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• Acephate

IUPAC Name: N-[methoxy(methylsulfanyl)phosphoryl]acetamide | CAS Registry Number: 30560-19-1
Synonyms: acephate, Acetamidophos, Orthene, Ortran, Ortril, Chevron Orthene, Acephat [German], Acephate solution, Acephate, technical, Orthene-755, Caswell No. 002A, Spectrum_001899, Chevron RE 12,420, SpecPlus_000520, Ortho 124120, Spectrum2_001725, Spectrum3_000850, Spectrum4_000690, Spectrum5_002016, Acephate [ANSI:BSI:ISO]

Molecular Formula:	C₄H₁₀NO₃PS	Molecular Weight:	183.165861 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: YASYVMFAVPKPKE-UHFFFAOYSA-N

• Acetamiprid

IUPAC Name: N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide | CAS Registry Number: 135410-20-7
Synonyms: Acetamipride, (E)-acetamiprid, (Z)-acetamiprid, Acetamiprid [ISO], HSDB 7274, NI 25, CHEBI:39163, CHEBI:39164, CHEBI:39165, NCGC00163881-01, NCGC00163881-02, LS-183006, (E)-N-(6-Chloro-3-pyridyl)methyl-N'-cyano-N-methylacetamidine, C464485, N-((6-Chloro-3-pyridinyl)methyl)-N'-cyano-N-methylethanimidamide, (1E)-N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide, Ethanimidamide, N-((6-chloro-3-pyridinyl)methyl)-N'-cyano-N-methyl-, (E)-, N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide, (1Z)-N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide, (E)-N-((6-chloro-3-pyridinyl)methyl)-N'-cyano-N-methylethanimidamide

Molecular Formula:	C₁₀H₁₁ClN₄	Molecular Weight:	222.674140 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: WCXDHFDTOYPNIE-UHFFFAOYSA-N

• Adefovir

IUPAC Name: 2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid | CAS Registry Number: 106941-25-7
Synonyms: ADEFOVIR, PMEA, Adefovir [USAN:INN], 9-PMEA, Adefovir (USAN/INN), 9-(2-Phosphonylmethoxyethyl)adenine, GS 393, C8H12N5O4P, 9-(2-phosphonomethoxyethyl)adenine, DRG-0156, N-(2-Phosphonylmethoxyethyl)adenine, GS 0393, 9-(2-(Phosphonomethoxy)ethyl)adenine, AIDS000048, AIDS-000048, CID60172, GS-0393, 9-(2-Phosphorylmethoxyethyl)adenine, 9-[2-Phosphonylmethoxyethyl]adenine, BRN 3561094

Molecular Formula:	C₈H₁₂N₅O₄P	Molecular Weight:	273.185741 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	9

InChIKey: SUPKOOSCJHTBAH-UHFFFAOYSA-N

• Amitraz

IUPAC Name: N'-(2,4-dimethylphenyl)-N-[(2,4-dimethylphenyl)iminomethyl]-N-methylmethanimidamide | CAS Registry Number: 33089-61-1
Synonyms: AMITRAZ, Mitac, Mitaban, Triazid, Taktic, Azadieno, Azaform, Ectodex, Edrizar, Acarac, Bipin, Amitraz estrella, Fumilat A, BAAM, Amitraze [French], Mitaban (Veterinary), Caswell No. 374A, Amitrazum [INN-Latin], Upjohn U-36059, Amitraz (USP/INN)

Molecular Formula:	C₁₉H₂₃N₃	Molecular Weight:	293.406020 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: QXAITBQSYVNQDR-UHFFFAOYSA-N

• Amlodipine Besylate

IUPAC Name: benzenesulfonic acid; 3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate | CAS Registry Number: 111470-99-6
Synonyms: Norvasc, Amlogard, Cardiorex, Cordarene, Monopina, Norlopin, Tensivask, Amdepin, Amdipin, Amlodin, Amlopin, Amlosyn, Antacal, Astudar, Myodura, Norvask, Amcard, Norvas, Pelmec, Terloc

Molecular Formula:	C₂₆H₃₁ClN₂O₈S	Molecular Weight:	567.050940 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	10

InChIKey: ZPBWCRDSRKPIDG-UHFFFAOYSA-N

• Anhydrous Hydrogen Chloride

IUPAC Name: hydrogen chloride | CAS Registry Number: 7647-01-0
Synonyms: hydrochloric acid, hydrogen chloride, hydrochloride, Muriatic acid, Bowl Cleaner, chlorane, chlorum, Spirits of salt, Hydrogenchlorid, Chlorohydric acid, Chlore, chloridohydrogen, Chlor, Chlorwasserstoff, Cloro, Acid, Muriatic, Wasserstoffchlorid, 4-D Bowl Sanitizer, Acid, Hydrochloric, Chloride, Hydrogen

Molecular Formula:	ClH	Molecular Weight:	36.460940 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	0

InChIKey: VEXZGXHMUGYJMC-UHFFFAOYSA-N

• Berberine

Synonyms: berberine, Berberin, Umbellatine, Berbericine, Umbellatin, Berbinium, Majarine, Thalsine, Coptis rhizome, Umbellatine (6CI), Coptis rhizome (TN), nchembio.105-comp4, nchembio.123-comp2, Powdered coptis rhizome, Spectrum_001110, Coptis rhizome (JP15), Prestwick0_000586, Prestwick1_000586, Prestwick2_000586, Prestwick3_000586

Molecular Formula:	C₂₀H₁₈NO₄+	Molecular Weight:	336.361220 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: YBHILYKTIRIUTE-UHFFFAOYSA-N

• Calcium

IUPAC Name: calcium | CAS Registry Number: 7440-70-2
Synonyms: CALCIUM, Kalzium, Calcio, Calcium compounds, Calcium dihydride, Factor IV, calcium(0), CALCIUM HYDRIDE, Coagulation Factor IV, Factor IV, Coagulation, Calcium hydride (CaH2), 20Ca, Blood Coagulation Factor IV, HSDB 273, Ca(0), 213268_ALDRICH, 215147_ALDRICH, 327387_ALDRICH, 441872_ALDRICH, 465895_ALDRICH

Molecular Formula:	Ca	Molecular Weight:	40.078000 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: OYPRJOBELJOOCE-UHFFFAOYSA-N

• Carboxin

IUPAC Name: 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide | CAS Registry Number: 5234-68-4
Synonyms: Carbathiin, CARBOXIN, Carboxine, Vitavax, Oxatin, Carbathiine, Murganic, Vitaflow, Cerevax, Enhance, Kemikar, Kisvax, Vitavax 75W, Cerevax Extra, Enhance Plus, Germate Plus, DCMO, DMOC, Karboxyn, Vitavax 100

Molecular Formula:	C₁₂H₁₃NO₂S	Molecular Weight:	235.302120 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: GYSSRZJIHXQEHQ-UHFFFAOYSA-N

• Cartap

IUPAC Name: S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate | CAS Registry Number: 15263-53-3
Synonyms: Thiobel, Sanvex, Padan, Cartap [BSI:ISO], CHEBI:3436, C7H15N3O2S2, CID27159, BRN 1954913, 1,3-Di(carbamoylthio)-2-dimethylaminopropane, 2-Dimethylamino-1,3-bis(carbamoylthio)propane, NCGC00166201-01, LS-50668, T-1258, 1,3-Bis(carbamoylthio)-2-(N,N-dimethylamino)propane, S,S'-(2-Dimethylaminotrimethylene) bis(thiocarbamate), C11080, S,S'-(2-(Dimethylamino)-1,3-propanediyl)dicarbamothioate, carbamothioic acid, S,S'-(2-(dimethylamino)-1,3-propanediyl) ester, S,S'-(2-(dimethylamino)-1,3-propanediyl) dicarbamothioate, CARBAMIC ACID, THIO-, S,S'-(2-(DIMETHYLAMINO)TRIMETHYLENE) ESTER

Molecular Formula:	C₇H₁₅N₃O₂S₂	Molecular Weight:	237.342900 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: IRUJZVNXZWPBMU-UHFFFAOYSA-N

• Chlorpyrifos

IUPAC Name: diethoxy-sulfanylidene-(3,5,6-trichloropyridin-2-yl)oxy-$l^{5}-phosphane | CAS Registry Number: 2921-88-2
Synonyms: chlorpyrifos, Chlorpyriphos, Dursban, Trichlorpyrphos, Lorsban, Killmaster, Danusban, Dhanusban, Geodinfos, Piridane, Bonidel, Coroban, Lentrek, Pyrinex, Spannit, Stipend, Tafaban, Brodan, Durmet, Equity

Molecular Formula:	C₉H₁₁Cl₃NO₃PS	Molecular Weight:	350.586301 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: SBPBAQFWLVIOKP-UHFFFAOYSA-N

• Dacarbazine

IUPAC Name: (5Z)-5-(dimethylaminohydrazinylidene)imidazole-4-carboxamide | CAS Registry Number: 4342-03-4
Synonyms: dacarbazine, Deticene, Biocarbazine, Decarbazine, DTIC-Dome, Biocarbazine R, Imidazole carboxamide, DTIC, ICDT, DTICDome, DTIE, ICDMT, DTIC Dome, Spectrum_000884, Prestwick0_000574, Prestwick1_000574, Prestwick2_000574, Prestwick3_000574, Spectrum2_001148, Spectrum3_000366

Molecular Formula:	C₆H₁₀N₆O	Molecular Weight:	182.183200 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: OMJKFYKNWZZKTK-POHAHGRESA-N

• Deltamethrin

IUPAC Name: [(S)-cyano-[3-(phenoxy)phenyl]methyl] (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate | CAS Registry Number: 52918-63-5
Synonyms: deltamethrin, Decamethrin, Decamethrine, Deltamethrine, Esbecythrin, Crackdown, Deltacide, Deltagran, Stricker, Suspend, Butoss, Cislin, Zodiac, Zorcis, Butox, Decis, DeltaGard, New Musigie, Butoflin, K-Othrine

Molecular Formula:	C₂₂H₁₉Br₂NO₃	Molecular Weight:	505.199160 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: OWZREIFADZCYQD-NSHGMRRFSA-N

• Difenoconazole

IUPAC Name: 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole | CAS Registry Number: 119446-68-3
Synonyms: Dividend, Dragon, Plover, Score, Difenoconazol, Dividend (fungicide), Score EC 250, Difenoconazole [ISO], 36531_RIEDEL, CGA 169374, CID86173, NCGC00163894-01, NCGC00163894-02, LS-155877, C115058, 1-((2-(2-Chloro-4-(4-chlorophenoxy)phenyl)-4-methyl-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole, 1H-1,2,4-Triazole, 1-((2-(2-chloro-4-(4-chlorophenoxy)phenyl)-4-methyl-1,3-dioxolan-2-yl)methyl)-, 1-((2-[2-Chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole, 1-({2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl}methyl)-1H-1,2,4-triazole

Molecular Formula:	C₁₉H₁₇Cl₂N₃O₃	Molecular Weight:	406.262580 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: BQYJATMQXGBDHF-UHFFFAOYSA-N

• Edetic acid

IUPAC Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid | CAS Registry Number: 60-00-4
Synonyms: Edathamil, Endrate, EDTA, Versene acid, Sequestrol, Titriplex, Havidote, Cheelox, Versene, Sequestric acid, Warkeelate acid, Gluma cleanser, Sequestrene aa, Universne acid, Komplexon ii, Quastal Special, Tetrine acid, Dissolvine E, Trilon bw, Metaquest A

Molecular Formula:	C₁₀H₁₆N₂O₈	Molecular Weight:	292.242640 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	10

InChIKey: KCXVZYZYPLLWCC-UHFFFAOYSA-N

• Endosulfan

Synonyms: endosulfan, Benzoepin, Thiodan, Thionex, Chlorthiepin, Insectophene, Rasayansulfan, Devisulphan, Endosulphan, Thiosulfan, Crisulfan, Thionate, Endocel, Endotaf, Thiotox, Beosit, Hildan, Phaser, Sialan, Thifor

Molecular Formula:	C₉H₆Cl₆O₃S	Molecular Weight:	406.925140 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: RDYMFSUJUZBWLH-UHFFFAOYSA-N

• Faltan

IUPAC Name: 2-(trichloromethylsulfanyl)isoindole-1,3-dione | CAS Registry Number: 133-07-3
Synonyms: Folpet, Orthophaltan, Acryptan, Fungitrol, Phthaltan, Spolacid, Thiophal, Vinicoll, Faltex, Folnit, Folpan, Folpel, Ftalan, Fungitrol II, Intercide TMP, Cosan I, Folpel [French], Fungitrol 11, Ortho phaltan 50W, PHALTAN

Molecular Formula:	C₉H₄Cl₃NO₂S	Molecular Weight:	296.557560 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: HKIOYBQGHSTUDB-UHFFFAOYSA-N

• Famotidine

IUPAC Name: 3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N'-sulfamoylpropanimidamide | CAS Registry Number: 76824-35-6
Synonyms: famotidine, Gastridin, Pepcidine, Quamatel, Famodil, Pepdine, Gaster, Pepdul, Apogastine, Gastrodomina, Gastrosidin, Supertidine, Antodine, Bestidine, Blocacid, Confobos, Digervin, Dispromil, Dispronil, Fagastine

Molecular Formula:	C₈H₁₅N₇O₂S₃	Molecular Weight:	337.445400 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	9

InChIKey: XUFQPHANEAPEMJ-UHFFFAOYSA-N

• Fenitrothion

IUPAC Name: dimethoxy-(3-methyl-4-nitrophenoxy)-sulfanylidene-$l^{5}-phosphane | CAS Registry Number: 122-14-5
Synonyms: Phenitrothion, FENITROTHION, Methylnitrophos, Folithion, Metathion, Nitrophos, Sumithion, Cekutrothion, Fentrothione, Metathionine, Oleosumifene, Metathione, Sumithione, Accothion, Agrothion, Falithion, Fenition, Metation, Novathion, Ovadofos

Molecular Formula:	C₉H₁₂NO₅PS	Molecular Weight:	277.234041 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: ZNOLGFHPUIJIMJ-UHFFFAOYSA-N

• Food Grade Sodium Tripolyphosphate

IUPAC Name: diphosphono hydrogen phosphate | CAS Registry Number: 7758-29-4
Synonyms: triphosphate, triphospate, tripolyphosphate, Triphosphoric acid, Triphosphorsaeure, (Phosphate)n, Inorganic triphosphate, PPPi, (Phosphate)n+1, (Phosphate)n-1, Triphosphate analogs, acide triphosphorique, catena-triphosphoric acid, P3,i, diphosphono hydrogen phosphate, CID983, Bis(phosphonooxy)phosphinic acid, CHEBI:39949, H5P3O10, AIDS095248

Molecular Formula:	H₅O₁₀P₃	Molecular Weight:	257.954983 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	10

InChIKey: UNXRWKVEANCORM-UHFFFAOYSA-N

• Frusemide

IUPAC Name: 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid | CAS Registry Number: 54-31-9
Synonyms: furosemide, Lasix, Furanthril, Furosemid, Fursemide, Errolon, Fusid, Fuluvamide, Furanthryl, Macasirool, Furantril, Lowpstron, Aisemide, Beronald, Desdemin, Frusemid, Frusemin, Fursemid, Prefemin, Rosemide

Molecular Formula:	C₁₂H₁₁ClN₂O₅S	Molecular Weight:	330.744140 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	7

InChIKey: ZZUFCTLCJUWOSV-UHFFFAOYSA-N

• Hexythiazox

IUPAC Name: (4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide | CAS Registry Number: 78587-05-0
Synonyms: Savey, Acarflor, Acariflor, Nissorun, Calibre, Matacar, Ordoval, Cesar, Trevi, Zeldox (acaricide), (S,S)-hexythiazox, Hexythiazox [BSI:ISO], PS1079_SUPELCO, 33365_RIEDEL, CHEBI:39328, NA 73, DPX Y5893-9, NCGC00164261-02, LS-151154, (4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide

Molecular Formula:	C₁₇H₂₁ClN₂O₂S	Molecular Weight:	352.878840 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: XGWIJUOSCAQSSV-XHDPSFHLSA-N

• Imidacloprid

IUPAC Name: N-[1-[(6-chloropyridin-3-yl)methyl]-4,5-dihydroimidazol-2-yl]nitramide | CAS Registry Number: 138261-41-3
Synonyms: Confidor, Provado, Admire, Gaucho, Merit, Advantage, Confidor SL, Premise 75, Merit (insecticide), (E)-imidacloprid, (Z)-imidacloprid, IMAZETHAPYR, Confidor 200 SL, Imidacloprid solution, Imidacloprid (old RN), Imidacloprid [ISO], Advantage Flea Adulticide, PS2086_SUPELCO, Bayer Brand of Imidacloprid, CP 1

Molecular Formula:	C₉H₁₀ClN₅O₂	Molecular Weight:	255.661000 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: YWTYJOPNNQFBPC-UHFFFAOYSA-N

• INJECTION (CAS: 9004-17-5)

• Levosimendan

IUPAC Name: 2-[[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]hydrazinylidene]propanedinitrile | CAS Registry Number: 141505-33-1
Synonyms: Simdax, LEVOSIMENDAN, Levosimedan, Simendan, Levosimendan [INN], Simdax (TN), Levosimendan (USAN/INN), CHEBI:50567, (-)-OR-1259, CID3033825, DB00922, LS-120045, TL8000754, D04720, (R)-((4-(1,4,5,6-Tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl)hydrazono)propanedinitrile, Mesoxalonitrile (-)-(p((R)-1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl)hydrazone, ((4-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl)hydrazono)propanedinitrile, ((4-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl)hydrazono\r\n)propanedinitrile, Mesoxalonitrile (p-((R)-1,4,5,6-tetrahydro-4-methyl-6-oxo-pyridazinyl)phenyl)hydrazone, ({4-[(4R)-4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl]phenyl}hydrazono)propanedintrile

Molecular Formula:	C₁₄H₁₂N₆O	Molecular Weight:	280.284680 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: WHXMKTBCFHIYNQ-SECBINFHSA-N

• Malathion

IUPAC Name: diethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate | CAS Registry Number: 121-75-5
Synonyms: malathion, Mercaptothion, Carbophos, Carbofos, Karbofos, Maldison, Oleophosphothion, Phosphothion, Chemathion, Ethiolacar, Fosfothion, Fosfotion, Malaspray, Carbetox, Malagran, Malakill, Malaphos, Malathon, Moscarda, Prioderm

Molecular Formula:	C₁₀H₁₉O₆PS₂	Molecular Weight:	330.358021 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: JXSJBGJIGXNWCI-UHFFFAOYSA-N

• Mancozeb

IUPAC Name: zinc; manganese(2+); N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate | CAS Registry Number: 8018-01-7
Synonyms: Dithane, Manzeb, MANCOZEB, 1,2-Ethanedicarbamic acid, tetrathio-, ethylenebisdithiocarbamate manganese-zinc, NCGC00168344-01, LS-63091, C15225, C013099, manganese(2+) ethane-1,2-diylbis(dithiocarbamate) zinc ethane-1,2-diylbis(dithiocarbamate), 12656-69-8, 172672-41-2

Molecular Formula:	C₈H₁₂MnN₄S₈Zn	Molecular Weight:	541.074729 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	4

InChIKey: CHNQZRKUZPNOOH-UHFFFAOYSA-J

• Metalaxyl

IUPAC Name: methyl 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate | CAS Registry Number: 57837-19-1
Synonyms: Ridomil, Jiashuangling, Allegiance, Metalaxil, Metanaxin, Metaxanin, Metasyl, Subdue, Apron, METALAXYL, Ridomil Vino, Mefenoxam, Apron FL, Ridomil 2E, Subdue 2E, Subdue 5SP, Apron 2E, Ridomil 72WP, (+-)-Metalaxyl, (R)-Metalaxyl

Molecular Formula:	C₁₅H₂₁NO₄	Molecular Weight:	279.331540 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: ZQEIXNIJLIKNTD-UHFFFAOYSA-N

• Methidathion

IUPAC Name: 3-(dimethoxyphosphinothioylsulfanylmethyl)-5-methoxy-1,3,4-thiadiazol-2-one | CAS Registry Number: 950-37-8
Synonyms: Suprathion, Supracid, Ultracid, Ultracide, Somonil, Supracide Ulvair, Methidathion 50S, SUPRACIDE, Ultracid 40, Ultracid EC 40, DMTP (insecticide), Metidation [Polish], Caswell No. 378B, Ultracide Ulvair 250, Fisons NC 2964, Geigy 13005, Geigy GS-13005, Ciba-Geigy GS 13005, CCRIS 7085, Methidathion [ANSI:BSI:ISO]

Molecular Formula:	C₆H₁₁N₂O₄PS₃	Molecular Weight:	302.331301 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: MEBQXILRKZHVCX-UHFFFAOYSA-N

• Methomyl

IUPAC Name: methyl N-(methylcarbamoyloxy)ethanimidothioate | CAS Registry Number: 16752-77-5
Synonyms: methomyl, Lannate, Mesomile, Methomex, Nudrin, Lannate L, Lannate LV, Nu-bait ii, Methomyl lannate, Metomil [Italian], Lannate 20, Lanox 90, Methomyl (lannate), Insecticide 1,179, Caswell No. 549C, Dupont 1179, Lanox 216, 20, Lannate, Rcra waste number P066, RCRA waste no. P066

Molecular Formula:	C₅H₁₀N₂O₂S	Molecular Weight:	162.210100 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: UHXUZOCRWCRNSJ-QPJJXVBHSA-N

• Mitiglinide Calcium

IUPAC Name: calcium (2S)-4-[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-benzyl-4-oxobutanoate | CAS Registry Number: 145525-41-3
Synonyms: Mitiglinide, Mitiglinide calcium, Kad-1229, KAD 1229, 2C19H24NO3.Ca, CID5478927, LS-173249, C13326, S21403, 2-Benzyl-3-(hexahydro-2-isoindolinylcarbonyl)propionate, Calcium 2-benzyl-3-(cis-hexahydro-2-isoindolinylcarbonyl)propionate dihydrate, 2H-Isoindole-2-butanoic acid, octahydro-gamma-oxo-alpha-(phenylmethyl)-, calcium salt, (2(S)-cis)-

Molecular Formula:	C₃₈H₄₈CaN₂O₆	Molecular Weight:	668.875520 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: PMRVFZXOCRHXFE-FMEJWYFOSA-L

• Molsidomine

IUPAC Name: 1-ethoxy-N-(3-morpholin-4-yloxadiazol-3-ium-5-yl)methanimidate | CAS Registry Number: 25717-80-0
Synonyms: molsidomine, Molsidolat, Corvaton, morsydomine, Motazomin, Morial, Molsidomin, Sydnopharm, Korvatone, Prestwick_863, Molsidominum [INN-Latin], Molsidomina [INN-Spanish], Prestwick3_000547, Lopac-M-2901, SIN-10, BSPBio_000593, MLS000028573, MLS001146942, MLS002153869, SPECTRUM1500673

Molecular Formula:	C₉H₁₄N₄O₄	Molecular Weight:	242.231860 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	7

InChIKey: XLFWDASMENKTKL-UHFFFAOYSA-N

• Nateglinide

IUPAC Name: (2R)-3-phenyl-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]propanoic acid | CAS Registry Number: 105816-04-4
Synonyms: nateglinide, Starlix, Starsis, Fastic, Trazec, Ambap5430, MLS000759500, MLS001424043, SDZ-DJN-608, DJN-608, YM-026, AY-4166, CPD000466372, SAM001246721, SMR000466372, TL8000218, A-4166, N-{[trans-4-(propan-2-yl)cyclohexyl]carbonyl}-D-phenylalanine

Molecular Formula:	C₁₉H₂₇NO₃	Molecular Weight:	317.422580 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: OELFLUMRDSZNSF-OFLPRAFFSA-N

• Olopatadine

IUPAC Name: 2-[(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid | CAS Registry Number: 113806-05-6
Synonyms: Patanol, Opatanol, OLOPATADINE HYDROCHLORIDE, Olopatadine [INN:BAN], Allelock, UNII-D27V6190PM, AC1NQXZH, KW-4943A, BIDD:GT0285, HMS2089K10, KW 4679, KW-4679, 140462-76-6 (hydrochloride), SBB066095, STK624184, DB00768, LS-172239, TL8000403, FT-0082377, 11-(3-(dimethylamino)propylidene)-6,11-dihydrodibenz(b,e)oxepin-2-acetic acid

Molecular Formula:	C₂₁H₂₃NO₃	Molecular Weight:	337.412220 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: JBIMVDZLSHOPLA-LSCVHKIXSA-N

• Oxaliplatin

IUPAC Name: (1R,2R)-cyclohexane-1,2-diamine; oxalate; platinum(2+) | CAS Registry Number: 61825-94-3
Synonyms: oxaliplatin, oxalate, Oxalatoplatin, Oxalatoplatinum, Eloxatin, Eloxatin (TN), platinum(+2) cation, Oxaliplatinum [Latin], Oxaloplatine [French], Oxaliplatino [Spanish], Oxaloplatino [Spanish], Oxaliplatin (JAN/USAN/INN), Oxaliplatin [USAN:INN:BAN], (1R,2R)-cyclohexane-1,2-diamine, DB00526, D01790

Molecular Formula:	C₈H₁₄N₂O₄Pt	Molecular Weight:	397.285760 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: ZROHGHOFXNOHSO-BNTLRKBRSA-L

• Pazufloxacin

Synonyms: 127045-41-4, Pazufloxacin [INN], UNII-4CZ1R38NDI, CCRIS 7312, T 3761, T-3761, C16H15FN2O4, NCGC00167534-01, DSSTox_CID_26697, DSSTox_RID_81831, DSSTox_GSID_46697, 7H-Pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid, 10-(1-aminocyclopropyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-, (S)-, (-)-(3S)-10-(1-Aminocyclopropyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid, 7H-Pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid, 2,3-dihydro-10-(1-aminocyclopropyl)-9-fluoro-3-methyl-7-oxo-, (S)-, SMR000466380, CAS-127045-41-4, Pazufloxacine, Pazufloxacino, Pazufloxacinum, PZFX

Molecular Formula:	C₁₆H₁₅FN₂O₄	Molecular Weight:	318.304 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	7

InChIKey: XAGMUUZPGZWTRP-ZETCQYMHSA-N

• Penconazole

IUPAC Name: 1-[2-(2,4-dichlorophenyl)pentyl]-1,2,4-triazole | CAS Registry Number: 66246-88-6
Synonyms: Topaze, Onmex, Penconazol, Topaze C, Topas C, Topas MZ, Penconazole [BSI:ISO], 36189_RIEDEL, EINECS 266-275-6, CGA 71818, BRN 0541488, NCGC00166157-01, LS-155946, 1-(2-(2,4-Dichlorophenyl)pentyl)-1H-1,2,4-triazole, 5-26-01-00149 (Beilstein Handbook Reference), C087058, 1H-1,2,4-Triazole, 1-(2-(2,4-dichlorophenyl)pentyl)-, 1-(2,4-dichloro-beta-propylphenethyl)-1H-1,2,4-triazole, 1H-1,2,4-Triazole, 1-[2-(2,4-dichlorophenyl)pentyl]-, 87501-25-5

Molecular Formula:	C₁₃H₁₅Cl₂N₃	Molecular Weight:	284.184300 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: WKBPZYKAUNRMKP-UHFFFAOYSA-N

• Perfluorobutanesulfonyl Fluoride

IUPAC Name: 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl fluoride | CAS Registry Number: 375-72-4
Synonyms: Perfluorobutanesulfonyl fluoride, 319732_ALDRICH, Perfluoro-1-butanesulfonyl fluoride, 87583_FLUKA, CID67814, EINECS 206-792-6, Nonafluoro-1-butanesulfonyl fluoride, 3S210997, 1,1,2,2,3,3,4,4,4-Nonafluoro-1-butanesulfonyl fluoride, 1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulphonyl fluoride, 1-Butanesulfonyl fluoride, 1,1,2,2,3,3,4,4,4-nonafluoro-

Molecular Formula:	C₄F₁₀O₂S	Molecular Weight:	302.090632 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	12

InChIKey: LUYQYZLEHLTPBH-UHFFFAOYSA-N

• Perfluorooctane Surfapropyl Betaine

• perfluorooctanesulfonate amine

IUPAC Name: azane;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid

Molecular Formula:	C₈H₄F₁₇NO₃S	Molecular Weight:	517.157 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	21

InChIKey: UAWBWGUIUMQJIT-UHFFFAOYSA-N

• Perfluorooctanesulfonyl fluoride

IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonyl fluoride | CAS Registry Number: 307-35-7
Synonyms: HSDB 5561, N-Perfluorooctanesulfonyl fluoride, 319724_ALDRICH, Perfluoro-1-octanesulfonyl fluoride, EINECS 206-200-6, Heptadecafluorooctanesulphonyl fluoride, PERFLUOROOCTYLSULFONYL FLUORIDE, BB_SC-0318, Heptadecafluorooctanesulfonyl fluoride, LS-195243, 1-Octanesulfonyl fluoride, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonyl fluoride, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonyl fluoride

Molecular Formula:	C₈F₁₈O₂S	Molecular Weight:	502.120658 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	20

InChIKey: BHFJBHMTEDLICO-UHFFFAOYSA-N

• Perfluorotributylamine

IUPAC Name: 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)butan-1-amine | CAS Registry Number: 311-89-7
Synonyms: Fluosol 43, PFTBA, Fluorocarbon FC 43, Tris(nonafluorobutyl)amine, Fluorinert FC 43, Mediflor FC 43, Tri(perfluorobutyl)amine, Tri(nonafluorobutyl)amine, Tris(perfluorobutyl)amine, Fluorinert FC-43, FTBA, HEPTACOSAFLUOROTRIBUTYLAMINE, Tributylamine, heptacosafluoro-, FC 43, FC 47, HSDB 7103, 442747U_SUPELCO, H5262_SIGMA, Perfluorotributylamine (PFTBA), NSC 3501

Molecular Formula:	C₁₂F₂₇N	Molecular Weight:	671.091986 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	28

InChIKey: RVZRBWKZFJCCIB-UHFFFAOYSA-N

• Perfluorotriethylamine

IUPAC Name: 1,1,2,2,2-pentafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)ethanamine | CAS Registry Number: 359-70-6
Synonyms: Pentadecafluorotriethylamine, Tri(perfluoroethyl)amine, Triethylamine, perfluoro-, Tris(pentafluoroethyl)amine, 397156_ALDRICH, EINECS 206-632-5, BRN 1813672, LS-64913, Triethylamine, pentadecafluoro- (6CI,7CI,8CI), 4-02-00-00471 (Beilstein Handbook Reference), Ethanamine, 1,1,2,2,2-pentafluoro-N,N-bis(pentafluoroethyl)-, N,N-Bis(pentafluoroethyl)-1,1,2,2,2-pentafluoroethanamine, Ethanamine, N,N-bis(pentafluoroethyl)-1,1,2,2,2-pentalfluoro-, Ethanamine, 1,1,2,2,2-pentafluoro-N,N-bis(pentafluoroethyl)- (9CI)

Molecular Formula:	C₆F₁₅N	Molecular Weight:	371.046948 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	16

InChIKey: CBEFDCMSEZEGCX-UHFFFAOYSA-N

• Perfluorotripropylamine (CAS: 339-83-0)

• Pharmaceutical Intermediates

• Picloram

IUPAC Name: 4-amino-3,5,6-trichloropyridine-2-carboxylic acid | CAS Registry Number: 1918-02-1
Synonyms: PICLORAM, Borolin, Tordon, Amdon, Grazon, Amdon grazon, Access, K-Pin, Tordon 10K, Tordon 22K, Tordon 101 mixture, Grazon PC, ATCP, Tordon 2K, Tordon(R), Grazon P+D, Caswell No. 039, Grazon 10K, Tordon 2 K, Piclorame [ISO-French]

Molecular Formula:	C₆H₃Cl₃N₂O₂	Molecular Weight:	241.459220 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: NQQVFXUMIDALNH-UHFFFAOYSA-N

• Potassium Perfluorobutanesulfonate

IUPAC Name: potassium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate | CAS Registry Number: 29420-49-3
Synonyms: EINECS 249-616-3, 3S102880, Potassium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulphonate, 1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonic acid, potassium salt, 1-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-, potassium salt

Molecular Formula:	C₄F₉KO₃S	Molecular Weight:	338.189929 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	12

InChIKey: LVTHXRLARFLXNR-UHFFFAOYSA-M

• potassium perfluorooctanesulfonate

IUPAC Name: potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate | CAS Registry Number: 2795-39-3
Synonyms: Potassium PFOS, Fluorad FC 95, Floral FC 95, PFOS, Perfluorooctane sulfonate, Potassium perfluorooctanesulfonate, FC 95, 77282_FLUKA, EINECS 220-527-1, NSC 18405, AI3-50950, Potassium heptadecafluorooctane-1-sulfonate, Perfluorooctanesulfonic acid, potassium salt, Potassium heptadecafluorooctane-1-sulphonate, LS-97934, Perfluorooctanesulfonic acid potassium salt, Potassium heptadecafluoro-1-octanesulfonate, Heptadecafluorooctanesulfonic acid, potassium salt, Heptadecafluorooctanesulfonic acid potassium salt, 1-Octanesulfonic acid, heptadecafluoro-, potassium salt

Molecular Formula:	C₈F₁₇KO₃S	Molecular Weight:	538.219954 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	20

InChIKey: WFRUBUQWJYMMRQ-UHFFFAOYSA-M

• Potassium Perflurohexanesulfonate

IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonate | CAS Registry Number: 108427-53-8
Synonyms: perfluorohexanesulfonate, DTXSID80873012, NCGC00163913-03, Tridecafluorohexane-1-sulfonic acid anion

Molecular Formula:	C₆F₁₃O₃S-	Molecular Weight:	399.102 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	16

InChIKey: QZHDEAJFRJCDMF-UHFFFAOYSA-M

• Propiconazole

IUPAC Name: 1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole | CAS Registry Number: 60207-90-1
Synonyms: PROPICONAZOLE, Tilt, Banner, Desmel, Orbit, Radar, Propyconazol, Caswell No. 323EE, Propiconazole solution, Propiconazole [BSI:ISO], PS1075_SUPELCO, Oprea1_008846, Oprea1_352194, HSDB 6731, MLS000525333, C15H17Cl2N3O2, 45642_RIEDEL, 45899_RIEDEL, CGD 92710F, EINECS 262-104-4

Molecular Formula:	C₁₅H₁₇Cl₂N₃O₂	Molecular Weight:	342.220380 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: STJLVHWMYQXCPB-UHFFFAOYSA-N