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• Ammonium O,O-dimethyl dithiophosphate

IUPAC Name: azanium dimethoxy-sulfanylidene-sulfido-$l^{5}-phosphane | CAS Registry Number: 1066-97-3
Synonyms: 756-80-9 (Parent), EINECS 213-922-5, CID6451175

Molecular Formula:	C₂H₁₀NO₂PS₂	Molecular Weight:	175.210061 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: PPGORMGERPBFTJ-UHFFFAOYSA-N

• Ammonium Perfluorooctanesulfonate

IUPAC Name: azane; 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid | CAS Registry Number: 29081-56-9
Synonyms: Ammonium PFOS, EINECS 249-415-0, CID120124, Ammonium heptadecafluorooctanesulphonate, I09-1009, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonic acid, ammonium salt, 1-Octanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-, ammonium salt, 1-Octanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-, ammonium salt (1:1), 175895-38-2, 76560-29-7

Molecular Formula:	C₈H₄F₁₇NO₃S	Molecular Weight:	517.160114 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	21

InChIKey: UAWBWGUIUMQJIT-UHFFFAOYSA-N

• Ammonium Perfluorooctanoate

IUPAC Name: azane; 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid | CAS Registry Number: 3825-26-1
Synonyms: Fluorad FC 143, Ammonium perfluorocaprylate, Ammonium perfluorooctanoate, Perfluoroammonium octanoate, Ammonium pentadecafluorooctanoate, Ammonium perfluorocaprilate, 77262_FLUKA, Perfluorooctanoic acid, ammonium salt, NSC35120, Perfluorocaprylic acid ammonium salt, Perfluorooctanoic acid ammonium salt, EINECS 223-320-4, FC 143, FC-143, NSC 35120, Pentadecafluorooctanoic acid ammonium salt, Octanoic acid, pentadecafluoro-, ammonium salt, Pentadecafluoro-1-octanoic acid, ammonium salt, 335-67-1, 77751-76-9

Molecular Formula:	C₈H₄F₁₅NO₂	Molecular Weight:	431.098908 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	18

InChIKey: YOALFLHFSFEMLP-UHFFFAOYSA-N

• Ammonium Polyphosphate

IUPAC Name: triazanium;phosphate | CAS Registry Number: 68333-79-9
Synonyms: Ammonium polyphosphate, triammonium phosphate, Phosphoric acid, ammonium salt (1:3), 10361-65-6, Triammonium orthophosphate, UNII-2ZJF06M0I9, Phosphoric acid, triammonium salt, triazanium phosphate, EINECS 233-793-9, EINECS 270-200-2, AC1L4LKC, (NH4PO3)n, MAP, Ammonium acid phosphate, 2ZJF06M0I9, DTXSID8052778, Phosphoric acid, di-C4-18-alkyl esters, ammonium salts, CTK8G4282, MolPort-028-599-795, ZRIUUUJAJJNDSS-UHFFFAOYSA-N, 68412-62-4

Molecular Formula:	H₁₂N₃O₄P	Molecular Weight:	149.087 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: ZRIUUUJAJJNDSS-UHFFFAOYSA-N

• ammonium stearate (CAS: 68604-31-9)

• Amobarbital

IUPAC Name: 5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione | CAS Registry Number: 57-43-2
Synonyms: amobarbital, Amylobarbitone, Barbamil, Barbamyl, Isomytal, Amytal, Amylbarbitone, Amylobarbital, Amobarbitone, Pentymalum, Schiwanox, Stadadorm, Binoctal, Dorlotyn, Dormytal, Eunoctal, Mylodorm, Pentymal, Sednotic, Amasust

Molecular Formula:	C₁₁H₁₈N₂O₃	Molecular Weight:	226.272220 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: VIROVYVQCGLCII-UHFFFAOYSA-N

• Amoxapine

IUPAC Name: 8-chloro-6-piperazin-1-ylbenzo[b][1,5]benzoxazepine | CAS Registry Number: 14028-44-5
Synonyms: amoxapine, Asendin, Amoxepine, Demolox, Moxadil, Amoxan, Desmethylloxapin, Desmethylloxapine, Prestwick_503, Asendin (TN), Amoxapinum [INN-Latin], Amoxapina [INN-Spanish], Spectrum_000446, Lopac-A-129, Prestwick0_000102, Prestwick1_000102, Prestwick2_000102, Prestwick3_000102, Spectrum2_001245, Spectrum3_001067

Molecular Formula:	C₁₇H₁₆ClN₃O	Molecular Weight:	313.781440 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: QWGDMFLQWFTERH-UHFFFAOYSA-N

• Amoxycillin Trihydrate

IUPAC Name: (2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid trihydrate | CAS Registry Number: 61336-70-7
Synonyms: amoxicillin, Amoxil, Amoksicillin, Kentrocyllin, Matasedrin, Novabritine, Paradroxil, Zamocillin, Zamocilline, Amoxidal, Amoxillat, Amoxipen, Augmentin, Benzoral, Clamoxyl, Flemoxine, Galenamox, Gramidil, Hiconcil, Himinomax

Molecular Formula:	C₁₆H₂₅N₃O₈S	Molecular Weight:	419.450000 [g/mol]
H-Bond Donor:	7	H-Bond Acceptor:	9

InChIKey: MQXQVCLAUDMCEF-CWLIKTDRSA-N

• Amphetamine Sulfate

IUPAC Name: 1-phenylpropan-2-amine; sulfuric acid | CAS Registry Number: 60-13-9
Synonyms: Phenaminum, Benzpropamine, Pharmamedrine, Psychedrinum, Sympatedrine, Synsatedrine, Adiparthrol, Benzafinyl, Benzedrine, Cartwheels, Centramina, Ibiozedrine, Monetamine, Phenopromin, Phenpromin, Propisamine, Psychedrine, Psychedryna, Raphetamine, Rhinalator

Molecular Formula:	C₁₈H₂₈N₂O₄S	Molecular Weight:	368.490920 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	6

InChIKey: PYHRZPFZZDCOPH-UHFFFAOYSA-N

• Ampicillin

IUPAC Name: (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | CAS Registry Number: 69-53-4
Synonyms: ampicillin, Omnipen, Ampicillin acid, Tokiocillin, Principen, Synpenin, Amcill, D-Ampicillin, Bonapicillin, Racenacillin, Totalciclina, Adobacillin, Ampicilline, Amplacilina, Amplipenyl, Campicillin, Copharcilin, Divercillin, Doktacillin, Duphacillin

Molecular Formula:	C₁₆H₁₉N₃O₄S	Molecular Weight:	349.404760 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: AVKUERGKIZMTKX-NJBDSQKTSA-N

• Ampicillin Trihydrate

IUPAC Name: (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid trihydrate | CAS Registry Number: 7177-48-2
Synonyms: Polycillin, Trafarbiot, Ampinova, Amperil, Amcill, Amcap, Cymbi, ampicillin, ukopen, vidopen, Divercillin, Princillin, Probampacin, Totacillin, Ampichel, Lifeampil, Penbritin, Principen, Acillin, Ampikel

Molecular Formula:	C₁₆H₂₅N₃O₇S	Molecular Weight:	403.450600 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	8

InChIKey: RXDALBZNGVATNY-CWLIKTDRSA-N

• Amyl Acetate

IUPAC Name: pentyl acetate | CAS Registry Number: 628-63-7
Synonyms: Pentyl acetate, Amyl acetate, n-Amyl acetate, Birnenoel, Pent-acetate, Banana oil, Chlordantoin, Pear oil, 1-Pentyl acetate, n-Pentyl ethanoate, Pent-acetate 28, Amylazetat, Amyl acetic ester, Amyl acetic ether, Prim-amyl acetate, Acetic acid, pentyl ester, Octan amylu, Acetate d'amyle, Amyl acetate, n-, 1-Pentanol acetate

Molecular Formula:	C₇H₁₄O₂	Molecular Weight:	130.184860 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: PGMYKACGEOXYJE-UHFFFAOYSA-N

• Amyl Cinnamic Alcohol

IUPAC Name: (2E)-2-(phenylmethylidene)heptan-1-ol | CAS Registry Number: 101-85-9
Synonyms: Buxinol, 2-Benzylidene-1-heptanol, 2-Benzylideneheptanol, alpha-Amylcinnamyl alcohol, 2-Pentylcinnamic alcohol, alpha-Amylcinnamic alcohol, alpha-Pentylcinnamyl alcohol, 1-Heptanol, 2-(phenylmethylene)-, FEMA No. 2065, 2-(Phenylmethylene)-1-heptanol, W206504_ALDRICH, 2-Amyl-3-phenyl-2-propen-1-ol, 1-HEPTANOL, 2-BENZYLIDENE-, 2-Pentyl-3-phenylprop-2-en-1-ol, 87894_FLUKA, EINECS 202-982-8, BRN 3127316, AI3-28807, CID5368491, LS-2560

Molecular Formula:	C₁₄H₂₀O	Molecular Weight:	204.308000 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: LIPHCKNQPJXUQF-SDNWHVSQSA-N

• Amyl Vinyl Carbinol

IUPAC Name: oct-1-en-3-ol | CAS Registry Number: 3391-86-4
Synonyms: Amyl vinyl carbinol, 1-Vinylhexanol, 1-OCTEN-3-OL, Vinyl amyl carbinol, Amylvinylcarbinol, Matsuica alcohol, Matsutake alcohol, 3-Hydroxy-1-octene, Pentylvinylcarbinol, Vinyl hexanol, 3-Octenol, Mushroom alcohol, Pentyl vinyl carbinol, Oct-1-ene-3-ol, Oct-1-en-3-ol, octene-1-ol-3, 1-Okten-3-ol [Czech], 1-Octen-3-ol (natural), Matsutake alcohol [Japanese], FEMA No. 2805

Molecular Formula:	C₈H₁₆O	Molecular Weight:	128.212040 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: VSMOENVRRABVKN-UHFFFAOYSA-N

• Amyl Vinyl Carbinyl Acetate

IUPAC Name: oct-1-en-3-yl acetate | CAS Registry Number: 2442-10-6
Synonyms: Octenyl acetate, 3-Acetoxyoctene, 1-Octen-3-yl acetate, 3-Acetoxy octene, Amyl crotonyl acetate, 3-Acetoxy-1-octene, 1-Pentylallyl acetate, Pentyl crotonyl acetate, Oct-1-en-3-yl acetate, Amyl vinyl carbinol acetate, Amyl vinyl carbinyl acetate, 1-OCTEN-3-OL, ACETATE, Pentyl vinyl carbinol acetate, FEMA No. 3582, W358207_ALDRICH, EINECS 219-474-7, BRN 1722392, AI3-34394, LS-3004, 4-02-00-00192 (Beilstein Handbook Reference)

Molecular Formula:	C₁₀H₁₈O₂	Molecular Weight:	170.248720 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: DOJDQRFOTHOBEK-UHFFFAOYSA-N

• Anaesthetic Ether

IUPAC Name: ethoxyethane | CAS Registry Number: 60-29-7
Synonyms: ether, Ethyl ether, DIETHYL ETHER, Ethoxyethane, Anesthetic ether, Pronarcol, Diethyl oxide, Ethyl oxide, Aether, Ether, ethyl, Solvent ether, Anesthesia ether, Anaesthetic ether, 3-Oxapentane, Ethane, 1,1'-oxybis-, 1,1'-oxydiethane, Diaethylaether, Diethylaether, Ethylether, Dwuetylowy eter

Molecular Formula:	C₄H₁₀O	Molecular Weight:	74.121600 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: RTZKZFJDLAIYFH-UHFFFAOYSA-N

• Androstane

IUPAC Name: (5R,8S,9S,10S,13S,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene | CAS Registry Number: 438-22-2
Synonyms: Etioallocholane, 5alpha-Androstane, Aetioallocholan, Aetioallocholane, (5alpha)Androstane, 5.alpha.-Androstan, 5.alpha.-Androstane, Androstane, (5alpha)-, 5alpha,14alpha-Androstane, Androstane, (5.alpha.)-, A0887_SIGMA, 5.alpha.,14.alpha.-Androstane, CHEBI:28859, NSC49000, EINECS 207-116-2, LMST02020056, C01554, 24887-75-0

Molecular Formula:	C₁₉H₃₂	Molecular Weight:	260.457380 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: QZLYKIGBANMMBK-UGCZWRCOSA-N

• Androstenedione (CAS: 1963-05-8)

• Anethole

IUPAC Name: 1-methoxy-4-[(E)-prop-1-enyl]benzene | CAS Registry Number: 104-46-1
Synonyms: trans-Anethole, ANETHOLE, trans-Anethol, Isoestragole, Anise camphor, p-Anethole, Oil of aniseed, Aniskampfer, Monasirup, p-Propenylanisole, (E)-Anethole, Anethol, trans-p-Anethole, (E)-Anethol, 4-Propenylanisole, t-anethole, Anethole, trans-, E-anethole, trans-p-Propenylanisole, (E)-p-Propenylanisole

Molecular Formula:	C₁₀H₁₂O	Molecular Weight:	148.201680 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: RUVINXPYWBROJD-ONEGZZNKSA-N

• Anhydrous Methanol

IUPAC Name: methanol | CAS Registry Number: 67-56-1
Synonyms: methanol, methyl alcohol, carbinol, wood alcohol, Wood naphtha, Wood spirit, Methylol, Colonial Spirit, Methyl hydroxide, Pyroxylic spirit, Columbian Spirit, Monohydroxymethane, Alcohol, methyl, Columbian spirits, Methyl hydrate, Colonial spirits, Methylalkohol, Pyroxylic spirits, alcohol, MeOH

Molecular Formula:	CH₄O	Molecular Weight:	32.041860 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: OKKJLVBELUTLKV-UHFFFAOYSA-N

• Anilazine

IUPAC Name: 4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine | CAS Registry Number: 101-05-3
Synonyms: Bortrysan, Zinochlor, Anilazin, Triazine, Triasym, Triasyn, Triazin, Kemate, Direz, DYRENE, Dyrene Flussig, Dyrene 50W, Aniyaline, Triazine (pesticide), Direx, Triazine (VAN), Kemat e, Caswell No. 302, Anilazine [BSI:ISO], CCRIS 43

Molecular Formula:	C₉H₅Cl₃N₄	Molecular Weight:	275.521800 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: IMHBYKMAHXWHRP-UHFFFAOYSA-N

• Anilazine-d4(ring-d4)

IUPAC Name: 4,6-dichloro-N-(2-chloro-3,4,5,6-tetradeuteriophenyl)-1,3,5-triazin-2-amine | CAS Registry Number: 1219802-20-6
Synonyms: Anilazine-d4, Aniyaline-d4, Bortrysan-d4, Zinochlor-d4, Triazine-d4, Triazin-d4, Dyrene-d4, Kemate-d4, Dyrene Flussig-d4, Dyrene 50W-d4, NSC 3851-d4, B 622-d4, 2,4-Dichloro-6-(2-chloranilino)-s-triazine-d4, 4,6-Dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine-d4

Molecular Formula:	C₉H₅Cl₃N₄	Molecular Weight:	279.541 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: IMHBYKMAHXWHRP-RHQRLBAQSA-N

• Aniline-D5

IUPAC Name: 2,3,4,5,6-pentadeuterioaniline | CAS Registry Number: 4165-61-1
Synonyms: Benzen-d5-amine, Aniline-d5, Benzenamine, Phenyl-d5-amine, 175692_ALDRICH, 442454_SUPELCO, Aniline-2,3,4,5,6-d5, MolPort-003-927-151, EINECS 224-015-9, (2,3,4,5,6-2H5)Aniline, CID123211

Molecular Formula:	C₆H₇N	Molecular Weight:	98.157289 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: PAYRUJLWNCNPSJ-RALIUCGRSA-N

• Aniprime

IUPAC Name: (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one | CAS Registry Number: 2135-17-3
Synonyms: flumethasone, Flumetasone, Flucorticin, Flumethason, Cortexilar, Anaprime, Methagon, Flucort, Fluvet, Flumethasonum, Fluorodexamethasone, Flucort (Veterinary), Prestwick_229, Flumetasone (INN), 6alpha-Fluorodexamethasone, Flumethasone (USAN), Flumetasonum [INN-Latin], Flumethasone [USAN:BAN], 6-alpha-Fluorodexamethasone, Flumetasona [INN-Spanish]

Molecular Formula:	C₂₂H₂₈F₂O₅	Molecular Weight:	410.451526 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	7

InChIKey: WXURHACBFYSXBI-GQKYHHCASA-N

• Anisyl Acetate

IUPAC Name: (4-methoxyphenyl)methyl acetate | CAS Registry Number: 104-21-2
Synonyms: Anisyl acetate, Cassie ketone, 4-Methoxybenzyl acetate, Anisyl acetate (natural), Anisyl acetate, p-isomer, Methoxybenzyl acetate, p-, P-METHOXYBENZYL ACETATE, p-Methoxybenzyl alcohol acetate, Benzyl alcohol, p-methoxy-, acetate, Benzenemethanol, 4-methoxy-, acetate, W209805_ALDRICH, FEMA No. 2098, 4-Methoxybenzenenemethyl acetate, NSC46102, EINECS 203-185-8, NSC 46102, ZINC01677778, AI3-04097, ST5330641, Benzyl alcohol, p-methoxy-, acetate (8CI)

Molecular Formula:	C₁₀H₁₂O₃	Molecular Weight:	180.200480 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: HFNGYHHRRMSKEU-UHFFFAOYSA-N

• ANTHANTHRENE

Synonyms: Anthanthrene, Anthranthrene, Anthanthren, Dibenzo(cd,jk)pyrene, Anthanthren [German], Anthanthrene solution, Dibenzo[def,mno]chrysene, CCRIS 48, BCR091_FLUKA, DIBENZO(DEF,MNO)CHRYSENE, 36960_RIEDEL, EINECS 205-884-3, CID9118, MolPort-003-931-160, BRN 2052392, LS-60611, 4-05-00-02765 (Beilstein Handbook Reference)

Molecular Formula:	C₂₂H₁₂	Molecular Weight:	276.330680 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: YFIJJNAKSZUOLT-UHFFFAOYSA-N

• Anthracene

IUPAC Name: anthracene | CAS Registry Number: 120-12-7
Synonyms: ANTHRACENE, Anthracin, Paranaphthalene, Green Oil, acene, acenes, polyacenes, Tetra Olive N2G, Anthracen, Anthrazen, Anthracene, pure, Acen, Azen, Anthracen [German], Anthracene solution, Bis-alkylamino anthracene, CCRIS 767, HSDB 702, A89200_ALDRICH, 40076_SUPELCO

Molecular Formula:	C₁₄H₁₀	Molecular Weight:	178.229200 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: MWPLVEDNUUSJAV-UHFFFAOYSA-N

• Anthracene-9-Carboxylic Acid

IUPAC Name: anthracene-9-carboxylic acid | CAS Registry Number: 723-62-6
Synonyms: 9-Anthroic acid, 9-Anthracenecarboxylic acid, 9-Carboxyanthracene, ANCA, anthracene-9-carboxylic acid, 9-AC cpd, Spectrum_001457, Tocris-0963, Spectrum3_001767, Spectrum4_000875, Spectrum5_001807, 9-ACA, 9-anthracene carboxylic acid, A89405_ALDRICH, BSPBio_003233, KBioGR_001569, KBioSS_001937, 9-anthroic acid, sodium salt, Anthracene-10-carboxylic acid, DivK1c_000919

Molecular Formula:	C₁₅H₁₀O₂	Molecular Weight:	222.238700 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: XGWFJBFNAQHLEF-UHFFFAOYSA-N

• Anthracene-D10

IUPAC Name: 1,2,3,4,5,6,7,8,9,10-decadeuterioanthracene | CAS Registry Number: 1719-06-8
Synonyms: Anthracene-D10-, (2H10)Anthracene, Perdeuterioanthracene, Anthracene. perdeutero-, ANTHRACENE-D10, 176591_ALDRICH, 442456_SUPELCO, MolPort-003-927-192, CID80291, EINECS 217-004-5

Molecular Formula:	C₁₄H₁₀	Molecular Weight:	188.290818 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: MWPLVEDNUUSJAV-LHNTUAQVSA-N

• ANTHRACENO[2.3-A]CORONENE

Synonyms: Anthra[2,3-a]coronene, AC1LCPZC, CTK1H3330, AG-G-07837, Anthraceno[2,3-a]coronene;Anthraceno[2',3':1,2]coronene

Molecular Formula:	C₃₆H₁₈	Molecular Weight:	450.528120 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: MEJKLMDIDWGEPF-UHFFFAOYSA-N

• Anthraquinone

IUPAC Name: anthracene-9,10-dione | CAS Registry Number: 84-65-1
Synonyms: ANTHRAQUINONE, 9,10-Anthracenedione, Anthradione, Hoelite, Morkit, 9,10-Anthraquinone, Anthrapel, Corbit, Anthracenedione, Anthrachinon, Anthracenequinone, 9,10-Dioxoanthracene, Anthra-9,10-quinone, Caswell No. 052A, 9,10-Anthrachinon, 9,10-Anthracendion, Spectrum_001527, Anthraquinone [BSI:ISO], anthracene-9,10-dione, SpecPlus_000645

Molecular Formula:	C₁₄H₈O₂	Molecular Weight:	208.212120 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: RZVHIXYEVGDQDX-UHFFFAOYSA-N

• ANTHRAQUINONE-D8

IUPAC Name: 1,2,3,4,5,6,7,8-octadeuterioanthracene-9,10-dione | CAS Registry Number: 10439-39-1
Synonyms: Anthraquinone-d8

Molecular Formula:	C₁₄H₈O₂	Molecular Weight:	216.261414 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: RZVHIXYEVGDQDX-PGRXLJNUSA-N

• Anthrone

IUPAC Name: 10H-anthracen-9-one | CAS Registry Number: 90-44-8
Synonyms: Carbothrone, Anthranone, ANTHRONE, 9(10H)-Anthracenone, 9-Oxoanthracene, 10H-anthracen-9-one, Ambap1438, anthracen-9(10H)-one, 9,10-Dihydro-9-oxoanthracene, CCRIS 3175, HSDB 2158, Anthracene, 9,10-dihydro-9-oxo-, A1631_SIAL, NSC 1965, 10740_FLUKA, CHEBI:33835, EINECS 201-994-0, NSC1965, 319899_SIAL, ZINC01017610

Molecular Formula:	C₁₄H₁₀O	Molecular Weight:	194.228600 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: RJGDLRCDCYRQOQ-UHFFFAOYSA-N

• Antioxidant BHT

IUPAC Name: 2,6-ditert-butyl-4-methylphenol | CAS Registry Number: 128-37-0
Synonyms: Butylated hydroxytoluene, Butylhydroxytoluene, Dibunol, Ionol, Impruvol, Topanol, Dalpac, Deenax, Ionole, Stavox, Vianol, Antioxidant KB, Kerabit, Sustane, Tonarol, Agidol, Antioxidant 4K, Sumilizer BHT, Topanol O, Topanol OC

Molecular Formula:	C₁₅H₂₄O	Molecular Weight:	220.350460 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: NLZUEZXRPGMBCV-UHFFFAOYSA-N

• Antioxidants: General

IUPAC Name: [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] acetate

Molecular Formula:	C₃₁H₅₂O₃	Molecular Weight:	472.742780 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: ZAKOWWREFLAJOT-CEFNRUSXSA-N

• Antipyrine

IUPAC Name: 1,5-dimethyl-2-phenylpyrazol-3-one | CAS Registry Number: 60-80-0
Synonyms: antipyrine, Phenazone, Anodynin, Analgesine, Anodynine, Antipirin, Antipyrin, Phenozone, Fenazone, Phenazon, Azophen, Antipyrinum, Apirelina, Azophenum, Phenazonum, Phenylone, Pyrazophyl, Auralgan, Azophene, Methozin

Molecular Formula:	C₁₁H₁₂N₂O	Molecular Weight:	188.225780 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: VEQOALNAAJBPNY-UHFFFAOYSA-N

• ANTIPYRINE-D3

IUPAC Name: 5-methyl-2-phenyl-1-(trideuteriomethyl)pyrazol-3-one | CAS Registry Number: 65566-62-3
Synonyms: Antipyrine-d3, CTK8F7797, AG-G-46880, FT-0662246, 2-Trideuteromethyl-3-methyl-1-phenyl-3-pyrazolin-5-one, 2-Trideuteromethyl-3-methyl-1-phenyl-3-pyrazolin-5-one;5-Methyl-1-(2H3)methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one;

Molecular Formula:	C₁₁H₁₂N₂O	Molecular Weight:	191.244265 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: VEQOALNAAJBPNY-BMSJAHLVSA-N

• Apixaban

IUPAC Name: [4-[3-carbamoyl-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridin-1-yl]phenyl] hydrogen sulfate

Molecular Formula:	C₂₄H₂₃N₅O₇S	Molecular Weight:	525.533720 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	8

InChIKey: HRIFVOGTDGFZKP-UHFFFAOYSA-N

• Apomorphine

Synonyms: apomorphine, Apomorfin, Uprima, L-Apomorphine, Apomorphin, Apormorphine, IV Apomorphine, R-(-)-Apomorphine, Apomorphine chloride, Apomorphine (BAN), nchembio873-comp6, Uprima (TN), Tocris-2073, Prestwick0_000101, Prestwick1_000101, Prestwick2_000101, Prestwick3_000101, 6abeta-Aporphine-10,11-diol, Biomol-NT_000019, (-)-10,11-Dihydroxyaporphine

Molecular Formula:	C₁₇H₁₇NO₂	Molecular Weight:	267.322380 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: VMWNQDUVQKEIOC-CYBMUJFWSA-N

• Apomorphine Hydrochloride Hemihydrate

Synonyms: Apokyn, Ixense, Uprima, Apomorphine hydrochloride, Apokyn (TN), Ixense (TN), Uprima (TN), A4393_SIGMA, Apomorphine hydrochloride [USAN], Apmorphine hydrochloride hemihydrate, Apomorphine hydrochloride (USP), Apomorphin hydrochlorid wasser (2/1), 2C17H17NO2.2HCl.H2O, CID107882, Apomorphine Hydrochloride, Hemihydrate, LS-174890, D02004, 6abeta-Aporphine-10,11-diol hydrochloride hemihydrate, R-(−)-Apomorphine hydrochloride hemihydrate, (6aR)-5,6,6a,7-Tetrahydro-6-methyl-4H-dibenzo(de,g)chinolin-10,11-diol hydrochlorid

Molecular Formula:	C₃₄H₃₈Cl₂N₂O₅	Molecular Weight:	625.581920 [g/mol]
H-Bond Donor:	7	H-Bond Acceptor:	7

InChIKey: CXWQXGNFZLHLHQ-DPFCLETOSA-N

• Aqueous cationic polymer (CAS: 10882-76-0)

• Arachidic Acid

IUPAC Name: icosanoic acid | CAS Registry Number: 506-30-9
Synonyms: Arachidic acid, Icosanoic acid, EICOSANOIC ACID, Arachic acid, n-Eicosanoic acid, arachidate, eicosanoate, icosanoate, Arachinsaeure, eicosoic acid, Arachidinic acid, Sodium icosanoate, Calcium diicosanoate, Potassium icosanoate, ARACHIDIC_ACID, nchembio.103-comp14, ARACHIDIC ACID, TECH, icosanoic acid (n-C20:0), WLN: QV19, A3631_SIGMA

Molecular Formula:	C₂₀H₄₀O₂	Molecular Weight:	312.530400 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: VKOBVWXKNCXXDE-UHFFFAOYSA-N

• Arachidic acid ethyl ester

IUPAC Name: ethyl icosanoate | CAS Registry Number: 18281-05-5
Synonyms: Ethyl icosanoate, Ethyl arachidate, Eicosanoic acid, ethyl ester, ETHYL EICOSANOATE, A9010_SIGMA

Molecular Formula:	C₂₂H₄₄O₂	Molecular Weight:	340.583560 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: YBKSMWBLSBAFBQ-UHFFFAOYSA-N

• Arachidic Acid Methyl Ester

IUPAC Name: methyl icosanoate | CAS Registry Number: 1120-28-1
Synonyms: Methyl arachidate, Methyl arachisate, Methyl icosanoate, METHYL EICOSANOATE, Eicosanoic acid, methyl ester, Arachidic acid methyl ester, Arachidic acid methylester, A3881_SIGMA, 10941_FLUKA, CID14259, EINECS 214-304-8, OR30638, AI3-36455

Molecular Formula:	C₂₁H₄₂O₂	Molecular Weight:	326.556980 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: QGBRLVONZXHAKJ-UHFFFAOYSA-N

• Arachidonic Acid

IUPAC Name: (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | CAS Registry Number: 506-32-1
Synonyms: arachidonic acid, arachidonate, Arachidonsaeure, 1adl, 1gnj, 1vyg, nchembio.86-comp6, (14C)Arachidonic acid, nchembio.129-comp13, Spectrum5_001910, [1-14C]Arachidonic acid, BSPBio_001539, MLS001361328, A3555_SIGMA, A3925_SIGMA, A9673_SIGMA, 10931_FLUKA, CHEBI:15843, AIDS045704, AIDS-045704

Molecular Formula:	C₂₀H₃₂O₂	Molecular Weight:	304.466880 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: YZXBAPSDXZZRGB-DOFZRALJSA-N

• Arachidyl Alcohol

IUPAC Name: icosan-1-ol | CAS Registry Number: 629-96-9
Synonyms: N-Eicosanol, Arachic alcohol, Arachidyl alcohol, 1-EICOSANOL, Arachidic alcohol, Eicosyl alcohol, Icosan-1-ol, icosanol, N-1-Eicosanol, EICOSANOL, Arachinyl alcohol, eicosan-1-ol, Pri-N-eicosyl alcohol, HSDB 5731, 234494_ALDRICH, ARACHIDIC ALCOHOL, 99%, 44860_FLUKA, 44861_FLUKA, EINECS 211-119-4, NSC 120887

Molecular Formula:	C₂₀H₄₂O	Molecular Weight:	298.546880 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: BTFJIXJJCSYFAL-UHFFFAOYSA-N

• Arg-Phe-Asp-Ser

IUPAC Name: 3-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-4-[(1,3-dihydroxy-1-oxopropan-2-yl)amino]-4-oxobutanoic acid | CAS Registry Number: 102567-19-1
Synonyms: A1675_SIGMA, MolPort-003-940-069, CID5236782, CID 5236782

Molecular Formula:	C₂₂H₃₃N₇O₈	Molecular Weight:	523.539520 [g/mol]
H-Bond Donor:	9	H-Bond Acceptor:	12

InChIKey: SAGYNNXCQOFQHW-UHFFFAOYSA-N

• Argipressin acetate

IUPAC Name: (2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide | CAS Registry Number: 113-79-1
Synonyms: ARGIPRESSIN, Arginine vasopressin, Arginine-vasopressin, 8-Arginine-vasopressin, Vasopressin (arginine form), CHEMBL373742, CHEBI:34543, Argipressin tannate, [Arg8]-Vasopressin, 3-(Phenylalanine)-8-arginineoxytocin, Argipressin tannate (USAN), Argipressin tannate [USAN], Argipressine, Argipressina [DCIT], beta-Hypophamine, Argipresina [INN-Spanish], Argipressine [INN-French], Argipressinum [INN-Latin], Vasopressin, 8-L-arginine-, NCGC00166306-01

Molecular Formula:	C₄₆H₆₅N₁₅O₁₂S₂	Molecular Weight:	1084.231600 [g/mol]
H-Bond Donor:	14	H-Bond Acceptor:	16

InChIKey: KBZOIRJILGZLEJ-LGYYRGKSSA-N

• Aripiprazole

IUPAC Name: 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one | CAS Registry Number: 129722-12-9
Synonyms: Abilify, Abilitat, Abilify Discmelt, Aripirazole, Discmelt, Aripiprazole [USAN], Abilify (TN), OPC 31, Opc 14597, OPC-14597, HSDB 7320, MLS000759517, MLS001165779, MLS001195621, MLS001424078, C23H27Cl2N3O2, Aripiprazole (JAN/USAN/INN), OPC-31, STOCK6S-52961, CHEBI:31236

Molecular Formula:	C₂₃H₂₇Cl₂N₃O₂	Molecular Weight:	448.385380 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: CEUORZQYGODEFX-UHFFFAOYSA-N

• ARIPIPRAZOLE-D8 (BUTYL-D8)

IUPAC Name: 7-[1,1,2,2,3,3,4,4-octadeuterio-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one | CAS Registry Number: 1089115-04-7
Synonyms: Aripiprazole-d8 (butyl-d8), Abilitat-d8, Abilify-d8, [2H8]-Aripiprazole, OPC 31-d8, OPC 14597-d8, CTK8F7826, FT-0662279, 7-[4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]butoxy-d8]-3,4-dihydro-2(1H)-quinolinone, 7-[4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]butoxy-d8]-3,4-dihydrocarbostyril, 2(1H)-Quinolinone, 7-[4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butoxy-1,1,2,2,3,3,4,4-d8]-3,4-dihydro-

Molecular Formula:	C₂₃H₂₇Cl₂N₃O₂	Molecular Weight:	456.434674 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: CEUORZQYGODEFX-BQLKVSHCSA-N