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• Industrial Ortho Phosphorous Acid

IUPAC Name: dihydroxy(oxo)phosphanium | CAS Registry Number: 13598-36-2
Synonyms: Phosphonic acid, Phosphorous acid, phosphite, Phosphonsaeure, Phosphonate, Phosphono Group, Trihydroxyphosphine, Orthophosphorus acid, Phosphorus trihydroxide, Dihydroxyphosphine oxide, Phosphorous acid solution, DIHYDROGEN PHOSPHATE, H2PHO3, (HO)2HPO, HPO(OH)2, Phosphonate, Phosphonic acid, hydridodihydroxidooxidophosphorus, NChemBio.2007.9-comp19, [PHO(OH)2], 04115_RIEDEL

Molecular Formula:	H₂O₃P+	Molecular Weight:	80.987841 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: XNQULTQRGBXLIA-UHFFFAOYSA-O

• intermedaite of Mozavaptan

IUPAC Name: N,N-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine;hydrochloride | CAS Registry Number: 1225373-40-9
Synonyms: AKOS015890262, ST51051144, I01-6356, 5-dimethylamino-2,3,4,5-tetrahydro-1H-benzoazepine hydrochloride, N,N-diMethyl-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-aMine hydrochloride

Molecular Formula:	C₁₂H₁₉ClN₂	Molecular Weight:	226.745660 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: IMYLBMVQCREXIK-UHFFFAOYSA-N

• Intermediate Of Pitavastatin Calcium

IUPAC Name: tert-butyl 2-[(4R,6S)-6-formyl-2,2-dimethyl-1,3-dioxan-4-yl]acetate | CAS Registry Number: 124752-23-4
Synonyms: tert-Butyl (4R-cis)-6-formaldehydel-2,2-dimethyl-1,3-dioxane-4-acetate, tert-butyl 2-((4R,6S)-6-formyl-2,2-dimethyl-1,3-dioxan-4-yl)acetate, Tert-butyl 2-[(4R,6S)-6-formyl-2,2-dimethyl-1,3-dioxan-4-yl]acetate, MolPort-009-199-514, SBB066279, ZINC34610519, AKOS015896411, RP29211, AK-50587, BR-50587, KB-260206, FT-0604722, X6302, X9607, I06-2007, tert-Butyl (4R-cis)-6-formaldehyde-2,2-dimethyl-1,3-dioxane-4-acetate, (4R-cis)-6-Formaldehydel-2,2-dimethyl-1,3-dioxane-4-acetic acid 1,1-dimethylethyl ester

Molecular Formula:	C₁₃H₂₂O₅	Molecular Weight:	258.310780 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: JEFQIIXBSQLRTF-ZJUUUORDSA-N

• Intermediate Of Tigecycline

IUPAC Name: (4S,4aS,5aR,12aR)-9-amino-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrochloride | CAS Registry Number: 149934-21-4
Synonyms: 9-Amino minocycline hydrochloride, 9-Amino-minocycline hydrochloride, 9-Amino minocycline sulphate, cc-113, MolPort-009-198-705, ACN-S002536, AKOS015919829, RL01912, AK-27068, BR-27068, AB1009240, FT-0648923, FT-0686416, W3276, A808981, (2Z,4S,4aS,5aR,12aS)-9-amino-2-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione hydrochloride, (2Z,4S,4aS,5aR,12aS)-9-azanyl-2-[azanyl(oxidanyl)methylidene]-4,7-bis(dimethylamino)-10,11,12a-tris(oxidanyl)-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione hydrochloride, (4S,4aS,5aR,12aS)-9-Amino-4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacenecarboxamide hydrochloride, (4S,4AS,5AR,12AS)-9-AMINO-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE HCL, (4S,4aS,5aR,12aS)-9-Amino-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrochloride

Molecular Formula:	C₂₃H₂₉ClN₄O₇	Molecular Weight:	508.951960 [g/mol]
H-Bond Donor:	7	H-Bond Acceptor:	10

InChIKey: MQRUQMWLTBRONP-KBTHSJHISA-N

• IODONIUM,(4-METHYLPHENYL)[4-(2-METHYLPROPYL)PHENYL]-,HEXAFLUOROPHOSPHONATE(1-)

IUPAC Name: (4-methylphenyl)-[4-(2-methylpropyl)phenyl]iodanium;hexafluorophosphate | CAS Registry Number: 344562-80-7
Synonyms: Iodonium, (4-methylphenyl)(4-(2-methylpropyl)phenyl)-, hexafluorophosphate(1-), Iodonium, (4-methylphenyl)(4-(2-methylpropyl)phenyl)-, hexafluorophosphate(1-) (1:1), 657350-30-6

Molecular Formula:	C₁₇H₂₀F₆IP	Molecular Weight:	496.209351 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	7

InChIKey: YNDYCGZWQZEBCS-UHFFFAOYSA-N

• Iprodione

IUPAC Name: 3-(3,5-dichlorophenyl)-2,4-dioxo-N-propan-2-ylimidazolidine-1-carboxamide | CAS Registry Number: 36734-19-7
Synonyms: IPRODIONE, Rovrol, Rovral, Glycophen, Glycophene, Promidione, Iprodial, Verisan, Anfor, Kidan, Rovral flo, Rovral PM, Iprodine, glycophen anphor, Rovral 50WP, Iprodione solution, 'Rovral' HN, Chipco 26019, Caswell No. 470A, IPCDPH

Molecular Formula:	C₁₃H₁₃Cl₂N₃O₃	Molecular Weight:	330.166620 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: ONUFESLQCSAYKA-UHFFFAOYSA-N

• Irbesartan

IUPAC Name: 2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one | CAS Registry Number: 138402-11-6
Synonyms: irbesartan, Avapro, Aprovel, Karvea, Avalide, Irbetan, Avapro (TN), Irbesartan [USAN:INN], Spectrum_001751, BMS Brand of Irbesartan, Spectrum2_001675, Spectrum3_000994, Spectrum4_001122, Spectrum5_001288, BSPBio_002687, KBioGR_001603, KBioSS_002231, MLS000759408, MLS001424099, BMS 186295

Molecular Formula:	C₂₅H₂₈N₆O	Molecular Weight:	428.529420 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: YOSHYTLCDANDAN-UHFFFAOYSA-N

• iron chloride hexahydrate

IUPAC Name: iron(3+) trichloride hexahydrate | CAS Registry Number: 10025-77-1
Synonyms: FERRIC CHLORIDE, Ferric chloride hexahydrate, Iron trichloride hexahydrate, Ferric chloride, hexahydrate, Ferric trichloride hexahydrate, Iron(III) chloride hexahydrate, Iron (III), chloride, hexahydrate, IRON(3+) CHLORIDE, HEXAHYDRATE, LS-84231, 7705-08-0

Molecular Formula:	Cl₃FeH₁₂O₆	Molecular Weight:	270.295680 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	9

InChIKey: NQXWGWZJXJUMQB-UHFFFAOYSA-K

• Iron dilactate

IUPAC Name: 2-hydroxypropanoate; iron(2+) | CAS Registry Number: 5905-52-2
Synonyms: Iron(II) lactate, Iron(2+) lactate, FERROUS LACTATE, HSDB 462, Iron(2+) lactate, (2:1), C3H6O3, (S)-Bis(lactato-O1,O2)iron, EINECS 227-608-0, Lactic acid, iron(2+) salt (2:1), EINECS 289-080-8, Iron(2+) 2-hydroxypropanoate, (2:1), LS-87476, Propanoic acid, 2-hydroxy-, iron(2+) salt (2:1), Propanoic acid, 2-hydroxy-, iron(2+) salt (2:1) (9CI), 85993-25-5

Molecular Formula:	C₆H₁₀FeO₆	Molecular Weight:	233.985000 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: DKKCQDROTDCQOR-UHFFFAOYSA-L

• Iso-Octyl Bromide

IUPAC Name: 3-(bromomethyl)heptane | CAS Registry Number: 18908-66-2
Synonyms: 1-Bromo-2-ethylhexane, 2-Ethylhexyl bromide, 3-(Bromomethyl)heptane, Heptane, 3-(bromomethyl)-, 249416_ALDRICH, CID86804, EINECS 242-659-9

Molecular Formula:	C₈H₁₇Br	Molecular Weight:	193.124580 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: NZWIYPLSXWYKLH-UHFFFAOYSA-N

• Isoamyl Phenylacetate

IUPAC Name: 3-methylbutyl 2-phenylacetate | CAS Registry Number: 102-19-2
Synonyms: Isoamyl phenylacetate, Isopentyl phenylacetate, Isopentylphenylacetate, Isoamyl alpha-toluate, 3-Methylbutyl phenylacetate, 3-Methylbutyl benzeneacetate, FEMA No. 2081, Phenylacetic acid, isopentyl ester, Benzeneacetic acid, 3-methylbutyl ester, WLN: 1Y12OV1R, EINECS 203-012-6, ACETIC ACID, PHENYL-, ISOPENTYL ESTER, NSC 60582, NSC60582, BRN 1951778, AI3-36555, LS-2842, InChI=1/C13H18O2/c1-11(2)8-9-15-13(14)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H

Molecular Formula:	C₁₃H₁₈O₂	Molecular Weight:	206.280820 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: QWBQBUWZZBUFHN-UHFFFAOYSA-N

• Isobornyl Methacrylate

IUPAC Name: [(1R,4R,6R)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate | CAS Registry Number: 7534-94-3
Synonyms: ISOBORNYL METHACRYLATE, CID904857, ZINC04262215, Isobornyl 2-methyl-2-propenoate homopolymer, (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl methacrylate, 2-Propenoic acid, 2-methyl-, (1R,2R,4R)-1,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, rel-, homopolymer, 2-Propenoic acid, 2-methyl-, (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, rel-, 28854-39-9, 64114-51-8, 93120-52-6

Molecular Formula:	C₁₄H₂₂O₂	Molecular Weight:	222.323280 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: IAXXETNIOYFMLW-GYSYKLTISA-N

• Isobutyl Acetate

IUPAC Name: 2-methylpropyl acetate | CAS Registry Number: 110-19-0
Synonyms: ISOBUTYL ACETATE, Isobutyl ethanoate, Isobutylacetat, Isobutylazetat, i-butyl acetate, 2-Methylpropyl acetate, Acetate d'isobutyle, Acetic acid, isobutyl ester, 2-Methylpropyl ethanoate, 2-Methyl-1-propyl acetate, Acetic acid, 2-methylpropyl ester, beta-Methylpropyl ethanoate, FEMA Number 2175, Essigsaeureisobutylester, Isobutyl acetate (natural), Acetate d'isobutyle [French], FEMA No. 2175, HSDB 609, .beta.-Methylpropyl ethanoate, W217506_ALDRICH

Molecular Formula:	C₆H₁₂O₂	Molecular Weight:	116.158280 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: GJRQTCIYDGXPES-UHFFFAOYSA-N

• Isobutyl acetoacetate

IUPAC Name: 2-methylpropyl 3-oxobutanoate | CAS Registry Number: 7779-75-1
Synonyms: Isobutyl 3-oxobutanoate, 2-Methylpropyl 3-oxobutanoate, ACIB, Acetoacetic acid, isobutyl ester, Butanoic acid, 3-oxo-, 2-methylpropyl ester, AG-H-11674, Isobutyl 3-ketobutyrate, ACMC-209pbs, Isobutyl 3-ketobutanoate, AC1LAX8Q, AC1Q1PRI, UNII-5HI9DAL68Z, 00483_ALDRICH, 10902_ALDRICH, FEMA No. 2177, Acetoacetic Acid Isobutyl Ester, 2-Methyl-1-propyl acetoacetate, 10902_FLUKA, CTK3I9969, ZYXNLVMBIHVDRH-UHFFFAOYSA-

Molecular Formula:	C₈H₁₄O₃	Molecular Weight:	158.194960 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: ZYXNLVMBIHVDRH-UHFFFAOYSA-N

• Isobutyl chloride

IUPAC Name: 1-chloro-2-methylpropane | CAS Registry Number: 513-36-0
Synonyms: ISOBUTYL CHLORIDE, 1-Chloro-2-methylpropane, sJPHADIKUP@, Propane, 1-chloro-2-methyl-, 2-Chloro-2-methylpropane, 178004_ALDRICH, EINECS 208-157-9, InChI=1/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H

Molecular Formula:	C₄H₉Cl	Molecular Weight:	92.567260 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: QTBFPMKWQKYFLR-UHFFFAOYSA-N

• Isobutyl Isobutyrate

IUPAC Name: 2-methylpropyl 2-methylpropanoate | CAS Registry Number: 97-85-8
Synonyms: Isobutyl isobutyrate, Isobutyl isobutanoate, FEMA Number 2189, Isobutyl 2-methylpropanoate, Isobutyric acid, isobutyl ester, Isobutyl isobutyrate (natural), 2-METHYLPROPYL ISOBUTYRATE, FEMA No. 2189, 2-Methylpropyl 2-methylpropanoate, 2-Methylpropyl 2-methylpropionate, HSDB 5311, W218901_ALDRICH, 537632_ALDRICH, NSC 6538, EINECS 202-612-5, NSC6538, Propanoic acid, 2-methyl-, 2-methylpropyl ester, UN2528, 2-Methyl-1-propyl 2-methylpropanoate, BRN 1701355

Molecular Formula:	C₈H₁₆O₂	Molecular Weight:	144.211440 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: RXGUIWHIADMCFC-UHFFFAOYSA-N

• Isobutyl Mercaptan

IUPAC Name: 2-methylpropane-1-thiol | CAS Registry Number: 513-44-0
Synonyms: Isobutyl mercaptan, Isobutanethiol, Isobutyl thiol, 1-Propanethiol, 2-methyl-, 2-Methylpropane-1-thiol, 2-METHYL-1-PROPANETHIOL, W387401_ALDRICH, 112917_ALDRICH, EINECS 208-162-6, BRN 1730890, LS-121038, 4-01-00-01605 (Beilstein Handbook Reference)

Molecular Formula:	C₄H₁₀S	Molecular Weight:	90.187200 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: BDFAOUQQXJIZDG-UHFFFAOYSA-N

• Isobutyl Nitrite

IUPAC Name: 2-methylpropyl nitrite | CAS Registry Number: 542-56-3
Synonyms: ISOBUTYL NITRITE, Blackjack, Isobutylnitrit, 2-methylpropyl nitrite, Nitrous acid, isobutyl ester, (CH3)2CHCH2ONO, Nitrous acid, 2-methylpropyl ester, CCRIS 1099, C4H9NO2, HSDB 4368, 327190_ALDRICH, NCI-C61052, CHEBI:46643, EINECS 208-819-7, CID10958, BRN 1699518, LS-208, ZINC04261994, NCGC00091558-01, 4-01-00-01595 (Beilstein Handbook Reference)

Molecular Formula:	C₄H₉NO₂	Molecular Weight:	103.119760 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: APNSGVMLAYLYCT-UHFFFAOYSA-N

• Isobutyl Phenyl Acetate

IUPAC Name: 2-methylpropyl 2-phenylacetate | CAS Registry Number: 102-13-6
Synonyms: Isobutyl phenylacetate, Isobutyl phenylethanoate, Isobutyl alpha-toluate, 2-Methylpropyl phenylacetate, Isobutyl .alpha.-toluate, 2-Methylpropyl benzeneacetate, Acetic acid, phenyl-, isobutyl ester, Phenylacetic acid, isobutyl ester, FEMA No. 2210, CCRIS 7324, W221007_ALDRICH, NSC 6602, EINECS 203-007-9, NSC6602, BENZENEACETIC ACID, 2-METHYLPROPYL ESTER, ZINC00394965, AI3-01969, LS-2854, ST5407055, Acetic acid, phenyl-, isobutyl ester (6CI,8CI)

Molecular Formula:	C₁₂H₁₆O₂	Molecular Weight:	192.254240 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: RJASFPFZACBKBE-UHFFFAOYSA-N

• Isobutyric Anhydride

IUPAC Name: 2-methylpropanoyl 2-methylpropanoate | CAS Registry Number: 97-72-3
Synonyms: Isobutyric anhydride, Isobutyryl anhydride, Isobutyric acid anhydride, 2-Methylpropionic anhydride, 2-METHYLPROPANOIC ANHYDRIDE, Propanoic acid, 2-methyl-, anhydride, 245771_ALDRICH, 58390_FLUKA, HSDB 5309, CID7346, EINECS 202-603-6, UN2530, BBV-266441, 2-METHYLPROPIONIN ACID ANHYDRIDE, NCGC00164355-01, AI3-28521, Propanoic acid, 2-methyl-, 1,1'-anhydride, Isobutyric anhydride [UN2530] [Flammable liquid], InChI=1/C8H14O3/c1-5(2)7(9)11-8(10)6(3)4/h5-6H,1-4H, 2-thiophenecarboxaldehyde, 5-[[5-[(5-methoxy-2-thienyl)ethynyl]-2-thienyl]ethynyl]-

Molecular Formula:	C₈H₁₄O₃	Molecular Weight:	158.194960 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: LSACYLWPPQLVSM-UHFFFAOYSA-N

• Isochroman

IUPAC Name: 3,4-dihydro-1H-isochromene | CAS Registry Number: 493-05-0
Synonyms: Isochromane, 1H-2-Benzopyran, 3,4-dihydro-, 3,4-Dihydro-1H-isochromene, I15807_ALDRICH, 3,4-dihydro-1H-2-benzopyran, CHEBI:33225, NSC63362, EINECS 207-774-0, ZINC01691582, SB 01207, InChI=1/C9H10O/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4H,5-7H

Molecular Formula:	C₉H₁₀O	Molecular Weight:	134.175100 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: HEBMCVBCEDMUOF-UHFFFAOYSA-N

• ISOCYANURIC ACID/DIAMINO(METHYLIMIDAZOLYL)ETHYL-S-TRIAZINE

IUPAC Name: 6-[2-(2-methylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine;1,3,5-triazinane-2,4,6-trione | CAS Registry Number: 68490-66-4
Synonyms: SCHEMBL1252536, 1,3,5-Triazine-2,4,6 -trione,compd.with6-2- ethyl-1,3,5-triazine-2,4-diamine, 97679-43-1

Molecular Formula:	C₁₂H₁₆N₁₀O₃	Molecular Weight:	348.320640 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	9

InChIKey: CFSJAORJCPGPFP-UHFFFAOYSA-N

• Isohomovanillic acid

IUPAC Name: 2-(3-hydroxy-4-methoxyphenyl)acetic acid | CAS Registry Number: 1131-94-8
Synonyms: Homo-iso-vanillic acid, MLS000574994, 4-Methoxy-3-hydroxyphenylacetic acid, 3-Hydroxy-4-methoxybenzeneacetic acid, (3-hydroxy-4-methoxyphenyl)acetic acid, SMR000156294

Molecular Formula:	C₉H₁₀O₄	Molecular Weight:	182.173300 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: BWXLCOBSWMQCGP-UHFFFAOYSA-N

• Isonipecotic acid

IUPAC Name: piperidine-4-carboxylic acid | CAS Registry Number: 498-94-2
Synonyms: 4-Piperidinecarboxylic acid, Hexahydroisonicotinic acid, 4-Carboxypiperidine, Piperidine-4-carboxylic acid, Isonicotinic acid, hexahydro-, 4-Hexahydroisonicotinic acid, Lopac-I18008, Acide isonipecotique [French], Piperidin-4-carboxylic acid, Lopac0_000705, I18008_ALDRICH, MLS000069407, 80650_FLUKA, EINECS 207-872-3, NSC 61049, NSC61049, BRN 0112553, SBB004231, Acide piperidine-carboxylique-4 [French], NCGC00015573-01

Molecular Formula:	C₆H₁₁NO₂	Molecular Weight:	129.157040 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: SRJOCJYGOFTFLH-UHFFFAOYSA-N

• Isophorone Di-Isocyanate

IUPAC Name: 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane | CAS Registry Number: 4098-71-9
Synonyms: ISOPHORONE DIISOCYANATE, IPDI, Isophorone diamine diisocyanate, 317624_ALDRICH, CCRIS 6252, 59192_FLUKA, HSDB 6337, EINECS 223-861-6, CID169132, UN2290, Isophorone diisocyanate [Diisocyanates], LS-1253, BRN 2726467, NCGC00091745-01, NCGC00091745-02, LS-191405, Isophorone diisocyanate [UN2290] [Poison], 5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane, Cyclohexane, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-, 3-Isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate

Molecular Formula:	C₁₂H₁₈N₂O₂	Molecular Weight:	222.283520 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: NIMLQBUJDJZYEJ-UHFFFAOYSA-N

• Isophthaloyl Chloride

IUPAC Name: benzene-1,3-dicarbonyl chloride | CAS Registry Number: 99-63-8
Synonyms: Isophthaloyl dichloride, Isophthaloyl chloride, Isothaloyl chloride, Isophthalic chloride, Isophthalyl chloride, m-Phthaloyl chloride, Isophthalyl dichloride, m-Phthalic dichloride, m-Phthalyl dichloride, m-Benzenedicarbonyl chloride, Isophthalic acid chloride, meta-Phthalyl dichloride, 1,3-Benzenedicarbonyl dichloride, Isophthalic acid dichloride, WLN: GVR CVG, I19403_ALDRICH, HSDB 5326, 1,3-BENZENEDICARBONYL CHLORIDE, 59210_FLUKA, EINECS 202-774-7

Molecular Formula:	C₈H₄Cl₂O₂	Molecular Weight:	203.022160 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: FDQSRULYDNDXQB-UHFFFAOYSA-N

• Isopropenylboronic Acid Pinacol Ester

IUPAC Name: 4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane | CAS Registry Number: 126726-62-3
Synonyms: Isopropenylboronic acid pinacol ester, 4,4,5,5-tetramethyl-2-(prop-1-en-2-yl)-1,3,2-dioxaborolane, 2-Isopropenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, (4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isopropene, PubChem17392, SureCN252994, 663212_ALDRICH, CTK8B4862, MolPort-003-938-265, isopropenylboronicacid pinacol ester, ACN-S001392, ANW-46546, Isopropenylboronic acid, pinacol ester, AKOS005146510, 2-Isopropenylboronic acid pinacol ester, LS00124, MB06091, OR17811, RP02543, AK-86073

Molecular Formula:	C₉H₁₇BO₂	Molecular Weight:	168.041080 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: SVSUYEJKNSMKKW-UHFFFAOYSA-N

• Isopropoxyboronic acid, pinacol ester

IUPAC Name: 4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane | CAS Registry Number: 61676-62-8
Synonyms: 417149_ALDRICH, BM084, Isopropoxyboronic acid pinacol ester, ST5405993, 2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Molecular Formula:	C₉H₁₉BO₃	Molecular Weight:	186.056360 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: MRWWWZLJWNIEEJ-UHFFFAOYSA-N

• Isopropyl Acetate

IUPAC Name: propan-2-yl acetate | CAS Registry Number: 108-21-4
Synonyms: ISOPROPYL ACETATE, Paracetat, 2-Acetoxypropane, 2-Propyl acetate, Isopropyl ethanoate, Isopropylacetat, Isopropylacetaat, 1-Methylethyl acetate, Acetic Acid, isopropyl ester, Acetate d'isopropyle, Acetic acid, 1-methylethyl ester, Isopropylacetaat [Dutch], Isopropylacetat [German], Isopropile(acetato di), Isopropyl(acetate d'), Acetate d'isopropyle [French], FEMA No. 2926, CCRIS 6053, HSDB 159, WLN: 1YOV1

Molecular Formula:	C₅H₁₀O₂	Molecular Weight:	102.131700 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: JMMWKPVZQRWMSS-UHFFFAOYSA-N

• Isopropyl chloride

IUPAC Name: 2-chloropropane | CAS Registry Number: 75-29-6
Synonyms: Narcosop, Isoprid, Propane, 2-chloro-, Isopropylchloride, 2-CHLOROPROPANE, 2-Propyl chloride, sec-Propyl chloride, Chlorodimethylmethane, 2-CHLORO-PROPANE, CCRIS 874, C68563_ALDRICH, HSDB 5204, 240613_ALDRICH, 02489_FLUKA, EINECS 200-858-8, UN2356, BRN 1730782, AI3-18025, LS-119656, 2-Chloropropane [UN2356] [Flammable liquid]

Molecular Formula:	C₃H₇Cl	Molecular Weight:	78.540680 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: ULYZAYCEDJDHCC-UHFFFAOYSA-N

• Isopropyl Mercaptan

IUPAC Name: propane-2-thiol | CAS Registry Number: 75-33-2
Synonyms: 2-Propanethiol, Isopropanethiol, Isopropylthiol, Propane-2-thiol, ISOPROPYL MERCAPTAN, 2-Mercaptopropane, 2-Propylmercaptan, Isopropylmercaptan, 1-Methylethanethiol, HSDB 625, P50773_ALDRICH, W389706_ALDRICH, CHEBI:8474, 59590_FLUKA, EINECS 200-861-4, CID6364, NSC 87537, NSC87537, AI3-22988, LS-1661

Molecular Formula:	C₃H₈S	Molecular Weight:	76.160620 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: KJRCEJOSASVSRA-UHFFFAOYSA-N

• ISOPROPYL NITRITE

IUPAC Name: propan-2-yl nitrite | CAS Registry Number: 541-42-4
Synonyms: Isopropyl nitrite, iso-Propyl nitrite, 2-Propanol nitrite, Isopropylester kyseliny dusite, Nitrous acid, 1-methylethyl ester, NITROUS ACID, ISOPROPYL ESTER, EINECS 208-779-0, MolPort-001-780-297, Isopropylester kyseliny dusite [Czech], CID10929, BRN 1698878, LS-96769, 4-01-00-01474 (Beilstein Handbook Reference), I14-6594

Molecular Formula:	C₃H₇NO₂	Molecular Weight:	89.093180 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: SKRDXYBATCVEMS-UHFFFAOYSA-N

• Isopropyl Vinyl Ether

IUPAC Name: 2-ethenoxypropane | CAS Registry Number: 926-65-8
Synonyms: Ether, isopropyl vinyl, 2-(Vinyloxy)propane, Vinyl isopropyl ether, Propane, 2-(ethenyloxy)-, 2-(Ethenyloxy)propane, ISOPROPYL VINYL ETHER, EINECS 213-142-5

Molecular Formula:	C₅H₁₀O	Molecular Weight:	86.132300 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: GNUGVECARVKIPH-UHFFFAOYSA-N

• Isopropylisothiocyanate

IUPAC Name: 2-isothiocyanatopropane | CAS Registry Number: 2253-73-8
Synonyms: Isopropyl isothiocyanate, Propane, 2-isothiocyanato-, 476013_ALDRICH, BB_SC-1843, CID75263, EINECS 218-851-3, ZINC01841344, InChI=1/C4H7NS/c1-4(2)5-3-6/h4H,1-2H

Molecular Formula:	C₄H₇NS	Molecular Weight:	101.170080 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: VHBFEIBMZHEWSX-UHFFFAOYSA-N

• Isoquinoline, 1,2,3,4-Tetrahydro-6-Methoxy-

IUPAC Name: 6-methoxy-1,2,3,4-tetrahydroisoquinoline | CAS Registry Number: 42923-77-3
Synonyms: ChemDiv3_003915, Oprea1_268522, Oprea1_817545, BRN 0131274, CID39356, ZERO/010036, 1,2,3,4-Tetrahydro-6-methoxyisoquinoline, IDI1_021825, NCGC00179849-01, BAS 03049471, LS-85987, 6-Methoxy-1,2,3,4-tetrahydroisoquinoline, 6-Methoxy-1,2,3,4-tetrahydro-isoquinoline, M90104, ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-6-METHOXY-, 5-21-02-00326 (Beilstein Handbook Reference)

Molecular Formula:	C₁₀H₁₃NO	Molecular Weight:	163.216320 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: YYTAYINRPUJPNH-UHFFFAOYSA-N

• Isoquinoline, 3,4-dihydro-6,7-dimethoxy-

IUPAC Name: 6,7-dimethoxy-3,4-dihydroisoquinoline | CAS Registry Number: 3382-18-1
Synonyms: Oprea1_728067, NSC627588, AIDS160409, BB_NC-1918, 6,7-Dimethoxy-3,4-dihydroisoquinoline, AIDS-160409, EINECS 222-185-9, ZINC04030007, 3,4-Dihydro-6,7-dimethoxyisoquinoline, NCI60_008813, 20232-39-7, InChI=1/C11H13NO2/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2/h5-7H,3-4H2,1-2H

Molecular Formula:	C₁₁H₁₃NO₂	Molecular Weight:	191.226420 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: NSLJVQUDZCZJLK-UHFFFAOYSA-N

• Isoquinoline-n-oxide

IUPAC Name: 2-oxidoisoquinolin-2-ium | CAS Registry Number: 1532-72-5
Synonyms: Isoquinoline oxide, Isoquinoline 2-oxide, Isoquinoline N-oxide, Isoquinoline, 2-oxide, Isoquinolin-N-oxide, 1-ISOQUINOLINAMINE, 192694_ALDRICH, EINECS 216-242-7, NSC153684, ZINC00331728, Isoquinoline, 2-oxide (8CI)(9CI), NSC 153684, AC-907/25014238

Molecular Formula:	C₉H₇NO	Molecular Weight:	145.157980 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: RZIAABRFQASVSW-UHFFFAOYSA-N

• Isovanillin

IUPAC Name: 3-hydroxy-4-methoxybenzaldehyde | CAS Registry Number: 621-59-0
Synonyms: Isovanilline, ISOVANILLIN, 5-Formylguaiacol, 3-Hydroxy-4-methoxybenzaldehyde, 3-Hydroxy-p-anisaldehyde, 3-Hydroxyanisaldehyde, p-Anisaldehyde, 3-hydroxy-, Benzaldehyde, 3-hydroxy-4-methoxy-, WLN: VHR CQ DO1, NCIOpen2_001085, MLS000574853, Oxy-3 methoxy-4 benzaldehyde, 143685_ALDRICH, 59927_FLUKA, 59940_FLUKA, EINECS 210-694-9, NSC 82996, CID12127, CPD-8489, NSC82996

Molecular Formula:	C₈H₈O₃	Molecular Weight:	152.147320 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: JVTZFYYHCGSXJV-UHFFFAOYSA-N

• Isoxazole-4-boronic acid

IUPAC Name: 1,2-oxazol-4-ylboronic acid | CAS Registry Number: 1008139-25-0
Synonyms: AG-D-06528, Isoxazole-4-boronicacid, ACMC-2097sl, Isoxazole-4-boronic acid,, SureCN2414159, CTK3J9273, (1,2-oxazol-4-yl)boronic acid, ANW-14371, AKOS006293859, AM90003, RP19080, AK-32646, KB-53006, X4967, A-4086, I04-2937

Molecular Formula:	C₃H₄BNO₃	Molecular Weight:	112.879760 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: HANPIZQMFCWPKY-UHFFFAOYSA-N

• Itraconazole

IUPAC Name: 2-butan-2-yl-4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one | CAS Registry Number: 84625-61-6
Synonyms: itraconazole, Oriconazole, Sporanox, Intraconazole, Itrizole, Itrizole (TN), Sporanox (TN), ITCZ, Itraconazol [Spanish], Itraconazolum [Latin], Itraconazole & Nyotran, Itraconazole (JAN/USAN), CHEBI:6076, Itraconazole & Bovine Lactoferrin, AIDS007334, AIDS093050, AIDS121432, AIDS-007334, AIDS-093050, AIDS-121432

Molecular Formula:	C₃₅H₃₈Cl₂N₈O₄	Molecular Weight:	705.633420 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	10

InChIKey: VHVPQPYKVGDNFY-ZPGVKDDISA-N

• Kanamycin sulfate

IUPAC Name: (2R,3S,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol; sulfuric acid | CAS Registry Number: 25389-94-0
Synonyms: Kantrex, Kanamycin monosulfate, Kanamycin A sulfate, Kantrex (TN), Kanamycin acid sulfate, Ambap2147, Kanamycin sulfate (TN), Kanamycin sulfate (USP), Kanamycin sulfate (JP15), Kanamycin monosulfate (JP15), CHEBI:6109, C08046, D00866, D03262, KM

Molecular Formula:	C₁₈H₃₈N₄O₁₅S	Molecular Weight:	582.577120 [g/mol]
H-Bond Donor:	13	H-Bond Acceptor:	19

InChIKey: OOYGSFOGFJDDHP-KMCOLRRFSA-N

• Keratin hydrolyzed

IUPAC Name: 2-bromo-2-chloroacetic acid | CAS Registry Number: 69430-36-0
Synonyms: Bromochloroacetic acid, 5589-96-8, 2-bromo-2-chloroacetic acid, Acetic acid, bromochloro-, Chlorobromoacetic acid, bromo(chloro)acetic acid, 2-Bromo-2-chloroethanoic acid, CHEBI:64206, UNII-AL8MZ37Y51, AL8MZ37Y51, C2H2BrClO2, CCRIS 8228, HSDB 7619, Keratin hydrolyzate, bromochloracetic acid, BrCH(Cl)COOH, 68238-35-7, bromochloroethanoic acid, BrCH(Cl)CO2H, ACMC-20alk2

Molecular Formula:	C₂H₂BrClO₂	Molecular Weight:	173.390 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: GEHJBWKLJVFKPS-UHFFFAOYSA-N

• Ketoconazole

IUPAC Name: 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone | CAS Registry Number: 65277-42-1
Synonyms: ketoconazole, Fungarest, Fungoral, Ketoderm, Nizoral, Ketoconazol, Ketoisdin, Panfungol, Xolegel, Extina, Orifungal M, Nizoral a-D, (+)-Ketoconazole, Prestwick_744, Ambap5952, Tocris-1103, (2R,4S)-ketoconazole, Prestwick0_000389, Prestwick1_000389, Prestwick2_000389

Molecular Formula:	C₂₆H₂₈Cl₂N₄O₄	Molecular Weight:	531.430920 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	7

InChIKey: XMAYWYJOQHXEEK-OZXSUGGESA-N

• Ketoisophorone

IUPAC Name: 2,6,6-trimethylcyclohex-2-ene-1,4-dione | CAS Registry Number: 1125-21-9
Synonyms: 4-Oxoisophorone, Oxopholone, Oxophorone, keto-Isophorone, 6-Oxoisophorone, 4-Oxo-alpha-isophorone, FEMA No. 3421, 2,6,6-Trimethyl-2-cyclohexene-1,4-dione, W342106_ALDRICH, 329517_ALDRICH, 2,6,6-Trimethylcyclohex-2-ene-1,4-dione, 92410_FLUKA, EINECS 214-406-2, BB_NC-0299, CID62374, STK801843, ZINC03881445, 2-CYCLOHEXENE-1,4-DIONE, 2,6,6-TRIMETHYL-, 3,5,5-Trimethyl-2-cyclohexene-1,4-dione, LS-178762

Molecular Formula:	C₉H₁₂O₂	Molecular Weight:	152.190380 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: AYJXHIDNNLJQDT-UHFFFAOYSA-N

• Ketoprofen

IUPAC Name: 2-[3-(benzoyl)phenyl]propanoic acid | CAS Registry Number: 22071-15-4
Synonyms: ketoprofen, Orudis, Ketoprophene, Ketoprofene, Alrheumun, Capisten, Profenid, Oruvail, Epatec, Aneol, Alrheumat, Alrheumum, Actron, racemic-Ketoprofen, Ketoprofen (+-), Orudis KT, m-Benzoylhydratropic acid, Orudis (TN), Prestwick_617, 3-Benzoylhydratropic acid

Molecular Formula:	C₁₆H₁₄O₃	Molecular Weight:	254.280560 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: DKYWVDODHFEZIM-UHFFFAOYSA-N

• Ketorolac tromethamine salt

IUPAC Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol; 5-(benzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid | CAS Registry Number: 74103-07-4
Synonyms: Toradol, Acular, Syntex, Ketorolac tromethamine, Acular LS, Lixidol, Toratex, Exodol, Dolac, Droal, Acular PF, Ketorolac Rinse, Ketorolac tris salt, Tora-Dol, Ketorolac trometamol, Toradol (TN), Acular (TN), BPPC, Spectrum_001578, Acular Preservative Free

Molecular Formula:	C₁₉H₂₄N₂O₆	Molecular Weight:	376.403660 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	8

InChIKey: BWHLPLXXIDYSNW-UHFFFAOYSA-N

• Kinetin

IUPAC Name: N-(furan-2-ylmethyl)-7H-purin-6-amine | CAS Registry Number: 525-79-1
Synonyms: kinetin, Cytokinin, 6-Furfuryladenine, Cytex, N6-Furfuryladenine, N-Furfuryladenine, Kinetin solution, Kinetin (VAN), Adenine, N-furfuryl-, 6-Furfurylaminopurine, 6-(Furfurylamino)purine, Kinetin (plant hormone), Prestwick_965, Kinetin hydrochloride, Caswell No. 272D, N6-(Furfurylamino)purine, Spectrum_001064, N(sup 6)-Furfuryladenine, Furfuryl(purin-6-yl)amine, Maybridge1_007141

Molecular Formula:	C₁₀H₉N₅O	Molecular Weight:	215.211360 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: QANMHLXAZMSUEX-UHFFFAOYSA-N

• Konjac glucomannan (CAS: 37220-17-0)

• L-3-(2-pyridyl)-alanine

IUPAC Name: (2S)-2-amino-3-pyridin-2-ylpropanoic acid | CAS Registry Number: 37535-51-6
Synonyms: L-2-Pyridylalanine, 2'-Aza-L-phenylalanine, 3-(2-Pyridyl)-L-alanine, 71836_FLUKA, AL181-1, (S)-2-Amino-3-(2-pyridyl)propionic acid, TL8002765

Molecular Formula:	C₈H₁₀N₂O₂	Molecular Weight:	166.177200 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: PDRJLZDUOULRHE-ZETCQYMHSA-N

• L-4-Chlorophenylalanine

IUPAC Name: 2-amino-3-(4-chlorophenyl)propanoic acid | CAS Registry Number: 14173-39-8
Synonyms: Fenclonine, Fenchlonine, Fenclonin, p-chlorophenylalanine, p-Clorophenylalanine, C-Pal, 4-Chlorophenylalanine, DL-PCPA, para-Chlorophenylalanine, PCPA, DL-p-Chlorophenylalanine, Fenclonine [USAN:INN], Fencloninum [INN-Latin], 4-Chloro-3-phenylalanine, L-p-Chlorophenylalanine, Phenylalanine, 4-chloro-, Spectrum_001188, Fenclonina [INN-Spanish], (+-)-p-Chlorphenylalanine, Fenclonine (USAN/INN)

Molecular Formula:	C₉H₁₀ClNO₂	Molecular Weight:	199.634200 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: NIGWMJHCCYYCSF-UHFFFAOYSA-N