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• D-2-Methylbutyric Acid
IUPAC Name: (2S)-2-methylbutanoic acid | CAS Registry Number: 1730-91-2
Synonyms: 2-Methylbutanoic acid, (S)-2-methylbutyric acid, Butanoic acid, 2-methyl-, (S)-2-methylbutanoic acid, (2S)-2-methylbutanoic acid, 245526_ALDRICH, (S)-()-2-Methylbutyric acid, CHEBI:38655, InChI=1/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7, SMB, 116-53-0

Molecular Formula: C5H10O2Molecular Weight: 102.131700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WLAMNBDJUVNPJU-BYPYZUCNSA-N

• D-Mannitol Diacetonide
IUPAC Name: (1S,2S)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol | CAS Registry Number: 1707-77-3
Synonyms: D-Mannitol diacetonide, Diisopropylidene mannitol, 296406_ALDRICH, 38410_FLUKA, CID96011, EINECS 216-954-8, ZINC04521410, 1,2:5,6-Di-O-isopropylidene-D-mannitol, ST5408125, 1,2-5,6-DI-0-ISOPROPYLIDENE-D-MANNITOL

Molecular Formula: C12H22O6Molecular Weight: 262.299480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: ODYBCPSCYHAGHA-ZYUZMQFOSA-N

• d-Neomenthol
IUPAC Name: (1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol | CAS Registry Number: 2216-52-6
Synonyms: (+)-Neomenthol, Isomenthol, ()-Neomenthol, MENTHOL, (+/-)-Neomenthol, bmse000498, 2-Isopropyl-5-methylcyclohexanol, W266604_ALDRICH, 235180_ALDRICH, 72134_FLUKA, 72135_FLUKA, 72136_FLUKA, CHEBI:15402, (1S,2S,5R)-(+)-Neomenthol, CPD-1905, CID439263, ZINC04228277, LMPR0102090003, Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1S,2S,5R)-2-Isopropyl-5-methylcyclohexanol

Molecular Formula: C10H20OMolecular Weight: 156.265200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: NOOLISFMXDJSKH-UTLUCORTSA-N

• Decyl bromide
IUPAC Name: 1-bromodecane | CAS Registry Number: 112-29-8
Synonyms: n-Decyl bromide, Decane, 1-bromo-, 1-Decyl bromide, 1-BROMODECANE, 145785_ALDRICH, NSC 8780, EINECS 203-955-3, NSC8780, SBB008838, AI3-28586, LS-59281

Molecular Formula: C10H21BrMolecular Weight: 221.177740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: MYMSJFSOOQERIO-UHFFFAOYSA-N

• Deferiprone
IUPAC Name: 3-hydroxy-1,2-dimethylpyridin-4-one | CAS Registry Number: 30652-11-0
Synonyms: deferiprone, Ferriprox, Deferum, Kelfer, Hdpp, Hdmpp cpd, L1 oral chelate, Ferriprox (TN), Deferiprone (INN), DMHP, DMOHPO, CP20, Deferiprone [BAN:INN], CP20 (Chelating agent), Chiesi brand of deferiprone, MLS000069481, MLS000758227, 1,2-Dimethyl-3-hydroxypyrid-4-one, 3-Hydroxy-1,2-dimethyl-4(1H)-pyridone, 379409_ALDRICH

Molecular Formula: C7H9NO2Molecular Weight: 139.151860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: TZXKOCQBRNJULO-UHFFFAOYSA-N

• DHBP
IUPAC Name: (2,4-dihydroxyphenyl)-phenylmethanone | CAS Registry Number: 131-56-6
Synonyms: Benzoresorcinol, Resbenzophenone, Benzophenone-1, Inhibitor DHBP, Advastab 48, Uvistat 12, 4-Benzoyl resorcinol, Uvinol 400, Uvinul 400, Quinsorb 010, Syntase 100, Eastman Inhibitor DHPB, Dastib 263, DHBP cpd, 4-Benzoylresorcinol, Benzophenone, 2,4-dihydroxy-, 2,4-DIHYDROXYBENZOPHENONE, Enamine_001926, UF 1, USAF DO-28

Molecular Formula: C13H10O3Molecular Weight: 214.216700 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: ZXDDPOHVAMWLBH-UHFFFAOYSA-N

• DHQ
IUPAC Name: 1,4-dihydroquinoxaline-2,3-dione | CAS Registry Number: 15804-19-0
Synonyms: Quinoxaline-2,3-diol, 2,3-QUINOXALINEDIOL, 2,3-Dihydroxyquinoxaline, 1,4-Dihydro-2,3-quinoxalinedione, Quinoxaline, 2,3-dihydroxy-, USAF EK-6232, 2,3(1H,4H)-Quinoxalinedione, 2,3-Quinoxalinedione, 1,4-dihydro-, MLS000681641, 144789_ALDRICH, ARONIS014393, 2,3-DIHYDROXYGUINOXALINE, NSC 8698, EINECS 239-901-0, NSC8698, NSC9431, WLN: T66 BN ENJ CQ DQ, AIDS019740, AIDS-019740, SBB000138

Molecular Formula: C8H6N2O2Molecular Weight: 162.145440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: ABJFBJGGLJVMAQ-UHFFFAOYSA-N

• Diacetoneglucose
IUPAC Name: (3aR,5S,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol | CAS Registry Number: 582-52-5
Synonyms: ZINC03956910, CID7067560, 1,2,4,6-DIACETONE-D-GLUCOSE

Molecular Formula: C12H20O6Molecular Weight: 260.283600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: KEJGAYKWRDILTF-JDDHQFAOSA-N

• Dibenzoylmethane
IUPAC Name: 1,3-di(phenyl)propane-1,3-dione | CAS Registry Number: 120-46-7
Synonyms: Rhodiastab 83, Karenzu DK2, 2-Benzoylacetophenone, Dibenzoyl-methane, Phenyl phenacyl ketone, omega-Benzoylacetophenone, 1,3-Propanedione, 1,3-diphenyl-, Spectrum2_000038, Spectrum3_001950, .omega.-Benzoylacetophenone, 1,3-DIPHENYL-1,3-PROPANEDIONE, 1,3-Diphenylpropane-1,3-dione, BSPBio_003550, D33454_ALDRICH, SPECTRUM1505311, SPBio_000135, NSC 6266, EINECS 204-398-9, KBio3_002841, CID8433

Molecular Formula: C15H12O2Molecular Weight: 224.254580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: NZZIMKJIVMHWJC-UHFFFAOYSA-N

• Dibenzyl Ketone
IUPAC Name: 1,3-di(phenyl)propan-2-one | CAS Registry Number: 102-04-5
Synonyms: Benzyl ketone, 1,3-Diphenylacetone, DIBENZYL KETONE, 1,3-Diphenylpropanone, 1,3-Diphenyl-2-propanone, 2-Propanone, 1,3-diphenyl-, alpha,alpha'-Diphenylacetone, unsym-DIPHENYLACETONE, FEMA No. 2397, .alpha.,.alpha.'-Diphenylacetone, D204609_ALDRICH, W239704_ALDRICH, 33790_FLUKA, EINECS 203-000-0, NSC4577, NSC 220312, NSC220312, NSC407392, ZINC01679978, AI3-05001

Molecular Formula: C15H14OMolecular Weight: 210.271060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: YFKBXYGUSOXJGS-UHFFFAOYSA-N

• Diethyl Amino Ethanol
IUPAC Name: 2-(diethylamino)ethanol | CAS Registry Number: 100-37-8
Synonyms: (Diethylamino)ethanol, Diethylethanolamine, 2-(Diethylamino)ethanol, N,N-Diethylethanolamine, DEAE, 2-Diethylaminoethanol, Diethylamino ethanol, Pennad 150, 2-Hydroxytriethylamine, N,N-Diethyl-2-aminoethanol, N-Diethylaminoethanol, Diethylmonoethanolamine, beta-Hydroxytriethylamine, Diaethylaminoaethanol, DIETHYLAMINOETHANOL, Ethanol, 2-(diethylamino)-, beta-Diethylaminoethanol, 2-N-Diethylaminoethanol, Diethyl(2-hydroxyethyl)amine, N,N-Diethylmonoethanolamine

Molecular Formula: C6H15NOMolecular Weight: 117.189400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: BFSVOASYOCHEOV-UHFFFAOYSA-N

• Diethylaminoethyl Chloride HCL
IUPAC Name: 2-chloro-N,N-diethylethanamine hydrochloride | CAS Registry Number: 869-24-9
Synonyms: 2-Chlorotriethylamine hydrochloride, D87201_ALDRICH, HSDB 5765, 2-Chlorotriethylaminehydrochloride, Diethylaminoethyl chloride hydrochloride, NSC 2059, WLN: G2N2&2 &GH, 31820_FLUKA, EINECS 212-786-4, 2-Chloroethyldiethylammonium chloride, NSC2059, Triethylamine, 2-chloro-, hydrochloride, N-(2-Chloroethyl)-N,N-diethylamine, (2-Chloroethyl)diethylamine hydrochloride, 2-Chloro-N,N-diethylethylamine hydrochloride, beta-Chloroethyldiethylamine hydrochloride, N,N-Diethylaminoethyl chloride hydrochloride, (2-Chloroethyl)diethylamine monohydrochloride, (2-Chlorotriethyl)amine hydrochloride, 2-Chloro-N,N-diethylethanamine hydrochloride

Molecular Formula: C6H15Cl2NMolecular Weight: 172.096000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: RAGSWDIQBBZLLL-UHFFFAOYSA-N

• Dihydrocoumarin
IUPAC Name: 3,4-dihydrochromen-2-one | CAS Registry Number: 119-84-6
Synonyms: hydrocoumarin, dihydrocoumarin, melilotin, melilotol, 2-chromanone, 3,4-dihydrocoumarin, Benzodihydropyrone, Melilotine, melilotic lactone, Meliotine, Oxochroman, chroman-2-one, 1,2-benzodihydropyrone, Chroman, 2-oxo-, Dihydrobenzopyrone, hydrocoumar in, Usaf do-12, Benzopyranone, dihydro-, Melilotic acid lactone, 3,4-Dyhydrocoumarin

Molecular Formula: C9H8O2Molecular Weight: 148.158620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: VMUXSMXIQBNMGZ-UHFFFAOYSA-N

• Diisobutylene
IUPAC Name: 2,4,4-trimethylpent-1-ene | CAS Registry Number: 107-39-1
Synonyms: Diisobutene, alpha-Diisobutylene, 1-Pentene, 2,4,4-trimethyl-, 2,2,4-Trimethyl-4-pentene, 2,4,4-Trimethylpent-1-ene, Pentene, 2,4,4-trimethyl-, 1-Methyl-1-neopentylethylene, 2,4,4-TRIMETHYL-1-PENTENE, T78409_ALDRICH, 2,4,4-TRIMETHYLPENTENE, HSDB 1442, 443018_ALDRICH, CCRIS 9103, 38180_FLUKA, EINECS 203-486-4, EINECS 246-690-9, CID7868, NSC8701, NSC 73942, UN2050

Molecular Formula: C8H16Molecular Weight: 112.212640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: FXNDIJDIPNCZQJ-UHFFFAOYSA-N

• Dimercaprol
IUPAC Name: 2,3-bis(sulfanyl)propan-1-ol | CAS Registry Number: 59-52-9
Synonyms: Dithioglycerine, DIMERCAPROL, Sulfactin, Dicaptol, Dimersol, Antoxol, Panobal, dimercaptopropanol, Dithioglycerol, Dimercaptol, British antilewisite, Dimercaprol propanol, 2,3-Dimercapto-1-propanol, BAL in Oil, Usaf me-1, 1,2-Dithioglycerol, 2,3-Dithiopropanol, Sulfactin (VAN), British Anti-Lewisite, Dimerkaprol [Czech]

Molecular Formula: C3H8OS2Molecular Weight: 124.225020 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: WQABCVAJNWAXTE-UHFFFAOYSA-N

• Dimethyl Hexynediol
IUPAC Name: 2,5-dimethylhex-3-yne-2,5-diol | CAS Registry Number: 142-30-3
Synonyms: Dimethylhexynediol, Acetylenepinacol, Kemitracin-50, Olfine Y, Tetramethylbutynediol, Tetramethyl-2-butynediol, 3-Hexyne-2,5-diol, 2,5-dimethyl-, 2,5-Dimethylhexyne-2,5-diol, HSDB 5639, D 43, 2,5-DIMETHYL-3-HEXYNE-2,5-DIOL, 222623_ALDRICH, D 43 (VAN), EINECS 205-533-4, ZERO/001274, NSC8340, AIDS017555, NSC 117261, 2,5-dimethylhex-3-yne-2,5-diol, AIDS-017555

Molecular Formula: C8H14O2Molecular Weight: 142.195560 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: IHJUECRFYCQBMW-UHFFFAOYSA-N

• Dinitro Toluene
IUPAC Name: 1-methyl-2,4-dinitrobenzene | CAS Registry Number: 121-14-2
Synonyms: 2,4-DINITROTOLUENE, 2,4-Dinitrotoluol, Dinitrotoluol, 1-Methyl-2,4-dinitrobenzene, DINITROTOLUENE, Toluene, 2,4-dinitro-, 2,4-Dinitromethylbenzene, 2,4-DNT, nchembio882-comp9, Benzene, 1-methyl-2,4-dinitro-, Benzene, methyldinitro-, Dinitrotoluene, 2,4-, RCRA waste no. U105, RCRA waste number U105, 2,4-Dinitro-1-methylbenzene, CCRIS 268, 4-Methyl-1,3-dinitrobenzene, WLN: WNR B1 ENW, NCI-C01865, CHEBI:920

Molecular Formula: C7H6N2O4Molecular Weight: 182.133540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: RMBFBMJGBANMMK-UHFFFAOYSA-N

• Dipentene
IUPAC Name: 1-methyl-4-prop-1-en-2-ylcyclohexene | CAS Registry Number: 138-86-3
Synonyms: Cajeputene, Kautschin, LIMONENE, D-Limonene, DL-Limonene, Dipenten, Eulimen, Cinene, Nesol, Cajeputen, Limonen, Cinen, Polydipentene, Polylimonene, Dipanol, Unitene, Inactive limonene, alpha-Limonene, beta-Limonene, Flavor orange

Molecular Formula: C10H16Molecular Weight: 136.234040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: XMGQYMWWDOXHJM-UHFFFAOYSA-N

• Diphenylcarbazide
IUPAC Name: 1,3-bis(anilino)urea | CAS Registry Number: 140-22-7
Synonyms: 1,5-Diphenylcarbazide, Diphenyl carbazide, 1,5-Diphenylcarbohydrazide, 2,5-Diphenylcarbazide, N,N'-Diphenylcarbazide, 1,5-Diphenylcabohydrazide, 2,2'-Diphenylcarbazide, Carbohydrazide, 1,5-diphenyl-, sym.-Diphenylcarbazide, SYM-DIPHENYLCARBAZIDE, DPC (VAN), 1,5-Diphenylcarbonohydrazide, 1,5-Diphenylcarbohydrazine, Carbonic dihydrazide, 2,2'-diphenyl-, 2,2'-Diphenylcarbonic dihydrazide, CBDivE_014231, D7766_SIGMA, 33152_RIEDEL, NSC 5058, 42860_FLUKA

Molecular Formula: C13H14N4OMolecular Weight: 242.276460 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 3

InChIKey: KSPIHGBHKVISFI-UHFFFAOYSA-N

• DL-Methyldopa
IUPAC Name: 2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid | CAS Registry Number: 555-29-3
Synonyms: methyldopa, Alphamethyldopa, Dopamethyperpax, Methoplain, Presolisin, Aldometil, Baypresol, Grospisk, Medopren, Metholes, Mulfasin, Presinol, Sedometil, Sembrina, Aldomet, Aldomin, Becanta, Dopamet, Dopatec, Dopegyt

Molecular Formula: C10H13NO4Molecular Weight: 211.214520 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: CJCSPKMFHVPWAR-UHFFFAOYSA-N

• Dodap
IUPAC Name: [3-(dimethylamino)-2-octadec-9-enoyloxypropyl] octadec-9-enoate | CAS Registry Number: 127512-29-2
Synonyms: 9-Octadecenoic acid(9Z)-, 1,1'-[1-[(dimethylamino)methyl]-1,2-ethanediyl] ester, 1,2-DIOLEOYLOXY-3-(DIMETHYLAMINO)PROPANE, ACMC-20msh4, AC1N5LU6, CTK4B5633, AG-D-57278, [3-(dimethylamino)-2-octadec-9-enoyloxypropyl] octadec-9-enoate, 9-Octadecenoicacid (9Z)-, 1-[(dimethylamino)methyl]-1,2-ethanediyl ester (9CI);9-Octadecenoic acid (Z)-, 1-[(dimethylamino)methyl]-1,2-ethanediyl ester;1,2-Di(oleoyloxy)-3-(dimethylamino)propane; DODAP

Molecular Formula: C41H77NO4Molecular Weight: 648.054380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: NYDLOCKCVISJKK-UHFFFAOYSA-N

• DPPC
IUPAC Name: [(2R)-2,3-di(hexadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate | CAS Registry Number: 63-89-8
Synonyms: Exosurf, Colfosceril palmitate, diPalmitoylphosphatidylcholine, MLS000028586, AIDS001261, Colfosceril palmitate (USAN/INN), AIDS-001261, CID452110, LMGP01010564, 1,2-DIPALMITOYLPHOSPHATIDYLCHOLINE, SMR000058951, 1,2-Dipalmitoyl-sn-glycero-3-phosphocholine, D03585, 3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxohexadecyl)oxy]-, inner salt, 4-(oxide), labeled with 18O, (R)- (Unspecified 18O labeled)

Molecular Formula: C40H80NO8PMolecular Weight: 734.038861 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: KILNVBDSWZSGLL-KXQOOQHDSA-N

• Edaravone
IUPAC Name: 5-methyl-2-phenyl-4H-pyrazol-3-one | CAS Registry Number: 89-25-8
Synonyms: edaravone, Norphenazone, Radicut, Norantipyrine, Developer Z, edarabone, Methylphenylpyrazolone, Phenylmethylpyrazolone, C.I. Developer 1, CI Developer 1, Phenyl methyl pyrazolone, Radicut (TN), 1-Phenyl-3-methyl-5-pyrazolone, 1-Phenyl-3-methylpyrazolone, Spectrum_000267, Tocris-0786, MCI-186, Edaravone (JAN/INN), 3-Methyl-1-phenyl-5-pyrazolone, Maybridge1_005738

Molecular Formula: C10H10N2OMolecular Weight: 174.199200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: QELUYTUMUWHWMC-UHFFFAOYSA-N

• Estradiol (cypionate)
IUPAC Name: [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 3-cyclopentylpropanoate | CAS Registry Number: 313-06-4
Synonyms: Depoestradiol, Depoestra, Depofemin, Estradep, Estrapo, estradiol cypionate, Depo-Estradiol, depGynogen, Pertradiol, Estro-Depo, Dep-Estro, Femogen CYP, Depo-Testadiol, Depestro, Lunelle, Neoginon Depositum, Mixture Name, Estradiol 17-cypionate, Depoestradiol cypionate, E. Ionate P.A.

Molecular Formula: C26H36O3Molecular Weight: 396.562240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: UOACKFBJUYNSLK-XRKIENNPSA-N

• Estradiol Enanthate
IUPAC Name: [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] heptanoate | CAS Registry Number: 4956-37-0
Synonyms: ESTRADIOL ENANTHATE, Estradiol 17-heptanoate, Estradiol enanthate (USAN), Estradiol enanthate [USAN], CID21070, EINECS 225-599-8, SQ 16,150, D04064, Estra-1,3,5(10)-triene-3,17beta-diol 17-heptanoate, (17beta)-3-hydroxyestra-1(10),2,4-trien-17-yl heptanoate, Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-heptanoate

Molecular Formula: C25H36O3Molecular Weight: 384.551540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: RFWTZQAOOLFXAY-BZDYCCQFSA-N

• Ethanedisulfonic Acid
IUPAC Name: ethane-1,2-disulfonate | CAS Registry Number: 110-04-3
Synonyms: ethanedisulfonate, ethane-1,2-disulfonate, ZINC03812991, CPD-10431, CID3647008, EDS

Molecular Formula: C2H4O6S2-2Molecular Weight: 188.179560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: AFAXGSQYZLGZPG-UHFFFAOYSA-L

• Ethanolamines
IUPAC Name: 2-aminoethanol | CAS Registry Number: 141-43-5
Synonyms: Ethanolamine, monoethanolamine, 2-aminoethanol, colamine, Aminoethanol, Glycinol, Ethylolamine, Olamine, 2-Hydroxyethylamine, Ethanol, 2-amino-, beta-Aminoethanol, 2-Amino-1-ethanol, 2-Hydroxyethanamine, beta-Hydroxyethylamine, Thiofaco M-50, 2-Ethanolamine, beta-ethanolamine, beta-Aminoethyl alcohol, 2-Aminoethyl alcohol, MEA (alcohol)

Molecular Formula: C2H7NOMolecular Weight: 61.083080 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: HZAXFHJVJLSVMW-UHFFFAOYSA-N

• Ethyl (triphenylphosphoranylidene) acetate
IUPAC Name: ethyl 2-tri(phenyl)phosphoranylideneacetate | CAS Registry Number: 1099-45-2
Synonyms: C5106_ALDRICH, (Carbethoxymethylene)triphenylphosphorane, Ethyl (triphenylphosphoranylidene)acetate, 02595_FLUKA, Triphenylcarbethoxymethylenephosphorane, Carbethoxytriphenylphosphonium methylide, Carbethoxymethylidenetriphenylphosphorane, NSC72406, Carboethoxymethylidenetriphenylphosphorane, EINECS 214-151-7, Ethyl (triphenylphosphoranilidene)acetate, NSC 72406, NSC167159, Ethyl (triphenylphosphoranyliden)acetate, Acetic acid, (triphenylphosphoranylidene)-, ethyl ester, (Ethoxycarbonylmethylene)triphenylphosphorane, ST5406274, ((Ethoxycarbonyl)methylene)triphenylphosphorane, [(Ethoxycarbonyl)methylene]triphenylphosphorane, ((Ethoxycarbonyl)ethylidene)triphenylphosphorane

Molecular Formula: C22H21O2PMolecular Weight: 348.374701 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: IIHPVYJPDKJYOU-UHFFFAOYSA-N

• Ethyl Cellosolve
IUPAC Name: 2-ethoxyethanol | CAS Registry Number: 110-80-5
Synonyms: 2-Ethoxyethanol, Cellosolve, Oxitol, Emkanol, Hydroxy ether, Ethyl cellosolve, Ethanol, 2-ethoxy-, Solvulose, Solvid, Dowanol EE, beta-Ethoxyethanol, Cellosolve solvent, Ethyl glycol, Plastiazan 60, Ektasolve EE, Jeffersol EE, Poly-Solv EE, Ethylethylene glycol, Dowanol 8, Celosolv [Czech]

Molecular Formula: C4H10O2Molecular Weight: 90.121000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZNQVEEAIQZEUHB-UHFFFAOYSA-N

• Ethylene Cyanohydrin
IUPAC Name: 3-hydroxypropanenitrile | CAS Registry Number: 109-78-4
Synonyms: Hydracrylonitrile, 2-Cyanoethanol, 3-Hydroxypropanenitrile, Glycol cyanohydrin, 3-Hydroxypropionitrile, beta-Hpn, Methanolacetonitrile, Cyanoethanol, beta-Cyanoethanol, Hydroxypropanenitrile, 2-Hydroxycyanoethane, beta-Hpn3, Propanenitrile, 3-hydroxy-, 2-Cyanoethyl alcohol, ETHYLENE CYANOHYDRIN, 2-Hydroxyethyl cyanide, .beta.-Cyanoethanol, .beta.-Hpn3, 3-Hydroxypropiononitrile, beta-Hydroxypropionitrile

Molecular Formula: C3H5NOMolecular Weight: 71.077900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WSGYTJNNHPZFKR-UHFFFAOYSA-N

• Ethylene Phosphorochloridite(2-Chloro-1,3,2-Dioxaphospholane)
IUPAC Name: 2-chloro-1,3,2-dioxaphospholane | CAS Registry Number: 822-39-9
Synonyms: Ethylene chlorophosphite, 2-Chloro-1,3,2-dioxaphospholane, Ethylene cycl-chlorophosphite, 391220_ALDRICH, 24478_FLUKA, CID69973, EINECS 212-499-4, 1,3,2-Dioxaphospholane, 2-chloro-, InChI=1/C2H4ClO2P/c3-6-4-1-2-5-6/h1-2H, 103613-07-6

Molecular Formula: C2H4ClO2PMolecular Weight: 126.478721 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: OLSFRDLMFAOSIA-UHFFFAOYSA-N

• Fasudil
IUPAC Name: 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | CAS Registry Number: 103745-39-7
Synonyms: Eril, Fasudil [INN], 2esm, 2gni, Fasudil hydrochloride, Fasudilum [INN-Latin], Tocris-0541, 1q8w, BiomolKI_000038, BiomolKI2_000046, Fasudil (HA-1077), ha-1077, BSPBio_001111, KBioGR_000451, KBioSS_000451, AT 877, HA1077, C14H17N3O2S, HA 1077, KBio2_000451

Molecular Formula: C14H17N3O2SMolecular Weight: 291.368680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: NGOGFTYYXHNFQH-UHFFFAOYSA-N

• Floxuridine
IUPAC Name: 5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione | CAS Registry Number: 50-91-9
Synonyms: floxuridine, Floxuridin, Fluorodeoxyuridine, FdUrd, Deoxyfluorouridine, FUDR, 5-Fluorodeoxyuridine, 5 Fluorodeoxyuridine, 2'-Deoxy-5-fluorouridine, 5-FdUrd, Fluoruridine deoxyribose, 5-Fluoro-dUrd, 5FdU, FDUR, Floxuridinum [INN-Latin], 5-Fluoro-2'-deoxyuridine, Floxiridina [INN-Spanish], 5-Fluoro-2-desoxyuridine, Floxuridine [USAN:INN], 5-FUDR

Molecular Formula: C9H11FN2O5Molecular Weight: 246.192443 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: ODKNJVUHOIMIIZ-RRKCRQDMSA-N

• Fluoronaphthalene
IUPAC Name: 1-fluoronaphthalene | CAS Registry Number: 321-38-0
Synonyms: Naphthalene, 1-fluoro-, 1-FLUORONAPHTHALENE, alpha-Fluoronaphthalene, .alpha.-Fluoronaphthalene, 1-Fluornaftalen [Czech], WLN: L66J BF, 196657_ALDRICH, 442266_SUPELCO, NSC 4690, EINECS 206-287-0, NSC4690, JRD-1263, BRN 1906413, LS-94702, TL8002443, 4-05-00-01657 (Beilstein Handbook Reference), InChI=1/C10H7F/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7

Molecular Formula: C10H7FMolecular Weight: 146.160983 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: CWLKTJOTWITYSI-UHFFFAOYSA-N

• Gibbs reagent
IUPAC Name: 2,6-dichloro-4-chloroiminocyclohexa-2,5-dien-1-one | CAS Registry Number: 101-38-2
Synonyms: Gibb's reagent, 2,6-Dichloroquinonechloroimine, 2,6-Dichloroquinone chloroimide, 2,6-Dichloroquinone-4-chloroimide, 2,6-Dichloroquinone-4-chloroimine, N,2,6-Trichlorobenzoquinone imine, p-Benzoquinone imine, N,2,6-trichloro-, D6511_SIGMA, N,2,6-Trichloro-p-benzoquinonimine, 2,6-Dichloro-4-N-chloroquinonimine, 2,6-Dichlorobenzoquinone chloroimide, NSC 6293, 35620_FLUKA, EINECS 202-937-2, CID7556, NSC6293, WLN: L6V DYJ BG DUNG FG, N,2,6-Trichloro-4-benzoquinone imine, N,2,6-Trichloro-p-benzoquinone imine, BRN 2364249

Molecular Formula: C6H2Cl3NOMolecular Weight: 210.445180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: YHUMTHWQGWPJOQ-UHFFFAOYSA-N

• Halothane
IUPAC Name: 2-bromo-2-chloro-1,1,1-trifluoroethane | CAS Registry Number: 151-67-7
Synonyms: halothane, Fluothane, Fluorotane, Ftuorotan, Narcotane, Ftorotan, Halothan, Narcotan, Phthorothanum, Rhodialothan, Halotano, Narkotan, Anestan, Fluktan, Halotan, Halsan, Halan, Chalothane, Fluorothane, Alotano

Molecular Formula: C2HBrClF3Molecular Weight: 197.381550 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: BCQZXOMGPXTTIC-UHFFFAOYSA-N

• Hesperetin
IUPAC Name: (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one | CAS Registry Number: 520-33-2
Synonyms: hesperetin, Hesperitin, (-)-hesperetin, Prestwick_908, YSO2, Spectrum_000181, Prestwick0_000124, Prestwick1_000124, Prestwick2_000124, Prestwick3_000124, Spectrum2_001793, Spectrum3_001104, Spectrum4_001935, Spectrum5_000683, Oprea1_828704, BSPBio_000168, BSPBio_002808, KBioGR_002311, KBioSS_000661, SPECTRUM310012

Molecular Formula: C16H14O6Molecular Weight: 302.278760 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: AIONOLUJZLIMTK-AWEZNQCLSA-N

• Hexadecanolactone
IUPAC Name: 17-oxacycloheptadecan-1-one | CAS Registry Number: 109-29-5
Synonyms: Hexadecanolide, Cyclohexadecanolide, Dihydroambrettolide, 16-Hexadecanolactone, Juniperic acid lactone, 1,16-Hexadecanolide, 16-Hexadecanolide, 1,16-Hexadecalactone, 1,16-Hexadecanolactone, OXACYCLOHEPTADECAN-2-ONE, Ambap7738, H0893_SIGMA, JUNIPERIC ACID, LACTONE, 540757_ALDRICH, 16-Hydroxyhexadecanoic acid lactone, NSC33546, EINECS 203-662-0, NSC 33546, BRN 0148631, AI3-37208

Molecular Formula: C16H30O2Molecular Weight: 254.408200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: LOKPJYNMYCVCRM-UHFFFAOYSA-N

• Hexafluoroisopropanol
IUPAC Name: 1,1,1,3,3,3-hexafluoropropan-2-ol | CAS Registry Number: 920-66-1
Synonyms: HFIP, Hexafluoro-2-propanol, Bis(trifluoromethyl)methanol, 2H-Hexafluoroisopropanol, Hexafluoroisopropyl alcohol, WLN: FXFFYQXFFF, CCRIS 6043, NCIOpen2_001854, 1,1,1,3,3,3-Hexafluoro-2-propanol, 105228_ALDRICH, 2-Propanol, 1,1,1,3,3,3-hexafluoro-, 325244_ALDRICH, 1,1,1,3,3,3-Hexafluoroisopropanol, 52517_FLUKA, EINECS 213-059-4, NSC 96336, NSC96336, 1,1,1,3,3,3-Hexafluoroisopropyl alcohol, BRN 1841007, ZINC03860857

Molecular Formula: C3H2F6OMolecular Weight: 168.037799 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: BYEAHWXPCBROCE-UHFFFAOYSA-N

• Hexahydrophthalic Anhydride
IUPAC Name: 3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione | CAS Registry Number: 85-42-7
Synonyms: Lekutherm Hardener H, HHPA, Araldite HT 907, Hexahydrophthalic anhydride, 1,3-Isobenzofurandione, hexahydro-, Hexahydrophthalic acid anhydride, 1,2-Cyclohexanedicarboxylic anhydride, Hexahydro-2-benzofuran-1,3-dione, NT 907, NSC 8622, EINECS 201-604-9, NSC8622, Cyclohexane-1,2-dicarboxylic anhydride, 1,2-Cyclohexanedicarboxylic acid anhydride, EINECS 236-086-3, EINECS 238-009-9, cis-1,2-Cyclohexanedicarboxylic anhydride, cis-Cyclohexane-1,2-dicarboxylic anhydride, 1,3-Isobenzofurandione, hexahydro-, trans-, 1,3-Isobenzofurandione, hexahydro-, cis-

Molecular Formula: C8H10O3Molecular Weight: 154.163200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: MUTGBJKUEZFXGO-UHFFFAOYSA-N

• Hydrastine
IUPAC Name: 6,7-dimethoxy-3-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-2-benzofuran-1-one | CAS Registry Number: 118-08-1
Synonyms: HYDRASTINE, beta-Hydrastine, l-Hydrastine, (+)-Hydrastine, Oprea1_165991, Oprea1_763992, MLS001210424, MEGxp0_001472, CID1309, UNII-8890V3217X, EINECS 204-233-0, BRN 0098575, NCGC00091048-01, NCGC00091048-02, NCGC00091048-03, NCGC00091048-04, NCGC00091048-05, NCGC00093981-01, NCGC00093981-02, NCGC00093981-03

Molecular Formula: C21H21NO6Molecular Weight: 383.394540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: JZUTXVTYJDCMDU-UHFFFAOYSA-N

• Hydroxypropyl Cyclodextrins
Synonyms: 2-Hydroxypropyl-|A-cyclodextrin, |A-Cyclodextrin 2-Hydroxypropyl Ethers

Molecular Formula: C46H80O36Molecular Weight: 1209.105800 [g/mol]
H-Bond Donor: 22H-Bond Acceptor: 36

InChIKey: VPJCIEQTNHOXSR-KOFUJVCHSA-N

• Hyoscine n-butylbromide
Synonyms: Buscopan, Buscopan (TN), scopolamine butylbromide, Butylscopolamine bromide, Scopolamine butylbromide (JP15), D01451

Molecular Formula: C21H30BrNO4Molecular Weight: 440.371200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: HOZOZZFCZRXYEK-OXDSVUBJSA-M

• α-Vitamin E
IUPAC Name: (2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol | CAS Registry Number: 59-02-9
Synonyms: alpha-Tocopherol, VITAMIN E, Ephanyl, Phytogermine, Waynecomycin, Viteolin, Eprolin, Vitaped, Esorb, Aquasol E, Mvc Plus, Pheryl-E, Vita plus E, ido-E, Vitamin- E, D-alpha-Tocopherol, Prestwick_653, (+)-alpha-Tocopherol, Tocopherol (R,S), M.V.I. Pediatric

Molecular Formula: C29H50O2Molecular Weight: 430.706100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GVJHHUAWPYXKBD-IEOSBIPESA-N

• β-Caryophyllene
IUPAC Name: (1R,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene | CAS Registry Number: 87-44-5
Synonyms: Caryophyllene, BETA-CARYOPHYLLENE, Isocaryophyllene, L-Caryophyllene, beta-Caryophyllen, trans-Caryophyllene, Caryophyllene (VAN), .beta.-(E)-Caryophyllene, (-)-trans-Caryophyllene, beta-Caryophyllene (natural), C9653_SIGMA, W225207_ALDRICH, FEMA No. 2252, 22075_FLUKA, (−)-trans-Caryophyllene, EINECS 201-746-1, LMPR01030030, NSC 11906, SBB012403, NCGC00142620-01

Molecular Formula: C15H24Molecular Weight: 204.351060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: NPNUFJAVOOONJE-GFUGXAQUSA-N

• β-D-Glucose pentaacetate
IUPAC Name: [(2S,3R,5R,6R)-2,3,5-triacetyloxy-6-(acetyloxymethyl)oxan-4-yl] acetate | CAS Registry Number: 604-69-3
Synonyms: beta-D-Glucose pentaacetate, beta-D-Glucopyranose, pentaacetate, EINECS 210-074-8

Molecular Formula: C16H22O11Molecular Weight: 390.339280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 11

InChIKey: LPTITAGPBXDDGR-PGCRLHFJSA-N

• β-Estradiol 17-acetate
IUPAC Name: (3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) acetate | CAS Registry Number: 1743-60-8
Synonyms: Estradiol 17-acetate, Spectrum_001221, beta-Estradiol 17-acetate, Spectrum2_000010, Spectrum3_001466, Spectrum4_000615, Spectrum5_001031, BSPBio_002991, KBioGR_001170, KBioSS_001701, E7879_SIGMA, SPECTRUM1501184, SPBio_000019, 46551_RIEDEL, 46551_FLUKA, KBio2_001701, KBio2_004269, KBio2_006837, KBio3_002491, MolPort-001-833-877

Molecular Formula: C20H26O3Molecular Weight: 314.418640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: QAHOQNJVHDHYRN-UHFFFAOYSA-N

• Ih-Tetrazole-1-Acetic Acid
IUPAC Name: 2-(tetrazol-1-yl)acetic acid | CAS Registry Number: 21732-17-2
Synonyms: Tetrazole-1-acetic acid, Tetrazol-1-yl-acetic acid, 1H-Tetrazol-1-acetic acid, 1H-Tetrazole-1-acetic acid, 1H-Tetraazol-1-ylacetic acid, ZERO/005907, EINECS 244-551-7, UN0407, BAS 04444160, AG-664/25040001, Tetrazol-1-acetic acid [UN0407] [Explosive 1.4C]

Molecular Formula: C3H4N4O2Molecular Weight: 128.089460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: GRWAIJBHBCCLGS-UHFFFAOYSA-N

• iso octane
IUPAC Name: 2,2,4-trimethylpentane | CAS Registry Number: 540-84-1
Synonyms: Isooctane, 2,2,4-Trimethylpentane, Isobutyltrimethylmethane, Pentane, 2,2,4-trimethyl-, 2,4,4-Trimethylpentane, TRIMETHYLPENTANE, ISO-OCTANE, HSDB 5682, 258776_ALDRICH, 32291_RIEDEL, 34499_RIEDEL, 360066_ALDRICH, 650439_ALDRICH, 59030_FLUKA, 59041_FLUKA, 59045_FLUKA, EINECS 208-759-1, NSC 39117, 34862_SIAL, 155012_SIAL

Molecular Formula: C8H18Molecular Weight: 114.228520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: NHTMVDHEPJAVLT-UHFFFAOYSA-N

• Iso-H7 dihydrochloride
IUPAC Name: 5-(3-methylpiperazin-1-yl)sulfonylisoquinoline dihydrochloride | CAS Registry Number: 140663-38-3
Synonyms: Iso-H-7, Iso-H-7, Dihydrochloride, ISO-H7, I6391_SIGMA, IN1301, CID11957580, EU-0100662, NCGC00094024-01, 1-(5-isoquinolinesulfonyl)-3-methylpiperazine, 1-(5-Isoquinolinesulfonyl)-3-methylpiperazine, 2HCl, 1-(5-Isoquinolinylsulfonyl)-3-methylpiperazine dihydrochloride

Molecular Formula: C14H19Cl2N3O2SMolecular Weight: 364.290560 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: YHYNDFTUZMEYNX-UHFFFAOYSA-N


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