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• Quinestrol
IUPAC Name: (8R,9S,13S,14S,17R)-3-cyclopentyloxy-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol | CAS Registry Number: 152-43-2
Synonyms: QUINESTROL, Estrovis, Estrovister, Plestrovis, Eston, Qui-Lea, Quinestrolo [DCIT], EECPE, Estrovis 4000, Estrovis (TN), Quinestrolum [INN-Latin], Quinestrol (USAN/INN), MLS000069756, MLS001077287, E7887_SIGMA, Estradiol-17-beta 3-cyclopentyl ether, Quinestrol [USAN:BAN:INN], Quinestrol [USAN:INN:BAN], CHEBI:8716, EINECS 205-803-1

Molecular Formula: C25H32O2Molecular Weight: 364.520380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: PWZUUYSISTUNDW-VAFBSOEGSA-N

• Quinolinic Anhydride
IUPAC Name: furo[3,4-b]pyridine-5,7-dione | CAS Registry Number: 699-98-9
Synonyms: Quinolinic anhydride, 2,3-Pyridinedicarboxylic anhydride, Furo[3,4-b]pyridine-5,7-dione, P64405_ALDRICH, Pyridine-2,3-dicarboxylic anhydride, AIDS189642, Furo(3,4-b)pyridine-5,7-dione, AIDS-189642, NSC44309, EINECS 211-834-1, NSC 44309, ZINC08100881, EC-000.1421, 2,3-Pyridinedicarboxylic anhydride treated BSA, AC-907/25014149, 2,3-Pyridinedicarboxylic anhydride treated bovine serum albumin

Molecular Formula: C7H3NO3Molecular Weight: 149.103620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: MCQOWYALZVKMAR-UHFFFAOYSA-N

• R-4-Benzyl-2-oxazolidinone
IUPAC Name: (4R)-4-(phenylmethyl)-1,3-oxazolidin-2-one | CAS Registry Number: 102029-44-7
Synonyms: MLS001242802, (R)-4-Benzyl-2-oxazolidinone, ZINC04284392, CID2734969, SMR000841429, TL806371, ST5405530

Molecular Formula: C10H11NO2Molecular Weight: 177.199840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: OJOFMLDBXPDXLQ-SECBINFHSA-N

• R-4-Isopropyl-2-oxazolidinone
IUPAC Name: (4R)-4-propan-2-yl-1,3-oxazolidin-2-one | CAS Registry Number: 95530-58-8
Synonyms: 339946_ALDRICH, 59658_FLUKA, (R)-4-Isopropyl-2-oxazolidinone, 4-Isopropyl-1,3-oxazolidin-2-one, ZINC02539403, (R)-()-4-Isopropyl-2-oxazolidinone, 2-oxazolidinone, 4-(1-methylethyl)-, InChI=1/C6H11NO2/c1-4(2)5-3-9-6(8)7-5/h4-5H,3H2,1-2H3,(H,7,8

Molecular Formula: C6H11NO2Molecular Weight: 129.157040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YBUPWRYTXGAWJX-YFKPBYRVSA-N

• R-4-Phenyl-2-oxazolidinone
IUPAC Name: (4R)-4-phenyl-1,3-oxazolidin-2-one | CAS Registry Number: 90319-52-1
Synonyms: 402451_ALDRICH, ZINC00143125, (R)-(-)-4-Phenyl-2-oxazolidinone, TL8005811, (R)-(−)-4-Phenyl-2-oxazolidinone, A00134

Molecular Formula: C9H9NO2Molecular Weight: 163.173260 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QDMNNMIOWVJVLY-QMMMGPOBSA-N

• R-Phenylglycinol (R-2-amino-2-phenylethanol)
IUPAC Name: 2-amino-2-phenylethanol | CAS Registry Number: 56613-80-0
Synonyms: beta-Aminophenethyl alcohol, Benzeneethanol, beta-amino-, 2-Amino-2-phenylethanol, ChemDiv2_003373, (R)-(-)-2-Phenylglycinol, Phenethyl alcohol, beta-amino-, d(-)-.alpha.-Phenylglycinol, (R)-beta-Aminophenethyl alcohol, alpha-Phenyl-alpha-amino-beta-oxyethane, Benzeneethanol, .beta.-amino-, (R)-, EINECS 260-287-5, NSC617248, NCI60_005172, LS-103052, 7568-92-5

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

InChIKey: IJXJGQCXFSSHNL-UHFFFAOYSA-N

• S(-)-3-Hydroxy-Y-Butyrolactone
IUPAC Name: (5S)-5-hydroxyoxolan-2-one | CAS Registry Number: 7331-52-4
Synonyms: ZINC04262540, CID2733691

Molecular Formula: C4H6O3Molecular Weight: 102.088640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FYNVARJNCVQAAI-VKHMYHEASA-N

• S-(-)-Propylenediamine Dihydrochloride
IUPAC Name: (2S)-propane-1,2-diamine;dihydrochloride | CAS Registry Number: 19777-66-3
Synonyms: (S)-(-)-1,2-Diaminopropane dihydrochloride, (S)-Propane-1,2-diamine dihydrochloride, (S)-1,2-Diaminopropane Dihydrochloride, (S)-1,2-Propanediamine dihydrochloride, PubChem15232, KSC174S8R, 412562_ALDRICH, (S)-1,2-Diaminopropane 2HCl, CTK0H4988, MolPort-003-932-228, ACT04807, (S)-Propylenediamine Dihydrochloride, ANW-23770, S-(-)-propylenediaminedihydrochloride, AKOS007930112, AKOS015894250, AG-E-44411, RP21112, (S)-PROPANE-1,2-DIAMINE 2HCL, (S)-(-)-Propylenediamine dihydrochloride

Molecular Formula: C3H12Cl2N2Molecular Weight: 147.046780 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 2

InChIKey: AEIAMRMQKCPGJR-QTNFYWBSSA-N

• S-4-Isopropyl-2-oxazolidinone
IUPAC Name: (4S)-4-propan-2-yl-1,3-oxazolidin-2-one | CAS Registry Number: 17016-83-0
Synonyms: 298883_ALDRICH, 59660_FLUKA, ZINC04262265, (4S)-(-)-4-Isopropyl-2-oxazolidinone, TL8001333, (S)-(−)-4-Isopropyl-2-oxazolidinone

Molecular Formula: C6H11NO2Molecular Weight: 129.157040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YBUPWRYTXGAWJX-RXMQYKEDSA-N

• S-4-Phenyl-2-oxazolidinone
IUPAC Name: (4S)-4-phenyl-1,3-oxazolidin-2-one | CAS Registry Number: 99395-88-7
Synonyms: 376698_ALDRICH, 78875_FLUKA, (S)-()-4-Phenyl-2-oxazolidinone, ZINC00143123, (S)-(+)-4-Phenyl-2-oxazolidinone, TL8006065, A00133, InChI=1/C9H9NO2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,11

Molecular Formula: C9H9NO2Molecular Weight: 163.173260 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QDMNNMIOWVJVLY-MRVPVSSYSA-N

• Silane Coupling Agents
IUPAC Name: 3-chloropropyl(triethoxy)silane | CAS Registry Number: 5089-70-3
Synonyms: (3-Chloropropyl)triethoxysilane, Silane, (3-chloropropyl)triethoxy-, 569615_ALDRICH, Triethoxy(gamma-chloropropyl)silane, EINECS 225-805-6, (3-chloropropyl)(triethoxy)silane, NSC 252156, NSC252156, Triethoxy(.gamma.-chloropropyl)silane, LS-195362

Molecular Formula: C9H21ClO3SiMolecular Weight: 240.799740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: KSCAZPYHLGGNPZ-UHFFFAOYSA-N

• Sulpho Tobias Acid (Iso-C-Acid)
IUPAC Name: 2-aminonaphthalene-1,5-disulfonic acid | CAS Registry Number: 117-62-4
Synonyms: Tobias acid, 5-sulfo-, Kyselina sulfo-tobiaova, Kyselina sulfo-tobiasova [Czech], NCIOpen2_007981, 2-Naphthylamine-1,5-disulfonic acid, CBDivE_015383, 2-Amino-1,5-naphthalenedisulfonic acid, 70760_FLUKA, EINECS 204-201-6, CID8338, WLN: L66J BSWQ CZ GSWQ, NSC 60279, NSC60279, BRN 2888645, 2-Aminonaphthalene-1,5-disulphonic acid, 2-Amino-1,5-naphthalene disulfonic acid, l,5-Naphthalenedisulfonic acid, 2-amino-, AI3-52456, Kyselina 2-naftylamin-1,5-disulfonova, 2-Aminonaphthalene-1,5-disulfonic acid

Molecular Formula: C10H9NO6S2Molecular Weight: 303.311560 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: YAIKCRUPEVOINQ-UHFFFAOYSA-N

• Thiophene-2.5-Dicarboxylic Acid
IUPAC Name: thiophene-2,5-dicarboxylic acid | CAS Registry Number: 4282-31-9
Synonyms: 2,5-Dicarboxythiophene, 2,5-Thiophenedicarboxylic acid, Maybridge4_002021, 405191_ALDRICH, NSC81789, EINECS 224-284-2, THIOPHENE-2,5-DICARBOXYLIC ACID, NSC 81789, SBB015817, BAS 00336887

Molecular Formula: C6H4O4SMolecular Weight: 172.158560 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: YCGAZNXXGKTASZ-UHFFFAOYSA-N

• Thiotriazinone
IUPAC Name: 2-methyl-3-sulfanylidene-1,2,4-triazinane-5,6-dione | CAS Registry Number: 58909-39-0
Synonyms: 549746_ALDRICH, ZINC02556294, EINECS 261-490-1, CID3034640, Tetrahydro-2-methyl-3-thioxo-1,2,4-triazine-5,6-dione

Molecular Formula: C4H5N3O2SMolecular Weight: 159.166400 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: UMWWHOXOVPIGFD-UHFFFAOYSA-N

• Tobias Acid;2-Naphthylamine-5-Sulfonic Acid;Tobias Acid
IUPAC Name: 6-aminonaphthalene-1-sulfonic acid | CAS Registry Number: 81-05-0
Synonyms: Gycolan Green BFL, Dahl's Acid, 2-Naphthylamine-5-sulfonic acid, 6-Amino-1-naphthalenesulfonic acid, MolPort-000-151-171, CID66470, 6-Aminonaphthalene-1-sulphonic acid, EINECS 201-318-4, 1-Naphthalenesulfonic acid, 6-amino-, A0347

Molecular Formula: C10H9NO3SMolecular Weight: 223.248360 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: YUNBHHWDQDGWHC-UHFFFAOYSA-N

• Triacetoneamine
IUPAC Name: 2,2,6,6-tetramethylpiperidin-4-one | CAS Registry Number: 826-36-8
Synonyms: Triacetonamin, Triacetonamine, Vincubina, Vincubine, Triacetone amine, Tempidon, TMPone, 2,2,6,6-Tetramethyl-4-piperidone, Trojacetonoaminy [Polish], 2,2,6,6-Tetramethyl-4-piperidinone, Oprea1_386573, 2,2,6,6-Tetramethylpiperidone, C9H17NO, 4-Piperidinone, 2,2,6,6-tetramethyl-, 2,2,6,6-Tetramethylpiperidinone, 459119_ALDRICH, 2,2,6,6-Tetramethyl-4-oxopiperidine, EINECS 212-554-2, NSC 16579, AIDS018618

Molecular Formula: C9H17NOMolecular Weight: 155.237380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: JWUXJYZVKZKLTJ-UHFFFAOYSA-N

• Triacetoneamine Alcohol
IUPAC Name: 2,2,6,6-tetramethylpiperidin-4-ol | CAS Registry Number: 2403-88-5
Synonyms: Lastar A, 2,2,6,6-Tetramethyl-4-piperidinol, 4-Piperidinol, 2,2,6,6-tetramethyl-, 115746_ALDRICH, 2,2,6,6-Tetramethylpiperidin-4-ol, EINECS 219-291-2, NSC 16575, 2,2,6,6-Tetramethyl-4-hydroxypiperidine, CID75471, NSC16575, 4-Hydroxy-2,2,6,6-tetramethylpiperidine, LS-195331, ST5307990, InChI=1/C9H19NO/c1-8(2)5-7(11)6-9(3,4)10-8/h7,10-11H,5-6H2,1-4H, 119030-52-3, 95368-80-2

Molecular Formula: C9H19NOMolecular Weight: 157.253260 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: VDVUCLWJZJHFAV-UHFFFAOYSA-N

• Triamino-6-Hydroxypyrimidine Sulfate, 2,4,5-
IUPAC Name: sulfuric acid; 2,5,6-triamino-1H-pyrimidin-4-one | CAS Registry Number: 35011-47-3
Synonyms: 17376_FLUKA, NSC167378, CID296856, 2,5,6-Triamino-4-pyrimidol sulfate, 2,5,6-Triamino-4-pyrimidol sulfate salt, ST5411704, 4-Hydroxy-2,5,6-triaminopyrimidine sulfate salt, 2-HYDROXY-4,5,6-TRIAMINOPYRIMIDINE SULFATE, 4(1H)-Pyrimidinone, 2,5,6-triamino-, sulfate (1:1), 1603-02-7

Molecular Formula: C4H9N5O5SMolecular Weight: 239.209760 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 9

InChIKey: RSKNEEODWFLVFF-UHFFFAOYSA-N

• Trichloro Acetamide
IUPAC Name: 2,2,2-trichloroacetamide | CAS Registry Number: 594-65-0
Synonyms: Trichloroacetamide, 2,2,2-Trichloroacetamide, sNyLGQDJHtQdTaeTp@, WLN: ZVXGGG, Acetamide, alpha-trichloro-, ACETAMIDE, 2,2,2-TRICHLORO-, Acetamide, .alpha.-trichloro-, 217344_ALDRICH, 91070_FLUKA, EINECS 209-849-3, Amid kyseliny trichloroctove [Czech], NSC 16599, NSC16599, BRN 1754028, .alpha.,.alpha.,.alpha.-Trichloroacetamide, ZINC03846891, AI3-15484, LS-10291, 4-02-00-00520 (Beilstein Handbook Reference)

Molecular Formula: C2H2Cl3NOMolecular Weight: 162.402380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: UPQQXPKAYZYUKO-UHFFFAOYSA-N

• Trichlorotrifluoroethane (R113, R113A)
IUPAC Name: 1,1,1-trichloro-2,2,2-trifluoroethane | CAS Registry Number: 354-58-5
Synonyms: Freon FT, Fluorocarbon 113, Arcton 63, Trichlorotrifluoroethane, Precision cleaning agent, CFC 113a, FC 113a, FC 133a, 1,1,1-Trichlorotrifluoroethane, 1,1,1-Trifluorotrichloroethane, F 113a, HSDB 6501, T-WD602, Ethane, 1,1,1-trichloro-2,2,2-trifluoro-, EINECS 206-564-6, CID9635, BRN 1699455, EINECS 247-758-0, 1,1,1-TRICHLORO-2,2,2-TRIFLUOROETHANE, LS-1228

Molecular Formula: C2Cl3F3Molecular Weight: 187.375610 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: BOSAWIQFTJIYIS-UHFFFAOYSA-N

• Triclosan
IUPAC Name: 5-chloro-2-(2,4-dichlorophenoxy)phenol | CAS Registry Number: 3380-34-5
Synonyms: triclosan, Irgasan, Cloxifenolum, Cliniclean, Tersaseptic, Aquasept, Manusept, Sapoderm, Trisan, pHisoHex, Microshield T, Oxy Skin Wash, Stri-Dex Face Wash, Irgasan DP300, Stri-Dex Cleansing Bar, Triclosan; Irgasan, Irgasan DP 300, Caswell No. 186A, Lexol 300, COLGATE TOTAL

Molecular Formula: C12H7Cl3O2Molecular Weight: 289.541780 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: XEFQLINVKFYRCS-UHFFFAOYSA-N

• Trihydroxyethyl Isocyanurate(THEIC)
IUPAC Name: 1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione | CAS Registry Number: 839-90-7
Synonyms: Theic, Tris(hydroxyethyl) cyanurate, Tris(2-hydroxyethyl)cyanurate, CCRIS 6113, Tris(2-hydroxyethyl) isocyanurate, Oprea1_852228, HSDB 6135, Tris(hydroxyethyl) isocyanurate, 309001_ALDRICH, Tris(2-hydroxyethyl)isocyanurate, EINECS 212-660-9, Tris(beta-hydroxyethyl) isocyanurate, NSC 11680, NSC11680, N,N',N''-Tris(2-hydroxyethyl)isocyanurate, ZINC01718500, 1,3,5-Tris(2-hydroxyethyl)isocyanuric acid, AI3-60291, LS-1833, Tris(.beta.-hydroxyethyl) isocyanurate

Molecular Formula: C9H15N3O6Molecular Weight: 261.231900 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: BPXVHIRIPLPOPT-UHFFFAOYSA-N

• Trimellitic Anhydride
IUPAC Name: 1,3-dioxo-2-benzofuran-5-carboxylic acid | CAS Registry Number: 552-30-7
Synonyms: Anhydrotrimellic acid, Trimellitic acid anhydride, TRIMELLITIC ANHYDRIDE, Anhydrotrimellitic acid, Trimellic acid anhydride, TMAN, tri-mellitic anhydride, 4-Carboxyphthalic anhydride, Epon 9150, Trimellic acid 1,2-anhydride, Anhydride-ethomid ht polymer, Trimellitic acid 1,2-anhydride, B4600_ALDRICH, CCRIS 6282, NCI-C56633, HSDB 4299, WLN: T56 BVOVJ GVQ, 1,3-Dioxo-5-phthalancarboxylic acid, Trimellitic anhydride-dendrimers, 92120_FLUKA

Molecular Formula: C9H4O5Molecular Weight: 192.125060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: SRPWOOOHEPICQU-UHFFFAOYSA-N

• Tris(Hydroxymethyl)Aminomethane
IUPAC Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol | CAS Registry Number: 77-86-1
Synonyms: Trometamol, TROMETHAMINE, Tris, Tris(Hydroxymethyl)aminomethane, Tham, Trisamine, 2-Amino-2-(hydroxymethyl)-1,3-propanediol, 2-Amino-2-(hydroxymethyl)propane-1,3-diol, Trizma, Tris buffer, Tris base, Trisaminol, Tromethane, Pehanorm, Talatrol, Trisamin, Trispuffer, Tutofusin tris, Apiroserum Tham, Tris-steril

Molecular Formula: C4H11NO3Molecular Weight: 121.140 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 4

InChIKey: LENZDBCJOHFCAS-UHFFFAOYSA-N

• Z-Lys(Boc)-OH
IUPAC Name: (4S)-4-(phenylmethyl)-1,3-oxazolidin-2-one | CAS Registry Number: 90719-32-7
Synonyms: (S)-4-Benzyl-2-oxazolidinone, 294640_ALDRICH, 13616_FLUKA, CID736225, ZINC00156419, ZINC04284392, SB 02020, TL8005821, InChI=1/C10H11NO2/c12-10-11-9(7-13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12

Molecular Formula: C10H11NO2Molecular Weight: 177.199840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: OJOFMLDBXPDXLQ-VIFPVBQESA-N

• 2,2'-Diamino diphenyl disulfide
IUPAC Name: 2-(2-aminophenyl)disulfanylaniline | CAS Registry Number: 1141-88-4
Synonyms: Intramine, 2,2'-Dithiodianiline, Aniline, 2,2'-dithiodi-, 2-Aminophenyl disulfide, o,o-Dithio-bis-aniline, Benzenamine, 2,2'-dithiobis-, Bis(2-aminophenyl) disulfide, Bis(o-aminophenyl) disulfide, 2,2'-Diaminodiphenyl disulfide, 2,2'-Dithiobis(aniline), USAF AB-315, Bis(2-aminophenyl)disulfide, o,o'-Diaminodiphenyl disulfide, Disulfide, bis(2-aminophenyl), o,o-Dithio-bis(aniline), WLN: ZR BSSR BZ, 2,2'-Diaminodiphenyldisulfide, Disulfide, bis(o-aminophenyl)-, o,o'-Diamino diphenyl disulfide, ANILINE, 2,2'-DITHIOBIS-

Molecular Formula: C12H12N2S2Molecular Weight: 248.367080 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: YYYOQURZQWIILK-UHFFFAOYSA-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

• 2-Chloro-1,4-diaminobenzene Sulphate
IUPAC Name: 2-chlorobenzene-1,4-diamine; sulfuric acid | CAS Registry Number: 61702-44-1
Synonyms: Fourrine SO, renal brown so, Renal SO, Fourrine 81, 2-Cl-p-PD, C.I. Oxidation Base 13A, CCRIS 145, 2-Chloro-p-phenylenediamine sulfate, 3-Chloro-4-aminoaniline sulfate, HSDB 6247, NCI-C03316, 2-Chloro-p-phenylenediamine SO4, 24240_FLUKA, EINECS 228-291-1, EINECS 262-915-3, 2-Chloro p-phenylenediamine sulphate, 2-chlorobenzene-1,4-diamine sulfate, 2-Chloro-1,4-phenylenediamine sulfate, CID22584, p-Phenylenediamine, 2-chloro-, sulfate

Molecular Formula: C6H9ClN2O4SMolecular Weight: 240.664660 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: GQFGHCRXPLROOF-UHFFFAOYSA-N

• 1,4-Cyclohexandione
IUPAC Name: cyclohexane-1,4-dione | CAS Registry Number: 637-88-7
Synonyms: 1,4-Cyclohexanedione, TETRAHYDROQUINONE, 1,4-Dioxocyclohexane, Cyclohexane-1,4-dione, 125423_ALDRICH, 29070_FLUKA, CHEBI:28286, NSC7192, NSC 7192, EINECS 211-306-0, c0554, STK335618, ZINC03860985, FR-2390, AI3-22410, TL8004488, C08063, InChI=1/C6H8O2/c7-5-1-2-6(8)4-3-5/h1-4H

Molecular Formula: C6H8O2Molecular Weight: 112.126520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DCZFGQYXRKMVFG-UHFFFAOYSA-N

• 2-Bromo-5-nitroanisole
IUPAC Name: 1-bromo-2-methoxy-4-nitrobenzene | CAS Registry Number: 77337-82-7
Synonyms: Ambap7724, 2-Bromo-5-nitroanisol, 4-Bromo-3-methoxynitrobenzene, 1-Bromo-2-methoxy-4-nitrobenzene, EINECS 278-669-5, NSC405572, ZINC01598621, Benzene, 1-bromo-2-methoxy-4-nitro-, ST5405659, TL800742060, AE-641/00638021

Molecular Formula: C7H6BrNO3Molecular Weight: 232.031440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: NTKADLOYTKVXQN-UHFFFAOYSA-N

• 1,4,5,8-Tetrahydroxyanthraquinone
IUPAC Name: 1,4,5,8-tetrahydroxyanthracene-9,10-dione | CAS Registry Number: 81-60-7
Synonyms: 1,4,5,8-Leucotetraoxyanthraquinone, 1,4,5,8-Ltoa [Russian], CBDivE_015328, 1,4,5,8-Ltoa, 1,4,5,8-Tetrahydroxyanthrachinon, CHEBI:37479, EINECS 201-365-0, NSC 401144, ANTHRAQUINONE, 1,4,5,8-TETRAHYDROXY-, BRN 2154564, NSC401144, STK238461, ZINC03875542, 9,10-Anthracenedione, 1,4,5,8-tetrahydroxy-, 1,4,5,8-Tetrahydroxyanthrachinon [Czech], LS-20712, 1,4,5,8-tetrahydroxy-9,10-anthraquinone, 1,4,5,8-tetrahydroxyanthra-9,10-quinone, WLN: L C666 BV IVJ DQ GQ KQ NQ, 1,4,5,8-tetrahydroxy-9,10-anthracenedione

Molecular Formula: C14H8O6Molecular Weight: 272.209720 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: SOGCSKLTQHBFLP-UHFFFAOYSA-N

• 2-Chloro Methyl-3,5-dimethyl-4-methoxy Pyridine Hydrochloride
IUPAC Name: 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine;hydrochloride | CAS Registry Number: 86604-75-3
Synonyms: 2-(Chloromethyl)-4-methoxy-3,5-dimethylpyridine Hydrochloride, 2-CHLOROMETHYL-3,5-DIMETHYL-4-METHOXYPYRIDINE HYDROCHLORIDE, 2-Chloromethyl-4-methoxy-3,5-dimethylpyridine hydrochloride, 2-Chloromethyl-4-methoxy-3,5-dimethylpyridinehydrochloride, 2-Chloromethyl-3,5-dimethyl-4 methoxypyridine hydrochloride, PubChem2236, PubChem20754, ACMC-209qam, AC1Q3BYM, SureCN311423, AGN-PC-00EA0Q, KSC491E6H, 535508_ALDRICH, CTK3J1263, MolPort-001-800-895, ACT01332, AB2770, ANW-38348, AKOS005258306, AC-1882

Molecular Formula: C9H13Cl2NOMolecular Weight: 222.111620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LCJDHJOUOJSJGS-UHFFFAOYSA-N

• (S)-Tetrahydro-2-Furic Acid
• (S)-4-Hydroxypyrrolidinone
• 2 - Chloro-P-Phenylenediamine
IUPAC Name: 2-chlorobenzene-1,4-diamine; sulfuric acid | CAS Registry Number: 615-66-7
Synonyms: Fourrine SO, renal brown so, Renal SO, Fourrine 81, 2-Cl-p-PD, C.I. Oxidation Base 13A, CCRIS 145, 2-Chloro-p-phenylenediamine sulfate, 3-Chloro-4-aminoaniline sulfate, HSDB 6247, NCI-C03316, 2-Chloro-p-phenylenediamine SO4, 24240_FLUKA, EINECS 228-291-1, EINECS 262-915-3, 2-Chloro p-phenylenediamine sulphate, 2-chlorobenzene-1,4-diamine sulfate, 2-Chloro-1,4-phenylenediamine sulfate, CID22584, p-Phenylenediamine, 2-chloro-, sulfate

Molecular Formula: C6H9ClN2O4SMolecular Weight: 240.664660 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: GQFGHCRXPLROOF-UHFFFAOYSA-N

• 2-Methoxy-6-methylpyrazine
IUPAC Name: 2-methoxy-3-methylpyrazine | CAS Registry Number: 2882-21-5
Synonyms: (Methoxy)methylpyrazine, 2-METHOXY-3-METHYLPYRAZINE, Pyrazine, 2-methoxy-3-methyl-, 2-Methyl-3-methoxypyrazine, 5-Methoxy-3-methylpyrazine, W318302_ALDRICH, FEMA No. 3183, 297941_ALDRICH, Pyrazine, 2-methoxy-6-methyl-, 2-Methoxy-3(or5)-methylpyrazine, EINECS 220-651-6, EINECS 220-737-3, EINECS 269-881-9, ZINC00405269, Pyrazine, 2-methoxy-3(or 5)-methyl-, ST5411503, 2- (5 or 6)-Methoxy-3-methylpyrazine (mixture of isomers), 2847-30-5, 63450-30-6, 68378-13-2

Molecular Formula: C6H8N2OMolecular Weight: 124.140520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: VKJIAEQRKBQLLA-UHFFFAOYSA-N

• 2,4,4'-Trihydroxybenzophenone
IUPAC Name: (2,4-dihydroxyphenyl)-(4-hydroxyphenyl)methanone | CAS Registry Number: 1470-79-7
Synonyms: Oprea1_062728, T65706_ALDRICH, MLS000776962, Benzophenone, 2,4,4'-trihydroxy-, NSC76052, EINECS 216-004-2, BB_SC-2720, CID73852, STK801744, ZINC00037292, METHANONE, (2,4-DIHYDROXYPHENYL)(4-HYDROXYPHENYL)-, SMR000413359, 2,4-Dihydroxyphenyl p-hydroxybenzyl ketone, LS-183710, EU-0000155, (2,4-Dihydroxyphenyl)(4-hydroxyphenyl)methanone, (2,4-Dihydroxy-phenyl)-(4-hydroxy-phenyl)-methanone

Molecular Formula: C13H10O4Molecular Weight: 230.216100 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: OKJFKPFBSPZTAH-UHFFFAOYSA-N

• 2,4,6-Triisopropylphenylacetic Acid
IUPAC Name: 2-[2,4,6-tri(propan-2-yl)phenyl]acetic acid | CAS Registry Number: 4276-85-1
Synonyms: 2,4,6-TRIISOPROPYLPHENYLACETIC ACID, SureCN8137246, CTK4I6587, AG-F-51836

Molecular Formula: C17H26O2Molecular Weight: 262.387140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GDFWAOXUDPFOLI-UHFFFAOYSA-N

• 2-Ethylhexyl Diphenyl Phosphate
IUPAC Name: 2-ethylhexyl diphenyl phosphate | CAS Registry Number: 1241-94-7
Synonyms: Octicizer, Santicizer 141, Octicizer (USAN), Octicizer [USAN], 2-Ethylhexyl diphenyl phosphate, Octyl diphenyl phosphate, 2-Ethylhexyldiphenylphosphate, 2-Ethylhexyl diphenylphosphate, CCRIS 6199, HSDB 370, Diphenyl 2-ethylhexyl phosphate, (2-Ethylhexyl)-difenylfosfat, Ethylhexyl diphenyl phosphate, 2-, 34064_RIEDEL, Phosphoric acid, 2-ethylhexyl diphenyl ester, 34064_FLUKA, EINECS 214-987-2, (2-Ethylhexyl)-difenylfosfat [Czech], DIPHENYL-2-ETHYLHEXYL PHOSPHATE, CID14716

Molecular Formula: C20H27O4PMolecular Weight: 362.399741 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: CGSLYBDCEGBZCG-UHFFFAOYSA-N

• 1,4-Butynediol
IUPAC Name: but-2-yne-1,4-diol | CAS Registry Number: 110-65-6
Synonyms: 2-Butyne-1,4-diol, Butynediol, 2-Butynediol, Agrisynth B3D, But-2-yne-1,4-diol, Bis(hydroxymethyl)acetylene, 1,4-Dihydroxy-2-butyne, 1,4-BUTYNEDIOL, 1,4-Dimethoxyacetylene, 1,4-Butynediol (VAN), Butynediol-1,4 [French], 1,4-Butinodiol [Spanish], WLN: Q2UU2Q, 2-Butin-1,4-diol [Czech], 2-BUTYNE-14-DIOL, HSDB 2004, B103209_ALDRICH, NSC 834, NSC834, 19190_FLUKA

Molecular Formula: C4H6O2Molecular Weight: 86.089240 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: DLDJFQGPPSQZKI-UHFFFAOYSA-N

• 1-2(-Hydroxy Ethyl) Piperazine
IUPAC Name: 2-piperazin-1-ylethanol | CAS Registry Number: 103-76-4
Synonyms: 2-Piperazinoethanol, 1-Piperazinethanol, Hydroxyethylpiperazine, 1-PIPERAZINEETHANOL, 2-Hydroxyethylpiperazine, 2-Piperazin-1-ylethanol, 1-(2-Hydroxyethyl)piperazine, Piperazine-1-ethanol, 2-(1-Piperazinyl)ethanol, USAF DO-22, N-(2-Hydroxyethyl)piperazine, 4-(2-Hydroxyethyl)piperazine, Ethanol, 2-(1-piperazinyl)-, (.beta.-Hydroxyethyl)piperazine, N-(Hydroxyethyl)piperazine, CCRIS 6687, N-(beta-Hydroxyethyl)piperazine, 1-(beta-Hydroxyethyl)piperazine, H28807_ALDRICH, WLN: T6M DNTJ D2Q

Molecular Formula: C6H14N2OMolecular Weight: 130.188160 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: WFCSWCVEJLETKA-UHFFFAOYSA-N

• 1-Bromo-3-Methyl-2-Butene
IUPAC Name: 1-bromo-3-methylbut-2-ene | CAS Registry Number: 870-63-3
Synonyms: Prenyl bromide, Dimethylallyl bromide, 2-Butene, 1-bromo-3-methyl-, 3,3-Dimethylallyl bromide, 1-Bromo-3-methyl-2-butene, 1-Bromo-3-methylbut-2-ene, 249904_ALDRICH, 274372_ALDRICH, .gamma.,.gamma.-Dimethylallyl bromide, NChemBio.2007.20-comp24, CID70092, EINECS 212-799-5

Molecular Formula: C5H9BrMolecular Weight: 149.028960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: LOYZVRIHVZEDMW-UHFFFAOYSA-N

• 1-Methyl-4-Nitro-5-Chloro Imidazole
IUPAC Name: 5-chloro-1-methyl-4-nitroimidazole | CAS Registry Number: 4897-25-0
Synonyms: PCMNI, Imidazole, 5-chloro-1-methyl-4-nitro-, MLS001049362, 367532_ALDRICH, 1H-Imidazole, 5-chloro-1-methyl-4-nitro-, 1-Methyl-5-chloro-4-nitroimidazole, EINECS 225-521-2, TOS-BB-0124, ZERO/005727, NSC7852, CID21010, 5-CHLORO-1-METHYL-4-NITROIMIDAZOLE, BRN 0136775, ZINC01081474, 5-Chloro-1-methyl-4-nitro-1H-imidazole, AI3-51948, LS-78292, SMR000427350, S 50154-9, 5-23-04-00493 (Beilstein Handbook Reference)

Molecular Formula: C4H4ClN3O2Molecular Weight: 161.546460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: OSJUNMSWBBOTQU-UHFFFAOYSA-N

• 2-(3-Amino-4-Chlorobenyzoyl)-Benzoic Acid
IUPAC Name: 2-(3-amino-4-chlorobenzoyl)benzoic acid | CAS Registry Number: 118-04-7
Synonyms: Oprea1_159790, NSC74496, CID67037, EINECS 204-230-4, NSC 74496, o-(3-Amino-4-chlorobenzoyl)benzoic acid, Benzoic acid, 2-(3-amino-4-chlorobenzoyl)-, Benzoic acid, o-(3-amino-4-chlorobenzoyl)-, 2-(3-Amino-4-chlorobenzoyl)benzoic acid, 2-(3-Amino-4-chloro-benzoyl)benzoic acid, ST5146741, TL8000498, Benzoic acid, o-(3-amino-4-chlorobenzoyl)- (8CI)

Molecular Formula: C14H10ClNO3Molecular Weight: 275.687100 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: MQECGSWGDQIHHD-UHFFFAOYSA-N

• 2,2-Dibromo-2-Cyanoacetamide
IUPAC Name: 2,2-dibromo-2-cyanoacetamide | CAS Registry Number: 10222-01-2
Synonyms: Dbnpa, Dibromocyanoacetamide, XD-7287l Antimicrobial, Caswell No. 287AA, NCIOpen2_006184, 2,2-Dibromo-3-nitrilopropionamide, 2,2-DIBROMO-2-CYANOACETAMIDE, Acetamide, 2,2-dibromo-2-cyano-, HSDB 6982, Dibromocyano acetic acid amide, 2,2-Dibromo-2-carbamoylacetonitrile, 540978_ALDRICH, Acetamide, 2-cyano-2,2-dibromo-, XD 7287L, EINECS 233-539-7, XD-1603, NSC 98283, EPA Pesticide Chemical Code 101801, CID25059, NSC98283

Molecular Formula: C3H2Br2N2OMolecular Weight: 241.868780 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: UUIVKBHZENILKB-UHFFFAOYSA-N

• 2,3,4,4'-Tetrahydroxy Benzophenone
IUPAC Name: (4-hydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone | CAS Registry Number: 31127-54-5
Synonyms: 2,3,4,4'-Tetrahydroxybenzophenone, 2,3,4,4'-Tetrahydroxy benzophenone, (4-hydroxyphenyl)(2,3,4-trihydroxyphenyl)methanone, 311127-54-5, ZINC00507420, PubChem3404, AC1LJAAF, ACMC-1AJ2Q, AGN-PC-0D6W7V, DSSTox_CID_27932, DSSTox_RID_82685, DSSTox_GSID_47956, Oprea1_408626, KSC566I1H, Jsp005828, STOCK2S-11493, CTK4G6413, MolPort-002-560-214, GenBank AZ674294 (9CI), ACT07575

Molecular Formula: C13H10O5Molecular Weight: 246.215500 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: ZRDYULMDEGRWRC-UHFFFAOYSA-N


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