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• 3,4-Methylenedioxy Nitrobenzene
IUPAC Name: 5-nitro-1,3-benzodioxole | CAS Registry Number: 2620-44-2
Synonyms: 5-Nitrobenzodioxole, Methylenedioxynitrobenzene, 5-Nitro-1,3-benzodioxole, 1,3-Benzodioxole, 5-nitro-, 3,4-Methylenedioxynitrobenzene, 1,2-(Methylenedioxy)-4-nitrobenzene, 161500_ALDRICH, NSC5562, 3,4-(Methylenedioxy)-1-nitrobenzene, NSC 5562, EINECS 220-055-6, STK318151, ZINC00566580, Benzene, 1,2-(methylenedioxy)-4-nitro-, ST5406750, InChI=1/C7H5NO4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H

Molecular Formula: C7H5NO4Molecular Weight: 167.118900 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: SNWQAKNKGGOVMO-UHFFFAOYSA-N

• 4-Chloro-2-Acetamino-Toluene
IUPAC Name: N-(5-chloro-2-methylphenyl)acetamide | CAS Registry Number: 5900-55-0
Synonyms: 5-Chloro-2-methylacetanilide, o-Acetotoluidide, 5'-chloro-, 5'-Chloro-2'-methylacetanilide, N-(5-Chloro-2-methylphenyl)acetamide, EINECS 227-592-5, NSC404301, ZINC00331181, Acetamide, N-(5-chloro-2-methylphenyl)-, ST5443062, AC-907/25004932

Molecular Formula: C9H10ClNOMolecular Weight: 183.634800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: AQHVWJACZZWZPW-UHFFFAOYSA-N

• 2-Bromo-1,3,5-trifluorobenzene
IUPAC Name: 2-bromo-1,3,5-trifluorobenzene | CAS Registry Number: 2367-76-2
Synonyms: 1-Bromo-2,4,6-trifluorobenzene, 2,4,6-Trifluorobromobenzene, 247987_ALDRICH, Benzene, 2-bromo-1,3,5-trifluoro-, CID75398, EINECS 219-125-9, TE3097, ST5408595, TL8001955, InChI=1/C6H2BrF3/c7-6-4(9)1-3(8)2-5(6)10/h1-2

Molecular Formula: C6H2BrF3Molecular Weight: 210.979290 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: PZBSPSOGEVCRQI-UHFFFAOYSA-N

• 2-Methoxy-3-ethylpyrazine
IUPAC Name: 2-ethyl-3-methoxypyrazine | CAS Registry Number: 25680-58-4
Synonyms: 2-ETHYL-3-METHOXYPYRAZINE, Pyrazine, 2-ethyl-3-methoxy-, W514403_ALDRICH, 293806_ALDRICH, EINECS 247-184-0, ZINC00409299, InChI=1/C7H10N2O/c1-3-6-7(10-2)9-5-4-8-6/h4-5H,3H2,1-2H

Molecular Formula: C7H10N2OMolecular Weight: 138.167100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: DPCILIMHENXHQX-UHFFFAOYSA-N

• 2-(2-Hydroxy-5-tert-octylphenyl)benzotriazole
IUPAC Name: 2-(benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol | CAS Registry Number: 3147-75-9
Synonyms: OCTRIZOLE, UV Absorber-5, Sumisorb 340, Seesorb 709, Tinuvin 329, Viosorb 583, Cyasorb 5411, Cyasorb UV 5411, Octrizole [USAN:INN], Octrizol [INN-Spanish], Octrizolum [INN-Latin], Spectra-Sorb UV 5411, Octrizole (USAN/INN), Oprea1_301042, 322806_ALDRICH, 2-Benzotriazolyl-4-tert-octylphenol, EINECS 221-573-5, ZINC01849911, 2-(2-Hydroxy-5-t-octylphenyl)benzotriazole, 2-(5-t-Octyl-2-hydroxyphenyl)benzotriazole

Molecular Formula: C20H25N3OMolecular Weight: 323.432000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: IYAZLDLPUNDVAG-UHFFFAOYSA-N

• 5-Bromo-2-fluorotoluene
IUPAC Name: 4-bromo-1-fluoro-2-methylbenzene | CAS Registry Number: 51437-00-4
Synonyms: 283495_ALDRICH, 17105_FLUKA, Benzene, 4-bromo-1-fluoro-2-methyl-, EINECS 257-202-9, ST5405489, TL8003405, InChI=1/C7H6BrF/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H

Molecular Formula: C7H6BrFMolecular Weight: 189.024943 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: VXKYOKPNAXNAFU-UHFFFAOYSA-N

• 2,4-difluorobenzoic acid
IUPAC Name: 2,4-difluorobenzoic acid | CAS Registry Number: 1583-58-0
Synonyms: 2,4-Difluorobenzoic acid, Ambap1792, 2,4-Difluoro-benzoic acid, Benzoic acid, 2,4-difluoro-, 2,4-DIFLUOROBENZOATE, 264296_ALDRICH, NSC10312, CID74102, JRD-0116, EINECS 216-430-9, TL806420, InChI=1/C7H4F2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11

Molecular Formula: C7H4F2O2Molecular Weight: 158.102266 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: NJYBIFYEWYWYAN-UHFFFAOYSA-N

• 2-Bromo-3-methylbutyric acid
IUPAC Name: 2-bromo-3-methylbutanoic acid | CAS Registry Number: 565-74-2
Synonyms: 2-Bromoisovaleric acid, alpha-Bromoisovaleric acid, 2-Bromo-3-methylbutanoic acid, Butyric acid, 2-bromo-3-methyl-, Butanoic acid, 2-bromo-3-methyl-, .alpha.-Bromoisovaleric acid, NSC 167, 251003_ALDRICH, NSC167, 17460_FLUKA, EINECS 209-291-0, NSC6967, BB_SC-0176, BRN 1721146, AI3-21065, 2-BROMO-3-METHYL-BUTANOIC ACID, LS-47883, (+/-)-2-BROMO-3-METHYLBUTYRIC ACID, Butanoic acid, 2-bromo-3-methyl-, (.+/-.)-, InChI=1/C5H9BrO2/c1-3(2)4(6)5(7)8/h3-4H,1-2H3,(H,7,8

Molecular Formula: C5H9BrO2Molecular Weight: 181.027760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: UEBARDWJXBGYEJ-UHFFFAOYSA-N

• (S)-3-Chloro-1,2-propanediol
IUPAC Name: (2S)-3-chloropropane-1,2-diol | CAS Registry Number: 60827-45-4
Synonyms: alpha-Chlorohydrin, (S)-alpha-Chlorohydrin, sGPhMQDIK]UQX@, S-3-Chloro-1,2-propanediol, 3-Chloropropane-1,2-diol, CCRIS 7386, 1,2-Propanediol, 3-chloro-, 540064_ALDRICH, (S)-alpha-Glycerol chlorohydrin, 26077_FLUKA, 1,2-Propanediol, 3-chloro-, (S)-, ZINC02041174, (S)-()-3-Chloro-1,2-propanediol, (S)-(+)-3-Chloro-1,2-propanediol, LS-120253, TL8003855, InChI=1/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H, 96-24-2

Molecular Formula: C3H7ClO2Molecular Weight: 110.539480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: SSZWWUDQMAHNAQ-GSVOUGTGSA-N

• 2,4-Dimethoxy-6-chloropyrimidine
IUPAC Name: 4-chloro-2,6-dimethoxypyrimidine | CAS Registry Number: 6320-15-6
Synonyms: C36408_ALDRICH, 6-Chloro-2,4-dimethoxypyrimidine, NSC31796, 4-Chloro-2,6-dimethoxypyrimidine, CID80600, EINECS 228-669-6, ZINC00399489, Pyrimidine, 4-chloro-2,6-dimethoxy-, ST5410866

Molecular Formula: C6H7ClN2O2Molecular Weight: 174.584980 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: JHNRTJRDRWKAIW-UHFFFAOYSA-N

• 2,5-Diamino-1,3-benzenedisulfonic acid
IUPAC Name: 2,5-diaminobenzene-1,3-disulfonic acid | CAS Registry Number: 6409-48-9
Synonyms: 2,5-diaminobenzene-1,3-disulfonic acid, 2,5-DIAMINO-1,3-BENZENEDISULFONIC ACID, AGN-PC-00OMHL, CTK2F2940, MolPort-005-942-899, AKOS015891341, AG-G-40158, p-Phenylenediamine-2,6-disulfonic acid, AK112360, 1,3-Benzenedisulfonicacid, 2,5-diamino-, 1,3-Benzenedisulfonic acid, 2,5-diamino-, KB-165213, 2,5-bis(azanyl)benzene-1,3-disulfonic acid, FT-0636139, A834638, I01-9820, m-Benzenedisulfonicacid, 2,5-diamino- (7CI,8CI); 1,4-Diamino-2,6-benzenedisulfonic acid;1,4-Phenylenediamine-2,6-disulfonic acid; 2,5-Diamino-1,3-benzenedisulfonicacid; p-Phenylenediamine-2,6-disulfonic acid

Molecular Formula: C6H8N2O6S2Molecular Weight: 268.267520 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: QGNJPFLIBOTDKU-UHFFFAOYSA-N

• 2,4,6-Trichlorobenzonitrile
IUPAC Name: 2,4,6-trichlorobenzonitrile | CAS Registry Number: 6575-05-9
Synonyms: ZINC00167063, CID522179, ST5406943

Molecular Formula: C7H2Cl3NMolecular Weight: 206.456480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: PGODHCIOIPODFE-UHFFFAOYSA-N

• (1R,2R)-(-)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol
IUPAC Name: (1R,2R)-2-amino-1-(4-nitrophenyl)propane-1,3-diol | CAS Registry Number: 716-61-0
Synonyms: Levoamine, Chloramphenicol base, A70704_ALDRICH, EINECS 211-938-7, LS-120138, TL8005023, D-(-)Threo-2-amino-1-(p-nitrophenyl)propane-1,3-diol, D-threo-(-)-2-Amino-1-(p-nitrophenyl)-1,3-propanediol, 1,3-Propanediol, 2-amino-1-(p-nitrophenyl)-, D-threo-(-)-, (1R,2R)-(−)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol, D-(−)-threo-2-Amino-1-(p-nitrophenyl)-1,3-propanediol

Molecular Formula: C9H12N2O4Molecular Weight: 212.202580 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: OCYJXSUPZMNXEN-RKDXNWHRSA-N

• 1,2-dichloro-4,5-dinitro-benzene
IUPAC Name: 1,2-dichloro-4,5-dinitrobenzene | CAS Registry Number: 6306-39-4
Synonyms: Parazol, 1,2-Dichloro-4,5-dinitrobenzene, 1,2diCl4,5diNO2Ph, 4,5-Dichloro-1,2-dinitrobenzene, WLN: WNR CG DG FNW, Benzene, 1,2-dichloro-4,5-dinitro-, 300365_ALDRICH, NSC 22945, AIDS006011, AIDS-006011, CID80565, NSC22945, BRN 2460868, AI3-19504, LS-29796, 4-05-00-00747 (Beilstein Handbook Reference)

Molecular Formula: C6H2Cl2N2O4Molecular Weight: 236.997080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: IGSAVPVCQHAPSM-UHFFFAOYSA-N

• 3-Methoxysalicylic acid
IUPAC Name: 2-hydroxy-3-methoxybenzoic acid | CAS Registry Number: 877-22-5
Synonyms: o-Vanillic acid, Acide orthovanillique, 3-Hydroxy-m-anisic acid, 2-Hydroxy-3-methoxybenzoic acid, m-Anisic acid, 2-hydroxy-, WLN: QVR BQ CO1, Benzoic acid, 2-hydroxy-3-methoxy-, 196495_ALDRICH, 55546_FLUKA, EINECS 212-888-9, AIDS018088, NSC 134533, NSC 408167, AIDS-018088, BRN 2209642, NSC134533, NSC408167, LS-20097, ST5406420, Benzoic acid, 2-hydroxy-3-methoxy- (9CI)

Molecular Formula: C8H8O4Molecular Weight: 168.146720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: AUZQQIPZESHNMG-UHFFFAOYSA-N

• 2-ethyl-3,5-dimethylpyrazine
IUPAC Name: 2-ethyl-3,5-dimethylpyrazine | CAS Registry Number: 55031-15-7
Synonyms: 2-ETHYL-3,5-DIMETHYLPYRAZINE, 3,5-Dimethyl-2-ethylpyrazine, 13925-07-0, Pyrazine, 2-ethyl-3,5-dimethyl-, FEMA 3150, 2,6-Dimethyl-3-ethylpyrazine, 3-Ethyl-2,6-dimethylpyrazine, Pyrazine, 2,6-dimethyl-3-ethyl-, Pyrazine, 3,5-dimethyl-2-ethyl-, UNII-R182EY5L8C, FEMA No. 3149, 2-Ethyl-3,5-dimethyl pyrazine, EINECS 237-694-1, BRN 0636984, ACMC-1AJVY, AC1L1AX6, MLS000517293, SCHEMBL108874, CHEMBL328856, R182EY5L8C

Molecular Formula: C8H12N2Molecular Weight: 136.194280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: JZBCTZLGKSYRSF-UHFFFAOYSA-N

• 4,4'-Dinitrobibenzyl
IUPAC Name: 1-nitro-4-[2-(4-nitrophenyl)ethyl]benzene | CAS Registry Number: 736-30-1
Synonyms: 4,4'-Dinitrodibenzyl, p,p'-Dinitrobibenzyl, p,p'-Dinitrodibenzyl, Bibenzyl, 4,4'-dinitro-, 1,2-Bis(4-nitrophenyl)ethane, 1,2-Bis(p-nitrophenyl)ethane, Dinitro-4,4' dibenzyle, NSC 608, NCIOpen2_002512, Dinitro-4,4' dibenzyle [French], NSC608, 1,2-Ethanediylbis(4-nitrobenzene), EINECS 212-001-5, NSC 60022, 1,2-Ethanediylbis[4-nitrobenzene], CID69776, NSC60022, Bibenzyl, 4,4'-dinitro- (8CI), STK005038, ZINC01596369

Molecular Formula: C14H12N2O4Molecular Weight: 272.256080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: BSNKHEKTRWNNAC-UHFFFAOYSA-N

• 1-Nitroanthraquinone
IUPAC Name: 1-nitroanthracene-9,10-dione | CAS Registry Number: 82-34-8
Synonyms: 1-Nitroanthrachinon, 1-NITROANTHRAQUINONE, Anthraquinone, 1-nitro-, alpha-Nitroanthraquinone, 1-Nitro-anthraquinone, 1-Nitroanthrachinon [Czech], .alpha.-Nitroanthraquinone, 9,10-Anthracenedione, 1-nitro-, 1-nitroanthra-9,10-quinone, EINECS 201-413-0, CID6704, NSC 12125, NSC12125, WLN: L C666 BV IVJ DNW, ZINC03850744, BAS 00337029, LS-20706

Molecular Formula: C14H7NO4Molecular Weight: 253.209680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: YCANAXVBJKNANM-UHFFFAOYSA-N

• (1S,2S)-(+)-2-Amino-1-Phenyl-1,3-Propanediol
IUPAC Name: (1S,2S)-2-amino-1-phenylpropane-1,3-diol | CAS Registry Number: 28143-91-1
Synonyms: Ambap5865, 186546_ALDRICH, EINECS 248-867-6, EINECS 256-250-8, CID119881, L-()-threo-2-Amino-1-phenyl-1,3-propanediol, (1S,2S)-()-2-Amino-1-phenyl-1,3-propanediol, (S(R*,R*))-2-Amino-1-phenylpropane-1,3-diol

Molecular Formula: C9H13NO2Molecular Weight: 167.205020 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: JUCGVCVPNPBJIG-IUCAKERBSA-N

• 1,4-Dioxane
IUPAC Name: 1,4-dioxane | CAS Registry Number: 123-91-1
Synonyms: p-Dioxane, Dioxane, Dioxan, Diethylene ether, 1,4-DIOXANE, Diethylene oxide, Diokan, Di(ethylene oxide), Tetrahydro-p-dioxin, Diethylene dioxide, para-Dioxane, Dioxyethylene ether, 1,4-Diethylene dioxide, Dioxane-1,4, Dioxanne, Glycolethylenether, Dioksan, Glycol ethylene ether, Diox, :dioxane

Molecular Formula: C4H8O2Molecular Weight: 88.105120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RYHBNJHYFVUHQT-UHFFFAOYSA-N

• 1 5-Dibromo Pentane
IUPAC Name: 1,5-dibromopentane | CAS Registry Number: 111-24-0
Synonyms: Pentamethylene bromide, Pentane, 1,5-dibromo-, 1,5-DIBROMOPENTANE, Pentamethylene dibromide, 128007_ALDRICH, NSC 5373, EINECS 203-849-7, CID8100, NSC5373, BRN 1209245, AI3-20307, LS-101616, 4-01-00-00314 (Beilstein Handbook Reference), InChI=1/C5H10Br2/c6-4-2-1-3-5-7/h1-5H

Molecular Formula: C5H10Br2Molecular Weight: 229.940900 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: IBODDUNKEPPBKW-UHFFFAOYSA-N

• 1,2,3-Trimethoxy Benzene
IUPAC Name: 1,2,3-trimethoxybenzene | CAS Registry Number: 634-36-6
Synonyms: Methylsyringol, Tri-O-methylpyrogallol, Pyrogallol trimethyl ether, 1,2,3-TRIMETHOXYBENZENE, Methylsyringol (VAN), Benzene, 1,2,3-trimethoxy-, 137995_ALDRICH, 92159_FLUKA, CID12462, NSC10124, EINECS 211-207-2, NSC 10124, ZINC00152503, AI3-02077, ST5406631, TL8004419

Molecular Formula: C9H12O3Molecular Weight: 168.189780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: CRUILBNAQILVHZ-UHFFFAOYSA-N

• 1,2-Dibromoethane
IUPAC Name: 1,2-dibromoethane | CAS Registry Number: 106-93-4
Synonyms: Ethylene bromide, sym-Dibromoethane, Aadibroom, Bromofume, Sanhyuum, Soilbrom, Soilfume, Celmide, Edabrom, Kopfume, Unifume, Nephis, Nefis, ETHYLENE DIBROMIDE, Glycol Dibromide, Iscobrome D, Fumo-gas, Dibromoethylene, Pestmaster, dibromoet hane

Molecular Formula: C2H4Br2Molecular Weight: 187.861160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: PAAZPARNPHGIKF-UHFFFAOYSA-N

• 1,4-Di(Trifluoromethyl)Benzene
IUPAC Name: 1,4-bis(trifluoromethyl)benzene | CAS Registry Number: 433-19-2
Synonyms: Hexafluoro-p-xylene, 1,4-Bis(trifluoromethyl)benzene, p-Bis(trifluoromethyl)benzene, Benzene, 1,4-bis(trifluoromethyl)-, 290912_ALDRICH, 1,4-Bis(trifluoromethyl)-benzene, NSC61992, EINECS 207-086-0, NSC 61992, B104, ST5307029, TL8003048, p-Xylene, .alpha.,.alpha.,.alpha.,.alpha.',.alpha.',.alpha.'-hexafluoro-, alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-p-xylene, p-Xylene, alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro- (8CI), .alpha.,.alpha.,.alpha.,.alpha.',.alpha.',.alpha.'-Hexafluoro-p-xylene, InChI=1/C8H4F6/c9-7(10,11)5-1-2-6(4-3-5)8(12,13)14/h1-4

Molecular Formula: C8H4F6Molecular Weight: 214.107779 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: PDCBZHHORLHNCZ-UHFFFAOYSA-N

• 17-Beta-Diol
IUPAC Name: (3S,8R,9S,10R,13S,14S,17S)-13-methyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol | CAS Registry Number: 19793-20-5
Synonyms: Estren, DEMETRIC ACID, CID9835303, (3beta,17beta)-estr-4-ene-3,17-diol

Molecular Formula: C18H28O2Molecular Weight: 276.413720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: CMXKUJNZWYTFJN-XFUVECHXSA-N

• 1-Bromo 3 4 5-Trifluoro Benzene
IUPAC Name: 5-bromo-1,2,3-trifluorobenzene | CAS Registry Number: 138526-69-9
Synonyms: 1-Bromo-3,4,5-trifluorobenzene, 5-Bromo-1,2,3-trifluorobenzene, 330841_ALDRICH, JRD-0167, ST5405271, TL8000876, InChI=1/C6H2BrF3/c7-3-1-4(8)6(10)5(9)2-3/h1-2

Molecular Formula: C6H2BrF3Molecular Weight: 210.979290 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: HKJCELUUIFFSIN-UHFFFAOYSA-N

• 1-Bromo-3-(Methylthio)Benzene
IUPAC Name: 1-bromo-2-methylsulfanylbenzene | CAS Registry Number: 33733-73-2
Synonyms: 2-Bromothioanisole, 3-Bromo-thioanisole, o-Bromo(methylthio)benzene, 2-Bromophenyl methyl sulfide, Benzene, 1-bromo-2-(methylthio)-, 260851_ALDRICH, EINECS 243-183-4, SBB006566, TF1047, ZINC00409185, 19614-16-5, InChI=1/C7H7BrS/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H

Molecular Formula: C7H7BrSMolecular Weight: 203.099480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: ALAQDUSTXPEHMH-UHFFFAOYSA-N

• 1-Methylthio-1-Methylamino-2-Nitroethylene
IUPAC Name: (E)-N-methyl-1-methylsulfanyl-2-nitroethenamine | CAS Registry Number: 61832-41-5
Synonyms: Ambap7826, EINECS 263-266-9, Ethenamine, N-methyl-1-(methylthio)-2-nitro-, N-Methyl-1-methylthio-2-nitro-1-etheneamine, N-Methyl-1-(methylthio)-2-nitrovinylamine, 1-Methylamino-1-methylthio-2-nitroethylene, 1-Methylthio-1-methylamino-2-nitroethylene, TL8003953

Molecular Formula: C4H8N2O2SMolecular Weight: 148.183520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: YQFHPXZGXNYYLD-ONEGZZNKSA-N

• 2,3-Dihydroxynaphthalene
IUPAC Name: naphthalene-2,3-diol | CAS Registry Number: 92-44-4
Synonyms: Naphthalene-2,3-diol, 2,3-NAPHTHALENEDIOL, 2,3-Dihydroxynaphthlene, 2,3-Dihydroxynapthalene, Ambap1518, WLN: L66J CQ DQ, NSC 8707, 37760_FLUKA, 37761_FLUKA, CHEBI:38135, EINECS 202-156-7, NSC8707, 2,3-DIHYDROXY-NAPHTHALENE, AIDS042574, AIDS-042574, BRN 0742375, c1009, ZINC00388553, AI3-18148, LS-94571

Molecular Formula: C10H8O2Molecular Weight: 160.169320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: JRNGUTKWMSBIBF-UHFFFAOYSA-N

• 2 4-Dichloro-5-Sulphamoyl Benzoic Acid
IUPAC Name: 2,4-dichloro-5-sulfamoylbenzoic acid | CAS Registry Number: 2736-23-4
Synonyms: LeadQuest Compound 9, 2,4-Dichloro-5-sulfamoylbenzoic acid, Oprea1_168593, Oprea1_483230, 147397_ALDRICH, EINECS 220-358-3, ZERO/002615, 3-Sulfamoyl-4,6-dichlorobenzoic acid, 2,4-Dichloro-5-sulphamoylbenzoic acid, BRN 2219046, 5-(Aminosulfonyl)-2,4-dichlorobenzoic acid, 5-Aminosulfonyl-2,4-dichlorobenzoic acid, 5-Carboxy-2,4-dichlorobenzenesulfonamide, FR-0558, Benzoic acid, 5-(aminosulfonyl)-2,4-dichloro-, LS-36908, TL8002204, BENZOIC ACID, 2,4-DICHLORO-5-SULFAMOYL-, 83162-87-2, InChI=1/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14

Molecular Formula: C7H5Cl2NO4SMolecular Weight: 270.089900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: ZSHHRBYVHTVRFK-UHFFFAOYSA-N

• 2,2-Diethoxyethanol
IUPAC Name: 2,2-diethoxyethanol | CAS Registry Number: 621-63-6
Synonyms: Ethanol, 2,2-diethoxy-, Glycolaldehyde, diethyl acetal, 2,2-DIETHOXYETHANOL, Glycolaldehyde diethyl acetal, NSC9255, EINECS 210-697-5, ZINC01699883

Molecular Formula: C6H14O3Molecular Weight: 134.173560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: IKKUKDZKIIIKJK-UHFFFAOYSA-N

• 2,3,4,5-tetrafluoro phthalic acid
IUPAC Name: 3,4,5,6-tetrafluorophthalic acid | CAS Registry Number: 652-03-9
Synonyms: Tetrafluorophthalic acid, 196800_ALDRICH, IFLab1_001011, 3,4,5,6-Tetrafluorophthalic acid, CID69544, EINECS 211-483-4, 2,3,5,6-Tetrafluoro terephthalic acid, ST5306859, TL8004625, 1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrafluoro-

Molecular Formula: C8H2F4O4Molecular Weight: 238.092693 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: YJLVXRPNNDKMMO-UHFFFAOYSA-N

• 2,3-Dichloropyrazine
IUPAC Name: 2,3-dichloropyrazine | CAS Registry Number: 4858-85-9
Synonyms: Pyrazine, 2,3-dichloro-, 465208_ALDRICH, ZINC02168474, CID78575, EINECS 225-460-1, TL8003267

Molecular Formula: C4H2Cl2N2Molecular Weight: 148.978080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MLCNOCRGSBCAGH-UHFFFAOYSA-N

• 2,4,5-Trichloro Nitrobenzene
IUPAC Name: 1,2,4-trichloro-5-nitrobenzene | CAS Registry Number: 89-69-0
Synonyms: 1,2,4-Trichloro-5-nitrobenzene, 2,4,5-TRICHLORONITROBENZENE, 3,4,6-Trichloronitrobenzene, Benzene, 1,2,4-trichloro-5-nitro-, WLN: WNR BG DG EG, MLS002152857, 5-Nitro-1,2,4-trichlorobenzene, EINECS 201-931-7, NSC 50660, NSC50660, NSC56980, NSC60975, BRN 1959066, ZINC01682071, LS-1898, NCGC00090855-01, SMR001224481, 1-NITRO-2,4,5-TRICHLOROBENZENE, TECH, 4-05-00-00728 (Beilstein Handbook Reference), InChI=1/C6H2Cl3NO2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2

Molecular Formula: C6H2Cl3NO2Molecular Weight: 226.444580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: IBRBMZRLVYKVRF-UHFFFAOYSA-N

• 2,4-Dichlorophenol
IUPAC Name: 2,4-dichlorophenol | CAS Registry Number: 120-83-2
Synonyms: 2,4-DICHLOROPHENOL, 4,6-Dichlorophenol, Phenol, 2,4-dichloro-, Isobac, Ambap1462, Dichlorophenol, 2,4-, RCRA waste no. U081, 2,4-Dichlorohydroxybenzene, RCRA waste number U081, 24-DICHLOROPHENOL, 1-Hydroxy-2,4-dichlorobenzene, C6H4Cl2O, WLN: QR BG DG, 2,4-dichlorophenol sodium, CCRIS 657, 2,4-DCP, NCI-C55345, 2,4-dichlorophenol potassium, HSDB 1139, 48528_SUPELCO

Molecular Formula: C6H4Cl2OMolecular Weight: 163.001360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: HFZWRUODUSTPEG-UHFFFAOYSA-N

• 2,4-Dimethyl Thiophenol
IUPAC Name: 2,4-dimethylbenzenethiol | CAS Registry Number: 13616-82-5
Synonyms: 2,4-Thioxylenol, 2,4-Dimethylthiophenol, 2,4-Xylenethiol, 2,4-Dimethylbenzenethiol, 2,4-Dimethyl thiophenol, Benzenethiol, 2,4-dimethyl-, 2,4-Xylenethiol (8CI), 275441_ALDRICH, NSC202925, CID83617, EINECS 237-100-0, NSC 202925, TL8006745, Y11031

Molecular Formula: C8H10SMolecular Weight: 138.230000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: AMNLXDDJGGTIPL-UHFFFAOYSA-N

• 2,5-Dichlorobenzoic Acid
IUPAC Name: 2,5-dichlorobenzoic acid | CAS Registry Number: 50-79-3
Synonyms: 2,5-DICHLOROBENZOIC ACID, 2,5-Dichlorobenzoate, Benzoic acid, 2,5-dichloro-, WLN: QVR BG EG, DICHLOROBENZOIC ACID, 144940_ALDRICH, 36705_RIEDEL, 35301_FLUKA, EINECS 200-065-7, NSC 41889, BENZOIC ACID,2,5-DICHLORO, NSC41889, BRN 0973353, EINECS 252-788-2, 2,4(Or 2,5)-dichlorobenzoic acid, LS-144, AI3-33415, Benzoic acid, 2,4(or 2,5)-dichloro-, NCGC00091859-01, ST5406566

Molecular Formula: C7H4Cl2O2Molecular Weight: 191.011460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QVTQYSFCFOGITD-UHFFFAOYSA-N

• 2,6-Dimethylphenol
IUPAC Name: 2,6-dimethylphenol | CAS Registry Number: 576-26-1
Synonyms: 2,6-Xylenol, Phenol, 2,6-dimethyl-, Vic-m-xylenol, 2,6-DIMETHYLPHENOL, 2,6-Dimethyl phenol, vic.-m-Xylenol, Xylenol 235, Phenol, dimethyl-, 2-Hydroxy-m-xylene, Dimethylphenol, 2,6-, 2,6-Dmp, Ambap5776, 1-Hydroxy-2,6-dimethylbenzene, FEMA No. 3249, 2-Hydroxy-1,3-dimethylbenzene, HSDB 5697, D174904_ALDRICH, D175005_ALDRICH, W324906_ALDRICH, WLN: QR B1 F1

Molecular Formula: C8H10OMolecular Weight: 122.164400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: NXXYKOUNUYWIHA-UHFFFAOYSA-N

• 2-Acetyl-6-Methoxy Naphthalene
IUPAC Name: 1-(6-methoxynaphthalen-2-yl)ethanone | CAS Registry Number: 3900-45-6
Synonyms: 2-Acetyl-6-methoxynaphthalene, NCIOpen2_002197, 6'-Methoxy-2'-acetonaphthone, 399019_ALDRICH, 1-(6-Methoxy-2-naphthyl)ethanone, EINECS 223-453-8, NSC105564, ZINC00164714, 1-(6-Methoxy-2-naphthyl)ethan-1-one, Ethanone, 1-(6-methoxy-2-naphthalenyl)-, ST5319415, TL8002824

Molecular Formula: C13H12O2Molecular Weight: 200.233180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: GGWCZBGAIGGTDA-UHFFFAOYSA-N

• 2-Amino Benzonitrile
IUPAC Name: 2-aminobenzonitrile | CAS Registry Number: 1885-29-6
Synonyms: Anthranilonitrile, 2-Aminobenzonitrile, 2-Cyanoaniline, o-Cyanoaniline, Benzonitrile, 2-amino-, o-Aminobenzonitrile, A89901_ALDRICH, 07001_FLUKA, EINECS 217-549-9, AIDS020234, BB_SC-4521, AIDS-020234, BRN 0907187, ZINC00157544, LS-20596, TL8001530, 4-14-00-01013 (Beilstein Handbook Reference), InChI=1/C7H6N2/c8-5-6-3-1-2-4-7(6)9/h1-4H,9H, 6944-57-6

Molecular Formula: C7H6N2Molecular Weight: 118.135940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: HLCPWBZNUKCSBN-UHFFFAOYSA-N

• 2-Aminothiazole
IUPAC Name: 1,3-thiazol-2-amine | CAS Registry Number: 96-50-4
Synonyms: aminothiazole, 2-Thiazolamine, Abadole, Basedol, Abadol, 2-AMINOTHIAZOLE, 2-Thiazylamine, 2-Thiazolylamine, 2-Aminothiazol, Thiazole, 2-amino-, 4-Thiazolin-2-onimine, Aminothiazole [INN], Aminotiazolo [DCIT], sFtHLPDISNmLp@, 1,3-Thiazol-2-amine, Aminothiazole (INN), Spectrum_000085, Aminothiazol [INN-French], Aminotiazol [INN-Spanish], Aminothiazolum [INN-Latin]

Molecular Formula: C3H4N2SMolecular Weight: 100.142260 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: RAIPHJJURHTUIC-UHFFFAOYSA-N

• 2-Amino-3-Hydroxypyridine
IUPAC Name: 2-aminopyridin-3-ol | CAS Registry Number: 16867-03-1
Synonyms: 2-Amino-3-pyridinol, 2-Amino-3-pyridol, 2-AMINO-3-HYDROXYPYRIDINE, 2-Aminopyridin-3-ol, 3-Hydroxy-2-pyridinamine, 3-Pyridinol, 2-amino, 3-Pyridinol, 2-amino-, 122513_ALDRICH, 08208_FLUKA, NSC136806, BB_SC-1724, CID28114, EINECS 240-886-8, NSC 136806, 3-Pyridinol, 2-amino- (8CI)(9CI), A179, AI3-61061, TL8001306

Molecular Formula: C5H6N2OMolecular Weight: 110.113940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: BMTSZVZQNMNPCT-UHFFFAOYSA-N

• 2-Amino-6-Nitrobenzothiazole
IUPAC Name: 6-nitro-1,3-benzothiazol-2-amine | CAS Registry Number: 6285-57-0
Synonyms: 2-Benzothiazolamine, 6-nitro-, 6-Nitrobenzothiazol-2-amine, 6-Nitro-2-aminobenzothiazole, 2-AMINO-6-NITROBENZOTHIAZOLE, Maybridge1_005516, 6-Nitro-2-benzothiazolamine, Benzothiazole, 2-amino-6-nitro-, CCRIS 1391, NCIOpen2_000006, NCIOpen2_000201, DivK1c_001804, 190241_ALDRICH, 6-Nitro-1,3-benzothiazol-2-amine, EINECS 228-513-7, NSC 10794, NSC 62341, NSC 62980, NSC10794, NSC62341, NSC62980

Molecular Formula: C7H5N3O2SMolecular Weight: 195.198500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: GPNAVOJCQIEKQF-UHFFFAOYSA-N

• 2-Mercapto-3-Butanol
IUPAC Name: 3-sulfanylbutan-2-ol | CAS Registry Number: 37887-04-0
Synonyms: 2-Mercapto-3-butanol, 3-Mercapto-2-butanol, 2-Hydroxy-3-butanethiol, 3-Hydroxy-2-butanethiol, 2-Butanol, 3-mercapto-, W350206_ALDRICH, FEMA No. 3502, 264792_ALDRICH, (R*,S*)-3-Mercaptobutan-2-ol, EINECS 253-701-0, 2-Butanol, 3-mercapto-, (theta,S)-, 3-Mercapto-2-butanol, mixture of isomers, LS-179775, 54812-86-1

Molecular Formula: C4H10OSMolecular Weight: 106.186600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: MJQWABQELVFQJL-UHFFFAOYSA-N

• 2-Chloro-5-Nitroaniline
IUPAC Name: 2-chloro-5-nitroaniline | CAS Registry Number: 6283-25-6
Synonyms: 6-Chloro-3-nitroaniline, Aniline, 2-chloro-5-nitro-, Benzenamine, 2-chloro-5-nitro-, 2-CHLORO-5-NITROANILINE, 2-Chloro-5-nitrobenzenamine, WLN: ZR BG ENW, Aniline, 6-chloro-3-nitro-, C58150_ALDRICH, HSDB 6086, NSC7791, NSC 7791, EINECS 228-498-7, 2-Amino-1-chloro-4-nitrobenzene, CID22691, BRN 2208878, SBB003829, ZINC01688375, LS-19666, 3-12-00-01661 (Beilstein Handbook Reference), InChI=1/C6H5ClN2O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,8H

Molecular Formula: C6H5ClN2O2Molecular Weight: 172.569100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KWIXNFOTNVKIGM-UHFFFAOYSA-N

• 1,8-Diamino Naphthalene
IUPAC Name: naphthalene-1,8-diamine | CAS Registry Number: 479-27-6
Synonyms: 1,8-Naphthalenediamine, Naphthalene-1,8-diamine, 1,8-Diaminonaphthalene, 1,8-Naphthylenediamine, D21405_ALDRICH, NSC 6081, 33170_FLUKA, 33180_FLUKA, EINECS 207-529-8, NSC6081, ZINC00388487, 1,8-NAPHTHYLENEDIAMINE, TECH, AI3-03804, LS-167531, InChI=1/C10H10N2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6H,11-12H

Molecular Formula: C10H10N2Molecular Weight: 158.199800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: YFOOEYJGMMJJLS-UHFFFAOYSA-N

• (R)-(+)-4-Hydroxy-2-Pyrrolidinone
IUPAC Name: (4R)-4-hydroxypyrrolidin-2-one | CAS Registry Number: 22677-21-0
Synonyms: 479160_ALDRICH, (R)-beta-Hydroxy-gamma-butyrolactam, (R)-()-4-Hydroxy-2-pyrrolidinone, (R)-(+)-4-Hydroxy-2-pyrrolidinone, TL8001902

Molecular Formula: C4H7NO2Molecular Weight: 101.103880 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: IOGISYQVOGVIEU-GSVOUGTGSA-N

• 1-AdamantaneCarboxylic acid
IUPAC Name: adamantane-1-carboxylic acid | CAS Registry Number: 828-51-3
Synonyms: Adamantoic acid, 1-Carboxyadamantane, 1-Adamantanecarboxylic acid, Adamantanecarboxylic acid, Adamantane-1-carboxylic acid, Enamine_000586, Adamantane-2-carboxylic acid, Oprea1_849468, 106399_ALDRICH, 3-ADAMANTANECARBOXYLIC ACID, 01823_FLUKA, EINECS 212-584-6, NSC 94182, 1-Adamantanecarboxylic acid (8CI), CID13235, NSC94182, SBB015170, AI3-52431, LS-14967, Tricyclo(3.3.1.1'3,7)decane-1-carboxylic acid

Molecular Formula: C11H16O2Molecular Weight: 180.243540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: JIMXXGFJRDUSRO-UHFFFAOYSA-N

• 2,6-Dimethyl Pyrazine
IUPAC Name: 2,6-dimethylpyrazine | CAS Registry Number: 108-50-9
Synonyms: 2,6-Dimethylpiazine, 3,5-Dimethylpyrazine, 2,6-DIMETHYLPYRAZINE, Pyrazine, 2,6-dimethyl-, 2,6-Dimethylparadiazine, 2,6-Dimethyl-1,4-diazine, FEMA No. 3273, CCRIS 2930, 2,6-Dimethylpyrazine (natural), D181803_ALDRICH, W327301_ALDRICH, EINECS 203-589-4, ZINC00404377, LS-2695, InChI=1/C6H8N2/c1-5-3-7-4-6(2)8-5/h3-4H,1-2H

Molecular Formula: C6H8N2Molecular Weight: 108.141120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: HJFZAYHYIWGLNL-UHFFFAOYSA-N

• 2-(1-Naphthyl) Acetamide
IUPAC Name: 2-naphthalen-1-ylacetamide | CAS Registry Number: 86-86-2
Synonyms: Rootone, Frufix, Amid-Thin, Dirigol N, 1-Naphthylacetamide, Amid-Thin W, NAAm, Fruitone, Rosetone, Naamide, alpha-NAA amide, Naphthaleneacetamide, 1-NAPHTHALENEACETAMIDE, alpha-Naphthylacetamide, Caswell No. 588, Naphthalene acetamide, 1-Naphthalene acetamide, 2-(1-Naphthyl)acetamide, 1-Naphthyl-acetamide, alpha-Naphthaleneacetamide

Molecular Formula: C12H11NOMolecular Weight: 185.221840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: XFNJVKMNNVCYEK-UHFFFAOYSA-N


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