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• Acetylacetonatocarbonyltriphenylphosphinerhodium (I)

IUPAC Name: carbon monoxide; (Z)-4-oxopent-2-en-2-olate; rhodium; triphenylphosphane | CAS Registry Number: 25470-96-6
Synonyms: EINECS 247-015-0, CID5486408, Rhodium, (triphenylphosphine)carbonylacetylacetonate, Carbonyl(pentane-2,4-dionato-O,O')(triphenylphosphine)rhodium, Rhodium, carbonyl(2,4-pentanedionato-kappaO,kappaO')(triphenylphosphine)-, (SP-4-2)-, Rhodium, carbonyl(2,4-pentanedionato-kappaO2,kappaO4)(triphenylphosphine)-, (SP-4-2)-

Molecular Formula:	C₂₄H₂₂O₃PRh-	Molecular Weight:	492.308941 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: RHKGZYVYKXVQSD-MECAPONASA-M

• Adenine

IUPAC Name: 7H-purin-6-amine | CAS Registry Number: 73-24-5
Synonyms: adenine, 6-Aminopurine, Adenin, Adeninimine, 1H-Purin-6-amine, Vitamin B4, Leuco-4, 2-aminopurine, Purine, 6-amino-, 9H-Purin-6-amine, Leucon, 6-Amino-1H-purine, 6-Amino-3H-purine, 6-Amino-7H-purine, 6-Amino-9H-purine, adenine-ring, Pedatisectine B, Adenine [JAN], 1jys, 1nli

Molecular Formula:	C₅H₅N₅	Molecular Weight:	135.126700 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: GFFGJBXGBJISGV-UHFFFAOYSA-N

• Allyltrimethylsilane

IUPAC Name: trimethyl(prop-2-enyl)silane | CAS Registry Number: 762-72-1
Synonyms: Silane, allyltrimethyl-, Silane, trimethyl-2-propenyl-, allyl(trimethyl)silane, 3-(Trimethylsilyl)propene, ALLYL TRIMETHYLSILANE, CCRIS 2649, 208264_ALDRICH, EINECS 212-104-5, CID69808, LS-188195, TL8005210, InChI=1/C6H14Si/c1-5-6-7(2,3)4/h5H,1,6H2,2-4H

Molecular Formula:	C₆H₁₄Si	Molecular Weight:	114.260860 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: HYWCXWRMUZYRPH-UHFFFAOYSA-N

• Amprolium hydrochloride

IUPAC Name: 5-[(2-methylpyridin-1-ium-1-yl)methyl]-2-propylpyrimidin-4-amine chloride hydrochloride | CAS Registry Number: 137-88-2
Synonyms: amprolium, Mepyrium, Amprol, Thiacoccid, Amprolsol vet, Corid vet, Amprol 25, Amprol 25 per cent, Corid 20%, Amprolium (TN), Prestwick_880, MLS002154169, A0542_SIGMA, SPECTRUM1500124, 46062_RIEDEL, EINECS 205-307-5, CID8732, NSC 523454, EINECS 221-272-9, NSC523454

Molecular Formula:	C₁₄H₂₀Cl₂N₄	Molecular Weight:	315.241400 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: PJBQYZZKGNOKNJ-UHFFFAOYSA-M

• Anilino-methyl-triethoxysilane

IUPAC Name: N-(triethoxysilylmethyl)aniline | CAS Registry Number: 3473-76-5
Synonyms: N-((Triethoxysilyl)methyl)aniline, N-(triethoxysilylmethyl)aniline, SureCN159578, AGN-PC-004MIT, MolPort-005-932-548, AKOS016010278, N-PHENYLAMINOMETHYLTRIETHOXYSILANE, AK114540, Benzenamine, N-[(triethoxysilyl)methyl]-, P872, KB-258005, LS-191074

Molecular Formula:	C₁₃H₂₃NO₃Si	Molecular Weight:	269.412120 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: KOVKEDGZABFDPF-UHFFFAOYSA-N

• Anilino-methyl-trimethoxysilane

IUPAC Name: N-[[dimethoxy(methyl)silyl]oxymethyl]aniline | CAS Registry Number: 77855-73-3
Synonyms: SureCN1069533, CTK9A4709, ANILINO-METHYL-TRIMETHOXYSILANE, N-[[dimethoxy(methyl)silyl]oxymethyl]aniline, A839245

Molecular Formula:	C₁₀H₁₇NO₃Si	Molecular Weight:	227.332380 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: QGFMQZCGUPDJCN-UHFFFAOYSA-N

• Anox Pp18

IUPAC Name: octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate | CAS Registry Number: 2082-79-3
Synonyms: Tominokusu SS, Naugard 76, Sumilizer BP 76, Ultranox 276, Antioxidant 1076, Irganox L 107, Irganox 1076, Irganox 1906, Irganox 1976, Irganox I 1076, Ralox 530, Anox PP 18, Mark AO 50, ADK Stab AO 50, AO 4, HSDB 5865, 367079_ALDRICH, EINECS 218-216-0, C35H62O3, CID16386

Molecular Formula:	C₃₅H₆₂O₃	Molecular Weight:	530.864980 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: SSDSCDGVMJFTEQ-UHFFFAOYSA-N

• Antioxidant 1010

IUPAC Name: [3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2-bis[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxymethyl]propyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate | CAS Registry Number: 6683-19-8
Synonyms: Tetraalkofen BPE, Phenosane 23, Dovernox 10, Fenozan 22, Fenozan 23, Naugard 10, phenosan-23, Sumilizer BP 101, Irganox 1010FF, Irganox 1010FP, Irganox 1010, Irganox 1040, Anox 20AM, Ralox 630, ADK Stab AO 60, MARK AO 60, ANOX 20, 441783_ALDRICH, AO 60, EINECS 229-722-6

Molecular Formula:	C₇₃H₁₀₈O₁₂	Molecular Weight:	1177.631420 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	12

InChIKey: BGYHLZZASRKEJE-UHFFFAOYSA-N

• Antioxidant 24

IUPAC Name: 3,9-bis(2,4-ditert-butylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane | CAS Registry Number: 26741-53-7
Synonyms: Weston 626, Ultranox 624, Ultranox 626, Weston MDW 626, MARK PEP 24, CCRIS 8262, EINECS 247-952-5, CID93101, BRN 4773772, LS-109004, Bis(2,4-di-tert-butylphenyl)pentaerythritol diphosphite, Bis(2,4-di-tert-butylphenyl) pentaerythritol diphosphite, Phosphorous acid, cyclic neopentanetetrayl bis(2,4-di-tert-butylphenyl) ester, Phosphorous acid, cyclic neopentanetetrayl bis(2,4-di-tert-butylphenyl)ester, 3,9-Bis(2,4-di-tert-butylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro(5.5)undecane, 2,4,8,10-Tetraoxa-3,9-diphosphaspiro(5.5)undecane, 3,9-bis(2,4-bis(1,1-dimethylethyl)phenoxy)-, 3,9-bis(2,4-di-tert-butylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane, 106234-83-7, 2,4,8,10-Tetraoxa-3,9-diphosphaspiro[5.5]undecane, 3,9-bis[2,4-bis(1,1-dimethylethyl)phenoxy]-, 87498-44-0

Molecular Formula:	C₃₃H₅₀O₆P₂	Molecular Weight:	604.694022 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: AIBRSVLEQRWAEG-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

• Asulam

IUPAC Name: methyl N-(4-aminophenyl)sulfonylcarbamate | CAS Registry Number: 3337-71-1
Synonyms: Asilan, Asulox, Jonnix, Plakin, ASULAM, Asulox F, Asulox 40, Asulame [ISO-French], Methyl sulphanilylcarbamate, Caswell No. 062A, Methyl sulfanilyl carbamate, Methyl sulfanilylcarbamate, M and B 9057, Asulam [ANSI:BSI:ISO], PS1009_SUPELCO, Methyl sulfanilyl carbamate., 45329_RIEDEL, Methyl 4-aminophenylsulphonylcarbamate, Methyl 4-aminobenzenesulphonylcarbamate, Methyl 4-aminobenzenesulfonyl carbamate

Molecular Formula:	C₈H₁₀N₂O₄S	Molecular Weight:	230.241000 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: VGPYEHKOIGNJKV-UHFFFAOYSA-N

• Atazanavir

Molecular Formula:	C₃₈H₅₂N₆O₇	Molecular Weight:	704.855480 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	9

InChIKey: AXRYRYVKAWYZBR-GASGPIRDSA-N

• Atazanavir Sulfate

IUPAC Name: methyl N-[(2S)-1-[[(2S,3S)-3-hydroxy-4-[[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-[(4-pyridin-2-ylphenyl)methyl]amino]-1-phenylbutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate; sulfuric acid | CAS Registry Number: 229975-97-7
Synonyms: Reyataz, Atazanavir sulfate, Zrivada, Atanazavir sulfate, Reyataz (TN), Atazanavir sulfate [USAN], Atazanavir sulfate (JAN/USAN), BMS-232632-05, CGP-73547, CID158550, BMS-232632, LS-186585, D01276, 2,5,6,10,13-Pentaazatetradecanedioic acid, 3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-((4-(2-pyridinyl)phenyl)methyl)-, dimethyl ester, (3S,8S,9S,12S)-, sulfate (1:1) (salt), 2,5,6,10,13-Pentaazatetradecanedioic acid, 3-12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-((-4-(2-pyridinyl)phenyl)methyl)-, dimethyl ester, (3S,8S,9S,12S)-, sulfate (1:1) (salt), Dimethyl (3S,8S,9S,12S)-9-benzyl-3,12,di-tert-butyl-8-hydroxy-4,11-dioxo-6-(p-2-pyridylbenzyl)-2,5,6,10,13-pentaazatetradecanedioate, sulfate (1:1) (salt)

Molecular Formula:	C₃₈H₅₄N₆O₁₁S	Molecular Weight:	802.933960 [g/mol]
H-Bond Donor:	7	H-Bond Acceptor:	13

InChIKey: DQSGVVGOPRWTKI-QVFAWCHISA-N

• Azacyclonol Base

IUPAC Name: di(phenyl)-piperidin-4-ylmethanol | CAS Registry Number: 115-46-8
Synonyms: Azacyclonol, Frenquel, gamma-Pipradol, Prestwick_84, Azaciclonolo [DCIT], Azacyclonolum [INN-Latin], Azacyclonol [INN:BAN], Maybridge3_001033, Prestwick0_000093, Prestwick1_000093, Prestwick2_000093, Prestwick3_000093, alpha-(4-Piperidyl)benzhydrol, MER 17, Oprea1_114075, Oprea1_848733, BSPBio_000046, Diphenyl-piperidin-4-yl-methanol, MLS000558844, MLS001201777

Molecular Formula:	C₁₈H₂₁NO	Molecular Weight:	267.365440 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: ZMISODWVFHHWNR-UHFFFAOYSA-N

• Azafenidin

IUPAC Name: 2-(2,4-dichloro-5-prop-2-ynoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one | CAS Registry Number: 68049-83-2
Synonyms: Azafeniden, Isamidofos, Azafenidin [ISO], CID443029, C10895, 1,2,4-Triazolo(4,3-a)pyridin-3(2H)-one, 2-(2,4-dichloro-5-(2-propynyloxy)phenyl)-5,6,7,8-tetrahydro-

Molecular Formula:	C₁₅H₁₃Cl₂N₃O₂	Molecular Weight:	338.188620 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: XOEMATDHVZOBSG-UHFFFAOYSA-N

• Azamethiphos

IUPAC Name: 6-chloro-3-(dimethoxyphosphorylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one | CAS Registry Number: 35575-96-3
Synonyms: Snip, Azamethiophos, Azamethphos, Actogard, Azamethiphos [BAN], Actogard (TN), Azamethiphos (BAN), Ciba-Geigy 18809, C9H10ClN2O5PS, OMS No 1825, 45331_RIEDEL, CHEBI:38578, EINECS 252-626-0, CGA 18809, CID71482, BRN 1086470, AI3-29129, NCGC00163926-01, NCGC00163926-02, LS-108475

Molecular Formula:	C₉H₁₀ClN₂O₅PS	Molecular Weight:	324.677861 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: VNKBTWQZTQIWDV-UHFFFAOYSA-N

• Azimsulfuron

IUPAC Name: 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-methyl-4-(2-methyltetrazol-5-yl)pyrazol-3-yl]sulfonylurea | CAS Registry Number: 120162-55-2
Synonyms: Azimsulfuron [ISO], DPX 47, DPX-A 8947, IN-A 894, CID86355, A8947, A 8947, A-8947, LS-128559, 1H-Pyrazole-5-sulfonamide, N-(((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-, N-(((4,6-Dimethoxy-2-pyrimidinyl)amino)carbonyl)-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide

Molecular Formula:	C₁₃H₁₆N₁₀O₅S	Molecular Weight:	424.395140 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	11

InChIKey: MAHPNPYYQAIOJN-UHFFFAOYSA-N

• Azoxystrobin

IUPAC Name: methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate | CAS Registry Number: 131860-33-8
Synonyms: Heritage, Amistar, Quadris, Bankit, Azoxystrobine x, Icia 5504, Icia-5504, HSDB 7017, ICI-A 5504, CID3034285, EINECS Annex I Index 607-256-00-X, NCGC00163818-01, NCGC00163818-02, LS-28710, Methyl (E)-2-(2-(6-(2-cyanopheoxy)pyrimidin-4-yloxy)phenyl)-3-methoxypropenoate, Benzeneacetic acid, 2-((6-(2-cyanophenoxy)-4-pyrimidinyl)oxy)-alpha-(methoxymethylene)-, methyl ester, (E)-, methyl (2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyacrylate, METHYL (2Z)-2-(2-{[6-(2-CYANOPHENOXY)PYRIMIDIN-4-YL]OXY}PHENYL)-3-METHOXYACRYLATE, 215934-32-0, AZO

Molecular Formula:	C₂₂H₁₇N₃O₅	Molecular Weight:	403.387480 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	8

InChIKey: WFDXOXNFNRHQEC-GHRIWEEISA-N

• Balofloxacin

IUPAC Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)piperidin-1-yl]-4-oxoquinoline-3-carboxylic acid | CAS Registry Number: 127294-70-6
Synonyms: Balofloxacin [INN], AIDS097624, AIDS-097624, CID65958, Q 35, NCGC00167532-01, LS-141556, TL8000675, (+-)-1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-(methylamino)piperidino)-4-oxo-3-quinolinecarboxylic acid, 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-(methylamino)-1-piperidinyl)-4-oxo-, (+-)-1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-(methylamino)piperidino)-4-oxo-3-quinoline arboxylic acid

Molecular Formula:	C₂₀H₂₄FN₃O₄	Molecular Weight:	389.420663 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	8

InChIKey: MGQLHRYJBWGORO-UHFFFAOYSA-N

• BENPROPERINE PHOSPHATE CP2000

IUPAC Name: 1-[1-(2-benzylphenoxy)propan-2-yl]piperidine; phosphoric acid | CAS Registry Number: 19428-14-9
Synonyms: benproperine phosphate, Blascorid, Flaveric, Pirexyl phosphate, Pirexyl, Flaveric (TN), Benproperine phosphate (JAN), MLS001424068, Benproperine trihydrogen phosphate, NIOSH/TN1260200, EINECS 243-050-0, ASA 158-5, MolPort-005-934-830, HMS2051H03, EINECS 222-635-4, CID167811, CPD000469294, SAM001246739, SMR000469294, LS-115677

Molecular Formula:	C₂₁H₃₀NO₅P	Molecular Weight:	407.440361 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: MCVUURBOSHQXMK-UHFFFAOYSA-N

• Bensulfuron-methyl

IUPAC Name: methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate | CAS Registry Number: 83055-99-6
Synonyms: Londax, Bensulfuron methyl, Methyl bensulfuron, BENSULFURON-METHYL, Bensulfuron methyl ester, Bensulfuron-methyl [ISO], PS1082_SUPELCO, 37897_RIEDEL, DPX-F 5384, AIDS179822, EPA Pesticide Chemical Code 128820, AIDS-179822, NCGC00164284-01, NCGC00164284-02, LS-37156, F 5384, C10937, Methyl alpha-(4,6-dimethoxypyrimidin-2-ylcarbamoylsulfamoyl)-o-toluate, Benzoic acid, 2-((((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)methyl)-, methyl ester, methyl 2-{[({[(4,6-dimethoxypyrimidin-2-yl)amino]carbonyl}amino)sulfonyl]methyl}benzoate

Molecular Formula:	C₁₆H₁₈N₄O₇S	Molecular Weight:	410.401720 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	9

InChIKey: XMQFTWRPUQYINF-UHFFFAOYSA-N

• Benzofenap

IUPAC Name: 2-[4-(2,4-dichloro-3-methylbenzoyl)-2,5-dimethylpyrazol-3-yl]oxy-1-(4-methylphenyl)ethanone | CAS Registry Number: 82692-44-2
Synonyms: Yukawide, Benzofenap [ISO], MY-71, 2-(4-(2,4-Dichloro-m-toluoyl)-1,3-dimethylpyrazol-5-yloxy)-4'-methylacetophenone, Ethanone, 2-((4-(2,4-dichloro-3-methylbenzoyl)-1,3-dimethyl-1H-pyrazol-5-yl)oxy)-1-(4-methylphenyl)-, Benzofenap solution, SureCN55547, AC1L3SP9, AC1Q3N2H, AR-1H9066, AKOS015902941, LS-67322, C18555, 33226-EP2274983A1, 33226-EP2305655A2, 33226-EP2311815A1, 33226-EP2371823A1, I14-19841, 2-[[4-(2,4-Dichloro-3-methylbenzoyl)-1,3-dimethyl-1H-pyrazol-5-yl]oxy]-1-(4-methylphenyl)ethanone solution, 2-[4-(2,4-dichloro-3-methylbenzoyl)-2,5-dimethylpyrazol-3-yl]oxy-1-(4-methylphenyl)ethanone

Molecular Formula:	C₂₂H₂₀Cl₂N₂O₃	Molecular Weight:	431.311800 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: JDWQITFHZOBBFE-UHFFFAOYSA-N

• Benzoic acid,4-[[[[(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylene]amino]oxy]methyl]-,1,1-dimethylethyl ester

IUPAC Name: tert-butyl 4-[[(E)-(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylideneamino]oxymethyl]benzoate | CAS Registry Number: 111812-58-9
Synonyms: Fenpyroximate, Fenpyroximate [ISO], CHEBI:5011, 134098-61-6, NNI 850, t-Butyl (E)-alpha-(1,3-dimethyl-5-phenoxypyrazol-4-ylmethyleneaminooxy)-p-toluate (IUPAC), Benzoic acid, 4-(((((1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylene)amino)oxy)methyl)-, 1,1-dimethylethyl ester, (E)-, Benzoic acid, 4-((((E)-((1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylene)amino)oxy)methyl)-, 1,1-dimethylethyl ester, tert-butyl 4-[({[(1E)-(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylene]amino}oxy)methyl]benzoate, Danitron, Acari, Ortus, FujiMite, Naja, DL-Fenpyroximate, Fenpyroximate, DL, (Z,E)-Fenpyroximate, Fenpyroximate (Z,E), DSSTox_CID_12550, DSSTox_RID_78979

Molecular Formula:	C₂₄H₂₇N₃O₄	Molecular Weight:	421.488880 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: YYJNOYZRYGDPNH-MFKUBSTISA-N

• Benzophenone-1

IUPAC Name: (2,4-dihydroxyphenyl)-phenylmethanone | CAS Registry Number: 131-56-6
Synonyms: Benzoresorcinol, Resbenzophenone, 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, USAF ND-54

Molecular Formula:	C₁₃H₁₀O₃	Molecular Weight:	214.216700 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: ZXDDPOHVAMWLBH-UHFFFAOYSA-N

• Benzopyrrole

IUPAC Name: 1H-indole | CAS Registry Number: 120-72-9
Synonyms: indole, 1H-Indole, Ketole, Indol, 2,3-Benzopyrrole, 1-Azaindene, 1-Benzazole, 2,3-Benzopyrole, Indole (natural), Indol [German], Benzo[b]pyrrole, 1-Benzo(b)pyrrole, Caswell No. 498B, indole hydrochloride, 1H-Benzo[b]pyrrole, Indole (8CI), indole, 14C-labeled, 1H-Indole (9CI), FEMA No. 2593, CCRIS 4421

Molecular Formula:	C₈H₇N	Molecular Weight:	117.147880 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: SIKJAQJRHWYJAI-UHFFFAOYSA-N

• Benzyl Nicotinate

IUPAC Name: phenylmethyl pyridine-3-carboxylate | CAS Registry Number: 94-44-0
Synonyms: Benzyl nicotinate, Rubriment, Pycaril, Pykaryl, Benzylis nicotinas, Nicotinic acid benzyl ester, Niacin benzyl ester, Nicotinsaeurebenzylester, Benzyl nicotinate (JAN), Benzyl pyridine-3-carboxylate, Pyridin-3-carbonsaeurebenzylester, Phenylmethyl 3-pyridinecarboxylate, 72351_FLUKA, EINECS 202-332-3, NICOTINIC ACID, BENZYL ESTER, CID7191, 3-Pyridinecarboxylic acid, phenylmethyl ester, BRN 0159169, ZINC00391816, NCGC00166105-01

Molecular Formula:	C₁₃H₁₁NO₂	Molecular Weight:	213.231940 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: KVYGGMBOZFWZBQ-UHFFFAOYSA-N

• Beta Picoline

IUPAC Name: 3-methylpyridine | CAS Registry Number: 108-99-6
Synonyms: beta-Picoline, 3-Picoline, 3-METHYLPYRIDINE, m-Picoline, Pyridine, 3-methyl-, m-Methylpyridine, beta-Methylpyridine, 3-Methyl pyridine, .beta.-Picoline, 3-Mepy, .beta.-Methylpyridine, 3-Pyridylmethyl radical, CCRIS 1722, NCIOpen2_004641, P42053_ALDRICH, HSDB 4254, MLS001065607, 236276_ALDRICH, 80230_FLUKA, CHEBI:39922

Molecular Formula:	C₆H₇N	Molecular Weight:	93.126480 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: ITQTTZVARXURQS-UHFFFAOYSA-N

• Beta-Cyfluthrin

IUPAC Name: [cyano-[4-fluoro-3-(phenoxy)phenyl]methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate | CAS Registry Number: 68359-37-5
Synonyms: Baythroid, Cyfluthrine, Cyfoxylate, CYFLUTHRIN, Responsar, Syfrutrin, Cylence, Solfac, beta-Cyfluthrin, Baythroid H, Eulan SP, Cyfluthrin (BAN), Cyfluthrin [BAN], Tempo 2, Cylence (TN), Caswell No. 266E, Cyfluthrin [BSI:ISO], Bay-fcr 1272, Cyfluthine [ISO-French], PS1090_SUPELCO

Molecular Formula:	C₂₂H₁₈Cl₂FNO₃	Molecular Weight:	434.287623 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: QQODLKZGRKWIFG-UHFFFAOYSA-N

• Betahistine Dihydrochloride

IUPAC Name: N-methyl-2-pyridin-2-ylethanamine dihydrochloride | CAS Registry Number: 5579-84-0
Synonyms: Serc, Betaserc, Microser, Vasomotal, Antivom, Betahistine hydrochloride, Serc (TN), Betahistine dihydrochloride, PT 9, C8H12N2.HCl, Betahistine hydrochloride [USAN], SPECTRUM1500670, Betahistine hydrochloride (USP), EINECS 226-966-5, NCGC00095910-01, LS-131555, 2-(2-(Methylamino)ethyl)pyridine dihydrochloride, 2-Pyridineethanamine, N-methyl-, dihydrochloride, D03102, 5638-76-6

Molecular Formula:	C₈H₁₄Cl₂N₂	Molecular Weight:	209.116160 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	2

InChIKey: XVDFMHARQUBJRE-UHFFFAOYSA-N

• Betahistine Mesylate

IUPAC Name: methanesulfonic acid; N-methyl-2-pyridin-2-ylethanamine | CAS Registry Number: 54856-23-4
Synonyms: Meginalisk, Merislon, Riptonin, Extovyl, Melopat, Suzutolon, Betahistine mesilate, Betahistine mesylate, Suzutolon (TN), Betahistine mesilate (JP15), C8H12N2.2CH4O3S, EINECS 259-377-7, LS-131556, 2-Pyridineethanamine, N-methyl-, dimethanesulfonate, D01592, 2-(Ethylammonio)-N-methylpyridinium dimethanesulphonate, 5638-76-6

Molecular Formula:	C₁₀H₂₀N₂O₆S₂	Molecular Weight:	328.405600 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	8

InChIKey: ZBJJDYGJCNTNTH-UHFFFAOYSA-N

• BIFENAZATE; HYDRAZINE CARBOXYLIC ACID 2-(4-METHOXY-[1,1-BIPHENYL]-3-YL)-1 METHYLETHYL ESTER

IUPAC Name: propan-2-yl N-(2-methoxy-5-phenylanilino)carbamate | CAS Registry Number: 149877-41-8
Synonyms: Bifenazate, Floramite, Bifenazate [ISO], HSDB 7002, CCRIS 9247, CHEBI:38660, EPA Pesticide Chemical Code 000586, CID176879, D2341, NCGC00163782-01, NCGC00163782-02, LS-76676, D 2341, isopropyl 2-(4-methoxybiphenyl-3-yl)hydrazinecarboxylate, Hydrazinecarboxylic acid, 2-(4-methoxy(1,1'-biphenyl)-3-yl)-, 1-methylethyl ester, isopropyl 2-(4-methoxy[1,1'-biphenyl]-3-yl)hydrazinecarboxylate, propan-2-yl 2-(4-methoxy[1,1'-biphenyl]-3-yl)hydrazinecarboxylate, 2-(4-methoxy(1,1'-biphenyl)-3-yl)hydrazinecarboxylic acid 1-methylethyl ester

Molecular Formula:	C₁₇H₂₀N₂O₃	Molecular Weight:	300.352300 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: VHLKTXFWDRXILV-UHFFFAOYSA-N

• Bis (1,2-triethoxysilyl) Ethane

IUPAC Name: triethoxy(2-triethoxysilylethyl)silane | CAS Registry Number: 16068-37-4
Synonyms: EINECS 240-212-2, 1,2-Bis(triethoxysilyl)ethane, 447250_ALDRICH, CID85266, LS-62222, 4,4,7,7-Tetraethoxy-3,8-dioxa-4,7-disiladecane, 3,8-Dioxa-4,7-disiladecane, 4,4,7,7-tetraethoxy-

Molecular Formula:	C₁₄H₃₄O₆Si₂	Molecular Weight:	354.587160 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: IZRJPHXTEXTLHY-UHFFFAOYSA-N

• Bis (2-Dimethylaminoethyl)Ether

IUPAC Name: 2-(2-dimethylaminoethyloxy)-N,N-dimethylethanamine | CAS Registry Number: 3033-62-3
Synonyms: Niax catalyst al, Kalpur PC, Toyocat ET, Toyocat ETS, Niax A 1, Niax A 4, Texacat ZF 20, Dabco BL 19I, Dabco BL 11, Dabco BL 19, A 99 (Amine), Niax A 99, Bis(2-dimethylaminoethyl)ether, 2-(Dimethylamino)ethyl ether, 667609_ALDRICH, 2,2'-Oxybis(N,N-dimethylethylamine), Bis(2-(dimethylamino)ethyl) ether, Ethanamine, 2,2'-oxybis[N,N-dimethyl-, EINECS 221-220-5, Ethylamine, 2,2'-oxybis[N,N-dimethyl-

Molecular Formula:	C₈H₂₀N₂O	Molecular Weight:	160.257200 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: GTEXIOINCJRBIO-UHFFFAOYSA-N

• Bis(2-Methyl-3-Furyl) Disulfide

IUPAC Name: 2-methyl-3-(2-methylfuran-3-yl)disulfanylfuran | CAS Registry Number: 28588-75-2
Synonyms: 2-Methyl-3-furyl disulfide, FEMA No. 3259, bis(2-methyl-3-furanyl) disulfide, 3,3'-Dithiobis(2-methylfuran), bis(2-Methyl-3-furyl) disulfide, ZINC02572461, bis(2-methyl-3-furyl) disulphide, Furan, 3,3'-dithiobis(2-methyl-, EINECS 249-095-2, 3,3'-Dithio-2,2'-dimethyldifuran, CID526624, LS-179446

Molecular Formula:	C₁₀H₁₀O₂S₂	Molecular Weight:	226.315200 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: OHDFENKFSKIFBJ-UHFFFAOYSA-N

• Bis(dibenzylideneacetone) palladium(0)

IUPAC Name: 1,5-diphenylpenta-1,4-dien-3-one; palladium | CAS Registry Number: 32005-36-0
Synonyms: Bis((1,2,4,5-eta)-1,5-diphenyl-1,4-pentadien-3-one)palladium, Palladium, bis((1,2,4,5-eta)-1,5-diphenyl-1,4-pentadien-3-one)-

Molecular Formula:	C₃₄H₂₈O₂Pd	Molecular Weight:	575.004920 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: UKSZBOKPHAQOMP-UHFFFAOYSA-N

• Bis(pentamethylene)thiuram Tetrasulfide

IUPAC Name: piperidine-1-carbothioylsulfanyldisulfanyl piperidine-1-carbodithioate | CAS Registry Number: 120-54-7
Synonyms: Thiuram MT, Tetrone A, Nocceler TRA, Noksera TRA, Sulfads, Sanceler TRA, Tetron A, Soxinol TRA, USAF B-31, Dipentamethylenethiuram tetrasulfide, Bis(pentamethylene)thiuram tetrasulfide, Bis(piperidinothiocarbonyl) tetrasulfide, NSC4823, Tetrasulfide, bis(piperidinothiocarbonyl), Tetrasulfide, bis(pentamethylenethiuram)-, NSC 4823, WLN: T6NTJ AYUS&SS 2, EINECS 204-406-0, Dipentamethylenethiuram hexasulfide, AIDS123986

Molecular Formula:	C₁₂H₂₀N₂S₆	Molecular Weight:	384.690600 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: VNDRMZTXEFFQDR-UHFFFAOYSA-N

• Bis(tert-Butyldioxyisopropyl)benzene

IUPAC Name: 1,4-bis(2-tert-butylperoxypropan-2-yl)benzene | CAS Registry Number: 25155-25-3
Synonyms: Peroximon F 40, Peroximon F 100, Perkadox 14/40C, Perkadox U 14/40, HSDB 5895, EINECS 220-479-1, CID17721, BIS T-BUTYLDIOXYISOPROPYLBENZENE, NCGC00164183-01, LS-29143, 1,4-Bis(alpha-(tert-butyldioxy)isopropyl)benzene, Peroxide, (p-phenylenediisopropylidene)bis(tert-butyl, 1,4-BIS(ALPHA-(T-BUTYLDIOXY)ISOPROPYL)BENZENE, alpha,alpha'-Bis(tert-butyldioxy)-p-diisopropylbenzene, alpha,alpha'-Bis(tert-butylperoxy)-p-diisopropylbenzene, alpha,alpha'-Bis(tert-butylperoxy)-1,4-diisopropylbenzene, Peroxide, (1,4-phenylenebis(1-methylethylidene))bis((1,1-dimethylethyl), Peroxide, (1,4-phenylenebis(1-methylethylidene))bis-(1,1-dimethylethyl), Di-tert-butyl alpha,alpha,alpha',alpha'-tetramethyl-(p-phenylenedimethylene) diperoxide, Peroxide, [1,4-phenylenebis(1-methylethylidene)]bis[(1,1-dimethylethyl)

Molecular Formula:	C₂₀H₃₄O₄	Molecular Weight:	338.481560 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: GWQOYRSARAWVTC-UHFFFAOYSA-N

• Bis(trimethylsiloxy)methylsilane

IUPAC Name: methyl-bis(trimethylsilyloxy)silicon | CAS Registry Number: 1873-88-7
Synonyms: 1,1,1,3,5,5,5-Heptamethyltrisiloxane, 370886_ALDRICH, EINECS 217-496-1, CID6327366, Trisiloxane, 1,1,1,3,5,5,5-heptamethyl-

Molecular Formula:	C₇H₂₁O₂Si₃	Molecular Weight:	221.496940 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: SWGZAKPJNWCPRY-UHFFFAOYSA-N

• Bis(Trimethylsilyl) Acetamide(BSA)

IUPAC Name: trimethylsilyl N-trimethylsilylethanimidate | CAS Registry Number: 10416-59-8
Synonyms: BSA?, N,O-Bis(trimethylsilyl)acetamide, 128910_ALDRICH, 367451_ALDRICH, 394831_ALDRICH, 15256_FLUKA, 15269_FLUKA, EINECS 233-892-7, BRN 1306669, Trimethylsilyl N-trimethylsilylacetamidate, LS-13027, Ethanimidic acid, N-(trimethylsilyl)-, trimethylsilyl ester, ACETIMIDIC ACID, N-(TRIMETHYLSILYL)-, TRIMETHYLSILYL ESTER, N-(Trimethylsilyl)acetimidic acid, trimethylsilyl ester, BSA

Molecular Formula:	C₈H₂₁NOSi₂	Molecular Weight:	203.429440 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: SIOVKLKJSOKLIF-CMDGGOBGSA-N

• Bis-[3-(Triethoxysilyl)propyl]amine

IUPAC Name: 3-triethoxysilyl-N-(3-triethoxysilylpropyl)propan-1-amine | CAS Registry Number: 13497-18-2
Synonyms: Bis(triethoxysilylpropyl)amine, Bis(3-triethoxysilylpropyl)amine, Bis(3-(triethoxysilyl)propyl)amine, CID83535, EINECS 236-818-1, 1-Propanamine, 3-(triethoxysilyl)-N-(3-(triethoxysilyl)propyl)-, 1-Propanamine, 3-(triethoxysilyl)-N-[3-(triethoxysilyl)propyl]-

Molecular Formula:	C₁₈H₄₃NO₆Si₂	Molecular Weight:	425.708120 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	7

InChIKey: RWLDCNACDPTRMY-UHFFFAOYSA-N

• Bispyribac-Sodium

IUPAC Name: sodium;2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate | CAS Registry Number: 125401-92-5
Synonyms: Bispyribac-sodium, Bispyribac sodium, Bispyribac-sodium [ISO:BSI], EPA Chemical Code 078906, KIH-2023, V 10029, Nanogen Index code is BPY (3-031), Sodium 2,6-bis((4,6-dimethoxypyrimidin-2-yl)oxy)benzoate, sodium 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate, Sodium 2,6-bis(4,6-dimethoxy-2-pyrimidinyl)xoy)benzoate, Benzoic acid, 2,6-bis((4,6-dimethoxy-2-pyrimidinyl)oxy)-, sodium salt, Designee, Nominee, Regiment, Short-keep, Nominee 400SC, Bispyribac sodium salt, SureCN116404, DSSTox_CID_14383, DSSTox_RID_79151

Molecular Formula:	C₁₉H₁₇N₄NaO₈	Molecular Weight:	452.350049 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	12

InChIKey: FUHMZYWBSHTEDZ-UHFFFAOYSA-M

• BLACK MARKING DYE

Synonyms: 2,6-bis(4-carboxylato-2-pyridyl)pyridine-4-carboxylate, ruthenium(II), tetrabutylammonium, triisothiocyanate

Molecular Formula:	C₃₇H₄₄N₇O₆RuS₃-₃	Molecular Weight:	880.100 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	15

InChIKey: USXOLPFDCBFPDY-UHFFFAOYSA-K

• Bromacil

IUPAC Name: 5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione | CAS Registry Number: 314-40-9
Synonyms: Bromazil, Borocil, Cynogan, Hyvarex, Istemul, Ureabor, Bromax, Nalkil, Uragan, Uragon, Borea, Hibor, Hyvar, BROMACIL, Urox ha, Urox-hx, Hyvar X bromacil, Krovar II, Hyvar X, Urox B

Molecular Formula:	C₉H₁₃BrN₂O₂	Molecular Weight:	261.115720 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: CTSLUCNDVMMDHG-UHFFFAOYSA-N

• Bromotrimethylsilane

IUPAC Name: bromo(trimethyl)silane | CAS Registry Number: 2857-97-8
Synonyms: Trimethylbromosilane, Trimethylsilyl bromide, Trimethylsilicon bromide, Silane, bromotrimethyl-, TMBS, 194409_ALDRICH, CID76113, EINECS 220-672-0, NSC139857, NSC 139857, TL8002083

Molecular Formula:	C₃H₉BrSi	Molecular Weight:	153.093060 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: IYYIVELXUANFED-UHFFFAOYSA-N

• Bromotris(triphenylphosphine)rhodium

IUPAC Name: rhodium; triphenylphosphane; bromide | CAS Registry Number: 14973-89-8
Synonyms: CID84736, EINECS 239-050-5

Molecular Formula:	C₅₄H₄₅BrP₃Rh-	Molecular Weight:	969.665883 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: HVQBRJSQQWBTDF-UHFFFAOYSA-M

• Bupivacaine HCl

IUPAC Name: 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide hydrochloride | CAS Registry Number: 14252-80-3
Synonyms: Carbostesin, Sensorcaine, Marcaine, Bupivacaine hydrochloride, Marcain, Marcaine Spinal, Prestwick_894, LAC-43, (+-)-Bupivacaine hydrochloride, Bupicacain hydrochlorid-1-wasser, MLS002154259, B5274_SIGMA, SPECTRUM1503818, LAC 43, Bupivacaine hydrochloride [JAN], EINECS 241-917-8, Bupivacaine hydrochloride [USAN], DRG-0278, Bupivacaine hydrochloride monohydrate, SBB001337

Molecular Formula:	C₁₈H₂₉ClN₂O	Molecular Weight:	324.888660 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: SIEYLFHKZGLBNX-UHFFFAOYSA-N

• Butylpyridinium bromide

IUPAC Name: 1-butylpyridin-1-ium;bromide | CAS Registry Number: 874-80-6
Synonyms: 1-Butylpyridinium bromide, 1-butylpyridin-1-ium bromide, ACMC-209qnu, N-Butylpyridinium bromide, SureCN382846, AC1MC0O8, DSSTox_CID_27909, DSSTox_RID_82662, DSSTox_GSID_47933, KSC491C7L, 00285_FLUKA, CTK3J1175, MolPort-020-002-009, Tox21_200610, ANW-38824, AKOS015833019, AG-H-53078, NCGC00258164-01, CAS-874-80-6, K561

Molecular Formula:	C₉H₁₄BrN	Molecular Weight:	216.118160 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: KVBQNFMTEUEOCD-UHFFFAOYSA-M

• Butylpyridinium chloride

IUPAC Name: 1-butylpyridin-1-ium | CAS Registry Number: 1124-64-7
Synonyms: n-Butylpyridinium, Pyridinium, 1-butyl-, n-Butylpyridinium chloride, CID193832, ZINC02528007, 45806-95-9

Molecular Formula:	C₉H₁₄N+	Molecular Weight:	136.214160 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: REACWASHYHDPSQ-UHFFFAOYSA-N

• CAPS [3-Cyclohexylamino-1-propanesulfonic Acid]

IUPAC Name: 3-(cyclohexylamino)propane-1-sulfonic acid | CAS Registry Number: 1135-40-6
Synonyms: CAPS, CAPS buffer solution, C2632_SIGMA, C6070_SIGMA, 29337_FLUKA, 82606_FLUKA, 82607_FLUKA, 82608_FLUKA, Buffer solution HPCE pH 10.0, Buffer solution HPCE pH 10.5, Buffer solution HPCE pH 11.0, EINECS 214-492-1, Cyclohexylaminopropanesulfonic acid, 3-(Cyclohexylamino)-1-propanesulfonic acid, BRN 2835588, 3-Cyclohexylaminopropane-1-sulphonic acid, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, DB02219, N-Cyclohexyl-3-aminopropanesulfonic acid, 1-Propanesulfonic acid, 3-(cyclohexylamino)-

Molecular Formula:	C₉H₁₉NO₃S	Molecular Weight:	221.317060 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: PJWWRFATQTVXHA-UHFFFAOYSA-N

• Carbonyl triphenylphosphine rhodium hydride

IUPAC Name: carbon monoxide; hydride; rhodium; triphenylphosphane | CAS Registry Number: 17185-29-4
Synonyms: CID86980, EINECS 241-230-3, Carbonylhydrotris(triphenylphosphine)rhodium, Tristriphenylphosphine rhodium carbonyl hydride, Rhodium, carbonylhydrotris(triphenylphosphine)-, (TB-5-23)-, 64665-44-7

Molecular Formula:	C₅₅H₄₆OP₃Rh-	Molecular Weight:	918.779923 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: LNIBUINQDXTYPF-UHFFFAOYSA-N