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• Atracurium Besylate

IUPAC Name: benzenesulfonate; benzenesulfonate; 5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate | CAS Registry Number: 64228-81-5
Synonyms: Tracrium, Atracurium besylate, Atracurium besilate, Atracurium, Nimbex, Tracrium (TN), Ambap2477, Tracrium Preservative Free, Atracurium besilate (INN), Atracurium besylate (USP), Atracurii besilas [INN-Latin], BW 33A, BW-33A, Atracurium besylate [USAN:BAN], A7604_SIGMA, BW 33 A, Besilate d'atracurium [INN-French], EINECS 264-743-4, Besilato de atracurio [INN-Spanish], C53H72N2O12

Molecular Formula:	C₆₅H₈₂N₂O₁₈S₂	Molecular Weight:	1243.479180 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	18

InChIKey: XXZSQOVSEBAPGS-UHFFFAOYSA-L

• Aucubin

IUPAC Name: (2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol | CAS Registry Number: 479-98-1
Synonyms: Ambap2262, MEGxp0_001729, 55561_FLUKA, ACon1_002452, EINECS 207-540-8, AIDS031379, NSC 407293, AIDS-031379, CID91458, LMPR01020107, NSC407293, ZINC04098334, NCGC00169833-01, LS-183147, C09771, 1,4a,5,7a-Tetrahydro-5-hydroxy-7-hydroxymethylcyclopenta(c)pyran-1-yl-beta-D-glucopyranoside, (1S-(1alpha,4aalpha,5alpha,7aalpha))-1,4a,5,7a-Tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta(c)pyran-1-yl-beta-D-glucopyranoside, (2S,3R,4S,5S,6R)-2-((1S,4aR,5R,7aS)-5-Hydroxy-7-hydroxymethyl-1,4a,5,7a-tetrahydro-cyclopenta[c]pyran-1-yloxy)-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol

Molecular Formula:	C₁₅H₂₂O₉	Molecular Weight:	346.329780 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	9

InChIKey: RJWJHRPNHPHBRN-FKVJWERZSA-N

• Azelastine HCI

IUPAC Name: 4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)phthalazin-1-one hydrochloride | CAS Registry Number: 79307-93-0
Synonyms: Astelin, Azeptin, Optivar, Allergodil, Radethazin, Corifina, Optilast, Rhinolast, Astepro, Afluon, Azep, AZELASTINE HCl, Astelin (TN), AZELASTINE HYDROCHLORIDE, Azelastine monohydrochloride, C22H24ClN3O.HCl, MLS001401427, SPECTRUM1505340, W-2979M, Azelastine hydrochloride [USAN:JAN]

Molecular Formula:	C₂₂H₂₅Cl₂N₃O	Molecular Weight:	418.359400 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: YEJAJYAHJQIWNU-UHFFFAOYSA-N

• Azelnidipine

IUPAC Name: 3-O-[1-[di(phenyl)methyl]azetidin-3-yl] 5-O-propan-2-yl 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate | CAS Registry Number: 123524-52-7
Synonyms: Calblock, Azelnidipine [INN], Calblock (TN), Azelnidipine (JAN/INN), CS 905, CS-905, C33H34N4O6, CID65948, RS-9054, NCGC00167436-01, LS-131184, D01145, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-amino-6-methyl-4-(3-nitrophenyl)-, 3-(1-(diphenylmethyl)-3-azetidinyl) 5-(1-methylethyl) ester, (+-)-, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-amino-6-methyl-4-(3-nitrophenyl)-, 3-(1-(diphenylmethyl)-3-azetidinyl)-5-(1-methylethyl) esster, (+-)-, 3,5-Pyridinedicarboxylic acid, 2-amino-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-, 3-(1-(diphenylmethyl)-3-azetidinyl) 5-(1-methylethyl) ester, (+-)-, 3-(1-(Diphenylmethyl)-3-azetidinyl) 5-isopropyl (+-)-2-amino-1,4-dihydro-6-methyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate, 3-[1-(diphenylmethyl)azetidin-3-yl] 5-(1-methylethyl) 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-amino-6-methyl-4-(3-nitrophenyl)-,3-(1-(diphenylmethyl)-3-azetidinyl)-5-(1-methylethyl) esster, (+-)-, 3-(1-diphenylmethylazetidin-3-yl)-5-isopropyl-2-amino-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate

Molecular Formula:	C₃₃H₃₄N₄O₆	Molecular Weight:	582.646260 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	9

InChIKey: ZKFQEACEUNWPMT-UHFFFAOYSA-N

• Azosemide

IUPAC Name: 2-chloro-5-(2H-tetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide | CAS Registry Number: 27589-33-9
Synonyms: azosemide, Azosemid, Diart, Luret, Diart (TN), Azosemidum [INN-Latin], Azosemida [INN-Spanish], Azosemide [USAN:INN:JAN], PLE 1053, Azosemide (JAN/USAN/INN), C12H11ClN6O2S2, CHEBI:31248, EINECS 248-549-7, CID2273, SK-110, BRN 1178491, SK 110, BM 02.001, NCGC00181340-01, LS-147761

Molecular Formula:	C₁₂H₁₁ClN₆O₂S₂	Molecular Weight:	370.837740 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	8

InChIKey: HMEDEBAJARCKCT-UHFFFAOYSA-N

• Aztreonam

IUPAC Name: 2-[[1-(2-amino-1,3-thiazol-4-yl)-2-[[(2S,3S)-2-methyl-4-oxo-1-sulfoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoic acid | CAS Registry Number: 78110-38-0
Synonyms: aztreonam, Azactam, Primbactam, Prestwick_914, Prestwick2_000185, Prestwick3_000185, BSPBio_000109, NSC646279, BPBio1_000121, AIDS013397, AIDS-013397, CID5742832, NCGC00179656-01, SQ-26776, [2S-[2alpha,3beta(Z)]]-2-[[[1-(2-Amino-4-thiazolyl)-2-[(2-methyl-4-oxo-1-sulfo-3-azetidinyl)amino]-2-oxoethylidene]amino]oxy]-2-methylpropanoic acid, 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-{[(2S,3S)-2-methyl-4-oxo-1-sulfoazetidin-3-yl]amino}-2-oxoethylidene]amino}oxy)-2-methylpropanoic acid

Molecular Formula:	C₁₃H₁₇N₅O₈S₂	Molecular Weight:	435.432780 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	11

InChIKey: WZPBZJONDBGPKJ-VEHQQRBSSA-N

• Baicalein

IUPAC Name: 5,6,7-trihydroxy-2-phenylchromen-4-one | CAS Registry Number: 491-67-8
Synonyms: baicalein, 5,6,7-Trihydroxyflavone, Biacalein, Sho-saiko-to, nchembio.65-comp3, Spectrum_000427, Tocris-1761, SpecPlus_000758, Spectrum2_000466, Spectrum3_001608, Spectrum4_000537, Spectrum5_001418, Oprea1_765614, BSPBio_003215, KBioGR_001173, KBioSS_000907, DivK1c_006854, SPECTRUM1504002, SPBio_000572, NSC661431

Molecular Formula:	C₁₅H₁₀O₅	Molecular Weight:	270.236900 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: FXNFHKRTJBSTCS-UHFFFAOYSA-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

• Balsalazide disodium dihydrate

IUPAC Name: disodium (3Z)-3-[[4-[(3-oxido-3-oxopropyl)carbamoyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylate dihydrate | CAS Registry Number: 150399-21-6
Synonyms: Colazide, Balsalazide Disodium, Colazide (TN), Balsalazide disodium hydrate, Balsalazide disodium (USAN), Balsalazide disodium [USAN], D02715, Benzoic acid, 5-((1E)-(4-(((2-carboxyethyl)amino)carbonyl)phenyl)azo)-2-hydroxy-, disodium salt, dihydrate

Molecular Formula:	C₁₇H₁₇N₃Na₂O₈	Molecular Weight:	437.311720 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	10

InChIKey: HYSVUPBQPCRAJM-PIFVRXTCSA-L

• Bambermycin

IUPAC Name: (2S,3S,4R,5R,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-methyl-5-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2-hydroxy-5-oxocyclopenten-1-yl)carbamoyl]oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4-carbamoyloxy-3-hydroxy-6-[hydroxy-[(2R)-2-hydroxy-3-oxo-3-[(3E,7E,14E)-4,9,9,15,19-pentamethyl-12-methylideneicosa-3,7,14,18-tetraenoxy]propoxy]phosphoryl]oxy-3-methyloxane-2-carboxylic acid | CAS Registry Number: 11015-37-5
Synonyms: Bambermycins, Flavomycin, Flavofosfolipol, Moenomycin, Menomycin, Gainpro, Flavophospholipol, Flavomycins, Moenomycins, Flavophospholipols, Flavomycin (TN), Bambermycins [USAN], MOENOMYCIN A, Bambermycins (USAN), Bambermycine [INN-French], Bambermycinum [INN-Latin], Bambermicina [INN-Spanish], EINECS 234-246-7, C70H109N4O35P, NCGC00181293-01

Molecular Formula:	C₇₀H₁₀₉N₄O₃₅P	Molecular Weight:	1597.594021 [g/mol]
H-Bond Donor:	18	H-Bond Acceptor:	35

InChIKey: FUIOWSNNCWZETH-NAMXWVJMSA-N

• Barium Azide

IUPAC Name: barium(2+) diazide | CAS Registry Number: 18810-58-7
Synonyms: Barium azide, Barium azide (Ba(N3)2), EINECS 242-594-6, UN0224, UN1571, LS-24675, Barium azide, dry or wetted with <50% water, by mass [UN0224] [Explosive 1.1A], Barium azide, dry or wetted with <50% water, by mass [UN0224] [Explosive 1.1A], Barium azide, wetted with not <50% water, by mass [UN1571] [Flammable solid], Barium azide, wetted with not <50% water, by mass [UN1571] [Flammable solid], 103059-92-3

Molecular Formula:	BaN₆	Molecular Weight:	221.367200 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: UUXFWHMUNNXFHD-UHFFFAOYSA-N

• Barium Phytate

IUPAC Name: barium;(2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate | CAS Registry Number: 90940-73-1
Synonyms: Phytic acid hexabarium salt, Inositol hexaphosphoric acid, P2148_SIGMA

Molecular Formula:	C₆H₁₈BaO₂₄P₆	Molecular Weight:	797.362292 [g/mol]
H-Bond Donor:	12	H-Bond Acceptor:	24

InChIKey: XCYNFNMVMQAUOY-UHFFFAOYSA-N

• Basic violet 14

IUPAC Name: 4-[(4-aminophenyl)-(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]aniline | CAS Registry Number: 3248-93-9
Synonyms: Rosaniline, para-Rosaniline, Rosaniline base, Fuchsive base, Fuchsine Base, Fuchsin (basic), Waxoline Red A, Basic fuchsin, Fuchsine HF Base, Magenta I, Fuchsine SPC, MAGENTA BASE, CI Solvent Red 41, C.I. Solvent Red 41, Brilliant Oil Crimson Base, C.I. Basic Violet 14, NCIMech_000176, Neuro_000040, C.I. 42510 acetate, HSDB 2955

Molecular Formula:	C₂₀H₁₉N₃	Molecular Weight:	301.384960 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: YDCMWLQSPFTWCS-UHFFFAOYSA-N

• Benazepril

IUPAC Name: 2-[(3S)-3-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid | CAS Registry Number: 86541-75-5
Synonyms: benazepril, Lotrel, benazapril, benzazepril, Lotensin, Mixture Name, Benazepril Sandoz, Benazeprilum [Latin], Benazepril (INN), Forteekor [veterinary], Spectrum_001922, Benazepril [INN:BAN], Benazepril Sandoz (TN), Spectrum2_000482, Spectrum3_001674, Spectrum4_000286, Spectrum5_001546, BSPBio_003487, KBioGR_000812, KBioSS_002464

Molecular Formula:	C₂₄H₂₈N₂O₅	Molecular Weight:	424.489520 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: XPCFTKFZXHTYIP-PMACEKPBSA-N

• Benfotiamine

IUPAC Name: S-[(Z)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-phosphonooxypent-2-en-3-yl] benzenecarbothioate | CAS Registry Number: 22457-89-2
Synonyms: benfotiamine, Benphothiamine, Nitanevril, Vitanevril, Betivina, Biotamin, Neurostop, Tabiomyl, Berdi, benfothiamine, BTMP-benfo, BTMP, Prestwick_68, Benfotiaminum [INN-Latin], Benfotiamina [INN-Spanish], Benzoylthiamine monophosphate, Prestwick2_000654, Prestwick3_000654, Thiamine monophosphate benzoyl, S-Benzoylthiamine O-monophosphate

Molecular Formula:	C₁₉H₂₃N₄O₆PS	Molecular Weight:	466.447881 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	9

InChIKey: BTNNPSLJPBRMLZ-LGMDPLHJSA-N

• Benidipine hydrochloride

IUPAC Name: 5-O-methyl 3-O-[(3R)-1-(phenylmethyl)piperidin-3-yl] (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate | CAS Registry Number: 105979-17-7
Synonyms: Benidipene, Benidipine, Benidipine (INN), D07509, methyl (3R)-1-(phenylmethyl)piperidin-3-yl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Molecular Formula:	C₂₈H₃₁N₃O₆	Molecular Weight:	505.562240 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: QZVNQOLPLYWLHQ-ZEQKJWHPSA-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

• Benserazide Hydrochloride

IUPAC Name: 2-amino-3-hydroxy-N'-[(2,3,4-trihydroxyphenyl)methyl]propanehydrazide hydrochloride | CAS Registry Number: 14919-77-8
Synonyms: BENSERAZIDE HYDROCHLORIDE, Benzerazide hydrochloride, Madopa (Hoffmann-LaRoche), CCRIS 5092, MLS000028424, MLS001148252, B7283_SIGMA, C10H15N3O5.HCl, SPECTRUM1500137, EINECS 238-991-9, Benserazide hydrochloride (JP15), CID26964, Ro 4-4602/001, NCGC00093698-01, NCGC00093698-02, NCGC00093698-03, NCGC00093698-04, NCGC00093698-05, SMR000058421, LS-145026

Molecular Formula:	C₁₀H₁₆ClN₃O₅	Molecular Weight:	293.704140 [g/mol]
H-Bond Donor:	8	H-Bond Acceptor:	7

InChIKey: ULFCBIUXQQYDEI-UHFFFAOYSA-N

• Benzenamine,3-methyl-4-(1-Pyrrolidinyl)

IUPAC Name: 3-methyl-4-pyrrolidin-1-ylaniline | CAS Registry Number: 16089-43-3
Synonyms: EINECS 240-243-1, 3-Methyl-4-(pyrrolidin-1-yl)aniline, N-(4-Amino-2-methylphenyl)pyrrolidine, Benzenamine, 3-methyl-4-(1-pyrrolidinyl)-

Molecular Formula:	C₁₁H₁₆N₂	Molecular Weight:	176.258140 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: HXGBHCCAZHQXQV-UHFFFAOYSA-N

• Benzenediazonium,3-Methyl-4-(1-Pyrrolielinyl)

IUPAC Name: 3-methyl-4-pyrrolidin-1-ylbenzenediazonium; tetrachlorozinc(2-) | CAS Registry Number: 52572-38-0
Synonyms: EINECS 248-534-5, 4-Pyrrolidinyl-m-toluenediazonium tetrachlorozincate (2:1), 4-Pyrrolidino-3-methylbenzenediazonium chloride zinc chloride, 4-(1-Pyrrolidinyl)-m-toluenediazonium tetrachlorozincate(2-) (2:1), N-(4-Diazonium-2-methylphenyl)pyrrolidine, zinc chloride (2:1), 3-Methyl-4-pyrrolidinobenzenediazonium chloride, zinc chloride double salt, 4-(1'-Pyrrolidyl)-3-methyl benzene diazonium chloride, half zinc chloride salt, Benzenediazonium, 3-methyl-4-(1-pyrrolidinyl)-, (T-4)-tetrachlorozincate(2-) (2:1), 27569-10-4, 38233-81-7

Molecular Formula:	C₂₂H₂₈Cl₄N₆Zn	Molecular Weight:	583.718920 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: GQDIZYZEIVCQTE-UHFFFAOYSA-J

• Benzhydrylidene methylamine

IUPAC Name: N-methyl-1,1-diphenylmethanimine | CAS Registry Number: 13280-16-5
Synonyms: N-(Diphenylmethylene)methanamine, ZINC02391905, Benzophenone, methylimine, AC1Q4SZJ, Benzhydrylidene methylamine;, benzhydrylidene-methyl-amine, AC1LB54P, benzylhydrylidine methylamine, CTK8F7962, N-methyl-1,1-diphenylmethanimine, AR-1J9989, AKOS006345218, AC-6570, AG-J-49276, KB-47574, I14-39263

Molecular Formula:	C₁₄H₁₃N	Molecular Weight:	195.259720 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: CCMGSLBRZVENEP-UHFFFAOYSA-N

• Benzhydrylsulfanyl acetic acid

IUPAC Name: 2-[di(phenyl)methylsulfanyl]acetate | CAS Registry Number: 63547-22-8
Synonyms: ZINC02616117, CID2077885

Molecular Formula:	C₁₅H₁₃O₂S-	Molecular Weight:	257.327520 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: HTHFEDOFDBZPRX-UHFFFAOYSA-M

• Benzo (b)pyridine sulfate

IUPAC Name: quinoline;sulfuric acid | CAS Registry Number: 54957-90-3
Synonyms: QUINOLINE SULFATE, Quinoline bisulfate, Quinoline sulfate (1:1), Quinolinium hydrogen sulphate, EINECS 208-492-0, 530-66-5, Quinoline Sulphate, Quinoline, sulfate, quinoline; sulfuric acid, AC1L1VUT, SureCN21535, Quinoline sulfate (1:1);, KSC233K3T, CTK1D3539, BENZO (B)PYRIDINE SULFATE, LS-189, AKOS015856624, AG-F-81614, AG-F-91796, QUINOLINE SULFATE (SEE ALSO QUINOLINE (CAS 91-22-5))

Molecular Formula:	C₉H₉NO₄S	Molecular Weight:	227.237060 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: WSZKUEZEYFNPID-UHFFFAOYSA-N

• Benzobarbitone

IUPAC Name: 1-(benzoyl)-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione | CAS Registry Number: 744-80-9
Synonyms: Benzobarbital, Benzoylluminal, Benzoyluminal, Benzonalum, Benzonal, Benzoylphenobarbital, Benzobarbital [INN], Benzobarbitalum [INN-Latin], Oprea1_179037, C19H16N2O4, CID12938, BRN 0627140, 1-Benzoyl-5-ethyl-5-phenylbarbituric acid, 5-Ethyl-1-benzoyl-5-phenylbarbituric acid, NCGC00160414-01, LS-23803, N-Benzoyl-5-ethyl-5-phenylbarbituric acid, BARBITURIC ACID, 1-BENZOYL-5-ETHYL-5-PHENYL-, 5-24-09-00293 (Beilstein Handbook Reference), 1-Benzoyl-5-ethyl-5-phenyl-2,4,6-trioxohexahydropyrimidine

Molecular Formula:	C₁₉H₁₆N₂O₄	Molecular Weight:	336.341340 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: QMOWPJIFTHVQMB-UHFFFAOYSA-N

• Benzoic acid dodecylester

IUPAC Name: dodecyl benzoate | CAS Registry Number: 2915-72-2
Synonyms: Dodecyl benzoate, Lauryl benzoate, Benzoic acid, dodecyl ester, C12-15 Alkyl benzoate, EINECS 220-837-7, EINECS 270-112-4, Benzoic acid, C12-15 alkyl esters, Benzoic acid, C12-15-alkyl esters, Alkyl (C12-15) Benzoate [USAN], 27615-31-2, 68411-27-8

Molecular Formula:	C₁₉H₃₀O₂	Molecular Weight:	290.440300 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: DLAHAXOYRFRPFQ-UHFFFAOYSA-N

• Benzotriazol-1-yl-acetic acid

IUPAC Name: 2-(benzotriazol-1-yl)acetic acid | CAS Registry Number: 4144-64-3
Synonyms: 1-Benzotriazoleacetic acid, 1H-Benzotriazole-1-acetic acid, Oprea1_418397, Oprea1_727191, MLS000703216, ALBB-005195, NSC227393, SBB006998, 1H-1,2,3-benzotriazol-1-ylacetic acid, BAS 00890571, SMR000273680, AG-690/09549018

Molecular Formula:	C₈H₇N₃O₂	Molecular Weight:	177.160080 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: QOXXZTPKJWPIDK-UHFFFAOYSA-N

• Benzyl (2,2,2-trifluoro-1-trifluoromethylethylidene)carbamate

IUPAC Name: benzyl N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate | CAS Registry Number: 128229-95-8
Synonyms: ST51042075, benzyl (2,2,2-trifluoro-1-trifluoromethyl-ethylidene)-carbamate, ZINC02548148, AC1MBU36, CTK8E5641, AKOS015912209, hexafluoroacetonen-benzyloxycarbonylimine, AK-56588, hexafluoroacetone n-benzyloxycarbonyl imine, Benzyl (perfluoropropan-2-ylidene)carbamate, Benzyl (2,2,2-trifluoro-1-trifluoromethyl-, FT-0643082, A805796, I14-36503, (2,2,2-trifluoro-1-trifluoromethyl-ethylidene)-carbamate, Benzyl (2,2,2-Trifluoro-1-trifluoromethyl ethylidene)carbamate, benzyl (2,2,2-trifluoro-1-trifluoromethylethylidene)carbamate, benzyl N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate, phenylmethyl 4,4,4-trifluoro-3-(trifluoromethyl)-2-azabut-2-enoate, (phenylmethyl) N-[1,1,1,3,3,3-hexakis(fluoranyl)propan-2-ylidene]carbamate

Molecular Formula:	C₁₁H₇F₆NO₂	Molecular Weight:	299.169199 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	8

InChIKey: BKXNRESBGIPTGF-UHFFFAOYSA-N

• Benzyl [(2,5-dioxopyrrolidin-1-yl)methyl]cyanocarbonimidodithioate

IUPAC Name: [benzylsulfanyl-[(2,5-dioxopyrrolidin-1-yl)methylsulfanyl]methylidene]cyanamide | CAS Registry Number: 353254-68-9
Synonyms: ZINC00480047, AC1LIAN8, Oprea1_513352, Benzyl [(2,5-dioxopyrrolidin-1-yl)methyl], A822734, Benzyl [(2,5-dioxopyrrolidin-1-yl)methyl] cyanocarbonimidodithioate, benzyl [(2,5-dioxopyrrolidin-1-yl)methyl]cyanocarbonimidodithioate, [[(2,5-dioxo-1-pyrrolidinyl)methylthio]-(phenylmethylthio)methylidene]cyanamide, [benzylsulfanyl-[(2,5-dioxopyrrolidin-1-yl)methylsulfanyl]methylidene]cyanamide, [[2,5-bis(oxidanylidene)pyrrolidin-1-yl]methylsulfanyl-(phenylmethylsulfanyl)methylidene]cyanamide

Molecular Formula:	C₁₄H₁₃N₃O₂S₂	Molecular Weight:	319.401920 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: SSVPJNFBYZZPPN-UHFFFAOYSA-N

• Benzyl [3-oxo-3-(4-methylphenyl)prop-1-enyl]cyanocarbonimidodithioate

IUPAC Name: [benzylsulfanyl-[3-(4-methylphenyl)-3-oxoprop-1-enyl]sulfanylmethylidene]cyanamide | CAS Registry Number: 275370-80-4
Synonyms: AC1MC4IE, Benzyl [3-oxo-3-(4-methylphenyl)prop-1-enyl], A819106, 1-(3-{[(benzylthio)(cyanoimino)methyl]thio}allanoyl)-4-methylbenzene, [[[3-(4-methylphenyl)-3-oxoprop-1-enyl]thio]-(phenylmethylthio)methylidene]cyanamide, [benzylsulfanyl-[3-(4-methylphenyl)-3-oxoprop-1-enyl]sulfanylmethylidene]cyanamide, [[3-(4-methylphenyl)-3-oxidanylidene-prop-1-enyl]sulfanyl-(phenylmethylsulfanyl)methylidene]cyanamide

Molecular Formula:	C₁₉H₁₆N₂OS₂	Molecular Weight:	352.473140 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: MEVRJHXOIPKYQG-UHFFFAOYSA-N

• Benzyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate

IUPAC Name: benzyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate | CAS Registry Number: 175137-29-8
Synonyms: ZINC02170136, PubChem14546, AC1MC4KR, CTK4D5334, MolPort-000-151-387, ANW-55548, PC1211, AKOS015851152, AG-E-24964, AK-63071, HC210077, KB-83043, FT-0622797, I03-1155, Benzyl2-chloro-4-trifluoromethylpyrimidine-5-carboxylate, benzyl 2-chloro-4-(trifluoromethyl) pyrimidine-5-carboxylate, 5-Pyrimidinecarboxylicacid, 2-chloro-4-(trifluoromethyl)-, phenylmethyl ester

Molecular Formula:	C₁₃H₈ClF₃N₂O₂	Molecular Weight:	316.663030 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	7

InChIKey: RJHJVPJLOZDZSJ-UHFFFAOYSA-N

• Benzyl 3-aminopyrrolidine-1-carboxylate

IUPAC Name: benzyl 3-aminopyrrolidine-1-carboxylate;hydrochloride | CAS Registry Number: 185057-50-5
Synonyms: 3-Aminopyrrolidine-1-carboxylic acid benzyl ester hydrochloride, 1-Cbz-3-aminopyrrolidine hydrochloride, 1159822-27-1, 3-AMINO-PYRROLIDINE-1-CARBOXYLIC ACID BENZYL ESTER-HCl, (S)-3-Amino-1-N-Cbz-pyrrolidine hydrochloride, PubChem11200, ACMC-209lkp, SureCN6175666, (S)-benzyl 3-aminopyrrolidine-1-carboxylate hydrochloride, KSC915A3D, N-Cbz-3-Aminopyrrolidine HCl, 1-Cbz-3-Aminopyrrolidine HCl, CTK8B5031, MolPort-003-981-679, ACT01723, ANW-47114, AKOS015919557, AK-47387, AK-51588, BR-47387

Molecular Formula:	C₁₂H₁₇ClN₂O₂	Molecular Weight:	256.728580 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: QNQVBYGRFHOBNO-UHFFFAOYSA-N

• Benzyl anthranilate

IUPAC Name: phenylmethyl 2-aminobenzoate | CAS Registry Number: 82185-41-9
Synonyms: Oprea1_030897, EINECS 279-911-2, Benzoic acid, 2-amino-, phenylmethyl ester, CID522771, ZINC02169730

Molecular Formula:	C₁₄H₁₃NO₂	Molecular Weight:	227.258520 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: ZHZPDMZPDWXVMJ-UHFFFAOYSA-N

• Benzyl methyl sulfone

IUPAC Name: methylsulfonylmethylbenzene | CAS Registry Number: 3112-90-1
Synonyms: Sulfone, benzyl methyl, Methyl benzyl sulfone, methylsulfonyl-methyl-benzene, Benzene, [(methylsulfonyl)methyl]-, alpha-(Methylsulphonyl)toluene, Benzene, ((methylsulfonyl)methyl)-, EINECS 221-478-9, NSC409406, ZINC00281115, SDCCGMLS-0064640.P001, AI3-07278, ST5407893

Molecular Formula:	C₈H₁₀O₂S	Molecular Weight:	170.228800 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: BEARMXYKACECDH-UHFFFAOYSA-N

• Benzyl-(2-chlorobenzyl)amine

IUPAC Name: (2-chlorophenyl)methyl-(phenylmethyl)azanium | CAS Registry Number: 67342-76-1
Synonyms: ZINC00290345, CID6943975

Molecular Formula:	C₁₄H₁₅ClN+	Molecular Weight:	232.728600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	0

InChIKey: RLPZBYLIRBRIPA-UHFFFAOYSA-O

• Benzyl-(2-methoxybenzyl)amine

IUPAC Name: 1-(2-methoxyphenyl)-N-(phenylmethyl)methanamine | CAS Registry Number: 69875-89-4
Synonyms: TimTec1_008420, Oprea1_020923, Oprea1_511003, Benzyl-(2-methoxy-benzyl)-amine, NSC128933, BAS 02566965, ST5013899

Molecular Formula:	C₁₅H₁₇NO	Molecular Weight:	227.301580 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: XIRPWRHFPWEBHP-UHFFFAOYSA-N

• Benzyl-(3,4-dimethoxybenzyl)amine

IUPAC Name: (3,4-dimethoxyphenyl)methyl-(phenylmethyl)azanium | CAS Registry Number: 13174-24-8
Synonyms: ZINC00174643, CID3394253

Molecular Formula:	C₁₆H₂₀NO₂+	Molecular Weight:	258.335500 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: JUVDVCSGIUHGPB-UHFFFAOYSA-O

• Benzyl-(4-chlorobenzyl)amine

IUPAC Name: (4-chlorophenyl)methyl-(phenylmethyl)azanium | CAS Registry Number: 13541-00-9
Synonyms: ZINC00329435, CID6946266

Molecular Formula:	C₁₄H₁₅ClN+	Molecular Weight:	232.728600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	0

InChIKey: NLJKKSSMEUWPKM-UHFFFAOYSA-O

• Benzyl-(4-fluorobenzyl)amine

IUPAC Name: (4-fluorophenyl)methyl-(phenylmethyl)azanium | CAS Registry Number: 55096-88-3
Synonyms: ZINC00280823, CID6943449

Molecular Formula:	C₁₄H₁₅FN+	Molecular Weight:	216.274003 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: SXZSRGKJZKOZRP-UHFFFAOYSA-O

• Benzyl-(4-isopropyl-benzyl)amine

IUPAC Name: phenylmethyl-[(4-propan-2-ylphenyl)methyl]azanium | CAS Registry Number: 346700-52-5
Synonyms: ZINC04240712, CID7145222

Molecular Formula:	C₁₇H₂₂N+	Molecular Weight:	240.363280 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	0

InChIKey: WXMQWRUCKUXXPJ-UHFFFAOYSA-O

• Benzylfuran-2-ylmethylamine

IUPAC Name: furan-2-ylmethyl(phenylmethyl)azanium | CAS Registry Number: 4439-53-6
Synonyms: ZINC00322401, CID5086887

Molecular Formula:	C₁₂H₁₄NO+	Molecular Weight:	188.245660 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: WDTGNYDDCJERKR-UHFFFAOYSA-O

• Benzylpyridin-2-ylmethylamine

IUPAC Name: benzyl(pyridin-2-ylmethyl)azanium | CAS Registry Number: 18081-89-5
Synonyms: ZINC00299694, (phenylmethyl)-(2-pyridinylmethyl)ammonium, (phenylmethyl)-(pyridin-2-ylmethyl)azanium, A812563

Molecular Formula:	C₁₃H₁₅N₂+	Molecular Weight:	199.271600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: RRLRWANEZGPBAD-UHFFFAOYSA-O

• Benzylpyridin-4-yl methylamine

IUPAC Name: phenylmethyl(pyridin-4-ylmethyl)azanium | CAS Registry Number: 73325-67-4
Synonyms: ZINC00575253, CID6957503

Molecular Formula:	C₁₃H₁₅N₂+	Molecular Weight:	199.271600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: LORNZWHHOVIGHG-UHFFFAOYSA-O

• Bergapten

IUPAC Name: 4-methoxyfuro[3,2-g]chromen-7-one | CAS Registry Number: 484-20-8
Synonyms: 5-Methoxypsoralen, bergaptene, Heraclin, Majudin, Pentaderm, Psoraderm, BERGAPTAN, Isopimpinellin, Bergapten(e), O-Methylbergaptol, 5-Methoxy psoralen, Pentaderm (TN), 5-Methoxyfuranocoumarin, 5-Mop, Spectrum_000794, Spectrum2_000534, Spectrum3_000663, Spectrum4_001478, Spectrum5_000155, 5-Methoxy-6,7-furanocoumarin

Molecular Formula:	C₁₂H₈O₄	Molecular Weight:	216.189520 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: BGEBZHIAGXMEMV-UHFFFAOYSA-N

• beta-Chloro-4-methoxypropiophenone

IUPAC Name: 3-chloro-1-(4-methoxyphenyl)propan-1-one | CAS Registry Number: 35999-20-3
Synonyms: NSC36076, 4'-Methoxy-3-chloropropiophenone, NSC31620, 6144b, CID233255, TL8002665

Molecular Formula:	C₁₀H₁₁ClO₂	Molecular Weight:	198.646140 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: FJBUZSAECLLZOL-UHFFFAOYSA-N

• Beta-D-Maltose octaacetate

IUPAC Name: [2,3-diacetyloxy-6-(acetyloxymethyl)-5-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-4-yl] acetate | CAS Registry Number: 22352-19-8
Synonyms: Maltose octaacetate, D-Cellobiose octaacetate, .beta.-Maltose octaacetate, Maltose, octaacetate, .beta.-, Octaacetyl .beta.-maltose, Octaacetyl-.alpha.-cellobiose, .alpha.-D-Cellobiose octaacetate, NSC1221, NSC1351, NSC1690, NSC1696, NSC1956, Cellobiose, octaacetate, .alpha.-, .BETA.-LACTOSE, OCTAACETATE, Cellobiose, octaacetate, .alpha.-D-, .beta.-D-Glucopyranose, 4-O-(2,3,4,6-tetra-O-acetyl-.alpha.-D-glucopyranosyl)-, tetraacetate, 4-O-.BETA.-D-GLUCOPYRANOSYL-.ALPHA.-D-ALTROPYRANOSE, OCTAACETATE, beta-D-Glucopyranose, 4-O-(2,3,4,6-tetra-O-acetyl-alpha-D-glucopyranosyl)-, tetraacetate, .alpha.-D-Glucopyranose, 4-O-(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl)-, tetraacetate, 5328-50-7

Molecular Formula:	C₂₈H₃₈O₁₉	Molecular Weight:	678.589920 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	19

InChIKey: WOTQVEKSRLZRSX-UHFFFAOYSA-N

• Beta-N-Benzylamino-L-Ala

IUPAC Name: (2S)-2-azaniumyl-3-(phenylmethylazaniumyl)propanoate | CAS Registry Number: 119830-32-9
Synonyms: ZINC02516989, CID7015760

Molecular Formula:	C₁₀H₁₅N₂O₂+	Molecular Weight:	195.238300 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: GBGMJYPWCZYLAW-VIFPVBQESA-O

• Beta-Naphthyl hydrazine

IUPAC Name: naphthalen-2-ylhydrazine;hydrochloride | CAS Registry Number: 2243-57-4
Synonyms: 2-Naphthylhydrazine hydrochloride, 2243-58-5, naphthalen-2-ylhydrazine hydrochloride, 2-Naphthylhydraine Hydrochloride, 2-Naphthalenyl hydrazine hydrochloride, 2-Hydrazinonaphthalene hydrochloride, AC1LATE5, Ambap2243-57-4, SCHEMBL526876, Jsp004561, 2-NAPHTHYLHYDRAZINE, HCL, CTK8B5977, NSC5528, NSC5715, MolPort-003-986-625, OXOQKRNEPBHINU-UHFFFAOYSA-N, 2-Naphthyl Hydrazine hydrochloride, naphthalen-2-yldiazane hydrochloride, NSC-5528, NSC-5715

Molecular Formula:	C₁₀H₁₁ClN₂	Molecular Weight:	194.660740 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	2

InChIKey: OXOQKRNEPBHINU-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

• Betamethasone

IUPAC Name: (8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-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: 378-44-9
Synonyms: betamethasone, Rinderon, Celestone, Betadexamethasone, Betafluorene, Betamamallet, Betamethazone, Flubenisolone, Betacorlan, Betacortril, Betapredol, Betasolon, Betnelan, Betsolan, Celestene, Hormezon, Methazon, Valisone, Visubeta, Bedifos

Molecular Formula:	C₂₂H₂₉FO₅	Molecular Weight:	392.461063 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: UREBDLICKHMUKA-DVTGEIKXSA-N

• Betamethasone Dipropionate

IUPAC Name: [(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(2-propanoyloxyacetyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate | CAS Registry Number: 5593-20-4
Synonyms: Diprolene, Alphatrex, Diproderm, Diprosis, Diprosone, Lotrisone, Maxivate, Psorion, Beloderm, Rinderon DP, Mixture Name, Diprolene AF, Rinderon-DP, Diprolene (TN), Betasone (Veterinary), Rinderon-DP (TN), nchembio747-comp12, BETAMETHASONE DIPROPIONATE, betamethasone propionate, Betamethasone 17,21-dipropionate

Molecular Formula:	C₂₈H₃₇FO₇	Molecular Weight:	504.587583 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: CIWBQSYVNNPZIQ-XYWKZLDCSA-N