2-Amino-4-toluenesulfonic acid, NSC7922, p-Toluenesulfonic acid, 3-amino-, 2-Aminotoluene-4-sulphonic acid, 3-Amino-4-methylbenzenesulfonic acid, CID69246, NSC 7922, EINECS 210-540-0, 1-Amino-2-methyl-5-benzenesulfonic acid, Benzenesulfonic acid, 3-amino-4-methyl-, 3-Amino-4-methyl-benzenesulfonic acid, BAS 00531520, ST5233538

Molecular Formula: C7H9NO3SMolecular Weight: 187.216260 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: DTNODBHGOLWROS-UHFFFAOYSA-N

• 1-Indolepropionic acid
IUPAC Name: 3-indol-1-ylpropanoic acid | CAS Registry Number: 6639-06-1
Synonyms: Indole-1-propionic acid, 1H-Indole-1-propionic acid, NSC17814, 3-(1H-indol-1-yl)propanoic acid, ALBB-009256, CID81139, EINECS 229-643-7, ST5444546

Molecular Formula: C11H11NO2Molecular Weight: 189.210540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: OSWNOVFZARRSKM-UHFFFAOYSA-N

• (R)-(+) 4-Bromotetramisole oxalate
IUPAC Name: (6R)-6-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole | CAS Registry Number: 71461-24-0
Synonyms: S(-)-p-Bromotetramisole oxalate, ZINC00056496, NCGC00162046-01

Molecular Formula: C11H11BrN2SMolecular Weight: 283.187440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: HTHGAIADRJRJOY-JTQLQIEISA-N

• (s)-(+)-2-(Benzyloxycarbonyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid
IUPAC Name: (3S)-2-(phenylmethoxycarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate | CAS Registry Number: 79261-58-8
Synonyms: ZINC00057069, CID6921671

Molecular Formula: C18H16NO4-Molecular Weight: 310.323940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: YWVQGUBCAUFBCP-INIZCTEOSA-M

• 2-Amino-N-ethyl-N-phenyl-benzenesulfonamide
IUPAC Name: 2-amino-N-ethyl-N-phenylbenzenesulfonamide | CAS Registry Number: 81-10-7
Synonyms: 562947_ALDRICH, 2-Amino-N-ethylbenzenesulfonanilide, NSC81263, 2-Amino-N-ethylbenzenesulphonanilide, EINECS 201-324-7, NSC 81263, N-Ethyl-N-phenyl-o-aminobenzenesulfonamide, Benzenesulfonanilide, 2-amino-N-ethyl-, Benzenesulfonanilide, 2-amino-n-ethyl-,, 2-Amino-N-ethyl-N-phenylbenzenesulfonamide, Benzenesulfonamide, 2-amino-N-ethyl-N-phenyl-, 2-Aminobenzene-N-ethyl-N-phenyl sulfonamide, ST5409344, Benzenesulfonanilide, 2-amino-N-ethyl- (8CI)

Molecular Formula: C14H16N2O2SMolecular Weight: 276.354040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: OXZNTECZWGFYMM-UHFFFAOYSA-N

• 2-Chloro-4-fluorotoluene
IUPAC Name: 2-chloro-4-fluoro-1-methylbenzene | CAS Registry Number: 452-73-3
Synonyms: Ambap22, 247693_ALDRICH, Benzene, 2-chloro-4-fluoro-1-methyl-, NSC88317, EINECS 207-209-8, ZINC00164825, C108, TL8003145

Molecular Formula: C7H6ClFMolecular Weight: 144.573943 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: CSARJIQZOSVYHA-UHFFFAOYSA-N

• 2-Chloro-4'-fluorobenzophenone
IUPAC Name: (2-chlorophenyl)-(4-fluorophenyl)methanone | CAS Registry Number: 1806-23-1
Synonyms: 2-Chloro-4-fluorobenzophenone, NSC141026, CID74547, EINECS 217-300-4, ZINC00394857, Methanone, (2-chlorophenyl)(4-fluorophenyl)-, NSC 141026, ST5410014, TL8003007

Molecular Formula: C13H8ClFOMolecular Weight: 234.653423 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DODIKYQYCCFWRZ-UHFFFAOYSA-N

• 2,6-Dichlorobenzaloxime
IUPAC Name: (NZ)-N-[(2,6-dichlorophenyl)methylidene]hydroxylamine | CAS Registry Number: 25185-95-9
Synonyms: ZINC00124443

Molecular Formula: C7H5Cl2NOMolecular Weight: 190.026700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YBSXDWIAUZOFFV-WMZJFQQLSA-N

• 2,5-Difluorobromobenzene
IUPAC Name: 2-bromo-1,4-difluorobenzene | CAS Registry Number: 399-94-0
Synonyms: 1-Bromo-2,5-difluorobenzene, 2-Bromo-1,4-difluorobenzene, 247952_ALDRICH, Benzene, 2-bromo-1,4-difluoro-, JRD-0410, NSC10250, EINECS 206-920-0, ZINC00160131, ST5405330, TL8002891, InChI=1/C6H3BrF2/c7-5-3-4(8)1-2-6(5)9/h1-3

Molecular Formula: C6H3BrF2Molecular Weight: 192.988826 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: XCRCSPKQEDMVBO-UHFFFAOYSA-N

• 2,4-Difluorotoluene
IUPAC Name: 2,4-difluoro-1-methylbenzene | CAS Registry Number: 452-76-6
Synonyms: Difluorotoluene, Ambap2874, Benzene, 2,4-difluoro-1-methyl-, 133892_ALDRICH, NSC3465, CID67983, EINECS 207-211-9, TL8003146

Molecular Formula: C7H6F2Molecular Weight: 128.119346 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MPXDAIBTYWGBSL-UHFFFAOYSA-N

• 1H-1,2,4-Triazole-3-carboxylic acid
IUPAC Name: 1H-1,2,4-triazole-5-carboxylic acid | CAS Registry Number: 4928-87-4
Synonyms: 658472_ALDRICH, ZERO/004548, 1,2,4-Triazole-3-carboxylic acid, NSC165527, NSC202574, 1H-1,2,4-triazole-5-carboxylic acid, AE-848/32589003

Molecular Formula: C3H3N3O2Molecular Weight: 113.074820 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: LJVQHXICFCZRJN-UHFFFAOYSA-N

• 2,6-Difluorophenylacetonitrile
IUPAC Name: 2-(2,6-difluorophenyl)acetonitrile | CAS Registry Number: 654-01-3
Synonyms: 264512_ALDRICH, (2,6-Difluorophenyl)acetonitrile, Benzeneacetonitrile, 2,6-difluoro-, JRD-0487, EINECS 211-504-7, SBB006682, ZINC00409205

Molecular Formula: C8H5F2NMolecular Weight: 153.128806 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: GVAYBGQTAADLJS-UHFFFAOYSA-N

• (S)-(+)-2-Methylpiperazine
IUPAC Name: (2S)-2-methylpiperazine | CAS Registry Number: 74879-18-8
Synonyms: (S)-2-Methylpiperazine, (2S)-2-methylpiperazine, S-MP, (S)-2-Methyl-Piperazine, AG-G-98021, PIPERAZINE, 2-METHYL-, (2S)-, s-2-methylpiperazine, PubChem9701, PubChem15035, 2-(s)-methylpiperazine, (S)-3-Methylpiperazine, AC1MC0MO, (-)-2-Methylpiperazine, SureCN16558, UNII-C5VI3S1YC0, s-(+)-2-methylpiperazine, AC1Q29PO, 2-Methylpiperazine, (S)-, S-(-)-2-Methylpiperazine, s-(+)-2-methyl piperazine

Molecular Formula: C5H12N2Molecular Weight: 100.162180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: JOMNTHCQHJPVAZ-YFKPBYRVSA-N

• 2-Aminophenethyl alcohol
IUPAC Name: 2-(2-aminophenyl)ethanol | CAS Registry Number: 5339-85-5
Synonyms: Benzeneethanol, 2-amino-, 2-(o-Aminophenyl)ethanol, o-Aminophenethyl alcohol, Phenethyl alcohol, o-amino-, 2-(2-Aminophenyl)ethanol, 192600_ALDRICH, NSC3572, Benzeneethanol, 2-amino- (9CI), NSC 3572, EINECS 226-275-9, AI3-18009, InChI=1/C8H11NO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,10H,5-6,9H

Molecular Formula: C8H11NOMolecular Weight: 137.179040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: ILDXSRFKXABMHH-UHFFFAOYSA-N

• 2,5-Dithiobiurea (Dithiamide)
IUPAC Name: (carbamothioylamino)thiourea | CAS Registry Number: 142-46-1
Synonyms: Dithiobiurea, Bithiourea, Dithiourea, Bis(thiourea), Dithiobiuret, 2,5-DITHIOBIUREA, 2,5-Dithiodiurea, Bithiourea (VAN), Biurea, 2,5-dithio-, Dithiocarbamoylhydrazine, Dithiobiurea (VAN), 2,5-dithiourea, Hydrazodicarbothioamide, Bisthiocarbamyl hydrazine, 1,2-Hydrazinedicarbothioamide, USAF ek-p-6281, WLN: SUYZMMYZUS, Dithiocarbamoyl hydrazine, USAF B-44, USAF B-55

Molecular Formula: C2H6N4S2Molecular Weight: 150.225840 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 0

InChIKey: KCOYHFNCTWXETP-UHFFFAOYSA-N

• 1,8-Dinitronaphthalene
IUPAC Name: 1,8-dinitronaphthalene | CAS Registry Number: 602-38-0
Synonyms: 1,8-DINITRONAPHTHALENE, Naphthalene, 1,8-dinitro-, CCRIS 2840, NSC 6323, CHEBI:50642, EINECS 210-016-1, NSC6323, BRN 1881846, ZINC01693402, AI3-08844, LS-1434, 4-05-00-01681 (Beilstein Handbook Reference), InChI=1/C10H6N2O4/c13-11(14)8-5-1-3-7-4-2-6-9(10(7)8)12(15)16/h1-6

Molecular Formula: C10H6N2O4Molecular Weight: 218.165640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: AVCSMMMOCOTIHF-UHFFFAOYSA-N

• 1,1-Di(tert-Butylperoxy)cyclohexane
IUPAC Name: 1,1-bis(tert-butylperoxy)cyclohexane | CAS Registry Number: 3006-86-8
Synonyms: 531758_ALDRICH, Cyclohexylidenebis(tert-butyl) peroxide, CID76359, EINECS 221-111-2, 1,1-Bis(tert-butylperoxy)cyclohexane solution, Peroxide, cyclohexylidenebis((1,1-dimethylethyl), 1,1-Bis(tert-butylperoxy)cyclohexane (Luperox(R) 331M80) solution

Molecular Formula: C14H28O4Molecular Weight: 260.369720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: HSLFISVKRDQEBY-UHFFFAOYSA-N

• (S)-(+)-2-Aminoheptane
IUPAC Name: (2S)-heptan-2-amine | CAS Registry Number: 44745-29-1
Synonyms: 2-Heptanamine, (2S)-, (S)-2-aminoheptane, Tuaminoheptane, (+)-, (2S)-heptan-2-amine, AC1MC1BF, UNII-1N3L0R99QB, 462632_ALDRICH, CTK1D5649, AKOS006240271, AG-A-07796, KB-04140, FT-0605250, I14-45950, 2-Heptanamine,(S)-;(+)-2-Aminoheptane;(+)-2-Heptylamine;(S)-(+)-2-Aminoheptane;(S)-2-Aminoheptane;(S)-2-Heptanamine;(S)-2-Heptylamine;d-2-Aminoheptane;

Molecular Formula: C7H17NMolecular Weight: 115.216580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: VSRBKQFNFZQRBM-ZETCQYMHSA-N

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

Molecular Formula: C8H5Cl3OMolecular Weight: 223.483700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: BXJZZJYNVIDEKG-UHFFFAOYSA-N

• 2-Chloro-5-methylphenol
IUPAC Name: 2-chloro-5-methylphenol | CAS Registry Number: 615-74-7
Synonyms: 6-Chloro-m-cresol, m-Cresol, 6-chloro-, Phenol, 2-chloro-5-methyl-, 3-Methyl-6-chlorophenol, 5-Methyl-2-chlorophenol, 6-Chloro-3-methylphenol, CHLORO-M-CRESOL, Ambap5773, 4-Chloro-3-hydroxytoluene, 2-CHLORO-5-METHYLPHENOL, 2-CHLOROMETHYLPHENOL, Chloro-m-cresol, all isomers, HSDB 7107, 159557_ALDRICH, Chloro-m-toluidine, all isomers, 3-Methylphenol monochloro deriv., EINECS 210-444-9, BRN 2041487, ZINC00388375, Phenol, 3-methyl-, monochloro deriv.

Molecular Formula: C7H7ClOMolecular Weight: 142.582880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: SMFHPCZZAAMJJO-UHFFFAOYSA-N

• 2,6-Difluorobenzaldehyde
IUPAC Name: 2,6-difluorobenzaldehyde | CAS Registry Number: 437-81-0
Synonyms: 265152_ALDRICH, JRD-0120, SBB006685, ZINC02539337, TL806242

Molecular Formula: C7H4F2OMolecular Weight: 142.102866 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: SOWRUJSGHKNOKN-UHFFFAOYSA-N

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

Molecular Formula: C7H5F2NOMolecular Weight: 157.117506 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KTXFXDMDYZIXSJ-UHFFFAOYSA-N

• 3-Acetylpyridine
IUPAC Name: 1-pyridin-3-ylethanone | CAS Registry Number: 350-03-8
Synonyms: 3-Acetopyridine, 3-ACETYLPYRIDINE, beta-Acetylpyridine, Methyl pyridyl ketone, Ketone, methyl 3-pyridyl, Methyl 3-pyridyl ketone, Pyridine, 3-acetyl-, 3-Pyridyl methyl ketone, Ethanone, 1-(3-pyridinyl)-, 1-(3-Pyridinyl)ethanone, .beta.-Acetylpyridine, 1-(3-Pyridenyl)ethanone, 1-pyridin-3-ylethanone, PYRIDINE,3-ACETYL, C7H7NO, FEMA No. 3424, WLN: T6NJ CV1, NCIOpen2_001469, A21207_ALDRICH, Methyl .beta.-pyridyl ketone

Molecular Formula: C7H7NOMolecular Weight: 121.136580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: WEGYGNROSJDEIW-UHFFFAOYSA-N


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