RichardZhu52/TestFiles2 · Datasets at Hugging Face

DrugBank ID stringlengths 7 7	Accession Numbers stringlengths 7 102 ⌀	Common name stringlengths 3 226	CAS stringlengths 7 12 ⌀	UNII stringlengths 10 10 ⌀	Synonyms stringlengths 2 1.48k ⌀	Standard InChI Key stringlengths 27 27 ⌀
DB02109	EXPT01711	Hadacidin	689-13-4	BFO5P1010A	Hadacidine \| N-formyl hydroxyaminoacetic acid \| N-formyl-N- hydroxyaminoacetic acid \| N-hydroxyformamidoacetic acid	URJHVPKUWOUENU-UHFFFAOYSA-N
DB02110	EXPT00984	Protoporphyrin Ix Containing Co	null	null	null	LUAOCUVKTZELFQ-RGGAHWMASA-N
DB02111	EXPT01545	3-hydroxyisoxazole-4-carboxylic acid	null	null	null	JLPHBZYAQYOJND-UHFFFAOYSA-N
DB02112	EXPT00320	Zk-806450	null	null	null	DZLGSWPXZYDHBD-UHFFFAOYSA-N
DB02113	EXPT00287	6-Methylpurine	2004-03-7	SEO6WX0OZG	null	SYMHUEFSSMBHJA-UHFFFAOYSA-N
DB02114	EXPT01936	Cumidine	99-88-7	0D54T7V7XL	4-(1-methylethyl)aniline \| 4-Amino-1-isopropylbenzene \| 4-Aminocumene \| 4-Isopropylaniline \| p-Cumidine \| p-Isopropylaniline \| para-isopropylaniline	LRTFPLFDLJYEKT-UHFFFAOYSA-N
DB02115	EXPT01311	Daidzin	552-66-9	4R2X91A5M5	7-(beta-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-4H-chromen-4-one \| Daidzein 7-glucoside \| daidzein 7-O-beta-D-glucoside \| Daidzein 7-O-glucoside \| daidzein 7-O-β-D-glucoside \| Daidzoside	KYQZWONCHDNPDP-QNDFHXLGSA-N
DB02116	EXPT02433	Olomoucine	101622-51-9	6A839B2HYS	null	GTVPOLSIJWJJNY-UHFFFAOYSA-N
DB02118	EXPT00996	CP-271485	35580-46-2	null	(6S)-4-Benzyl-6-(1-methyl-2,2-dioxido-1,3-dihydro-2,1-benzothiazol-5-yl)-3-morpholinone	CIUMOGWIMXNXSQ-GOSISDBHSA-N
DB02119	EXPT01746	6-Hydroxymethyl-7,8-Dihydropterin	3672-03-5	B46L5LR2XM	null	CQQNNQTXUGLUEV-UHFFFAOYSA-N
DB02120	EXPT00413	6-Amino-4-Hydroxymethyl-Cyclohex-4-Ene-1,2,3-Triol	38231-86-6	null	null	XPHOBMULWMGEBA-VZFHVOOUSA-N
DB02121	EXPT00722	Butyramide	541-35-5	9J6OR937VR	null	DNSISZSEWVHGLH-UHFFFAOYSA-N
DB02122	EXPT01822	4-iodo-acetamido phenylboronic acid	null	null	null	LMHXPDZPXBIIEX-UHFFFAOYSA-N
DB02123	EXPT00909	Glycochenodeoxycholic Acid	640-79-9	451ZNJ667Y	null	GHCZAUBVMUEKKP-GYPHWSFCSA-N
DB02124	EXPT01743	(2s,3s)-Trans-2,3-Dihydro-3-Hydroxyanthranilic Acid	null	null	null	XBTXTLKLSHACSS-WDSKDSINSA-N
DB02125	EXPT00435	Adamantanone	700-58-3	UI7W503L08	null	IYKFYARMMIESOX-SPJNRGJMSA-N
DB02126	EXPT00919	4-Carboxycinnamic Acid	null	null	null	HAEJSGLKJYIYTB-ZZXKWVIFSA-N
DB02127	EXPT01207	Diisopropyl methylphosphonate	1445-75-6	56V3OG5DC7	Diisopropyl methanephosphonate \| Diisopropyl methylphosphonate \| DIMP \| Methylphosphonic acid bis(1-methylethyl)ester	WOAFDHWYKSOANX-UHFFFAOYSA-N
DB02128	EXPT02467	[1-(3-hydroxy-2-oxo-1-phenethyl-propylcarbamoyl)2-phenyl-ethyl]-carbamic acid pyridin-4-ylmethyl ester	null	null	N-[(3S)-1-hydroxy-2-oxo-5-phenyl-3-pentanyl]-Nα-[(3-pyridinylmethoxy)carbonyl]-L-phenylalaninamide	QCUBCTPTNWPFBC-ZEQRLZLVSA-N
DB02129	EXPT01249	Dihydroorotic Acid	155-54-4	4LPL64ZNA5	null	UFIVEPVSAGBUSI-REOHCLBHSA-N
DB02130	EXPT03229	Vanillic acid	121-34-6	GM8Q3JM2Y8	4-Hydroxy-3-methoxybenzoic acid \| VA	WKOLLVMJNQIZCI-UHFFFAOYSA-M
DB02131	EXPT01516	N-1-methylheptylformamide	null	null	(R)-(-)-2-Octyl isocyanate	YWFHDUFNGSJLTL-SECBINFHSA-N
DB02132	EXPT03287 \| DB06424	Zenarestat	112733-06-9	180C9PJ8JT	Zenarestat	SXONDGSPUVNZLO-UHFFFAOYSA-N
DB02133	EXPT00935	Chlorophyll A	479-61-8	YF5Q9EJC8Y	null	ATNHDLDRLWWWCB-AENOIHSZSA-M
DB02134	EXPT03251	Xanthine	69-89-6	1AVZ07U9S7	null	LRFVTYWOQMYALW-UHFFFAOYSA-N
DB02135	EXPT03118	1-deoxy-1-{2,6,8-trioxo-7-[4-(phosphonooxy)butyl]-1,2,3,6,7,8-hexahydro-9H-purin-9-yl}-D-arabinitol	null	null	4-[2,6,8-trioxo-9-[(2R,3S,4R)-2,3,4,5-tetrahydroxypentyl]-3H-purin-7-yl]butyl dihydrogen phosphate	VBXZSBKAJFXURR-MRTMQBJTSA-N
DB02136	EXPT00887	Cephalosporin analog	null	null	null	PEUIVMLYMKXUBF-PULJXETJSA-N
DB02137	EXPT02517	Molybdenum cofactor	872689-63-9	EPP8L4V5E3	MoCO	HDAJUGGARUFROU-JSUDGWJLSA-J
DB02138	EXPT01324	Diethyl 4-Methylbenzylphosphonate	3762-25-2	KR7824QXJ2	null	QKGBKPZAXXBLJE-UHFFFAOYSA-N
DB02139	EXPT02738	(2e)-N-Allyl-4-{[3-(4-Bromophenyl)-5-Fluoro-1-Methyl-1h-Indazol-6-Yl]Oxy}-N-Methyl-2-Buten-1-Amine	null	null	null	YDWPQZUWZDRRSE-AATRIKPKSA-N
DB02140	EXPT00812	N1-(1-Dimethylcarbamoyl-2-Phenyl-Ethyl)-2-Oxo-N4-(2-Pyridin-2-Yl-Ethyl)-Succinamide	null	null	null	ZPFPZRVOBBMZMP-SFHVURJKSA-N
DB02141	EXPT00205	S,S'-(1,4-Phenylene-Bis(1,2-Ethanediyl))Bis-Isothiourea	null	null	null	FZWGDUUJDZCYJR-UHFFFAOYSA-N
DB02142	EXPT02621	Pyridoxamine-5'-Phosphate	529-96-4	Q05R77UO7P	Pyridoxamine phosphate	ZMJGSOSNSPKHNH-UHFFFAOYSA-N
DB02143	EXPT01853	1-hydroxy-2-isopropylguanidine	478806-77-8	null	1-hydroxy-2-propan-2-ylguanidine \| N-isopropyl-N'-hydroxyguanidine	OITVEDMMUMUWTL-UHFFFAOYSA-N
DB02144	EXPT02597	1,2-diacyl-sn-glycero-3-phosphoinositol	null	null	null	PDLAMJKMOKWLAJ-OJERQSHOSA-M
DB02145	EXPT00068	Butyl alcohol	71-36-3	8PJ61P6TS3	1-butanol \| Butan-1-ol \| Butanol \| N-butanol \| N-butyl alcohol	LRHPLDYGYMQRHN-UHFFFAOYSA-N
DB02146	EXPT00579	Glutathione S-atrazine	24429-05-8	null	Atrazine glutathione conjugate	WDLCRTLULMGVMR-QWRGUYRKSA-N
DB02147	EXPT03213	Cyclo-Tetrametavanadate	null	null	null	ACTPEXQBEHJTBO-UHFFFAOYSA-N
DB02148	EXPT02881	3-Amino-4-Oxybenzyl-2-Butanone	null	null	null	ISLRAQPEXPIKDJ-NSHDSACASA-N
DB02151	EXPT02221	Methionine Phosphonate	null	null	null	XKCSXHUCPYVQIW-SCSAIBSYSA-N
DB02152	EXPT01983	K-252a	97161-97-2	IV7H45AM5B	null	KOZFSFOOLUUIGY-SOLYNIJKSA-N
DB02153	EXPT01040 \| EXPT01032 \| DB01769	3-sulfino-L-alanine	1115-65-7	56X032NVQL	(2R)-2-amino-3-sulfinopropanoic acid \| 3-sulfinoalanine \| 3-Sulphino-L-alanine \| L-Cysteinesulfinic acid \| S-Cysteinesulfinic acid \| S-Sulfinocysteine	ADVPTQAUNPRNPO-REOHCLBHSA-N
DB02154	EXPT00654	2,3-Bis-Benzo[1,3]Dioxol-5-Ylmethyl-Succinic Acid	null	null	null	FFYBYVPVYLMLAR-KBPBESRZSA-N
DB02155	EXPT00615	3-[(3-sec-butyl-4-hydroxybenzoyl)amino]azepan-4-yl 4-(2-hydroxy-5-methoxybenzoyl)benzoate	null	null	Balanol analog 8	XVLMXAUKCDSMMW-YXLARRHKSA-N
DB02156	EXPT02950	Sulfopyruvate	98022-26-5	8D5GA7PEG6	null	BUTHMSUEBYPMKJ-UHFFFAOYSA-N
DB02158	EXPT02247	(2S,3S,4R,5S)-2-(4-Amino-4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-[(methylsulfanyl)methyl]-3,4-pyrrolidinediol	null	null	null	YLCQGEBEQIBOOJ-BOFBLULFSA-N
DB02159	EXPT02574	(R)-Propylene glycol	4254-14-2	602HN5L69H	R-1,2-propanediol	DNIAPMSPPWPWGF-GSVOUGTGSA-N
DB02160	EXPT01074	S-Butyryl-Cystein	null	null	null	QARMATOLSBVIJD-YFKPBYRVSA-N
DB02161	EXPT01792	Hydroxy-Phenyl-Acetic Acid 8-Methyl-8-Aza-Bicyclo[3.2.1]Oct-3-Yl Ester	null	null	null	ZTVIKZXZYLEVOL-LXTVHRRPSA-N
DB02162	EXPT00240	5'-O-(N-Ethyl-Sulfamoyl)Adenosine	null	null	null	ONCSLXAPOGUODU-WOUKDFQISA-N
DB02163	EXPT03265	2,5-Xylidine	95-78-3	XWK0W8DA04	null	VOWZNBNDMFLQGM-UHFFFAOYSA-N
DB02164	EXPT01464	N-sulfo-flavin mononucleotide	null	null	null	ZLPUGFBBLGQWBS-SCRDCRAPSA-N
DB02165	EXPT03289	Zinc trihydroxide	null	null	null	JKKHGFKPEJPPQG-UHFFFAOYSA-N
DB02166	EXPT02661	Propidium	36015-30-2	74NX23J96Y	null	ZDWVWKDAWBGPDN-UHFFFAOYSA-O
DB02167	EXPT02000	N,N-Dimethyl-L-Alanine	null	null	null	QCYOIFVBYZNUNW-BYPYZUCNSA-N
DB02168	EXPT00741	6-bromopurine	767-69-1	null	6-bromo-1H-purine	CTGFGRDVWBZYNB-UHFFFAOYSA-N
DB02169	EXPT02429	9,10-Deepithio-9,10-Didehydroacanthifolicin	78111-17-8	1W21G5Q4N2	null	QNDVLZJODHBUFM-WFXQOWMNSA-N
DB02170	EXPT02205	1,8-Di-Hydroxy-4-Nitro-Xanthen-9-One	null	null	null	ZOHCDJRFYXKEQW-UHFFFAOYSA-N
DB02172	EXPT01205	2,5-Dideoxy-2,5-Imino-D-Glucitol	null	null	null	PFYHYHZGDNWFIF-BXKVDMCESA-N
DB02173	EXPT01165	Co(III)-(Deuteroporphyrin IX)	null	null	null	KHTDHHCCHPGKMR-RWRCOHKGSA-L
DB02174	EXPT01181	D-Glutamine	5959-95-5	63HB36CA2Y	(2R)-2-amino-4-carbamoylbutanoic acid \| (2R)-2,5-diamino-5-oxopentanoic acid \| (R)-2,5-diamino-5-oxopentanoic acid \| D-2-Aminoglutaramic acid \| D-Glutamin \| D-Glutaminsäure-5-amid	ZDXPYRJPNDTMRX-GSVOUGTGSA-N
DB02175	EXPT02179	Malonic acid	141-82-2	9KX7ZMG0MK	Propanedioic acid	OFOBLEOULBTSOW-UHFFFAOYSA-N
DB02176	EXPT02104	Mercury Acetate Ion	null	null	null	QWSOAYZXYZDDPB-UHFFFAOYSA-M
DB02177	EXPT01986	1-Acetyl-4-(4-{4-[(2-Ethoxyphenyl)Thio]-3-Nitrophenyl}Pyridin-2-Yl)Piperazine	null	null	null	GKGJFUXSTSUKPB-UHFFFAOYSA-N
DB02178	EXPT01801	Phenylacetaldehyde	122-78-1	U8J5PLW9MR	null	DTUQWGWMVIHBKE-UHFFFAOYSA-N
DB02179	EXPT02421	O-Trifluoromethylphenyl Anthranilic Acid	null	null	null	ONKHJNFXJDEMNQ-UHFFFAOYSA-N
DB02180	EXPT02264	Myristoyl-Coa	3130-72-1	null	null	DUAFKXOFBZQTQE-QSGBVPJFSA-N
DB02181	EXPT01184	2'-Deoxyguanosine-5'-Triphosphate	2564-35-4	8C2O37Y44Q	null	HAAZLUGHYHWQIW-KVQBGUIXSA-N
DB02182	EXPT01721	Hybrid Between B and C Type Hemes (Protoporphyrin Ixcontaining Fe)	null	null	null	BUYPFLNIJYEQJK-RGGAHWMASA-N
DB02183	EXPT00440	Adenosine-5'-ditungstate	null	null	null	OIACDJFRUAAXOT-UHFFFAOYSA-K
DB02184	EXPT01293	D-1,4-dithiothreitol	null	null	(2S,3S)-1,4-dimercaptobutane-2,3-diol \| D-DTT \| D-threo-1,4-dimercapto-2,3-butanediol	VHJLVAABSRFDPM-QWWZWVQMSA-N
DB02185	EXPT01700	2,4-Dihydroxy-7-(Methyloxy)-2h-1,4-Benzoxazin-3(4h)-One	null	null	null	GDNZNIJPBQATCZ-SECBINFHSA-N
DB02186	EXPT02335	N-acetyl-beta-D-galactosamine 6-sulfate	157296-99-6	null	2-(acetylamino)-2-deoxy-6-O-sulfo-β-D-galactopyranose \| N-Acetyl-D-galactosamine 6-sulfate \| N-acetyl-β-D-galactosamine 6-sulfate \| β-D-GalpNAc6S	WJFVEEAIYIOATH-JAJWTYFOSA-N
DB02187	EXPT01355	Equilin	474-86-2	08O86EX0J4	1,3,5,7-Estratetraen-3-ol-17-one \| 7-Dehydroestrone \| Dihydroequilenin \| Equilin	WKRLQDKEXYKHJB-HFTRVMKXSA-N
DB02188	EXPT02216	N-Methylmesoporphyrin containing copper	null	null	3-[18-(2-Carboxyethyl)-7,12-diethyl-3,8,13,17,23-pentamethylporphyrin-21-id-2-yl]propanoic acid;copper(1+)	CTVHSHALRXJQNK-ZHZUXMKXSA-M
DB02189	EXPT01104	2',3'-Dideoxyadenosine triphosphate	24027-80-3	9MCI2H1EJ6	2',3'-DDATP \| 2',3'-Dideoxy-ATP \| 2',3'-dideoxyadenosine 5'-triphosphate \| 2',3'-dideoxyadenosine triphosphate \| DDATP \| Dideoxyadenosine 5'-triphosphate	OAKPWEUQDVLTCN-NKWVEPMBSA-N
DB02190	EXPT02465	(S)-oxalosuccinic acid	null	null	null	UFSCUAXLTRFIDC-REOHCLBHSA-N
DB02191	EXPT01928	(7as,12ar,12bs)-1,2,3,4,7a,12,12a,12b-Octahydroindolo[2,3-a]Quinolizin-7(6h)-One	null	null	null	PGKUSHWBQJPFOP-LBPRGKRZSA-N
DB02192	EXPT02549	Phenylethyl alcohol	60-12-8	ML9LGA7468	2-phenylethanol \| Benzeneethanol \| Phenethyl alcohol \| Phenylethanol \| Phenylethyl alcohol	WRMNZCZEMHIOCP-UHFFFAOYSA-N
DB02194	EXPT01057	8-Benzyl-2-Hydroxy-2-(4-Hydroxy-Benzyl)-6-(4-Hydroxy-Phenyl)-2h-Imidazo[1,2-a]Pyrazin-3-One	null	null	null	ULLMMKZQNNBLRN-SANMLTNESA-N
DB02195	EXPT01476	3-(4-Fluorophenyl)-1-Hydroxy-2-(Pyridin-4-Yl)-1h-Pyrrolo[3,2-B]Pyridine	null	null	null	ZSMYZLKEZDYVPI-UHFFFAOYSA-N
DB02196	EXPT03169	Uridine-Diphosphate-N-Acetylgalactosamine	null	null	null	LFTYTUAZOPRMMI-NESSUJCYSA-N
DB02197	EXPT01717	4-[(4-Imidazo[1,2-a]Pyridin-3-Ylpyrimidin-2-Yl)Amino]Benzenesulfonamide	null	K0O97QF441	null	NKORVPQBJCGYEC-UHFFFAOYSA-N
DB02198	EXPT00753	2-Bromoacetyl Group	79-08-3	2B3HS32431	null	KDPAWGWELVVRCH-UHFFFAOYSA-N
DB02199	EXPT01729	1,3-Dedimethyl-1,3-Divinyl Heme	null	null	null	QAAYYMOFLAXZMF-ZSQORRHCSA-N
DB02200	EXPT03232	3-[N-[benzyloxycarbonyl]-phenylalaninyl-amino]-5-phenyl-pentane-1-sulfonylmethylbenzene	null	null	null	VXIINIMESJGNGI-LQJZCPKCSA-N
DB02201	EXPT02183	Malonate Ion	null	4N2NU7R76L	null	OFOBLEOULBTSOW-UHFFFAOYSA-L
DB02202	EXPT00772	(S)-butane-1,3-diol	24621-61-2	null	(S)-(+)-Butane-1,3-diol	PUPZLCDOIYMWBV-BYPYZUCNSA-N
DB02203	EXPT00968	Acetone Cyanohydrin	75-86-5	CO1YOV1KFI	null	MWFMGBPGAXYFAR-UHFFFAOYSA-N
DB02205	EXPT00760	(+)-Rutamarin alcohol	14755-47-6	V0632559OD	(+)-Chalepin	JCDLLLXYAICSQV-INIZCTEOSA-N
DB02207	EXPT00314	7-Nitroindazole	2942-42-9	UX0N37CMVH	null	PQCAUHUKTBHUSA-UHFFFAOYSA-N
DB02209	EXPT02710	Pyridoxine phosphate	447-05-2	RG20W8WYLS	Pyridoxine 5-phosphate	WHOMFKWHIQZTHY-UHFFFAOYSA-N
DB02210	EXPT01731	Hexane-1,6-Diol	629-11-8	ZIA319275I	null	XXMIOPMDWAUFGU-UHFFFAOYSA-N
DB02211	EXPT02792	(R)-N-methyl-N-2-propynyl-1-indanamine	124192-87-6	1Y7XS87IZR	N-Methyl-N-propargyl-1(R)-aminoindan	CSVGVHNFFZWQJU-CYBMUJFWSA-N
DB02213	EXPT01541	Metanitrophenyl-Alpha-D-Galactoside	null	null	null	VCCMGHVCRFMITI-IIRVCBMXSA-N
DB02214	EXPT02766	6,7-dioxo-5H-8-ribitylaminolumazine	null	null	null	MIBROOURCUHKMD-RPDRRWSUSA-N
DB02215	EXPT01441	Furoyl-Leucine	null	null	null	LXBURZIESWDWIV-QMMMGPOBSA-N
DB02216	EXPT01076 \| EXPT02919	S-Methylcysteine	1187-84-4	A34I1H07YM	null	IDIDJDIHTAOVLG-VKHMYHEASA-N
DB02217	EXPT01255	Dpb-T	null	null	null	WTZFKHNHHRPQOU-WSMBLCCSSA-N
DB02218	EXPT00405	N-[4-hydroxymethyl-cyclohexan-6-yl-1,2,3-triol]-4,6-dideoxy-4-aminoglucopyranoside	null	null	null	RBZIIHWPZWOIDU-ZCGMLSCUSA-N

DB02109

EXPT01711

Hadacidin

689-13-4

BFO5P1010A

Hadacidine | N-formyl hydroxyaminoacetic acid | N-formyl-N- hydroxyaminoacetic acid | N-hydroxyformamidoacetic acid

URJHVPKUWOUENU-UHFFFAOYSA-N

DB02110

EXPT00984

Protoporphyrin Ix Containing Co

null

LUAOCUVKTZELFQ-RGGAHWMASA-N

DB02111

EXPT01545

3-hydroxyisoxazole-4-carboxylic acid

null

JLPHBZYAQYOJND-UHFFFAOYSA-N

DB02112

EXPT00320

Zk-806450

null

DZLGSWPXZYDHBD-UHFFFAOYSA-N

DB02113

EXPT00287

6-Methylpurine

2004-03-7

SEO6WX0OZG

null

SYMHUEFSSMBHJA-UHFFFAOYSA-N

DB02114

EXPT01936

Cumidine

99-88-7

0D54T7V7XL

LRTFPLFDLJYEKT-UHFFFAOYSA-N

DB02115

EXPT01311

Daidzin

552-66-9

4R2X91A5M5

KYQZWONCHDNPDP-QNDFHXLGSA-N

DB02116

EXPT02433

Olomoucine

101622-51-9

6A839B2HYS

null

GTVPOLSIJWJJNY-UHFFFAOYSA-N

DB02118

EXPT00996

CP-271485

35580-46-2

null

(6S)-4-Benzyl-6-(1-methyl-2,2-dioxido-1,3-dihydro-2,1-benzothiazol-5-yl)-3-morpholinone

CIUMOGWIMXNXSQ-GOSISDBHSA-N

DB02119

EXPT01746

6-Hydroxymethyl-7,8-Dihydropterin

3672-03-5

B46L5LR2XM

null

CQQNNQTXUGLUEV-UHFFFAOYSA-N

DB02120

EXPT00413

6-Amino-4-Hydroxymethyl-Cyclohex-4-Ene-1,2,3-Triol

38231-86-6

null

XPHOBMULWMGEBA-VZFHVOOUSA-N

DB02121

EXPT00722

Butyramide

541-35-5

9J6OR937VR

null

DNSISZSEWVHGLH-UHFFFAOYSA-N

DB02122

EXPT01822

4-iodo-acetamido phenylboronic acid

null

LMHXPDZPXBIIEX-UHFFFAOYSA-N

DB02123

EXPT00909

Glycochenodeoxycholic Acid

640-79-9

451ZNJ667Y

null

GHCZAUBVMUEKKP-GYPHWSFCSA-N

DB02124

EXPT01743

(2s,3s)-Trans-2,3-Dihydro-3-Hydroxyanthranilic Acid

null

XBTXTLKLSHACSS-WDSKDSINSA-N

DB02125

EXPT00435

Adamantanone

700-58-3

UI7W503L08

null

IYKFYARMMIESOX-SPJNRGJMSA-N

DB02126

EXPT00919

4-Carboxycinnamic Acid

null

HAEJSGLKJYIYTB-ZZXKWVIFSA-N

DB02127

EXPT01207

Diisopropyl methylphosphonate

1445-75-6

56V3OG5DC7

Diisopropyl methanephosphonate | Diisopropyl methylphosphonate | DIMP | Methylphosphonic acid bis(1-methylethyl)ester

WOAFDHWYKSOANX-UHFFFAOYSA-N

DB02128

EXPT02467

[1-(3-hydroxy-2-oxo-1-phenethyl-propylcarbamoyl)2-phenyl-ethyl]-carbamic acid pyridin-4-ylmethyl ester

null

N-[(3S)-1-hydroxy-2-oxo-5-phenyl-3-pentanyl]-Nα-[(3-pyridinylmethoxy)carbonyl]-L-phenylalaninamide

QCUBCTPTNWPFBC-ZEQRLZLVSA-N

DB02129

EXPT01249

Dihydroorotic Acid

155-54-4

4LPL64ZNA5

null

UFIVEPVSAGBUSI-REOHCLBHSA-N

DB02130

EXPT03229

Vanillic acid

121-34-6

GM8Q3JM2Y8

4-Hydroxy-3-methoxybenzoic acid | VA

WKOLLVMJNQIZCI-UHFFFAOYSA-M

DB02131

EXPT01516

N-1-methylheptylformamide

null

(R)-(-)-2-Octyl isocyanate

YWFHDUFNGSJLTL-SECBINFHSA-N

DB02132

EXPT03287 | DB06424

Zenarestat

112733-06-9

180C9PJ8JT

Zenarestat

SXONDGSPUVNZLO-UHFFFAOYSA-N

DB02133

EXPT00935

Chlorophyll A

479-61-8

YF5Q9EJC8Y

null

ATNHDLDRLWWWCB-AENOIHSZSA-M

DB02134

EXPT03251

Xanthine

69-89-6

1AVZ07U9S7

null

LRFVTYWOQMYALW-UHFFFAOYSA-N

DB02135

EXPT03118

1-deoxy-1-{2,6,8-trioxo-7-[4-(phosphonooxy)butyl]-1,2,3,6,7,8-hexahydro-9H-purin-9-yl}-D-arabinitol

null

4-[2,6,8-trioxo-9-[(2R,3S,4R)-2,3,4,5-tetrahydroxypentyl]-3H-purin-7-yl]butyl dihydrogen phosphate

VBXZSBKAJFXURR-MRTMQBJTSA-N

DB02136

EXPT00887

Cephalosporin analog

null

PEUIVMLYMKXUBF-PULJXETJSA-N

DB02137

EXPT02517

Molybdenum cofactor

872689-63-9

EPP8L4V5E3

MoCO

HDAJUGGARUFROU-JSUDGWJLSA-J

DB02138

EXPT01324

Diethyl 4-Methylbenzylphosphonate

3762-25-2

KR7824QXJ2

null

QKGBKPZAXXBLJE-UHFFFAOYSA-N

DB02139

EXPT02738

(2e)-N-Allyl-4-{[3-(4-Bromophenyl)-5-Fluoro-1-Methyl-1h-Indazol-6-Yl]Oxy}-N-Methyl-2-Buten-1-Amine

null

YDWPQZUWZDRRSE-AATRIKPKSA-N

DB02140

EXPT00812

N1-(1-Dimethylcarbamoyl-2-Phenyl-Ethyl)-2-Oxo-N4-(2-Pyridin-2-Yl-Ethyl)-Succinamide

null

ZPFPZRVOBBMZMP-SFHVURJKSA-N

DB02141

EXPT00205

S,S'-(1,4-Phenylene-Bis(1,2-Ethanediyl))Bis-Isothiourea

null

FZWGDUUJDZCYJR-UHFFFAOYSA-N

DB02142

EXPT02621

Pyridoxamine-5'-Phosphate

529-96-4

Q05R77UO7P

Pyridoxamine phosphate

ZMJGSOSNSPKHNH-UHFFFAOYSA-N

DB02143

EXPT01853

1-hydroxy-2-isopropylguanidine

478806-77-8

null

1-hydroxy-2-propan-2-ylguanidine | N-isopropyl-N'-hydroxyguanidine

OITVEDMMUMUWTL-UHFFFAOYSA-N

DB02144

EXPT02597

1,2-diacyl-sn-glycero-3-phosphoinositol

null

PDLAMJKMOKWLAJ-OJERQSHOSA-M

DB02145

EXPT00068

Butyl alcohol

71-36-3

8PJ61P6TS3

1-butanol | Butan-1-ol | Butanol | N-butanol | N-butyl alcohol

LRHPLDYGYMQRHN-UHFFFAOYSA-N

DB02146

EXPT00579

Glutathione S-atrazine

24429-05-8

null

Atrazine glutathione conjugate

WDLCRTLULMGVMR-QWRGUYRKSA-N

DB02147

EXPT03213

Cyclo-Tetrametavanadate

null

ACTPEXQBEHJTBO-UHFFFAOYSA-N

DB02148

EXPT02881

3-Amino-4-Oxybenzyl-2-Butanone

null

ISLRAQPEXPIKDJ-NSHDSACASA-N

DB02151

EXPT02221

Methionine Phosphonate

null

XKCSXHUCPYVQIW-SCSAIBSYSA-N

DB02152

EXPT01983

K-252a

97161-97-2

IV7H45AM5B

null

KOZFSFOOLUUIGY-SOLYNIJKSA-N

DB02153

EXPT01040 | EXPT01032 | DB01769

3-sulfino-L-alanine

1115-65-7

56X032NVQL

ADVPTQAUNPRNPO-REOHCLBHSA-N

DB02154

EXPT00654

2,3-Bis-Benzo[1,3]Dioxol-5-Ylmethyl-Succinic Acid

null

FFYBYVPVYLMLAR-KBPBESRZSA-N

DB02155

EXPT00615

3-[(3-sec-butyl-4-hydroxybenzoyl)amino]azepan-4-yl 4-(2-hydroxy-5-methoxybenzoyl)benzoate

null

Balanol analog 8

XVLMXAUKCDSMMW-YXLARRHKSA-N

DB02156

EXPT02950

Sulfopyruvate

98022-26-5

8D5GA7PEG6

null

BUTHMSUEBYPMKJ-UHFFFAOYSA-N

DB02158

EXPT02247

(2S,3S,4R,5S)-2-(4-Amino-4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-[(methylsulfanyl)methyl]-3,4-pyrrolidinediol

null

YLCQGEBEQIBOOJ-BOFBLULFSA-N

DB02159

EXPT02574

(R)-Propylene glycol

4254-14-2

602HN5L69H

R-1,2-propanediol

DNIAPMSPPWPWGF-GSVOUGTGSA-N

DB02160

EXPT01074

S-Butyryl-Cystein

null

QARMATOLSBVIJD-YFKPBYRVSA-N

DB02161

EXPT01792

Hydroxy-Phenyl-Acetic Acid 8-Methyl-8-Aza-Bicyclo[3.2.1]Oct-3-Yl Ester

null

ZTVIKZXZYLEVOL-LXTVHRRPSA-N

DB02162

EXPT00240

5'-O-(N-Ethyl-Sulfamoyl)Adenosine

null

ONCSLXAPOGUODU-WOUKDFQISA-N

DB02163

EXPT03265

2,5-Xylidine

95-78-3

XWK0W8DA04

null

VOWZNBNDMFLQGM-UHFFFAOYSA-N

DB02164

EXPT01464

N-sulfo-flavin mononucleotide

null

ZLPUGFBBLGQWBS-SCRDCRAPSA-N

DB02165

EXPT03289

Zinc trihydroxide

null

JKKHGFKPEJPPQG-UHFFFAOYSA-N

DB02166

EXPT02661

Propidium

36015-30-2

74NX23J96Y

null

ZDWVWKDAWBGPDN-UHFFFAOYSA-O

DB02167

EXPT02000

N,N-Dimethyl-L-Alanine

null

QCYOIFVBYZNUNW-BYPYZUCNSA-N

DB02168

EXPT00741

6-bromopurine

767-69-1

null

6-bromo-1H-purine

CTGFGRDVWBZYNB-UHFFFAOYSA-N

DB02169

EXPT02429

9,10-Deepithio-9,10-Didehydroacanthifolicin

78111-17-8

1W21G5Q4N2

null

QNDVLZJODHBUFM-WFXQOWMNSA-N

DB02170

EXPT02205

1,8-Di-Hydroxy-4-Nitro-Xanthen-9-One

null

ZOHCDJRFYXKEQW-UHFFFAOYSA-N

DB02172

EXPT01205

2,5-Dideoxy-2,5-Imino-D-Glucitol

null

PFYHYHZGDNWFIF-BXKVDMCESA-N

DB02173

EXPT01165

Co(III)-(Deuteroporphyrin IX)

null

KHTDHHCCHPGKMR-RWRCOHKGSA-L

DB02174

EXPT01181

D-Glutamine

5959-95-5

63HB36CA2Y

ZDXPYRJPNDTMRX-GSVOUGTGSA-N

DB02175

EXPT02179

Malonic acid

141-82-2

9KX7ZMG0MK

Propanedioic acid

OFOBLEOULBTSOW-UHFFFAOYSA-N

DB02176

EXPT02104

Mercury Acetate Ion

null

QWSOAYZXYZDDPB-UHFFFAOYSA-M

DB02177

EXPT01986

1-Acetyl-4-(4-{4-[(2-Ethoxyphenyl)Thio]-3-Nitrophenyl}Pyridin-2-Yl)Piperazine

null

GKGJFUXSTSUKPB-UHFFFAOYSA-N

DB02178

EXPT01801

Phenylacetaldehyde

122-78-1

U8J5PLW9MR

null

DTUQWGWMVIHBKE-UHFFFAOYSA-N

DB02179

EXPT02421

O-Trifluoromethylphenyl Anthranilic Acid

null

ONKHJNFXJDEMNQ-UHFFFAOYSA-N

DB02180

EXPT02264

Myristoyl-Coa

3130-72-1

null

DUAFKXOFBZQTQE-QSGBVPJFSA-N

DB02181

EXPT01184

2'-Deoxyguanosine-5'-Triphosphate

2564-35-4

8C2O37Y44Q

null

HAAZLUGHYHWQIW-KVQBGUIXSA-N

DB02182

EXPT01721

Hybrid Between B and C Type Hemes (Protoporphyrin Ixcontaining Fe)

null

BUYPFLNIJYEQJK-RGGAHWMASA-N

DB02183

EXPT00440

Adenosine-5'-ditungstate

null

OIACDJFRUAAXOT-UHFFFAOYSA-K

DB02184

EXPT01293

D-1,4-dithiothreitol

null

(2S,3S)-1,4-dimercaptobutane-2,3-diol | D-DTT | D-threo-1,4-dimercapto-2,3-butanediol

VHJLVAABSRFDPM-QWWZWVQMSA-N

DB02185

EXPT01700

2,4-Dihydroxy-7-(Methyloxy)-2h-1,4-Benzoxazin-3(4h)-One

null

GDNZNIJPBQATCZ-SECBINFHSA-N

DB02186

EXPT02335

N-acetyl-beta-D-galactosamine 6-sulfate

157296-99-6

null

2-(acetylamino)-2-deoxy-6-O-sulfo-β-D-galactopyranose | N-Acetyl-D-galactosamine 6-sulfate | N-acetyl-β-D-galactosamine 6-sulfate | β-D-GalpNAc6S

WJFVEEAIYIOATH-JAJWTYFOSA-N

DB02187

EXPT01355

Equilin

474-86-2

08O86EX0J4

1,3,5,7-Estratetraen-3-ol-17-one | 7-Dehydroestrone | Dihydroequilenin | Equilin

WKRLQDKEXYKHJB-HFTRVMKXSA-N

DB02188

EXPT02216

N-Methylmesoporphyrin containing copper

null

3-[18-(2-Carboxyethyl)-7,12-diethyl-3,8,13,17,23-pentamethylporphyrin-21-id-2-yl]propanoic acid;copper(1+)

CTVHSHALRXJQNK-ZHZUXMKXSA-M

DB02189

EXPT01104

2',3'-Dideoxyadenosine triphosphate

24027-80-3

9MCI2H1EJ6

OAKPWEUQDVLTCN-NKWVEPMBSA-N

DB02190

EXPT02465

(S)-oxalosuccinic acid

null

UFSCUAXLTRFIDC-REOHCLBHSA-N

DB02191

EXPT01928

(7as,12ar,12bs)-1,2,3,4,7a,12,12a,12b-Octahydroindolo[2,3-a]Quinolizin-7(6h)-One

null

PGKUSHWBQJPFOP-LBPRGKRZSA-N

DB02192

EXPT02549

Phenylethyl alcohol

60-12-8

ML9LGA7468

2-phenylethanol | Benzeneethanol | Phenethyl alcohol | Phenylethanol | Phenylethyl alcohol

WRMNZCZEMHIOCP-UHFFFAOYSA-N

DB02194

EXPT01057

8-Benzyl-2-Hydroxy-2-(4-Hydroxy-Benzyl)-6-(4-Hydroxy-Phenyl)-2h-Imidazo[1,2-a]Pyrazin-3-One

null

ULLMMKZQNNBLRN-SANMLTNESA-N

DB02195

EXPT01476

3-(4-Fluorophenyl)-1-Hydroxy-2-(Pyridin-4-Yl)-1h-Pyrrolo[3,2-B]Pyridine

null

ZSMYZLKEZDYVPI-UHFFFAOYSA-N

DB02196

EXPT03169

Uridine-Diphosphate-N-Acetylgalactosamine

null

LFTYTUAZOPRMMI-NESSUJCYSA-N

DB02197

EXPT01717

4-[(4-Imidazo[1,2-a]Pyridin-3-Ylpyrimidin-2-Yl)Amino]Benzenesulfonamide

null

K0O97QF441

null

NKORVPQBJCGYEC-UHFFFAOYSA-N

DB02198

EXPT00753

2-Bromoacetyl Group

79-08-3

2B3HS32431

null

KDPAWGWELVVRCH-UHFFFAOYSA-N

DB02199

EXPT01729

1,3-Dedimethyl-1,3-Divinyl Heme

null

QAAYYMOFLAXZMF-ZSQORRHCSA-N

DB02200

EXPT03232

3-[N-[benzyloxycarbonyl]-phenylalaninyl-amino]-5-phenyl-pentane-1-sulfonylmethylbenzene

null

VXIINIMESJGNGI-LQJZCPKCSA-N

DB02201

EXPT02183

Malonate Ion

null

4N2NU7R76L

null

OFOBLEOULBTSOW-UHFFFAOYSA-L

DB02202

EXPT00772

(S)-butane-1,3-diol

24621-61-2

null

(S)-(+)-Butane-1,3-diol

PUPZLCDOIYMWBV-BYPYZUCNSA-N

DB02203

EXPT00968

Acetone Cyanohydrin

75-86-5

CO1YOV1KFI

null

MWFMGBPGAXYFAR-UHFFFAOYSA-N

DB02205

EXPT00760

(+)-Rutamarin alcohol

14755-47-6

V0632559OD

(+)-Chalepin

JCDLLLXYAICSQV-INIZCTEOSA-N

DB02207

EXPT00314

7-Nitroindazole

2942-42-9

UX0N37CMVH

null

PQCAUHUKTBHUSA-UHFFFAOYSA-N

DB02209

EXPT02710

Pyridoxine phosphate

447-05-2

RG20W8WYLS

Pyridoxine 5-phosphate

WHOMFKWHIQZTHY-UHFFFAOYSA-N

DB02210

EXPT01731

Hexane-1,6-Diol

629-11-8

ZIA319275I

null

XXMIOPMDWAUFGU-UHFFFAOYSA-N

DB02211

EXPT02792

(R)-N-methyl-N-2-propynyl-1-indanamine

124192-87-6

1Y7XS87IZR

N-Methyl-N-propargyl-1(R)-aminoindan

CSVGVHNFFZWQJU-CYBMUJFWSA-N

DB02213

EXPT01541

Metanitrophenyl-Alpha-D-Galactoside

null

VCCMGHVCRFMITI-IIRVCBMXSA-N

DB02214

EXPT02766

6,7-dioxo-5H-8-ribitylaminolumazine

null

MIBROOURCUHKMD-RPDRRWSUSA-N

DB02215

EXPT01441

Furoyl-Leucine

null

LXBURZIESWDWIV-QMMMGPOBSA-N

DB02216

EXPT01076 | EXPT02919

S-Methylcysteine

1187-84-4

A34I1H07YM

null

IDIDJDIHTAOVLG-VKHMYHEASA-N

DB02217

EXPT01255

Dpb-T

null

WTZFKHNHHRPQOU-WSMBLCCSSA-N

DB02218

EXPT00405

N-[4-hydroxymethyl-cyclohexan-6-yl-1,2,3-triol]-4,6-dideoxy-4-aminoglucopyranoside

null

RBZIIHWPZWOIDU-ZCGMLSCUSA-N