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• Thio-TEPA

IUPAC Name: tris(aziridin-1-yl)-sulfanylidene-$l^{5}-phosphane | CAS Registry Number: 52-24-4
Synonyms: thiotepa, Thiophosphamide, Tiofosfamid, Thiofozil, Tespamin, Tiofosyl, Tiofozil, Oncotiotepa, Tespamine, Girostan, Oncotepa, Thiotef, Tifosyl, Stepa, Oncothio-tepa, Ledertepa, Tio-tef, Thio-Tep, THIO-TEPA, Thioplex

Molecular Formula:	C₆H₁₂N₃PS	Molecular Weight:	189.218341 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: FOCVUCIESVLUNU-UHFFFAOYSA-N

• Tiamulin

Synonyms: Denagard, Tiamulin pamoate, Denagard (TN), Tiamulin (USAN/INN), CID656958, C12065, D06127, MUL, (4R,5S,6S,8R,9AR,10R)-5-HYDROXY-4,6,9,10-TETRAMETHYL-1-OXO-6-VINYLDECAHYDRO-3A,9-PROPANOCYCLOPENTA[8]ANNULEN-8-YL {[2-(DIETHYLAMINO)ETHYL]SULFANYL}ACETATE

Molecular Formula:	C₂₈H₄₇NO₄S	Molecular Weight:	493.742080 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: UURAUHCOJAIIRQ-QGLSALSOSA-N

• Ticlopidine hydrochloride

IUPAC Name: 5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine hydrochloride | CAS Registry Number: 53885-35-1
Synonyms: Ticlid, ticlopidine, Panaldine, Ticlodone, Ticlodix, Tiklid, Ticlopidine HCL, Aplaket, Ipaton, Tiklyd, Prestwick_502, TICLOPIDINE HYDROCHLORIDE, Ticlid (TN), Ambap3563, C14H14ClNS.HCl, MLS000028579, MLS000083578, MLS001401394, T6654_SIGMA, EINECS 258-837-4

Molecular Formula:	C₁₄H₁₅Cl₂NS	Molecular Weight:	300.246600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: MTKNGOHFNXIVOS-UHFFFAOYSA-N

• Tilmicosin

IUPAC Name: (2E,4E,6R,7R,11R,12S,13S,14R,16R)-13-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-14-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-7-ethyl-11-hydroxy-6-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-4,12,16-trimethyl-8-oxacyclohexadeca-2,4-diene-1,9-dione | CAS Registry Number: 108050-54-0
Synonyms: Micotil, Micotil (TN), Micotil 300, Ambap2462, Tilmicosin (USP/INN), Tilmicosine [INN-French], Tilmicosinum [INN-Latin], Tilmicosina [INN-Spanish], Tilmicosin [USAN:INN:BAN], HSDB 7446, C46H80N2O13, LS-172063, D02492, 4(sup A)-O-de(2,6-Dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-20-deoxo-20-(cis-3,5-dimethylpiperidino)tylosin, tms, Tylosin, 4(sup A)-O-de(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-20-deoxo-20-(3,5-dimethyl-1-piperidinyl)-, 20(cis)-, Tylosin, 4A-O-de(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-20-deoxo-20-(3,5-dimethyl-1-piperidinyl)-

Molecular Formula:	C₄₆H₈₀N₂O₁₃	Molecular Weight:	869.133000 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	15

InChIKey: JTSDBFGMPLKDCD-XVFHVFLVSA-N

• Tolperisone hydrochloride

IUPAC Name: 2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one hydrochloride | CAS Registry Number: 3644-61-9
Synonyms: Muscalm, Midocalm, Mydocalm, Muscalm (TN), C16H23NO.HCl, SPECTRUM1501194, EINECS 222-876-5, Tolperisone hydrochloride (JP15), AV 650, N-553, NCGC00094929-01, NCGC00094929-02, LS-125221, D01507, 2,4'-Dimethyl-3-piperidinopropiophenone hydrochloride, 2-Methyl-3-piperidino-1-p-tolylpropan-1-one hydrochloride, Propiophenone, 2,4'-dimethyl-3-piperidino-, hydrochloride, 1-Piperidino-2-methyl-3-(p-tolyl)-3-propanone hydrochloride, 1-Propanone, 2-methyl-1-(4-methylphenyl)-3-(1-piperidinyl)-, hydrochloride

Molecular Formula:	C₁₆H₂₄ClNO	Molecular Weight:	281.820860 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: ZBUVYROEHQQAKL-UHFFFAOYSA-N

• Tolterodine

IUPAC Name: 2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol | CAS Registry Number: 124937-51-5
Synonyms: tolterodine, (+)-Tolterodine, MLS001195620, MLS001304745, CHEBI:9622, KS-1121, NCGC00159519-02, SMR000596518, LS-187278, (+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl)-p-cresol, 2-[(1R)-3-(diisopropylamino)-1-phenylpropyl]-4-methylphenol, 2-{(1R)-3-[bis(1-methylethyl)amino]-1-phenylpropyl}-4-methylphenol

Molecular Formula:	C₂₂H₃₁NO	Molecular Weight:	325.487640 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: OOGJQPCLVADCPB-HXUWFJFHSA-N

• Topiramate

Synonyms: topiramate, Topamax, Epitomax, Topamax Sprinkle, Topimax, Topina, Topiramic acid, Tipiramate [French], Tipiramato [Spanish], topiramatum [Latin], Topiramate (TPM), Topamax (TN), Topiramatum [INN-Latin], Topiramate / Placebo, Topiramato [INN-Spanish], McN-4853, Cilag brand of topiramate, Ortho brand of topiramate, Spectrum2_001128, McN 4853

Molecular Formula:	C₁₂H₂₁NO₈S	Molecular Weight:	339.362040 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	9

InChIKey: KJADKKWYZYXHBB-XBWDGYHZSA-N

• Topotecan

Synonyms: topotecan, Hycamptamine, Hycamtamine, Hycamtin, Topotecan lactone, Hycamptin, Topotecan Hcl, Topotecane [INN-French], Topotecanum [INN-Latin], Topotecan [INN:BAN], TOPOTECAN, HYCAMTIN, NCIStruc1_001659, NCIStruc2_001796, BSPBio_002348, MLS000759456, TOPOTECAN HYDROCHLORIDE, NChemBio.2007.10-comp24, AIDS016393, C23H23N3O5, NSC609699 (HCL)

Molecular Formula:	C₂₃H₂₃N₃O₅	Molecular Weight:	421.445820 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	7

InChIKey: UCFGDBYHRUNTLO-QHCPKHFHSA-N

• TOSUFLOXACIN FACT. STANDARD

IUPAC Name: 7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid | CAS Registry Number: 108138-46-1
Synonyms: Tosufloxacin, TFLX, Abbott 61827, Tosufloxacin (USAN), Tosufloxacin (unspecified), UNII-GHJ553KQPS, CCRIS 6304, CID5517, C19H15F3N4O3, CHEBI:115423, AIDS007807, HMS2090B18, AIDS-007807, BRN 4913117, AC-3509, NCGC00167536-01, 100490-94-6 (4-toluene sulfonate), A 61827, LS-95917, LS-95918

Molecular Formula:	C₁₉H₁₅F₃N₄O₃	Molecular Weight:	404.342610 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	10

InChIKey: WUWFMDMBOJLQIV-UHFFFAOYSA-N

• Triamcinolone acetonide

Synonyms: Kenalog, Polcortolon, Aristoderm, Aristogel, Triaceton, Tricinolon, Azmacort, Kenalone, Nasacort, Solodelf, Tramacin, Flutone, Rineton, Vetalog, Triam-Injekt, Aristocort, Acetospan, Adcortyl A, Kenacort-A, Triacet

Molecular Formula:	C₂₄H₃₁FO₆	Molecular Weight:	434.497743 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	7

InChIKey: YNDXUCZADRHECN-JNQJZLCISA-N

• Urapidil

IUPAC Name: 6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3-dimethylpyrimidine-2,4-dione | CAS Registry Number: 34661-75-1
Synonyms: urapidil, Ebrantil, Eupressyl, Mediatensyl, Uraprene, Ebrantil (TN), Urapidil hydrochloride, Urapidilum [INN-Latin], Spectrum_001360, Tocris-1772, SpecPlus_000683, Lopac-U-100, Urapidil [BAN:INN:JAN], Prestwick0_000905, Prestwick1_000905, Prestwick2_000905, Prestwick3_000905, Spectrum2_001172, Spectrum3_001557, Spectrum4_000233

Molecular Formula:	C₂₀H₂₉N₅O₃	Molecular Weight:	387.475960 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: ICMGLRUYEQNHPF-UHFFFAOYSA-N

• Urokinase (CAS: 9039-53-6)

• valacyclovir

IUPAC Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methylbutanoate | CAS Registry Number: 124832-26-4
Synonyms: Valaciclovir, Valtrex, Acetylpromazine, Zelitrex, Talavir, Virval, Acyclovir-valine, Valaciclovir Hcl, ValACV, ACEPROMAZINE, VACV, Valaciclovir, Valtrex, Valacyclovir hydrochloride, Valacyclover Hydrochloric, Valaciclovir hydrochloride, Valacyclover Hydrochloride, Valaciclovir [INN:BAN], valacyclovir, (L)-isomer, BSPBio_002474, MLS001304747

Molecular Formula:	C₁₃H₂₀N₆O₄	Molecular Weight:	324.335700 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	9

InChIKey: HDOVUKNUBWVHOX-QMMMGPOBSA-N

• Valsartan

IUPAC Name: (2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid | CAS Registry Number: 137862-53-4
Synonyms: valsartan, Diovan, Exforge, Mixture Name, Diovan Hct, Diovan (TN), Valsartan [USAN:INN], Spectrum_001796, Spectrum2_001120, Spectrum3_001831, Spectrum4_000749, Spectrum5_001582, BSPBio_003501, KBioGR_001078, KBioSS_002289, MLS000759423, MLS001424088, Valsartan (JAN/USAN/INN), SPECTRUM1505209, SPBio_001260

Molecular Formula:	C₂₄H₂₉N₅O₃	Molecular Weight:	435.518760 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	7

InChIKey: ACWBQPMHZXGDFX-QFIPXVFZSA-N

• Vardenafil

IUPAC Name: 2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-methyl-7-propyl-1H-imidazo[5,1-f][1,2,4]triazin-4-one | CAS Registry Number: 224785-90-4
Synonyms: Levitra, VARDENAFIL, LEVITRA, BSPBio_002392, HSDB 7304, STOCK6S-20068, CID110634, DB00862, BAY 38-9456, NCGC00167533-01, LS-111467, VDN, 2-(2-Ethoxy-5-(4-ethylpiperazin-1-yl-1-sulfonyl)phenyl)-5-methyl-7-propyl-3H-imidazo(5,1-f)(1,2,4)triazin-4-one, Piperazine, 1-((3-(1,4-dihydro-5-methyl-4-oxo-7-propylimidazo(5,1-f)(1,2,4)triazin-2-yl)-4-ethoxyphenyl)sulfonyl)-4-ethyl-, 1-((3-(3,4-Dihydro-5-methyl-4-oxo-7-propylimidazo(5,1-f)-as-triazin-2-yl)-4-ethoxyphenyl)sulfonyl)-4-ethylpiperazine, 2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-methyl-7-propyl-1H-imidazo[5,1-f][1,2,4]triazin-4-one, 2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-5-METHYL-7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN-4(1H)-ONE

Molecular Formula:	C₂₃H₃₂N₆O₄S	Molecular Weight:	488.602980 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	9

InChIKey: SECKRCOLJRRGGV-UHFFFAOYSA-N

• Vincristine

Synonyms: vincristine, Leurocristine, Vincrystine, Vinkristin, Indole alkaloid, 22-Oxovincaleukoblastine, Vincrstine, Oncovine, Vincrisul, Vincristina [DCIT], Onco TCS, Vincristine sulfate, Liposomal Vincristine, Vincristinum [INN-Latin], Vincristine [INN:BAN], Z-D-Val-Lys(Z)-OH, Vincaleukoblastine, 22-oxo-, CCRIS 5763, HSDB 3199, Oncovin (1:1 sulfate salt)

Molecular Formula:	C₄₆H₅₆N₄O₁₀	Molecular Weight:	824.957640 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	13

InChIKey: OGWKCGZFUXNPDA-XQKSVPLYSA-N

• Vinorelbine

Synonyms: vinorelbine, Navelbine, Eunades, ANX-530, SDP-012, KW-2307, NCGC00165966-02, methyl (2b,3b,4b,5a,12b,19a)-4-(acetyloxy)-15-[(6R,8S)-4-ethyl-8-(methoxycarbonyl)-1,3,6,7,8,9-hexahydro-2,6-methanoazecino[4,3-b]indol-8-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate, NVB

Molecular Formula:	C₄₅H₅₄N₄O₈	Molecular Weight:	778.932260 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	12

InChIKey: GBABOYUKABKIAF-IELIFDKJSA-N

• Vitamin B6

IUPAC Name: (5-hydroxy-4,6-dimethylpyridin-3-yl)methyl phosphate | CAS Registry Number: 8059-24-3
Synonyms: Adermine, vitamin B6, vitamin H, Vitamin B 6, 4-Deoxypyridoxine 5'-phosphate, EINECS 232-503-8, CID104817, CPD0-1221, LS-187072, D025101, 883-84-1 NIL |kothari| 3433509441 NIL NIL, 12001-78-4

Molecular Formula:	C₈H₁₀NO₅P-₂	Molecular Weight:	231.142461 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: RBCOYOYDYNXAFA-UHFFFAOYSA-L

• Vitamin K4

IUPAC Name: (4-acetyloxy-2-methylnaphthalen-1-yl) acetate | CAS Registry Number: 573-20-6
Synonyms: Acetomenaphthone, Kapathrom, Kappaxan, Adaprin, Kapilin, Kapilon, Kayvite, Pafavit, Prokayvit oral, Kativ powder, Davitamon-K, Vitavel K, Davitamon-K-oral, Menadiol diacetate, Acetomenaphtone, Vitamin K diacetate, Menadiol di(acetate), Acetomenaphthone [BAN], Acetomenaphtone (JAN), 1,4-Diacetoxy-2-methylnaphthalene

Molecular Formula:	C₁₅H₁₄O₄	Molecular Weight:	258.269260 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: RYWSYCQQUDFMAU-UHFFFAOYSA-N

• Xylazine

IUPAC Name: N-(2,6-dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine | CAS Registry Number: 7361-61-7
Synonyms: xylazine, Xylaxine, Xylazin, Rompun, Prestwick_962, Xylazine hydrochloride, Xylazinum [INN-Latin], Xilazina [INN-Spanish], Spectrum_001267, Prestwick0_000598, Prestwick1_000598, Prestwick2_000598, Prestwick3_000598, Spectrum2_001448, Spectrum3_001472, Spectrum4_000239, Spectrum5_001250, Lopac-X-1251, Lopac0_001249, BSPBio_000476

Molecular Formula:	C₁₂H₁₆N₂S	Molecular Weight:	220.333840 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: BPICBUSOMSTKRF-UHFFFAOYSA-N

• Yohimbine hydrochloride

Synonyms: Antagonil, Yohimbe, YOHIMBINE HYDROCHLORIDE, Aphrodine hydrochloride, Prestwick_961, Yohimbin hydrochloride, Yohimbine monohydrochloride, MLS001306411, Yohimbin hydrochloride [USP], C21H26N2O3.HCl, Yohimbine hydrochloride (USP), EINECS 200-600-4, NSC 19509, AI3-60247, NCGC00094457-01, SMR000058527, LS-162742, EU-0101210, D06671, Yohimban-16-alpha-carboxylic acid, 17-alpha-hydroxy-, methyl ester, hydrochloride

Molecular Formula:	C₂₁H₂₇ClN₂O₃	Molecular Weight:	390.903680 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: PIPZGJSEDRMUAW-VJDCAHTMSA-N

• Zaltoprofen

IUPAC Name: 2-(5-oxo-6H-benzo[b][1]benzothiepin-8-yl)propanoic acid | CAS Registry Number: 89482-00-8
Synonyms: zaltoprofen, Peon, Soleton, Zaltoprofen (+-)-, Peon (TN), Zaltoprofen (unspecified), Zaltoprofen [INN:JAN], Zaltoprofen (JP15/INN), Zaltoprofene [INN-French], Zaltoprofenum [INN-Latin], Zaltoprofeno [INN-Spanish], CN 100, CN-100, C17H14O3S, EINECS 277-973-5, ZC-102, LS-61331, D01547, 10,11-Dihydro-alpha-methyl-10-oxodibenzo(b,f)thiepin-2-acetic acid, (+-)-2-(10,11-Dihydro-10-oxodibenzo(b,f)thiepin-2-yl)propionic acid

Molecular Formula:	C₁₇H₁₄O₃S	Molecular Weight:	298.356260 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: MUXFZBHBYYYLTH-UHFFFAOYSA-N

• Zileuton

IUPAC Name: 1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea | CAS Registry Number: 111406-87-2
Synonyms: ZILEUTON, Zyflo, Leutrol, Zyflo Filmtab, Zyflo CR, Zyflo (TN), Zileutonum [INN-Latin], Abbott 64077, Abbot 64077, Ambap5426, Zileuton (USP/INN), Abbott brand of zileuton, Prestwick0_001090, Zileuton [USAN:BAN:INN], Zileuton [USAN:INN:BAN], MLS000759510, MLS001424079, CTI-02, C11H12N2O2S, CHEBI:10112

Molecular Formula:	C₁₁H₁₂N₂O₂S	Molecular Weight:	236.290180 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: MWLSOWXNZPKENC-UHFFFAOYSA-N

• Ziprasidone hydrochloride monohydrate

IUPAC Name: 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one hydrate hydrochloride | CAS Registry Number: 138982-67-9
Synonyms: Geodon, Ziprasidone, Zeldox, Ziprasidone hydrochloride, Ziprasidone mesylate, Geodon (TN), C21H21ClN4OS.HCl, Ziprasidone hydrochloride [USAN], Ziprasidone hydrochloride (USAN), ZIPRASIDONE HYDROCHLORIDE HYDRATE, ziprasidone hydrochloride, monohydrate, Ziprasidone hydrochloride hydrate (JAN), CP 88,059-1, CP-88059, LS-173039, CP-88059-01, CP 88-059-01, D01939, 2H-Indol-2-one, 5-(2-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)ethyl)-6-chloro-1,3-dihydro-, monohydrochloride, monohydrate, 5-(2-(4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl)ethyl)-6-chloro-2-indolinone monohydrochloride, monohydrate

Molecular Formula:	C₂₁H₂₄Cl₂N₄O₂S	Molecular Weight:	467.411860 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: ZCBZSCBNOOIHFP-UHFFFAOYSA-N

• (-)-Securinine

Synonyms: Securinine, Virosecurinine, Securinin, Securinan-11-one, Securinine, (-)-, Spectrum2_000669, Spectrum3_001977, UPCMLD-DP039, BSPBio_003577, SPECTRUM1505334, SPBio_000737, UPCMLD-DP039:001, KBio3_002957, AIDS002233, AIDS-002233, NSC107413, NSC107414, SBB005941, NCGC00142506-01, NCGC00142506-03

Molecular Formula:	C₁₃H₁₅NO₂	Molecular Weight:	217.263700 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: SWZMSZQQJRKFBP-WZRBSPASSA-N

• (5R,6S)-4-Nitrobenzyl-3-[(2-Aminoethyl)thio]-6-[(1R)-1-Hydroxyethyl]-1-Azabicyclo[3.2.0]hept-2-Ene-7-One-2-Carboxylate Hydrochloride

IUPAC Name: 3-(2-aminoethylsulfanyl)-6-(1-hydroxyethyl)-4-[(4-nitrophenyl)methyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;hydrochloride | CAS Registry Number: 442847-69-0
Synonyms: (5R,6S)-4-Nitrobenzyl-3-[(2-aminoethyl)thio]-6-[(1R)-1-hydroxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-7-one-2-carboxylate hydrochloride, A826528, 3-(2-aminoethylthio)-6-(1-hydroxyethyl)-4-[(4-nitrophenyl)methyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate hydrochloride, 3-(2-azanylethylsulfanyl)-6-(1-hydroxyethyl)-4-[(4-nitrophenyl)methyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate hydrochloride

Molecular Formula:	C₁₈H₂₁ClN₃O₆S-	Molecular Weight:	442.893840 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	8

InChIKey: ROSKEHHJMGEKIA-UHFFFAOYSA-M

• (D)-(+)-Methylalpha-(2-Thienylethamino)(2-Chlorophenyl)acetate.HCl

IUPAC Name: [2-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-yl]methanol | CAS Registry Number: 61337-89-1
Synonyms: 1-(3-hydroxymethylpyridin-2-yl)-4-methyl-2-phenylpiperazine, 337376-18-8, 2-(4-Methyl-2-phenyl-1-piperazinyl)-3-pyridinemethanol, 1-(3-hydroxidmethylpyridine)-2-phenyl-4-methyl-piperazine, Mirtazapine Impurity B, PubChem20817, SureCN1325599, AGN-PC-00C01S, CTK4H1148, MolPort-005-935-437, SBB063505, AKOS010505275, AG-F-14040, AG-L-63314, AC-15710, AK-26183, AK113415, I132, KB-147024, KB-163064

Molecular Formula:	C₁₇H₂₁N₃O	Molecular Weight:	283.368140 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: PYZPABZGIRHQTA-UHFFFAOYSA-N

• (S)-N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenylthio)-2-hydroxy-2-methylpropanamide

IUPAC Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanamide | CAS Registry Number: 90356-78-8
Synonyms: N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)thio]-2-hydroxy-2-methylpropionamide, N-(4-Cyano-3-(trifluoromethyl)phenyl)-3-((4-fluorophenyl)thio)-2-hydroxy-2-methylpropanamide, H-(4-Cyano-3-trifluoromthylphenyl)-3-(4-flourophenylsulfanyl)-2-hydroxy-2-methylpropionamide, Propanamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)thio]-2-hydroxy-2-methyl-, n-(4-cyano-3-(trifluoromethyl)phenyl)-3-((4-fluorophenyl)thio)-2-hydroxy-2-methylpropionamide, N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)thio]-2-hydroxy-2-methylpropanamide, Bicalutamide Sulfide, SureCN899788, KSC486M2N, AGN-PC-0006AA, UNII-135IE10O4Y, CHEMBL171543, CTK3I6626, MolPort-003-987-412, ANW-46053, AKOS015836118, AC-17498, AK-78897, KB-55905, N767

Molecular Formula:	C₁₈H₁₄F₄N₂O₂S	Molecular Weight:	398.374573 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	8

InChIKey: GCGWWKKSGPETMI-UHFFFAOYSA-N

• [(Diphenylmethyl)thio]acetamide

IUPAC Name: 2-benzhydrylsulfanylacetamide | CAS Registry Number: 68524-30-1
Synonyms: 2-[(DIPHENYLMETHYL)THIO]ACETAMIDE, Diphenylmethyl Thioacetamide, 2-Benzhydrylsulfanyl-acetamide, 2-[(Diphenylmethyl)thio]-acetamide, AG-G-64065, PubChem19513, SureCN1537233, 2-(Benzhydrylthio)acetamide;, KSC493O9F, ACE003, 2-(Benzhydrylsulphanyl)acetamide, CTK3J3792, MolPort-005-935-534, 2-(diphenylmethyl)sulfanylethanamide, RW2765, ZINC00009766, 2-[(diphenylmethyl)sulfanyl]acetamide, Acetamide, 2-[(diphenylmethyl)thio]-, AKOS015888234, 2-[(Diphenylmethyl)sulphanyl]acetamide

Molecular Formula:	C₁₅H₁₅NOS	Molecular Weight:	257.350700 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: HCRQRIFRHGPWBH-UHFFFAOYSA-N

• 1-(3-Hydroxymethylpyridin-2-yl)-4-methyl-2-phenylpiperazine

IUPAC Name: methyl (2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride | CAS Registry Number: 141109-19-5
Synonyms: AB1004590

Molecular Formula:	C₁₅H₁₇Cl₂NO₂S	Molecular Weight:	346.271980 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: ZXANKCFSGFEBQW-PFEQFJNWSA-N

• 17α-Hydroxyprogesterone

IUPAC Name: (8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one | CAS Registry Number: 68-96-2
Synonyms: Prodix, Prodox, Gestageno gador, hydroxyprogesterone, Proluton, Setaderm, Oxiprogesteronum, 17-Hydroxyprogesterone, Gestageno, Idrossiprogesterone [DCIT], 17 Hydroxyprogesterone, 17ALPHA-HYDROXYPROGESTERONE, 17-alpha-Hydroxyprogesterone, 17alpha-Hydroxy-progesterone, HSDB 3343, Hydroxyprogesteronum [INN-Latin], Hidroxiprogesterona [INN-Spanish], 17 alpha Hydroxyprogesterone, 17 alpha-Hydroxyprogesterone, 17-Hydroxypregn-4-ene-3,20-dione

Molecular Formula:	C₂₁H₃₀O₃	Molecular Weight:	330.461100 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: DBPWSSGDRRHUNT-CEGNMAFCSA-N

• 4-(3-Methylphenyl)amino-3-PyridineSulfonamide

IUPAC Name: 4-(3-methylanilino)pyridine-3-sulfonamide | CAS Registry Number: 72811-73-5
Synonyms: 4-(3'-methylphenyl)amino-3-pyridinesulfonamide, 4-[(3-methylphenyl)amino]pyridine-3-sulfonamide, 4-(m-Tolylamino)pyridine-3-sulfonamide, 4-(3-toluidino)pyridine-3-sulfonamide, 3-Sulfonamido-4-(3-methylanilino)pyridine, 4-(3-Methylphenyl)Amino-3-Pyridinesulfonamide, 4-(-3-Methylphenyl)amino-3-pyridinesulfonamide, AJ-333/25006115, 4-((3-Methylphenyl)amino)-3-pyridinesulfonamide, 4-[(3-Methylphenyl)amino]-3-pyridinesulfonamide, ZINC00334942, AC1Q6UVL, AC1LGD84, SureCN2876602, Torsemide related compound A, UNII-7GN70NEN27, KSC496S2B, MLS001180446, CTK3J6920, MolPort-003-802-481

Molecular Formula:	C₁₂H₁₃N₃O₂S	Molecular Weight:	263.315520 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: ZXPCUGWAKUIOOF-UHFFFAOYSA-N

• 4-Nitrobenzyl-(1R,5R,6S)-6-[(1R)-1-hydroxyethyl]-2-[(diphenylphosphono)oxy]-1-methylcarbapen-2-em-3-carboxylic acid

IUPAC Name: (4-nitrophenyl)methyl (4R,5R,6S)-3-diphenoxyphosphoryloxy-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate | CAS Registry Number: 90776-59-3
Synonyms: beta-Methyl vinyl phosphate, 3-(Diphenoxy-phosphoryloxy)-6-(1-hy, PubChem15682, SureCN337697, c acid 4-nitro-benzyl ester, MolPort-003-987-420, ACT02863, AC-375, AKOS015919508, BD23080, droxy-ethyl)-4-methyl-7-oxo-1-aza-b, RP17792, icyclo[3.2.0]hept-2-ene-2-carboxyli, AK-49159, BR-49159, TL8005826, FT-0642185, (4R,5R,6S)-3-[(Diphenoxyphosphinyl)oxy]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic Acid (4-Nitrophenyl)methyl Ester, 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[(diphenoxyphosphinyl)oxy]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-, (4-nitrophenyl)methyl ester, (4R,5R,6S)-, 4-NITROBENZYL (4R,5S,6S)-3-(DIPHENYLOXY)PHOSPHORYLOXY-6-[(1R)-1-HYDROXYETHYL]-4-METHYL-7-OXO-1-AZABICYCLO[3,2,0]HEPT-2-ENE-2-CARBOXYLATE

Molecular Formula:	C₂₉H₂₇N₂O₁₀P	Molecular Weight:	594.505842 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	10

InChIKey: STULDTCHQXVRIX-PIYXRGFCSA-N

• 5-Chloro-1-methylimidazole nitrate

IUPAC Name: 4-chloro-3-methyl-1H-imidazol-3-ium nitrate | CAS Registry Number: 4531-53-7
Synonyms: EINECS 224-868-7, 5-Chloro-1-methyl-1H-imidazolium nitrate

Molecular Formula:	C₄H₆ClN₃O₃	Molecular Weight:	179.561740 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: VPQVBGBFWZOIEL-UHFFFAOYSA-O

• 6,7-Dihydro-6-mercapto-5H-pyrazolo[1,2-a][1,2,4]triazolium chloride

IUPAC Name: 6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-thiol;chloride | CAS Registry Number: 153851-71-9
Synonyms: 6,7-Dihydro-6-mercapto-5h-pyrazolo[1,2-a][1,2,4]triazol-4-ium chloride, 5H-Pyrazolo[1,2-a][1,2,4]triazol-4-ium, 6,7-dihydro-6-mercapto-, chloride, Side chain for biapenem, MolPort-003-986-473, ANW-73895, SBB066376, AKOS006284722, AC-2026, RP17817, AK-47895, L840, TL8001153, M-2663, I09-0251, 6,7-dihydro-6-mercapto-5H-pyrazolo[1,2-a][1,2,4]triazolium chloride; 6,7-dihydro-6-mercapto-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium,c hloride

Molecular Formula:	C₅H₈ClN₃S	Molecular Weight:	177.655120 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: HPBXUFOSZBCEIQ-UHFFFAOYSA-N