Components-smiles-stereo-oe.smi

Components-smiles-stereo-oe.smi

COC(=O)O	000	methyl hydrogen carbonate
COc1cc(cc(c1OC)OC)C(C(=O)N2CCCC[C@H]2C(=O)O[C@@H](CCCc3ccccc3)CCCc4cccnc4)(F)F	001	1-[2,2-difluoro-2-(3,4,5-trimethoxy-phenyl)-acetyl]-piperidine-2-carboxylic acid 4-phenyl-1-(3-pyridin-3-yl-propyl)-butyl ester
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](Cc1ccccc1)CC(=O)NO	002	n-[(2r)-2-benzyl-4-(hydroxyamino)-4-oxobutanoyl]-l-isoleucyl-l-leucine
CC(C)CN1c2c(c(n(n2)Cc3cccc4c3cccc4)c5ccncc5)C(=O)N(C1=O)C	003	5-methyl-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)-3-pyridin-4-yl-2h-pyrazolo[3,4-d]pyrimidine-4,6(5h,7h)-dione
c1ccc(cc1)[C@@H](C(=O)O)N	004	(2s)-amino(phenyl)ethanoic acid
c1ccc(cc1)C[C@@H]([C@@H](C(=O)O)O)N	005	(2s,3s)-3-amino-2-hydroxy-4-phenylbutanoic acid
Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C(=O)N3CSC([C@H]3C(=O)N[C@H]4c5ccccc5C[C@H]4O)(C)C)O)C	006	(4r)-3-[(2s,3s)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
c1ccc(cc1)C2(CCCC2)CN	007	1-methylamine-1-benzyl-cyclopentane
c1ccc2c(c1)C[C@H](N(C2)C(=O)C[C@@H](Cc3ccccc3F)N)C(=O)N	008	(s)-2-[(r)-3-amino-4-(2-fluoro-phenyl)-butyryl]-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid amide
CN(C)c1cccc(c1)CNC[C@H]([C@H](Cc2ccccc2)NC(=O)[C@@]3(CN(C(=O)N3)Cc4ccccc4)Cc5ccccc5)O	009	(4s)-1,4-dibenzyl-n-[(1s,2r)-1-benzyl-3-{[3-(dimethylamino)benzyl]amino}-2-hydroxypropyl]-2-oxoimidazolidine-4-carboxamide
c1cc(ccc1C(=O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)Cl	00A	5'-o-[(s)-{[(4-chlorophenyl)carbonyl]oxy}(hydroxy)phosphoryl]adenosine
CC1([C@H](NCS1)C(=O)O)C	00B	(4r)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
C([C@H](C(=O)O)N)S(=O)(=O)O	00C	3-sulfo-d-alanine
C[C@H](C(C)(C)C)N	00D	(2r)-3,3-dimethylbutan-2-amine
C1COCCN1CC(=O)O	00E	morpholin-4-ylacetic acid
C[C@H](C[P@](=O)([C@H](Cc1ccccc1)N)O)C(=O)O	00F	(2s)-3-[(r)-[(1r)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-methylpropanoic acid
c1ccn(c1)CCOc2ccc3c(c2)cc[nH]3	00G	5-[2-(1h-pyrrol-1-yl)ethoxy]-1h-indole
c1ccc(cc1)C[C@H](N)[P@@](=O)(CCC(=O)O)O	00H	3-[(r)-[(1r)-1-amino-2-phenylethyl](hydroxy)phosphoryl]propanoic acid
[H]/N=C(\c1ccc(cc1)C[C@H](C(=O)N2CCCCC2)NC(=O)[C@H](CCC(=O)O)NS(=O)(=O)c3ccc4ccccc4c3)/N	00I	n-[(1r)-1-(4-carbamimidoylbenzyl)-2-oxo-2-piperidin-1-ylethyl]-n~2~-(naphthalen-2-ylsulfonyl)-l-alpha-glutamine
Cc1c(c2ccc(cc2o1)Oc3ccnc4c3ccc(c4)OCCN5CCOCC5)C(=O)NC	00J	n,2-dimethyl-6-{[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxy}-1-benzofuran-3-carboxamide
c1ccc(cc1)C[C@@]2(CC[N@@]3CC[C@H](N3C2=O)C(=O)N[C@@H](CCCCN)[C@@H](C(=O)NC4CCCCC4)O)N	00K	(1s,7s)-7-amino-n-[(2r,3s)-7-amino-1-(cyclohexylamino)-2-hydroxy-1-oxoheptan-3-yl]-7-benzyl-8-oxohexahydro-1h-pyrazolo[1,2-a]pyridazine-1-carboxamide
[H]/N=C(\N)/NCCC[C@@H]([C@@H](C(=O)NCCc1ccccc1)O)NC(=O)[C@@H]2CCN3N2C(=O)[C@@](CC3)(Cc4ccccc4)N	00L	(1s,7s)-7-amino-7-benzyl-n-[(1s)-4-carbamimidamido-1-{(1s)-1-hydroxy-2-oxo-2-[(2-phenylethyl)amino]ethyl}butyl]-8-oxohexahydro-1h-pyrazolo[1,2-a]pyridazine-1-carboxamide
c1ccc(cc1)C[C@@H]([C@H](C(=O)O)O)N	00M	(2r,3s)-3-amino-2-hydroxy-4-phenylbutanoic acid
c1ccc(cc1)C[C@@]2(CC[N@@]3CC[C@H](N3C2=O)C(=O)N[C@@H](CCCNC(=N)N)[C@@H](c4nccs4)O)N	00N	(1s,7s)-7-amino-7-benzyl-n-{(1s)-4-carbamimidamido-1-[(s)-hydroxy(1,3-thiazol-2-yl)methyl]butyl}-8-oxohexahydro-1h-pyra zolo[1,2-a]pyridazine-1-carboxamide
c1ccc(cc1)C(c2ccccc2)[C@H](C(=O)O)N	00O	beta-phenyl-d-phenylalanine
c1ccc(cc1)S(=O)(=O)CCN2C(=O)N3CC=C[C@H](N3C2=O)C(=O)NCC4CCC(CC4)N	00P	(5s)-n-[(trans-4-aminocyclohexyl)methyl]-1,3-dioxo-2-[2-(phenylsulfonyl)ethyl]-2,3,5,8-tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide
[H]/N=C(\N)/NCCC[C@@H]([C@@H](c1nc2ccccc2s1)O)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](Cc4ccccc4)N	00Q	d-phenylalanyl-n-{(1s)-1-[(s)-1,3-benzothiazol-2-yl(hydroxy)methyl]-4-carbamimidamidobutyl}-l-prolinamide
c1ccc(cc1)S(=O)(=O)CCN2C(=O)N3CC=C[C@H](N3C2=O)C(=O)NC4CCC(CC4)c5cnc([nH]5)N	00R	(5s)-n-[trans-4-(2-amino-1h-imidazol-5-yl)cyclohexyl]-1,3-dioxo-2-[2-(phenylsulfonyl)ethyl]-2,3,5,8-tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide
[H]/N=C(/c1ccc(cc1)CN)\N	00S	4-(aminomethyl)benzenecarboximidamide
c1cc(c(cc1Cl)CN)CN	00T	(4-chlorobenzene-1,2-diyl)dimethanamine
c1ccc(cc1)C[C@@]2(CC[N@@]3CC[C@H](N3C2=O)C(=O)O)N	00U	(1s,7s)-7-amino-7-benzyl-8-oxohexahydro-1h-pyrazolo[1,2-a]pyridazine-1-carboxylic acid
C(CCN)C[C@@H]([C@@H](C(=O)O)O)N	00V	(2s,3s)-3,7-diamino-2-hydroxyheptanoic acid
[H]/N=C(\N)/NCCC[C@@H]([C@@H](C(=O)O)O)N	00W	3-amino-6-carbamimidamido-3,4,5,6-tetradeoxy-l-erythro-hexonic acid
c1ccc2c(c1)C[C@H]([C@H]2N)O	00X	(1s,2r)-1-amino-2,3-dihydro-1h-inden-2-ol
c1csc(n1)[C@H]([C@H](CCCNC(=N)N)N)O	00Y	1-[(4s,5s)-4-amino-5-hydroxy-5-(1,3-thiazol-2-yl)pentyl]guanidine
c1ccc(cc1)CO	010	phenylmethanol
C(CCCN)CCC(=O)O	011	7-aminoheptanoic acid
CN(C)c1cccc(c1)CNC[C@H]([C@H](Cc2ccccc2)NC(=O)[C@@H]3CN(C(=O)N3)Cc4cccc(c4)OC)O	012	(4s)-n-[(1s,2r)-1-benzyl-3-{[3-(dimethylamino)benzyl]amino}-2-hydroxypropyl]-1-(3-methoxybenzyl)-2-oxoimidazolidine-4-carboxamide
c1c(scn1)COC(=O)O	013	1,3-thiazol-5-ylmethyl hydrogen carbonate
c1c2c(cc(c1F)Cl)nc([nH]2)n3cc(cn3)C(=O)O	014	1-(5-chloro-6-fluoro-1h-benzimidazol-2-yl)-1h-pyrazole-4-carboxylic acid
c1ccc(cc1)C[C@@H](C[C@@H]([C@H](Cc2ccccc2)N)O)N	015	(2s,3s,5s)-2,5-diamino-1,6-diphenylhexan-3-ol
Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C(=O)N3CSC([C@H]3C(=O)N[C@H]4c5ccccc5C[C@H]4O)(C)C)O)C	016	(4r)-3-[(2r,3s)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h- inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N	017	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl(1s,2r)-3-[[(4-aminophenyl)sulfonyl](isobutyl)amino]-1-benzyl-2-hydroxypropylcarbamate
c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])NCc2ccsc2	018	2-nitro-n-(thiophen-3-ylmethyl)-4-(trifluoromethyl)aniline
CC(C)c1nc(cs1)CN(C)C(=O)O	019	methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamic acid
CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4)Cl)O	01A	4-chlorophenacyl-coenzyme a
c1ccc(cc1)C[C@H]([C@@H](C(=O)O)O)N	01B	(2s,3r)-3-amino-2-hydroxy-4-phenylbutanoic acid
c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)C(C(F)(F)F)(F)F)N	01C	(4s)-4-amino-1,1,1,2,2-pentafluoro-5-(1h-indol-3-yl)pentan-3-one
C[C@@H]([C@@H](C(=O)NCc1ccc(cc1)I)O)NC(=O)[C@H](CC(=O)n2cccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)CC(C)(C)C	01E	(2s)-2-(3,3-dimethylbutanoylamino)-n-[(2s)-1-[[(2s,3s)-3-hydroxy-4-[(4-iodophenyl)methylamino]-4-oxo-butan-2-yl]amino]- 1,4-dioxo-4-pyrrol-1-yl-butan-2-yl]-3,3-dimethyl-butanamide
CCOC(=O)O	01F	ethyl hydrogen carbonate
C1COCCN1c2nc3c(n2[C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC3=O)N	01G	8-morpholin-4-ylguanosine 5'-(tetrahydrogen triphosphate)
C(CCNN)CN	01H	4-hydrazinylbutan-1-amine
c1cc2c(cc(o2)C(=O)O)c3c1cc4cc(oc4c3)C(=O)O	01I	naphtho[2,1-b:7,6-b']difuran-2,8-dicarboxylic acid
c1ccc(cc1)C(c2ccccc2)[C@H](C(=O)O)N[C@@H](N3CCOCC3)O	01J	n-[(s)-hydroxy(morpholin-4-yl)methyl]-beta-phenyl-d-phenylalanine
CC(=O)N[C@H](CCCCNC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)C(=O)N	01K	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3r,20r)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate
B([C@H](CCCOC)N)(O)O	01L	[(1r)-1-amino-4-methoxybutyl]boronic acid
[H]/N=C(\N)/N1CCC[C@@H](C1)C(=O)O	01M	(3s)-1-carbamimidoylpiperidine-3-carboxylic acid
C1CCC(CC1)C[C@H](C(=O)O)NCC(=O)O	01N	n-(carboxymethyl)-3-cyclohexyl-d-alanine
[H]/N=C(\c1cc(cn1C)CN)/N	01O	4-(aminomethyl)-1-methyl-1h-pyrrole-2-carboximidamide
COc1cc(ccc1N2CCOCC2)Nc3nccc(n3)Nc4cc5ccccc5nc4	01P	n~2~-[3-methoxy-4-(morpholin-4-yl)phenyl]-n~4~-(quinolin-3-yl)pyrimidine-2,4-diamine
[H]/N=C(\c1ccc(n1C)CN)/N	01Q	5-(aminomethyl)-1-methyl-1h-pyrrole-2-carboximidamide
c1cnccc1NCCN	01R	n-(pyridin-4-yl)ethane-1,2-diamine
	01S	n-[(2r)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-l-alanylglycinamide
CCc1c(c(c(c(n1)CC(C)(C)C)CN)c2ccc(cc2)C)CC(=O)O	01T	[5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-ethyl-4-(4-methylphenyl)pyridin-3-yl]acetic acid
c1cc2c(cc1N)sc(n2)N	01U	1,3-benzothiazole-2,6-diamine
c1cc(c(cc1Cl)CN)Cl	01V	1-(2,5-dichlorophenyl)methanamine
c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])NCC[C@@H](C(=O)[O-])[NH3+]	01W	(2s)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoate
c1cc(c(cc1Cl)CN)OCC(=O)O	01X	[2-(aminomethyl)-4-chlorophenoxy]acetic acid
C1CCC(C1)OCC(=O)O	01Y	(cyclopentyloxy)acetic acid
C1CCC(CC1)OCC(=O)O	01Z	(cyclohexyloxy)acetic acid
c1cc(oc1)CNc2ccc(cc2[N+](=O)[O-])C(F)(F)F	020	n-(furan-2-ylmethyl)-2-nitro-4-(trifluoromethyl)aniline
C1CCC(C1)NCC(=O)O	021	n-cyclopentylglycine
Cc1cc(ccc1n2c(ccc2c3ccc(cc3)n4ccnc4)CCC(=O)O)C(=O)N	022	3-{1-(4-carbamoyl-2-methylphenyl)-5-[4-(1h-imidazol-1-yl)phenyl]-1h-pyrrol-2-yl}propanoic acid
C[C@@H]([C@@H](CCCc1ccccc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)N(C=O)O	023	n^2^-[(2r)-2-{(1s)-1-[formyl(hydroxy)amino]ethyl}-5-phenylpentanoyl]-n,3-dimethyl-l-valinamide
c1cc(cc(c1)NC2CCCCC2)c3c(c(c(s3)C(=O)O)OCC(=O)O)Br	024	4-bromo-3-(carboxymethoxy)-5-[3-(cyclohexylamino)phenyl]thiophene-2-carboxylic acid
c1cc(cc(c1)S(=O)(=O)O)C(F)(F)F	025	3-(trifluoromethyl)benzenesulfonic acid
C1CN(CCN1)CCCN	026	3-(piperazin-1-yl)propan-1-amine
Cc1cc(n[nH]1)NC2=NN(C(=O)c3c2ccc(c3)N4CCN(CC4)C)C(C)C	027	7-(4-methylpiperazin-1-yl)-4-[(5-methyl-1h-pyrazol-3-yl)amino]-2-(propan-2-yl)phthalazin-1(2h)-one
CCCCCCC(O)(P(=O)(O)O)P(=O)(O)O	028	(1-hydroxyheptane-1,1-diyl)bis(phosphonic acid)
[H]/N=C(\N)/NCC1CCC(CC1)C(=O)O	029	cis-4-(carbamimidamidomethyl)cyclohexanecarboxylic acid
C1CN[C@@H]1C(=O)O	02A	(2s)-azetidine-2-carboxylic acid
Cc1cc(c(c(c1S(=O)(=O)O)C)C)OC	02B	4-methoxy-2,3,6-trimethylbenzenesulfonic acid
[H]/N=C(/c1csc(n1)CN)\N	02C	2-(aminomethyl)-1,3-thiazole-4-carboximidamide
[H]/N=C(/c1ccc(s1)CN)\N	02D	5-(aminomethyl)thiophene-2-carboximidamide
CO/C=C/C[C@@H](N)P(O)(O)(Oc1ccccc1)Oc2ccccc2	02E	(e,1s)-1-[dihydroxy(diphenoxy)-$l^{5}-phosphanyl]-4-methoxy-but-3-en-1-amine
COCCC[C@@H](N)P(=O)(O)O	02F	[(1s)-1-amino-4-methoxybutyl]phosphonic acid
C(CS)/C=C/[C@H](CC(=O)O)O	02G	(3s,4e)-3-hydroxy-7-sulfanylhept-4-enoic acid
c1ccc(cc1)C[C@@H](C[C@@H]([C@H](Cc2ccc(cc2)c3cccnc3)N)O)N	02H	(2s,3s,5s)-2,5-diamino-6-phenyl-1-[4-(pyridin-3-yl)phenyl]hexan-3-ol
c1nc(c2c(n1)n3c(n2)[C@@H]([C@@H]4[C@H](C[C@H]3O4)O)OP(=O)(O)O)N	02I	(6s,7s,8s,10r)-4-amino-8-hydroxy-7,8,9,10-tetrahydro-6h-7,10-epoxyazepino[1,2-e]purin-6-yl dihydrogen phosphate
Cc1cc(no1)C(=O)O	02J	5-methyl-1,2-oxazole-3-carboxylic acid
C1CCC(CC1)(C(=O)O)N	02K	1-aminocyclohexanecarboxylic acid
CC(C)(C)CNC(=O)C[C@@H](C(=O)O)N	02L	n-(2,2-dimethylpropyl)-l-asparagine
Cc1ccc(cc1)CN	02N	1-(4-methylphenyl)methanamine
CC(C)(C)c1nc(on1)C[C@@H](C(=O)O)N	02O	3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-l-alanine
C[n+]1ccc(cc1CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N)Cl	02P	d-phenylalanyl-n-[(4-chloro-1-methylpyridinium-2-yl)methyl]-l-prolinamide
Cc1ccccc1CCC(=O)O	02Q	3-(2-methylphenyl)propanoic acid
c1ccc(c(c1)CN)Cl	02R	1-(2-chlorophenyl)methanamine
c1ccc(cc1)COc2ccc(cc2)C(=O)O	02S	4-(benzyloxy)benzoic acid
Cc1ccsc1CN	02T	1-(3-methylthiophen-2-yl)methanamine
CCC(C)CCCC=CCCCCCCCC(=O)O	02U	14-methylhexadec-9-enoic acid
CN[C@@H](c1ccc(c(c1)O)O)C(=O)O	02V	(2s)-(3,4-dihydroxyphenyl)(methylamino)ethanoic acid
Cc1nc2ccccc2n1CCN	02W	2-(2-methyl-1h-benzimidazol-1-yl)ethanamine
CC(C)[C@H](CC(=O)O)C(=O)O	02X	(2s)-2-(propan-2-yl)butanedioic acid
C(CC(=O)C[N+]#N)[C@@H](C(=O)O)N	02Y	6-diazonio-5-oxo-l-norleucine
c1ccc(cc1)Nc2nc(c(s2)C(=O)N)N	02Z	4-amino-2-(phenylamino)-1,3-thiazole-5-carboxamide
C1[C@H](C[C@@H]2[C@H]1[C@H](CO2)O)OC(=O)O	030	(3r,3ar,5r,6ar)-3-hydroxyhexahydro-2h-cyclopenta[b]furan-5-yl hydrogen carbonate
COc1ccc(cc1)S(=O)(=O)[N@@](C[C@H]2CCC(=O)N2)C[C@H]([C@H](Cc3ccccc3)NC(=O)O[C@@H]4C[C@@H]5CCO[C@@H]5C4)O	031	(3as,5r,6ar)-hexahydro-2h-cyclopenta[b]furan-5-yl [(1s,2r)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2r)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate
CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4ccc(cc4)Cl)F	032	n-(3-{[5-(4-chlorophenyl)-1h-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide
CC(C)[C@@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)NC(=O)c3cc4ccccc4o3	033	n-({4'-[(1-benzofuran-2-ylcarbonyl)amino]-1,1'-biphenyl-4-yl}sulfonyl)-l-valine
CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(cc3)c4ccc5c(c4)cc([nH]5)C(=O)O	034	5-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1h-indole-2-carboxylic acid
C(CC[C@@H](C(=O)O)OP(=O)(O)O)CCOP(=O)(O)O	035	(2s)-2,7-bis(phosphonooxy)heptanoic acid
C(CC[C@H](C(=O)O)OP(=O)(O)O)CCOP(=O)(O)O	036	(2r)-2,7-bis(phosphonooxy)heptanoic acid
C1C[C@H]2CN[C@@H]([C@H]2C1)C(=O)O	037	(1s,3ar,6as)-octahydrocyclopenta[c]pyrrole-1-carboxylic acid
CC(C)C[C@@H](C(=O)NC[C@](CCc1ccccc1)(C(=O)Nc2cccc(c2)C(=O)O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CNC(=O)c3[nH]nnn3)N	038	3-[[(2s)-2-[[[(2s)-2-[[(2s)-2-[[(2s)-2-azanyl-3-(1h-1,2,3,4-tetrazol-5-ylcarbonylamino)propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]methyl]-2-hydroxy-4-phenyl-butanoyl]amino]benzoic acid
COc1ccccc1N2C(=Nc3cccc(c3C2=O)Cl)CSc4c5c([nH]cn5)ncn4	039	2-((9h-purin-6-ylthio)methyl)-5-chloro-3-(2-methoxyphenyl)quinazolin-4(3h)-one
CCCC(C(=O)C(=O)NC1CC1)N	03A	(3s)-3-amino-n-cyclopropyl-2-oxohexanamide
Cc1c(c(c(n1C)c2ccc(cc2)Cl)c3cccc(c3)N4CCN(CC4)c5ccc(cc5)NS(=O)(=O)c6ccc(c(c6)[N+](=O)[O-])N[C@H](CCN(C)C)CSc7ccccc7)C(=O)O	03B	5-(4-chlorophenyl)-4-{3-[4-(4-{[(4-{[(2r)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]amino}phenyl)piperazin-1-yl]phenyl}-1,2-dimethyl-1h-pyrrole-3-carboxylic acid
Cc1ccccc1n2c(c(cn2)C(=O)c3cccc(c3)C4CCN(CC4)S(=O)(=O)C)N	03C	[5-amino-1-(2-methylphenyl)-1h-pyrazol-4-yl]{3-[1-(methylsulfonyl)piperidin-4-yl]phenyl}methanone
CC(C)C[C@@H]([C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](CC2CC2)C[C@@H]([C@H](Cc3ccccc3)O)O)O)O	03D	(2r,4s,5s)-n-[(2s,3r,4s)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-2-(cyclopropylmethyl)-4,5-dihydroxy-6-phenylhexanamide
C1CCCC(CC1)(C(=O)O)N	03E	1-aminocycloheptanecarboxylic acid
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCC/C=C\CCCCCCCC)O	03F	(9z)-n-[(2s,3r,4e)-1-(beta-d-glucopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]octadec-9-enamide
CC1(CC(CC(N1)(C)C)NC(=O)C(=O)Nc2ccc(cc2)Cl)C	03G	n-(4-chlorophenyl)-n'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide
CC(C)C[C@@H](C(=O)O)Cl	03H	(2s)-2-chloro-4-methylpentanoic acid
C[C@@](CCc1ccc(cc1)c2ccc(cc2)OCCCN3CCOCC3)(C(=O)NO)S(=O)(=O)C	03I	(2r)-n-hydroxy-2-methyl-2-(methylsulfonyl)-4-{4'-[3-(morpholin-4-yl)propoxy]biphenyl-4-yl}butanamide
c1ccc(cc1)c2cc(sc2)c3ccc(cc3)CCC(=O)O	03J	3-[4-(4-phenylthiophen-2-yl)phenyl]propanoic acid
c1cc(ccc1C(=O)N)C(=O)Nc2cc([nH]n2)C3CC3	03K	n-(5-cyclopropyl-1h-pyrazol-3-yl)benzene-1,4-dicarboxamide
c1ccc(c(c1)C(=O)NCc2c(cccc2Cl)Sc3ccc(cc3Cl)Cl)C(=O)O	03L	2-({2-chloro-6-[(2,4-dichlorophenyl)sulfanyl]benzyl}carbamoyl)benzoic acid
Cc1c(ccc2c1[nH]cc2/C=C\3/C(=O)N(C(=O)N3)Cc4ccc(c(c4)F)F)Cl	03M	(5z)-5-[(6-chloro-7-methyl-1h-indol-3-yl)methylidene]-3-(3,4-difluorobenzyl)imidazolidine-2,4-dione
[H]/N=C(\N)/N1CCC(CC1)CN	03N	4-(aminomethyl)piperidine-1-carboximidamide
CN1[C@H](CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)O	03O	4-({[(6s)-2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoic acid
CC(C)(CC(=O)NCCn1ccc2c1c(ncn2)Nc3ccc(c(c3)Cl)Oc4cccc(c4)C(F)(F)F)O	03P	n-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5h-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide
c1cc(cc(c1)Oc2c(cc(cn2)Nc3c4c(ccn4CCOCCO)ncn3)Cl)C(F)(F)F	03Q	2-{2-[4-({5-chloro-6-[3-(trifluoromethyl)phenoxy]pyridin-3-yl}amino)-5h-pyrrolo[3,2-d]pyrimidin-5-yl]ethoxy}ethanol
[H]/N=C(/c1cccc(c1)Oc2c(c(c(c(n2)Oc3ccccc3C(=O)O)F)N[C@@H](C)CCc4ccccc4)F)\N	03R	2-({6-{3-[amino(imino)methyl]phenoxy}-3,5-difluoro-4-[(1-methyl-3-phenylpropyl)amino]-2-pyridinyl}oxy)benzoic acid
CS(=O)(=O)O	03S	methanesulfonic acid
c1ccc2c(c1)cc(s2)S(=O)(=O)N	03T	1-benzothiophene-2-sulfonamide
CC/C(=C(\C#N)/C(=O)Nc1ccc(c(c1)C(=O)OC)c2ccc(cc2)F)/O	03U	methyl 4-{[(2z)-2-cyano-3-hydroxypent-2-enoyl]amino}-4'-fluorobiphenyl-2-carboxylate
c1ccc2cc(ccc2c1)O	03V	naphthalen-2-ol
C([C@H](C(O)O)O)O	03W	(2r)-propane-1,1,2,3-tetrol
CC1=C(C(=O)N(N1C)c2ccccc2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OC)OC	03X	n-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazole-4-carboxamide
C[C@](CS)(C(=O)O)N	03Y	2-methyl-l-cysteine
c1ccc(cc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N	03Z	4-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide
Cc1ccccc1C(=O)CC(=O)C(=O)O	040	4-(2-methylphenyl)-2,4-dioxobutanoic acid
C=Cc1cc(cc2c1oc(n2)c3ccc(c(c3)F)O)O	041	2-(3-fluoro-4-hydroxyphenyl)-7-vinyl-1,3-benzoxazol-5-ol
CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]1[C@H](O1)C(=O)OCC	042	n-{[(2s,3s)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-l-threonyl-l-isoleucine
c1cc(cc(c1)Br)C(=O)CC(=O)C(=O)O	043	4-(3-bromophenyl)-2,4-dioxobutanoic acid
CC1=C(C(=O)N(N1C[C@@H](C)O)c2ccccc2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4ccc(c5)OC	044	n-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}-1-[(2r)-2-hydroxypropyl]-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazole-4-carboxamide
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)CO)O)O)O)O	045	beta-d-fructofuranosyl-(2->6)-beta-d-fructofuranosyl alpha-d-glucopyranoside
CC(=O)Nc1cc(ncn1)Oc2ccc3c(c2)CCN3C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C	046	5-{[6-(acetylamino)pyrimidin-4-yl]oxy}-n-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-2,3-dihydro-1h-indole-1-carboxamide
Cc1ccc(cc1)n2cc(c3c2cccc3)CNCC4CCCCC4	047	1-cyclohexyl-n-{[1-(4-methylphenyl)-1h-indol-3-yl]methyl}methanamine
c1ccc(cc1)C(=O)Nc2cc(ccc2F)Nc3ccc4c(c3)CCCCC4=O	048	n-{2-fluoro-5-[(5-oxo-6,7,8,9-tetrahydro-5h-benzo[7]annulen-2-yl)amino]phenyl}benzamide
CC(=O)N[C@@H](Cc1ccccc1)[C@H]([C@]2(CO2)C)O	049	2-(acetylamino)-4,5-anhydro-1,2-dideoxy-4-methyl-1-phenyl-d-xylitol
c1ccc(cc1)CC(=O)Nc2nnc(s2)CCSCCc3nnc(s3)NC(=O)Cc4ccccc4	04A	n,n'-[sulfanediylbis(ethane-2,1-diyl-1,3,4-thiadiazole-5,2-diyl)]bis(2-phenylacetamide)
C[C@H](CO)[C@@H]([C@H](Cc1ccccc1)N)O	04B	2-amino-1,2,4-trideoxy-4-methyl-1-phenyl-d-xylitol
C[C@H](CO)[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccc(cc2)OC)NC(=O)[C@H](C)NC(=O)CN3CCOCC3)O	04C	1,2,4-trideoxy-4-methyl-2-{[n-(morpholin-4-ylacetyl)-l-alanyl-o-methyl-l-tyrosyl]amino}-1-phenyl-d-xylitol
C[C@H](CO)[C@H]([C@H](CC(C)C)N)O	04D	(2r,3r,4s)-4-amino-2,6-dimethylheptane-1,3-diol
C(C(=O)O)I	04E	iodoacetic acid
C1CNC(=O)[C@@H]1C[C@@H]([C@@H](O)S(=O)(=O)O)N	04F	(1s,2s)-2-amino-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
c1cc2c(cc1O)OC3=CC(=O)C=CC3=N2	04G	7-hydroxy-3h-phenoxazin-3-one
[H]/N=C(\N)/N1CCC[C@H](C1)CN	04H	(3s)-3-(aminomethyl)piperidine-1-carboximidamide
c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)c(nc(n3)N)N	04J	aminopterin
CCN(CC)CCOc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)C(=C3)Oc4ccc(cc4)F)C	04K	2-({4-[2-(diethylamino)ethoxy]phenyl}amino)-6-(4-fluorophenoxy)-8-methylpyrido[2,3-d]pyrimidin-7(8h)-one
Cc1ccc(cc1C(=O)Nc2cc3c([nH]c(n3)c4ccccc4)nc2)NC(=O)/C=C/c5ccccc5	04L	2-methyl-n-(2-phenyl-3h-imidazo[4,5-b]pyridin-6-yl)-5-{[(2e)-3-phenylprop-2-enoyl]amino}benzamide
CCCCCCCCOc1cccc(c1)COc2ccc(cc2C(=O)O)S(=O)(=O)N3CCOCC3	04M	5-(morpholin-4-ylsulfonyl)-2-{[3-(octyloxy)benzyl]oxy}benzoic acid
c1ccc(cc1)[C@@H]2OC[C@@H]3[C@@H](O2)[C@@H]([C@H]([C@H](O3)O)N)O	04N	2-amino-2-deoxy-4,6-o-(phenylmethylidene)-alpha-d-glucopyranose
c1ccc(cc1)CC[C@@H]2OC[C@@H]3[C@@H](O2)[C@@H]([C@H]([C@H](O3)O)N)O	04O	2-amino-2-deoxy-4,6-o-[(1r)-3-phenylpropylidene]-alpha-d-glucopyranose
[H]/N=C(\N)/N1CCC[C@H](C1)CO	04P	(3r)-3-(hydroxymethyl)piperidine-1-carboximidamide
c1ccc(cc1)CNCC(=O)O	04Q	n-benzylglycine
C1CCc2c(c(nn2CC(=O)O)C(F)(F)F)C1	04R	[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]acetic acid
C1CNC[C@@H]1N	04S	(3r)-pyrrolidin-3-amine
CC(=O)Nc1ccc(cc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)C	04T	n-(4-{[4-(methylsulfonyl)-2-nitrophenyl]amino}phenyl)acetamide
C1[C@@H](CN[C@@H]1C(=O)O)N=[N+]=N	04U	azanylidene-[(3s,5s)-5-carboxypyrrolidin-3-yl]imino-azanium
[H]/N=C(/[C@@H]1CCCN1)\O	04V	(2s)-pyrrolidine-2-carboximidic acid
CCCCCCCCCCOc1cccc(c1)COc2ccc(cc2C(=O)O)[N+](=O)[O-]	04W	2-{[3-(decyloxy)benzyl]oxy}-5-nitrobenzoic acid
C1COCCN1CC2=CC[C@H](NC2)C(=O)O	04X	(2s)-5-(morpholin-4-ylmethyl)-1,2,3,6-tetrahydropyridine-2-carboxylic acid
c1ccc(cc1)c2ccncc2N3CCC(CC3)C(=O)NC4CC4	04Y	n-cyclopropyl-1-(4-phenylpyridin-3-yl)piperidine-4-carboxamide
COc1cccc(c1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N	04Z	4-{[4-amino-5-(3-methoxybenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
c1cc(c(cc1C#N)F)COc2ccc3cc(ccc3c2)S(=O)(=O)N[C@H]4CC[C@H](C[C@H]4C(=O)O)C(=O)O	051	(1r,3r,4s)-4-[({6-[(4-cyano-2-fluorobenzyl)oxy]naphthalen-2-yl}sulfonyl)amino]cyclohexane-1,3-dicarboxylic acid
Cc1cc(ccc1C(=O)NC2CC2)c3cnn4c3nc(cc4NCCN5CCOCC5)Oc6ccccc6	052	n-cyclopropyl-2-methyl-4-(7-{[2-(morpholin-4-yl)ethyl]amino}-5-phenoxypyrazolo[1,5-a]pyrimidin-3-yl)benzamide
c1cc2c(cc1C(F)(F)F)c(c(n2Cc3ccnc(c3)N)C(=O)O)C4=CC=CNC4=O	053	1-[(2-aminopyridin-4-yl)methyl]-3-(2-oxo-1,2-dihydropyridin-3-yl)-5-(trifluoromethyl)-1h-indole-2-carboxylic acid
c1cc2c(cc1C(F)(F)F)c(c(n2Cc3ccnc(c3)N)C(=O)O)N4C(=O)c5cscc5NC4=O	054	1-[(2-aminopyridin-4-yl)methyl]-3-(2,4-dioxo-1,2-dihydrothieno[3,4-d]pyrimidin-3(4h)-yl)-5-(trifluoromethyl)-1h-indole-2-carboxylic acid
Cc1cccc(c1NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H](c4ccccc4)C(=O)O)Cl	055	(2s)-{[(3-{[(2-chloro-6-methylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]amino}(phenyl)ethanoic acid
c1cc(cc(c1)C(=O)O)CSCc2ccc(cc2Cl)Cl	056	3-[(2,4-dichlorophenyl)methylsulfanylmethyl]benzoic acid
CC(C)(CO)NC(=O)c1ccc2c(c1)c(cn2C)c3cc4cccnc4[nH]3	057	n-(2-hydroxy-1,1-dimethylethyl)-1-methyl-3-(1h-pyrrolo[2,3-b]pyridin-2-yl)-1h-indole-5-carboxamide
c1ccc(cc1)Cn2c3ccc(cc3c(c2C(=O)O)c4ccccc4F)Cl	058	1-benzyl-5-chloro-3-(2-fluorophenyl)-1h-indole-2-carboxylic acid
CC(C)[C@H](NS(=O)(=O)CCc1ccccc1)[P@](=O)(C[C@@H](c2cccc(c2)CN)C(=O)O)O	059	(2s)-2-[3-(aminomethyl)phenyl]-3-{(s)-hydroxy[(1r)-2-methyl-1-{[(2-phenylethyl)sulfonyl]amino}propyl]phosphoryl}propanoic acid
CC1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CO3)COP(=O)(O)O)CC(=O)NC[C@]45CO[C@H]([C@@H]4O)[C@@H](O5)N6C=C(C(=O)NC6=O)C	05A	[(1r,3r,4r,7s)-3-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-7-[2-[[(1s,3r,4r,7s)-3-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-7-oxidanyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methylamino]-2-oxidanylidene-ethyl]-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl dihydrogen phosphate
c1cc2c(cc1c3nccc(n3)c4cc5c([nH]4)C6(CCNCC6)CNC5=O)OCO2	05B	2'-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-5',6'-dihydrospiro[piperidine-4,7'-pyrrolo[3,2-c]pyridin]-4'(1'h)-one
Cc1cccc2c1c(ccc2)N3CCc4c(nc(nc4N5CCNC[C@H]5C)OC[C@@H]6CCCN6C)C3	05C	7-(8-methylnaphthalen-1-yl)-4-[(2~{r})-2-methylpiperazin-1-yl]-2-[[(2~{s})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{h}-pyrido[3,4-d]pyrimidine
Cc1cnn(c1)c2ccncc2N3CCC(CC3)C(=O)N(C)C	05D	n,n-dimethyl-1-[4-(4-methyl-1h-pyrazol-1-yl)pyridin-3-yl]piperidine-4-carboxamide
C(COP(=O)(O)O[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O)N	05E	2-azanylethyl [(2~{s},3~{s},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate
Cc1cccc2c1c(ccc2)N3CCc4c(nc(nc4N5[C@@H]6CC[C@H]5CNC6)OC[C@@H]7CCCN7C)C3	05F	4-[(1~{r},5~{s})-3,8-diazabicyclo[3.2.1]octan-8-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{s})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{h}-pyrido[3,4-d]pyrimidine
Cc1cc(c(cc1S(=O)(=O)O)OC)/N=N/c2c3ccc(cc3ccc2O)S(=O)(=O)O	05G	6-hydroxy-5-[(e)-(2-methoxy-5-methyl-4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CNC(=O)C[C@H]3[C@@H]4[C@@H](O[C@]3(CO4)COP(=O)(O)O)N5C=C(C(=O)NC5=O)C)O	05H	[(1r,3r,4r,7s)-3-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-7-[2-[[(2r,3s,5r)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methylamino]-2-oxidanylidene-ethyl]-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl dihydrogen phosphate
Cc1cccc2c1c(ccc2)N3CCc4c(nc(nc4N5C[C@H]6CC[C@@H](C5)N6)OC[C@@H]7CCCN7C)C3	05I	4-[(1~{s},5~{r})-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{s})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{h}-pyrido[3,4-d]pyrimidine
CC[C@]1(CCc2c1nc(cc2)N3c4c(cnc(n4)Nc5ccc(cc5)N6CCN(CC6)C)C(=O)N3CC=C)O	05J	1-[(7r)-7-ethyl-7-hydroxy-6,7-dihydro-5h-cyclopenta[b]pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-(prop-2-en-1-yl)-1,2-dihydro-3h-pyrazolo[3,4-d]pyrimidin-3-one
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)CC(=O)NC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O	05K	[(2s,3r,5r)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-[2-[[(2r,3s,5r)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methylamino]-2-oxidanylidene-ethyl]oxolan-2-yl]methyl dihydrogen phosphate
CCCCCCC[Se][C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	05L	heptyl 1-seleno-beta-d-glucopyranoside
CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCCCCCCCP(c2ccccc2)(c3ccccc3)c4ccccc4	05M	2,3-dimethoxy-5-methyl-6-[10-(triphenyl-$l^{5}-phosphanyl)decyl]cyclohexa-2,5-diene-1,4-dione
C[C@H]1[C@H](CN[C@@H]1C(=O)O)O	05N	(3r,4r)-4-hydroxy-3-methyl-l-proline
c1cc(ccc1C[C@@H](C(=O)O)N)OC(F)(F)F	05O	(2s)-2-amino-3-[4-(trifluoromethoxy)phenyl]propanal
c1ccc(cc1)COc2c3c(nc[nH]3)nc(n2)Cl	05Q	6-benzyloxo-2-chloropurine
c1cc(c(cc1CC(=O)O)Cl)Cl	05R	2-(3,4-dichlorophenyl)ethanoic acid
Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4ccc(c(c4)N[C@H](CNCCC2)C)C(=O)N	05S	(6s)-6,15,15,18-tetramethyl-17-oxo-2,3,4,5,6,7,14,15,16,17-decahydro-1h-8,12-(metheno)[1,4,9]triazacyclotetradecino[9,8-a]indole-9-carboxamide
[H]/N=C(\N)/NC1CCC(CC1)CN	05T	1-[4-(aminomethyl)cyclohexyl]guanidine
CC(C)C[C@@H]([C@H](C(C)C)O)N	05U	(3s,4s)-4-azanyl-2,6-dimethyl-heptan-3-ol
C[C@H](CO)[C@@H]([C@H](CC(C)C)N)O	05W	(2r,3s,4s)-4-azanyl-2,6-dimethyl-heptane-1,3-diol
CN1CCC(CC1)C(=O)c2cccc(n2)NC(=O)c3c(cc(cc3F)F)F	05X	2,4,6-tris(fluoranyl)-n-[6-(1-methylpiperidin-4-yl)carbonylpyridin-2-yl]benzamide
CCC(=O)Nc1nc2ccccc2n1CCc3ccccn3	05Y	~{n}-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]propanamide
c1ccc(cc1)CSc2c3c(nc[nH]3)nc(n2)Cl	05Z	6-benzylthio-2-chloropurine
CSC[C@H](C(=O)O)N	060	s-methyl-d-cysteine
CCCCC1=Nc2ccc(cc2C(=O)N1Cc3ccc(cc3)c4ccccc4c5[nH]nnn5)O	061	2-butyl-6-hydroxy-3-[2'-(1h-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3h-quinazolin-4-one
c1ccc2c(c1)-c3c[n+](ccc3[C@]2(C(=O)N4CCC[C@H]4C(=O)NCc5cc(ccc5CN)Cl)O)[O-]	062	3-aza-9-hydroxy-9-fluorenylcarbonyl-l-prolyl-2-aminomethyl-5-chlorobenzylamide, n-oxide
C[C@]1(c2cc(c(cc2CCN1)OCCOCCNC(=O)[C@H](CCCNC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)Oc3ccc(c(c3)F)c4ccc(cc4)C(=O)O)CC(=O)Nc5nccs5	063	4'-{[(1r)-6-{2-[2-({n~5~-[n,n'-bis(tert-butoxycarbonyl)carbamimidoyl]-n~2~-(tert-butoxycarbonyl)-l-ornithyl}amino)ethoxy]ethoxy}-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-2'-fluoro[1,1'-biphenyl]-4-carboxylic acid
CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(c(c3)Cl)\C=C\c4cccc(c4)C(=O)O	064	3-[(e)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid
CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)OCO5	065	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl(2s,3r)-3-hydroxy-4-(n-isobutylbenzo[d][1,3]dioxole-5-sulfonamido)-1-phenylbutan-2-ylcarbamate
Cc1cc(cc2c1ncc(c2Nc3cccc(c3)OC)C(=O)N)S(=O)(=O)c4cccc(c4)C(=O)N(C)C	066	6-{[3-(dimethylcarbamoyl)phenyl]sulfonyl}-4-[(3-methoxyphenyl)amino]-8-methylquinoline-3-carboxamide
c1cc(ccc1n2cc(nn2)C34C5=C6[Ru]5378912(C6=C74)C3C8=C9C1=C23)S(=O)(=O)N	067	p-(4-ruthenocenyl-1h-1,2,3-triazol-1-yl)benzenesulfonamide
CC(=O)c1ccc(cc1)c2ccc(cc2)CC[C@@H](CC(=O)O)O	068	(3s)-5-(4'-acetylbiphenyl-4-yl)-3-hydroxypentanoic acid
c1cc(cc(c1)O)C(=O)NO	069	n,3-dihydroxybenzamide
C[C@H](C(=O)N1CC2(C1)CC(C2)F)NC3=Nc4c(cnn4C5CCCC5)C(=O)N3	06A	 1-cyclopentyl-6-[[(2r)-1-(6-fluoranyl-2-azaspiro[3.3]heptan-2-yl)-1-oxidanylidene-propan-2-yl]amino]-5h-pyrazolo[3,4-d]pyrimidin-4-one
COc1ccc(c(c1C(=O)O)OC)Br	06B	3-bromo-2,6-dimethoxybenzoic acid
CI	06C	iodomethane
CCC(=O)N1CCC[C@H]1c2ccc(cc2)OC	06D	1-[(2~{s})-2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
c1c(cnc2c1sc3c2N=C(NC3=O)CNCCCCCC(=O)O)Br	06E	6-[(11-bromanyl-6-oxidanylidene-8-thia-3,5,13-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl)methylamino]hexanoic acid
Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc(c3)Nc4ccc5c(c4)CCCCC5=O	06F	1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-{3-[(5-oxo-6,7,8,9-tetrahydro-5h-benzo[7]annulen-2-yl)amino]phenyl}urea
[C@@H]1([C@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O	06G	d-myo-inositol 1,4,6-trisphosphate
Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4ccc(c(c4)N[C@H](C(=O)N(CCC2)C)C)C(=O)N	06H	(6s)-4,6,15,15,18-pentamethyl-5,17-dioxo-2,3,4,5,6,7,14,15,16,17-decahydro-1h-12,8-(metheno)[1,4,9]triazacyclotetradecino[9,8-a]indole-9-carboxamide
Cc1c(ncs1)COc2cc(cc(c2)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O	06I	5-(3-{3-chloro-5-[(5-methyl-1,3-thiazol-4-yl)methoxy]phenyl}-2-oxo-2h-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1h,3h)-dione
Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4ccc(c(c4)NC[C@H]5CCCN5CCC2)C(=O)N	06J	(3ar)-13,13,16-trimethyl-15-oxo-1,2,3,3a,4,5,12,14,15,17,18,19-dodecahydro-13h-10,6-(metheno)pyrrolo[2',1':3,4][1,4,9]triazacyclotetradecino[9,8-a]indole-7-carboxamide
c1[nH]c2c(n1)nc(nc2Cl)Cl	06K	2,6-bis(chloranyl)-7h-purine
CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)O	06L	betulinic acid
CS(=N)(=O)C1(CC1)c2cc(nc(n2)c3ccnc4c3cc[nH]4)C5=CN(C(=O)c6c5cc[nH]6)CCC=C	06M	6-(but-3-en-1-yl)-4-[6-{1-[(r)-s-methanesulfonimidoyl]cyclopropyl}-2-(1h-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-1,6-dihydro-7h-pyrrolo[2,3-c]pyridin-7-one
CCCNc1nn2c(cnc2s1)c3ccc(cc3)O	06N	4-[2-(propylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenol
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1OC(=O)CCCCCCCCCCCCCCC)O)O)O)O)OC(=O)CCCCCCC/C=C\C=C/CCCCCC	06O	[(2~{r})-1-hexadecanoyloxy-3-[[(1~{s},2~{r},3~{r},4~{s},5~{s},6~{r})-2-hexadecanoyloxy-3,4,5,6-tetrakis(oxidanyl)cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-propan-2-yl] (9~{z},11~{z})-octadeca-9,11-dienoate
C[n+]1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N	06P	d-phenylalanyl-n-[(1-methylpyridinium-4-yl)methyl]-l-prolinamide
c1ccc(cc1)CNC(=O)[C@H]([C@H](C[C@@H]2CCCNC2=O)NC(=O)[C@H](Cc3ccc(cc3)F)NC(=O)c4cc5ccccc5o4)O	06Q	n-[(2s)-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2s,3s)-3-oxidanyl-4-oxidanylidene-1-[(3s)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide
c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)C(F)(F)F	06R	2-[4-(trifluoromethyl)phenyl]-3h-quinazolin-4-one
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O[C@@H]4[C@H](O[C@H]([C@@H]4O)N5C=CC(=O)NC5=O)COP(=O)(O)S)S)OP(=O)(O)S)O)NC(=NC2=O)N	06S	o-[(2r,3s,4r,5r)-5-(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)-2-({[(s)-({(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-4-hydroxy-2-[(thiophosphonooxy)methyl]tetrahydrofuran-3-yl}oxy)(sulfanyl)phosphoryl]oxy}methyl)-4-hydroxytetrahydrofuran-3-yl] dihydrogen (s)-phosphorothioate
Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4ccc(c(c4)N[C@H]([C@@H](CN(CC2)C(=O)[C@H](C)N)C)C)C(=O)N	06T	(5r,6s)-3-(l-alanyl)-5,6,15,15,18-pentamethyl-17-oxo-2,3,4,5,6,7,14,15,16,17-decahydro-1h-12,8-(metheno)[1,5,9]triazacyclotetradecino[1,2-a]indole-9-carboxamide
CCc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(cc(c2)OC)c3ccncc3	06U	6-ethyl-5-{(3r)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine
CCc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(cc(c2)OC)N3CCOCC3	06V	6-ethyl-5-{(3r)-3-[3-methoxy-5-(morpholin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine
CCc1c(c(nc(n1)N)N)C#C[C@@H](C)c2cc(cc(c2)OC)c3ccncc3	06W	6-ethyl-5-{(3s)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine
CCOC(=O)C1=C(NC(=C(C1c2ccccc2Cl)C(=O)OC)C)COCCN	06X	amlodipine
c1ccc(cc1)OCC(=O)O	06Y	2-phenoxyethanoic acid
c1ccc(cc1)C(=O)c2c(nc(s2)Nc3cccc(c3)F)N	06Z	{4-amino-2-[(3-fluorophenyl)amino]-1,3-thiazol-5-yl}(phenyl)methanone
c1ccc(cc1)C[C@@H]2[C@H](O2)[C@@H]([C@H](Cc3ccccc3)N)O	070	(1r,2s)-2-azanyl-3-phenyl-1-[(2r,3r)-3-(phenylmethyl)oxiran-2-yl]propan-1-ol
Cn1c-2c(c(n1)C(=O)N)CCc3c2nc(nc3)Nc4cc(ccc4OC)N5CCN(CC5)C	071	8-{[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]amino}-1-methyl-4,5-dihydro-1h-pyrazolo[4,3-h]quinazoline-3-carboxamide
CCCCCCC[C@H]1N(C(=O)[C@@H](S1)CC(=O)N(Cc2ccccc2)Cc3ccccc3)CCCCc4ccc(cc4)C(=O)O	072	(+/-)(2s,5s)-3-(4-(4-carboxyphenyl)butyl)-2-heptyl-4-oxo-5-thiazolidine
COC(=O)c1ccc(cc1)[C@@](C\C=C\c2ccccc2)(Cc3ccc(cc3)C(F)(F)P(=O)(O)O)n4c5ccccc5nn4	073	(4-{(2s,4e)-2-(1h-1,2,3-benzotriazol-1-yl)-2-[4-(methoxycarbonyl)phenyl]-5-phenylpent-4-enyl}phenyl)(difluoro)methylphosphonic acid
CCCNC(=O)[C@H](CC(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)O)O	074	[propylamino-3-hydroxy-butan-1,4-dionyl]-isoleucyl-proline
CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CS(=O)(=O)C)NC(=O)COc3cccc4c3ccnc4)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O)C	075	(4r)-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-3-[(2s,3s)-2-hydroxy-3-({n-[(isoquinolin-5-yloxy)acetyl]-3-(methyl sulfonyl)-l-alanyl}amino)-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]2[C@H](O2)Cc3ccccc3)O)NC(=O)COc4ccccc4	076	(s)-n-((1r,2s)-1-((2r,3r)-3-benzyloxiran-2-yl)-1-hydroxy-3-phenylpropan-2-yl)-3-methyl-2-(2-phenoxyacetamido)butanamide
c1ccc(cc1)c2ccc(cc2)CC[C@@H](CC(=O)O)O	077	(3s)-5-biphenyl-4-yl-3-hydroxypentanoic acid
c1ccc(cc1)C[C@@H]([C@H]([C@@H]([C@@H](Cc2ccccc2)O)N)O)N	078	(2r,3r,4r,5s)-3,5-bis(azanyl)-1,6-diphenyl-hexane-2,4-diol
CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@@H](Cc2ccccc2)O)N)O)NC(=O)COc3ccccc3	079	(s)-n-((2s,3s,4r,5r)-4-amino-3,5-dihydroxy-1,6-diphenylhexan-2-yl)-3-methyl-2-(2-phenoxyacetamido)butanamide
COC(=O)[C@H]1C[C@@H]([C@H](C[C@@H]1C(=O)OC)O)O	07B	dimethyl (1s,2s,4s,5s)-4,5-dihydroxycyclohexane-1,2-dicarboxylate
CSc1ncc2cc3cnccc3c(c2n1)[N+](=O)[O-]	07C	2-methylsulfanyl-10-nitro-pyrido[3,4-g]quinazoline
CCc1c(c2n3c1C=C4C(=C5C(=O)[C@@H](C6=C7C(=C(C8=CC9=[N]([Mg]3(N87)[N]4=C65)C(=C2)C(=C9C)C(=O)C)C)CCC(=O)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C(=O)OC)C)C	07D	trans-geranyl bacteriochlorophyll a
C[C@@H](CCO[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O	07E	(3s)-3-hydroxybutyl beta-d-xylopyranoside
CC1=C(C(=O)N(C(=N1)c2cccc(c2O)F)CCc3ccccc3)Cc4ccccc4	07F	5-benzyl-2-(3-fluoro-2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4(3h)-one
CC(C)(C)NC(=O)[C+](c1c2ccc(cc2[nH]c1C(=O)O)Cl)N(Cc3ccc(c(c3)F)F)C=O	07G	2-(tert-butylamino)-1-(2-carboxy-6-chloro-1h-indol-3-yl)-1-[(3,4-difluorobenzyl)(formyl)amino]-2-oxoethylium
c1ccc2c(c1)C=C(CO2)CN3CCN(CC3)C(=O)c4cccc(c4)c5ccn[nH]5	07H	[4-(2h-chromen-3-ylmethyl)piperazin-1-yl]-[3-(1h-pyrazol-5-yl)phenyl]methanone
C[C@H]1C[C@H]([C@H](O[C@H]1C/C=C(\C)/C=C/[C@@H]2CC(=CC(=O)O2)C)C)NC(=O)/C=C\[C@H](C)OC(=O)C	07I	spliceostatin e (form i)
CCN1CCN(CC1)c2ccc(cc2)Nc3cc(ncn3)N(C)C(=O)Nc4c(c(cc(c4Cl)OC)OC)Cl	07J	3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-{[4-(4-ethylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1-methylurea
Cc1cccc2c1nccc2N	07K	8-methylquinolin-4-amine
c1cc2c(cc1O)OC(=O)C=C2	07L	7-hydroxy-2h-chromen-2-one
c1cc(c(nc1)C#N)CSc2c3c(c(c(n2)O)C#N)CCOC3	07M	8-{[(2-cyanopyridin-3-yl)methyl]sulfanyl}-6-hydroxy-3,4-dihydro-1h-pyrano[3,4-c]pyridine-5-carbonitrile
Cc1c(c(c([nH]1)C(=O)N[C@@H]2CCN(C[C@@H]2F)c3ncc(s3)C(=O)O)Cl)Cl	07N	2-[(3s,4r)-4-{[(3,4-dichloro-5-methyl-1h-pyrrol-2-yl)carbonyl]amino}-3-fluoropiperidin-1-yl]-1,3-thiazole-5-carboxylic acid
C[C@@H](c1ccccc1)C(=O)SC[C@@H](C(=O)O)N	07O	s-[(2s)-2-phenylpropanoyl]-l-cysteine
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H](CCCCCCC[C@@H]2C[C@H]2CCCCCCCCCC)O	07P	n-[(2s,3r)-10-[(1r,2r)-2-decylcyclopropyl]-1-(alpha-d-galactopyranosyloxy)-3-hydroxydecan-2-yl]hexacosanamide
C[C@H](c1cccc(c1)OC)NC(=O)Nc2nc(cs2)c3ccncc3	07Q	1-[(1r)-1-(3-methoxyphenyl)ethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
c1cc(cc(c1)O)CNC(=O)Nc2nc(cs2)c3ccncc3	07R	1-[(3-hydroxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
c1cc(cnc1)c2cnc(s2)Nc3cc(ccn3)N4CCN(CC4)CC(=O)N5CCOCC5	07S	1-(morpholin-4-yl)-2-[4-(2-{[5-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}pyridin-4-yl)piperazin-1-yl]ethanone
Cn1c2cc(sc2c3c1C(=O)N(N=C3)Cc4cccc(c4)N)[S@](=O)C	07T	6-(3-aminobenzyl)-4-methyl-2-methylsulfinyl-4,6-dihydro-5h-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one
CC(C)(CNc1c2ccncc2cc(n1)c3ccncc3)N	07U	2-methyl-n~1~-[3-(pyridin-4-yl)-2,6-naphthyridin-1-yl]propane-1,2-diamine
CC1=CC[C@H](CC1=O)C(=C)C	07V	(5r)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one
c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O	07Y	(2s,3r,4r,5r)-2-(hydroxymethyl)-5-(4-nitrophenoxy)oxolane-3,4-diol
c1cc(cnc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)C(=O)O)N	07Z	4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzoic acid
C[C@]1(C(=O)NC(=O)O1)c2cccc(c2)CN3c4ccccc4N(C3=O)c5c6ccc(cc6on5)OC	082	(5r)-5-(3-{[3-(6-methoxy-1,2-benzoxazol-3-yl)-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl]methyl}phenyl)-5-methyl-1,3-oxazolidine-2,4-dione
Cc1cc(nc(n1)/C(=N/c2c3ccccc3cc(n2)c4ccccn4)/N)C	083	4,6-dimethyl-n'-(3-pyridin-2-ylisoquinolin-1-yl)pyrimidine-2-carboximidamide
C[C@@H](c1ccccc1)Nc2nccc(n2)c3c(nc(n3C)C4CCNCC4)c5cccc(c5)C(F)(F)F	084	4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1h-imidazol-2-yl]-piperidine
c1ccnc(c1)c2c([nH]c(n2)c3ccc(cc3)C(=O)N)c4ccc5c(c4)OCO5	085	4-[5-(1,3-benzodioxol-5-yl)-4-(pyridin-2-yl)-1h-imidazol-2-yl]benzamide
Cc1c(c(c([nH]1)C(=O)NC2CCN(CC2)c3cc(cc(n3)Cl)C(=O)N)Cl)Cl	087	2-chloro-6-(4-{[(3,4-dichloro-5-methyl-1h-pyrrol-2-yl)carbonyl]amino}piperidin-1-yl)pyridine-4-carboxamide
CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc4c(c3)ccn4Cc5cccc(c5)C(=O)O	088	3-[(5-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1h-indol-1-yl)methyl]benzoic acid
CCn1c2ccc(c(c2nn1)C)[C@@H](CC(=O)O)c3cc(c4c(c3)CN(CC4)C(=O)c5ccccc5)C	08A	(3s)-3-[2-(benzenecarbonyl)-5-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1h-benzotriazol-5-yl)propanoic acid
Cc1c(cc([nH]1)C(=O)NC2CCN(CC2)c3c(cccn3)[N+](=O)[O-])Br	08B	4-bromo-5-methyl-n-[1-(3-nitropyridin-2-yl)piperidin-4-yl]-1h-pyrrole-2-carboxamide
COc1ccc(cc1)C2=Nc3ccccc3C(=O)N2	08C	2-(4-methoxyphenyl)-3,4-dihydroquinazolin-4-one
Cc1cc(no1)NS(=O)(=O)c2ccc(cc2)N	08D	sulfamethoxazole
c1cc2c(cc1Cl)c(c(n2Cc3ccnc(c3)N)C(=O)O)C4=CC=CNC4=O	08E	1-[(2-aminopyridin-4-yl)methyl]-5-chloro-3-(2-oxo-1,2-dihydropyridin-3-yl)-1h-indole-2-carboxylic acid
CS(=O)(=O)Nc1cccc(c1)S(=O)(=O)NC(=O)c2c(c3cc(ccc3n2Cc4ccnc(c4)N)Cl)C5=CC=CNC5=O	08F	1-[(2-aminopyridin-4-yl)methyl]-5-chloro-n-({3-[(methylsulfonyl)amino]phenyl}sulfonyl)-3-(2-oxo-1,2-dihydropyridin-3-yl)-1h-indole-2-carboxamide
C[C@@H](c1ccccc1)NC(=O)Nc2cc3c(cn[nH]3)c(n2)CO	08G	1-[4-(hydroxymethyl)-1h-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1s)-1-phenylethyl]urea
Cc1nnc2n1-c3ccc(cc3C(=NC2)c4ccccc4)Cl	08H	8-chloro-1-methyl-6-phenyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CCc1c(c2/cc/3\nc(/cc\4/c(c(/c(/[nH]4)c\5/c6n/c(c\c1[nH]2)/C(=C6C(=O)[C@@H]5C(=O)OC)C)CCC(=O)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C)C(=C3C(=O)C)C)C	08I	trans-geranyl bacteriopheophytin a
Cc1ncc2n1-c3ccc(cc3C(=NC2)c4ccccc4F)Cl	08J	8-chloro-6-(2-fluorophenyl)-1-methyl-4h-imidazo[1,5-a][1,4]benzodiazepine
Cc1nnc2n1-c3ccc(cc3C(=NN2C)c4ccccc4)Cl	08K	8-chloro-1,4-dimethyl-6-phenyl-4h-[1,2,4]triazolo[4,3-a][1,3,4]benzotriazepine
c1ccc(cc1)C[C@H]2C(=O)N[C@H](C(=O)NCC[C@H](NC(=O)C=CC(=O)N[C@H](C(=O)N2)CC3CCCCC3)C(=O)O)CCCNC(=O)c4cnccn4	08L	(2s,5s,8s,13s,16z)-5-benzyl-2-(cyclohexylmethyl)-3,6,9,15,18-pentaoxo-8-{3-[(pyrazin-2-ylcarbonyl)amino]propyl}-1,4,7,10,14-pentaazacyclooctadec-16-ene-13-carboxylic acid
c1cnc(cn1)C(=O)NCCC[C@@H](C(=O)O)N	08M	n~5~-(pyrazin-2-ylcarbonyl)-l-ornithine
CN1CCc2cc3c(c(c2[C@@H]1[C@@H]4c5ccc(c(c5C(=O)O4)OC)OC)OC)OCO3	08N	noscapine
CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O	08O	(z)-docos-13-enoic acid
C([C@H](C(=O)O)NC(=O)C(=O)O)S	08P	n-(carboxycarbonyl)-d-cysteine
CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)COP(=O)(NCCS)O)O	08Q	5'-o-{(s)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}thymidine
Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCc3ccccc3OC	08R	6-{[(3s,4s)-4-{2-[(2-methoxybenzyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
CC(C)c1nnc(s1)NS(=O)(=O)c2ccc(cc2)CCNC(=O)c3c(c4ccc(cc4s3)F)Cl	08S	3-chloro-6-fluoro-n-[2-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]ethyl]-1-benzothiophene-2-carboxamide
[Be](OP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)(F)(F)F	08T	[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-tris(fluoranyl)beryllium 
C([C@H]1[C@@H]([C@H]([C@H](O1)NC(=O)CBr)O)O)O	08U	2-bromanyl-n-[(2s,3r,4r,5s)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]ethanamide
CN1CCc2cc(c(c-3c2[C@@H]1Cc4c3cc(c(c4)OC)OC)OC)OC	08V	glaucine
CNC(=O)c1cn(cn1)c2cc3c(cc2C(F)(F)F)NC(=O)N(C3=O)NS(=O)(=O)C	08W	n-methyl-1-{3-[(methylsulfonyl)amino]-2,4-dioxo-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinazolin-6-yl}-1h-imidazole-4-carboxamide
c1ccc(cc1)C=CC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC[C@H](NC(=O)/C=C\C(=O)N2)C(=O)N)CCCNC(=O)c3cnccn3)CC4CCCCC4	08X	(2s,5s,8s,13s,16z)-5-(cyclohexylmethyl)-3,6,9,15,18-pentaoxo-2-(3-phenylprop-2-en-1-yl)-8-{3-[(pyrazin-2-ylcarbonyl)amino]propyl}-1,4,7,10,14-pentaazacyclooctadec-16-ene-13-carboxamide
CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5Cc6c7c(cccc7[nH]c6Br)C5=C4)C)O	08Y	bromoergocryptine
c1cc(cnc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)C(=O)N)N	08Z	4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzamide
COc1ccc2c(c1OC)nc([n+]3c2[nH]cc3)NC(=O)c4cccnc4	090	n-(2,3-dihydro-7,8-dimethoxyimidazo[1,2-c] quinazolin-5-yl)nicotinamide
c1ccc2c(c1)[C@]3(CCNC3)C(=O)N2	091	(3s)-spiro[indole-3,3'-pyrrolidin]-2(1h)-one
COC(=O)[C@H]1C[C@@]2(CN1)c3ccccc3NC2=O	092	methyl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate
CC1=C(SC(=NC(=O)C)N1)c2ccc(c(c2)S(=O)(=O)NCCO)Cl	093	n-(5-(4-chloro-3-(2-hydroxy-ethylsulfamoyl)- phenylthiazole-2-yl)-acetamide
c1cc(c(c(c1)Cl)N2c3cc(c(nc3CNC2=O)Sc4ccc(cc4F)F)C5=CCNCC5)Cl	094	1-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)sulfanyl]-7-(1,2,3,6-tetrahydro-4-pyridinyl)-3,4-dihydropyrido[3,2-d]pyrimidin-2(1h)-one
c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)OC4CCOCC4)C(=O)N2	095	tetrahydro-2h-pyran-4-yl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate
CN1CCN(CC1)CCCc2cc(c(cc2[C@@H]3N(C(=O)CS3)c4cccnc4)OC)O	096	(2r)-2-{4-hydroxy-5-methoxy-2-[3-(4-methylpiperazin-1-yl)propyl]phenyl}-3-pyridin-3-yl-1,3-thiazolidin-4-one
CC(C)C[C@H]([C@@H](C(=O)NO)O)C(=O)N[C@H](C(=O)NC)C(C)(C)C	097	(2s,3r)-n~4~-[(1s)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-n~1~,2-dihydroxy-3-(2-methylpropyl)butanediamide
c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@H](Cc3cccc(c3)O)[C@@H](C(=O)NO)NCC4CC4)O	098	(3r)-n~2~-(cyclopropylmethyl)-n~1~-hydroxy-3-(3-hydroxybenzyl)-n~4~-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-l-aspartamide
c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@H](Cc3cccc(c3)O)CC(=O)NO)O	099	(2r)-n~4~-hydroxy-2-(3-hydroxybenzyl)-n~1~-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]butanediamide
c1ccc(cc1)COC(=O)[C@H]2C[C@@]3(CN2)c4ccccc4NC3=O	09A	benzyl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate
c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)OCc4ccc(cc4)C#N)C(=O)N2	09B	4-cyanobenzyl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate
c1cc2c(cc1Br)[nH]cc2[C@H]3C(=O)NCC(N3)c4c[nH]c5c4ccc(c5)Br	09C	(3s,5r)-3,5-bis(6-bromo-1h-indol-3-yl)piperazin-2-one
c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)O[C@H]4CCSc5c4cc(cc5)Br)C(=O)N2	09D	(4s)-6-bromo-3,4-dihydro-2h-thiochromen-4-yl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate
c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)O[C@H]4CCS(=O)(=O)c5c4cc(cc5)Br)C(=O)N2	09E	(4s)-6-bromo-1,1-dioxido-3,4-dihydro-2h-thiochromen-4-yl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate
c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)OC4(CCCCC4)C#N)C(=O)N2	09F	1-cyanocyclohexyl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate
c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)OCc4ccc(c(c4)Br)C#N)C(=O)N2	09G	3-bromo-4-cyanobenzyl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate
c1ccc(c(c1)NC(=O)c2csc(n2)c3ccc4c(c3)CCO4)N5CCNCC5	09H	2-(2,3-dihydro-1-benzofuran-5-yl)-n-[2-(piperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cc3c(o2)cccc3F)N4CCCCCC4)N	09I	3-azanyl-5-(azepan-1-yl)-n-carbamimidoyl-6-(4-fluoranyl-1-benzofuran-2-yl)pyrazine-2-carboxamide
CCN1C(=O)C(=Cc2n1c(nn2)c3c(cccc3Cl)F)c4cc(ccc4C)C(=O)NC5CC5	09J	3-[3-(2-chloro-6-fluorophenyl)-5-ethyl-6-oxo-5,6-dihydro[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-n-cyclopropyl-4-methylbenzamide
c1cc(ccc1CC(=O)Nc2cc(n[nH]2)C3CC3)OC(F)(F)F	09K	n-(5-cyclopropyl-1h-pyrazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
c1ccc2c(c1)C(=NNC2=O)Cc3ccc(c(c3)C(=O)N4CCN(CC4)C(=O)C5CC5)F	09L	4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2h)-one
Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3ccccc3N(C2=O)O)O	09M	(5-hydroxy-4-{[(1-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate
CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)O)O	09N	(11z,14z)-n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide
c1cc(cnc1)N2CCCNCC2	09O	1-(pyridin-3-yl)-1,4-diazepane
CCOc1cc(cnc1)N2CCCNCC2	09P	1-(5-ethoxypyridin-3-yl)-1,4-diazepane
c1ccc(cc1)c2cc(cnc2)N3CCCNCC3	09Q	1-(5-phenylpyridin-3-yl)-1,4-diazepane
c1cc(ncc1N2CCCNCC2)Br	09R	1-(6-bromopyridin-3-yl)-1,4-diazepane
CCOc1cc(cnc1Br)N2CCCNCC2	09S	1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane
Cc1cc2c(cc1C)n(cn2)Cc3ccc(c(c3)Cl)Cl	09T	1-(3,4-dichlorobenzyl)-5,6-dimethyl-1h-benzimidazole
COCC1CC1	09U	(methoxymethyl)cyclopropane
C1CC1CO	09V	cyclopropylmethanol
[H]/N=C(/c1cc(c(s1)CNC(=O)c2cccc3c2OCC3)c4ccccc4)\N	09W	~{n}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
C([C@H]1[C@@H]([C@H]([C@@H](O1)NC(=O)CBr)O)O)O	09X	2-bromanyl-n-[(2r,3r,4r,5s}-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]ethanamide
Cc1ccccc1C2=NC(=C(C(=O)N2)O)C(=O)NCCc3ccnc(c3)OC	09Y	5-hydroxy-n-[2-(2-methoxypyridin-4-yl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide
CC(C)Nc1nc(c(s1)C(=O)c2cccnc2)N	09Z	[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone
c1nc(c2c(n1)n(cn2)[C@@H]3[C@H]([C@H]([C@@H](O3)COP(=O)(O)O)O)O)N	0A	l-adenosine-5'-monophosphate
C[C@](CC(=O)O)(C(=O)O)N	0A0	2-methyl-l-aspartic acid
COc1ccc(cc1)C[C@@H](C(=O)O)N	0A1	o-methyl-l-tyrosine
[B-]([C@H](CCCCN)N)(O)(OCC)OCC	0A2	[(1r)-1,5-diaminopentyl][bis(ethanolato)]hydroxyborate(1-)
CC1=C(N[C@H](SC1)[C@@H](C(=O)O)NC(=O)/C(=N\OC)/c2csc(n2)N)C(=O)O	0A3	(2r)-2-[(r)-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
C=C1CS[C@@H](N=C1C(=O)O)[C@@H](C(=O)O)NC(=O)Cc2cccs2	0A4	(2r)-2-{(r)-carboxy[(thiophen-2-ylacetyl)amino]methyl}-5-methylidene-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
C(CC(=O)O)CBr	0A5	4-bromobutanoic acid
CCOC(=O)[C@@H](CC(=O)O)O	0A6	(3r)-4-ethoxy-3-hydroxy-4-oxobutanoic acid
c1ccc(c(c1)CC(=O)O)C(=O)O	0A7	2-(carboxymethyl)benzoic acid
C(CCl)NC(=O)SC[C@@H](C(=O)O)N	0A8	s-[(2-chloroethyl)carbamoyl]-l-cysteine
COC(=O)[C@H](Cc1ccccc1)N	0A9	methyl l-phenylalaninate
CC(C)[C@@H](C(=O)OC)N	0AA	methyl l-valinate
C[C@H]1C=COC(=O)[C@H]1N	0AB	(3s,4s)-3-amino-4-methyl-3,4-dihydro-2h-pyran-2-one
c1ccc(cc1)C[C@@H]([C@H](CCC(=O)O)O)N	0AC	(4s,5s)-5-amino-4-hydroxy-6-phenylhexanoic acid
CCCNC1=Nc2c(ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N1	0AD	2'-deoxy-n-propylguanosine 5'-(dihydrogen phosphate)
CC(C)[C@H]1C2(CCC2)C[NH+]1Cc3ccc4c(c3)cccc4NC[C@@]5(CCCN(C5)c6cc(ncn6)NCc7ccccc7)O	0AE	(3~{r})-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-3-[[[6-[[(3~{s})-3-propan-2-yl-2-azoniaspiro[3.3]heptan-2-yl]methyl]naphthalen-1-yl]amino]methyl]piperidin-3-ol
c1cc2c(c[nH]c2c(c1)O)C[C@@H](C(=O)O)N	0AF	7-hydroxy-l-tryptophan
CCOC(=O)N[C@@H](CC(C)C)C(=O)O	0AG	n-(ethoxycarbonyl)-l-leucine
C([C@@H](C(=O)O)N)OC(=O)CBr	0AH	o-(bromoacetyl)-l-serine
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC)C(=O)O)O)O	0AI	methyl 2-(acetylamino)-2-deoxy-alpha-d-galactopyranosiduronic acid
CCS[C@H](C)SC	0AJ	(1r)-1-(ethylsulfanyl)-1-(methylsulfanyl)ethane
C(CCl)OC(=O)C[C@@H](C(=O)O)N	0AK	(2s)-2-amino-4-(2-chloroethoxy)-4-oxobutanoic acid
C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)OP(=O)(O)O)O)O	0AL	4-o-phosphono-d-glycero-beta-d-manno-heptopyranose
CCCSSCCCNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	0AM	2'-deoxy-n-[3-(propyldisulfanyl)propyl]adenosine 5'-(dihydrogen phosphate)
c1ccc(c(c1)/C=C/[C@H]2CN(C(=O)[C@@H]3CCC[C@H]2N3S(=O)(=O)c4cc(cc(c4)Cl)Cl)Cc5ccccn5)Cl	0AN	(1~{s},5~{s},6~{r})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-[(~{e})-2-(2-chlorophenyl)ethenyl]-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
c1ccc2c(c1)cccc2C[C@@H](C=O)N	0AO	(2s)-2-amino-3-naphthalen-1-ylpropanal
C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)OP(=O)(O)O	0AP	2'-deoxycytidine 3',5'-bis(dihydrogen phosphate)
[H]/N=C(/NCCC[C@@H](C(=O)O)N)\NC(=O)C	0AR	n-[n-[(4s)-4-azanyl-5-hydroxy-5-oxo-pentyl]carbamimidoyl]ethanamide
C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H]([C@@]5(C)CO)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O	0AS	asiatic acid
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O	0AT	2-(acetylamino)-2-deoxy-6-o-phosphono-alpha-d-glucopyranose
C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)I	0AU	5-iodouridine 5'-(dihydrogen phosphate)
CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COP(=O)(O)O)O	0AV	2'-o-methyladenosine 5'-(dihydrogen phosphate)
[H]/N=C(/c1cc(c(s1)CNC(=O)c2ccc3c(c2)CCO3)c4ccccc4)\N	0AW	~{n}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
c1ccc(cc1)CNC(=O)[C@@H]([C@H](C[C@@H]2CCCNC2=O)NC(=O)[C@H](CC3CCCCC3)NC(=O)c4cc5ccccc5o4)O	0AX	n-[(2s)-3-cyclohexyl-1-oxidanylidene-1-[[(2s,3r)-3-oxidanyl-4-oxidanylidene-1-[(3s)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide
B([C@H](CCCCN)N)(OCC)OCC	0AY	diethyl [(1r)-1,5-diaminopentyl]boronate
C1[C@H](CN[C@H]1C(=O)O)O	0AZ	(4r)-4-hydroxy-d-proline
c1ccc(cc1)N[C@@H]2CCCN(C2=O)[C@@H]3CCCN(C3)c4c5cc[nH]c5ncn4	0B0	(3r,3'r)-3-anilino-1'-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)[1,3'-bipiperidin]-2-one
CN1C(=O)C=C(N=C1N)[C@H]2C[C@H]2c3cccc(c3)c4cccc(c4)OC	0B1	2-amino-6-[(1s,2r)-2-(3'-methoxybiphenyl-3-yl)cyclopropyl]-3-methylpyrimidin-4(3h)-one
C[C@H](CO)C(=O)[C@H](CC1CCCCC1)N	0B2	(2s,4r)-2-amino-1-cyclohexyl-5-hydroxy-4-methylpentan-3-one
C[C@]1(CC(=O)N(C(=N1)N)C)CCc2ccccc2	0B3	(6r)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-5,6-dihydropyrimidin-4(3h)-one
C[C@]1(CC(=O)N(C(=N1)N)C)[C@@H]2C[C@H]2c3ccccc3	0B4	(6s)-2-amino-3,6-dimethyl-6-[(1r,2r)-2-phenylcyclopropyl]-5,6-dihydropyrimidin-4(3h)-one
C[C@]1([C@H]([C@H](OC(=N1)N)C(C)(F)F)F)c2cc(ccc2F)NC(=O)c3cnc(cn3)OCF	0B5	~{n}-[3-[(4~{r},5~{r},6~{s})-2-azanyl-6-[1,1-bis(fluoranyl)ethyl]-5-fluoranyl-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide
C[C@]1(C=C(OC(=N1)N)CF)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N	0B6	~{n}-[3-[(4~{s})-2-azanyl-6-(fluoranylmethyl)-4-methyl-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide
[H]/N=C(/c1cc(c(s1)CNC(=O)c2ccc3cc[nH]c3c2)c4ccccc4)\N	0B7	~{n}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-1~{h}-indole-6-carboxamide
Cc1c(ccc2c1C(=O)N(C(=O)N2C)CC(=O)OCCOc3ccc4ccc5cccc6c5c4c3cc6)C(=O)C7=C(CCCC7=O)O	0B8	2-pyren-1-yloxyethyl 2-[1,5-dimethyl-2,4-bis(oxidanylidene)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazolin-3-yl]ethanoate
c1c[nH]c2c1c(ncn2)N3CCC[C@H](C3)NC(=O)[C@@H](C4CC4)Nc5cc(cc(c5)Cl)F	0B9	(2r)-2-(3-chloro-5-fluoroanilino)-2-cyclopropyl-n-[(3r)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide
CC(C)[C@H]1C2(CCC2)CN1Cc3ccc(c(c3)O)C(=O)NC[C@@]4(CCCN(C4)c5c6cc[nH]c6ncn5)O	0BA	2-oxidanyl-n-[[(3r)-3-oxidanyl-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methyl]-4-[[(3s)-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamide
Cc1cccc2c1c(cs2)CN3c4ccccc4N(C3=O)CCCC(=O)O	0BB	4-{3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl}butanoic acid
CCOc1ccc(cc1NC(=O)c2cc(cc(c2)c3n[nH]nn3)c4cscn4)C(=O)C	0BC	~{n}-(5-ethanoyl-2-ethoxy-phenyl)-3-(2~{h}-1,2,3,4-tetrazol-5-yl)-5-(1,3-thiazol-4-yl)benzamide
CC(C)CC(CC(C)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@H]([C@H]([C@@H]([C@@H](O2)CO)O)O)O)O)O	0BD	3-methyl-1-(2-methylpropyl)butyl 4-o-beta-l-gulopyranosyl-beta-d-glucopyranoside
[Be+2]	0BE	beryllium
c1ccc2c(c1)cccc2c3ccc(o3)CN4C(=O)CSC45CCN(CC5)C(=O)CCl	0BF	8-(2-chloranylethanoyl)-4-[(5-naphthalen-1-ylfuran-2-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one
CN(CCNC(=O)CNc1ccccc1)c2c3cc[nH]c3ncn2	0BG	n-{2-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl}-n~2~-phenylglycinamide
CC(C)[C@H]1C2(CCC2)CN1Cc3ccc(c(c3)O)C(=O)NC[C@@]4(CCCN(C4)c5cc(ncn5)NCc6cccc7c6ccs7)O	0BH	n-[[(3r)-1-[6-(1-benzothiophen-4-ylmethylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-4-[[(3s)-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamide
CC(C)c1cccc(c1)C2(CC2)NC[C@H]([C@@H]3Cc4cccc(c4)OCCCCNc5cc(cc(c5)C(=O)N3)COC)O	0BI	(4s)-4-[(1r)-1-hydroxy-2-({1-[3-(1-methylethyl)phenyl]cyclopropyl}amino)ethyl]-19-(methoxymethyl)-11-oxa-3,16-diazatric yclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
Cc1cc(c(c(c1)O)C(=O)c2c(cccc2O)O)C(=O)OC	0BJ	methyl 2-[2,6-bis(oxidanyl)phenyl]carbonyl-5-methyl-3-oxidanyl-benzoate
C[C@]1(CC[C@@](N=C1N)(CF)c2cc(ccc2F)NC(=O)c3cc(ncn3)OC)S(=O)(=O)C	0BK	n-{3-[(2s,5r)-6-amino-2-(fluoromethyl)-5-(methanesulfonyl)-5-methyl-2,3,4,5-tetrahydropyridin-2-yl]-4-fluorophenyl}-6-methoxypyrimidine-4-carboxamide
[H]/N=C(/c1cc(c(s1)CNC(=O)[C@@H]2[C@H](c3ccccc3O2)C)c4ccccc4)\N	0BL	(2~{s},3~{s})-~{n}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
[H]/N=C(\N)/N1CCC(CC1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)C	0BM	n-(methylsulfonyl)-d-phenylalanyl-n-[(1-carbamimidoylpiperidin-4-yl)methyl]-l-prolinamide
[H]/N=C(\c1ccc(cc1)C[C@@H](C(=O)O)N)/N	0BN	4-carbamimidoyl-l-phenylalanine
c1ccc2c(c1)cc(o2)C(=O)N[C@@H](CC3CCCCC3)C(=O)N[C@@H](C[C@@H]4CCCNC4=O)[C@H](C(=O)NC5CC5)O	0BO	n-[(2s)-3-cyclohexyl-1-[[(2s,3r)-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3s)-2-oxidanylidenepiperidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-benzofuran-2-carboxamide
c1ccnc(c1)c2ccccn2	0BP	2,2'-bipyridine
c1ccc2c(c1)[nH]c(n2)C3=NNC(=O)N3	0BQ	5-(1h-benzimidazol-2-yl)-2,4-dihydro-3h-1,2,4-triazol-3-one
CC[C@H]1C[N@]2CC[C@@H]1C[C@H]2[C@@H](c3ccnc4c3cc(cc4)OC)O	0BR	(4beta,8alpha,9r)-6'-methoxy-10,11-dihydrocinchonan-9-ol
[H]/N=C(/c1cc(c(s1)CNC(=O)Cc2ccc3c(c2)OCO3)c4ccccc4)\N	0BS	2-(1,3-benzodioxol-5-yl)-~{n}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]ethanamide
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]3[C@H](O2)CO[C@@](O3)(c4ccc(cc4)I)P(=O)(O)O	0BT	1-{2-deoxy-3,5-o-[(4-iodophenyl)(phosphono)methylidene]-beta-d-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1h,3h)-dione
c1cc(cc(c1)NC(=O)Nc2cccc(c2)C(=O)Nc3ccc(c4c3c(cc(c4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O	0BU	8-({3-[({3-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl}carbamoyl)amino]benzoyl}amino)naphthalene-1,3,5-trisulfonic  acid
c1ccc2c(c1)cc(c3c2cccc3)CC=O	0BV	phenanthren-9-ylacetaldehyde
CN1CCN(CC1)c2ccc(cc2NC(=O)c3cccc(c3)OC)C(=O)OC	0BW	methyl 3-[(3-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate
c1ccc(cc1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O	0BX	4-{[4-(phenylamino)pyrimidin-2-yl]amino}benzoic acid
c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O)Cl	0BY	4-({4-[(2-chlorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid
c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O)F	0BZ	4-({4-[(2-fluorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid
C1=CN(C(=O)N=C1N)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)(O)O)O)O	0C	l-cytidine-5'-monophosphate
c1ccc(cc1)c2ccccc2Nc3ccnc(n3)Nc4ccc(cc4)C(=O)O	0C0	4-{[4-(biphenyl-2-ylamino)pyrimidin-2-yl]amino}benzoic acid
CS(=O)(=O)NC(=O)c1c(c2c(n1Cc3cc(ccc3F)F)ccc4c2OCC4)C5=CC=CNC5=O	0C1	6-(2,5-difluorobenzyl)-n-(methylsulfonyl)-8-(2-oxo-1,2-dihydropyridin-3-yl)-3,6-dihydro-2h-furo[2,3-e]indole-7-carboxamide
C[C@@H]1COc2c1ccc3c2c(c(n3Cc4cc(ccc4F)F)C(=O)NS(=O)(=O)C)C5=CC=CNC5=O	0C2	(3s)-6-(2,5-difluorobenzyl)-3-methyl-n-(methylsulfonyl)-8-(2-oxo-1,2-dihydropyridin-3-yl)-3,6-dihydro-2h-furo[2,3-e]indole-7-carboxamide
c1ccc(c(c1)C(F)(F)F)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O	0C3	4-[(4-{[2-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]benzoic acid
c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O)Br	0C4	4-({4-[(2-bromophenyl)amino]pyrimidin-2-yl}amino)benzoic acid
c1ccc(c(c1)C#N)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O	0C5	4-({4-[(2-cyanophenyl)amino]pyrimidin-2-yl}amino)benzoic acid
c1ccc(c(c1)Nc2c(cnc(n2)Nc3ccc(cc3)C(=O)O)F)Cl	0C6	4-({4-[(2-chlorophenyl)amino]-5-fluoropyrimidin-2-yl}amino)benzoic acid
c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)c4[nH]nnn4)Cl	0C7	n~4~-(2-chlorophenyl)-n~2~-[4-(1h-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine
c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O)OC(F)(F)F	0C8	4-[(4-{[2-(trifluoromethoxy)phenyl]amino}pyrimidin-2-yl)amino]benzoic acid
c1ccc(c(c1)C(=O)O)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O	0C9	2-({2-[(4-carboxyphenyl)amino]pyrimidin-4-yl}amino)benzoic acid
[H]/N=C(\c1ccc2ccc(cc2c1)Cn3c4cc(cc(c4cc3C(C)C)C(=O)O)OC5CCN(CC5)C(=N)C)/N	0CA	1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-({1-[(1z)-ethanimidoyl]piperidin-4-yl}oxy)-2-(propan-2-yl)-1h-indole-4-carboxylic acid
[H]/N=C(\C)/N1CCC(CC1)Oc2ccc(cc2)N(Cc3ccc4ccc(cc4c3)/C(=N\[H])/N)S(=O)(=O)CC(=O)O	0CB	{[(7-carbamimidoylnaphthalen-2-yl)methyl][4-({1-[(1e)-ethanimidoyl]piperidin-4-yl}oxy)phenyl]sulfamoyl}acetic acid
C[C@@]12C[C@H]3[C@]4(C=CC(=O)C([C@@H]4CC[C@@]35[C@@]16COC(=O)C6=C[C@](C5)(C2=O)C)(C)C)C	0CC	andiconin d
CC(C)n1c2ccc(cc2c3c1c4c(c5c3C=NC5=O)-c6cn(nc6CC4)C)[C@@H]7CCCCO7	0CE	2-methyl-11-(1-methylethyl)-8-[(2s)-tetrahydro-2h-pyran-2-yl]-2,11,12,13-tetrahydro-4h-indazolo[5,4-a]pyrrolo[3,4-c]carbazol-4-one
C#CCOP(=O)(O)OP(=O)(O)O	0CG	prop-2-yn-1-yl trihydrogen diphosphate
C(CCOP(=O)(O)OP(=O)(O)O)CO	0CH	4-hydroxybutyl trihydrogen diphosphate
CCC(=O)N1CC[C@@H](C1)Oc2c3ccccc3cc(n2)C4=NNC(=O)N4	0CI	5-(1-{[(3s)-1-propanoylpyrrolidin-3-yl]oxy}isoquinolin-3-yl)-2,4-dihydro-3h-1,2,4-triazol-3-one
CC(=O)CCCOP(=O)(O)OP(=O)(O)O	0CJ	4-oxopentyl trihydrogen diphosphate
c1cc(ccc1c2c(n(cn2)C3CCCCC3)c4ccnc(n4)N)F	0CK	4-[1-cyclohexyl-4-(4-fluorophenyl)-1h-imidazol-5-yl]pyrimidin-2-amine
C(CCl)CCl	0CL	1,3-dichloropropane
CC#CCOP(=O)(O)OP(=O)(O)O	0CM	but-2-yn-1-yl trihydrogen diphosphate
C=C=CCOP(=O)(O)OP(=O)(O)O	0CN	buta-2,3-dien-1-yl trihydrogen diphosphate
C[C@]12CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CC[C@@H]2[C@@]4(C[C@H](CO4)CC(C)(C)O)C	0CO	(1s,3r,5z,7e,14beta,17alpha,23r)-23-(2-hydroxy-2-methylpropyl)-20,24-epoxy-9,10-secochola-5,7,10-triene-1,3-diol
COc1ccc(cc1O[C@H]2C[C@@H]3CC[C@H]2C3)C4CNC(=O)NC4	0CP	5-{3-[(1s,2s,4r)-bicyclo[2.2.1]hept-2-yloxy]-4-methoxyphenyl}tetrahydropyrimidin-2(1h)-one
COc1cc2c3cc1OCCOc4cc5c(cc4OCc6cn(nn6)CCc7ccc(cc7)S(=O)(=O)N)Cc8cc9c(cc8Cc1cc(c(cc1C5)OCc1cn(nn1)CCC(=O)O)OCCOc1cc(c(cc1OC)Cc1cc(c(cc1C3)OC)OCCO9)C2)OCc1cn(nn1)CCC(=O)O	0CR	momo-2-[4-(2-(4-(methoxy)-1h-1,2,3-triazol-1-yl)ethyl)benzenesulfonamide]-7,12-bis-[3-(4-(methoxy)-1h-1,2,3-triazol-1-y l)propanoic acid]-cryptophane-a
C([C@@H](C(=O)O)N)[S@@](=O)OO	0CS	3-[(s)-hydroperoxysulfinyl]-l-alanine
c1ccc2c(c1)[nH]nn2	0CT	1h-benzotriazole
c1c(cc(c2c1nn[nH]2)Cl)Cl	0CU	5,7-dichloro-1h-benzotriazole
Cc1cc(cc2c1nc3c(c2N4CCNCC4)c(n[nH]3)C)OC	0CV	6-methoxy-3,8-dimethyl-4-(piperazin-1-yl)-1h-pyrazolo[3,4-b]quinoline
CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C=C[C@H]3[C@@H]2CC(=O)O1)O)C)O	0CX	(2r,3as,5ar,5bs,9s,13s,14r,16as,16br)-9-ethyl-2,13-dihydroxy-14-methyl-2,3,3a,5a,5b,6,9,10,11,12,13,14,16a,16b-tetradecahydro-1h-as-indaceno[3,2-d]oxacyclododecine-7,15-dione
c1cc(ccc1C(c2ccc(cc2)O)(C(F)(F)F)C(F)(F)F)O	0CZ	4,4'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)diphenol
c1cc(ccc1C(=C(Cl)Cl)c2ccc(cc2)O)O	0D1	4,4'-(2,2-dichloroethene-1,1-diyl)diphenol
c1ccc(cc1)[C@@]2(C(=O)NC(=O)N2)[C@@]3(C(=O)NC(=O)N3)c4ccccc4	0D2	(4r,4's)-4,4'-diphenyl-4,4'-biimidazolidine-2,2',5,5'-tetrone
	0D3	n-[(2s)-2-benzyl-3-sulfanylpropanoyl]-l-alanylglycinamide
CC(C)C[C@@H](C(=O)N[C@@H](CCc1ccccc1)CCS(=O)(=O)c2ccccc2)NC(=O)N3CCNCC3	0D6	n-{(1r)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}-n~2~-(piperazin-1-ylcarbonyl)-l-leucinamide
C(CN)CO	0D8	3-aminopropan-1-ol
c1nc(c2c(n1)n(cn2)[C@@H]3C[C@H]([C@@H](O3)COP(=O)(O)O)O)N	0DA	2'-deoxy-l-ribo-furanosyl adenosine-5'-monophosphate
	0DB	n-({1-[(2s)-2-carboxy-4-phenylbutyl]cyclopentyl}carbonyl)-l-tryptophan
C1[C@H]([C@@H](O[C@@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O	0DC	2'-deoxy-l-ribo-furanosyl cytosine-5'-monophosphate
CN1c2cc(cnc2NC1=O)c3ccccc3	0DF	1-methyl-6-phenyl-1,3-dihydro-2h-imidazo[4,5-b]pyridin-2-one
c1nc2c(n1[C@@H]3C[C@H]([C@@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N	0DG	2'-deoxy-l-ribo-furanosyl guanine-5'-monophosphate
c1cc(cc(c1)Cl)C[C@H](C(=O)N2CCN(CC2)C(=O)c3cc(ccc3F)F)N	0DI	(2r)-2-amino-3-(3-chlorophenyl)-1-[4-(2,5-difluorobenzoyl)piperazin-1-yl]propan-1-one
CN1c2cc(cnc2NC1=O)c3cccc(c3)C(=O)N	0DJ	3-(1-methyl-2-oxo-2,3-dihydro-1h-imidazo[4,5-b]pyridin-6-yl)benzamide
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CF)O	0DN	5'-deoxy-5'-fluorothymidine
Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C[N@@]3CC[C@H](C[C@H]3C(=O)NC(C)(C)C)S(=O)(=O)c4ccncc4)O)C	0DO	(2r,4s)-n-tert-butyl-1-[(2s,3s)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutyl]-4-(pyridin-4-ylsulfonyl)piperidine-2-carboxamide
c1ccc(cc1)c2c(snn2)N	0DQ	4-phenyl-1,2,3-thiadiazol-5-amine
CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N	0DS	n-{(2r)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-l-leucyl-l-phenylalaninamide
CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)COP(=O)(O)O)O	0DT	2'-deoxy-l-ribo-furanosyl thymidine-5'-monophosphate
CC1=CC(=C(C(=O)N1C)c2ccc(cc2)C[C@@H](C(=O)O)NC(=O)c3c(cccc3Cl)Cl)C(F)(F)F	0DU	n-(2,6-dichlorobenzoyl)-4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-l-phenylalanine
C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@@H]([C@H]([C@H](O4)CO)O)O)O)C(C)C)C)CO	0DV	(4r,5r,6r,6as,9s,9ae,10ar)-5-hydroxy-9-(hydroxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrod icyclopenta[a,d][8]annulen-4-yl alpha-d-gulopyranoside
CN1CCN(CC1)CCCNc2cc3c4c5c2C(=O)N(C(=O)c5cc(c4C(=O)N(C3=O)CCCN6CCOCC6)NCCCN7CCN(CC7)C)CCCN8CCOCC8	0DX	4,9-bis{[3-(4-methylpiperazin-1-yl)propyl]amino}-2,7-bis[3-(morpholin-4-yl)propyl]benzo[lmn][3,8]phenanthroline-1,3,6,8(2h,7h)-tetrone
	0DY	n~1~-(3-aminobenzyl)-n~2~-[(2r)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-l-aspartamide
CC(C)(CO)[C@H]1CC2=C(CO1)c3ccccc3C(=O)N2	0E0	(3r)-3-(1-hydroxy-2-methylpropan-2-yl)-1,3,4,5-tetrahydro-6h-pyrano[4,3-c]isoquinolin-6-one
CC(C)[C@H]1Cc2c(cc(c(n2)O)C#N)CO1	0E1	(7r)-2-hydroxy-7-(propan-2-yl)-7,8-dihydro-5h-pyrano[4,3-b]pyridine-3-carbonitrile
CC[C@](C)([C@@H](C(=O)O)N)O	0E5	(2s,3r)-2-azanyl-3-methyl-3-oxidanyl-pentanoic acid
c1ccc(cc1)COC[C@@H](C(=O)CCl)NC(=O)[C@H](CCCNC(=[NH2+])N)NC(=O)OCc2ccccc2	0E6	amino{[(4s)-4-{[(benzyloxy)carbonyl]amino}-5-{[(2s)-1-(benzyloxy)-4-chloro-3-oxobutan-2-yl]amino}-5-oxopentyl]amino}met haniminium
[H]/N=C(\N)/NCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)OC	0E7	methyl n-(4-carbamimidamidobutanoyl)-l-phenylalanyl-l-allothreonyl-l-phenylalaninate
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](CNC[C@H]([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)O)O	0E8	di-tert-butyl {iminobis[(2s,3s)-3-hydroxy-1-phenylbutane-4,2-diyl]}biscarbamate
	0E9	benzyl [(1r,4s,6s,9r)-4,6-dibenzyl-5-hydroxy-1,9-bis(1-methylethyl)-2,8,11-trioxo-13-phenyl-12-oxa-3,7,10-triazatridec-1-yl]carbamate
CN[C@@H]([C@@H](c1ccc(c(c1)O)O)O)C(=O)O	0EA	(betar)-beta,3-dihydroxy-n-methyl-l-tyrosine
COc1cc2c(cc1OC)nc(nc2N)N3CCNCC3	0EC	6,7-dimethoxy-2-(piperazin-1-yl)quinazolin-4-amine
	0ED	n-[(1s)-3-{[(benzyloxy)carbonyl]amino}-1-carboxypropyl]-l-leucyl-n-(2-morpholin-4-ylethyl)-l-phenylalaninamide
C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)NC(=O)O)NC(=O)OC(C)(C)C	0EF	n-(tert-butoxycarbonyl)-l-alanyl-n-[(1r)-1-(carboxyamino)-2-phenylethyl]-l-prolinamide
	0EG	n-(tert-butoxycarbonyl)-l-alanyl-n-[(1r)-1-(dihydroxyboranyl)-2-methylpropyl]-l-prolinamide
CCCCCCC[C@](C)(C(=O)O)N	0EH	(2r)-2-amino-2-methylnonanoic acid
Cn1c(c(nc1SC)c2ccc(cc2)F)c3ccnc(c3)Nc4ccc/5c(c4)CCc6cc(ccc6/N=N5)NC(=O)CCCN(C)C	0EI	4-(dimethylamino)-n-[(5z)-9-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanyl-imidazol-4-yl]pyridin-2-yl]amino]-11,12-dihydrobenzo[c][1,2]benzodiazocin-2-yl]butanamide
C(C(=O)OC1[C@@H]([C@H](C([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)P(=O)(O)O	0EJ	(2-oxo-2-{[(1s,2r,3s,4s,5r,6s)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]oxy}ethyl)phosphonic acid
	0EK	6-ammonio-n-{[(2r,3r)-3-{[n-(tert-butoxycarbonyl)-l-phenylalanyl-3-(1h-imidazol-3-ium-4-yl)-l-alanyl]amino}-4-cyclohexyl-2-hydroxybutyl](2-methylpropyl)carbamoyl}-l-norleucyl-l-phenylalanine
	0EL	6-ammonio-n-[(2r,4r,5r)-5-{[n-(tert-butoxycarbonyl)-l-phenylalanyl-3-(1h-imidazol-3-ium-4-yl)-l-alanyl]amino}-6-cyclohexyl-4-hydroxy-2-(2-methylpropyl)hexanoyl]-l-norleucylphenylalanine
	0EM	n-(tert-butoxycarbonyl)-l-phenylalanyl-n-{(1s)-1-[(r)-hydroxy(2-{[(2s)-2-methylbutyl]amino}-2-oxoethyl)phosphoryl]-3-methylbutyl}-3-(1h-imidazol-3-ium-4-yl)-l-alaninamide
CC(C)(C)c1ccc(cc1)N([C@H](c2cccnc2)C(=O)NC(C)(C)C)C(=O)c3ccco3	0EN	n-[(1r)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-n-(4-tert-butylphenyl)furan-2-carboxamide
CC(C)C[C@@H](C(=O)O)NC(=O)C[C@@H]([C@H](CC1CCCCC1)NC(=O)CC[C@@H]([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)O)O	0EO	(2s)-2-[[(3s,4s)-5-cyclohexyl-4-[[(4s,5s)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanyl-6-phenyl-hexanoyl]amino] -3-oxidanyl-pentanoyl]amino]-4-methyl-pentanoic acid
Cc1cc(c(c(c1O)C(=O)OC)C(=O)c2c(cccc2O)O)O	0ER	methyl 2-[2,6-bis(oxidanyl)phenyl]carbonyl-5-methyl-3,6-bis(oxidanyl)benzoate
CCCCCCCCC[C@H](CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O	0ET	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3r)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-[(2r)-2-oxidanylundecyl]sulfanylethylamino]propyl]amino]butyl] hydrogen phosphate
CCNC(=O)Nc1c(c2ccccc2s1)C(=O)N3CCC(CC3)[N@]4CCC[C@@]5(C4)CC(OC5=O)(C)C	0EU	1-[3-({4-[(5s)-3,3-dimethyl-1-oxo-2-oxa-7-azaspiro[4.5]dec-7-yl]piperidin-1-yl}carbonyl)-1-benzothiophen-2-yl]-3-ethylurea
c1ccc(cc1)CCNc2[nH]c3c(n2)cc4c(c3CCNCC5CCCCC5)N=CNC4=O	0EV	4-{2-[(cyclohexylmethyl)amino]ethyl}-2-[(2-phenylethyl)amino]-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
CCS(=O)(=O)[C@@]1(CC[C@@](N=C1N)(CF)c2cc(ccc2F)NC(=O)c3cc4c(cn3)OC(O4)(F)F)C	0EW	n-{3-[(2s,5r)-6-amino-5-(ethanesulfonyl)-2-(fluoromethyl)-5-methyl-2,3,4,5-tetrahydropyridin-2-yl]-4-fluorophenyl}-2,2-difluoro-2h-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide
c1ccc(cc1)CCNc2[nH]c3cc4c(c(c3n2)CCNCc5ccccc5)N=C(NC4=O)N	0EX	6-amino-4-[2-(benzylamino)ethyl]-2-[(2-phenylethyl)amino]-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
c1c(nnn1[C@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O)CN3C=CC(=O)NC3=O	0EY	1-{[1-(alpha-l-arabinofuranosyl)-1h-1,2,3-triazol-4-yl]methyl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidine
CC[C@H](C)[C@H]1C(=O)NCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC[C@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O	0EZ	tert-butyl [(1s,2s)-1-benzyl-2-hydroxy-3-{[(8s,11r)-8-[(1r)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino}propyl]carbamate
CN(C)CCCC(=O)Nc1cccc(c1)C(=O)Nc2ccc(cc2)Nc3nccc(n3)c4cccnc4	0F0	3-{[4-(dimethylamino)butanoyl]amino}-n-(4-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide
c1cc2c(cc1Cl)sc(c2Cl)C(=O)O	0F1	3,6-dichloro-1-benzothiophene-2-carboxylic acid
CCC(CC)(c1cc2c(cc([nH]2)c3c4c(ccs4)[nH]n3)c(c1)OCCN5CCOCC5)O	0F2	3-[4-(2-morpholin-4-ylethoxy)-2-(1~{h}-thieno[3,2-c]pyrazol-3-yl)-1~{h}-indol-6-yl]pentan-3-ol
c1cc(ccc1NS(=O)(=O)N)S(=O)(=O)N	0F3	4-(sulfamoylamino)benzenesulfonamide
c1cc(cc(c1)NC(=O)Nc2cccc(c2)Nc3ccc\4c(c3)NC(=O)/C4=C\c5ccc[nH]5)C(F)(F)F	0F4	1-(3-{[(3z)-2-oxo-3-(1h-pyrrol-2-ylmethylidene)-2,3-dihydro-1h-indol-6-yl]amino}phenyl)-3-[3-(trifluoromethyl)phenyl]urea
c1cc(cc(c1)c2cncc(n2)NC3CCC(CC3)N)/C=C\4/C(=O)NC(=O)S4	0F5	(5~{z})-5-[[3-[6-[(4-azanylcyclohexyl)amino]pyrazin-2-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
	0F7	n-[(benzyloxy)carbonyl]-l-isoleucyl-n-[(1r)-1-(carboxycarbonyl)-3,3-difluoropropyl]-l-leucinamide
c1cc(c(cc1Cl)c2cc[nH]n2)O	0F9	4-chloro-2-(1h-pyrazol-3-yl)phenol
CC(C)C[C@@H](C(=O)N)NP(=O)(O)O	0FA	n~2~-phosphono-l-leucinamide
CC(C)C[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc2ccc(cc2)F)N	0FG	d-leucyl-n-(4-fluorobenzyl)-l-phenylalaninamide
c1ccc(cc1)NC=S	0FI	n-phenylthioformamide
c1cc2ccc(nc2c(c1)O)C(=O)N	0FK	8-hydroxyquinoline-2-carboxamide
C([C@@H](C(=O)O)NC=O)N	0FL	3-amino-n-formyl-l-alanine
c1ccc2c(c1)C(=O)C(C2=O)C#N	0FN	1,3-dioxo-2,3-dihydro-1h-indene-2-carbonitrile
c1cc2c(cc1Br)C(=CC(=O)O2)O	0FO	6-bromo-4-hydroxy-2h-chromen-2-one
CC[C@H](c1ccccc1)NC(=O)[C@H]([C@H](C)NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)CCCCCN)O	0FP	n-(6-aminohexanoyl)-3-methyl-l-valyl-3-methyl-l-valyl-n~1~-[(2s,3s)-3-hydroxy-4-oxo-4-{[(1r)-1-phenylpropyl]amino}butan-2-yl]-n~4~,n~4~-dimethyl-l-aspartamide
CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccccc4)O	0FQ	phenacyl coenzyme a
c1ccc2c(c1)c(c[nH]2)C(=O)c3ccco3	0FR	furan-2-yl(1h-indol-3-yl)methanone
c1cc(cc(c1)C(F)(F)F)/C=C\2/C(=O)NC(=O)S2	0FS	(5z)-5-[3-(trifluoromethyl)benzylidene]-1,3-thiazolidine-2,4-dione
CC1=CN(C(=O)NC1=O)Cc2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H](O3)CO)O)O	0FT	1-{[1-(alpha-l-arabinofuranosyl)-1h-1,2,3-triazol-4-yl]methyl}-5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine
c1(c(nc(nc1O)N)N)N	0FU	2,5,6-triaminopyrimidin-4-ol
CC(=CCC/C(=C(/COP(=O)(O)OP(=O)(O)O)\F)/C)C	0FV	(2z)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate
c1ccc(cc1)c2ccc(cc2)C(=O)Nc3cccc(c3)Oc4ccc(c(c4)C(=O)O)C(=O)O	0FW	4-{3-[(biphenyl-4-ylcarbonyl)amino]phenoxy}benzene-1,2-dicarboxylic acid
C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)N	0FX	dtdp-4-amino-4,6-dideoxyglucose
Cc1cn2c(c[nH+]c2c(n1)Nc3cc(ns3)C[NH+]4CCC[C@H](C4)C)c5cnn(c5)CC(=O)Nc6cc[nH+]cc6F	0FY	3-(1-{2-[(3-fluoropyridinium-4-yl)amino]-2-oxoethyl}-1h-pyrazol-4-yl)-6-methyl-8-[(3-{[(1r,3r)-3-methylpiperidinium-1-yl]methyl}-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-1-ium
COc1ccc2c(c1)CCN=C2c3ccc(cc3)S(=O)(=O)N	0FZ	4-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide
c1nc2c(n1[C@@H]3[C@H]([C@H]([C@@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N	0G	l-guanosine-5'-monophosphate
c1c(nnn1[C@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O)CN3C=C(C(=O)NC3=O)F	0G0	1-{[1-(alpha-l-arabinofuranosyl)-1h-1,2,3-triazol-4-yl]methyl}-5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidine
CCC(CC)(c1ccc2c(c1)[nH]c(c2c3ccc(cc3)OC)c4c5c(ccs5)[nH]n4)O	0G1	3-[3-(4-methoxyphenyl)-2-(1h-thieno[3,2-c]pyrazol-3-yl)-1h-indol-6-yl]pentan-3-ol
CCC(CC)(c1ccc2cc([nH]c2c1)c3c4c(cc(s4)c5ccccc5)n[nH]3)O	0G2	3-[2-(5-phenyl-2h-thieno[3,2-c]pyrazol-3-yl)-1h-indol-6-yl]pentan-3-ol
CCC(=O)Nc1cccc(c1)C(=O)Nc2ccc(cc2)Nc3cc(ccn3)c4c(nc(n4C)SC)c5ccc(cc5)F	0G3	n-[4-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanyl-imidazol-4-yl]pyridin-2-yl]amino]phenyl]-3-(propanoylamino)benzamide
C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)N2C=C(C(=NC2=O)N)F	0G4	[[[[(2r,5s)-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy -oxidanyl-phosphoryl]amino]phosphonic acid
c1cc(cc(c1)I)C(=O)NCCC[C@@H](C(=O)O)N	0G5	n~5~-(3-iodobenzoyl)-l-ornithine
c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=[NH2+])N)[C@@H](CCl)O)N	0G6	d-phenylalanyl-n-[(2s,3s)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-l-prolinamide
[H]/N=C(\N)/NCCC[C@@H](C(=O)CCl)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)N	0G7	d-phenylalanyl-n-[(3s)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-l-prolinamide
C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N	0G8	[(2r,5s)-5-(4-amino-2-oxopyrimidin-1(2h)-yl)-1,3-oxathiolan-2-yl]methyl trihydrogen diphosphate
C/C=C(/C(=O)O)\Oc1cccc(c1O)C(=O)O	0GA	3-{[(1z)-1-carboxyprop-1-en-1-yl]oxy}-2-hydroxybenzoic acid
Cc1cc(nc(c1)N)c2ccc(cc2)CNCCc3cccc(c3)F	0GD	6-[4-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]-4-methylpyridin-2-amine
[H]/N=C(\\N)/NCCCC(C(CCl)O)NC(=O)CNC(=O)C(CCC(=O)O)NS(=O)(=O)c1cccc2c1cccc2N(C)C	0GE	n-{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-l-alpha-glutamyl-n-[(2s,3s)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]glycinamide
Cc1cc(ccc1Br)C(=O)O	0GF	4-bromo-3-methylbenzoic acid
COc1cc(ccc1O)CC(=O)NC[C@H](C(=O)O)N	0GG	3-{[(4-hydroxy-3-methoxyphenyl)acetyl]amino}-d-alanine
C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)CN[C@@H]([C@@H](C)O)C(=O)NCC(C)C	0GH	n-[(2s)-1-({(2s,3r)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-n'-[(1r)-1-phenylethyl]benzene-1,3-dicarboxamide
CC(C)Cc1cc2c(c([nH]c2c(c1)[N+](=O)[O-])C(=O)O)CCC(=O)O	0GI	3-(3-hydroxy-3-oxopropyl)-5-(2-methylpropyl)-7-nitro-1h-indole-2-carboxylic acid
C(C[C@@H]([C@@H](CCl)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)N)CNC(=[NH2+])N	0GJ	l-alpha-glutamyl-n-{(1s)-4-{[amino(iminio)methyl]amino}-1-[(1s)-2-chloro-1-hydroxyethyl]butyl}glycinamide
CC(C)C[C@H]1[C@H](CC(=O)N[C@H](C(=O)NCc2cccc(c2)CNC(=O)CC[C@@H](C(=O)N1)NC(=O)C(Cc3cccc4c3cccc4)Cc5cccc6c5cccc6)CC(C)C)O	0GM	n-[(5s,9s,10s,13s)-9-hydroxy-5,10-bis(2-methylpropyl)-4,7,12,16-tetraoxo-3,6,11,17-tetraazabicyclo[17.3.1]tricosa-1(23),19,21-trien-13-yl]-3-(naphthalen-1-yl)-2-(naphthalen-1-ylmethyl)propanamide
CCCN1CCC[C@@]12CCN(C2=O)[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)C(C)C)O	0GO	(2s)-n-[(2s,3r)-3-hydroxy-1-phenyl-4-{[3-(propan-2-yl)benzyl]amino}butan-2-yl]-2-[(5s)-6-oxo-1-propyl-1,7-diazaspiro[4.4]non-7-yl]propanamide
CC[C@H](C)[C@@H](C(=O)NCc1cnc(nc1N)C)NC(=O)C[C@@H]([C@H](CC2CCCCC2)NC(=O)CCNC(=O)[C@H](Cc3ccccc3)NC(=O)N4CCC(CC4)N)O	0GQ	4-amino-n-{(1r,8r,9r,13r)-16-(4-amino-2-methylpyrimidin-5-yl)-1-benzyl-8-(cyclohexylmethyl)-9-hydroxy-13-[(1s)-1-methylpropyl]-2,6,11,14-tetraoxo-3,7,12,15-tetraazahexadec-1-yl}piperidine-1-carboxamide
CC(C)C[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)c3ccco3	0GR	n-(furan-2-ylcarbonyl)-l-leucyl-l-tryptophan
CC(c1cccc(c1)CN[C@H]2CS(=O)(=O)C[C@H]([C@@H]2O)Cc3cc(c(c(c3)Br)N)F)(F)F	0GS	(3s,4s,5r)-3-(4-amino-3-bromo-5-fluorobenzyl)-5-{[3-(1,1-difluoroethyl)benzyl]amino}tetrahydro-2h-thiopyran-4-ol 1,1-dioxide
CC(C)(C)c1cccc(c1)CN[C@H]2CS(=O)(=O)C[C@H]([C@@H]2O)Cc3ccc4c(c3)c(c[nH]4)CC(F)F	0GT	(3r,4s,5s)-3-[(3-tert-butylbenzyl)amino]-5-{[3-(2,2-difluoroethyl)-1h-indol-5-yl]methyl}tetrahydro-2h-thiopyran-4-ol 1,1-dioxide
CC(C)(C)c1cccc(c1)CN[C@H]2CS(=O)(=O)C[C@H]([C@@H]2O)Cc3cc4c(c(c3)F)NCC45CCC(CC5)(F)F	0GU	(3r,4s,5s)-3-[(3-tert-butylbenzyl)amino]-5-[(4,4,7'-trifluoro-1',2'-dihydrospiro[cyclohexane-1,3'-indol]-5'-yl)methyl]tetrahydro-2h-thiopyran-4-ol 1,1-dioxide
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@@H](C4)O)C)C	0GV	(3beta,8alpha,9beta)-3-hydroxycholest-5-en-7-one
CCOc1c2ccccc2cc(n1)C3=NNC(=O)N3	0GW	5-(1-ethoxyisoquinolin-3-yl)-2,4-dihydro-3h-1,2,4-triazol-3-one
CCCOc1c(c(c(s1)C(=O)N2[C@@H]3CC[C@H]2CC(C3)c4cc(ccc4F)CN)C)Br	0GX	{(3-exo)-3-[5-(aminomethyl)-2-fluorophenyl]-8-azabicyclo[3.2.1]oct-8-yl}(4-bromo-3-methyl-5-propoxythiophen-2-yl)methanone
C(=C(\C=C(\C(=O)O)/O)/C(=O)O)\C(=O)O	0GY	(1e,3z)-4-hydroxybuta-1,3-diene-1,2,4-tricarboxylic acid
C1=C(C=C(OC1=O)C(=O)O)C(=O)O	0GZ	2-oxo-2h-pyran-4,6-dicarboxylic acid
CCCCO[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O	0H0	carbohydrate component from a pentavalent n-acetylneuraminic acid conjugate
CCc1cc2c(c([nH]c2c(c1)[N+](=O)[O-])C(=O)O)CCC(=O)NS(=O)(=O)c3cccs3	0H1	5-ethyl-7-nitro-3-[3-oxidanylidene-3-(thiophen-2-ylsulfonylamino)propyl]-1h-indole-2-carboxylic acid
c1c2c(cc3c1C4=[N]([Ru]356([S]7CC[S]5CC[S]6CC7)N=C=S)C=CC=C4)C(=O)NC2=O	0H2	[1,3-dioxo-6-(pyridin-2-yl-kappan)-2,3-dihydro-1h-isoindol-5-yl-kappac~5~][(thioxomethylidene)azanido-kappan](1,4,7-trithionane-kappa~3~s~1~,s~4~,s~7~)ruthenium
CCCOCCN1c2cc(ncc2C(=NC1=O)NCCOC(C)C)c3ccc(nc3)OC	0H3	7-(6-methoxypyridin-3-yl)-4-{[2-(propan-2-yloxy)ethyl]amino}-1-(2-propoxyethyl)pyrido[4,3-d]pyrimidin-2(1h)-one
Cc1ccc(nc1)NC(=O)[C@H](CC2CCCC2)N3C=CC(=CC3=O)C(F)(F)F	0H4	(2s)-3-cyclopentyl-n-(5-methylpyridin-2-yl)-2-[2-oxo-4-(trifluoromethyl)pyridin-1(2h)-yl]propanamide
Cn1ccc(n1)Nc2c3cc(ccc3ncn2)OC	0H5	6-methoxy-n-(1-methyl-1h-pyrazol-3-yl)quinazolin-4-amine
c1cc(ncc1C(=O)O)NC(=O)[C@H](CC2CCCC2)n3cc(nc3)C(F)(F)F	0H6	6-({(2s)-3-cyclopentyl-2-[4-(trifluoromethyl)-1h-imidazol-1-yl]propanoyl}amino)pyridine-3-carboxylic acid
c1cc(sc1C(c2ccc(s2)Cl)([C@H]3CN4CCC3CC4)O)Cl	0H7	(3r)-1-azabicyclo[2.2.2]oct-3-yl[bis(5-chlorothiophen-2-yl)]methanol
CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)P(=O)(O)O)NC(=O)CCC(=O)O	0H8	n-(3-carboxypropanoyl)-l-valyl-n-[(1r)-5-amino-1-phosphonopentyl]-l-prolinamide
COc1ccc(cc1)CNCCS(=O)(=O)O	0H9	2-[(4-methoxybenzyl)amino]ethanesulfonic acid
c1ccc(cc1)CCNC(=O)Nc2ccc3c(c2)cn[nH]3	0HD	1-(1h-indazol-5-yl)-3-(2-phenylethyl)urea
c1cc(ccc1CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+])Br	0HG	n-[(4s)-4-ammonio-4-carboxybutanoyl]-s-(4-bromobenzyl)-l-cysteinylglycine
CCCCCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	0HH	l-gamma-glutamyl-s-nonyl-l-cysteinylglycine
CCCCCCCCCCCCCCCCCCCCC[C@@H]([C@H](CCCCCCCCCCCCCCCCC[C@@H]1C[C@H]1CCCCCC)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O	0HJ	6-o-[(2s)-2-{(1s)-18-[(1r,2r)-2-hexylcyclopropyl]-1-hydroxyoctadecyl}tricosanoyl]-alpha-d-glucopyranosyl alpha-d-glucopyranoside
C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(c4cccs4)(c5cccs5)O)C	0HK	(1r,2r,4s,5s,7s)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane
[H]/N=C(\c1cc(cs1)CN2CC[C@H](C2=O)N(Cc3ccsc3)S(=O)(=O)c4ccc5ccc(cc5c4)OC)/N	0HL	4-{[(3r)-3-{[(7-methoxynaphthalen-2-yl)sulfonyl](thiophen-3-ylmethyl)amino}-2-oxopyrrolidin-1-yl]methyl}thiophene-2-carboximidamide
c1ccc(cc1)Cn2ccnc2C[n+]3cccc(c3C(=O)Nc4ccc(cc4)CN)O	0HM	2-{[4-(aminomethyl)phenyl]carbamoyl}-1-[(1-benzyl-1h-imidazol-2-yl)methyl]-3-hydroxypyridinium
c1cc2c(cc1C(=O)O)OCO2	0HN	1,3-benzodioxole-5-carboxylic acid
c1cc2c(cc1C(=O)O)nsn2	0HO	2,1,3-benzothiadiazole-5-carboxylic acid
[H]/N=C(/c1cc(c(s1)CNC(=O)Cc2ccc3cc[nH]c3c2)c4ccccc4)\N	0HP	~{n}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-2-(1~{h}-indol-6-yl)ethanamide
C=[N+]=[N-]	0HQ	diazomethane
CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)OC)NC(=O)[C@H](C(C)C)NC[C@@H]([C@H](CC(C)C)N)O	0HT	methyl n-[(2s,3s)-3-amino-2-hydroxy-5-methylhexyl]-l-valyl-l-isoleucyl-l-phenylalaninate
c1ccc2c(c1)c(ccc2[N+](=O)[O-])Nc3cccc(c3)C(=O)O	0HV	3-[(4-nitronaphthalen-1-yl)amino]benzoic acid
CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@H]2[C@@H](O2)C(=O)OCC	0HW	n-[(3s)-4-ethoxy-3-hydroxy-4-oxobutanoyl]-l-isoleucyl-l-proline
CCC(CC)O[C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)O)NC(=O)C	0HX	pentan-3-yl 2-acetamido-2,4-dideoxy-alpha-l-threo-hex-4-enopyranosiduronic acid
C[C@H](CC(=O)OC)C1=NNC2=C(C1=O)C(=O)NC(=N2)N	0HY	methyl (3r)-3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoate
	0HZ	amino({3-[(3s,8as)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]propyl}amino)methaniminium
Cc1c(ccc2c1C(=O)N(C(=O)N2C)CC(=O)NCCOc3ccc4ccc5cccc6c5c4c3cc6)C(=O)C7=C(CCCC7=O)O	0I0	2-[1,5-dimethyl-2,4-bis(oxidanylidene)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazolin-3-yl]-n-(2-pyren-1-yloxyethyl)ethanamide
c1cc(ccc1c2c(cncn2)N3CCC(CC3)C(=O)N4CC(C4)F)F	0I1	(3-fluoroazetidin-1-yl){1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl}methanone
[H]/N=C(\c1cc(c(s1)CNC(=O)[C@H]2CCCOCC2)c3ccccc3)/N	0I2	(4~{s})-~{n}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]oxepane-4-carboxamide
C[C@]12C[C@@H]3C(=O)OC[C@]34[C@](C1=O)(C[C@@H]5[C@@]4(C2)CC[C@@H]6[C@@]5(C=CC(=O)OC6(C)C)C)C	0I3	andilesin c
CC(C)C[C@@H](C(=O)N[C@@H](CCc1ccccc1)C(=O)CF)NC(=O)N2CCOCC2	0I5	n-[(3s)-1-fluoro-2-oxo-5-phenylpentan-3-yl]-n~2~-(morpholin-4-ylcarbonyl)-l-leucinamide
COc1cc(cc(c1OC)OC)[Te]C[C@@H](C[Se]c2ccc(cc2)S(=O)(=O)N)O	0I6	4-[(2r)-2-oxidanyl-3-(3,4,5-trimethylphenyl)tellanyl-propyl]selanylbenzenesulfonamide
B1(n2c(cc(c2C(c3n1c(cc3C)C)c4ccc(cc4)OCc5cn(nn5)CCN6C(=O)c7c(c(ccc7N(C6=O)C)C(=O)[C@@H]8C(=O)CCC=C8O)C)C)C)(F)F	0I7	3-[2-[4-[[4-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-8-yl]phenoxy]methyl]-1,2,3-triazol-1-yl]ethyl]-1,5-dimethyl-6-[(1s)-2-oxidanyl-6-oxidanylidene-cyclohex-2-en-1-yl]carbonyl-quinazoline-2,4-dione
COc1cc(cc(c1OC)OC)[Te]C[C@H](C[Se]c2ccc(cc2)S(=O)(=O)N)O	0IC	4-[(2s)-2-oxidanyl-3-(3,4,5-trimethoxyphenyl)tellanyl-propyl]selanylbenzenesulfonamide
CC1=C(C(C[C@@H](C1)O)(C)C)CC(=O)/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@H]2C(=C[C@@H](CC2(C)C)O)C)/C)/CO	0IE	siphonaxanthin
c1cc(c(c(c1)F)C#N)N	0IF	2-amino-6-fluorobenzonitrile
CN1c2c(n(cn2)CC(=O)Nc3nc(cs3)c4ccc(cc4)N=[N+]=N)C(=O)N(C1=O)C	0IG	~{n}-[4-[4-[(azanylidene-$l^{4}-azanylidene)amino]phenyl]-1,3-thiazol-2-yl]-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanamide
c1ccc(c(c1)c2ccc3c(c2)C(=O)N(C(=N3)c4ccc(s4)Cl)C[C@@H](Cc5ccc(cc5)Cl)C(=O)O)c6[nH]nnn6	0IH	(2r)-2-[[2-(5-chloranylthiophen-2-yl)-4-oxidanylidene-6-[2-(1h-1,2,3,4-tetrazol-5-yl)phenyl]quinazolin-3-yl]methyl]-3-(4-chlorophenyl)propanoic acid
c1ccc(cc1)n2c(c(cn2)C(=O)O)C(F)(F)F	0IM	1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid
c1cc2ccc(c(c2nc1)O)Cc3cccnc3	0IN	7-(pyridin-3-ylmethyl)quinolin-8-ol
C[C@H]1C(=O)[C@]2([C@H](C(=O)O1)[C@]3(C(=O)C(=C4[C@]([C@@]3(CC2=C)O)(CCC(=O)C4(C)C)C)O)C)C	0IP	terretonin c
c1ccc(cc1)CS(=O)(=O)N[C@H]2CCCN(C2=O)CC(=O)N[C@@H](CCCNC(=[NH2+])N)C=O	0IT	amino({(4s)-4-[({(3s)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}acetyl)amino]-5-oxopentyl}amino)methaniminium
	0IU	(2s)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-n~1~-[(1s,2r,3r)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-n~4~-[2-(d imethylamino)-2-oxoethyl]-n~4~-[(1s)-1-phenylethyl]butanediamide
[H]/N=C(\N)/N1CCC[C@@H](C1)C[C@@H](C=O)NC(=O)CN2CCC[C@@H](C2=O)NS(=O)(=O)Cc3ccccc3	0IV	2-{(3s)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-n-{(2s)-1-[(3r)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide
CN1CCN(CC1)C(=O)NC(Cc2ccccc2)C(=O)NC(CCc3ccccc3)CCS(=O)(=O)c4ccccc4	0IW	nalpha-[(4-methylpiperazin-1-yl)carbonyl]-n-[(3s)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-l-phenylalaninamide
[B-](CCC[C@@H]1[C@H](CN[C@@H]1C(=O)O)NC(=O)[C@H](C(C)C)N)(O)(O)O	0IZ	3-[(2~{s},3~{r},4~{r})-4-[[(2~{s})-2-azanyl-3-methyl-butanoyl]amino]-2-carboxy-pyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boron
CN1c2ccccc2C(=CC1=O)OCc3cn(nn3)C4C[C@H]5CC[C@@H](C4)[N+]5(C)C	0J0	(3-exo)-8,8-dimethyl-3-(4-{[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]methyl}-1h-1,2,3-triazol-1-yl)-8-azoniabicyclo[3.2.1]octane
CCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)OP(=O)(O)O)O)O)O)OC(=O)CCCCCCCC	0J1	(2r)-3-{[(r)-hydroxy{[(1s,2r,3s,4s,5r,6r)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dinonanoate
C[C@H](CC(=O)O)C1=NNC2=C(C1=O)C(=O)NC(=N2)N	0J2	(3r)-3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoic acid
CN1CCN(CC1)c2cc3c(cc(cc3NCc4cccc(c4)[N+](=O)[O-])C(F)(F)F)nc2	0J3	3-(4-methylpiperazin-1-yl)-n-(3-nitrobenzyl)-7-(trifluoromethyl)quinolin-5-amine
C[C@H](C1=NNC2=C(C1=O)C(=O)NC(=N2)N)C(=O)O	0J4	(2r)-2-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid
C(C1=NNC2=C(C1=O)C(=O)NC(=N2)N)C(=O)O	0J5	(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)acetic acid
c1cc(cc(c1)NC(=O)c2ccc3c(c2)c[nH]n3)c4[nH]nnn4	0J6	n-[3-(1h-tetrazol-5-yl)phenyl]-2h-indazole-5-carboxamide
c1cc(cc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3)c4ncccn4	0J7	3-(pyrimidin-2-yl)-n-[3-(1h-tetrazol-5-yl)phenyl]benzamide
c1cc(cc(c1)[N+](=O)[O-])CNc2c3cc(cnc3nc(n2)C(F)(F)F)c4cnn(c4)C5CCNCC5	0J8	n-(3-nitrobenzyl)-6-[1-(piperidin-4-yl)-1h-pyrazol-4-yl]-2-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-amine
CC(C)(C)n1c2c(c(n1)c3cccc4c3cccc4)c(ncn2)N	0J9	1-tert-butyl-3-(naphthalen-1-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
c1cc(c(c(c1)C2(CC2)C#N)Cl)C(=O)Nc3cc(ccc3F)Oc4ccc5c(n4)sc(n5)NC(=O)C6CC6	0JA	2-chloro-3-(1-cyanocyclopropyl)-n-[5-({2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)-2-fluorophenyl]benzamide
c1cc(cc(c1)NC(=O)c2cccc3c2[nH]cn3)c4[nH]nnn4	0JB	n-[3-(1h-tetrazol-5-yl)phenyl]-1h-benzimidazole-7-carboxamide
C1C[NH2][Pt+]2([NH2]1)I[Pt+]3(I2)[NH2]CC[NH2]3	0JC	di-mu-iodobis(ethylenediamine)diplatinum(ii)
c1ccc2c(c1)OC[C@H](O2)C(=O)O	0JD	(2s)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid
CCN(CC)C(=O)Nc1cn[nH]c1c2[nH]c3cc(c(cc3n2)OCC)F	0JE	3-[5-(5-ethoxy-6-fluoro-1h-benzimidazol-2-yl)-1h-pyrazol-4-yl]-1,1-diethylurea
Cc1ccc(cc1)CNC(=O)[C@H]2CCCN(C2)c3ccnc(n3)Nc4cc(c(c(c4)OC)OC)OC	0JF	(3s)-n-(4-methylbenzyl)-1-{2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}piperidine-3-carboxamide
Cc1ccc(cc1)c2c(n(c3c2c(ncn3)N)/C=C/CO)C[C@@H](C#N)C(=O)OC	0JG	methyl (2s)-3-{4-amino-7-[(1e)-3-hydroxyprop-1-en-1-yl]-5-(4-methylphenyl)-7h-pyrrolo[2,3-d]pyrimidin-6-yl}-2-cyanopropanoate
Cc1ccc(cc1)c2c(n(c3c2c(ncn3)N)CCCO)C[C@@H](C#N)C(=O)OC(C)(C)C	0JH	tert-butyl (2s)-3-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7h-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyanopropanoate
Cc1c(nnn1c2ccccc2)C(=O)O	0JI	5-methyl-1-phenyl-1,2,3-triazole-4-carboxylic acid
Cc1cc(sn1)c2ccc3nnc(n3n2)CNc4ccnc5c4ncc(c5)OC	0JJ	7-methoxy-n-{[6-(3-methyl-1,2-thiazol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-1,5-naphthyridin-4-amine
c1ccc(cc1)N2CCc3c(n(nn3)Cc4ccc5c(c4)cccn5)C2=O	0JK	5-phenyl-3-(quinolin-6-ylmethyl)-3,5,6,7-tetrahydro-4h-[1,2,3]triazolo[4,5-c]pyridin-4-one
Cc1cc(sn1)N2C=Cc3c(n(nn3)[C@@H](C)c4ccc5c(c4)cc(cn5)OCCOC)C2=O	0JL	3-{(1s)-1-[3-(2-methoxyethoxy)quinolin-6-yl]ethyl}-5-(3-methyl-1,2-thiazol-5-yl)-3,5-dihydro-4h-[1,2,3]triazolo[4,5-c]pyridin-4-one
CC1([C@@H](N2[C@@H]([C@H]([C@H]2S1)NC(=O)[C@@H](c3ccccc3)C(=O)O)O)C(=O)O)C	0JM	(2s,5r,6r,7r)-6-{[(2r)-2-carboxy-2-phenylacetyl]amino}-7-hydroxy-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carbo xylic acid
CC(C)(C)n1c2c(c(n1)Cc3cccc4c3cccc4)c(ncn2)N	0JN	1-tert-butyl-3-(naphthalen-1-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(=C)C(=O)O)O	0JO	2-{[(e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid
COc1cc2c(cc1OC)-c3c(ncn3CC2)c4cncs4	0JP	8,9-dimethoxy-1-(1,3-thiazol-5-yl)-5,6-dihydroimidazo[5,1-a]isoquinoline
Cc1cc(cnc1N2CCC(CC2)C(C)(C)O)c3cnnc4c3cc(c(c4)OC)OC	0JQ	2-{1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methylpyridin-2-yl]piperidin-4-yl}propan-2-ol
CC(C)(CO)[C@H](C(=O)NCCC(=O)NCc1cccnc1)O	0JR	(2r)-2,4-dihydroxy-3,3-dimethyl-n-{3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}butanamide
CCCCN(CC1CC1)c2nc(nc3n2nc(c3c4c(cc(cc4OC)Br)OC)C)C	0JS	8-(4-bromanyl-2,6-dimethoxy-phenyl)-~{n}-butyl-~{n}-(cyclopropylmethyl)-2,7-dimethyl-pyrazolo[1,5-a][1,3,5]triazin-4-amine
CC(C)[C@@H](CCC(=O)O)N	0JT	(4r)-4-amino-5-methylhexanoic acid
[H]/N=C\[C@H](CCC(=O)N)N	0JU	(4s,5z)-4-amino-5-iminopentanamide
CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@H]3[C@@H](C2)OC[C@H]3NC(=O)OC)O)S(=O)(=O)c4ccc(cc4)OC	0JV	methyl n-[(3s,3ar,5r,6ar)-5-[[(2s,3r)-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamoyloxy]-3,3a,4,5,6,6a-hexahydro-2h-cyclopenta[b]furan-3-yl]carbamate
c1cc(c(cc1/C=C(\C#N)/[C@H](N)O)O)O	0JW	(2e)-2-[(r)-amino(hydroxy)methyl]-3-(3,4-dihydroxyphenyl)prop-2-enenitrile
C(COP(=O)(O)OP(=O)(O)O)/C=C/O	0JX	(3e)-4-hydroxybut-3-en-1-yl trihydrogen diphosphate
CC(C)(C)C[C@@H](C(=O)O)N	0JY	4-methyl-l-leucine
CC(C)[C@@H]1c2nc(c[se]2)C(=O)N[C@@H](c3nc(c[se]3)C(=O)N[C@@H](c4nc(c[se]4)C(=O)N1)C(C)C)C(C)C	0JZ	(4r,11r,18r)-4,11,18-tri(propan-2-yl)-6,13,20-triselena-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione
CS(=O)(=O)Nc1cccc(c1)c2cnc(c(n2)C(=O)NCC3CCNCC3)N	0K0	3-amino-6-{3-[(methylsulfonyl)amino]phenyl}-n-(piperidin-4-ylmethyl)pyrazine-2-carboxamide
Cn1cc(cn1)c2cccc(c2)c3cnc(c(n3)C(=O)NC4[C@@H]5CC6C[C@H]4CC(C5)(C6)O)N	0K1	3-amino-6-[3-(1-methyl-1h-pyrazol-4-yl)phenyl]-n-[(1r,2r,3s,5s,7s)-5-hydroxyadamantan-2-yl]pyrazine-2-carboxamide
C(CC=O)COP(=O)(O)OP(=O)(O)O	0K2	4-oxobutyl trihydrogen diphosphate
CC(=CCC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)C	0K3	(2z,6z,10z,14z,18z,22z,26z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl dihydrogen phosphate
Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3cc(ccc3N(C2=O)O)Oc4ccccc4)O	0K5	(5-hydroxy-4-{[(1-hydroxy-2-oxo-6-phenoxy-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate
Cn1cc(cc1C(=O)N2CCN(CC2)C)Nc3ncc4cc(n(c4n3)C5CCCC5)C(=O)N	0K6	7-cyclopentyl-2-({1-methyl-5-[(4-methylpiperazin-1-yl)carbonyl]-1h-pyrrol-3-yl}amino)-7h-pyrrolo[2,3-d]pyrimidine-6-carboxamide
Cc1ccc(cc1)c2nc(cs2)C(=O)O	0K7	2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
c1ccc2c(c1)C(=O)c3ccc4c(c3C2=O)nc5c6c7c8c(c5n4)C=CC=[N]8[Ru+2]91([N]7=CC=C6)([N]2=CC=Cc3c2c2c(cc3)C=CC=[N]92)[N]2=CC=Cc3c2c2c(cc3)C=CC=[N]12	0K8	ruthenium bis-(phenanthroline) 12,17-dihydro-naphthodipyridophenazine-12,17-dione
C[C@H](C(=O)N[C@@H](Cc1cccc(c1)c2nccs2)[C@@H](CN[C@H]3CC4(CCC4)Oc5c3cc(cn5)CC(C)(C)C)O)OC	0K9	(2r)-n-{(2s,3r)-4-{[(4's)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxy-1-[3-(1,3-thiazol-2-yl)phenyl]butan-2-yl}-2-methoxypropanamide
[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Ag]45	0KA	silver/iron/sulfur cluster
c1ccc(c(c1)OCC(=O)Nc2cccc(c2)C(F)(F)F)P(=O)(O)O	0KB	[2-(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethoxy)phenyl]phosphonic acid
c1ccc(c(c1)OCC(=O)NC2CCCC2)P(=O)(O)O	0KC	{2-[2-(cyclopentylamino)-2-oxoethoxy]phenyl}phosphonic acid
c1cc(cnc1)NC(=O)c2ccnc3c2nc([nH]3)c4ccsc4	0KD	n-(pyridin-3-yl)-2-(thiophen-3-yl)-3h-imidazo[4,5-b]pyridine-7-carboxamide
Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3ccc(cc3N(C2=O)O)OC)O	0KE	(5-hydroxy-4-{[(1-hydroxy-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate
Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4nc(cn4n3)NC(=O)C5CC5	0KF	n-[3-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)phenyl]-1,3-dimethyl-1h-pyrazole-5-carboxamide
c1ccc(c(c1)OCC(=O)NC2CCCCC2)P(=O)(O)O	0KG	{2-[2-(cyclohexylamino)-2-oxoethoxy]phenyl}phosphonic acid
c1ccc(c(c1)OCC(=O)Nc2cccc(c2Cl)Cl)P(=O)(O)O	0KH	(2-{2-[(2,3-dichlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid
CCc1cc2c(c([nH]c2c(c1)Cl)C(=O)O)CCC(=O)O	0KI	7-chloranyl-5-ethyl-3-(3-hydroxy-3-oxopropyl)-1h-indole-2-carboxylic acid
CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)OC[C@@H]2CCC(=O)N2)O)S(=O)(=O)c3ccc4c(c3)scn4	0KJ	[(2s)-5-oxopyrrolidin-2-yl]methyl [(2s,3r)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2s)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
[H]/N=C/1\NC(C(=O)N1C)(c2ccccc2)c3ccccc3	0KK	(2e)-2-imino-3-methyl-5,5-diphenylimidazolidin-4-one
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C#CCCCN)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	0KL	5-(5-aminopent-1-yn-1-yl)-2'-deoxyuridine 5'-(tetrahydrogen triphosphate)
[H]/N=C/1\N[C@](C(=O)N1C)(c2ccccc2)c3cccc(c3)c4cccc(c4)OC	0KM	(2e,5r)-2-imino-5-(3'-methoxybiphenyl-3-yl)-3-methyl-5-phenylimidazolidin-4-one
C[C@H](C(=O)N[C@@H](Cc1ccc2c(c1)OCO2)[C@@H](CN[C@H]3CC4(CCC4)Oc5c3cc(cn5)CC(C)(C)C)O)OC	0KN	(2r)-n-[(2s,3r)-1-(1,3-benzodioxol-5-yl)-4-{[(4's)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxybutan-2-yl]-2-methoxypropanamide
Cc1nc(nc(n1)N)c2cc(cnc2Nc3ccc(nc3)OC)CN4CCN(CC4)S(=O)(=O)C	0KO	4-(2-[(6-methoxypyridin-3-yl)amino]-5-{[4-(methylsulfonyl)piperazin-1-yl]methyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine
[H]/N=C/1\N[C@](C(=O)N1C)(c2ccccc2)c3cccc(c3)c4cccnc4	0KP	(2e,5r)-2-imino-3-methyl-5-phenyl-5-[3-(pyridin-3-yl)phenyl]imidazolidin-4-one
[H]/N=C/1\N[C@@](C(=O)N1C)(c2cccc(c2)c3cc(cnc3)Cl)C4CC4	0KQ	(2e,5r)-5-[3-(5-chloropyridin-3-yl)phenyl]-5-cyclopropyl-2-imino-3-methylimidazolidin-4-one
[H]/N=C/1\N[C@@](C(=O)N1C)(c2cccc(c2)c3cc(cnc3)C#CC)C4CC4	0KR	(2e,5r)-5-cyclopropyl-2-imino-3-methyl-5-{3-[5-(prop-1-yn-1-yl)pyridin-3-yl]phenyl}imidazolidin-4-one
CN(c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c2ccccc2	0KS	n-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-n-methylbenzenesulfonamide
CN(c1ccc(cc1)[C@](c2cccn2CCOC)(C(F)(F)F)O)S(=O)(=O)c3ccccc3	0KT	n-methyl-n-(4-{(1s)-2,2,2-trifluoro-1-hydroxy-1-[1-(2-methoxyethyl)-1h-pyrrol-2-yl]ethyl}phenyl)benzenesulfonamide
Cc1c(sc(n1)[C@H]([C@@H]2CCCCN2)NC(=O)C(=O)Nc3ccc(cc3)Cl)CO	0KU	n-(4-chlorophenyl)-n'-{(s)-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl][(2s)-piperidin-2-yl]methyl}ethanediamide
[H]/N=C(\N)/N1CCC[C@H](C1)C[C@@H](C=O)NC(=O)CN2CCC[C@@H](C2=O)NS(=O)(=O)Cc3ccccc3	0KV	2-{(3s)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-n-{(2s)-1-[(3s)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide
Cc1c(sc(n1)[C@H]([C@@H]2CCCCN2)NC(=O)C(=O)Nc3ccc(cc3)Cl)CCO	0KW	n-(4-chlorophenyl)-n'-{(s)-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl][(2s)-piperidin-2-yl]methyl}ethanediamide
C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O	0KX	2'-deoxy-5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine
CCO[C@H](C)CN1c2c(nc[nH]2)C(=O)NC1=S	0KY	3-[(2r)-2-ethoxypropyl]-2-thioxo-1,2,3,9-tetrahydro-6h-purin-6-one
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H](C3([C@@H]2C3)COP(=O)(O)O)O	0KZ	[(1r,2s,4s,5s)-2-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)bicyclo[3.1.0]hex-1-yl]methyl dihydrogen phosphate
Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3cc(c(cc3N(C2=O)O)OC)Cc4ccccc4)O	0L0	(4-{[(6-benzyl-1-hydroxy-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
C(CCC(=O)O)CC(=O)O	0L1	hexanedioic acid
c1c(c2c(ncnc2n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N)C#CCCCNC(=O)CCCCCCCCCO	0L3	7-{2-deoxy-5-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-5-{5-[(10-hydroxydecanoyl)amino]pent-1-yn-1-yl}-7h-pyrrolo[2,3-d]pyrimidin-4-amine
c1c(c2c(ncnc2n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N)C#CCCCN	0L4	5-(5-aminopent-1-yn-1-yl)-7-{2-deoxy-5-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-7h-pyrrolo[2,3-d]pyrimidin-4-amine
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C#CCCCNC(=O)CCCCCCCCCO)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	0L5	2'-deoxy-5-{5-[(10-hydroxydecanoyl)amino]pent-1-yn-1-yl}uridine 5'-(tetrahydrogen triphosphate)
C1[C@@H]([C@H](O[C@H]1N2CC(=C(NC2=O)N)C#CCCCN)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	0L6	5-(5-aminopent-1-yn-1-yl)-2'-deoxycytidine 5'-(tetrahydrogen triphosphate)
c1c(c2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N)C#CCCCN	0L7	2-amino-5-(5-aminopent-1-yn-1-yl)-7-{2-deoxy-5-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
c1cc(ccc1c2c(cc(cc2Br)CO)c3ccoc3)O	0L8	2'-bromo-6'-(furan-3-yl)-4'-(hydroxymethyl)biphenyl-4-ol
Cc1c(c(c2cc(ccc2n1)Br)c3ccc(cc3)Cl)[C@@H](C(=O)O)OC	0L9	(2s)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](methoxy)ethanoic acid
C[C@@H](c1ccc2c3cc(ccc3[nH]c2c1)Cl)C(=O)O	0LA	(2s)-2-(6-chloro-9h-carbazol-2-yl)propanoic acid
c1cc(ccc1N2CCN(CC2)C(=O)[C@@H]3CCCC[C@H]3C(=O)NC4(CC4)C#N)F	0LB	(1r,2r)-n-(1-cyanocyclopropyl)-2-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}cyclohexanecarboxamide
c1cc2c(cc1F)c3c([nH]2)CCN(C3)C(=O)[C@@H]4CCCC[C@H]4C(=O)NC5(CC5)C#N	0LC	(1r,2r)-n-(1-cyanocyclopropyl)-2-[(8-fluoro-1,3,4,5-tetrahydro-2h-pyrido[4,3-b]indol-2-yl)carbonyl]cyclohexanecarboxamide
Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3cn(nc3N(C2=O)O)c4ccccc4)O	0LD	(5-hydroxy-4-{[(7-hydroxy-6-oxo-2-phenyl-6,7-dihydro-2h-pyrazolo[3,4-b]pyridin-5-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate
c1ccc(cc1)CCCCO[C@@H]2C[C@H](NC2)C(=O)O	0LF	(4r)-4-(4-phenylbutoxy)-l-proline
CC(C)c1cccc(c1)CNC[C@H]([C@@H]2COC/C=C/C[C@H](NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N2)c4ccccc4)O	0LG	n-[(4s,8e,11s)-4-[(1r)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-2,13-dioxo-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraen-16-yl]-n-methylmethanesulfonamide
c1ccc2c(c1)ccn2CCN	0LH	2-(1h-indol-1-yl)ethanamine
Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C	0LI	3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-n-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide
[H]/N=C(/N)\N[C@@H]1Cc2ccccc2[C@H]1NC(=O)C(=O)Nc3ccc(c(c3)F)Cl	0LJ	n-[(1r,2r)-2-carbamimidamido-2,3-dihydro-1h-inden-1-yl]-n'-(4-chloro-3-fluorophenyl)ethanediamide
[H]/N=C(\N)/N[C@H]1Cc2ccccc2[C@@H]1NC(=O)C(=O)Nc3ccc(c(c3)F)Cl	0LK	n-[(1s,2s)-2-carbamimidamido-2,3-dihydro-1h-inden-1-yl]-n'-(4-chloro-3-fluorophenyl)ethanediamide
c1ccc2c(c1)C[C@@H]([C@H]2NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)N	0LL	n-[(1s,2s)-2-amino-2,3-dihydro-1h-inden-1-yl]-n'-(4-chloro-3-fluorophenyl)ethanediamide
CC1(CC(CC(N1C)(C)C)NC(=O)C(=O)Nc2ccc(c(c2)F)Cl)C	0LM	n-(4-chloro-3-fluorophenyl)-n'-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethanediamide
CN1CCCCN(S(=O)(=O)NC(=O)c2ccc3c(c2)n4c(c3C5CCCCC5)-c6ccc(cc6C=C(C4)C1=O)OC)C	0LN	13-cyclohexyl-3-methoxy-17,22-dimethyl-7h-10,6-(methanoiminothioiminobutanoiminomethano)indolo[2,1-a][2]benzazepine-14,23-dione 16,16-dioxide
c1ccc(cc1)c2cc(cnc2)C(=O)O	0LO	5-phenylpyridine-3-carboxylic acid
CC(=O)N[C@@H]1[C@H](C(=C(O[C@H]1[C@H]([C@@H](CO)O)O)C(=O)O)C/C=C/c2ccccc2)O	0LP	5-acetamido-2,6-anhydro-3,5-dideoxy-3-[(2e)-3-phenylprop-2-en-1-yl]-d-glycero-l-altro-non-2-enonic acid
c1ccc(cc1)C(c2ccccc2)N3[C@H]4CNC[C@@H]4N(C(=O)C3=O)C(c5ccccc5)c6ccccc6	0LQ	(4as,7as)-1,4-bis(diphenylmethyl)hexahydro-1h-pyrrolo[3,4-b]pyrazine-2,3-dione
c1ccc(cc1)[C@H]2CCNC[C@@H]2OCc3ccc4ccccc4c3	0LR	(3r,4r)-3-(naphthalen-2-ylmethoxy)-4-phenylpiperidine
c1ccc(cc1)C[C@@H]2CNC[C@H]2CN(c3ccccc3)c4ccc(cc4)Cl	0LS	n-{[(3s,4s)-4-benzylpyrrolidin-3-yl]methyl}-4-chloro-n-phenylaniline
CC(C)N(C[C@@H]1CNC[C@H]1Cc2ccccc2)C(=O)c3ccc(c(c3)OCCCOC)OC	0LT	n-{[(3s,4s)-4-benzylpyrrolidin-3-yl]methyl}-4-methoxy-3-(3-methoxypropoxy)-n-(propan-2-yl)benzamide
c1ccc2c(c1)C(c3ccccc3S2)C[C@@H](CN4CCCC4)O	0LU	(2s)-1-(pyrrolidin-1-yl)-3-(9h-thioxanthen-9-yl)propan-2-ol
CC1(Cc2cccc(c2O1)CO)C	0LV	(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)methanol
c1ccc2c(c1)C(c3ccccc3S2)C[C@H](CN4CCCC4)O	0LW	(2r)-1-(pyrrolidin-1-yl)-3-(9h-thioxanthen-9-yl)propan-2-ol
CO[C@H](C[C@H](CCCCNCc1ccc(cc1)F)C(=O)NO)c2ccc(cc2)F	0LX	(2s)-6-[(4-fluorobenzyl)amino]-2-[(2r)-2-(4-fluorophenyl)-2-methoxyethyl]-n-hydroxyhexanamide
CC1(CC(CC(N1)(C)C)NC(=O)C(=O)Nc2ccc(cc2)Br)C	0LY	n-(4-bromophenyl)-n'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide
c1ccc2c(c1)CCN[C@@H]2CNC(=O)C(=O)Nc3ccc(c(c3)F)Cl	0LZ	n-(4-chloro-3-fluorophenyl)-n'-[(1s)-1,2,3,4-tetrahydroisoquinolin-1-ylmethyl]ethanediamide
CC1(O[C@H]([C@@H](O1)CNC(=O)C(=O)Nc2ccc(c(c2)F)Cl)CN)C	0M1	n-{[(4s,5s)-5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl}-n'-(4-chloro-3-fluorophenyl)ethanediamide
C[C@H](CN1CC2=C(C1)c3ccccc3Nc4c2cccc4)O	0M2	(2r)-1-(3,8-dihydrodibenzo[b,f]pyrrolo[3,4-d]azepin-2(1h)-yl)propan-2-ol
Cc1ccc(cc1)S(=O)(=O)N[C@@H]2C[C@@H](CNC2)C(=O)NCC(c3ccccc3)c4ccccc4	0M3	(3s,5r)-n-(2,2-diphenylethyl)-5-{[(4-methylphenyl)sulfonyl]amino}piperidine-3-carboxamide
c1cc(c(cc1NC(=O)C(=O)NC[C@@]23CCC[C@@H]2CNC3)F)Cl	0M4	n-(4-chloro-3-fluorophenyl)-n'-[(3as,6as)-hexahydrocyclopenta[c]pyrrol-3a(1h)-ylmethyl]ethanediamide
c1cc(c(cc1NC(=O)C(=O)NC[C@H]2CCN(C2)C3CC3)F)Cl	0M5	n-(4-chloro-3-fluorophenyl)-n'-{[(3r)-1-cyclopropylpyrrolidin-3-yl]methyl}ethanediamide
CC(C)C[C@@H](C(=O)N[C@@H](CCO)CO)NC(=S)Nc1ccccc1	0M6	n-[(2s)-1,4-dihydroxybutan-2-yl]-n~2~-(phenylcarbamothioyl)-l-leucinamide
CCCCCNCC(P(=O)(O)O)P(=O)(O)O	0M7	[2-(pentylamino)ethane-1,1-diyl]bis(phosphonic acid)
CCCCCCCNCC(P(=O)(O)O)P(=O)(O)O	0M8	[2-(heptylamino)ethane-1,1-diyl]bis(phosphonic acid)
CCCNCC(P(=O)(O)O)P(=O)(O)O	0M9	[2-(propylamino)ethane-1,1-diyl]bis(phosphonic acid)
CC1(C[C@H]2C3=CC[C@H]4[C@]([C@@]3(CC[C@]2(C=C1)C(=O)O)C)(CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5(C)C)O)O)C)C)C	0MA	maslinic acid
c1ccc(cc1)c2nc(sn2)N3CCCNCC3	0MB	1-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane
CC[C@@H]1CCCC[C@]1(C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCC(=O)O)O	0MC	{3-[(1r)-3-(3,4-dimethoxyphenyl)-1-({[(2s)-1-{[(1s,2r)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid
CC[C@H]1CCCC[C@@]1(C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCC(=O)O)O	0MD	{3-[(1r)-3-(3,4-dimethoxyphenyl)-1-({[(2s)-1-{[(1r,2s)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid
c1ccc2c(c1)C(c3ccccc3O2)CNC(=O)[C@H]4CCCNC4	0ME	(3s)-n-(9h-xanthen-9-ylmethyl)piperidine-3-carboxamide
Cc1c(c(no1)c2ccccc2OC)C(=O)N3CCN(CC3)c4cc(c(cc4Cl)[N+](=O)[O-])NC(=O)c5ccco5	0MF	n-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]furan-2-carboxamide
C(C[C@@H](C(=O)C(=O)O)N)CNC(=[NH2+])N	0MG	amino{[(4s)-4-amino-5-carboxy-5-oxopentyl]amino}methaniminium
Cc1c(c(no1)c2ccccc2OC)C(=O)N3CCN(CC3)c4cc(c(cc4Cl)[N+](=O)[O-])NC(=O)c5cccs5	0MH	n-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]thiophene-2-carboxamide
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CN=[N]=N)O	0MI	1-[(2~{r},4~{s},5~{r})-5-[[(azanylidene-$l^{4}-azanylidene)amino]methyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
Cc1ccc(cc1)S(=O)(=O)N[C@@H]2C[C@@H](CNC2)C(=O)NCC3c4ccccc4Oc5c3cccc5	0MJ	(3s,5r)-5-{[(4-methylphenyl)sulfonyl]amino}-n-(9h-xanthen-9-ylmethyl)piperidine-3-carboxamide
C1[C@@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O	0MK	beta-l-ribopyranose
C[C@@H]([C@@H](C(=O)NCc1ccc(cc1)I)O)N	0ML	(2s,3s)-3-amino-2-hydroxy-n-(4-iodobenzyl)butanamide
Cc1c(c(no1)c2cccnc2Cl)C(=O)N3CCN(CC3)c4ccc(cc4Cl)[N+](=O)[O-]	0MM	[4-(2-chloro-4-nitrophenyl)piperazin-1-yl][3-(2-chloropyridin-3-yl)-5-methyl-1,2-oxazol-4-yl]methanone
COc1cccc(c1)OCC(=O)Nc2ccc(cc2)c3nc4ccccc4s3	0MN	n-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(3-methoxyphenoxy)acetamide
CCCCOc1cc(ccc1OC)C[C@@H]2CNC(=O)N2	0MO	(4r)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one
CC(=O)N[C@@H](Cc1ccc(cc1)F)[C@@H](CN[C@H]2CC3(CCC3)Oc4c2cc(cn4)CC(C)(C)C)O	0MP	n-((2s,3r)-1-(4-fluorophenyl)-3-hydroxy-4-((6'-neopentyl-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl)amino)butan-2-yl)acetamide
C1CCC(CC1)NCC(P(=O)(O)O)P(=O)(O)O	0MQ	[2-(cyclohexylamino)ethane-1,1-diyl]bisphosphonic acid
Cc1c(c(no1)c2ccccc2OC)C(=O)N3CCN(CC3)c4cc(c(cc4Cl)[N+](=O)[O-])NC(=O)c5ccccn5	0MR	n-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]pyridine-2-carboxamide
Cc1cc(cnc1N2CCN(CC2)C(=O)c3c(onc3c4ccccc4Cl)C)Br	0MS	[4-(5-bromanyl-3-methyl-pyridin-2-yl)piperazin-1-yl]-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
c1ccc(cc1)c2c3c([nH]n2)C(=O)N([C@@H]3c4ccc(cc4)[N+](=O)[O-])c5ccc(cc5)C(=O)O	0MT	4-[(4r)-4-(4-nitrophenyl)-6-oxidanylidene-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoic acid
CC(=O)OCC1CS[C@@H](N=C1C(=O)O)[C@@H](C=O)NC(=O)CCC[C@H](C(=O)O)N	0MU	(2r)-5-(acetyloxymethyl)-2-[(1r)-1-[[(5r)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexanoyl]amino]-2-oxidanylidene-ethyl]-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)Nc4ccccc4C(=O)N3	0MV	(3s)-3-(1h-indol-3-ylmethyl)-3,4-dihydro-1h-1,4-benzodiazepine-2,5-dione
CCCCCCNCC(P(=O)(O)O)P(=O)(O)O	0MW	[2-(hexylamino)ethane-1,1-diyl]bis(phosphonic acid)
c1cc(cc(c1)Cl)S(=O)(=O)Nc2ccc(cc2)c3ccc4c(c3)c(n[nH]4)NC(=O)c5ccco5	0MX	n-[5-(4-{[(3-chlorophenyl)sulfonyl]amino}phenyl)-1h-indazol-3-yl]furan-2-carboxamide
c1cc(cc(c1)Cl)S(=O)(=O)Nc2ccc(cc2)c3ccc4c(c3)c(n[nH]4)N	0MY	n-[4-(3-amino-1h-indazol-5-yl)phenyl]-3-chlorobenzenesulfonamide
c1ccc(c(c1)/C=N/N=C\2/N=C([C@@H](S2)CC(=O)Nc3cccc(c3)C(F)(F)F)O)O	0MZ	2-{(2z,5s)-4-hydroxy-2-[(2e)-(2-hydroxybenzylidene)hydrazinylidene]-2,5-dihydro-1,3-thiazol-5-yl}-n-[3-(trifluoromethyl)phenyl]acetamide
Cc1ccc(cc1)S(=O)(=O)N[C@@H]2C[C@@H](CNC2)C(=O)NCC3(c4ccccc4Oc5c3cccc5)CCCCOC	0N0	(3s,5r)-n-{[9-(4-methoxybutyl)-9h-xanthen-9-yl]methyl}-5-{[(4-methylphenyl)sulfonyl]amino}piperidine-3-carboxamide
Cc1cc2cc(c1)C(=O)N[C@@H](COC/C=C/C[C@@H](NC2=O)c3ccccc3)[C@@H](CNCc4cccc(c4)C(C)C)O	0N1	(4s,8e,11r)-4-[(1r)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-16-methyl-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione
C[C@@H]1[C@@H]([C@H](C[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)N)O	0N2	(2r,4s,5r,6r)-4-amino-5-hydroxy-6-methyltetrahydro-2h-pyran-2-yl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate
B(CNS(=O)(=O)Cc1cccc(c1)C(=O)O)(O)O	0N3	3-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid
B(CNS(=O)(=O)c1ccc(cc1)c2[nH]nnn2)(O)O	0N4	[({[4-(1h-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid
COc1cc2c(cc1O)ncnc2Nc3ccc(cc3)NC(=O)c4ccccc4	0N5	n-{4-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl}benzamide
c1cc(cc(c1)C#N)C[C@H](C(=O)N2CCCC2)NS(=O)(=O)c3ccc4c(c3)CCNC4	0N6	(r)-(3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide
c1ccc2c(c1)CC(=O)N(C2=O)O	0N7	2-hydroxyisoquinoline-1,3(2h,4h)-dione
c1ccc(cc1)CN2CCC(CC2)(Cc3ccc(cc3)Cl)C(=O)/C=C(/C(=O)O)\O	0N8	(2z)-4-[1-benzyl-4-(4-chlorobenzyl)piperidin-4-yl]-2-hydroxy-4-oxobut-2-enoic acid
Cn1cc(nc1)C2=NC(=C(C(=O)N2)O)C(=O)O	0N9	5-hydroxy-2-(1-methyl-1h-imidazol-4-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid
B(CNS(=O)(=O)c1ccc(nc1)c2[nH]nnn2)(O)O	0NA	[({[6-(1h-tetrazol-5-yl)pyridin-3-yl]sulfonyl}amino)methyl]boronic acid
B(CNS(=O)(=O)c1ccc(c(c1)Cl)c2[nH]nnn2)(O)O	0NB	[({[3-chloro-4-(1h-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid
C[C@@H](C(=O)NC)N	0NC	n-methyl-l-alaninamide
B(CNS(=O)(=O)c1ccc(cc1Cl)c2[nH]nnn2)(O)O	0ND	[({[2-chloro-4-(1h-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid
B(CNS(=O)(=O)c1ccc(cc1C(F)(F)F)c2[nH]nnn2)(O)O	0NE	[({[4-(1h-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonyl}amino)methyl]boronic acid
CC(C)(c1cc(cc(c1)NC(=O)[C@H]2CCc3ccc(cc3C2)Oc4ccnc5c4CCC(=O)N5)C(F)(F)F)N	0NF	(2s)-n-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
B(CNS(=O)(=O)CCl)(O)O	0NG	({[(chloromethyl)sulfonyl]amino}methyl)boronic acid
CC1(CCN(CC1)S(=O)(=O)C)n2cnc3c2c4cc[nH]c4nc3	0NH	1-[4-methyl-1-(methylsulfonyl)piperidin-4-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine
CC1=C(C(=O)c2ccccc2N1)CC=C(C)CC/C=C(\C)/CCC=C(C)C	0NI	aurachin d
COc1ccc2c(c1)sc(n2)c3ccccc3F	0NJ	2-(2-fluorophenyl)-6-methoxy-1,3-benzothiazole
CCC(CC)Nc1c2cc(c(c(c2ncn1)OC)OC)OC	0NK	6,7,8-trimethoxy-n-(pentan-3-yl)quinazolin-4-amine
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C1)n2cnc3c2c4cc[nH]c4nc3	0NL	tert-butyl [(1r,3r)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl)cyclopentyl]carbamate
C(#N)O	0NM	cyanic acid
c1ccc(cc1)CN2CCC[C@@H]2C(=O)NCCCN3CCC4(CC3)c5ccccc5CO4	0NN	1-benzyl-n-[3-(1'h,3h-spiro[2-benzofuran-1,4'-piperidin]-1'-yl)propyl]-d-prolinamide
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)N=[N+]=N)F	0NP	2',3'-dideoxy-2'-fluoro-3'-triaza-1,2-dien-2-ium-1-yluridine
CCO[P@@]1(=O)c2cc(ccc2NC(=N1)C3=C([C@@H](N(C3=O)CCC(C)(C)C)C(C)(C)C)O)NS(=O)(=O)C	0NQ	n-{(1s)-3-[(5s)-5-tert-butyl-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxo-2,5-dihydro-1h-pyrrol-3-yl]-1-ethoxy-1-oxido-1,4-dihydro-2,4,1-benzodiazaphosphinin-7-yl}methanesulfonamide
COC(=O)C1=C(C(=O)c2cccnc2N1c3ccccc3)Cc4ccc(cc4)C(=O)NC5[C@@H]6CC7C[C@H]5CC(C6)(C7)N	0NR	methyl 3-(4-{[(1r,2s,3s,5s,7s)-5-aminotricyclo[3.3.1.1~3,7~]dec-2-yl]carbamoyl}benzyl)-4-oxo-1-phenyl-1,4-dihydro-1,8-naphthyridine-2-carboxylate
CN1Cc2cc(ccc2NC1=O)NS(=O)(=O)c3ccccc3OC	0NS	2-methoxy-n-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzenesulfonamide
CC(C)N1CCC[C@H]1C(=O)N2CCC(CC2)n3cnc4c3c5cc[nH]c5nc4	0NT	[4-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl)piperidin-1-yl][(2s)-1-(propan-2-yl)pyrrolidin-2-yl]methanone
c1c[nH]c2c1c3c(cn2)ncn3[C@@H]4CCCN(C4)C(=O)CC#N	0NU	3-[(3r)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl)piperidin-1-yl]-3-oxopropanenitrile
c1ccc(cc1)CN2CCC(CC2)n3cnc4c3c5cc[nH]c5nc4	0NV	1-(1-benzylpiperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine
[H]/N=C(\c1cccc(c1)C[C@@H](C(=O)N2CCC(CC2)CCN)NS(=O)(=O)c3cccc(c3)c4ccc(cc4Cl)Cl)/N	0NW	3-[(2s)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-{[(2',4'-dichlorobiphenyl-3-yl)sulfonyl]amino}-3-oxopropyl]benzenecarboximidamide
c1ccc(cc1)c2cc(no2)CO	0NX	(5-phenyl-1,2-oxazol-3-yl)methanol
Cc1cc([nH]n1)C[C@H](C)Nc2c3ccc(c(c3ncn2)OC)OC	0NY	7,8-dimethoxy-n-[(2s)-1-(3-methyl-1h-pyrazol-5-yl)propan-2-yl]quinazolin-4-amine
C1[C@H]([C@@H]([C@H](O[C@H]1O)COP(=O)(O)O)O)O	0NZ	2-deoxy-6-o-phosphono-beta-d-glucopyranose
Cc1ccccc1N2C(=O)c3c(c(ccc3N(C2=O)C)C(=O)c4c(nn(c4O)C)C)C	0O0	6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,5-dimethyl-3-(2-methylphenyl)quinazoline-2,4-dione
c1ccc(cc1)CCNc2[nH]c3c(n2)cc4c(c3CCNCC5CCCC5)N=C(NC4=O)N	0O1	6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-[(2-phenylethyl)amino]-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N	0O2	guanosine 5'-(tetrahydrogen triphosphate) 3'-(trihydrogen diphosphate)
C=C(CCOP(=O)(O)OP(=O)(O)O)CO	0O3	3-(hydroxymethyl)but-3-en-1-yl trihydrogen diphosphate
c1ccc2c(c1)ccnc2c3ccc(cc3)C(=O)NCCN4CCOCC4	0O4	4-(isoquinolin-1-yl)-n-[2-(morpholin-4-yl)ethyl]benzamide
Cc1cc2ccccc2c(n1)c3ccc(cc3)C(=O)NCCN4CCOCC4	0O5	4-(3-methylisoquinolin-1-yl)-n-[2-(morpholin-4-yl)ethyl]benzamide
CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H](c3ccccc3)c4cn(nn4)CCCCc5ccc(cc5)CCCCn6cc(nn6)[C@H](c7ccccc7)NC(=O)[C@@H]8CC[C@H]9N8C(=O)[C@H]([C@H](CC9)CO)NC(=O)[C@H](CC)NC)CO)NC	0O6	(3s,6s,7s,9as,3's,6's,7's,9a's)-n,n'-(benzene-1,4-diylbis{butane-4,1-diyl-1h-1,2,3-triazole-1,4-diyl[(s)-phenylmethanediyl]})bis[7-(hydroxymethyl)-6-{[(2s)-2-(methylamino)butanoyl]amino}-5-oxooctahydro-1h-pyrrolo[1,2-a]azepine-3-carboxamide]
CCc1ccc(cc1)c2ccc3c(c2)-c4c(c[nH]n4)S(=O)(=O)N3C	0O7	8-(4-ethylphenyl)-5-methyl-2,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide
CCCCCCCCCCCCCCCCCCO[P@@](=O)(O)OC1CC[N+](CC1)(C)C	0O8	(1,1-dimethylpiperidin-1-ium-4-yl) octadecyl hydrogen phosphate
CCCCCCCCCCCCCCCCCCOC[C@@H](COP(=O)(O)O[C@H]1[C@H](C[C@@H]([C@H]([C@H]1O)O)O)OCC(C)C)OC	0O9	(2s)-2-methoxy-3-(octadecyloxy)propyl (1r,2r,3r,4s,6s)-2,3,4-trihydroxy-6-(2-methylpropoxy)cyclohexyl hydrogen (s)-phosphate
CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1C(CC(C(C1O)O)O)OCC2CCCCC2)OC	0OA	(1r,2s,3r,4s,6s)-6-(cyclohexylmethoxy)-2,3,4-trihydroxycyclohexyl (2r)-2-methoxy-3-(octadecyloxy)propyl hydrogen (s)-phosphate
c1ccc2c(c1)cc(s2)CCC(=O)O	0OB	3-(1-benzothiophen-2-yl)propanoic acid
CN(C)S(=O)(=O)c1ccsc1	0OC	n,n-dimethylthiophene-3-sulfonamide
CC12=C3([Rh+]145(C2(=C4(C53C)CCNC(=O)CCCCC6C7C(CS6)NC(=O)N7)C)(Cl)(Cl)Cl)C	0OD	trichloro{(1,2,3,4,5-eta)-1,2,3,4-tetramethyl-5-[2-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethyl]cyclopentadienyl}rhodium(1+)
c1cc(cc(c1)Cl)c2c(cn[nH]2)c3nc4cc(ccc4n3CCCn5ccnc5)c6ccc(cc6)C(=O)O	0OE	4-{2-[5-(3-chlorophenyl)-1h-pyrazol-4-yl]-1-[3-(1h-imidazol-1-yl)propyl]-1h-benzimidazol-5-yl}benzoic acid
CCN1c2ccc(cc2N(C(=O)[C@H](C1=O)c3cc(cc(c3)O)c4cccnc4)c5ccccc5)C(F)(F)F	0OF	(3s)-1-ethyl-3-[3-hydroxy-5-(pyridin-3-yl)phenyl]-5-phenyl-7-(trifluoromethyl)-1h-1,5-benzodiazepine-2,4(3h,5h)-dione
CCc1cc(n(n1)c2ccc3c(c2)nc(n3CC4=CNC(=O)C=C4)c5cc(ccc5O)C(=O)O)c6ccc(o6)C	0OG	3-{5-[3-ethyl-5-(5-methylfuran-2-yl)-1h-pyrazol-1-yl]-1-[(6-oxo-1,6-dihydropyridin-3-yl)methyl]-1h-benzimidazol-2-yl}-4-hydroxybenzoic acid
c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@]4([C@@H]3C4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N	0OH	north-methanocarba-2'-deoxyadenosine triphosphate
CNC(=O)Nc1ccccc1F	0OI	n-(2-fluorophenyl)-n'-methylurea
c1nc(c2c(n1)n(cn2)[C@]34C[C@H]3[C@@H]([C@H](C4)O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N	0OJ	south-methanocarba-2'-deoxyadenosine triphosphate
c1ccc(cc1)N2C=Nc3ccccc3C2=O	0OK	3-phenylquinazolin-4(3h)-one
c1ccc(cc1)C(=O)N2CCCCC2	0OL	phenyl(piperidin-1-yl)methanone
c1ccc(cc1)COC(=O)c2cccnc2	0OM	benzyl pyridine-3-carboxylate
c1ccc(cc1)NC(=O)c2cccnc2	0ON	n-phenylpyridine-3-carboxamide
c1ccc(cc1)Oc2cccc(c2)CO	0OO	(3-phenoxyphenyl)methanol
c1ccc(cc1)COc2cccc(c2)CO	0OP	[3-(benzyloxy)phenyl]methanol
c1cc(ccc1C(=O)N2C[C@@H]3C[C@H](C2)C4=CC=CC(=O)N4C3)C(F)(F)F	0OQ	(1r,5s)-3-[4-(trifluoromethyl)benzoyl]-1,2,3,4,5,6-hexahydro-8h-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
CC(C)(COP(=O)(O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)N)O	0OR	n~3~-[(2r)-2-hydroxy-4-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}-3,3-dimethylbutanoyl]-beta-alaninamide
COc1ccc(cc1OC)CC[C@@H](c2cccc(c2)OCC(=O)O)OC(=O)[C@@H]3CCCCN3S(=O)(=O)c4cc(cc(c4)Cl)Cl	0OS	{3-[(1s)-1-[({(2s)-1-[(3,5-dichlorophenyl)sulfonyl]piperidin-2-yl}carbonyl)oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acid
CCOc1c(cc(cc1Br)Br)CNCCCNC2=CC(=O)c3ccccc3N2	0OT	2-({3-[(3,5-dibromo-2-ethoxybenzyl)amino]propyl}amino)quinolin-4(1h)-one
c1ccc2c(c1)C(=O)C=C(N2)NCCCNCc3cc(cc(c3)Cl)Cl	0OU	2-({3-[(3,5-dichlorobenzyl)amino]propyl}amino)quinolin-4(1h)-one
C[C@@H]1CCCC[C@@H]1Oc2nc(c3c(n2)N(C=CC3=O)CC#N)N	0OV	[4-amino-2-{[(1s,2r)-2-methylcyclohexyl]oxy}-5-oxopyrido[2,3-d]pyrimidin-8(5h)-yl]acetonitrile
C1CCC(C1)Oc2nc(c(c(n2)O[C@@H]3CCC[C@@H]3O)C(=O)N)N	0OW	4-amino-2-(cyclopentyloxy)-6-{[(1r,2s)-2-hydroxycyclopentyl]oxy}pyrimidine-5-carboxamide
c1c(c(nc(n1)OC2CCCC2)N)C(=O)N	0OX	4-amino-2-(cyclopentyloxy)pyrimidine-5-carboxamide
c1cc(ccc1C(=O)N2CCOCC2)O	0OY	(4-hydroxyphenyl)(morpholin-4-yl)methanone
C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)[NH3+]	0P0	n-[(4r)-4-ammonio-4-carboxybutanoyl]-l-cysteinylglycine
C[C@@H](C(=O)N[C@@H](CC(C)C)[P@@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)OC)NC(=O)[C@H](C)NC(=O)OCc2ccccc2	0P1	n-[(benzyloxy)carbonyl]-l-alanyl-n-{(1s)-1-[(r)-[(1r)-1-benzyl-2-methoxy-2-oxoethoxy](hydroxy)phosphoryl]-3-methylbutyl }-l-alaninamide
B([C@H]([C@@H](C)CC)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)(O)O	0P2	n~2~-[(benzyloxy)carbonyl]-n-[(1r,2s)-1-(dihydroxyboranyl)-2-methylbutyl]-l-alaninamide
c1ccc2c(c1)[nH]c(n2)NCCCNCc3cc(cc(c3)Cl)Cl	0P4	n-(1h-benzimidazol-2-yl)-n'-(3,5-dichlorobenzyl)propane-1,3-diamine
COc1ccc(c(c1)Cl)Oc2cc(nc(n2)N3CCNC(=O)C3)NCc4[nH]c5ccccc5n4	0P5	4-{4-[(1h-benzimidazol-2-ylmethyl)amino]-6-(2-chloro-4-methoxyphenoxy)pyrimidin-2-yl}piperazin-2-one
c1cc2ccc(nc2c(c1)O)N	0P6	2-aminoquinolin-8-ol
COc1c(cc(cc1Br)Br)CNCCCNC2=CC(=O)c3ccccc3N2	0P8	2-({3-[(3,5-dibromo-2-methoxybenzyl)amino]propyl}amino)quinolin-4(1h)-one
C1CCC(C1)CC(=O)O	0PA	cyclopentylacetic acid
C[C@@H](C(=O)CCl)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2	0PC	nalpha-[(benzyloxy)carbonyl]-n-[(1s)-3-chloro-1-methyl-2-oxopropyl]-l-phenylalaninamide
CCc1ccc(cc1)c2ccc3c(c2)-c4c(cnn4CC)S(=O)(=O)N3C	0PF	1-ethyl-8-(4-ethylphenyl)-5-methyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide
	0PI	n-[(2r,4s)-4-hydroxy-2-(2-methylpropyl)-4-oxido-7-oxo-9-phenyl-3,8-dioxa-6-aza-4-phosphanonan-1-oyl]-l-leucine
	0PJ	n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-l-leucine
	0PK	n-[(s)-[(1r)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]-l-leucyl-l-alanine
Cn1c2ccc(cc2nn1)[C@@H](CC(=O)O)c3ccc(c(c3)CN(C)S(=O)(=O)c4ccccc4)Cl	0PL	(3s)-3-{4-chloro-3-[(n-methylbenzenesulfonamido) methyl]phenyl}-3-(1-methyl-1h-1,2,3-benzotriazol-5-yl)propanoic acid
CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@@]2CC[C@H](C[C@H]2C(=O)NC(C)(C)C)SCc3cccnc3)O)NC(=O)c4ccc5ccccc5n4	0PO	n-[(1r)-1-{[(1s,2s)-1-benzyl-3-{(2r,4s)-2-(tert-butylcarbamoyl)-4-[(pyridin-3-ylmethyl)sulfanyl]piperidin-1-yl}-2-hydroxypropyl]carbamoyl}-2-methylpropyl]quinoline-2-carboxamide
CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@H]([C@H](Cc1ccccc1)NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc3ccccc3n2)O)C(C)(C)C	0PP	(2s)-2-tert-butyl-n~4~-(1-ethylpropyl)-n~1~-[(2r,3s)-2-hydroxy-4-phenyl-3-{[n-(quinolin-2-ylcarbonyl)-l-threonyl]amino}butyl]butanediamide
c1ccc(cc1)C[C@H](C[P@@](=O)([C@H](Cc2ccccc2)N)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)O	0PQ	n-{(2r)-3-[(s)-[(1r)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}-l-phenylalanine
Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](Cc2ccc(cc2)O)C(=O)O)O	0PR	n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-tyrosine
CC(C)[C@H](C[C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](CC(=O)N)NC(=O)c2ccc3ccccc3n2)O)C(=O)NCC(C)(C)C	0PX	n~1~-{(1s,2s,4s)-1-(cyclohexylmethyl)-4-[(2,2-dimethylpropyl)carbamoyl]-2-hydroxy-5-methylhexyl}-n~2~-(quinolin-2-ylcar bonyl)-l-aspartamide
c1ccncc1	0PY	pyridine
CCCC[C@@H]1CO1	0PZ	(2r)-2-butyloxirane
Cc1c(c(on1)C)c2ccc3c(c2)[C@@](CC3)(c4ccccc4)O	0Q1	(1r)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydro-1h-inden-1-ol
Cc1nc2cnc3c(c2n1[C@@H]4CCC[C@H](C4)O)CC=N3	0Q2	(1r,3r)-3-(2-methylimidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(8h)-yl)cyclohexanol
CCCC[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=[NH2+])N)N	0Q4	n-[(2r)-2-({n~5~-[amino(iminio)methyl]-l-ornithyl-l-valyl}amino)-4-methylpentyl]-l-phenylalanyl-l-alpha-glutamyl-l-alanyl-l-norleucinamide
CCCCc1c(c(nn1c2ccccc2)CO)c3ccc(cc3C(=O)N4CCc5ccccc5C4)C(=O)NS(=O)(=O)CC[Si](C)(C)C	0Q5	4-[5-butyl-3-(hydroxymethyl)-1-phenyl-1h-pyrazol-4-yl]-3-(3,4-dihydroisoquinolin-2(1h)-ylcarbonyl)-n-{[2-(trimethylsilyl)ethyl]sulfonyl}benzamide
c1cc(cc(c1)Br)COc2ccc(cc2)C(=O)N	0Q6	4-[(3-bromophenyl)methoxy]benzamide
CN(CCCC(=O)c1cccnc1)N=O	0QA	4-[methyl(nitroso)amino]-1-(pyridin-3-yl)butan-1-one
	0QB	(2s)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-n~1~-{(1s,2s)-1-(cyclohexylmethyl)-2-hydroxy-2-[(3r)-1,5,5-trimethyl-2-oxopyrrolidin-3-yl]ethyl}-n~4~-[2-(dimethylamino)-2-oxoethyl]-n~4~-[(1s)-1-phenylethyl]butanediamide
CCl	0QE	chloromethane
CCS[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@H]([C@H](CC(C)C)O)O)NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)N3CCOCC3	0QF	n-[(1s)-2-{[(2s,3r,4s)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino}-1-(ethylsulfanyl)-2-oxoethyl]-nalpha-(morp holin-4-ylsulfonyl)-l-phenylalaninamide
	0QG	3-methyl-l-valyl-l-prolyl-l-isoleucine
	0QH	(1r)-1-benzyl-1-methyl-1-(2-{[4-(1-methylethyl)phenyl]amino}-2-oxoethyl)-2-{(2s)-4-methyl-2-[(trifluoroacetyl)amino]pentanoyl}diazanium
CC(C)C[C@H](CS)C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)O	0QI	o-methyl-n-[(2s)-4-methyl-2-(sulfanylmethyl)pentanoyl]-l-tyrosine
CC(C)(C)c1ccc(cc1)NC(=O)NCCCN(C)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	0QJ	5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(methyl)amino]-5'-deoxyadenosine
CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc4c3ncnc4N)O)O	0QK	7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-d-ribofuranosyl}-7h-pyrrolo[2,3-d]pyrimidin-4-amine
C(CSSC[C@@H](C(=O)O)N)N	0QL	3-[(2-aminoethyl)disulfanyl]-l-alanine
	0QN	n-(trifluoroacetyl)-l-valyl-n-[4-(trifluoromethyl)phenyl]-l-alaninamide
C[C@@H]1[C@@H]([C@@](N=C(S1)N)(C)c2cc(ccc2F)NC(=O)c3cc4c(cn3)OCCO4)F	0QQ	n-[3-[(4r,5r,6r)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide
c1cc(nc(c1)NS(=O)(=O)c2ccc(cc2)F)N	0QR	n-(6-aminopyridin-2-yl)-4-fluorobenzenesulfonamide
CC(C)(C)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N[C@@H](CC3CCCCC3)C(C(C(=O)NCCN4CCOCC4)(F)F)(O)O	0QS	n~2~-[(2r)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-n-{(1r)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1h-imidazol-3-ium-4-yl)-l-alaninamide
c1ccc2c(c1)c(c[nH]2)C(=S)N3CCC(CC3)O	0QV	(4-hydroxypiperidin-1-yl)(1h-indol-3-yl)methanethione
c1ccc(c(c1)C(=S)N2CCCC2)O	0QW	(2-hydroxyphenyl)(pyrrolidin-1-yl)methanethione
c1ccc2c(c1)c(c[nH]2)Cc3[nH]c4ccncc4n3	0QX	2-(1h-indol-3-ylmethyl)-1h-imidazo[4,5-c]pyridine
c1ccc2c(c1)c(c[nH]2)Cc3[nH]c4ccc(cc4n3)NC(=O)[C@@H]5CCCN5	0QY	n-[2-(1h-indol-3-ylmethyl)-1h-benzimidazol-5-yl]-l-prolinamide
C([C@H](C(=O)O)O)N	0QZ	d-isoserine
c1ccc(c(c1)C#N)O	0R0	2-hydroxybenzonitrile
c1ccc2c(c1)cno2	0R1	1,2-benzisoxazole
CC[C@@H](C(=O)OC(C)(C)C)N1[C@@H]([C@H](C[C@@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl	0R2	[(3r,5r,6s)-1-[(2s)-1-tert-butoxy-1-oxobutan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-2-oxopiperidin-3-yl]acetic acid
CC[C@@H]([C@H](C)O)N1[C@@H]([C@H](C[C@](C1=O)(C)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl	0R3	{(3r,5r,6s)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2s,3s)-2-hydroxypentan-3-yl]-3-methyl-2-oxopiperidin-3-yl}acetic acid
CC(=O)Nc1cccc(c1)c2ccc3c(n2)n(c(n3)c4cccnc4N)c5ccc(cc5)CNC(=O)c6cccc(c6)F	0R4	n-(4-{5-[3-(acetylamino)phenyl]-2-(2-aminopyridin-3-yl)-3h-imidazo[4,5-b]pyridin-3-yl}benzyl)-3-fluorobenzamide
C#Cc1ccc(cc1)C#CC2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	0R5	2'-deoxy-5-[(4-ethynylphenyl)ethynyl]uridine 5'-(tetrahydrogen triphosphate)
C#Cc1ccc(cc1)C#CC2=CN(C(=O)N=C2N)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	0R6	2'-deoxy-5-[(4-ethynylphenyl)ethynyl]cytidine 5'-(tetrahydrogen triphosphate)
C#Cc1ccc(cc1)C#CC2=CN(C(=O)N=C2N)[C@H]3CC[C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O	0R7	[[(2s,5r)-5-[4-azanyl-5-[2-(4-ethynylphenyl)ethynyl]-2-oxidanylidene-pyrimidin-1-yl]oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
C#Cc1ccc(cc1)C#CC2=CN(C(=O)N=C2N)[C@H]3CC[C@H](O3)COP(=O)(O)O	0R8	[(2s,5r)-5-{4-amino-5-[(4-ethynylphenyl)ethynyl]-2-oxopyrimidin-1(2h)-yl}tetrahydrofuran-2-yl]methyl dihydrogen phosphate
CCNC(=O)c1cc2c(c(cnc2[nH]1)c3cc(cnc3)C(=O)O)n4ccc(n4)C(F)(F)F	0R9	5-{2-(ethylcarbamoyl)-4-[3-(trifluoromethyl)-1h-pyrazol-1-yl]-1h-pyrrolo[2,3-b]pyridin-5-yl}pyridine-3-carboxylic acid
c1cc(cc(c1)c2cc3cc[nH]c3nc2)CCC(=O)O	0RA	3-[3-(1h-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanoic acid
c1c([nH]nn1)CNC(=O)c2cnc3c(n2)NC(=NC3=O)N	0RB	2-amino-4-oxo-n-(1h-1,2,3-triazol-5-ylmethyl)-1,4-dihydropteridine-7-carboxamide
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(CCN)O)O)O	0RC	5'-o-[(s)-{[(r)-(2-aminoethyl)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine
Cc1cc(cc2c1CCN2S(=O)(=O)c3cc(ccc3OC)Cl)C(=O)Nc4ccc(cc4)C(=O)O	0RD	4-[({1-[(5-chloro-2-methoxyphenyl)sulfonyl]-4-methyl-2,3-dihydro-1h-indol-6-yl}carbonyl)amino]benzoic acid
CCCC[C@@H](CO)O	0RE	(2s)-hexane-1,2-diol
C[C@@H]1C[C@H](c2c1c(ncn2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)c4ccc(cc4)Cl)O	0RF	(2s)-2-(4-chlorophenyl)-1-{4-[(5r,7r)-7-hydroxy-5-methyl-6,7-dihydro-5h-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl}-3-(propan-2-ylamino)propan-1-one
c1cc(cc(c1)n2c(cc(n2)C(F)(F)F)C(=O)Nc3cc(ccc3F)[C@@H](c4cccc(c4)C#N)NCC5CC5)CN	0RI	orladeyo
C([C@@H](C(=O)O)N)NC=O	0RJ	3-(formylamino)-l-alanine
Cc1cc(cc2c1CCN2S(=O)(=O)c3cc(ccc3OC)Cl)C(=O)Nc4ccc(c(c4)Cl)C(=O)O	0RK	2-chloro-4-[({1-[(5-chloro-2-methoxyphenyl)sulfonyl]-4-methyl-2,3-dihydro-1h-indol-6-yl}carbonyl)amino]benzoic acid
CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)c2c(cccc2OC)OC)C(=O)O)C	0RM	(2r,4s)-2-{(r)-carboxy[(2,6-dimethoxybenzoyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
CC1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)O)C	0RN	sulbactam
CCCc1cc2c(ncnc2s1)N3CCN(CC3)C4=NCC(S4)(C)C	0RO	4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-propylthieno[2,3-d]pyrimidine
CC[C@@H]1C[C@@H](c2cc(ccc2N1C(=O)OCC)C(F)(F)F)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)C(=O)OC	0RP	ethyl (2r,4s)-4-{[3,5-bis(trifluoromethyl)benzyl](methoxycarbonyl)amino}-2-ethyl-6-(trifluoromethyl)-3,4-dihydroquinoline-1(2h )-carboxylate
CC(=O)CCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	0RQ	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3r)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(4-oxidanylidenepentylamino)propyl]amino]butyl] hydrogen phosphate
c1cc(c(c(c1)Cl)CN2c3ccc(cc3/C(=C/4\C(=O)N(C(=S)S4)CCC(=O)O)/C2=O)Cl)Cl	0RR	3-{(5z)-5-[5-chloro-1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3h-indol-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid
CN(C)C1CCN(CC1)c2ccc3c(n2)nc([nH]3)C(=O)c4ccnc(c4)c5cncc6c5cccc6	0RS	{5-[4-(dimethylamino)piperidin-1-yl]-1h-imidazo[4,5-b]pyridin-2-yl}[2-(isoquinolin-4-yl)pyridin-4-yl]methanone
CC1(CN=C(S1)N2CCN(CC2)c3c4cc(sc4ncn3)CC(F)(F)F)C	0RT	4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
Cc1cccc2c1NC(=NC2=O)CSc3ncccn3	0RU	8-methyl-2-[(pyrimidin-2-ylsulfanyl)methyl]quinazolin-4(1h)-one
CC1=C(C(=N[C@H]1[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)N(C)C	0RV	(2s)-2-[(1s,2r)-1-carboxy-2-hydroxypropyl]-4-{[(3s,5s)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3-methyl-2h-pyrro le-5-carboxylic acid
Cc1c2ccccc2n[nH]1	0RW	3-methyl-2h-indazole
c1cc(ccc1NC(=O)c2ccnc(c2)N3CCOCC3)Oc4ccncc4	0RX	2-(morpholin-4-yl)-n-[4-(pyridin-4-yloxy)phenyl]pyridine-4-carboxamide
c1cc(cc(c1)NC(=O)/C=C\C(=O)O)C(=O)N	0RY	(2z)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid
c1cc(cc(c1)NC(=O)/C=C/C(=O)O)C(=O)N	0RZ	(2e)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid
c1cc(ccc1/N=N/C2=CC=C(NC2=O)O)S(=O)(=O)N	0S0	4-[(e)-(6-hydroxy-2-oxo-1,2-dihydropyridin-3-yl)diazenyl]benzenesulfonamide
Cc1ccc(cc1)S(=O)(=O)N[C@@H]2[C@H](C[C@@H]2O)CC=C	0S1	n-((1r,2s)-2-allyl-4-oxocyclobutyl)-4-methylbenzenesulfonamide, bound form
CC1CCC(CC1)C(=O)N(c2cc(sc2C(=O)O)C#CC(C)(C)C)C(C)C	0S2	5-(3,3-dimethylbut-1-yn-1-yl)-3-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}thiophene-2-carboxylic acid
CC1CCC(CC1)C(=O)N(c2cc(sc2C(=O)O)C#CC(C)(C)C)N(C)C	0S3	5-(3,3-dimethylbut-1-yn-1-yl)-3-{2,2-dimethyl-1-[(trans-4-methylcyclohexyl)carbonyl]hydrazinyl}thiophene-2-carboxylic acid
CCC(CC)(c1ccc(c(c1)C)OC[C@@H](C(C)(C)C)O)c2ccc(c(c2)C)OCC(=O)NO	0S4	n-hydroxy-2-{4-[3-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetamide
c1ccc(cc1)C(=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC3CCCC3)CN(C=O)O	0S5	n-benzoyl-1-[(2r)-3-cyclopentyl-2-{[formyl(hydroxy)amino]methyl}propanoyl]-l-prolinamide
Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)OC)c4ccc(cc4)Cl)C	0S6	methyl [(6s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate
Cc1cc([nH]n1)Nc2c(cnc(n2)NCCc3cccnc3)Br	0S7	5-bromo-n~4~-(3-methyl-1h-pyrazol-5-yl)-n~2~-[2-(pyridin-3-yl)ethyl]pyrimidine-2,4-diamine
Cc1cc(on1)CNc2ncc(c(n2)Nc3cc(n[nH]3)CCCOC)Br	0S8	5-bromo-n~4~-[3-(3-methoxypropyl)-1h-pyrazol-5-yl]-n~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
Cc1cc(on1)CNc2ncc(c(n2)Nc3cc(n[nH]3)CCc4ccccc4)Br	0S9	5-bromo-n~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-n~4~-[3-(2-phenylethyl)-1h-pyrazol-5-yl]pyrimidine-2,4-diamine
CCCCCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	0SA	undecyl 4-o-alpha-d-glucopyranosyl-1-thio-beta-d-glucopyranoside
c1cc(cc(c1)N2CCNCC2)c3cccc(n3)Nc4cc(ccn4)C(F)(F)F	0SB	n-{6-[3-(piperazin-1-yl)phenyl]pyridin-2-yl}-4-(trifluoromethyl)pyridin-2-amine
CC(C)(C1CCN(CC1)Cc2ccc3c(n2)c(nc(n3)c4c5cc[nH]c5ccc4F)N6CCOCC6)O	0SC	2-(1-{[2-(5-fluoro-1h-indol-4-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl}piperidin-4-yl)propan-2-ol
CC(C)(C1CCN(CC1)Cc2ccc3c(n2)c(nc(n3)c4cccc5c4c[nH]n5)N6CCOCC6)O	0SD	2-(1-{[2-(2h-indazol-4-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl}piperidin-4-yl)propan-2-ol
CC(C)(C1CCN(CC1)Cc2ccc3c(n2)c(nc(n3)c4cnc(nc4)N)N5CCOCC5)O	0SE	2-(1-{[2-(2-aminopyrimidin-5-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl}piperidin-4-yl)propan-2-ol
CCc1cc(ccc1Cl)Oc2ccnc(n2)N(Cc3cccc(c3)OC(C(F)F)(F)F)C[C@H](C(F)(F)F)O	0SF	(2r)-3-{[4-(4-chloro-3-ethylphenoxy)pyrimidin-2-yl][3-(1,1,2,2-tetrafluoroethoxy)benzyl]amino}-1,1,1-trifluoropropan-2-ol
CCCCCCCCCCCCCC=C[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COS(=O)(=O)O)O)OS(=O)(=O)O)O)NC(=O)CCCCCCCCCCC)O	0SG	n-{(2s,3r,4e)-1-[(3,6-di-o-sulfo-beta-d-galactopyranosyl)oxy]-3-hydroxyoctadec-4-en-2-yl}dodecanamide
CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	0SH	n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]hexadecanamide
c1ccc(cc1)COc2ccc3c(c2)-c4ccsc4NC3=O	0SI	8-phenylmethoxy-4~{h}-thieno[2,3-c]isoquinolin-5-one
c1cc(ccc1C(=O)N2C[C@@H]3C[C@H](C2)C4=CC=CC(=O)N4C3)Cl	0SJ	(1r,5s)-3-(4-chlorobenzoyl)-1,2,3,4,5,6-hexahydro-8h-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
C[C@H]1COC2(O1)CCN(CC2)C3=NC(=O)c4cc(cc(c4S3)NO)C(F)(F)F	0SK	8-(hydroxyamino)-2-[(2s)-2-methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-6-(trifluoromethyl)-4h-1,3-benzothiazin-4-one
c1ccc2cc(ccc2c1)S(=O)(=O)N3CCC[C@H](C3)C(=O)O	0SL	(3r)-1-(naphthalen-2-ylsulfonyl)piperidine-3-carboxylic acid
CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)OCC[N+](C)(C)C)[C@H](C)O	0SM	trimethyl-[2-[[(2s,3s)-2-(octadecanoylamino)-3-oxidanyl-butoxy]-oxidanyl-phosphoryl]oxyethyl]azanium
Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)CCCc3ccc(cc3)CC(C(=O)O)C(=O)O	0SN	{4-[4-({3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl}amino)-4-oxobutyl]benzyl}propanedioic acid
Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCCNC(=O)OC(C)(C)C	0SO	tert-butyl [3-({[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]carbamoyl}amino)propyl]carbamate
CCCSSCCCNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	0SP	2'-deoxy-n-[3-(propyldisulfanyl)propyl]adenosine 5'-(dihydrogen phosphate)
Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)N	0SQ	1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]urea
Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCCN3CCOCC3	0SR	1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-[3-(morpholin-4-yl)propyl]urea
Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCN3CCN(CC3)C(=O)Nc4cc(nn4c5ccc(cc5)C)C(C)(C)C	0SS	n-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-4-[2-({[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]carbamoyl}amino)ethyl]piperazine-1-carboxamide
Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCN3CCOCC3	0ST	1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-[2-(morpholin-4-yl)ethyl]urea
Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCO	0SU	1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-(2-hydroxyethyl)urea
Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCCCCO	0SV	1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-(5-hydroxypentyl)urea
c1ccc(cc1)CCNc2c3ccccc3ncn2	0SW	n-(2-phenylethyl)quinazolin-4-amine
c1cc2c(cc1Cl)c3c(o2)C(=O)NC(=N3)[C@@H]4CCCN4	0SX	8-chloro-2-[(2s)-pyrrolidin-2-yl][1]benzofuro[3,2-d]pyrimidin-4(3h)-one
c1cnccc1c2cc3c([nH]2)CCNC3=O	0SY	2-(pyridin-4-yl)-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one
c1ccc2c(c1)CCN(C2)S(=O)(=O)c3cccc(c3)C(=O)O	0SZ	3-(3,4-dihydroisoquinolin-2(1h)-ylsulfonyl)benzoic acid
CNC(=O)c1cccc(c1)S(=O)(=O)N2CCc3ccccc3C2	0T0	3-(3,4-dihydroisoquinolin-2(1h)-ylsulfonyl)-n-methylbenzamide
CCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	0T1	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3r)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(propylamino)propyl]amino]butyl] hydrogen phosphate
CC(C)(C#N)Oc1cccc(c1Cl)C(=O)Nc2cc(ccc2F)N(C)c3ccc4c(n3)sc(n4)NC(=O)C5CC5	0T2	2-chloro-3-[(2-cyanopropan-2-yl)oxy]-n-{5-[{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}(methyl)amino]-2-fluorophenyl}benzamide
c1cc(ccc1C#N)[C@H]2CCCc3n2cnc3	0T3	4-[(5r)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile
CC(c1ccccc1)NC(=O)c2cc(cc(c2)NO)C(F)(F)F	0T4	3-(hydroxyamino)-n-[(1r)-1-phenylethyl]-5-(trifluoromethyl)benzamide
CC(c1ccccc1)NC(=O)c2cc(cc(c2)[N+](=O)[O-])C(F)(F)F	0T5	3-nitro-n-[(1r)-1-phenylethyl]-5-(trifluoromethyl)benzamide
Cc1c2nnc3c(n2c(n1)c4ccccc4Cl)cc(cc3OC)OC	0T6	1-(2-chlorophenyl)-6,8-dimethoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine
CCCc1nc(c2n1c3ccc(cc3nc2C)OCc4ccc5ccccc5n4)C	0T7	3,4-dimethyl-1-propyl-7-(quinolin-2-ylmethoxy)imidazo[1,5-a]quinoxaline
c1cnccc1CCNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O	0T8	4-(cyclopentylamino)-n-[3-(2-oxopyrrolidin-1-yl)propyl]-2-{[2-(pyridin-4-yl)ethyl]amino}pyrimidine-5-carboxamide
CC[C@H](C)CCC(=O)[C@@H](C)[C@H]1C(=O)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C	0T9	 (3s,8s,9s,10r,13s,14s,17r)-3-hydroxy-10,13-dimethyl-17-[(2s,6s)-6-methyl-3-oxooctan-2-yl]-1,2,3,4,7,8,9,10,11,12,13,14,15,17-tetradecahydro-16h-cyclopenta[a]phenanthren-16-one
Cc1c2c(nc(n1)N)N(C(=O)C(=C2)c3c[nH]nc3)C4CCCC4	0TA	2-amino-8-cyclopentyl-4-methyl-6-(1h-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-7(8h)-one
Cc1c2c(nc(n1)N)N(C(=O)C(=C2)c3cc(c(nc3)OC)F)N4CCCC4	0TB	2-amino-6-(5-fluoro-6-methoxypyridin-3-yl)-4-methyl-8-(pyrrolidin-1-yl)pyrido[2,3-d]pyrimidin-7(8h)-one
CS[C@@H]([C@@H](C(=O)O)N)C(=O)O	0TD	(3s)-3-(methylsulfanyl)-l-aspartic acid
CSC1=NN2C(=C3C=CC=CN3[Cu]2(S1)Cl)c4ccccn4	0TE	chloro{methyl hydrogenato(3-)-kappa~2~n,s [pyridin-2-yl(pyridin-2(1h)-ylidene-kappan)methyl]carbonodithiohydrazonate}copper
C(CCNC(=O)[C@@H](CCCN)N)C[C@@H](C(=O)O)N	0TF	n~6~-d-ornithyl-l-lysine
CCCS(=O)(=O)N[C@H]([C@H](C)O)C(=O)O	0TH	n-(propylsulfonyl)-d-threonine
c1cc2c(cc1F)[C@H](C(=O)N2)O	0TI	(3r)-5-fluoro-3-hydroxy-1,3-dihydro-2h-indol-2-one
c1nc2c(n1CC(=O)NCCCCCC=O)c(c(c(c2Br)Br)Br)Br	0TJ	n-(6-oxohexyl)-2-(4,5,6,7-tetrabromo-1h-benzimidazol-1-yl)acetamide
C(C[C@H](C(=O)OP(=O)(O)O)N)CN	0TK	(2r)-2,5-diaminopentanoyl dihydrogen phosphate
c1nc(c2c(n1)n(cn2)[C@]3([C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)CO)N	0TL	[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
CN(C)C(=O)CSc1nc(c2c(c[nH]c2n1)C#N)c3cc(c(cc3Cl)OC)OC	0TM	2-{[4-(2-chloro-4,5-dimethoxyphenyl)-5-cyano-7h-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl}-n,n-dimethylacetamide
c1ccc2c(c1)nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]78([N]5=CC=C4)([N]9=CC=Cc1c9c2c(cc1)C=CC=[N]72)[N]1=CC=Cc2c1c1c(cc2)C=CC=[N]81	0TN	delta-ru(phen)2(dppz) complex
COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)Cl	0TO	n-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine
CNC(=O)c1cnc(c2c1sc(c2)c3ccc(cc3)N4CCOCC4)N	0TP	4-amino-n-methyl-2-[4-(morpholin-4-yl)phenyl]thieno[3,2-c]pyridine-7-carboxamide
CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)/C(=C(\C)/NC)/C(=O)N5	0TQ	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[({(3z)-3-[1-(methylamino)ethylidene]-2-oxo-2,3-dihydro-1h-indol-5-yl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate
C1=CC=C(C(=O)C=C1)O	0TR	2-hydroxycyclohepta-2,4,6-trien-1-one
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)S[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)O)S)CO)CO)CO)CO)O)O)O)O	0TS	beta-d-glucopyranosyl-(1->4)-4-thio-beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-4-thio-beta-d-glucopyrano  syl-(1->4)-1-thio-beta-d-glucopyranose
C[C@]1(CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O)CC3=CN(C(=O)NC3=O)[C@H]4C[C@@H]([C@H](O4)CO)O	0TT	1-[(2r,4s,5r)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-[[(5r)-1-[(2r,4s,5r)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-methyl-2,4-bis(oxidanylidene)-1,3-diazinan-5-yl]methyl]pyrimidine-2,4-dione
c1cc2c(cc1Cl)C=CC(=O)N2	0TU	6-chloroquinolin-2(1h)-one
CCN(CC)CCC[C@H](C)Nc1ccnc2c1ccc(c2)Cl	0TX	(4s)-n~4~-(7-chloroquinolin-4-yl)-n~1~,n~1~-diethylpentane-1,4-diamine
Cc1nc(nc(n1)N)c2c(nc3n2cccc3)Nc4ccn[nH]4	0TZ	3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-n-(1h-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
C1=CN(C(=O)NC1=O)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)(O)O)O)O	0U	l-uridine-5'-monophosphate
Cc1nc(cc(n1)Nc2cnccn2)c3c(nc4n3nccc4)Nc5cc[nH]n5	0U0	3-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]-n-(1h-pyrazol-3-yl)imidazo[1,2-b]pyridazin-2-amine
C[Se][C@H]1[C@H]([C@@H](O[C@@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O	0U1	2'-methylselenyl-2'-deoxy-l-uridine-5'-monophosphate
CCC(CC)(c1ccc(c(c1)C)OC[C@H](C(C)(C)C)O)c2ccc(c(c2)C)OCC(=O)NO	0U3	n-hydroxy-2-{4-[3-(4-{[(2s)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetamide
C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCCC4CCN(CC4)Cc5ccccc5)O	0U4	n-[(2s,3r)-4-{[2-(1-benzylpiperidin-4-yl)ethyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-n'-[(1r)-1-phenylethyl]benzene-1,3-dicarboxamide
CCCc1c(c(nc(n1)N)N)Cc2cc(c(c(c2)OC)OC)/C=C/C(=O)N3C(c4ccccc4C=N3)C=C(C)C	0U5	(2e)-3-{5-[(2,4-diamino-6-propylpyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1h)-yl]prop-2-en-1-one
CCc1c(c(nc(n1)N)N)Cc2cc(c(c(c2)OC)OC)/C=C/C(=O)N3[C@H](c4ccccc4C=N3)C=C(C)C	0U6	(2e)-3-{5-[(2,4-diamino-6-ethylpyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1h)-yl]prop-2-en-1-one
c1cc(cc(c1)S(=O)(=O)F)c2nnc(o2)c3cc(cc(c3)Cl)Cl	0U7	3-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride
C1[C@@H]2[C@H]([C@@H]([C@@](O2)(OC[C@@H]3[C@H]([C@@H]([C@](O1)(O3)CO)O)O)CO)O)O	0U8	(1r,4r,5s,6s,7r,10r,11s,12s)-1,7-bis(hydroxymethyl)-2,8,13,14-tetraoxatricyclo[8.2.1.1~4,7~]tetradecane-5,6,11,12-tetrol
C[C@@](CS(=O)(=O)c1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O	0U9	s-bicalutamide
c1cc(cc(c1)S(=O)(=O)F)c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl	0UA	3-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride
C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OC[C@@H]2[C@H]([C@@H]([C@](O2)(CO)OC[C@@H]3[C@H]([C@@H]([C@](O3)(CO)O)O)O)O)O)O)O)O	0UB	beta-d-fructofuranosyl-(2->6)-beta-d-fructofuranosyl-(2->6)-beta-d-fructofuranose
c1cc(c(cc1S(=O)(=O)F)c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl)Br	0UC	4-bromo-3-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride
[H]/N=C(\NCC)/NC(=O)Nc1c(cccc1C(C)C)C(C)C	0UD	n-[2,6-di(propan-2-yl)phenyl]-n'-(n-ethylcarbamimidoyl)urea
CC1=O[Fe]2345O=C(CCC(=O)NCCCCCN1O2)N(O3)CCCCCNC(=O)CCC(=O4)N(O5)CCCCCN	0UE	ferrioxamine b
CCCCN1C(=O)C(=CC=CC=C2N(c3ccccc3O2)CCCS(=O)(=O)O)C(=O)N(C1=S)CCCC	0UF	3-[(2e)-2-[(2z)-4-(1,3-dibutyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2h)-ylidene)but-2-en-1-ylidene]-1,3-benzoxazol-3(2h)-yl]propane-1-sulfonic acid
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(NC(=O)N=C32)N)COP(=O)(O)O)O	0UH	2'-deoxy-2-oxoadenosine 5'-(dihydrogen phosphate)
c1cc2c(cc1O)-c3ccsc3NC2=O	0UI	8-oxidanyl-4~{h}-thieno[2,3-c]isoquinolin-5-one
CS(=O)(=O)NCc1nc2cnc3c(c2n1[C@@H]4C[C@H]5CC[C@@H]4C5)cc[nH]3	0UJ	n-({1-[(1r,2r,4s)-bicyclo[2.2.1]hept-2-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl}methyl)methanesulfonamide
C[C@@H]1[C@@H]2[C@@H](C(/C(=C/C3=N/C(=C(\C4=N[C@@]([C@H]5[C@@H]([C@@](C1=N5)(C)CCC(=O)O)CC(=O)O)([C@@]([C@@H]4CCC(=O)O)(C)CC(=O)O)C)/C)/[C@@]([C@@H]3CCC(=O)O)(C)CC(=O)O)/N2)(C)C)CCC(=O)O	0UK	3-[(1r,2r,3r,5r,6s,7r,9z,12s,13s,14z,17s,18s,19r)-2,13,18-tris(2-hydroxy-2-oxoethyl)-3,12,17-tris(3-hydroxy-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-1,2,5,6,7,12,17,22-octahydrocorrin-7-yl]propanoic acid
c1ccc(cc1)c2cn3c(cn2)nc(n3)N	0UL	6-phenyl[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CCCN[C@@H](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	0UM	(2s,5s)-2-amino-6-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-(propylamino)hexanoic acid
CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Oc4cccc(c4)NC(=O)C=C)Cl	0UN	n-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide
COc1cccc2c1c(c[nH]2)C[C@@H](C(=O)O)N	0UO	4-methoxy-l-tryptophan
C[C@H]1C[C@]2(CCN1Cc3ccc(c(c3)OC(C)C)O)CN(S(=O)(=O)N2c4cccc(c4)F)C	0UP	4-{[(5r,7s)-1-(3-fluorophenyl)-3,7-dimethyl-2,2-dioxido-2-thia-1,3,8-triazaspiro[4.5]dec-8-yl]methyl}-2-(propan-2-yloxy)phenol
C[C@H]1C[C@]2(CCN1Cc3cccc(c3)OC(C)C)CN(S(=O)(=O)N2c4cccc(c4)F)C	0UQ	(5r,7s)-1-(3-fluorophenyl)-3,7-dimethyl-8-[3-(propan-2-yloxy)benzyl]-2-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide
CCCCCCCCC/C=C\C(=O)OC/C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@H]1C(=C[C@@H](CC1(C)C)O)C)\C)/C(=O)CC2=C(C[C@H](CC2(C)C)O)C	0UR	siphonein
C=CCNS(=O)(=O)c1cccc(c1)C(=O)Nc2nc3cc(ccc3n2C4CCC(CC4)CO)CN5CCCCC5	0US	n-{1-[cis-4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)-1h-benzimidazol-2-yl}-3-(prop-2-en-1-ylsulfamoyl)benzamide
c1ccc(cc1)C(c2ccccc2)(C(=O)O)O	0UT	hydroxy(diphenyl)acetic acid
COC(=O)C1CCC(CC1)n2c3cc(ccc3nc2NC(=O)c4ccccc4)CN5CCCCC5	0UU	methyl cis-4-[2-(benzoylamino)-6-(piperidin-1-ylmethyl)-1h-benzimidazol-1-yl]cyclohexanecarboxylate
CC(C)NC(=O)C1CCC(CC1)N\2c3cc(ccc3N/C2=N\C(=O)c4ccc(cc4)F)CN5CCC(CC5)C(C)(C)O	0UV	4-fluoro-n-{(2e)-6-{[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl}-1-[cis-4-(propan-2-ylcarbamoyl)cyclohexyl]-1,3-dihydro-2h-benzimidazol-2-ylidene}benzamide
c1ccc(cc1)C2=NNC(=O)N2	0UW	5-phenyl-2,4-dihydro-3h-1,2,4-triazol-3-one
CNc1[nH]c2cc3c(c(c2n1)CCNCC45CC6CC(C4)CC(C6)C5)N=C(NC3=O)N	0UX	6-amino-2-(methylamino)-4-(2-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylmethyl]amino}ethyl)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
c1cc(c(cc1[C@H](C(=O)O)N)Cl)O	0UZ	(2r)-amino(3-chloro-4-hydroxyphenyl)ethanoic acid
CCOc1cc(ccc1C[NH3+])OCC#Cc2ccc3ccncc3c2	0V0	(2-ethoxy-4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}phenyl)methanaminium
C(CO)[C@@H](CO)O	0V1	(2~{s})-butane-1,2,4-triol
CNc1[nH]c2cc3c(c(c2n1)CCNCC4CCC(CC4)C#Cc5ccc(cc5)c6ccccc6)N=C(NC3=O)N	0V2	6-amino-4-[2-({[trans-4-(biphenyl-4-ylethynyl)cyclohexyl]methyl}amino)ethyl]-2-(methylamino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
CNc1[nH]c2cc3c(c(c2n1)CCNCC4CCC(CC4)C#Cc5cccnc5)N=C(NC3=O)N	0V3	6-amino-2-(methylamino)-4-[2-({[trans-4-(pyridin-3-ylethynyl)cyclohexyl]methyl}amino)ethyl]-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(C)C)C)COC	0V4	(4r,5r,6r,6as,9s,9ae,10ar)-5-hydroxy-9-(methoxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl alpha-d-glucopyranoside
C[C@H](C(=O)O)OP(=O)(O)O	0V5	(2r)-2-(phosphonooxy)propanoic acid
[H]/N=C\1/NC(CC(=O)N1C)(C)c2c(cc(s2)c3cc(cnc3)C#CC)Cl	0V6	(2z,6s)-6-{3-chloro-5-[5-(prop-1-yn-1-yl)pyridin-3-yl]thiophen-2-yl}-2-imino-3,6-dimethyltetrahydropyrimidin-4(1h)-one
c1cc(cc(c1)F)CNCCS(=O)(=O)O	0V7	2-[(3-fluorobenzyl)amino]ethanesulfonic acid
c1cc(cc(c1)Br)CNCCS(=O)(=O)O	0V8	2-[(3-bromobenzyl)amino]ethanesulfonic acid
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCC	0V9	(19r,22s)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (9z)-hexadec-9-enoate
[H]/N=C(/NCc1cc(c(c(c1)Cl)N)Cl)\NC(=O)c2c(snc2c3ccc(cc3)OC)C	0VA	n-[n-(4-amino-3,5-dichlorobenzyl)carbamimidoyl]-3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxamide
[H]/N=C(\NCc1cc(c(c(c1)Cl)NC(=O)C)C)/NC(=O)c2c(snc2c3ccc(cc3)OC)C	0VB	n-{n-[4-(acetylamino)-3-chloro-5-methylbenzyl]carbamimidoyl}-3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxamide
COCC[C@H]1C[C@@H]1c2cc(cnc2)OC[C@@H]3CCN3	0VC	3-[(2s)-azetidin-2-ylmethoxy]-5-[(1s,2r)-2-(2-methoxyethyl)cyclopropyl]pyridine
c1ccc(cc1)COc2ccc(cc2)CC(=O)[C@H](Cc3c[nH]cn3)N	0VD	(3s)-3-amino-1-[4-(benzyloxy)phenyl]-4-(1h-imidazol-4-yl)butan-2-one
CCN(CCO)c1ccc(cc1)Nc2c3nccn3c(cn2)c4cccc(c4)O	0VE	3-[8-({4-[ethyl(2-hydroxyethyl)amino]phenyl}amino)imidazo[1,2-a]pyrazin-5-yl]phenol
COc1ccc(cc1OC)Nc2c3c(nc(n2)N4CC[C@@H](C4)NC(=O)c5ccc(cc5)C(=O)O)scn3	0VF	4-{[(3s)-1-{7-[(3,4-dimethoxyphenyl)amino][1,3]thiazolo[5,4-d]pyrimidin-5-yl}pyrrolidin-3-yl]carbamoyl}benzoic acid
C[C@H]1CCCN1c2cccc(n2)Nc3cc(nn4c3ncc4)c5ccccc5	0VG	n-{6-[(2s)-2-methylpyrrolidin-1-yl]pyridin-2-yl}-6-phenylimidazo[1,2-b]pyridazin-8-amine
CCc1cccc(n1)Nc2cc(nnc2C(=O)N)N[C@@H]3CCCC[C@@H]3N	0VH	6-{[(1r,2s)-2-aminocyclohexyl]amino}-4-[(6-ethylpyridin-2-yl)amino]pyridazine-3-carboxamide
CC1=N[N]2=C(C1c3c(cc(cc3OC)Br)OC)N=C(N=C2N(CCCC(F)(F)F)CCCC(F)(F)F)C	0VI	7-(4-bromanyl-2,6-dimethoxy-phenyl)-4,8-dimethyl-~{n},~{n}-bis[4,4,4-tris(fluoranyl)butyl]-1$l^{4},3,5,9-tetrazabicyclo[4.3.0]nona-1(6),2,4,8-tetraen-2-amine
COc1ccc(cc1)CC2=C(C(=O)c3ccccc3C2=O)O	0VJ	2-hydroxy-3-(4-methoxybenzyl)naphthalene-1,4-dione
CCCc1cc(ccc1c2cc(ccc2C)OCc3ccc(c(c3)CO)CO)C(CC)(CC)O	0VK	3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-methyl-2-propylbiphenyl-4-yl)pentan-3-ol
CC(C)(C1=NC(=C(C(=O)N1)O)C(=O)NCCc2ccncc2)NC(=O)OCc3ccccc3	0VL	benzyl {2-[(5s)-5-hydroxy-4-oxo-6-{[2-(pyridin-4-yl)ethyl]carbamoyl}-4,5-dihydropyrimidin-2-yl]propan-2-yl}carbamate
c1cc(c(nc1)Oc2ccc(cc2)Nc3[nH]c4cc(ccc4n3)C#N)C(F)(F)F	0VM	2-[(4-{[3-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]-1h-benzimidazole-6-carbonitrile
CC(C)(C)c1ccc(cc1)Nc2[nH]c3cc(ccc3n2)C#N	0VN	2-[(4-tert-butylphenyl)amino]-1h-benzimidazole-6-carbonitrile
CCC(=CC=CC(CC)(CC)O)c1cccc(c1)OCc2ccc(c(c2)CO)CO	0VO	(4e,6z)-7-(3-{[3,4-bis(hydroxymethyl)benzyl]oxy}phenyl)-3-ethylnona-4,6-dien-3-ol
CCCc1cc(ccc1c2cc(ccc2CC)OCc3ccc(c(c3)CO)CO)C(CC)(CC)O	0VP	3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-ethyl-2-propylbiphenyl-4-yl)pentan-3-ol
CC/C(=C\C=C\C(C(F)(F)F)(C(F)(F)F)O)/c1cccc(c1)CCc2ccc(c(c2)CO)CO	0VQ	(3e,5e)-6-(3-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}phenyl)-1,1,1-trifluoro-2-(trifluoromethyl)octa-3,5-dien-2-ol
c1ccc(c(c1)C(=O)O)NC[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	0VR	1-(o-carboxy-phenylamino)-1-deoxy-d-ribulose-5-phosphate
CC1=C(C(=O)c2ccccc2C1=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	0VS	l-gamma-glutamyl-s-(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-l-cysteinylglycine
CC(=CCCC(=O)C)C	0VT	6-methylhept-5-en-2-one
c1cc(cc(c1)C(=O)N2CCCCC2)c3ccnc(n3)Nc4ccc(cc4)S(=O)(=O)N	0VU	4-({4-[3-(piperidin-1-ylcarbonyl)phenyl]pyrimidin-2-yl}amino)benzenesulfonamide
c1ccc2c(c1)CN/C(=N\S(=O)(=O)N)/N2	0VV	n-[(2e)-3,4-dihydroquinazolin-2(1h)-ylidene]sulfuric diamide
C1CNC(=NS(=O)(=O)N)NC1	0VW	n-(tetrahydropyrimidin-2(1h)-ylidene)sulfuric diamide
C1CO/C(=N\S(=O)(=O)N)/N1	0VX	n-[(2z)-1,3-oxazolidin-2-ylidene]sulfuric diamide
C1CCN(C1)/C(=N/S(=O)(=O)N)/N	0VY	n'-sulfamoylpyrrolidine-1-carboximidamide
CCOC(=O)[C@@H]1CS/C(=N\S(=O)(=O)N)/N1	0VZ	ethyl (2z,4r)-2-(sulfamoylimino)-1,3-thiazolidine-4-carboxylate
CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@@H](CNC(=O)c2cc(no2)C3=CC(=O)C(=CN3O)O)NS(=O)(=O)O	0W0	(4r,5s,8z)-8-(2-amino-1,3-thiazol-4-yl)-1-[3-(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)-1,2-oxazol-5-yl]-5-formyl-11,11-dimethyl-1,7-dioxo-4-(sulfoamino)-10-oxa-2,6,9-triazadodec-8-en-12-oic acid
Cc1c2cc(sc2n(n1)C)C(=O)O	0W1	1,3-dimethyl-1h-thieno[2,3-c]pyrazole-5-carboxylic acid
C[C@@H](C(=O)N1CC[C@@H](N1c2ccccc2F)c3ccccc3Cl)NC(=O)NC4C5CC6CC(C5)CC4C6	0W2	1-{(2s)-1-[(3r)-3-(2-chlorophenyl)-2-(2-fluorophenyl)pyrazolidin-1-yl]-1-oxopropan-2-yl}-3-[(1r,3s,5r,7r)-tricyclo[3.3.1.1~3,7~]dec-2-yl]urea
C[C@H](CCC(=O)O)C[C@H](C)C[C@H](C)C(=O)CC(=O)[C@H](C)C[C@H](C)C/C=C\[C@@H](C)[C@H]([C@@H](C)[C@H](C[C@@H]1CC[C@@](O1)(C)[C@H]2CC[C@@](O2)(C)[C@@H](C)O)O)O	0W3	(4r,6s,8s,12r,14r,16z,18r,19r,20s,21s)-19,21-dihydroxy-22-{(2s,2'r,5s,5's)-5'-[(1r)-1-hydroxyethyl]-2,5'-dimethyloctahydro-2,2'-bifuran-5-yl}-4,6,8,12,14,18,20-heptamethyl-9,11-dioxodocos-16-enoic acid
c1ccc(c(c1)CNc2c(nccn2)C(=O)NCc3ccccc3Cl)Cl	0W4	~{n}-[(2-chlorophenyl)methyl]-3-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide
CC(C)CCCCC/C=C/C=C/C(=O)O	0W5	(2e,4e)-11-methyldodeca-2,4-dienoic acid
C[C@@H](CCC(=O)O)N	0W6	(4s)-4-aminopentanoic acid
c1ccc(cc1)NC(=O)CC2=NC(=CC(=O)N2)N3CCOCC3	0W7	2-[4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]-n-phenylacetamide
CCN1c2ccccc2NC1=O	0W8	1-ethyl-1,3-dihydro-2h-benzimidazol-2-one
c1cc(c(cc1F)Nc2nc(cs2)c3ccncc3)O	0WA	4-fluoro-2-{[4-(pyridin-4-yl)-1,3-thiazol-2-yl]amino}phenol
c1cc(cc(c1)c2csc(n2)Nc3cc(ccc3O)F)C#N	0WB	3-{2-[(5-fluoro-2-hydroxyphenyl)amino]-1,3-thiazol-4-yl}benzonitrile
C[C@@](C#Cc1ccc2c(c1)N(CC2)c3c(cnc(n3)N)Cl)(c4nccs4)O	0WC	(2r)-4-[1-(2-amino-5-chloropyrimidin-4-yl)-2,3-dihydro-1h-indol-6-yl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)OP(=O)(O)O)O)N	0WD	[[(2r,3s,4r,5r)-5-(3-aminocarbonyl-4h-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate
Cc1c2ccccc2oc1CN(C)C(=O)CCc3cc4c(nc3)NC(=O)CC4	0WE	n-methyl-n-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)propanamide
C[C@H](C1=Nc2c(cnn2C3CCCC3)C(=O)N1)N4CC(C4)Oc5ccccc5	0WF	1-cyclopentyl-6-[(1r)-1-(3-phenoxyazetidin-1-yl)ethyl]-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
CN1c2c(c(c(c(n2)N)CN)c3ccccc3Br)C(=O)N(C1=O)C	0WG	7-amino-6-(aminomethyl)-5-(2-bromophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4(1h,3h)-dione
Cn1cc(c2c1ncnc2N)c3ccc4c(c3)CCN4C(=O)Cc5cccc(c5)C(F)(F)F	0WH	1-[5-(4-amino-7-methyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1h-indol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
C1[C@@H]([C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)O	0WK	1,5-anhydro-6-o-phosphono-d-glucitol
C[C@H](C1=Nc2c(cnn2C3CCCC3)C(=O)N1)N4CC(C4)c5ncccn5	0WL	1-cyclopentyl-6-{(1r)-1-[3-(pyrimidin-2-yl)azetidin-1-yl]ethyl}-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F	0WM	(2e)-n-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3s)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide
CN(C)CCCC(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F	0WN	n-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3s)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide
Cc1c(c(no1)c2ccccc2)C(=O)N[C@@H]([C@@H]3N[C@H](C(S3)(C)C)C(=O)O)C(=O)O	0WO	(2r,4s)-2-[(r)-carboxy{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carbo xylic acid
CC(C)(C#N)c1cccc(c1)C(=O)Nc2ccc(c(c2F)C(=O)Nc3cc4c([nH]nc4nc3)OC)F	0WP	3-{[3-(2-cyanopropan-2-yl)benzoyl]amino}-2,6-difluoro-n-(3-methoxy-2h-pyrazolo[3,4-b]pyridin-5-yl)benzamide
C[C@@H](/C=N\O)c1cccc(c1)Br	0WQ	z-2-(3-bromophenyl) propanal oxime
CC(C)(C1CCN(CC1)Cc2nc3c(n2C)nc(nc3N4CCOCC4)n5c6ccccc6nc5N(C)C)O	0WR	2-[1-({2-[2-(dimethylamino)-1h-benzimidazol-1-yl]-9-methyl-6-(morpholin-4-yl)-9h-purin-8-yl}methyl)piperidin-4-yl]propan-2-ol
c1c[nH]nc1c2cc(ccn2)C(=O)O	0WS	2-(1h-pyrazol-3-yl)pyridine-4-carboxylic acid
CCc1c(c2c([nH]1)nc(nc2N3C[C@@H]4[C@H](C3)C4N)Oc5cncnc5)Cl	0WT	(1r,5s,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-yloxy)-7h-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine
CC1=CC[C@@H](CC1=O)C(=C)C	0WU	(5s)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one
Cc1ccc(cc1O)C(=C)C	0WV	2-methyl-5-(prop-1-en-2-yl)phenol
c1cc(sc1)CNc2[nH]c3c(n2)cc4c(c3CCNCC5CCCCC5)N=CNC4=O	0WW	4-{2-[(cyclohexylmethyl)amino]ethyl}-2-[(thiophen-2-ylmethyl)amino]-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
c1c2c(c(c3c1nc([nH]3)NCCN4CCOCC4)CCNCC5CCCCC5)N=CNC2=O	0WX	4-{2-[(cyclohexylmethyl)amino]ethyl}-2-{[2-(morpholin-4-yl)ethyl]amino}-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
c1ccc(cc1)CCNc2[nH]c3c(n2)cc4c(c3CCNCC5CCCCC5)N=C(NC4=O)N	0WY	6-amino-4-{2-[(cyclohexylmethyl)amino]ethyl}-2-[(2-phenylethyl)amino]-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
c1cnn(c1)c2cc(ccc2O)C[C@@H](C(=O)O)N	0WZ	3-(1h-pyrazol-1-yl)-l-tyrosine
Cc1ccc(cc1)S(=O)(=O)[N@@](CC(=O)NC(C(C)C)C(C)C)c2ccc(c(c2)OC)OC	0X0	2-[(3,4-dimethoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-n-(2,4-dimethylpentan-3-yl)ethanamide
Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3cc(ccc3N4C2=NNC4=O)Oc5ccccc5)O	0X1	(5-hydroxy-6-methyl-4-{[(1-oxo-7-phenoxy-1,2-dihydro[1,2,4]triazolo[4,3-a]quinolin-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate
c1cc(c(c(c1)Cl)C(=O)NC2=CC(=O)N=CC2)Cl	0X2	2,6-dichloro-n-(2-oxo-2,5-dihydropyridin-4-yl)benzamide
c1cc(c(c2c1non2)[N+](=O)[O-])Nc3cc(cc(c3)Cl)F	0X3	n-(3-chloro-5-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
c1cc(c(c(c1)Cl)C(=O)Nc2ccnc(c2)NC(=O)C3CC3)Cl	0X5	2,6-dichloro-n-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide
c1cnc(cc1NC(=O)c2c(cc(cc2Cl)C#N)Cl)NC(=O)C3CC3	0X6	2,6-dichloro-4-cyano-n-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide
Cc1ccccc1CNc2c(nccn2)C(=O)N	0X7	3-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide
CC(=CCc1c2c(cc(c1OC)O)Oc3cc4c(c(c3C2=O)OC/C=C/C(=O)O)C=CC(O4)(C)C)C	0X8	(~{e})-4-[8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-9-oxidanyl-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid
[H]/N=C(\N)/NCCC[C@@H](C(=O)O)NS(=O)(=O)N	0X9	n~2~-sulfamoyl-l-arginine
Cc1cc2cc(c1)C(=O)N[C@@H](COC/C=C/CCCC2=O)[C@@H](CNC(C)(C)c3ncc(o3)C(C)(C)C)O	0XA	(4s,8e)-4-[(1r)-2-{[2-(5-tert-butyl-1,3-oxazol-2-yl)propan-2-yl]amino}-1-hydroxyethyl]-16-methyl-6-oxa-3-azabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione
c1cc(cc(c1)F)Nc2ccc3c(c2[N+](=O)[O-])non3	0XB	n-(3-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
[H]/N=C(\CCCCN)/C(=O)O	0XC	(2e)-6-amino-2-iminohexanoic acid
[H]/N=C(\CCSC)/C(=O)O	0XD	(2e)-2-imino-4-(methylsulfanyl)butanoic acid
c1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O2	0XE	5,6-dihydroxy-4-oxo-2-phenyl-4h-chromen-7-yl beta-d-glucopyranosiduronic acid
Cc1ccc(nc1C)Nc2cc(nnc2C(=O)N)N[C@@H]3CCCC[C@@H]3N	0XF	6-{[(1r,2s)-2-aminocyclohexyl]amino}-4-[(5,6-dimethylpyridin-2-yl)amino]pyridazine-3-carboxamide
CN(C)C(=O)c1ccc(cc1)Nc2ncc(c(n2)OC)c3cc(cs3)C(=O)O	0XG	5-(2-{[4-(dimethylcarbamoyl)phenyl]amino}-4-methoxypyrimidin-5-yl)thiophene-3-carboxylic acid
c1cc(c(c(c1)Cl)C(=O)Nc2ccnc(c2)NC(=O)[C@H]3C[C@H]3F)Cl	0XH	2,6-dichloro-n-[2-({[(1r,2r)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide
C/C(=C\COP(=O)(O)O)/c1ccccc1	0XI	(2e)-3-phenylbut-2-en-1-yl dihydrogen phosphate
CCC#CCO[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@]3(CC[C@@H]2[C@@]4(C1=CC(=O)C=C4)C)C	0XJ	(6alpha,8alpha)-6-(pent-2-yn-1-yloxy)androsta-1,4-diene-3,17-dione
CCC(CC)(C(=O)O)N	0XL	2-amino-2-ethylbutanoic acid
c1ccc(cc1)C(c2ccccc2)N	0XM	1,1-diphenylmethanamine
c1cc(ccc1C(c2ccc(cc2)F)N)F	0XN	1,1-bis(4-fluorophenyl)methanamine
C[C@@](CCCCN)(C(=O)O)N	0XO	2-methyl-d-lysine
c1cnc(cc1NC(=O)c2c(cc(cc2Cl)C#N)Cl)NC(=O)[C@H]3C[C@H]3F	0XP	2,6-dichloro-4-cyano-n-[2-({[(1r,2r)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide
C[C@@](CCCCCCN)(C(=O)O)N	0XQ	(2r)-2,8-diamino-2-methyloctanoic acid
CCOC(=O)/C=C/c1ccc(c(c1)O)O	0XR	ethyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
c1c2cc(c(nc2nc(c1C(=O)N)N)C(F)(F)F)Br	0XS	2-amino-6-bromo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide
Cc1c(nc2c(n1)c(nc(n2)N)N)OC	0XT	7-methoxy-6-methylpteridine-2,4-diamine
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H](/C(=C\[C@H](CC[C@@H](C(=O)O)N)N)/O3)O)O)N	0XU	(2s,5s,6e)-2,5-diamino-6-[(3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxydihydrofuran-2(3h)-ylidene]hexanoic acid
Cc1cc(cc(c1O)C)C(=O)c2c(oc3c2cccc3)C	0XV	(4-hydroxy-3,5-dimethylphenyl)(2-methyl-1-benzofuran-3-yl)methanone
C[N+]1(C[C@@H](C[C@H]1C(=O)[O-])O)C	0XW	(2s,4r)-4-hydroxy-1,1-dimethylpyrrolidinium-2-carboxylate
CC(C)ON([C@H](CCNC(=O)CCCNC(=O)c1cccc(c1)C(=O)NCCCC(=O)NCC[C@@H](C(=O)NO)N(OC(C)C)S(=O)(=O)c2ccc(cc2)c3ccccc3)C(=O)NO)S(=O)(=O)c4ccc(cc4)c5ccccc5	0XX	n-(4-{[(3r)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)-n'-(4-{[(3s)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)benzene-1,3-dicarboxamide
CC(=O)N[C@@H]1[C@H]([C@@H]([C@](O[C@H]1O)(CO)F)O)O	0XY	5-fluoro-n-acetyl-alpha-d-glucosamine
c1cc(ccc1[C@H](CCO)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl	0XZ	4-amino-n-[(1s)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNCC[C@@H](C(=O)O)N)O)O)N	0Y0	5'-{[(3s)-3-amino-3-carboxypropyl]amino}-5'-deoxyadenosine
c1ccc2c(c1)c(c[nH]2)CCN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	0Y1	5'-{[(3s)-3-amino-3-carboxypropyl][2-(1h-indol-3-yl)ethyl]amino}-5'-deoxyadenosine
c1ccc2c(c1)c(cs2)CCN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	0Y2	5'-{[(3s)-3-amino-3-carboxypropyl][2-(1-benzothiophen-3-yl)ethyl]amino}-5'-deoxyadenosine
CC(C)ON([C@H](CCNC(=O)CCCNC(=O)c1cccc(c1)C(=O)NCCCC(=O)NCC[C@H](C(=O)NO)N(OC(C)C)S(=O)(=O)c2ccc(cc2)c3ccccc3)C(=O)NO)S(=O)(=O)c4ccc(cc4)c5ccccc5	0Y3	n,n'-bis(4-{[(3r)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)benzene-1,3-dicarboxamide
Cc1ccc(cc1NC(=O)C)Nc2cc(n3c(n2)c(cn3)C#N)Nc4cn(cn4)C	0Y4	n-[5-({3-cyano-7-[(1-methyl-1h-imidazol-4-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl}amino)-2-methylphenyl]acetamide
CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)Cc3ccc(c(c3)Oc4cccc(c4)C(F)(F)F)C(=O)O	0Y5	4-{[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]methyl}-2-[3-(trifluoromethyl)phenoxy]benzoic acid
CC[C@@H](CO)N1[C@@H]([C@H](C[C@@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl	0Y7	{(3r,5r,6s)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2s)-1-hydroxybutan-2-yl]-2-oxopiperidin-3-yl}acetic acid
c1cc(cc2c1ccnc2O[C@@H]3C[C@H](NC3)C(=O)O)Br	0Y8	(4r)-4-[(7-bromoisoquinolin-1-yl)oxy]-l-proline
C=C[C@@H]1C[C@@]1(C(=O)O)N	0Y9	(1r,2s)-1-amino-2-ethenylcyclopropanecarboxylic acid
C1CC1S(=O)(=O)N	0YA	cyclopropanesulfonamide
CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)[C@H](CC(C)(C)C)c3ccc(c(c3)Oc4cccc(c4)Br)C(=O)O	0YB	2-(3-bromophenoxy)-4-{(1r)-3,3-dimethyl-1-[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]butyl}benzoic acid
c1cc(cnc1)CN	0YC	1-(pyridin-3-yl)methanamine
c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)CCC(=O)O	0YD	3-[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]propanoic acid
c1ccc(cc1)c2cc(on2)CCC(=O)O	0YE	3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid
c1ccc(cc1)c2ccc(cc2)CCC(=O)O	0YF	3-(biphenyl-4-yl)propanoic acid
c1cc(ccc1/C=C(/C(=O)NCC(=O)O)\N)O	0YG	n-[(2z)-2-amino-3-(4-hydroxyphenyl)prop-2-enoyl]glycine
Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cc(n[nH]3)c4ccc(cc4C)OC	0YH	1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-[3-(4-methoxy-2-methylphenyl)-1h-pyrazol-5-yl]urea
c1ccc(c(c1)CNc2c(nccn2)C(=O)N)Cl	0YI	3-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide
Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc4c3[nH]c(c4)C(=O)NC(C)C	0YJ	7-({[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]carbamoyl}amino)-n-(propan-2-yl)-1h-indole-2-carboxamide
CC1=CN2CCS(=O)(=O)N=C2C(=N1)c3ccc(cc3)OC4CCCCC4	0YK	7-(4-cyclohexyloxyphenyl)-9-methyl-4$l^{6}-thia-1$l^{4},5,8-triazabicyclo[4.4.0]deca-1(10),6,8-triene 4,4-dioxide
c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)C[C@H](CP(=O)(c4ccc(cc4)Br)O)C(=O)O	0YL	(2s)-3-[(s)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoic acid
Cc1c(csc1CCO)Cc2cnc(nc2N)C	0YN	2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophen-2-yl}ethanol
COc1cnc(nc1c2cc3c([nH]2)CCNC3=O)c4cc5ccccc5nc4	0YO	2-[5-methoxy-2-(quinolin-3-yl)pyrimidin-4-yl]-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one
COc1ccccc1C(=C(C(=O)N2CCCCC2)NC(=O)c3ccc(cc3)[N+](=O)[O-])Br	0YP	n-[(1e)-1-bromo-1-(2-methoxyphenyl)-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl]-4-nitrobenzamide
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)C(=O)NCCNC(=O)CN(CC(=O)O)CC(=O)O)O)O	0YQ	2,2'-[(2-{[2-({[(2s,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)ethyl]amino}-2-oxoethyl)imino]diacetic acid (non-preferred name)
C([C@H]([C@H]([C@H](C(=O)NO)O)O)O)O	0YR	(2r,3r,4r)-n,2,3,4,5-pentakis(oxidanyl)pentanamide
c1c(cc(c(c1Cl)O)Cl)C(=O)N[C@@H](C[C@H]2CC[C@@](N2)([C@H]([C@H](C(=O)O)N)O)C(=O)O)C(=O)O	0YS	(5r)-2-[(1s,2r)-2-amino-2-carboxy-1-hydroxyethyl]-5-{(2s)-2-carboxy-2-[(3,5-dichloro-4-hydroxybenzoyl)amino]ethyl}-l-proline
CC(=O)NC1C(C(C(SC1O)CO)O)O	0YT	2-acetamido-2-deoxy-5-thio-beta-d-glucopyranose
c1cc(ccc1c2[nH]ccn2)NC(=O)c3ccc(cc3[N+](=O)[O-])C(=O)Nc4ccc(cc4)C5=NCCN5	0YU	n~4~-[4-(4,5-dihydro-1h-imidazol-2-yl)phenyl]-n~1~-[4-(1h-imidazol-2-yl)phenyl]-2-nitrobenzene-1,4-dicarboxamide
c1cc(cc(c1)C#Cc2cc(cc(c2)Br)CCN)C#Cc3cc(cc(c3)Br)CCN	0YV	2,2'-{benzene-1,3-diylbis[ethyne-2,1-diyl(5-bromobenzene-3,1-diyl)]}diethanamine
CCCCCCCCCCOc1cccc(c1)C(=O)Nc2ccc(cc2C(=O)O)[N+](=O)[O-]	0YW	2-{[3-(decyloxy)benzoyl]amino}-5-nitrobenzoic acid
CCCCCCCCOc1cccc(c1)COc2ccc(cc2P(=O)(O)O)Br	0YX	(5-bromo-2-{[3-(octyloxy)benzyl]oxy}phenyl)phosphonic acid
CCCCCCCCOc1ccc(cc1)C(=O)/C=C(/C(=O)O)\O	0YY	(2z)-2-hydroxy-4-[4-(octyloxy)phenyl]-4-oxobut-2-enoic acid
CCCCCCCCCCOc1cccc(c1)C(=O)/C=C(/C(=O)O)\O	0YZ	(2z)-4-[3-(decyloxy)phenyl]-2-hydroxy-4-oxobut-2-enoic acid
	0Z0	n-(trifluoroacetyl)-l-phenylalanyl-n-[4-(trifluoromethyl)phenyl]-l-alaninamide
CC(C)c1ccc(cc1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCC[NH3+])NC(=O)C(F)(F)F	0Z1	6-ammonio-n-(trifluoroacetyl)-l-norleucyl-n-[4-(1-methylethyl)phenyl]-l-prolinamide
CC(C)C[C@@H](C(=O)N[C@@H](C)C(=O)Nc1ccc(cc1)C(F)(F)F)NC(=O)C(F)(F)F	0Z2	n-(trifluoroacetyl)-l-leucyl-n-[4-(trifluoromethyl)phenyl]-l-alaninamide
CC(C)c1ccc(cc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCC[NH3+])NC(=O)C(F)(F)F	0Z3	6-ammonio-n-(trifluoroacetyl)-l-norleucyl-n-[4-(1-methylethyl)phenyl]-l-phenylalaninamide
CC(C)C[C@@H](C(=O)Nc1ccc(cc1)C(C)C)NC(=O)[C@H](CCCC[NH3+])NC(=O)C(F)(F)F	0Z4	6-ammonio-n-(trifluoroacetyl)-l-norleucyl-n-[4-(1-methylethyl)phenyl]-l-leucinamide
c1ccc(cc1)C[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=[NH2+])N)[C@@H](CCl)O)N	0Z6	d-phenylalanyl-n-[(2s,3s)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-l-phenylalaninamide
CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=[NH2+])N)[C@@H](CCl)O	0Z7	n-acetyl-d-phenylalanyl-n-[(2s,3s)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-l-phenylalaninamide
CC(C)C[C@@H](C(=O)N[C@@H](C)C(=O)NO)NC(=O)OCc1ccccc1	0Z9	n-[(benzyloxy)carbonyl]-l-leucyl-n-hydroxy-l-alaninamide
CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3ccccc3)C4=NC(=O)ON4)Cl)C	0ZA	3-{(1s)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}-1,2,4-oxadiazol-5(2h)-one
	0ZB	n-benzyl-n~2~-[(2r)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-l-alpha-asparagine
	0ZC	(3r)-2-[n-(furan-2-ylcarbonyl)-l-leucyl]-2,3,4,9-tetrahydro-1h-beta-carboline-3-carboxylic acid
CC(C)[C@H](C(=O)O)N(CCNC(=O)c1cccc(c1)C(=O)NCCN([C@H](C(C)C)C(=O)O)S(=O)(=O)c2ccc(cc2)c3ccccc3)S(=O)(=O)c4ccc(cc4)c5ccccc5	0ZD	n,n'-bis(2-[(biphenyl-4ylsulfonyl)[(2r)-1-hydroxy-3-methyl-1-oxobutan-2-yl]-amino]ethyl)benzene-1,3-dicarboxamide
c1ccc(cc1)C[C@]2(CC[C@H]3CC[C@H](N3C2=O)C(=O)N[C@@H](CCCNC(=[NH2+])N)[C@@H](c4nc5ccccc5s4)O)N	0ZE	[[[(4s,5s)-4-[[(3s,6s,8ar)-6-azanyl-5-oxo-6-(phenylmethyl)-1,2,3,7,8,8a-hexahydroindolizin-3-yl]carbonylamino]-5-(1,3-b enzothiazol-2-yl)-5-hydroxy-pentyl]amino]-azanyl-methylidene]azanium
[H]/N=C(/c1cccc(c1)C[C@@H](C(=O)N2CCCCC2)NS(=O)(=O)c3ccc(cc3)C)\N	0ZG	3-[(2s)-2-{[(4-methylphenyl)sulfonyl]amino}-3-oxo-3-piperidin-1-ylpropyl]benzenecarboximidamide
	0ZI	amino{[(4s)-4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)-5-(4-ethylpiperidin-1-yl)-5-oxopentyl]amino}methaniminium
c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=[NH2+])N)C(CCl)O)NC(=O)CS	0ZJ	n-(sulfanylacetyl)-d-phenylalanyl-n-[(2s,3s)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-l-prolinamide
CCOC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@H]([C@H](CC(C)C)O)O	0ZL	n-(ethoxycarbonyl)-l-leucyl-n-[(1r,2s,3s)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-l-leucinamide
CC(C)C[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O)N[C@@H](CCc3ccccc3)C(=O)O	0ZN	n-[(1r)-1-carboxy-3-phenylpropyl]-l-leucyl-l-tryptophan
C[C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)[C@@H](CCl)O)NC(=O)CCC(=O)O	0ZO	n-(3-carboxypropanoyl)-l-alanyl-l-alanyl-n-[(2s,3s)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]-l-prolinamide
CC[C@H](C)CNC(=O)[C@H](CC(C)C)C[C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C(Cc3cccc4c3cccc4)Cc5cccc6c5cccc6)O	0ZP	n-[(1r,2r,4r)-1-(cyclohexylmethyl)-2-hydroxy-6-methyl-4-{[(2r)-2-methylbutyl]carbamoyl}heptyl]-3-(1h-imidazol-3-ium-4-y l)-n~2~-[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]-l-alaninamide
CC(C)(C)OC(=O)N[C@H](CCN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N)Cc3ccccc3	0ZQ	n-{(3s)-3-[(tert-butoxycarbonyl)amino]-4-phenylbutyl}-l-phenylalanyl-l-alpha-glutamyl-l-phenylalaninamide
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](CN[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N)O	0ZR	n-{(2r,3s)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-l-phenylalanyl-l-glutaminyl-l-phenylalaninamide
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](CN[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N)O	0ZS	n-{(2r,3s)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-l-phenylalanyl-l-alpha-glutamyl-l-phenylalaninamide
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](CN[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N)O	0ZT	n-{(2s,3s)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-l-phenylalanyl-l-alpha-glutamyl-l-phenylalaninamide
B([C@H](CCCC[NH3+])NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)(O)OCCCO	0ZW	n-(tert-butoxycarbonyl)-l-alanyl-n-{(1s)-5-ammonio-1-[hydroxy(3-hydroxypropoxy)boranyl]pentyl}-l-valinamide
	0ZX	n-(tert-butoxycarbonyl)-l-alanyl-n-[(1s)-5-amino-1-(diethoxyboranyl)pentyl]-l-valinamide
B([C@H](CCCC[NH3+])NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)(O)OC	0ZY	n-(tert-butoxycarbonyl)-l-alanyl-n-{(1r)-5-ammonio-1-[hydroxy(methoxy)boranyl]pentyl}-l-valinamide
CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)[C@@H](CSCc1ccccc1)O)NC(=O)Cc2cc(ccc2OC)Br	0ZZ	5-s-benzyl-3-({n-[(5-bromo-2-methoxyphenyl)acetyl]-l-valyl}amino)-2,3-dideoxy-5-thio-d-erythro-pentonic acid
c1cc2c(cc1Cl)c(c[nH]2)C(=O)/C=C(/c3n[nH]nn3)\O	100	1-(5-chloroindol-3-yl)-3-hydroxy-3-(2h-tetrazol-5-yl)-propenone
c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)OP(=O)(O)O)N	101	2'-deoxy-adenosine 3'-monophosphate
c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N	102	gamma-deoxy-gamma-sulfo-guanosine-5'-triphosphate
C[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2ncnc3N)OP(=O)(O)O	103	2',5'-dideoxy-adenosine 3'-monophosphate
C(CNCCNCCN)N	104	n,n'-bis(2-aminoethyl)-1,2-ethanediamine
B(CNC(=O)c1c(onc1c2ccccc2Cl)C)(O)O	105	n-[5-methyl-3-o-tolyl-isoxazole-4-carboxylic acid amide] boronic acid
c1cc(ccc1NN=C2c3cc(ccc3NC2=O)Br)S(=O)(=O)N	106	4-[(2z)-2-(5-bromo-2-oxo-1,2-dihydro-3h-indol-3-ylidene)hydrazinyl]benzene-1-sulfonamide
c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)NCC3=C4c5c(ncs5)C=CC4=NC3=O	107	4-[(7-oxo-7h-thiazolo[5,4-e]indol-8-ylmethyl)-amino]-n-pyridin-2-yl-benzenesulfonamide
C[C@@H](C(=O)O)NCc1cc(ccc1O)C(=N)N	108	2-(5-carbamimidoyl-2-hydroxy-benzylamino)-propionic acid
C[C@@H](C(=O)O)NCc1ccc(cc1O)C(=N)N	109	2-(4-carbamimidoyl-2-hydroxy-benzylamino)-propionic acid
CCCCCCCCCC[N+](C)(C)CCCCCCCCCC	10A	didecyl-dimethyl-ammonium
CC(C)ON(CC(=O)NO)S(=O)(=O)c1ccc(cc1)c2ccccc2	10B	n-2-(biphenyl-4-ylsulfonyl)-n-2-(isopropyloxy)-acetohydroxamic acid
C1[C@]2([C@H]([C@@H](O1)[C@@H](O2)N3C=CC(=NC3=O)N)O)COP(=O)(O)O	10C	4-amino-1-{2,5-anhydro-4-[(phosphonooxy)methyl]-alpha-l-lyxofuranosyl}pyrimidin-2(1h)-one
C/C(=C\COP(=O)(O)OP(=O)(O)O)/CF	10D	(2e)-4-fluoro-3-methylbut-2-en-1-yl trihydrogen diphosphate
C/C(=C\COP(=O)(O)OP(=O)(O)O)/CN	10E	(2e)-4-amino-3-methylbut-2-en-1-yl trihydrogen diphosphate
c1cc(ccc1C(=O)N[C@H](CCC(=O)O)C(=O)O)N(C[C@@H]2CN[C@@H]3[C@@H](N2)[C@@H](N[C@@H](N3)N)O)C=O	10F	n-({4-[{[(2r,4s,4ar,6s,8as)-2-amino-4-hydroxydecahydropteridin-6-yl]methyl}(formyl)amino]phenyl}carbonyl)-d-glutamic acid
C/C(=C\COP(=O)(O)OP(=O)(O)O)/CS	10G	(2e)-3-methyl-4-sulfanylbut-2-en-1-yl trihydrogen diphosphate
C[C@@H]1CCCCN1S(=O)(=O)c2ccc(cc2)N3C=CCC3=O	10H	1-(4-{[(2r)-2-methylpiperidin-1-yl]sulfonyl}phenyl)-1,3-dihydro-2h-pyrrol-2-one
[H]/N=C(\NCCC)/NC(=O)Nc1c(cccc1CC)CC	10I	n-(2,6-diethylphenyl)-n'-(n-propylcarbamimidoyl)urea
[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)C(=O)c3ccccc3)c4cc(cs4)c5cccc(c5)C#N	10J	3-{5-[(2e,4ar,7ar)-6-benzoyl-2-imino-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile
c1cc(sc1)c2ccc(cc2)CC(=O)Nc3cc(n[nH]3)C4CC4	10K	n-(3-cyclopropyl-1h-pyrazol-5-yl)-2-[4-(thiophen-2-yl)phenyl]acetamide
c1cc2cn[nH]c2c(c1)N	10L	1h-indazol-7-amine
CCCCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	10M	decyl 4-o-alpha-d-glucopyranosyl-1-thio-beta-d-glucopyranoside
CN(c1c(cccn1)CNc2c3cc([nH]c3ncc2C#N)c4ccccc4)S(=O)(=O)C	10N	n-(3-{[(5-cyano-2-phenyl-1h-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl}pyridin-2-yl)-n-methylmethanesulfonamide
[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3cccc(n3)OC)c4cc(cs4)c5cccc(c5)C#N	10O	3-{5-[(2e,4ar,7ar)-2-imino-6-(6-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile
C[n+]1cccc(c1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N	10P	d-phenylalanyl-n-[(1-methylpyridinium-3-yl)methyl]-l-prolinamide
[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3c(cccn3)C#N)c4cc(cs4)c5cccc(c5)C#N	10Q	2-{(2e,4ar,7ar)-7a-[4-(3-cyanophenyl)thiophen-2-yl]-2-imino-3-methyl-4-oxooctahydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl}pyridine-3-carbonitrile
[BH]1234[BH]567[BH]189[BH]212[BH]33%10C454([BH]656[BH]433[BH]%1011[BH]353[BH]768C9213CCOC[C@@H](CCO)O)CCCCC(CC)(CC)O	10R	1-(2-[(r)-2,4-dihydroxybutoxy]ethyl)-12-(5-ethyl-5-hydroxyheptyl)-1,12-dicarba-closo-dodecaborane
[BH]1234[BH]567[BH]189[BH]212[BH]33%10C454([BH]656[BH]433[BH]%1011[BH]353[BH]768C9213CCOC[C@H](CCO)O)CCCCC(CC)(CC)O	10S	1-(2-[(s)-2,4-dihydroxybutoxy]ethyl)-12-(5-ethyl-5-hydroxyheptyl)-1,12-dicarba-closo-dodecaborane
Cc1ccc(cc1)c2c(c(nc(c2C(=O)O)C)CC(C)C)CN	10T	5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxic acid
c1cc(ccc1CNC(=O)[C@@H]2CCCN2C(=O)CNC3CCCC3)C(=N)N	10U	(s)-n-(4-carbamimidoylbenzyl)-1-(2-(cyclopentylamino)ethanoyl)pyrrolidine-2-carboxamide
[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3c(cccn3)OC)c4cc(cs4)c5cccc(c5)C#N	10V	3-{5-[(2e,4ar,7ar)-2-imino-6-(3-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile
[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3ccccc3)c4ccc(s4)c5ccc(c(c5)C#N)F	10W	2-fluoro-5-{5-[(2e,4ar,7ar)-2-imino-3-methyl-4-oxo-6-phenyloctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-2-yl}benzonitrile
CC/C=C\C[C@H]1[C@@H](O1)C/C=C\CCCCCCCC(=O)O	10X	(9z)-11-{(2s,3s)-3-[(2z)-pent-2-en-1-yl]oxiran-2-yl}undec-9-enoic acid
CC/C=C\C[C@H]1[C@H](O1)C/C=C\CCCCCCCC(=O)O	10Y	(9z)-11-{(2r,3s)-3-[(2z)-pent-2-en-1-yl]oxiran-2-yl}undec-9-enoic acid
COCCNCc1ccc(cc1)Nc2ncc3cc(ccc3n2)c4ccncc4	10Z	n-(4-{[(2-methoxyethyl)amino]methyl}phenyl)-6-(pyridin-4-yl)quinazolin-2-amine
CCCCOC(=O)[C@H]([C@H](C1CCC(CC1)N)NC(=O)c2ccc3n2C(=O)CN(C3)S(=O)(=O)Cc4ccccc4)O	110	3-(4-amino-cyclohexyl)-2-hydroxy-3-[(4-oxo-2-phenylmethanesulfonyl-1,2,3,4-tetrahydro-pyrrolo[1,2-a]pyrazine-6-carbonyl)-amino]-propionic acid butyl ester
CCCCOc1ccc(cc1)S(=O)(=O)[N@@]2C[C@H](C[C@@H]2C(=O)NO)NS(=O)(=O)C	111	(1n)-4-n-butoxyphenylsulfonyl-(2r)-n-hydroxycarboxamido-(4s)-methanesulfonylamino-pyrrolidine
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)SCC(=O)N)O)O)N	112	thiophosphoric acid o-((adenosyl-phospho)phospho)-s-acetamidyl-diester
C[C@H]1CC2=C([C@@H](O1)OC)C(=O)c3c(cc(c(c3C(=O)O)O)O)O2	113	7,8-dihydroxy-1-methoxy-3-methyl-10-oxo-4,10-dihydro-1h,3h-pyrano[4,3-b]chromene-9-carboxylic acid
CC[C@H](C)C(=O)O[C@H]1CCC=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O	114	(3r,5r)-3,5-dihydroxy-7-[(1s,2s,8s,8ar)-2-methyl-8-{[(2s)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]h eptanoic acid
CC(C)n1c2ccccc2c(c1/C=C/[C@H](C[C@H](CC(=O)O)O)O)c3ccc(cc3)F	115	(3r,5s,6e)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1h-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid
CC(C)c1c(c(c(c(n1)C(C)C)COC)c2ccc(cc2)F)CC[C@H](C[C@H](CC(=O)O)O)O	116	7-[4-(4-fluoro-phenyl)-5-hydroxymethyl-2,6-diisopropyl-pyridin-3-yl]-3,5-dihydroxy-heptanoic acid
CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4	117	7-[2-(4-fluoro-phenyl)-5-isopropyl-3-phenyl-4-phenylcarbamoyl-pyrrol-1-yl]- 3,5-dihydroxy-heptanoic acid
c1ccc(cc1)[Sb+](c2ccccc2)(c3ccccc3)c4ccccc4	118	tetraphenylantimonium ion
c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4	119	tetraphenylphosphonium ion
CCCCCCCCCCC(=O)O	11A	undecanoic acid
[H]/N=C(/N)\Nc1cccc(c1)[C@@H](C(=O)O)O[P@](=O)([C@H](CCCCC)NC(=O)OCc2ccccc2)O	11B	(5r,6s,8s)-8-(3-{[amino(imino)methyl]amino}phenyl)-6-hydroxy-3-oxo-5-pentyl-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide
C(C[C@H](C(=O)O)N)CC(=O)O	11C	(2r)-2-aminohexanedioic acid
CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCCCC(=O)O	11D	11-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)undecanoic acid
c1cc2c(cc1C(=O)NCC(=O)O)sc(n2)N	11E	n-[(2-amino-1,3-benzothiazol-6-yl)carbonyl]glycine
Cc1c(c(nc(n1)N)N)C#C[C@@H](C)c2ccc(c(c2)OC)c3ccccc3	11F	5-[(3s)-3-(2-methoxybiphenyl-4-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
CC[C@@H]1C(=O)N(c2cncnc2N1C3CCCC3)C	11G	(7r)-8-cyclopentyl-7-ethyl-5-methyl-7,8-dihydropteridin-6(5h)-one
c1cc2c(cc1S(=O)(=O)O)C(=O)c3ccc(cc3C2=O)S(=O)(=O)O	11H	9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid
Cc1ccccc1CN2CCC(CC2)(Cc3ccc(cc3)Cl)C(=O)/C=C(/C(=O)OC)\O	11I	methyl (z)-4-(4-(4-chlorobenzyl)-1-(2-methylbenzyl)piperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate
c1ccc(cc1)c2cccc(c2)NC(=O)c3ccccc3I	11J	n-biphenyl-3-yl-2-iodobenzamide
c1cc(ccc1CC(=O)Nc2cc([nH]n2)C3CC3)OCCN4CCCC4	11K	n-(3-cyclopropyl-1h-pyrazol-5-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide
CSc1c2ccccc2c(s1)C(=O)N3CCC4(CC3)COc5c4cc(cc5)CN	11M	1-(1'-{[3-(methylsulfanyl)-2-benzothiophen-1-yl]carbonyl}spiro[1-benzofuran-3,4'-piperidin]-5-yl)methanamine
c1ccc(cc1)C=CC(=O)N2CCC3(CC2)COc4c3cc(cc4)CN	11N	1-[1'-(3-phenylacryloyl)spiro[1-benzofuran-3,4'-piperidin]-5-yl]methanamine
CCCCC[C@@H]1[C@H](O1)[C@H](\C=C/CCCCCCCC(=O)O)O	11O	(trans-12,13-epoxy)-11-hydroxy-9(z)-octadecenoic acid
c1cncc2c1CC[C@H]2C(O)(P(=O)(O)O)P(=O)(O)O	11P	[(7r)-6,7-dihydro-5h-cyclopenta[c]pyridin-7-yl(hydroxy)methylene]bis(phosphonic acid)
C1CCC(CC1)CN2CCC[C@H]2C(=O)O	11Q	1-(cyclohexylmethyl)-l-proline
CN(C)c1cccc(c1)OCCCCCCCCCCCC2=CCN3C4=C5C(=CC=CN5[Ru]367(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=CC24	11R	ruthenium wire, 11 carbon linker
c1cc2c(cc[nH]2)cc1Cl	11S	5-chloro-1h-indole
[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CNC3CCCCC3)\N	11U	(s)-n-(4-carbamimidoylbenzyl)-1-(2-(cyclohexylamino)ethanoyl)pyrrolidine-2-carboxamide
c1ccc(cc1)[C@H](Cn2c3c(cn2)c(nc(n3)SCCN4CCOCC4)Nc5ccccc5)Cl	11V	1-[(2r)-2-chloro-2-phenylethyl]-6-{[2-(morpholin-4-yl)ethyl]sulfanyl}-n-phenyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
c1ccc(cc1)/N=N/c2ccc(cc2)/C=C/C[C@H](C[C@@H](C(=O)O)N)C(=O)O	11W	(4r)-4-[(2e)-3-{4-[(e)-phenyldiazenyl]phenyl}prop-2-en-1-yl]-l-glutamic acid
c1ccc(cc1)NCc2cccnc2	11X	n-(pyridin-3-ylmethyl)aniline
c1ccc(cc1)C(=O)C2=C(C(=O)N([C@H]2c3cc(cs3)Br)c4ccc(c(c4)C(=O)O)Cl)O	11Y	5-[(2r)-3-benzoyl-2-(4-bromothiophen-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1h-pyrrol-1-yl]-2-chlorobenzoic acid
C1CCC(CC1)CCCCCCCCCCC(=O)O	11Z	11-cyclohexylundecanoic acid
c1cc2c(cc1C(=[NH2+])N)nc([nH]2)C3=CC=CNC3=O	120	2-(2-oxo-1,2-dihydro-pyridin-3-yl)-1h-benzoimidazole-5-carboxamidine
c1cc(c(nc1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)O	121	2-(3-hydroxy-pyridin-2-yl)-1h-benzoimidazole-5-carboxamidine
c1ccc(c(c1)c2[nH]c3cc(ccc3n2)C(=[NH2+])N)O	122	2-(2-hydroxy-phenyl)-3h-benzoimidazole-5-carboxamidine
COc1ccc(c(c1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)O	123	2-(2-hydroxy-5-methoxy-phenyl)-1h-benzoimidazole-5-carboxamidine
c1ccc(c(c1)c2cc3cc(ccc3[nH]2)C(=[NH2+])N)O	124	2-(2-hydroxy-phenyl)-1h-indole-5-carboxamidine
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCF	125	2'-o-fluoroethyl-5-methyl-uridine-5'-monophosphate
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCOCCOCCOC	126	2'-o-methyl-[tri(oxyethyl)]-5-methyl-uridine-5'-monophosphate
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCON	127	2'-o-aminooxy-ethyl-5-methyl-uridine-5'-monophosphate
c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC5(O4)C(=CC(=[N+](O)[O-])C=C5[N+](=O)[O-])[N+](=O)[O-])N	128	spiro(2,4,6-trinitrobenzene[1,2a]-2o',3o'-methylene-adenine-triphosphate
C(CP(=O)(O)O)N(C=O)O	129	[2(formyl-hydroxy-amino)-ethyl]-phosphonic acid
C[C@H]([C@@H](C(=O)O)NC(=O)Nc1c2c(nc(n1)SC)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)O	12A	2-methylthio-n6-(aminocarbonyl-l-threonyl)-adenosine-5'-monophosphate
c1cc2cccc3c2c(c1)C(=O)N3	12B	benzo[cd]indol-2(1h)-one
c1ccc2c(c1)[nH]c(n2)C3=C(c4cc(ccc4NC3=O)Cl)N[C@@H]5CN6CCC5CC6	12C	4-[(3s)-1-azabicyclo[2.2.2]oct-3-ylamino]-3-(1h-benzimidazol-2-yl)-6-chloroquinolin-2(1h)-one
c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[C@@]5(O4)[C@@H](C=C(C=C5[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N	12D	2',3'-o-[(1r,6r)-2,4,6-trinitrocyclohexa-2,4-diene-1,1-diyl]adenosine 5'-(trihydrogen diphosphate)
c1cnccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	12E	n-{[(2e)-2-(pyridin-4-ylmethylidene)hydrazino]carbonothioyl}-beta-d-glucopyranosylamine
Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]34[N@@]2[C@@H](C[C@@H]4c5cccc(c5OCc6ccccc6)F)O)C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]7[C@H]([C@H]([C@@H](O7)n8cnc9c8ncnc9N)O)O)O)O)O	12F	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-[(1r,3r,3as)-3-[2-(benzyloxy)-3-fluorophenyl]-1-hydroxy-10,11-dimethyl-4,6-dioxo-2,3,5,6-tetrahydro-1h-benzo[g]pyrrolo[2,1-e]pteridin-8(4h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate
c1ccc(c(c1)[C@H]2C(=C(C(=O)N2c3ccc(cc3)CC(=O)O)O)C(=O)c4ccccc4Cl)Cl	12G	{4-[(2r)-3-(2-chlorobenzoyl)-2-(2-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1h-pyrrol-1-yl]phenyl}acetic acid
C(CCCCCC(=O)O)CCCCCO	12H	12-hydroxydodecanoic acid
CN1CCN(CC1)c2c3ccccc3ncn2	12I	4-(4-methylpiperazin-1-yl)quinazoline
CC(C)Oc1cccc(c1)NC(=O)c2ccccc2I	12J	2-iodo-n-[3-(1-methylethoxy)phenyl]benzamide
CC1(CCCCC1)NC(=O)O	12K	(1-methylcyclohexyl)carbamic acid
CC1([C@@H]2[C@H]1[C@H](NC2)C(=O)O)C	12L	(1r,2s,5s)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
CCc1ccccc1CO	12M	(2-ethylphenyl)methanol
C1CC(C1)C[C@@H]([C@H](C(=O)O)O)N	12N	(2r,3s)-3-amino-4-cyclobutyl-2-hydroxybutanoic acid
c1ccc2c(c1)CCN([C@@H]2CN3C(=O)c4ccccc4C3=O)C(=O)[C@@H]5CCCC[C@H]5C(=O)O	12O	(1r,2r)-2-{[(1s)-1-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1h)-yl]carbonyl}cyclohexanecarboxylic acid
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O	12P	dodecaethylene glycol
CN1c2ccccc2C=CC1=O	12Q	1-methylquinolin-2(1h)-one
c1ccc(cc1)NNc2c3cn[nH]c3ncn2	12R	4-(2-phenylhydrazinyl)-1h-pyrazolo[3,4-d]pyrimidine
Cc1cc(nc(c1)N)CCc2cc(cc(c2)CCc3cc(cc(n3)N)C)CCCN	12S	6,6'-{[5-(3-aminopropyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine)
c1cc(c(cc1C(=O)O)N)C(=O)O	12T	2-aminobenzene-1,4-dicarboxylic acid
[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CNC3CCCCCC3)\N	12U	n-cycloheptylglycyl-n-(4-carbamimidoylbenzyl)-l-prolinamide
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](S[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O	12V	(2s,3r,4r,5s,6r)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-thiopyran-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
C1CCC(C1)OC(=O)O	12W	cyclopentyl hydrogen carbonate
CC(C)C(=O)Nc1nc(cs1)c2cc(c3ccc(c(c3n2)Br)OC)O[C@@H]4C[C@H](NC4)C(=O)O	12X	(4r)-4-[(8-bromo-7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-l-proline
CC(C)C(=O)Nc1nc(cs1)c2cc(c3ccc(cc3n2)OC)O[C@@H]4C[C@H](NC4)C(=O)O	12Y	(4r)-4-[(7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-l-proline
c1cc(cnc1)C(=O)c2c(nc(s2)NC3CCCCC3)N	12Z	[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone
[H]/N=C(\c1ccc2c(c1)nc([nH]2)c3cccc(c3O)c4ccccc4)/N	130	2-(2-hydroxy-biphenyl)-1h-benzoimidazole-5-carboxamidine
c1ccc(cc1)c2cccc(c2O)c3cc4cc(c(cc4[nH]3)Cl)C(=[NH2+])N	132	6-chloro-2-(2-hydroxy-biphenyl-3-yl)-1h-indole-5-carboxamidine
[H]/N=C(\c1cc2c(cc1F)[nH]c(n2)c3cccc(c3O)OCC(C)C)/N	133	6-fluoro-2-(2-hydroxy-3-isobutoxy-phenyl)-1h-benzoimidazole-5-carboxamidine
[H]/N=C(\c1cc2cc([nH]c2cc1F)c3cccc(c3O)O[C@H]4CCCC[C@@H]4C)/N	134	6-fluoro-2-[2-hydroxy-3-(2-methyl-cyclohexyloxy)-phenyl]-1h-indole-5-carboxamidine
[H]/N=C(\c1ccc(cc1)NC(=O)c2ccccc2O)/N	135	n-(4-carbamimidoyl-phenyl)-2-hydroxy-benzamide
[H]/N=C(\c1ccc(cc1Cl)NC(=O)c2cc(cc(c2O)I)C)/N	136	n-(4-carbamimidoyl-3-choro-phenyl)-2-hydroxy-3-iodo-5-methyl-benzamide
c1ccc(c(c1)C(=O)O)NC[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	137	1-(o-carboxy-phenylamino)-1-deoxy-d-ribulose-5-phosphate
c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@](Cc2ccc3c(c2)c(nc(n3)N)O)(CNCC(=O)N[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)O	138	n-[5'-o-phosphono-ribofuranosyl]-2-[2-hydroxy-2-[4-[glutamic acid]-n-carbonylphenyl]-3-[2-amino-4-hydroxy-quinazolin-6-yl]-propanylamino]-acetamide
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@H]4C[C@@H](O[C@@H]4CO)N5C=CC(=O)NC5=O)O)O)N	139	adenosine-5'-[trihydrogen diphosphate] p'-3'-ester with 2'-deoxyuridine
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NS(=O)(=O)NC2=O	13A	7-(3,4-dihydroxy-5r-hydroxymethyltetrahydrofuran-2-yl)-2,2-dioxo-1,2r,3r,7-tetrahydro-2l6-imidazo[4,5-c][1,2,6]thiadiazin-4s-one
c1c(c2c(c(c1O)Cl)CC(=O)CCCCC=CCCNC2=O)O	13C	(5e)-13-chloro-14,16-dihydroxy-3,4,7,8,9,10-hexahydro-2-benzazacyclotetradecine-1,11(2h,12h)-dione
C(CN)CN	13D	1,3-diaminopropane
CSCC[C@@H](C(=O)O)NC[C@H](Cc1ccccc1)N	13E	n-[(2s)-2-amino-3-phenylpropyl]-l-methionine
CN1Cc2cc(ccc2NC1=O)S(=O)(=O)Nc3ccccc3	13F	3-methyl-2-oxo-n-phenyl-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
CCCCC[C@@H](\C=C\C=C/CCCCCCCC(=O)O)O	13H	(9z,11e,13s)-13-hydroxyoctadeca-9,11-dienoic acid
CCO[C@H]([C@H]1CCC\C=C\CCNC(=O)c2c(cc(c(c2CC1=O)Cl)O)O)O	13I	(e)-ethyl 13-chloro-14,16-dihydroxy-1,11-dioxo-1,2,3,4,7,8,9,10,11,12-decahydrobenzo[c][1]azacyclotetradecine-10-carboxylate
CCC(=O)N1CCC[C@@H](C1)n2c3c(c(n2)c4cccc(c4)C(=O)Nc5ccc(cc5)C(C)C)c(ncn3)N	13J	3-{4-amino-1-[(3s)-1-propanoylpiperidin-3-yl]-1h-pyrazolo[3,4-d]pyrimidin-3-yl}-n-[4-(propan-2-yl)phenyl]benzamide
COc1ccc(cc1OC)Nc2cc(nc(n2)N3CCOCC3)c4cnc(nc4)N	13K	n~6~-(3,4-dimethoxyphenyl)-2-(morpholin-4-yl)-4,5'-bipyrimidine-2',6-diamine
CCC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4cccc(c4)C(=O)Nc5ccc(cc5)C(C)C)c(ncn3)N	13L	3-{4-amino-1-[(3r)-1-propanoylpiperidin-3-yl]-1h-pyrazolo[3,4-d]pyrimidin-3-yl}-n-[4-(propan-2-yl)phenyl]benzamide
CC[C@@H](Cc1ccc(c(c1)CNC(=O)c2ccc3ccc4cccc5c4c3c2cc5)OC)C(=O)O	13M	(2s)-2-(4-methoxy-3-{[(pyren-1-ylcarbonyl)amino]methyl}benzyl)butanoic acid
c1ccc(cc1)CNC(=O)[C@@H]2CCC\C=C\CCNC(=O)c3c(cc(c(c3CC2=O)Cl)O)O	13N	(5e,10r)-n-benzyl-13-chloro-14,16-dihydroxy-1,11-dioxo-1,2,3,4,7,8,9,10,11,12-decahydro-2-benzazacyclotetradecine-10-carboxamide
C(C(=O)COP(=O)(O)O)O	13P	1,3-dihydroxyacetonephosphate
c1cc(cc(c1)Cl)[C@H]2C[C@@H](C(=O)N([C@@H]2c3ccc(cc3)Cl)CC4CC4)CC(=O)O	13Q	[(3r,5r,6s)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-2-oxopiperidin-3-yl]acetic acid
CCCCC[C@H](\C=C\C=C/CCCCCCCC(=O)O)OO	13R	13(r)-hydroperoxy-9(z),11(e)-octadecadienoic acid
CCCCC[C@@H](\C=C\C=C/CCCCCCCC(=O)O)OO	13S	13(s)-hydroperoxy-9(z),11(e)-octadecadienoic acid
C\C=C/[C@H](C)[C@@H]1[C@@](O1)(C)[C@H]([C@H]2COC(=O)[C@@H]([C@H]([C@@H](C(=O)[C@@H]([C@H](/C(=C/[C@@H](C(=O)CC[C@H](C2=O)C)C)/C)O)C)C)OC)O)O	13T	13-deoxytedanolide
[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CNC3CCCCCCC3)\N	13U	n-cyclooctylglycyl-n-(4-carbamimidoylbenzyl)-l-prolinamide
CC(C)(C#Cc1ccc2c(c1)c(c[nH]2)c3c(cnc(n3)N)OCCOC)O	13V	4-{3-[2-amino-5-(2-methoxyethoxy)pyrimidin-4-yl]-1h-indol-5-yl}-2-methylbut-3-yn-2-ol
[H]/N=C/1\N[C@](CC(=O)N1C)(C)c2cc(cs2)c3cccc(c3)C#N	13W	3-{5-[(2e,4s)-2-imino-1,4-dimethyl-6-oxohexahydropyrimidin-4-yl]thiophen-3-yl}benzonitrile
c1c(cc(cc1O)O)O	13X	benzene-1,3,5-triol
CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)[C@H](CC(C)C)c3ccc(c(c3)Oc4cccc(c4)Cl)C(=O)O	13Y	2-(3-chlorophenoxy)-4-{(1r)-3-methyl-1-[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]butyl}benzoic acid
CC(C)(C)c1nnc(o1)[C@@H]([C@@H]2C[C@@H](CN2C(=O)CNC(C)(C)CO)F)O	13Z	2-[(2-{(2s,4s)-2-[(r)-(5-tert-butyl-1,3,4-oxadiazol-2-yl)(hydroxy)methyl]-4-fluoropyrrolidin-1-yl}-2-oxoethyl)amino]-2-methylpropan-1-ol
CCCCCCCCCCCCCCCC(=O)NCC(=O)O	140	n-palmitoylglycine
C1=C2C(=NC(=O)NC2=O)NN1	141	oxypurinol
C[C@](Cc1ccc(c(c1)O)O)(C(=O)O)NN	142	carbidopa
C1=C(ON[C@@H]1SC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N	143	s-2,3-dihydro-5-glycin-2-yl-isoxazol-3-yl-cysteine
C[N+](CO)(CO)CO	144	tris-hydroxymethyl-methyl-ammonium
c1ccc(c(c1)[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O	145	2-nitrophenyl beta-d-galactopyranoside
c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3cccc(c3)C(=O)Nc4[nH]c5ccccc5n4)Cc6cccc(c6)C(=O)Nc7[nH]c8ccccc8n7)Cc9ccccc9)O)O	146	[4r-(4alpha,5alpha,6alpha,7alpha)]-3,3'-{{tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1h-1,3-diazepine-1,3(2h)-diyl]bis(methylene)]bis[n-1h-benzimidazol-2-ylbenzamide]
c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O	147	4-nitrophenyl beta-d-galactopyranoside
C(CO)N(CCO)C(CO)(CO)CO	148	2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol
C([C@@H]1[C@@H]([C@@H]([C@H](C(=O)O1)O)O)O)O	149	d-galactonolactone
C=CCN(C1CCCC1)C(=O)c2cc(cc(c2)Cl)OCCCONC(=N)N	14A	n-allyl-5-amidinoaminooxy-propyloxy-3-chloro-n-cyclopentylbenzamide
Cc1cc(c(c(c1)C(=O)O)N)C	14B	2-amino-3,5-dimethylbenzoic acid
Cc1cccc2c1C(=O)N(C2=O)c3ccnc(c3)Cl	14C	2-(2-chloropyridin-4-yl)-4-methyl-1h-isoindole-1,3(2h)-dione
CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)Cc3cccc(c3)Oc4cccc(c4)C(F)(F)F	14D	5-methyl-1-[(3s)-1-{3-[3-(trifluoromethyl)phenoxy]benzyl}piperidin-3-yl]pyrimidine-2,4(1h,3h)-dione
c1ccc(cc1)c2cc(on2)C[C@H](CP(=O)(c3ccc(cc3)Br)O)C(=O)O	14E	(2s)-3-[(s)-(4-bromophenyl)(hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoic acid
COc1cc(c(cc1OC)N)C(=O)O	14F	2-amino-4,5-dimethoxybenzoic acid
CCCCCCCCCCCCCC(=O)N[C@H](C[C@H](c1ccccc1)O)CO	14H	n-[(1r,3r)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tetradecanamide
c1cc2c(cc(o2)C(=O)O)c3c1ccc4c3cc(o4)C(=O)O	14I	naphtho[2,1-b:7,8-b']difuran-2,9-dicarboxylic acid
c1cc(oc1C(=O)O)Br	14J	5-bromofuran-2-carboxylic acid
Cc1nc(nc(n1)N)c2cc(cnc2Nc3cc(c(nc3)OC)F)[C@@H](C)N4CCN(CC4)S(=O)(=O)C	14K	4-(2-[(5-fluoro-6-methoxypyridin-3-yl)amino]-5-{(1r)-1-[4-(methylsulfonyl)piperazin-1-yl]ethyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine
c1ccc2c(c1)c3cccc4c3c5c2c6c(cc5cc4)[C@@H]([C@H]([C@H](C6)O)O)O	14L	(11s,12s,13s)-11,12,13,14-tetrahydronaphtho[1,2,3,4-pqr]tetraphene-11,12,13-triol
CCCSc1c(ccc(n1)N2CCC[C@H](C2)CC(=O)O)C(=O)NC3CCCCC3	14M	{(3s)-1-[5-(cyclohexylcarbamoyl)-6-(propylsulfanyl)pyridin-2-yl]piperidin-3-yl}acetic acid
CN1CCN(CC1)c2ccc(cc2)C(=O)O	14N	4-(4-methylpiperazin-1-yl)benzoic acid
c1cc2c(cc[nH]2)cc1F	14O	5-fluoro-1h-indole
CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3ccc4c(c3)OCO4	14Q	5-{3-[3-(1,3-benzodioxol-5-yl)-5-methoxyphenyl]prop-1-yn-1-yl}-6-ethylpyrimidine-2,4-diamine
CCc1nc2c(n1[C@H]3CCc4c3ccc(c4)c5ccccc5c6[nH]nnn6)C(=O)N(C=C2)Cc7ccccc7	14R	5-benzyl-2-ethyl-3-{(1s)-5-[2-(1h-tetrazol-5-yl)phenyl]-2,3-dihydro-1h-inden-1-yl}-3,5-dihydro-4h-imidazo[4,5-c]pyridin-4-one
COc1ccccc1CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O	14S	4-(cyclopentylamino)-2-[(2-methoxybenzyl)amino]-n-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide
c1cc(c(cc1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C(F)F)F)F	14T	3,4-difluorophenyl 2-deoxy-2-[(difluoroacetyl)amino]-beta-d-glucopyranoside
CCCCCCCCCCCCCCCC(=O)C(C)C(=O)O	14U	(2s)-2-methyl-3-oxooctadecanoic acid
CCCCCCCCCCCCCCCC(=O)CC(=O)CC(=O)O	14V	3,5-dioxoicosanoic acid
[H]/N=C(/C)\NCc1cccc(c1)CN	14W	n-(3-(aminomethyl)benzyl)acetamidine
CN1Cc2cc(ccc2NC1=O)S(=O)(=O)N3CCCC3	14X	3-methyl-6-(pyrrolidin-1-ylsulfonyl)-3,4-dihydroquinazolin-2(1h)-one
CCCCCCCC/C=C/CCCCCCCC(=O)OC	14Y	methyl(e)-octadec-9-enoate
CCNS(=O)(=O)c1ccc2c(c1)CN(C(=O)N2)C	14Z	n-ethyl-3-methyl-2-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
Cc1cc(c(cc1C)N)N	150	4,5-dimethyl-1,2-phenylenediamine
CC(C)[C@@H]([C@H]1[C@@H](CCN1C(=O)c2coc(n2)CN3CCCC3)NS(=O)(=O)C)C(=O)O	151	(2s)-3-methyl-2-((2r,3s)-3-[(methylsulfonyl)amino]-1-{[2-(pyrrolidin-1-ylmethyl)-1,3-oxazol-4-yl]carbonyl}pyrrolidin-2-yl)butanoic acid
C[N+](C)(C)C[C@@H](CC(=O)O)O	152	carnitine
c1ccc(cc1)C[C@@H](C(=O)O)N(Cc2cccc(c2)C(F)(F)F)C(=O)c3ccc(cc3Cl)Cl	153	(2s)-2-[(2,4-dichloro-benzoyl)-(3-trifluoromethyl-benzyl)-amino]-3-phenyl-propionic acid
c1ccc(cc1)C[C@@H](C(=O)O)N(Cc2ccc(s2)c3cc4ccccc4o3)C(=O)c5ccc(cc5Cl)Cl	154	(2s)-2-[(5-benzofuran-2-yl-thiophen-2-ylmethyl)-(2,4-dichloro-benzoyl)-amino]-3-phenyl-propionic acid
CC(C)C1=NCCc2c1cc(cc2)NC(=O)c3ccc4cc(ccc4c3)C(=N)N	155	6-[(z)-amino(imino)methyl]-n-(1-isopropyl-3,4-dihydroisoquinolin-7-yl)-2-naphthamide
CC1(CCC(c2c1ccc(c2)C(=O)\C=C\c3ccc(cc3)C(=O)O)(C)C)C	156	4-[3-oxo-3-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-propenyl]-benzoic acid
C1C[C@@H]([C@H](C1)O)[C@@H](CCCCC(=N)N)C=O	157	6-(2-hydroxy-cyclopentyl)-7-oxo-heptanamidine
CC(=O)[C@H](CC(=O)O)NC(=O)CS	158	3-(2-mercapto-acetylamino)-4-oxo-pentanoic acid
c1cc(c(cc1S(=O)(=O)NCCS)C(=O)O)O	159	2-hydroxy-5-(2-mercapto-ethylsulfamoyl)-benzoic acid
C(C/N=C\1/[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O)N	15A	(2z,3r,4s,5r,6r)-2-[(2-aminoethyl)imino]-6-(hydroxymethyl)piperidine-3,4,5-triol
c1c(cc(cc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCN	15B	n-{3-[4-(3-amino-propyl)-piperazin-1-yl]-propyl}-3-nitro-5-(galactopyranosyl)-beta-benzamide
Cc1cccc2c1C(=O)N(C2=O)c3ccc(cc3)C(=O)C	15C	2-(4-acetylphenyl)-4-methyl-1h-isoindole-1,3(2h)-dione
CN1Cc2cc(ccc2NC1=O)Br	15E	6-bromo-3-methyl-3,4-dihydroquinazolin-2(1h)-one
[H]/N=C(/C(Cl)(Cl)Cl)\OCc1cc[n+](cc1)Cc2ccccc2	15F	1-benzyl-4-({[(1e)-2,2,2-trichloroethanimidoyl]oxy}methyl)pyridinium
COc1cnc(cc1c2cc3c([nH]2)CCNC3=O)COc4ccc(c(c4)F)F	15G	2-{2-[(3,4-difluorophenoxy)methyl]-5-methoxypyridin-4-yl}-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one
C[C@@H](C1CCN(CC1)c2c(nccn2)Oc3ccc(cc3)Nc4nc5ccccc5s4)O	15H	(1s)-1-(1-{3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl}piperidin-4-yl)ethanol
c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3	15I	6-(2,9-diazaspiro[5.5]undecan-9-yl)-9h-purine
c1ccc2c(c1)[nH]c(n2)Nc3ccc(cc3)Oc4cccnc4N5CCC(CC5)CO	15J	(1-{3-[4-(1h-benzimidazol-2-ylamino)phenoxy]pyridin-2-yl}piperidin-4-yl)methanol
[C@@H]1([C@H]([C@H](OC(=O)[C@@H]1O)C(=O)O)O)O	15L	d-galactaro-1,5-lactone
CCNC(=O)CCC\C=C/C[C@H]1[C@H](C[C@H]([C@@H]1\C=C\[C@H](CCc2ccccc2)O)O)O	15M	(5z)-7-{(1r,2r,3r,5s)-3,5-dihydroxy-2-[(1e,3s)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl}-n-ethylhept-5-enamide
c1ccc2c(c1)OC[C@@H](O2)C(=O)O	15N	(2r)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid
c1ccc2c(c1)cccc2Cl	15O	1-chloronaphthalene
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	15P	polyethylene glycol (n=34)
c1cc(c(cc1c2ccc(c(c2Cl)/C=N/O)O)F)O	15Q	2-chloro-3'-fluoro-3-[(e)-(hydroxyimino)methyl]biphenyl-4,4'-diol
c1ccc2c(c1)C(=NNC2=O)Cc3ccc(c(c3)C(=O)N4CCC(CC4)C(=O)N5CCc6cccc7c6[C@@H]5CNC7=O)F	15R	(9ar)-1-[(1-{2-fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzoyl}piperidin-4-yl)carbonyl]-1,2,3,8,9,9a-hexahydro-7h-benzo[de][1,7]naphthyridin-7-one
C[C@@H](C(=O)N1CCC(=CC1)c2ccc(cc2)F)NC(=O)CN3CCc4cccc5c4[C@@H]3CNC5=O	15S	n-{(2s)-1-[4-(4-fluorophenyl)-3,6-dihydropyridin-1(2h)-yl]-1-oxopropan-2-yl}-2-[(9ar)-7-oxo-2,3,7,8,9,9a-hexahydro-1h-benzo[de][1,7]naphthyridin-1-yl]acetamide
C[C@H](c1nc2cnc3c(c2n1C4CCC(CC4)CCC#N)cc[nH]3)O	15T	3-(trans-4-{2-[(1r)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl}cyclohexyl)propanenitrile
[H]/N=C(\N)/NCCC[C@@H](C(=O)N1CC[C@H](C[C@@H]1C(=O)O)C)NS(=O)(=O)c2cccc3c2NC[C@H](C3)C	15U	(2r,4r)-4-methyl-1-(n~2~-{[(3s)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}-l-arginyl)piperidine-2-carboxylic acid
Cc1cc(n(n1)c2cccc(c2)Cl)NC(=O)c3cnn4c3nccc4	15V	n-[1-(3-chlorophenyl)-3-methyl-1h-pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
COc1ccc(cc1)C2=CC(=O)c3ccc(cc3O2)O	15W	7-hydroxy-2-(4-methoxyphenyl)-4h-chromen-4-one
COc1ccc(c(c1c2cccc(c2)N(=O)=O)F)Cc3ccc(cc3)NC(=O)N	15X	1-{4-[(2-fluoro-6-methoxy-3'-nitrobiphenyl-3-yl)methyl]phenyl}urea
C[C@H]1Cc2cccc(c2NC1)S(=O)(=O)O	15Y	(3s)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonic acid
c1cc(c(cc1C2=CC(=O)c3ccc(cc3O2)O)O)O	15Z	2-(3,4-dihydroxyphenyl)-7-hydroxy-4h-chromen-4-one
CC(=O)[C@H](CC(=O)O)NS(=O)(=O)c1cccc(c1)CSSCCNC(=O)c2ccc(s2)S(=O)(=O)C	160	3-(3-{2-[(5-methanesulfonyl-thiophene-2-carbonyl)-amino]-ethyldisulfanylmethyl}- benzenesulfonylamino)-4-oxo-pentanoic acid
CC(=O)[C@H](CC(=O)O)NC(=O)c1ccc(cc1)CNS(=O)(=O)c2ccc(c(c2)C(=O)O)O	161	5-[4-(1-carboxymethyl-2-oxo-propylcarbamoyl)-benzylsulfamoyl]-2-hydroxy-benzoic acid
Cn1cc(cc1C(=N)N)CNC(=O)c2cccn2C(=O)[C@@H](CC3CCCCC3)NCC(=O)O	162	(2-{2-[(5-carbamimidoyl-1-methyl-1h-pyrrol-3-ylmethyl)-carbamoyl]-pyrrol-1-yl} -1-cyclohexylmethyl-2-oxo-ethylamino)-acetic acid
Cn1c(ccc1C(=N)N)CNC(=O)c2cccn2C(=O)[C@@H](CC3CCCCC3)NCC(=O)O	163	(2-{2-[(5-carbamimidoyl-1-methyl-1h-pyrrol-2-ylmethyl)-carbamoyl]-pyrrol-1-yl}- 1-cyclohexylmethyl-2-oxo-ethylamino)-acetic acid
C1=C[C@H]([C@@H](C(=C1)C(=O)CCC(=O)O)C(=O)O)O	164	2-(3-carboxypropionyl)-6-hydroxy-cyclohexa-2,4-diene carboxylic acid
c1ccc(cc1)CS(=O)(=O)N[C@H](CC2CCCCC2)C(=O)N3CCC[C@H]3C(=O)Nc4ccc5c(c4)sc(n5)N	165	n-(benzylsulfonyl)-3-cyclohexylalanyl-n-(2-amino-1,3-benzothiazol-6-yl)prolinamide
c1cc(ccc1c2ccc3c(c2)[C@@H]([C@H](C3)O)[C@@H](CCCCC(=N)N)C(=O)O)O	166	6-carbamimidoyl-2-[2-hydroxy-6-(4-hydroxy-phenyl)-indan-1-yl]-hexanoic acid
COc1cccc(c1)c2ccc3c(c2)C[C@@H]([C@H]3[C@@H](CCCCC(=N)N)C(=O)O)O	167	6-carbamimidoyl-2-[2-hydroxy-5-(3-methoxy-phenyl)-indan-1-yl]-hexanoic acid
CC(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COC(=O)C(C)(C)C)O	168	pantothenyl-aminoethanol-acetate pivalic acid
CC(C)(C)NC(=O)N1CCN(CC1)C(=O)N[C@@H]([C@@H](CCCNC(=N)N)C=O)C(=O)O	169	1-(4-tert-butylcarbamoyl-piperazine-1-carbonyl)-3-(3-guanidino-propyl)-4-oxo-azetidine-2-carboxylic acid
CCCCCCCCCCCCCCCC[N+](C)(C)C	16A	cetyl-trimethyl-ammonium
C1=CN(C(=O)N=C1NO)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	16B	n-hydroxycytidine 5'-(dihydrogen phosphate)
CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](\C=C\CCCCCCCCCCCCC)O	16C	n-((e,2s,3r)-1,3-dihydroxyoctadec-4-en-2-yl)palmitamide
C(CCCN)CCN	16D	hexane-1,6-diamine
C(CCCCCCCC(=O)O)CCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O	16E	n-(16-carboxyhexadecanoyl)-l-glutamic acid
c1cc(cc(c1)O)/C=N\NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	16F	n-({(2z)-2-[(3-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O	16G	2-acetamido-2-deoxy-6-o-phosphono-alpha-d-glucopyranose
CCCCCCCCCCCCCCCC(=O)N[C@H](C[C@H](c1ccccc1)O)CO	16H	n-[(1r,3r)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]hexadecanamide
c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)NC(=O)c4cccs4	16I	n-[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]thiophene-2-carboxamide
c1cc(ccc1N2CCN(CC2)C(=O)N3CCOCC3)Cl	16J	[4-(4-chlorophenyl)piperazin-1-yl](morpholin-4-yl)methanone
Cc1c(sc(n1)C)c2ccnc(n2)Nc3cccc(c3)[N+](=O)[O-]	16K	4-(2,4-dimethyl-1,3-thiazol-5-yl)-n-(3-nitrophenyl)pyrimidin-2-amine
Cc1cc(cc(c1O)C)/C=C/c2cccc(c2)NC(=O)C=C	16L	n-{3-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]phenyl}prop-2-enamide
CCSc1ccccc1	16M	(ethylsulfanyl)benzene
c1ccc2c(c1)CCC2	16N	2,3-dihydro-1h-indene
c1cc(ccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Br	16O	n-({(2e)-2-[(4-bromophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
CCOCCOCCOCCOCCOCCOCC	16P	3,6,9,12,15,18-hexaoxaicosane
CCOc1ccccc1	16Q	ethoxybenzene
CSc1ccccc1	16R	(methylsulfanyl)benzene
c1ccc2c(c1)C(=O)C=C(O2)c3ccc(c(c3)O)O	16S	2-(3,4-dihydroxyphenyl)-4h-chromen-4-one
CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)S(=O)(=O)c3ccc(c(c3)Oc4cccc(c4)Cl)O	16T	1-[(3s)-1-{[3-(3-chlorophenoxy)-4-hydroxyphenyl]sulfonyl}piperidin-3-yl]-5-methylpyrimidine-2,4(1h,3h)-dione
CC(C)CCC(=O)N1CCC[C@H]1C(=O)NCc2cccc(c2)Cl	16U	n-(3-chlorobenzyl)-1-(4-methylpentanoyl)-l-prolinamide
Cc1c(c(n[nH]1)C)CCCOc2cc(ccc2F)C(=O)O	16V	3-[3-(3,5-dimethyl-1h-pyrazol-4-yl)propoxy]-4-fluorobenzoic acid
c1cc(cc(c1)Cl)OCc2c3c(ncnc3n(n2)C4CCOCC4)N	16W	3-[(3-chlorophenoxy)methyl]-1-(tetrahydro-2h-pyran-4-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
Cc1c(sc(n1)N)c2ccnc(n2)Nc3cccc(c3)n4oo4	16X	4-(2-amino-4-methyl-1,3-thiazol-5-yl)-n-(3-dioxaziridin-3-ylphenyl)pyrimidin-2-amine
C(CCCCCCCC(=O)O)CCCCCCCO	16Y	16-hydroxyhexadecanoic acid
C[C@H]1[C@H]([C@H]([C@@H](N1C)c2ccc(cc2)OC)O)O	16Z	(2s,3s,4r,5s)-2-(4-methoxyphenyl)-1,5-dimethylpyrrolidine-3,4-diol
c1cc[n+](c(c1)C(CNC2=NC=C(N(C2=O)CC(=O)NCc3cc(ccc3n4cnnn4)Cl)Cl)(F)F)[O-]	170	(2-[6-chloro-3-{[2,2-difluoro-2-(1-oxidopyridin-2-yl)ethyl]amino}-2-oxopyrazin-1(2h)-yl]-n-[5-chloro-2-(1h-tetrazol-1-yl)benzyl]acetamide
c1ccc(cc1)NCCS(=O)(=O)O	171	2-phenylamino-ethanesulfonic acid
c1cc2c(cc1O)nc([nH]2)N	172	2-amino-5-hydroxy-benzimidazole
c1ccc(cc1)C(=O)C(=O)O	173	benzoyl-formic acid
c1cc(ccc1C(=O)O)Cl	174	4-chloro-benzoic acid
C[C@@H](C1NC(C(=O)N1CC(=O)O)CN)N	175	3,5-dihydro-5-methylidene-4h-imidazol-4-on
c1ccc(cc1)C(c2ccccc2)[C@H](C(=O)N3CCC[C@H]3C(=O)NCc4cc(ccc4Cl)Cl)N	176	1-(2-amino-3,3-diphenyl-propionyl)-pyrrolidine-3-carboxylic acid 2,5-dichloro-benzylamide
CCNC(=O)COc1ccc(cc1CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](C3CCCCC3)N)Cl	177	1-[2-amino-2-cyclohexyl-acetyl]-pyrrolidine-3-carboxylic acid 5-chloro-2-(2-ethylcarbamoyl-ethoxy)-benzylamide
CC(C)c1cc(ccc1O)Sc2ccc(c(c2)C(C)C)O	178	4-(4-hydroxy-3-isopropylphenylthio)-2-isopropylphenol
c1ccc2cc(ccc2c1)NC(=O)C(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	179	n-[(naphthalen-2-ylamino)(oxo)acetyl]-beta-d-glucopyranosylamine
CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)c2ccccc2)[P@@](=O)(C[C@@H](c3cccc(c3)CN)C(=O)O)O	17A	(2s)-2-[3-(aminomethyl)phenyl]-3-[(r)-{(1r)-1-[(biphenyl-4-ylsulfonyl)amino]-2-methylpropyl}(hydroxy)phosphoryl]propanoic acid
C(CC/N=C\1/[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O)CN	17B	(2z,3r,4s,5r,6r)-2-[(4-aminobutyl)imino]-6-(hydroxymethyl)piperidine-3,4,5-triol
c1ccc(c(c1)C(=O)O)Nc2ccccc2C(=O)O	17C	2,2'-iminodibenzoic acid
c1ccc(cc1)Cc2ccccc2C(=O)O	17D	2-benzylbenzoic acid
CC1=CNC(=O)N=C1N	17E	5-methylcytosine
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC/C=C\CCCCCCCC	17F	o-[(s)-({(2r)-2,3-bis[(9z)-octadec-9-enoyloxy]propyl}oxy)(hydroxy)phosphoryl]-l-serine
c1cc(cc(c1)N2c3c4cc(ccc4ncc3C=CC2=O)c5ccc(nc5)N)C(F)(F)F	17G	9-(6-aminopyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2(1h)-one
CC[C@@]1(CC[C@@H]2[C@@]1(C=CC3=C4CCC(=O)C=C4CC[C@@H]23)CC)O	17H	17-hydroxy-18a-homo-19-nor-17alpha-pregna-4,9,11-trien-3-one
[H]/N=C(\NC)/NC(=O)Nc1c(cccc1CC)CC	17I	n-(2,6-diethylphenyl)-n'-(n-methylcarbamimidoyl)urea
c1ccc(cc1)c2nc(sn2)N3CCN(CC3)C(=O)Nc4cccnc4	17J	4-(3-phenyl-1,2,4-thiadiazol-5-yl)-n-(pyridin-3-yl)piperazine-1-carboxamide
C[C@](COC(=O)Cc1ccccc1)([C@H](C(=O)O)Nc2c(cc3n2cccc3)C=O)S(=O)O	17K	(3r)-n-(2-formylindolizin-3-yl)-4-[(phenylacetyl)oxy]-3-sulfino-d-valine
CCOc1cc2ccccc2c(c1)CNC(=O)c3c(cc(c4c3OC5=CC(=C(C(=O)[C@@]45C)C(=O)C)O)O)OC	17L	(9as)-8-acetyl-n-[(3-ethoxynaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide
C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CC[C@@]2(C)O)O	17M	17-methyl-17-alpha-dihydroequilenin
COc1cccc2c1cc(c3c2c4c(cc3C(=O)O)OCO4)C(=O)O	17N	8-methoxyphenanthro[3,4-d][1,3]dioxole-5,6-dicarboxylic acid
c1c2n(nc1C3C(=CNC(=CS3)C(=O)O)C=O)CSC2	17O	(7r)-6-formyl-7-(4h-pyrazolo[1,5-c][1,3]thiazol-2-yl)-4,7-dihydro-1,4-thiazepine-3-carboxylic acid
Cn1cc(cn1)c2ccc3c(c2)[nH]c4c3c(ncc4C(=O)N)NC5CCCCC5	17P	1-(cyclohexylamino)-7-(1-methyl-1h-pyrazol-4-yl)-5h-pyrido[4,3-b]indole-4-carboxamide
CN(C)CCCCCOC1CCCCCCCCCCC1	17Q	1.7.6 5-cyclododecyloxy-n,n-dimethyl-pentan-1-amine
C[C@@H]1C[N@](CC[N@@]1S(=O)(=O)c2cccc(c2)n3cncn3)c4ccc(cc4C(F)(F)F)F	17R	(2r)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-{[3-(1h-1,2,4-triazol-1-yl)phenyl]sulfonyl}piperazine
COc1ccc(cc1)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	17S	n-({(2e)-2-[(4-methoxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
c1cc(ccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Cl	17T	n-({(2e)-2-[(4-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
CC(C)C[C@@H]([C@H](C(=C)C)O)N	17U	(3s,4s)-4-amino-2,6-dimethylhept-1-en-3-ol
CC(C)n1c(ncn1)c2cc3c(s2)-c4ccc(cc4OCC3)C(=O)N	17V	2-[1-(propan-2-yl)-1h-1,2,4-triazol-5-yl]-4,5-dihydrothieno[3,2-d][1]benzoxepine-8-carboxamide
c1ccc(cc1)OCCSc2[nH]c3ccccc3n2	17W	2-[(2-phenoxyethyl)sulfanyl]-1h-benzimidazole
c1ccc(cc1)Cn2c3ccccc3nc2N4CCC(CC4)C(=O)OC[C@H](C5CCNCC5)n6c7ccccc7nc6c8ccccc8	17X	(2s)-2-(2-phenyl-1h-benzimidazol-1-yl)-2-(piperidin-4-yl)ethyl 1-(1-benzyl-1h-benzimidazol-2-yl)piperidine-4-carboxylate
C1C[C@H]([C@H](C1)O)O	17Y	(1r,2s)-cyclopentane-1,2-diol
Cc1cc(c2ccccc2c1O)O	17Z	2-methylnaphthalene-1,4-diol
c1cc(cnc1)S(=O)(=O)N[C@H](CNC(=O)c2cc3cc(sc3s2)CCC4CCNCC4)C(=O)O	180	2-(s)-[n-(3-pyridylsulfonyl)amino]-3-[[2-carbonyl-5-[2-(piperidin-4-yl)ethyl]-thieno[2,3-b]thiopheneyl]amino]-propionic acid
c1ccc(cc1)SC2=CN(C(=O)NC2=O)COCCO	181	1-((2-hydroxyethoxy)methyl)-5-(phenylthio)pyrimidine-2,4(1h,3h)-dione
c1ccc(cc1)[Se]C2=CN(C(=O)NC2=O)COCCO	182	1-((2-hydroxyethoxy)methyl)-5-(phenylselanyl)pyrimidine-2,4(1h,3h)-dione
c1ccc(cc1)COc2cccc(c2)CC3=CN(C(=O)NC3=O)COCCO	183	1-((2-hydroxyethoxy)methyl)-5-(3-(benzyloxy)benzyl)pyrimidine-2,4(1h,3h)-dione
CC1(CCC(c2c1ccc(c2)[C@H](c3ccc4cc(ccc4c3)C(=O)O)O)(C)C)C	184	6-[hydroxy-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphtalen-2-yl)-methyl]-naphtalene-2-carboxylic acid
Cc1cc(cc(c1Oc2c(c(nc(n2)Nc3ccc(cc3)C#N)CO)Br)C)C#N	185	(6-[4-(aminomethyl)-2,6-dimethylphenoxy]-2-{[4-(aminomethyl)phenyl]amino}-5-bromopyrimidin-4-yl)methanol
C[C@@H](\C=C\C(=O)C=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc2ccccc2	186	[1-(1-methyl-4,5-dioxo-pent-2-enylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester
c1ccc2c(c1)ncn2c3ccc(c(c3)F)NC(=O)c4cc(nn4c5cccc(c5)C(=N)N)C(F)(F)F	187	1-{3-[amino(imino)methyl]phenyl}-n-[4-(1h-benzimidazol-1-yl)-2-fluorophenyl]-3-(trifluoromethyl)-1h-pyrazole-5-carboxamide
C[N@@]12[C@H]3CS[C@@H]1[C@H]4CSC5=[N]4[Fe]2(Oc6c5cccc6)OC3=O	188	pyochelin fe(iii)
Cc1cccc(c1OCC(=O)N(Cc2ccccc2)C[C@H]3CNC[C@@H]3C[N@@](CC(C)C)S(=O)(=O)c4ccccc4)C	189	n-benzyl-2-(2,6-dimethylphenoxy)-n-[((3r,4s)-4-{[isobutyl(phenylsulfonyl)amino]methyl}pyrrolidin-3-yl)methyl]acetamide
CCC(=O)Nc1ccc(cc1)/C=C/c2cc(c(c(c2)C)O)C	18A	n-{4-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]phenyl}propanamide
CCC1=C(/C(=C/c2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C\4/C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O)C)/NC1=O)C	18B	3-[2-[(z)-[3-(2-carboxyethyl)-5-[(z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-2-ylidene]methy l]-5-[(z)-(4-ethyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](\C=C\CCCCCCCCCCCCC)O	18C	n-((e,2s,3r)-1,3-dihydroxyoctadec-4-en-2-yl)stearamide
CCC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O	18D	3,5-dideoxy-5-(propanoylamino)-d-glycero-alpha-d-galacto-non-2-ulopyranosonic acid
Cc1cnc(c2c1[nH]c3c2ccc4c3ccc(c4)O)Cl	18E	7-chloro-10-methyl-11h-benzo[g]pyrido[4,3-b]indol-3-ol
c1ccc(cc1)Cn2c3ccccc3nc2c4ccccc4	18F	1-benzyl-2-phenyl-1h-benzimidazole
Cc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(c(cc2OC)c3ccccc3)OC	18G	5-[3-(2,5-dimethoxy-4-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
Cc1c(c(nc(n1)N)N)C#C[C@H](C)c2ccc(cc2OC)c3ccccc3	18H	5-[3-(2-methoxy-4-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)c5cccc(c5)F	18I	3,3'-difluoro-n-[(2s)-3-(1h-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]biphenyl-4-carboxamide
CCS(=O)(=O)Nc1ccc(cc1)/C=C/c2cc(c(c(c2)C)O)C	18J	n-{4-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]phenyl}ethanesulfonamide
Cc1c(sc(n1)N)c2ccnc(n2)Nc3ccc(cc3)N(C)C	18K	n'-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-n,n-dimethylbenzene-1,4-diamine
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O	18L	(2r)-2-hydroxy-3-(phosphonooxy)propyl (9z,12z)-octadeca-9,12-dienoate
CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2NC(=NC3=O)N)COP(=O)(O)O)OP(=O)(O)O	18M	2'-o-methylguanosine 3',5'-bis(dihydrogen phosphate)
c1cc2cccc3c2c(c1)C(=O)NC3=O	18N	1h-benzo[de]isoquinoline-1,3(2h)-dione
c1cc(ccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-]	18O	n-({(2e)-2-[(4-nitrophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
C[C@]1(C(=O)N(CC(=N1)N)C)c2cccc(c2)NC(=O)c3ccc(cn3)Cl	18P	n-{3-[(2r)-6-amino-2,4-dimethyl-3-oxo-2,3,4,5-tetrahydropyrazin-2-yl]phenyl}-5-chloropyridine-2-carboxamide
c1cc(sc1)CNC(=O)C2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	18Q	2'-deoxy-5-[(thiophen-2-ylmethyl)carbamoyl]uridine 5'-(dihydrogen phosphate)
CC(C)(C)c1cccc(c1)NC(=O)c2cccc(c2)c3c4c(ncnc4n(n3)[C@@H]5CCCN(C5)C(=O)C=C)N	18R	3-{1-[(3r)-1-acryloylpiperidin-3-yl]-4-amino-1h-pyrazolo[3,4-d]pyrimidin-3-yl}-n-(3-tert-butylphenyl)benzamide
Cc1ccc(cc1)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	18S	n-({(2e)-2-[(4-methylphenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O	18T	[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl (2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yl dihydrogen diphosphate
c1cc(ccc1CNS(=O)(=O)c2ccsc2C(=O)O)C(=O)O	18U	3-[(4-carboxybenzyl)sulfamoyl]thiophene-2-carboxylic acid
CCCc1c(nc(s1)c2ccc(c(c2)OCCF)OC)CSc3nc(cc(n3)N)N	18V	2-[({2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine
Cc1c(c(c([nH]1)/C=C\2/C(=C(C(=O)N2)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O	18W	3-[(5z)-5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1h-pyrrol-2-yl]methylidene}-4-(carboxymethyl)-2-oxo-2,5-dihydro-1h-pyrrol-3-yl]propanoic acid
COC(=O)/C(=C\1/N(C(=O)CS1)c2ccc(cc2F)c3ccccc3)/C#N	18X	methyl (2z)-cyano[3-(3-fluorobiphenyl-4-yl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate
Cc1cc2c(c(c3c(c2OC)CCCC3=O)O)c4c1[C@H]5[C@H]6[C@@](O4)([C@]([C@@](O5)(O6)C(OC)OC)(C)O)O[C@H]7C[C@H]([C@]([C@@H](O7)C)(C(=O)C)O)O	18Y	trioxacarcin a analogue, bound form
c1c(c(cc(c1[N+](=O)[O-])NCCN2CCNCC2)NCc3cnc(nc3)N)C(=O)N	18Z	2-{[(2-aminopyrimidin-5-yl)methyl]amino}-5-nitro-4-{[2-(piperazin-1-yl)ethyl]amino}benzamide
Cc1cccc(c1OCC(=O)N[C@@H](Cc2cccc(c2)Br)[C@@H](C[C@H](CC(C)C)S(=O)(=O)c3ccc(cc3)F)O)C	190	n-{(1s)-1-(3-bromobenzyl)-4-[(4-bromophenyl)sulfonyl]-6-methyl-2-oxoheptyl}-2-(2,6-dimethylphenoxy)acetamide
CCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)[n+]2cnc-3c([nH]cnc23)N)O)OP(=O)(O)O)O	191	propionyl coenzyme a
C1CC(C1)(C(=O)O)N	192	1-aminocyclobutanecarboxlic acid
C(CNC(=O)CCN)[C@@H](C(=O)O)N	193	(2s)-4-(beta-alanylamino)-2-aminobutanoic acid
c1ccc(c(c1)NC(=O)c2cccc(c2)[N+](=O)[O-])Oc3ccc(c(c3)C(=O)O)C(=O)O	194	4-{2-[(3-nitrobenzoyl)amino]phenoxy}phthalic acid
c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc2ccc(c(c2)NC(=O)c3cccc(c3)[N+](=O)[O-])Oc4ccc(c(c4)C(=O)O)C(=O)O	195	4-{2,4-bis[(3-nitrobenzoyl)amino]phenoxy}phthalic acid
c1cc(cc2c1cc(cc2C#N)c3ccc(c(c3)F)O)O	196	3-(3-fluoro-4-hydroxyphenyl)-7-hydroxy-1-naphthonitrile
CC(=O)N[C@@H](Cc1ccc(c(c1)C=O)C(=O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4	197	4-[2-acetylamino-2-(1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]-2-formyl-benzoic acid
C[C@](CS(=O)(=O)c1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O	198	r-bicalutamide
CN1CCN(CC1)c2ccc(cc2)c3cc4c(c[nH]c4nc3)NC(=O)c5cccnc5	199	n-{5-[4-(4-methylpiperazin-1-yl)phenyl]-1h-pyrrolo[2,3-b]pyridin-3-yl}nicotinamide
CN(C)C(=O)c1cc(c[nH]1)c2c(c[nH]n2)c3ccccc3	19A	n,n-dimethyl-4-(4-phenyl-1h-pyrazol-3-yl)-1h-pyrrole-2-carboxamide
Cc1ccc(cc1c2ccc3c(c2)onc3C4CCNCC4)C(=O)Nc5cccc(c5)N6CCOCC6	19B	4-methyl-n-(3-morpholin-4-ylphenyl)-3-(3-piperidin-4-yl-1,2-benzisoxazol-6-yl)benzamide
c1cc(c(cc1CN2Cc3ccc(c(c3C2=O)O)O)Cl)F	19C	2-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-6,7-bis(oxidanyl)isoindol-1-one
CC(=O)N[C@@H]1[C@H]([C@H]([C@@]2(O[C@H]1[C@H](O2)[C@@H](CO)O)C(=O)O)F)O	19D	(1r,2r,3r,4r,5r,7r)-2-(acetylamino)-7-[(1r)-1,2-dihydroxyethyl]-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid
Cc1cnc(c2c1[nH]c3c2c4ccc(cc4cc3)O)Cl	19E	11-chloro-8-methyl-7h-benzo[e]pyrido[4,3-b]indol-3-ol
Cc1c2n(c(n1)[C@@H](CCCc3ccccc3)[C@@H](C)O)N=C(NC2=O)Cc4ccc(c(c4)OC)OC	19F	2-(3,4-dimethoxybenzyl)-7-[(2r,3r)-2-hydroxy-6-phenylhexan-3-yl]-5-methylimidazo[5,1-f][1,2,4]triazin-4(3h)-one
Cc1cc(cc(c1Cl)C)OCCCc2c3ccccc3sc2C(=O)O	19G	3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-benzothiophene-2-carboxylic acid
Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(cc3[nH]c2C(=O)O)Cl	19H	6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1h-indole-2-carboxylic acid
c1c(nc2c(n1)C(=O)N=C(N2)N)C(=O)NCC(=O)NCC(=O)O	19J	2-[2-[(2-azanyl-4-oxidanylidene-1h-pteridin-7-yl)carbonylamino]ethanoylamino]ethanoic acid
Cc1c(sc(n1)C)c2ccnc(n2)Nc3ccc(c(c3)[N+](=O)[O-])N(C)C	19K	n~4~-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-n~1~,n~1~-dimethyl-2-nitrobenzene-1,4-diamine
c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)c3cnc4c(n3)NC(=NC4=O)N	19L	(2s)-2-[[(2s)-2-[(2-azanyl-4-oxidanylidene-1h-pteridin-7-yl)carbonylamino]-3-oxidanyl-propanoyl]amino]-3-(1h-indol-3-yl)propanoic acid
c1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)O)NC(=O)CNC(=O)c3cnc4c(n3)NC(=NC4=O)N	19M	(2s)-2-[[(2s)-2-[2-[(2-azanyl-4-oxidanylidene-1h-pteridin-7-yl)carbonylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid
[H]/N=C(\N)/NCCCC[C@H](N)P(=O)(O)O	19N	[(1r)-1-amino-5-carbamimidamidopentyl]phosphonic acid
	19O	natrium-(5,7 ,9 ,11 ,16 ,18 ,20 ,22 )-5,7,9,11,16,18,20,22-octahydro-5,22:7,20:9,18:11,16-tetramethanononacen-8,19-bisphosphate
Cc1ccc(cn1)c2ccc3c(n2)c4c(cn3)N(C(=O)N4C5CCN(CC5)C(=O)[C@H](C)O)C	19P	1-{1-[(2s)-2-hydroxypropanoyl]piperidin-4-yl}-3-methyl-8-(6-methylpyridin-3-yl)-1,3-dihydro-2h-imidazo[4,5-c][1,5]naphthyridin-2-one
C[C@@H](C(C)(C)O)NC(=O)c1c[nH]c2c1nc(cn2)C3CC3	19Q	2-cyclopropyl-n-[(2s)-3-hydroxy-3-methylbutan-2-yl]-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide
C[C@H](C(C)(C)O)NC(=O)c1c[nH]c2c1nc(cn2)C3CC3	19R	2-cyclopropyl-n-[(2r)-3-hydroxy-3-methylbutan-2-yl]-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide
C[C@H](C(=O)N1CCCCC1)NC(=O)c2c[nH]c3c2nc(cn3)C4CC4	19S	2-cyclopropyl-n-[(2r)-1-oxo-1-(piperidin-1-yl)propan-2-yl]-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide
CCc1c(nc(nc1Nc2ccc(cc2)CC(=O)O)c3ccc(s3)Cl)C	19T	(4-{[2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpyrimidin-4-yl]amino}phenyl)acetic acid
CC[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cccc(c2)Cl)N	19U	1-[(2r)-2-aminobutanoyl]-n-(3-chlorobenzyl)-l-prolinamide
CC(C)(C)N1CCN(CC1)c2ccc(nc2)N3CCN(c4c3cccc4)C(=O)NC5[C@@H]6CC7C[C@H]5CC(C6)(C7)C(=O)N	19V	4-[5-(4-tert-butylpiperazin-1-yl)pyridin-2-yl]-n-[(1r,2s,3s,5s,7s)-5-carbamoyltricyclo[3.3.1.1~3,7~]dec-2-yl]-3,4-dihydroquinoxaline-1(2h)-carboxamide
C(C[C@@H](C(=O)O)N)CON	19W	5-(aminooxy)-l-norvaline
CCc1c(c2c([nH]1)nc(nc2N3CC[C@H](C3)N)Sc4ccc5c(c4)C(=O)N=C5)Cl	19X	6-({4-[(3r)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7h-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)-1h-isoindol-1-one
CCc1c(c2c([nH]1)nc(nc2OC)Sc3cccnc3)C=O	19Y	6-ethyl-4-methoxy-2-(pyridin-3-ylsulfanyl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde
c1cc(ccc1CNc2ccc(cc2C(=O)N)[N+](=O)[O-])O	19Z	2-[(4-hydroxybenzyl)amino]-5-nitrobenzamide
CCc1c(c2c([nH]1)nc(nc2N3CC[C@H](C3)N)Sc4cc5c(nccn5)nc4)Cl	1A0	(3r)-1-[5-chloro-6-ethyl-2-(pyrido[2,3-b]pyrazin-7-ylsulfanyl)-7h-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine
c1cc(cnc1)c2nc3c(nc(nc3s2)NC(=O)C4CC4)n5ccnc5	1A1	n-[7-(1h-imidazol-1-yl)-2-(pyridin-3-yl)[1,3]thiazolo[5,4-d]pyrimidin-5-yl]cyclopropanecarboxamide
CCN1c2c(ccc(c2C(=NC13CCN(CC3)C(=O)C4=CN=C(CC4)C#N)N)F)F	1A2	5-(4'-amino-1'-ethyl-5',8'-difluoro-1'h-spiro[piperidine-4,2'-quinazoline]-1-ylcarbonyl)picolinonitrile
c1ccc(cc1)CS(=O)(=O)Nc2cccc(c2)C3=CSC(=O)N3	1A3	n-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]-1-phenylmethanesulfonamide
c1cc(cc(c1)NS(=O)(=O)c2cccs2)C3=CSC(=O)N3	1A4	n-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide
c1cc(ccc1C(=O)N)N2CCOC2=O	1A5	4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
Cc1cc(on1)CSc2nnc3n2cccc3	1A6	3-{[(3-methyl-1,2-oxazol-5-yl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyridine
c1ccc(c(c1)C2=CSC(=O)N2)F	1A7	4-(2-fluorophenyl)-1,3-thiazol-2(3h)-one
CCCC(=O)Nc1cc(cc(c1)NS(=O)(=O)c2cccs2)C3=CSC(=O)N3	1A8	n-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}butanamide
c1cc(sc1)S(=O)(=O)Nc2cc(cc(c2)NC(=O)CCC3CCCCC3)C4=CSC(=O)N4	1A9	3-cyclohexyl-n-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}propanamide
c1ccc(c(c1)C(=O)OCCO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)N	1AA	5'-o-[({[(2-{[(2-aminophenyl)carbonyl]oxy}ethyl)oxy]phosphinato}oxy)phosphinato]cytidine
C1[C@H]([C@@H]([C@H](N1)CO)O)O	1AB	1,4-dideoxy-1,4-imino-d-arabinitol
C1CC1(C(=O)O)N	1AC	1-aminocyclopropanecarboxylic acid
CC#C[C@H]1CC[C@H](N1C(=O)[C@H](C2CCCC2)N)CN	1AD	(1s)-2-[(2s,5r)-2-(aminomethyl)-5-prop-1-yn-1-ylpyrrolidin-1-yl]-1-cyclopentyl-2-oxoethanamine
CCCC(=O)/C(=C/OP(=O)(O)O)/O	1AE	(1z)-2-hydroxy-3-oxohex-1-en-1-yl dihydrogen phosphate
c1cc(ccc1c2cc(oc2)c3ccc(cc3)C(N)NC4CCCC4)C(N)NC5CCCC5	1AF	2,4-bis{[4-(n-cyclopentyldiaminomethyl)phenyl]}furan
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)O	1AG	(2s)-2,3-dihydroxypropyl (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenoate
CC(C)(C)[C@@H](C(=O)N[N@](Cc1ccc(cc1)Br)C[C@@](Cc2ccccc2)(C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)NC(=O)OC	1AH	3-amino-3-benzyl-[4.3.0]bicyclo-1,6-diazanonan-2-one
Cc1ccccc1CNc2c(nccn2)C(=O)NCc3ccccc3C	1AI	~{n}-[(2-methylphenyl)methyl]-3-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide
c1csc2c1CN(CC2)C(=O)n3ccnc3	1AJ	6,7-dihydrothieno[3,2-c]pyridin-5(4h)-yl(1h-imidazol-1-yl)methanone
CS(=O)(=O)c1ccc(nc1)c2nnc(n2c3ccccc3Cl)/C=C/c4nnc(o4)c5ccc(cc5)C#N	1AK	4-{5-[(e)-2-{4-(2-chlorophenyl)-5-[5-(methylsulfonyl)pyridin-2-yl]-4h-1,2,4-triazol-3-yl}ethenyl]-1,3,4-oxadiazol-2-yl}benzonitrile
C(C(=O)[O-])(NC(=O)N)NC(=O)N	1AL	allantoate ion
COc1ccc2c(c1)C(=O)N(C2)c3nc(cs3)C(=O)Nc4cnccc4N5CCNCC5	1AM	2-(6-methoxy-1-oxo-1,3-dihydro-2h-isoindol-2-yl)-n-[4-(piperazin-1-yl)pyridin-3-yl]-1,3-thiazole-4-carboxamide
c1ccc(c(c1)N)F	1AN	2-fluoroaniline
c1ccc2c(c1)cnn2c3nc(cs3)C(=O)Nc4ccccc4N5CCNCC5	1AO	2-(1h-indazol-1-yl)-n-[2-(piperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
c1nc2c(nc(nc2n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N)N	1AP	2,6-diaminopurine nucleotide
CCO[C@@H]1C[C@@H]2CN([C@@H](CN2C1)C(=O)N[C@@H]3CCOc4c3cccc4)C(=O)[C@H](C5CCC(CC5)(F)F)NC(=O)[C@H](C)NC	1AQ	(3s,7r,8ar)-2-{(2s)-2-(4,4-difluorocyclohexyl)-2-[(n-methyl-l-alanyl)amino]acetyl}-n-[(4r)-3,4-dihydro-2h-chromen-4-yl]-7-ethoxyoctahydropyrrolo[1,2-a]pyrazine-3-carboxamide
C[C@H]1[C@@H]([C@@](C[C@H](O1)O)(C)O)OC(=O)C	1AR	4-o-acetyl-2,6-dideoxy-3-c-methyl-alpha-l-arabino-hexopyranose
CC(=CCc1c2c(cc(c1OC)OCc3ccc(cc3)F)Oc4cc5c(c(c4C2=O)OC/C=C/C(=O)O)C=CC(O5)(C)C)C	1AS	(~{e})-4-[9-[(4-fluorophenyl)methoxy]-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid
CCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O	1AT	beta-d-fructofuranosyl 6-o-decanoyl-alpha-d-glucopyranoside
CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3cccc4c3cccc4	1AU	1-[1-(3-aminophenyl)-3-tert-butyl-1h-pyrazol-5-yl]-3-naphthalen-1-ylurea
c1cc(cnc1)c2nc3c(nc(nc3s2)N)n4ccnc4	1AV	7-(1h-imidazol-1-yl)-2-(pyridin-3-yl)[1,3]thiazolo[5,4-d]pyrimidin-5-amine
CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3ccccc3	1AW	1-[1-(3-aminophenyl)-3-tert-butyl-1h-pyrazol-5-yl]-3-phenylurea
C([C@H](COC[C@@H](CO)O)O)O	1AX	(2r,2'r)-3,3'-oxydipropane-1,2-diol
Cc1c(c(nc(n1)c2ccc(cn2)Cl)NC[C@@H](c3ccccc3)NCCCCc4ccccc4)Cl	1AY	(1r)-n~2~-[5-chloro-2-(5-chloropyridin-2-yl)-6-methylpyrimidin-4-yl]-1-phenyl-n~1~-(4-phenylbutyl)ethane-1,2-diamine
Cn1c2c(nc1N3CCOCC3)N(C(=O)N(C2=O)Cc4ccc(c(c4)Cl)Cl)C	1AZ	1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-morpholin-4-yl-3,7-dihydro-1h-purine-2,6-dione
Cc1c(c2ccccc2[nH]1)CC(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)c4ccccc4	1B0	n-methyl-nalpha-[(2-methyl-1h-indol-3-yl)acetyl]-n-phenyl-l-phenylalaninamide
CC#Cc1cc(cnc1)c2cccc(c2)[C@@]3(N=C(C(=N3)N)C)C4CC4	1B1	(2r)-2-cyclopropyl-5-methyl-2-[3-(5-prop-1-yn-1-ylpyridin-3-yl)phenyl]-2h-imidazol-4-amine
C[C@H]([C@@H](C(=O)NS(=O)(=O)c1cccc(c1)c2ccc3c(c2)c[nH]n3)N)O	1B2	n-{[3-(2h-indazol-5-yl)phenyl]sulfonyl}-l-threoninamide
C[C@H]([C@@H](C(=O)NS(=O)(=O)c1cccc(c1)c2ccc3c(c2)nc(nc3N)Cl)N)O	1B3	n-{[3-(4-amino-2-chloroquinazolin-7-yl)phenyl]sulfonyl}-l-threoninamide
CC(C)NC(=O)c1c[nH]c2c1nc(cn2)c3cc(c(c(c3)OC)OC)OC	1B4	n-(propan-2-yl)-2-(3,4,5-trimethoxyphenyl)-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide
CC(C)NC(=O)c1c[nH]c2c1nc(cn2)c3c4ccc(cc4n(n3)C)Cl	1B5	2-(6-chloro-1-methyl-1h-indazol-3-yl)-n-(propan-2-yl)-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide
CC(C)(C)NC(=O)c1c[nH]c2c1nc(cn2)c3c4n(cn3)CCCC4	1B6	n-tert-butyl-2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide
CCCc1cscc1C[C@@H](C(=O)O)NC2=NC(Cc3c2ccc(c3)Cl)(C)C	1B7	n-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-(4-propylthiophen-3-yl)-l-alanine
CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3c(csc3Br)c4c[nH]nc4)C(=O)O)Cl)C	1B8	3-[2-bromo-4-(1h-pyrazol-4-yl)thiophen-3-yl]-n-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-l-alanine
CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3cscc3Br)C(=O)O)Cl)C	1B9	3-(4-bromothiophen-3-yl)-n-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-l-alanine
CC(C)c1ccc(cc1)CNNC(=O)c2ccc(cc2)O	1BA	4-hydroxy-n'-(4-isopropylbenzyl)benzohydrazide
CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3ccccc3)C4=NC(=O)C(=CN4)C#N)Cl)C	1BB	2-{(1s)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}-4-oxo-1,4-dihydropyrimidine-5-carbonitrile
CCCc1c(c(cs1)c2c[nH]nc2)C[C@@H](C3=NC(=O)CC=N3)/N=C\4/c5ccc(cc5CC(N4)(C)C)Cl	1BC	2-{(1s)-1-{[(1z)-6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1(2h)-ylidene]amino}-2-[2-propyl-4-(1h-pyrazol-4-yl)thiophen-3-yl]ethyl}pyrimidin-4(5h)-one
c1ccc(c(c1)\C=N\OCCC(=O)O)C(F)(F)F	1BD	3-[({(1e)-[2-(trifluoromethyl)phenyl]methylidene}amino)oxy]propanoic acid
CCCc1c(c(cs1)c2c[nH]nc2)C[C@@H](C(=O)O)NC3=NC(Cc4c3ccc(c4)Cl)(C)C	1BE	n-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-[2-propyl-4-(1h-pyrazol-4-yl)thiophen-3-yl]-l-alanine
CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3cscc3c4c[nH]nc4)C(=O)O)Cl)C	1BF	n-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-[4-(1h-pyrazol-4-yl)thiophen-3-yl]-l-alanine
C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H]3CCCN3C[C@H]2C(=O)N[C@@H]4CCCc5c4cccc5)NC	1BG	(3s,8ar)-2-{(2s)-2-cyclohexyl-2-[(n-methyl-l-alanyl)amino]acetyl}-n-[(1r)-1,2,3,4-tetrahydronaphthalen-1-yl]octahydropyrrolo[1,2-a]pyrazine-3-carboxamide
C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)OCc3ccccc3)O	1BH	n-benzyloxycarbonyl-ala-pro-3-amino-4-phenyl-butan-2-ol
c1ccc(cc1)S(=O)(=O)NC(=O)c2ccc3c(c2)n(c(c3C4CCCCC4)c5ccoc5)CC(=O)N6CCOCC6	1BI	3-cyclohexyl-2-(furan-3-yl)-1-[2-(morpholin-4-yl)-2-oxoethyl]-n-(phenylsulfonyl)-1h-indole-6-carboxamide
c1ccc2c(c1)cnn2c3ccnc(n3)NC4CCC(CC4)O	1BJ	trans-4-{[4-(1h-indazol-1-yl)pyrimidin-2-yl]amino}cyclohexanol
CS(=O)(=O)CCCOc1cccc2c1cnn2c3ccnc(n3)NC4CCC(CC4)O	1BK	trans-4-[(4-{4-[3-(methylsulfonyl)propoxy]-1h-indazol-1-yl}pyrimidin-2-yl)amino]cyclohexanol
CC(C)(C)c1cccc(c1)C2(CCCCC2)NC[C@H]([C@H](Cc3cc(cc(c3)F)F)NC(=O)CC[C@H](C(=O)O)O)O	1BL	(2r)-5-{[(2s,3r)-4-{[1-(3-tert-butylphenyl)cyclohexyl]amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]amino}-2-hydroxy-5-oxopentanoic acid
CCN(CC)CCNc1cc(nc(n1)n2cnc3c2cccc3)Nc4cc(ccc4C)O	1BM	3-{[2-(1h-benzimidazol-1-yl)-6-{[2-(diethylamino)ethyl]amino}pyrimidin-4-yl]amino}-4-methylphenol
c1ccc(cc1)Cn2ccnc2	1BN	1-benzyl-1h-imidazole
CCCCO	1BO	1-butanol
C[C@H](CBr)O	1BP	1-bromopropane-2-ol
CN1c2ccc(cc2-c3c(cn[nH]3)S1(=O)=O)c4ccc(cc4)C(=O)N5CCC(CC5)CCO	1BQ	[4-(2-hydroxyethyl)piperidin-1-yl][4-(5-methyl-4,4-dioxido-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazin-8-yl)phenyl]methanone
CC(C)(C)c1ccc(cc1)CNc2ccc3c(c2)-c4c(cnn4C)S(=O)(=O)N3C	1BR	n-(4-tert-butylbenzyl)-1,5-dimethyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazin-8-amine 4,4-dioxide
CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3ccccc3)C4=NC(=O)c5cnccc5N4)Cl)C	1BS	2-{(1s)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}pyrido[4,3-d]pyrimidin-4(1h)-one
Cc1cc(cc(c1Nc2nc3c(c(n2)Nc4ccc5c(c4)ncs5)nc[nH]3)C)/C=C/C#N	1BT	(2e)-3-(4-{[6-(1,3-benzothiazol-5-ylamino)-9h-purin-2-yl]amino}-3,5-dimethylphenyl)prop-2-enenitrile
Cc1cccc(c1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(cc3)Nc4c5cc(ccc5ncn4)N	1BU	1-{4-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1h-pyrazol-5-yl]urea
Cc1c(ccc2c1nc(cc2O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5CC/C=C/C/C=C/[C@@H](C(=O)N4C3)NC(=O)c6ccn(n6)C)C(=O)NS(=O)(=O)C7(CC7)C)OC(C)C)OC	1BV	(2r,6s,7e,10e,13ar,14ar,16as)-2-{[7-methoxy-8-methyl-2-(propan-2-yloxy)quinolin-4-yl]oxy}-n-[(1-methylcyclopropyl)sulfonyl]-6-{[(1-methyl-1h-pyrazol-3-yl)carbonyl]amino}-5,16-dioxo-1,2,3,6,9,12,13,13a,14,15,16,16a-dodecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5h)-carboxamide
CCCC(=O)N[C@H]1CN[C@@H]([C@H]([C@@H]1O)O)CO	1BW	n-[(3s,4r,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]butanamide
CC1=CC(=O)N(C(=C1)Cc2ccc(cc2)O)O	1BX	1-hydroxy-6-(4-hydroxybenzyl)-4-methylpyridin-2(1h)-one
c1ccnc(c1)NCC(P(=O)(O)O)P(=O)(O)O	1BY	[2-(pyridin-2-ylamino)ethane-1,1-diyl]bis(phosphonic acid)
CC1=CC(=O)N(C(=C1)Cc2ccccc2)O	1BZ	6-benzyl-1-hydroxy-4-methylpyridin-2(1h)-one
B1(c2c(cc(cc2F)CN(c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)S(=O)(=O)C)CO1)O	1C0	5-cyclopropyl-6-{[(7-fluoro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)methyl](methylsulfonyl)amino}-2-(4-fluorophenyl)-n-methyl-1-benzofuran-3-carboxamide
c1ccc2c(c1)C[C@@H]([C@H]2NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)CNC(=[NH2+])N	1C1	amino({[(1r,2r)-1-({[(4-chloro-3-fluorophenyl)amino](oxo)acetyl}amino)-2,3-dihydro-1h-inden-2-yl]methyl}amino)methanimi nium
CC(C)(C)OC(=O)N1Cc2cc(ccc2C[C@H]1C(=O)NC)NS(=O)(=O)O	1C2	3(s)-methylcarbamoyl-7-sulfoamino-3,4-dihydro-1h-isoquinoline-2-carboxylic acid tert-butyl ester
COc1cc(cc(c1OC)OC)CN2CCC[C@H]2C(=O)O	1C3	1-(3,4,5-trimethoxybenzyl)-l-proline
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)N[C@@H](CCC(=O)O)C(=O)O)O	1C4	(2s)-2-({(3s,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14,20-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaicosan-20-yl}amino)pentanedioic acid (non-preferred name)
CC(=O)N[C@@H](Cc1ccc(cc1)OP(=O)(O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](CCC2CCCCC2)C(=O)N	1C5	[[o-phosphono-n-acetyl-tyrosinyl]-glutamyl-3[cyclohexylmethyl]alaninyl]-amine
Cc1cnc(c(c1OC)C)CSc2[nH]c3cc(ccc3n2)OC	1C6	6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1h-benzimidazole
CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)n4ccnc4c5ccccc5)C	1C7	(7r)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-phenyl-1h-imidazol-1-yl)-7,8-dihydropteridin-6(5h)-one
CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)n4ccnc4c5cscn5)C	1C8	(7r)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-thiazol-4-yl)-1h-imidazol-1-yl]-7,8-dihydropteridin-6(5h)-one
COc1cc2c(cc1NC(=O)/C=C/CN3CCCCC3)c(ncn2)Nc4ccc(c(c4)Cl)F	1C9	(2e)-n-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-4-(piperidin-1-yl)but-2-enamide
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C	1CA	desoxycorticosterone
C1CCC(C1)N	1CB	cyclopentanamine
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)C(=O)O)COP(=O)(O)O)O	1CC	5-carboxy-2'-deoxycytidine monophosphate
C[C@@H]1C[C@H]2C[N@]1CCN3C(=O)c4cccc(c4N3)C5=Nc6c(cccc6O2)NC5=O	1CD	(13r,15s)-13-methyl-16-oxa-8,9,12,22,24-pentaazahexacyclo[15.6.2.16,9.1,12,15.0,2,7.0,21,25]heptacosa-1(24),2,4,6,17(25 ),18,20-heptaene-23,26-dione
C1CCc2c(c3c(s2)N=CN(C3=O)Cc4[nH]nnn4)C1	1CE	3-(1h-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3h)-one
C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OCCO)O)O)O	1CF	2-hydroxyethyl 6-deoxy-beta-l-galactopyranoside
c1ccc2c(c1)nc(o2)[C@H](Cc3ccc(cc3)NC(=O)C(=O)O)S(=O)(=O)Nc4ccc(cc4)F	1CG	[(4-{(2s)-2-(1,3-benzoxazol-2-yl)-2-[(4-fluorophenyl)sulfamoyl]ethyl}phenyl)amino](oxo)acetic acid
CC1(Cc2ccccc2C(=N1)N[C@@H](Cc3ccccc3)C(=O)O)C	1CH	n-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-l-phenylalanine
c1cc(ccc1n2ccnc2)Cl	1CI	1-(4-chlorophenyl)-1h-imidazole
CCO[C@H](c1cnn2c1cccc2)O	1CJ	(r)-ethoxy(pyrazolo[1,5-a]pyridin-3-yl)methanol
Cc1cc(n[nH]1)NC(=O)c2ccc(cc2)Br	1CK	4-bromo-n-(5-methyl-1h-pyrazol-3-yl)benzamide
[S]12[Fe][S]3[Fe]1[S]([Fe]2)[Fe]3S45[Fe]6[S]7[Fe]4[S]8[Fe]7[S]6[Fe]58	1CL	fe(8)-s(7) cluster, oxidized
CC[C@H](c1ccccc1)C(=O)Nc2ccncc2	1CM	(2r)-2-phenyl-n-pyridin-4-ylbutanamide
c1c(cc(c(c1F)N)Cl)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N	1CN	5-{[(4-amino-3-chloro-5-fluorophenyl)sulfonyl]amino}-1,3,4-thiadiazole-2-sulfonamide
C[C@@](CCS)(CC(=O)O)O	1CO	(3s)-3-hydroxy-3-methyl-5-sulfanylpentanoic acid
Cc1c2[nH]c(c1CCC(=O)O)Cc3c(c(c([nH]3)Cc4c(c(c([nH]4)Cc5c(c(c([nH]5)C2)CCC(=O)O)C)CCC(=O)O)C)CCC(=O)O)C	1CP	coproporphyrinogen i
c1cc(ccc1c2c([nH]nc2Nc3ccc(cc3)O)c4ccc(cc4)O)O	1CQ	4,4'-{3-[(4-hydroxyphenyl)amino]-1h-pyrazole-4,5-diyl}diphenol
COc1cc2c3cc1OCCOc4cc5c(cc4OCc6cn(nn6)CCc7ccc(cc7)S(=O)(=O)N)Cc8cc9c(cc8Cc1cc(c(cc1C5)OCc1cn(nn1)CCC(=O)O)OCCOc1cc(c(cc1OC)Cc1cc(c(cc1C3)OC)OCCO9)C2)OCc1cn(nn1)CCC(=O)O	1CR	popo-2-[4-(2-(4-(methoxy)-1h-1,2,3-triazol-1-yl)ethyl)benzenesulfonamide]-7,12-bis-[3-(4-(methoxy)-1h-1,2,3-triazol-1-yl)propanoic acid]-cryptophane-a
Cc1nc(nc(n1)OC)NC(=O)NS(=O)(=O)c2ccccc2Cl	1CS	1-(2-chlorophenylsulfonyl)-3-(4-methoxy-6-methyl-l,3,5-triazin-2-yl)urea
c1ccc(c(c1)C(F)(F)F)NC(=O)COc2ccccc2P(=O)(O)O	1CT	[2-(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethoxy)phenyl]phosphonic acid
[OH2][Cu+2]	1CU	copper ion, 1 water coordinated
C[C@@](C[C@H](S)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)(CC(=O)O)O	1CV	(3r,5r,9r,19r,21s)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8,21-trimethyl-10,14-dioxo-19-sulfanyl-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide
c1cc(c(c(c1)N)O)C(=O)O	1CW	3-amino-2-hydroxybenzoic acid
c1cc(c(cc1I)F)N=C2C(C(=CC=C2C(=O)NOCCO)F)F	1CX	(5s)-4,5-difluoro-6-[(2-fluoro-4-iodophenyl)imino]-n-(2-hydroxyethoxy)cyclohexa-1,3-diene-1-carboxamide
CC1(N=C(N=C(N1c2ccc(cc2)Cl)N)N)C	1CY	1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
C[C@](CC(=O)O)(CC(=S)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O	1CZ	 (3s,5s,9r,21s)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8,21-trimethyl-10,14-dioxo-19-thioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide
Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(\CNc2ccccc2O)/C(=O)O)O	1D0	(2e)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-3-[(2-hydroxyphenyl)amino]propanoic acid
CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)c4ccc[nH]4)C	1D1	(7r)-8-cyclopentyl-7-ethyl-5-methyl-2-(1h-pyrrol-2-yl)-7,8-dihydropteridin-6(5h)-one
C[C@@H]1C[C@@H]([C@H]([C@@H](O1)OC2CCCCCCCCCCC2)O)N(C)C	1D2	cyclododecyl 3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranoside
C[C@@H]1C[C@@H]([C@H]([C@@H](O1)OC2CCCCCCCCCCCC2)O)N(C)C	1D4	cyclotridecyl 3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranoside
c1cc(ccc1CC(=O)O)N2[C@H](C(=C(C2=O)O)C(=O)c3ccc(s3)Cl)c4cc(cs4)Br	1D5	(4-{(2r)-2-(4-bromothiophen-2-yl)-3-[(5-chlorothiophen-2-yl)carbonyl]-4-hydroxy-5-oxo-2,5-dihydro-1h-pyrrol-1-yl}phenyl)acetic acid
Cc1cccc(c1)C(=O)C2=C(C(=O)N([C@H]2c3cc4c(c(c3)Cl)OCO4)c5ccc(cc5)CC(=O)O)O	1D6	{4-[(2s)-2-(7-chloro-1,3-benzodioxol-5-yl)-4-hydroxy-3-(3-methylbenzoyl)-5-oxo-2,5-dihydro-1h-pyrrol-1-yl]phenyl}acetic acid
c1cc(cc(c1)C(F)(F)F)C(=O)C2=C(C(=O)N([C@H]2c3cc4c(c(c3)Cl)OCO4)c5cccc(c5)C(=O)O)O	1D8	3-{(2s)-2-(7-chloro-1,3-benzodioxol-5-yl)-4-hydroxy-5-oxo-3-[3-(trifluoromethyl)benzoyl]-2,5-dihydro-1h-pyrrol-1-yl}benzoic acid
c1cc(cc(c1)C(F)(F)F)[C@H]2C(=C(C(=O)N2c3cccc(c3)C(=O)O)O)C(=O)c4cccc(c4)C(F)(F)F	1D9	3-{(5s)-3-hydroxy-2-oxo-4-[3-(trifluoromethyl)benzoyl]-5-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1h-pyrrol-1-yl}benzoic acid
c1cnc2c(c1N)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	1DA	1-deaza-adenosine
CCCCCCCCCCS(=O)(=O)O	1DB	1-decane-sulfonic-acid
C[C@@H](c1ccncc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2	1DC	3-(4-oxo-3,4-dihydroquinazolin-2-yl)-n-[(1s)-1-(pyridin-4-yl)ethyl]propanamide
Cc1nc2ccccc2n1S(=O)(=O)c3ccc(cc3)F	1DD	1-[(4-fluorophenyl)sulfonyl]-2-methyl-1h-benzimidazole
c1cc(cc(c1)N2[C@H](C(=C(C2=O)O)C(=O)c3ccc(s3)Cl)c4cc5c(c(c4)Cl)OCO5)C(=O)O	1DE	3-{(2s)-2-(7-chloro-1,3-benzodioxol-5-yl)-3-[(5-chlorothiophen-2-yl)carbonyl]-4-hydroxy-5-oxo-2,5-dihydro-1h-pyrrol-1-yl}benzoic acid
COc1cc(cc(c1O)[N+](=O)[O-])C(=O)O	1DF	4-hydroxy-3-methoxy-5-nitrobenzoic acid
c1cnccc1C(=O)[C@@H]2C=CN(C=C2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)OP(=O)(O)O)O)O)O	1DG	(4r)-isonicotinic-acetyl-nicotinamide-adenine dinucleotide
c1c(sc(n1)N)Cl	1DH	5-chloro-1,3-thiazol-2-amine
c1ccc2c(c1)CN(C2)C(=O)[C@@H](Cc3ccc(cc3Cl)Cl)N	1DI	(2r)-2-amino-3-(2,4-dichlorophenyl)-1-(1,3-dihydro-2h-isoindol-2-yl)propan-1-one
C#C[C@H](c1ccccc1)O	1DJ	(1r)-1-phenylprop-2-yn-1-ol
Cc1cc(c(cc1C)C2C(=C(C(=O)N2c3ccc(cc3)CC(=O)O)O)C(=O)c4cccs4)C	1DK	{4-[(5r)-3-hydroxy-2-oxo-4-(thiophen-2-ylcarbonyl)-5-(2,4,5-trimethylphenyl)-2,5-dihydro-1h-pyrrol-1-yl]phenyl}acetic acid
Cc1ccc(cc1C(=O)O)N2[C@H](C(=C(C2=O)O)C(=O)c3ccccc3)c4cc(cs4)Br	1DL	5-[(2r)-3-benzoyl-2-(4-bromothiophen-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1h-pyrrol-1-yl]-2-methylbenzoic acid
c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NC(CN3CCOCC3)CN4CCOCC4	1DM	n-(2-morpholin-4-yl-1-morpholin-4-ylmethyl-ethyl)-3-nitro-5-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-benzamide
COc1cc2c(cc1OC)n(c(n2)c3nccs3)c4ccc5c(c4)nc(nc5N)N	1DN	7-[5,6-dimethoxy-2-(1,3-thiazol-2-yl)-1h-benzimidazol-1-yl]quinazoline-2,4-diamine
CCCCCCCCCCCCO	1DO	1-dodecanol
c1cnc2c(c1N)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	1DP	n1-deaza-adenosine-5'-monophosphate
c1c([nH]cn1)C(F)(F)F	1DQ	5-(trifluoromethyl)-1h-imidazole
c1ccc2c(c1)c3ccc4c(c[nH]c4c3[nH]2)C=O	1DR	1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde
CCCCCCCCCC(=O)OC[C@@]1([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]2[C@@H]([C@@H]([C@@H]([C@H](O2)CO)O)O)O	1DS	1-o-decanoyl-beta-d-tagatofuranosyl beta-d-allopyranoside
C[C@@H](C1CC1)NC(=O)c2c[nH]c3c2nc(cn3)Oc4ccccc4	1DT	n-[(1s)-1-cyclopropylethyl]-2-phenoxy-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide
c1cnn(c1)CCO	1DU	2-(1h-pyrazol-1-yl)ethanol
Cc1cc(n[nH]1)C(F)(F)F	1DV	5-methyl-3-(trifluoromethyl)-1h-pyrazole
c1cc(c(cc1O)C=O)Br	1DW	2-bromo-5-hydroxybenzaldehyde
c1cc(ccc1C[N@@](CCCCC(=O)O)CCc2cc(ccc2OCc3ccc(cc3)c4ccc(cc4)C(F)(F)F)F)C(=O)O	1DX	4-({(4-carboxybutyl)[2-(5-fluoro-2-{[4'-(trifluoromethyl)biphenyl-4-yl]methoxy}phenyl)ethyl]amino}methyl)benzoic acid
COc1ccccc1NC(=O)c2ccc(cc2)NC(=O)CCC3=Nc4ccccc4C(=O)N3	1DY	n-(2-methoxyphenyl)-4-{[3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoyl]amino}benzamide
Cc1cccc(c1)n2c(cc(n2)C(=O)O)c3ccccc3	1DZ	1-(3-methylphenyl)-5-phenyl-1h-pyrazole-3-carboxylic acid
CCCOc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N	1E0	4-(carbamoylamino)-1-(7-propoxynaphthalen-1-yl)-1h-pyrazole-3-carboxamide
C1CC1C[C@@H]([C@H](C(=O)N)O)N	1E1	(2r,3s)-3-amino-4-cyclopropyl-2-hydroxybutanamide
CC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CS(=O)(=O)O)O)O)O)O	1E2	(2s)-3-(acetyloxy)-2-hydroxypropyl 6-deoxy-6-sulfo-beta-d-glucopyranoside
C(CCC[C@@H](C(=O)O)N)CCCN	1E3	(2s)-2,9-diaminononanoic acid
COc1cc(c(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl)OC[C@H]([C@H]([C@@H]([C@@H](COc3cc(cc(c3)F)c4ccc(cn4)C(=O)O)O)O)O)O	1E4	1-o-[3-(5-carboxypyridin-2-yl)-5-fluorophenyl]-6-o-[4-({[(5-carboxypyridin-2-yl)sulfanyl]acetyl}amino)-2-chloro-5-methoxyphenyl]-d-mannitol
c1cc(ncc1C(=O)O)c2cc(cc(c2)F)OCC(=O)O	1E5	6-[3-(carboxymethoxy)-5-fluorophenyl]pyridine-3-carboxylic acid
COc1cc(c(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl)OC[C@H](CO)O	1E6	6-({2-[(5-chloro-4-{[(2s)-2,3-dihydroxypropyl]oxy}-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid
COc1ccc(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl	1E7	6-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid
C=CC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4ccc(cc4)Oc5ccccc5)c(ncn3)N	1E8	1-{(3r)-3-[4-amino-3-(4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one
CN(C)CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC3=NS(=O)(=O)c4c3ccc(c4)N5CCN(CC5)Cc6ccccc6c7ccc(cc7)Cl	1E9	n-(6-{4-[(4'-chlorobiphenyl-2-yl)methyl]piperazin-1-yl}-1,1-dioxido-1,2-benzothiazol-3-yl)-4-{[(2r)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzenesulfonamide
Cc1cc(c(cc1c2cc(c3cc(ccc3n2)F)C(=O)O)C(C)C)Oc4ccccc4	1EA	6-fluoro-2-[2-methyl-4-phenoxy-5-(propan-2-yl)phenyl]quinoline-4-carboxylic acid
c1cc(ccc1NC(=O)C2CC2)[N+](=O)[O-]	1EB	n-(4-nitrophenyl)cyclopropanecarboxamide
[B-](CCCC[C@@](CCCO)(C(=O)O)N)(O)(O)O	1EC	[(5r)-5-amino-5-carboxy-8-hydroxyoctyl](trihydroxy)borate(1-)
c1ccc(cc1)C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O	1ED	(3s,6s)-3-benzyl-6-(4-hydroxybenzyl)piperazine-2,5-dione
[B-](CCCC[C@@](CCN1CCC(CC1)O)(C(=O)O)N)(O)(O)O	1EE	[(5r)-5-amino-5-carboxy-7-(4-hydroxypiperidin-1-yl)heptyl](trihydroxy)borate(1-)
Cc1ccc(cc1)C(=O)NCc2cn(nn2)[C@H](Cc3ccc4ccccc4c3)CC(=O)NO	1EF	n-({1-[(2r)-4-(hydroxyamino)-1-(naphthalen-2-yl)-4-oxobutan-2-yl]-1h-1,2,3-triazol-4-yl}methyl)-4-methylbenzamide
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCC(=O)O)N)O)O)NC(=NC2=O)N	1EG	5'-o-(l-alpha-glutamylsulfamoyl)guanosine
c1cc(c2cc(sc2c1)C(=O)N)c3ccc(s3)C(=O)NCc4ccnc(c4)Cl	1EH	4-(5-{[(2-chloropyridin-4-yl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCC(=O)O)N)O)O)N=CNC2=O	1EI	5'-o-(l-alpha-glutamylsulfamoyl)inosine
c1cc(ccc1c2nnc(n2c3ccc4c(c3)sc(c4Cl)C(=O)O)S)F	1EJ	3-chloro-6-[3-(4-fluorophenyl)-5-sulfanyl-4h-1,2,4-triazol-4-yl]-1-benzothiophene-2-carboxylic acid
c1ccc(cc1)n2c(nnc2SCC(=O)O)c3c(c4ccccc4s3)Cl	1EK	{[5-(3-chloro-1-benzothiophen-2-yl)-4-phenyl-4h-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Cc1c2c(c(c3c1[nH]c4c3cc(cc4)O)C)C(=O)N=CC2	1EL	9-hydroxy-5,11-dimethyl-4,6-dihydro-1h-pyrido[4,3-b]carbazol-1-one
CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCC	1EM	(1s)-2-hydroxy-1-[(nonanoyloxy)methyl]ethyl myristate
c1ccc(c(c1)Oc2cccn3c2nnc3C4(CC4)c5ccc(cc5)Cl)F	1EN	3-[1-(4-chlorophenyl)cyclopropyl]-8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridine
c1ccc(c(c1)Oc2cccn3c2nnc3C45CCC(C4)(CC5)O)F	1EO	(1s,4s)-4-[8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridin-3-yl]bicyclo[2.2.1]heptan-1-ol
CC(C)[C@H]1C(=O)N(C(=O)N1)Cc2ccc(cc2)C(C)(C)C	1EP	(5s)-3-(4-tert-butylbenzyl)-5-(propan-2-yl)imidazolidine-2,4-dione
c1cc(c2nnc(n2c1)C3(CC3)c4ccc(cc4)Cl)C5CC5	1EQ	3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclopropyl[1,2,4]triazolo[4,3-a]pyridine
CC(C)(C)c1cccc(c1)C2=CC=CNC2=O	1ER	3-(3-tert-butylphenyl)pyridin-2(1h)-one
Cn1cc(c2c1cccc2)CCN	1ES	2-(1-methyl-1h-indol-3-yl)ethanamine
Cc1cc(nc(c1)N)CCc2cc(cc(c2)CN)CCc3cc(cc(n3)N)C	1ET	6,6'-{[5-(aminomethyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine)
CCNC(=O)Nc1[nH]c2cc(cc(c2n1)C(=O)C)c3cccnc3	1EU	1-(4-acetyl-6-pyridin-3-yl-1h-benzimidazol-2-yl)-3-ethylurea
Cc1cc(nc(c1)N)CCc2cc(cc(c2)C#N)CCc3cc(cc(n3)N)C	1EV	3,5-bis[2-(6-amino-4-methylpyridin-2-yl)ethyl]benzonitrile
Cc1cc(nc(c1)N)CCc2ccc(c(c2)CCc3cc(cc(n3)N)C)CCCN	1EW	6,6'-{[4-(3-aminopropyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine)
CC/C=C\C=C/CCCCCCCCCCO	1EX	(11z,13z)-hexadeca-11,13-dien-1-ol
CC/C=C\C=C/CCCCCCCCCC=O	1EY	(11z,13z)-hexadeca-11,13-dienal
c1cc(ccc1NC(=O)CC23CC4CC(C2)CC(C4)C3)S(=O)(=O)N	1EZ	n-(4-sulfamoylphenyl)-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide
CCOc1cc(ccc1C2=N[C@@]([C@@](N2C(=O)N3CCN(CC3)CCCS(=O)(=O)C)(C)c4ccc(cc4)Cl)(C)c5ccc(cc5)Cl)C(C)(C)C	1F0	[(4s,5r)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-4,5-dihydro-1h-imidazol-1-yl]{4-[3-(methylsulfonyl)propyl]piperazin-1-yl}methanone
c1cc(cc2c1cc[nH]2)C(=O)O	1F1	1h-indole-6-carboxylic acid
CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)N3CCC[C@@H]3c4cccnc4)C)O[C@H]5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O)(C)OC)C)C)NC(=O)O2)C	1F2	(3as,4r,7r,8s,9s,10r,11r,13r,15r,15ar)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranosyl]oxy}tetradecahydro-2h-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl (2r)-2-(pyridin-3-yl)pyrrolidine-1-carboxylate
CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)N3C=CC[C@@H]3c4ccc(cc4)NC(=O)C)C)O[C@H]5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O)(C)OC)C)C)NC(=O)O2)C	1F3	(3as,4r,7r,8s,9s,10r,11r,13r,15r,15ar)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranosyl]oxy}tetradecahydro-2h-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl (2r)-2-[4-(acetylamino)phenyl]-2,3-dihydro-1h-pyrrole-1-carboxylate
CC[C@@H]1[C@@]2([C@@H]([C@@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)N3CC(C[C@@H]3c4cccnc4)(C)C)C)O[C@H]5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O)(C)OC)C)C)NC(=O)O2)C	1F4	(3as,4r,7r,8s,9s,10r,11r,13r,15s,15ar)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranosyl]oxy}tetradecahydro-2h-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl (2r)-4,4-dimethyl-2-(pyridin-3-yl)pyrrolidine-1-carboxylate
C[C@@H]1[C@@H]\2CC[C@@](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@@H]5[C@]6([C@H](O4)COC)O[C@H](O5)[C@](O6)(C)[C@@H]7CO7)O)C(C)C)C)(COC)O	1F5	(1r,3as,4r,5r,6r,9ar,10e)-6-({(1s,2r,4s,5r,6r,8s,9s)-5-hydroxy-2-(methoxymethyl)-9-methyl-9-[(2s)-oxiran-2-yl]-3,7,10,1 1-tetraoxatricyclo[6.2.1.0~1,6~]undec-4-yl}oxy)-1-(methoxymethyl)-4,9a-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,6,8,9,9a-de cahydrodicyclopenta[a,d][8]annulene-1,5-diol
CN1c2ccc(cc2N(C(=O)/C(=C\NCCOC)/C1=O)c3ccccc3)C(F)(F)F	1F6	(3z)-3-{[(2-methoxyethyl)amino]methylidene}-1-methyl-5-phenyl-7-(trifluoromethyl)-1h-1,5-benzodiazepine-2,4(3h,5h)-dione
CCCCCCCCCCC[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O)O	1F7	s-[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (3r)-3-hydroxytetradecanethioate
Cc1c(c2ccccc2o1)C(=O)NCCS	1F8	2-methyl-n-(2-sulfanylethyl)-1-benzofuran-3-carboxamide
c1cc(ccc1C#Cc2cc(cc(n2)C#CCN3CCOCC3)Sc4ccc(c5c4CCC5)OCC(=O)O)C(F)(F)F	1FA	[(7-{[2-(3-morpholin-4-ylprop-1-yn-1-yl)-6-{[4-(trifluoromethyl)phenyl]ethynyl}pyridin-4-yl]thio}-2,3-dihydro-1h-inden- 4-yl)oxy]acetic acid
CC(C)(C)n1c2c(c(ncn2)N)c(n1)Oc3cccc(c3)Cl	1FB	1-tert-butyl-3-(3-chlorophenoxy)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
C1=C(C(=NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F)N)C(=O)O	1FC	4-amino-1-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-2-oxo-1,2-dihydropyrimidine-5-carboxylic acid
c1cc(ccc1CN)OC(F)(F)F	1FD	1-[4-(trifluoromethoxy)phenyl]methanamine
c1cc2c(cc1NC(=O)CN)NC(=O)N2	1FE	n-(2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)glycinamide
Cn1c(c(cn1)C(=O)O)c2ccccc2	1FF	1-methyl-5-phenyl-1h-pyrazole-4-carboxylic acid
CN(CC1=NC(=O)c2ccccc2N1)CC(=O)N3CCCc4c3cccc4	1FG	2-({[2-(3,4-dihydroquinolin-1(2h)-yl)-2-oxoethyl](methyl)amino}methyl)quinazolin-4(1h)-one
Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe+2]36[N]7=C(C(C(C7=C2)C=C)C)C(=C8N6C(=C5)C(=C8C=C)C)c9ccccc9)C)CCC(=O)O	1FH	12-phenylheme
c1ccc(c(c1)CNc2c(nccn2)C(=O)N)C(F)(F)F	1FI	3-[[2-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxamide
Cc1cccc(c1C)NC(=O)C2=C3NC(=O)c4c(ccs4)N3C(=S)S2	1FJ	~{n}-(2,3-dimethylphenyl)-7-oxidanylidene-12-sulfanylidene-5,11-dithia-1,8-diazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),3,9-triene-10-carboxamide
CC(=O)c1cc(c2n1ccc(c2)N)c3ncccn3	1FK	1-[7-amino-1-(pyrimidin-2-yl)indolizin-3-yl]ethanone
c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)O	1FL	5-(2,4-difluorophenyl)-2-hydroxy-benzoic acid
C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C/c2cc(cc(c2C(=O)O1)O)OC)O)O	1FM	(3s,5z,8s,9s,11e)-8,9,16-trihydroxy-14-methoxy-3-methyl-3,4,9,10-tetrahydro-1h-2-benzoxacyclotetradecine-1,7(8h)-dione
c1cc(ccc1N2C=CC=C(C2=O)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc[nH]5)F	1FN	1-(4-fluorophenyl)-n-[3-fluoro-4-(1h-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide
c1cc(cc(c1)F)C(=O)c2cc([nH]c2)C=CC(=O)C=C(C(=O)O)O	1FO	6-[4-(3-fluorobenzoyl)-1h-pyrrol-2-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid
C1CN(CCN1)C=O	1FP	piperazine-1-carbaldehyde
c1cc(ccc1C(=O)c2cc([nH]c2)/C=C/C(=O)/C=C(/C(=O)O)\O)F	1FQ	(2z,5e)-6-[4-(4-fluorobenzoyl)-1h-pyrrol-2-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid
C[C@@H](c1ccccc1)Nc2cc3c(cn2)onc3c4cc(cc(c4)Cl)CCCO	1FR	3-[3-chloro-5-(5-{[(1s)-1-phenylethyl]amino}isoxazolo[5,4-c]pyridin-3-yl)phenyl]propan-1-ol
c1cc(c(cc1[N+](=O)[O-])C#N)Oc2ccc(cc2Oc3ccc(cc3C#N)[N+](=O)[O-])Cl	1FS	2,2'-[(4-chlorobenzene-1,2-diyl)bis(oxy)]bis(5-nitrobenzonitrile)
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)S[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)COP(=O)(O)O)O)O)O)O	1FT	4-s-(6-o-phosphono-alpha-l-idopyranosyl)-4-thio-beta-d-glucopyranose
c1cc(cc(c1)Nc2ncc(c(n2)NCCCNC(=O)C3CCC3)C4CC4)CN5CCOCC5	1FV	n-{3-[(5-cyclopropyl-2-{[3-(morpholin-4-ylmethyl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide
c1cc2c(cc1F)C(=O)N(C=N2)[C@@H](CC3CCCCC3)C(=O)Nc4nccs4	1FW	(2s)-3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3(4h)-yl)-n-(1,3-thiazol-2-yl)propanamide
c1cc2c(cc1F)C(=O)N(C(=O)N2)[C@@H](CC3CCCCC3)C(=O)Nc4nccs4	1FX	(2s)-3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1,4-dihydroquinazolin-3(2h)-yl)-n-(1,3-thiazol-2-yl)propanamide
CS(=O)(=O)N1CCN(C(=O)C1)[C@@H](CC2CCCCC2)C(=O)Nc3nccs3	1FY	(2s)-3-cyclohexyl-2-[4-(methylsulfonyl)-2-oxopiperazin-1-yl]-n-(1,3-thiazol-2-yl)propanamide
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O	1FZ	5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine
c1ccc(cc1)Oc2ccc(cc2)c3c4c(nccn4c(n3)C5CC(C5)O)N	1G0	cis-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutanol
CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)[C@H](Cc2ccccc2)N=[N]=N	1G1	n3phe-leu-leu-phe(4-nh2ch2)-methyl vinyl sulfone, bound form
c1ccc(cc1)C[C@@H](C(=O)O)N=[N+]=[N-]	1G2	(2s)-2-azido-3-phenylpropanoic acid
CS(=O)(=O)CC[C@H](Cc1ccc(cc1)CN)N	1G3	(2s)-1-[4-(aminomethyl)phenyl]-4-(methylsulfonyl)butan-2-amine
c1cc(ccc1C[C@H]2CN[C@H](C(=O)N2)Cc3ccc(cc3)O)O	1G4	(3s,6s)-3,6-bis(4-hydroxybenzyl)piperazin-2-one
Cc1c(cccc1O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H](CCS(=O)(=O)C)Cc2ccc(cc2)CN	1G5	hmb-val-ser-phe(4-nh2ch2)-methyl vinyl sulfone, bound form
CC(C)C[C@@H](C(=O)N[C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)[C@@H](Cc2ccc(cc2)CN)NC(=O)[C@H](Cc3ccccc3)N=[N]=N	1G6	n3phe-phe(4-nh2ch2)-leu-phe(4-nh2ch2)-methyl vinyl sulfone, bound form
c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(c(c3)O)O)O	1G7	(3s,6s)-3-(3,4-dihydroxybenzyl)-6-(4-hydroxybenzyl)piperazine-2,5-dione
c1cc(ccc1C[C@H](C(=O)O)N)CN	1G8	4-(aminomethyl)-d-phenylalanine
C[C@H]1C(=O)N[C@H](C(=O)N1)Cc2ccc(cc2)O	1G9	(3s,6s)-3-(4-hydroxybenzyl)-6-methylpiperazine-2,5-dione
CC1=CCc2ccc(cc2)NC/C(=C/CC1)/C	1GA	geraniline
c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)N[C@H](C(=O)N3)Cc4ccc(cc4)O	1GB	(3s,6s)-3-(4-hydroxybenzyl)-6-(1h-indol-3-ylmethyl)piperazine-2,5-dione
c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N	1GC	2'-deoxy-5'-o-[(r)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]guanosine
c1ccc(cc1)CC(=O)NCc2ccc(cc2)S(=O)(=O)N	1GD	2-phenyl-n-(4-sulfamoylbenzyl)acetamide
[H]/N=C(\c1ccc2c(c1)[C@H]3c4ccccc4C[C@H]3[C@@H](N2)c5cc(c(cc5c6ccc(cc6)C(=O)O)O)OC)/N	1GE	2'-[(6r,6ar,11br)-2-carbamimidoyl-6,6a,7,11b-tetrahydro-5h-indeno[2,1-c]quinolin-6-yl]-5'-hydroxy-4'-methoxybiphenyl-4-carboxylic acid
CC(=CCc1c2c(cc(c1OC)OCc3ccc(cc3)F)Oc4cc5c(c(c4C2=O)OC/C=C\C(=O)O)C=CC(O5)(C)C)C	1GF	(~{z})-4-[9-[(4-fluorophenyl)methoxy]-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid
[H]/N=C(/c1ccc(cc1)CNC(=O)C2CC(C3=C(N=C(C(=O)N23)NC4CCC4)Cl)(CC)CC)\N	1GG	(6s)-n-(4-carbamimidoylbenzyl)-1-chloro-3-(cyclobutylamino)-8,8-diethyl-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide
Cc1c(c(on1)C)c2cc3c(cc2OC)c4c(cn3)NC(=O)N4[C@H](C)c5ccccn5	1GH	7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1r)-1-(pyridin-2-yl)ethyl]-1h,2h,3h-imidazo[4,5-c]quinolin-2-one
C[C@H](C1CC1)Nc2c3c(nc(n3Cc4ccc(cc4)Cl)c5ccc6c(c5)ccs6)nc(n2)C(=O)O	1GI	8-(1-benzothiophen-5-yl)-7-[(4-chlorophenyl)methyl]-6-{[(1r)-1-cyclopropylethyl]amino}-7h-purine-2-carboxylic acid
c1ccc(cc1)Cn2c(c3cccc(c3n2)C(F)(F)F)c4ccc(cc4O)O	1GJ	4-[2-benzyl-7-(trifluoromethyl)-2h-indazol-3-yl]benzene-1,3-diol
Cc1ccccc1C(=O)c2cc([nH]c2)C(=O)NCc3ccco3	1GK	n-(furan-2-ylmethyl)-4-[(2-methylphenyl)carbonyl]-1h-pyrrole-2-carboxamide
C[C@@H]1[C@@H]([C@@H](C[C@H](O1)O)O)OC	1GL	2,6-dideoxy-4-o-methyl-alpha-d-galactopyranose
CCn1c(c2cccc(c2n1)C(F)(F)F)c3ccc(cc3O)O	1GM	4-[2-ethyl-7-(trifluoromethyl)-2h-indazol-3-yl]benzene-1,3-diol
C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)O	1GN	2-amino-2-deoxy-beta-d-galactopyranose
c1cc(sc1)CC(=O)Nc2nnc(s2)S(=O)(=O)N	1GO	n-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
C([C@@H](COP(=O)(O)O)O)O	1GP	sn-glycerol-1-phosphate
CCCCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O	1GQ	4-[1-butyl-7-(trifluoromethyl)-1h-indazol-3-yl]benzene-1,3-diol
CC(C)Cn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O	1GR	4-[1-(2-methylpropyl)-7-(trifluoromethyl)-1h-indazol-3-yl]benzene-1,3-diol
CC(C)Cn1c(c2cccc(c2n1)C(F)(F)F)c3ccc(cc3O)O	1GS	4-[2-(2-methylpropyl)-7-(trifluoromethyl)-2h-indazol-3-yl]benzene-1,3-diol
C=CCCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O	1GT	4-[1-(but-3-en-1-yl)-7-(trifluoromethyl)-1h-indazol-3-yl]benzene-1,3-diol
C=CCCn1c(c2cccc(c2n1)C(F)(F)F)c3ccc(cc3O)O	1GU	4-[2-(but-3-en-1-yl)-7-(trifluoromethyl)-2h-indazol-3-yl]benzene-1,3-diol
Cc1cc(ccc1c2ccc(s2)c3ccc(cc3C)O)O	1GV	4,4'-thiene-2,5-diylbis(3-methylphenol)
c1cc(sc1C=O)C2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O	1GW	5-(2-formylthien-5-yl)-uridine-5'-diphosphate-alpha-d-galactose
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/SC)O	1GZ	methylthioacryloyl-coa
CCOC(=O)C[C@@H](CC#N)O	1H1	ethyl (3r)-4-cyano-3-hydroxybutanoate
Cc1c(c(on1)C)c2cc(cc(c2)O)[C@@H](c3ccccc3)O	1H2	3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(r)-hydroxy(phenyl)methyl]phenol
Cc1c(c(on1)C)c2cc(cc(c2)O)[C@H](c3ccccc3)O	1H3	3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(s)-hydroxy(phenyl)methyl]phenol
c1cc(cc(c1)N2CCCC2=O)Nc3ncc(c(n3)NCCCNC(=O)C4CCC4)C5CC5	1H4	n-{3-[(5-cyclopropyl-2-{[3-(2-oxopyrrolidin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide
c1cc(c(cc1NC(=O)c2ccc(cn2)C#N)[C@@]3([C@H](COC(=N3)N)F)CF)F	1H5	n-{3-[(4s,5r)-2-amino-5-fluoro-4-(fluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
C[C@]1([C@@H](COC(=N1)N)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N	1H6	n-{3-[(4r,5s)-2-amino-5-fluoro-4-methyl-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
C[C@]1([C@H](COC(=N1)N)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N	1H7	n-{3-[(4r,5r)-2-amino-5-fluoro-4-methyl-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
C[C@]1(CCOC(=N1)N)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N	1H8	n-{3-[(4s)-2-amino-4-methyl-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
c1cc(cc(c1)Br)COc2ccc3c(c2)-c4ccsc4NC3=O	1H9	8-[(3-bromophenyl)methoxy]-4~{h}-thieno[2,3-c]isoquinolin-5-one
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4O)O	1HA	1-hydroxy-2-naphthoyl-coa
CN(C)C(=O)CC[C@@H](CO)N	1HB	(4s)-4-amino-5-hydroxy-n,n-dimethylpentanamide
C=CC(=O)N	1HC	prop-2-enamide
CC(=O)NC[C@@H](CO)N	1HD	n-[(2s)-2-amino-3-hydroxypropyl]acetamide
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCSC)O	1HE	3-methylmercaptopropionate-coa (mmpa-coa)
c1cc(oc1)/C=C\2/C(=O)N/C(=N/N=C/3\c4cc(ccc4NC3=O)S(=O)(=O)O)/S2	1HF	(3e)-3-{(2z)-[(5z)-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene}-2-oxo-2,3-dihydro-1h-indole-5-sulfonic acid
C[C@]1([C@H]([C@H](OC(=N1)N)C(F)(F)F)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N	1HG	n-{3-[(4r,5r,6s)-2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
C[C@]1([C@H]([C@@H](OC(=N1)N)C(F)(F)F)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N	1HH	n-{3-[(4r,5r,6r)-2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
c1ccc2c(c1)nc(o2)[C@H]3CCCNC3	1HI	2-[(3s)-piperidin-3-yl]-1,3-benzoxazole
C[C@]1(C[C@@H](OC(=N1)N)C(F)(F)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N	1HJ	n-{3-[(4s,6r)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
COc1cc(ccc1O)CCc2c3c(n[nH]2)-c4ccccc4C3	1HK	4-[2-(2,4-dihydroindeno[1,2-c]pyrazol-3-yl)ethyl]-2-methoxyphenol
C[C@]1(C[C@H](OC(=N1)N)C(F)(F)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N	1HL	n-{3-[(4s,6s)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
c1cc(c(cc1NC(=O)c2ccc(cn2)C#N)[C@@]3(C[C@H](OC(=N3)N)C(F)(F)F)CF)F	1HM	n-{3-[(4s,6s)-2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
c1ccc2c(c1)ccc(c2O)C(=O)O	1HN	1-hydroxynaphthalene-2-carboxylic acid
c1cc(c(cc1NC(=O)c2ccc(cn2)C#N)[C@@]3(C(COC(=N3)N)(F)F)CF)F	1HO	n-{3-[(4s)-2-amino-5,5-difluoro-4-(fluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
Cn1c2cc(cnc2nc1N)c3ccc(cc3)O	1HP	4-(2-amino-1-methyl-1h-imidazo[4,5-b]pyridin-6-yl)phenol
c1cc(c(cc1NC(=O)c2ccc(cn2)C#N)[C@@]3(CCOC(=N3)N)C(F)F)F	1HQ	n-{3-[(4s)-2-amino-4-(difluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
c1cc(c(cc1C(=O)[C@H]2C[C@@H]2C(=O)O)Cl)Cl	1HR	(1s,2s)-2-(3,4-dichlorobenzoyl)cyclopropanecarboxylic acid
C[C@@H](CSCCS(=O)(=O)O)O	1HS	2-{[(2s)-2-hydroxypropyl]sulfanyl}ethanesulfonic acid
CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)C(=CC)C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)OC(=O)CCC	1HT	(3s,3ar,4s,6s,6ar,7s,8s,9bs)-6-(acetyloxy)-3a,4-bis(butanoyloxy)-3-hydroxy-3,6,9-trimethyl-8-{[(2e)-2-methylbut-2-enoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-7-yl octanoate
CNCCc1c[nH]c2c1cccc2	1HU	2-(1h-indol-3-yl)-n-methylethanamine
CNC(=O)c1ccc(cc1)n2c3ccccc3c(n2)c4ccc(cc4)C(=O)NCCCN	1HV	4-(3-{4-[(3-aminopropyl)carbamoyl]phenyl}-1h-indazol-1-yl)-n-methylbenzamide
COc1ccc2c(c1)C3=NN([C@@H]([C@@H]3CC2)c4ccc(c(c4)F)OC(F)(F)F)C(=O)CO	1HW	1-{(3s,3as)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-8-methoxy-3,3a,4,5-tetrahydro-2h-benzo[g]indazol-2-yl}-2-hydroxyethanone
C[C@@H](c1c(cccc1Cl)F)NC(=O)c2ccc(n2C)C#N	1HX	n-[(1s)-1-(2-chloro-6-fluorophenyl)ethyl]-5-cyano-1-methyl-1h-pyrrole-2-carboxamide
c1cc(c(c(c1)O)O)CCS(=O)(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	1HZ	5'-deoxy-5'-({[2-(2,3-dihydroxyphenyl)ethyl]sulfonyl}amino)adenosine
CC1CCC(CC1)Cn2c3c(cc(nc3c4cc(cnc4)Cl)C5=NOC(=O)N5)nc2N6CCO[C@H]7[C@H]6CCC7	1I0	3-[4-(5-chloropyridin-3-yl)-2-[(4ar,7ar)-hexahydrocyclopenta[b][1,4]oxazin-4(4ah)-yl]-3-{[(1r,4r)-4-methylcyclohexyl]methyl}-3h-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4h)-one
c1nc(c2c(n1)n(cn2)CCN[C@@H](CO)C(=O)NP(=O)(O)O)N	1I1	((2-(6-amino-9h-purin-9-yl)ethyl)-l-seryl)phosphoramidic acid
Cc1c(n(nc1C(=O)NCCNC2C3CC4CC(C3)CC2C4)c5ccc(cc5F)F)c6ccc(cc6)Cl	1I2	n-[2-(2-adamantylamino)ethyl]-1-[2,4-bis(fluoranyl)phenyl]-5-(4-chlorophenyl)-4-methyl-pyrazole-3-carboxamide
CC1CCC(CC1)[C@@H](C)n2c3c(cc(nc3c4cc(cnc4)Cl)C5=NOC(=O)N5)nc2[C@H](C)COC	1I3	3-[4-(5-chloropyridin-3-yl)-2-[(2s)-1-methoxypropan-2-yl]-3-{(1r)-1-[(1r,4r)-4-methylcyclohexyl]ethyl}-3h-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4h)-one
C[C@H](Cn1cnc2c1ncnc2N)N(CCP(=O)(O)O)CC(=O)O	1I4	(r)-n-(1-(6-amino-9h-purin-9-yl)propan-2-yl)-n-(2-phosphonoethyl)glycine
COc1cccc(c1)CN2CCC(CC2)(Cc3ccc(cc3)Cl)C(=O)/C=C(/C(=O)OC)\O	1I6	methyl (z)-4-(4-(4-chlorobenzyl)-1-(3-methoxybenzyl)piperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate
CC[C@@H]1C(=O)NC(=C)C(=O)N(CC(=O)N[C@@H](c2nc(cs2)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N1)Cc3c[nH]c4c3c(ccc4)OC)Cc5c[nH]c6c5cccc6)C)C	1I7	argyrin b
c1ccc2c(c1)C[C@@H](NC2)C(=O)N[C@H](Cc3ccc(cc3)Cl)C(=O)N4CCC(CC4)(Cn5cncn5)C6CCCCC6	1I8	(3r)-n-[(2r)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CCO[C@@H](c1nc2cc(nc(c2n1[C@H](C)C3CCC(CC3)C)c4cc(cnc4)Cl)C5=NOC(=O)N5)C6CC6	1I9	3-[4-(5-chloropyridin-3-yl)-2-[(r)-cyclopropyl(ethoxy)methyl]-3-{(1r)-1-[(1r,4r)-4-methylcyclohexyl]ethyl}-3h-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4h)-one
c1nc(c2c(n1)n(cn2)CCN[C@@H](CP(=O)(O)O)C(=O)O)N	1IA	(2~{r})-2-[2-(6-aminopurin-9-yl)ethylamino]-3-phosphono-propanoic acid
CCNC(=O)C1CC(C1)(c2ccc(c(c2)F)CN3CCCC3)F	1IB	n-ethyl-3-fluoranyl-3-[3-fluoranyl-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide
CCCCCCCC(=O)OC[C@H](C(=O)O)N	1IC	o-octanoyl-d-serine
CSc1cccc(c1)Nc2c3ccccc3[nH]c-4cccc24	1IE	~{n}-(3-methylsulfanylphenyl)-4~{h}-cyclopenta[b]quinolin-9-amine
c1cc(cc(c1)C(=O)Nc2cccc(c2)C(F)(F)F)C#Cc3ccc(nc3)N	1IF	3-[(6-aminopyridin-3-yl)ethynyl]-n-[3-(trifluoromethyl)phenyl]benzamide
CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)C(S3)(C)C)CCNC(=O)C	1IG	n-{2-[6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2,2-dimethyl-3-oxo-2,3-dihydro-4h-1,4-benzothiazin-4-yl]ethyl}acetamide
c1nc(c2c(n1)n(cn2)CCN[C@H](CP(=O)(O)O)C(=O)O)N	1IH	(s)-2-((2-(6-amino-9h-purin-9-yl)ethyl)amino)-3-phosphonopropanoic acid
c1ccc2c(c1)NC(=O)N2C3CCN(CC3)CCCC(c4ccc(cc4)F)c5ccc(cc5)F	1II	3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1~{h}-benzimidazol-2-one
c1cc(cc(c1)Oc2cnc(nc2)N)CCNC(=O)c3cccc(c3)OC(F)(F)F	1IJ	n-(2-{3-[(2-aminopyrimidin-5-yl)oxy]phenyl}ethyl)-3-(trifluoromethoxy)benzamide
c1nc(c2c(n1)n(cn2)CCCN[C@H](CP(=O)(O)O)C(=O)O)N	1IK	(s)-2-((3-(6-amino-9h-purin-9-yl)propyl)amino)-3-phosphonopropanoic acid
c1cc(cc(c1)C#Cc2cccnc2)CC(=O)Nc3cccc(c3)C(F)(F)F	1IM	2-{3-[(pyridin-3-yl)ethynyl]phenyl}-n-[3-(trifluoromethyl)phenyl]acetamide
C[C@H]1CC[C@H]([C@H]1NC(=O)[C@H](Cc2ccccc2)C[C@@H](C[N@@]3CCN(C[C@H]3C(=O)NC(C)(C)C)C(=O)CCc4cccnc4)O)O	1IN	1-[2-hydroxy-4-(2-hydroxy-5-methyl-cyclopentylcarbamoyl)5-phenyl-pentyl]-4-(3-pyridin-3-yl-propionyl)-piperazine-2-carb oxylic acid tert-butylamide
c1nc(c2c(n1)n(cn2)CCO[C@H](CP(=O)(O)O)C(=O)O)N	1IO	(s)-2-(2-(6-amino-9h-purin-9-yl)ethoxy)-3-phosphonopropanoic acid
C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)N	1IP	n~2~-(phosphonoacetyl)-l-asparagine
CC(C)[C@@]1(C(=O)NC(=N1)c2c(cc3ccccc3n2)C(=O)O)C	1IQ	2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1h-imidazol-2-yl)quinoline-3-carboxylic acid
COc1nc2cccnc2n1C3CC(C3)Nc4nc5ccccc5s4	1IR	n-[cis-3-(2-methoxy-3h-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine
COc1nc2cccnc2n1C3CC(C3)Nc4nc5ccccc5s4	1IS	n-[trans-3-(2-methoxy-3h-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine
c1ccc2c(c1)c3ccccc3o2	1IT	dibenzofuran
C[C@H](CP(=O)([C@H](Cc1ccccc1)NC(=O)[C@@H](Cc2[nH]nnn2)N)O)C(=O)N[C@@H](C)C(=O)N	1IU	[3-[[(2s)-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-2-methyl-3-oxidanylidene-propyl]-[(1r)-1-[[(2r)-2-azanyl-3-(1h-1,2,3,4-tetrazol-5-yl)propanoyl]amino]-2-phenyl-ethyl]phosphinic acid
Cc1ccc2c(c1)cc(n2Cc3ccc(cc3)Cl)[C@H]4C[C@@H](CN4C(=O)c5cc6cc[nH]c6nc5)n7ccnc7CN	1IV	[(2~{r},4~{s})-4-[2-(aminomethyl)imidazol-1-yl]-2-[1-[(4-chlorophenyl)methyl]-5-methyl-indol-2-yl]pyrrolidin-1-yl]-(1~{h}-pyrrolo[2,3-b]pyridin-5-yl)methanone
c1cc(c(cc1C(=O)Nc2ccc(c(c2)C(=O)Nc3cc4cc[nH]c4nc3)Cl)Cl)NCCO	1IW	2-chloro-5-{3-chloro-4-[(2-hydroxyethyl)amino]benzamido}-n-(1h-pyrrolo[2,3-b]pyridin-5-yl)benzamide
COc1ccc(nn1)[C@H](c2cc(c(cc2Cl)F)c3c4ccc(cc4ncn3)N5CCOCC5)O	1IX	(~{s})-[2-chloranyl-4-fluoranyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol
CN(C)CCCn1ccc2c1ccc(c2)c3c4cc[nH]c4nc(n3)S(=O)(=O)C	1IY	n,n-dimethyl-3-[5-(2-methylsulfonyl-7h-pyrrolo[2,3-d]pyrimidin-4-yl)indol-1-yl]propan-1-amine
c1cc(cc(c1)OC(F)(F)F)C(=O)NC[C@@H]2CCCC[C@H]2CCOc3cccnc3	1IZ	n-{[(1r,2s)-2-{2-[(pyridin-3-yl)oxy]ethyl}cyclohexyl]methyl}-3-(trifluoromethoxy)benzamide
CC1=Cc2cc3c(c(c2C(=O)O1)O)[C@]4(C(=C5C(=C([C@]4(CC3)O)O)C(=O)C6=C(C5=O)C(=O)C(=CC6=O)OC)O)O	1J0	collinone
C1C[C@@H](N=C1)C(=O)NCCCC[C@@H](C(=O)O)N	1J1	n~6~-[(2r)-3,4-dihydro-2h-pyrrol-2-ylcarbonyl]-l-lysine
CS(=O)(=O)C1CCN(CC1)c2cccc3c2ccn3c4ccnc(n4)NC5CCC(CC5)O	1J2	trans-4-[(4-{4-[4-(methylsulfonyl)piperidin-1-yl]-1h-indol-1-yl}pyrimidin-2-yl)amino]cyclohexanol
CN1CCN(CC1)NC(=O)c2ccc(c(c2)OC)Nc3ncc4c(n3)N(C[C@@](C(=O)N4C)(C=C)F)C5CCCC5	1J3	4-{[(7r)-9-cyclopentyl-7-ethenyl-7-fluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5h-pyrimido[4,5-b][1,4]diazepin-2-yl]amino}-3-methoxy-n-(4-methylpiperazin-1-yl)benzamide
CN1CCC(CC1)NC(=O)c2cc(c(cc2F)Nc3ncc4c(n3)N(CC(C(=O)N4C)(F)F)C5CCCC5)OC	1J4	4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5h-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2-fluoro-5-methoxy-n-(1-methylpiperidin-4-yl)benzamide
C[C@H](c1nc2cnc3c(c2n1C4CCC(CC4)C#N)cc[nH]3)O	1J5	trans-4-{2-[(1r)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl}cyclohexanecarbonitrile
C[C@H](c1nc2cnc3c(c2n1C4CCC(CC4)CC#N)cc[nH]3)O	1J6	(trans-4-{2-[(1r)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl}cyclohexyl)acetonitrile
c1ccc(c(c1)n2c3c(cn2)c(ncn3)O[C@@H](COCCO)C(=O)Nc4ccc(cn4)Cl)Cl	1J9	(2s)-2-{[1-(2-chlorophenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-n-(5-chloropyridin-2-yl)-3-(2-hydroxyethoxy)propanamide
CCc1cc(ccn1)C(=N)S	1JA	2-ethylpyridine-4-carboximidothioic acid
C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O	1JB	[[(2r,3s,5r)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3r,4s,5r,6r)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
c1ccnc(c1)CNS(=O)(=O)Cc2ccc3c(c2)C(=O)c4cc(cnc4C=C3)c5cnn(c5)C6CCNCC6	1JC	1-{5-oxo-3-[1-(piperidin-4-yl)-1h-pyrazol-4-yl]-5h-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}-n-(pyridin-2-ylmethyl)methanesulfonamide
Cc1ccc(nc1)NC(=O)[C@H](COC(C)C)Oc2c3cnn(c3ncn2)c4c(cccn4)Cl	1JD	(2s)-2-{[1-(3-chloropyridin-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-n-(5-methylpyridin-2-yl)-3-(propan-2-yloxy)propanamide
CCC[C@]1(c2c(c3c(ccc(c3[nH]2)Cl)Cl)CCO1)CC(=O)O	1JE	[(1r)-5,8-dichloro-1-propyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid
c1cc(c(cc1Cl)NS(=O)(=O)c2cc(c(cc2Cl)Cl)Cl)C(=O)O	1JF	4-chloro-2-{[(2,4,5-trichlorophenyl)sulfonyl]amino}benzoic acid
c1cc(c(cc1Cl)NS(=O)(=O)c2ccc(s2)Br)C(=O)O	1JG	2-{[(5-bromothiophen-2-yl)sulfonyl]amino}-4-chlorobenzoic acid
Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(=O)O)Oc3ccccc3	1JH	2-{[(4-methylphenyl)sulfonyl]amino}-5-phenoxybenzoic acid
c1ccc(cc1)[C@@H]2CNC[C@H]2NC(=O)c3ccc(c(c3)COc4cc5cc[nH]c5nc4)Cl	1JI	4-chloro-n-[(3s,4r)-4-phenylpyrrolidin-3-yl]-3-{[(1h-pyrrolo[2,3-b]pyridin-5-yl)oxy]methyl}benzamide
CC[C@@H](O)P(=O)(O)O	1JJ	[(1s)-1-hydroxypropyl]phosphonic acid
C[C@@H](Cc1cc(no1)c2ccccc2)C(=O)O	1JK	(2s)-2-methyl-3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid
Cc1ccc(cc1)S(=O)(=O)Nc2cc(ccc2C(=O)O)Oc3ccccc3	1JL	2-{[(4-methylphenyl)sulfonyl]amino}-4-phenoxybenzoic acid
CN[C@H](Cc1ccc(cc1)C(=O)O)C(=O)O	1JM	4-carboxy-n-methyl-d-phenylalanine
Cc1cc(ccc1OC)Cn2cnc3c2cc4c(c3)CCC4	1JN	1-(4-methoxy-3-methylbenzyl)-1,5,6,7-tetrahydroindeno[5,6-d]imidazole
c1ccc(cc1)CCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@H](C(=O)O)N	1JO	d-gamma-glutamyl-s-(4-phenylbutyl)-l-cysteinylglycine
c1ccc(cc1)CC[C@H](CSC[C@@H](C(=O)/N=C\C(=O)O)NC(=O)CC[C@H](C(=O)O)N)O	1JP	d-gamma-glutamyl-(z)-n-(carboxymethylidene)-s-[(2r)-2-hydroxy-4-phenylbutyl]-l-cysteinamide
C[C@H](Cc1cc(no1)c2ccccc2)C(=O)O	1JQ	(2r)-2-methyl-3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid
c1ccc(cc1)c2c3c(n[nH]2)C(=O)N[C@H]3c4cccnc4	1JR	(4s)-3-phenyl-4-(pyridin-3-yl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2h)-one
c1ccc(cc1)C#Cc2ccc(cc2)C(=O)N[C@@H](CCC(=O)NCCCO)C(=O)NO	1JS	n~1~-hydroxy-n~5~-(3-hydroxypropyl)-n~2~-[4-(phenylethynyl)benzoyl]-l-glutamamide
Cc1cc(ccc1OC)Cn2cnc3c2cc4c(c3)CCCC4	1JT	1-(4-methoxy-3-methylbenzyl)-5,6,7,8-tetrahydro-1h-naphtho[2,3-d]imidazole
c1cc2c(cc1Cn3cnc4c3cc5c(c4)CCCC5)OCO2	1JU	1-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydro-1h-naphtho[2,3-d]imidazole
CC(C)(Cn1cc(cn1)c2ccc-3c(c2)OCCc4c3nc(s4)c5ncnn5CC(F)(F)F)O	1JV	2-methyl-1-(4-{2-[1-(2,2,2-trifluoroethyl)-1h-1,2,4-triazol-5-yl]-4,5-dihydro[1]benzoxepino[5,4-d][1,3]thiazol-8-yl}-1h-pyrazol-1-yl)propan-2-ol
C(CCO)C[C@@H](CO)O	1JW	(2s)-hexane-1,2,6-triol
C[C@@H]1C(=O)Nc2c(cccn2)N1	1JX	(2r)-2-methyl-1,4-dihydropyrido[2,3-b]pyrazin-3(2h)-one
C#CCN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)[C@H]2CCc3c2cc4c(c3)NC(=NC4=O)CO	1JY	n-(4-{[(6s)-2-(hydroxymethyl)-4-oxo-4,6,7,8-tetrahydro-1h-cyclopenta[g]quinazolin-6-yl](prop-2-yn-1-yl)amino}benzoyl)-l-gamma-glutamyl-d-glutamic acid
[H]/N=C(\N)/Nc1ccc(cc1)CO	1JZ	1-[4-(hydroxymethyl)phenyl]guanidine
Cc1cc(cc(c1OCCO)C)C2=Nc3cc(cc(c3C(=O)N2)OC)OC	1K0	2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3h)-one
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](COC(=O)[C@H](CCCCN)N)O)OC(=O)CCCCCCC/C=C/CCCCCCCC	1K1	[(2r)-1-[[(2r)-3-[(2s)-2,6-bis(azanyl)hexanoyl]oxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (e)-octadec-9-enoate
c1ccc(cc1)[C@@H]2C[C@H]2NC(=O)c3cc(cc(c3)Cl)COc4cc5cc[nH]c5nc4	1K2	3-chloro-n-[(1r,2s)-2-phenylcyclopropyl]-5-{[(1h-pyrrolo[2,3-b]pyridin-5-yl)oxy]methyl}benzamide
CN1CCN(CC1)c2ccc(cc2)Nc3nc4cccc(n4n3)c5ccc(cc5)OC	1K3	5-(4-methoxyphenyl)-n-[4-(4-methylpiperazin-1-yl)phenyl][1,2,4]triazolo[1,5-a]pyridin-2-amine
CCCCCCCCCC(=O)N[C@@H](CCO)C(=O)O	1K4	n-decanoyl-l-homoserine
c1ccc2c(c1)C(=O)c3ccccc3N2CC(=O)O	1K5	(9-oxoacridin-10(9h)-yl)acetic acid
CC[C@H](C)[C@H](C=O)[C@H](C(=O)O)O	1K6	(2r,3s,4s)-3-formyl-2-hydroxy-4-methylhexanoic acid
c1ccc(cc1)CC[C@H](C[C@@H]2C[C@@H]2N)N	1K7	(1s,2s)-2-[(2r)-2-azanyl-4-phenyl-butyl]cyclopropan-1-amine
c1ccc2c(c1)cc(c(n2)N3CCNCC3)Cl	1K8	3-chloranyl-2-piperazin-1-yl-quinoline
c1cc(cc(c1)NC(=O)Nc2cc(ccc2c3ccsc3)S(=O)(=O)NC4CC4)C(F)(F)F	1K9	1-[5-(cyclopropylsulfamoyl)-2-thiophen-3-yl-phenyl]-3-[3-(trifluoromethyl)phenyl]urea
C(COCC=O)O	1KA	(2-hydroxyethoxy)acetaldehyde
CSCCC=C[C@H](CC(=O)O)O	1KC	(3s)-7-methylsulfanyl-3-oxidanyl-hept-4-enoic acid
CC(C)(C(=O)N[C@H](COCc1ccccc1)C(=O)N2CCC3(CC2)CN(c4c3cccc4)S(=O)(=O)C)N	1KD	1-(methanesulfonyl)-1'-(2-methyl-l-alanyl-o-benzyl-d-seryl)-1,2-dihydrospiro[indole-3,4'-piperidine]
c1c(cnc(c1Cl)N2CCNCC2)I	1KE	1-(3-chloranyl-5-iodanyl-pyridin-2-yl)piperazine
Cc1cnc(n1Cc2ccccc2OCCC[C@@H](C)CC(=O)O)c3ccc(cc3)C(F)(F)F	1KF	(3r)-3-methyl-6-[2-[[5-methyl-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid
CCC(=O)OC[C@H](C)CC[C@@H]1[C@H]([C@H]2[C@@H](O1)C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C)C	1KG	(3beta,9beta,22r,25r)-3-hydroxyfurost-5-en-27-yl propanoate
C([C@H]([C@@H]([C@H](C(O)O)O)O)O)[As](=O)(O)O	1KH	arsenoribose
Cc1cc2c(cc1N(C)CCOCCF)sc(n2)/C=C/c3ccc(c(c3)Br)O	1KI	2-bromanyl-4-[(~{e})-2-[6-[2-(2-fluoranylethoxy)ethyl-methyl-amino]-5-methyl-1,3-benzothiazol-2-yl]ethenyl]phenol
[H]/N=C(\NCCC[C@@H](C(=O)O)N)/NOC	1KJ	n~5~-(n-methoxycarbamimidoyl)-l-ornithine
c1nc(c2c(n1)n(cn2)CCCO[C@H](CP(=O)(O)O)C(=O)O)N	1KK	(s)-2-(3-(6-amino-9h-purin-9-yl)propoxy)-3-phosphonopropanoic acid
CC(C)(C)c1ccc(cc1)NC(=O)c2ccc(cc2)N\3C(=O)CS/C3=C(/C#N)\C(=O)OC	1KL	methyl (2z)-(3-{4-[(4-tert-butylphenyl)carbamoyl]phenyl}-4-oxo-1,3-thiazolidin-2-ylidene)(cyano)acetate
C[C@@H]([C@H](P(=O)(O)O)SC[C@@H](C(=O)O)N)O	1KM	(2r)-2-azanyl-3-[(1r,2s)-2-oxidanyl-1-phosphono-propyl]sulfanyl-propanoic acid
C[C@H]1[C@H]([C@H]([C@@H](N1)c2ccc(cc2)OC)O)O	1KN	(2s,3s,4r,5s)-2-(4-methoxyphenyl)-5-methylpyrrolidine-3,4-diol
c1cc(ccc1c2cn3c(n2)c(cnc3C(=O)N)N[C@H]4CCCNC4)Cl	1KO	2-(4-chlorophenyl)-8-[(3s)-piperidin-3-ylamino]imidazo[1,2-c]pyrimidine-5-carboxamide
c1cc(c(c2c1C(=NO)C(=O)N2)Cl)Cl	1KP	(3e)-6,7-dichloro-3-(hydroxyimino)-1,3-dihydro-2h-indol-2-one
Cc1cc(ncn1)c2ccc3c(c2)CC[C@H]3N4CC5(C4)CCN(CC5)C(=O)Cc6cn7cc(sc7n6)C	1KQ	 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1-[2-[(1r)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1h-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
CC[C@H](C)[C@H](C=O)[C@H](C(=O)N[C@H]1C[C@H]1C[C@@H](CCc2ccccc2)NC(=O)[C@H](C)NC(=O)OCc3ccccc3)O	1KR	benzyl [(2s)-1-({(2r)-1-[(1s,2s)-2-{[(2r,3s,4s)-3-formyl-2-hydroxy-4-methylhexanoyl]amino}cyclopropyl]-4-phenylbutan-2-yl}amino)-1-oxopropan-2-yl]carbamate
Cn1c(ccn1)c2c3ccccc3c(nn2)N4CCC(CC4)N(C)C(=O)c5ccc(cc5C(F)(F)F)F	1KS	4-fluoro-n-methyl-n-{1-[4-(1-methyl-1h-pyrazol-5-yl)phthalazin-1-yl]piperidin-4-yl}-2-(trifluoromethyl)benzamide
COc1cc2c(c(c1)OC)[C@@H]3[C@H]4CCC[C@H](N4C(=O)C(=O)c5cc(c(c(c5)OC)OC)OC)C(=O)N3CC2	1KT	1-[(9s,13r,13ar)-1,3-dimethoxy-8-oxo-5,8,9,10,11,12,13,13a-octahydro-6h-9,13-epiminoazocino[2,1-a]isoquinolin-14-yl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
COc1ccc(cc1OC)OCCN2CC[C@H]3CCC[C@@H](C2=O)[N@@]3S(=O)(=O)c4ccc5c(c4)scn5	1KU	(1s,6r)-10-(1,3-benzothiazol-6-ylsulfonyl)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one
CO[C@@H]1CC[C@@H]([C@H](C1)NC(=O)CN2CCN(CC2)Cc3ccc4c(c3)OCO4)OC	1KV	2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-n-[(1s,2s,5s)-2,5-dimethoxycyclohexyl]acetamide
B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612	1KW	ortho-carborane
c1nc2c(nc(nc2n1[C@@H]3C[C@@H](C=C3)CO)N)NC4CC4	1KX	{(1s,4r)-4-[2-amino-6-(cyclopropylamino)-9h-purin-9-yl]cyclopent-2-en-1-yl}methanol
COc1ccc(cc1OC)OCCN2C[C@H]3CCC[C@@H](C2=O)[N@@]3S(=O)(=O)c4ccc5c(c4)SC(=O)N5	1KY	6-({(1s,5r)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-2-oxo-3,9-diazabicyclo[3.3.1]non-9-yl}sulfonyl)-1,3-benzothiazol-2(3h)-one
COc1ccc(cc1OC)OCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)c3ccc4c(c3)SC(=O)N4	1KZ	2-(3,4-dimethoxyphenoxy)ethyl (2s)-1-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]piperidine-2-carboxylate
CN(C)C(=O)CCc1cc2c(nc1)N(C(=O)C(=C2N)C(=O)NCc3ccc(cc3F)F)O	1L0	4-azanyl-~{n}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[3-(dimethylamino)-3-oxidanylidene-propyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide
C1CCC(CC1)C[C@H](C(=O)O)NS(=O)(=O)N	1L1	3-cyclohexyl-n-sulfamoyl-d-alanine
CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC	1L2	(2s)-3-(alpha-d-galactopyranosyloxy)-2-[(9z)-octadec-9-enoyloxy]propyl (9z,12z)-octadeca-9,12-dienoate
CC1=C(C(=O)c2ccccc2C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	1L3	menaquinone-4
c1cc(cc(c1)C#N)C[C@H](C(=O)N2CCCC2)NS(=O)(=O)c3cc4c(c(c3)F)CNCC4	1L4	n-[(2r)-3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl]-8-fluoro-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide
C/C(=C\N(=O)=O)/c1ccccc1	1L5	[(1e)-1-nitroprop-1-en-2-yl]benzene
CCC(C)(C)c1c2c(n(n1)CCO)C(=O)NCC(=N2)c3ccc(cc3)n4ccnc4C	1L6	1-(2-hydroxyethyl)-3-(2-methylbutan-2-yl)-5-[4-(2-methyl-1h-imidazol-1-yl)phenyl]-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-8(1h)-one
c1ccc(cc1)CNC(=O)/C(=C/c2ccncc2)/C#N	1L7	(2e)-n-benzyl-2-cyano-3-(pyridin-4-yl)prop-2-enamide
c1cc(cc(c1)C(F)(F)F)C[C@H](C(=O)N2CCCC2)NS(=O)(=O)c3cc4c(c(c3)F)CNCC4	1L8	8-fluoro-n-{(2r)-1-oxo-1-(pyrrolidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-yl}-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)Nc2ccc(cc2)Cl)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	1L9	n-[(2s,3s,4r)-1-({6-o-[(4-chlorophenyl)carbamoyl]-alpha-d-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)Nc2ccncc2)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	1LA	n-[(2s,3s,4r)-3,4-dihydroxy-1-{[6-o-(pyridin-4-ylcarbamoyl)-alpha-d-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide
c1cc2c(cc1C[C@@H](C#N)C(=O)N)cn[nH]2	1LB	(2s)-2-cyano-3-(1h-indazol-5-yl)propanamide
c1cc(cc(c1)C(=O)c2c[nH]c3c2cccn3)C[C@H](C#N)C(=O)N	1LC	(2r)-2-cyano-3-[3-(1h-pyrrolo[2,3-b]pyridin-3-ylcarbonyl)phenyl]propanamide
C1=C(C(=NC(=O)N1)N)F	1LD	5-fluorocytosine
CC(C)(CO)NC(=O)[C@@H](Cc1ccc2c(c1)c(n[nH]2)c3cc(c(c(c3)OC)OC)OC)C#N	1LE	(2s)-2-cyano-n-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1h-indazol-5-yl]propanamide
Cc1nc(nc(n1)N2CCC(CC2)C(=O)NCc3ccccc3C(F)(F)F)NC	1LF	1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-n-[2-(trifluoromethyl)benzyl]piperidine-4-carboxamide
c1c(c(cc(c1S(=O)(=O)N2CCOCC2)Cl)Cl)C(=O)Nc3c(c4c(s3)CCCC4)C#N	1LG	2,4-dichloro-n-(3-cyano-4,5,6,7-tetrahydro-benzothiophen-2yl)-5-(morpholine-4-sulfonyl)-benzamide
CC[C@H](c1ccc(c(c1F)Oc2ccccc2)Cl)[NH2+][C@@H](C)CC(=O)NCC[NH3+]	1LH	(2s)-4-[(2-ammonioethyl)amino]-n-[(1r)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propyl]-4-oxobutan-2-aminium
CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H](CNC2(CCCCC2)c3cccc(c3)C(C)(C)C)O	1LI	n-[(1s,2r)-3-{[1-(3-tert-butylphenyl)cyclohexyl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide
c1ccc(cc1)S(=O)(=O)c2ccc(cc2)NC(=O)NCc3ccc(nc3)N	1LJ	1-[(6-aminopyridin-3-yl)methyl]-3-[4-(phenylsulfonyl)phenyl]urea
C1[C@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)O)O)F	1LK	1,4-anhydro-2-deoxy-2-fluoro-5-o-[(s)-hydroxy(phosphonooxy)phosphoryl]-d-arabinitol
C([C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)S[C@H]2[C@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)O	1LL	thioditaloside
c1ccc2c(c1)c(ccn2)N	1LM	quinolin-4-amine
C1=CC=[N](C(=C1)N)CCO	1LN	2-(2-aminopyridin-1-ium-1-yl)ethanol
C[C@H](C=O)c1ccccc1	1LP	tranylcypromine
c1ccc2c(c1)c(ncn2)N	1LQ	quinazolin-4-amine
c1ccc(cc1)C(=O)Nc2cccc(c2O)C(=O)O	1LR	3-(benzoylamino)-2-hydroxybenzoic acid
c1cc(cnc1)CNC(=S)Nc2ccc(cc2)S(=O)(=O)N3CCCCC3	1LS	1-[4-(piperidin-1-ylsulfonyl)phenyl]-3-(pyridin-3-ylmethyl)thiourea
Cc1c(sc(n1)NC(=O)N2CCC[C@H]2C(=O)N)c3ccnc(c3)C(C)(C)C(F)(F)F	1LT	(2s)-n~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide
CC(C)C[C@@H](C(=O)O)O	1LU	(2s)-2-hydroxy-4-methyl-pentanoic acid
c1csc2c1c(c3c(n2)CCCC3)N	1LW	5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine
c1cc(n2ccnc2c1)N	1LX	imidazo[1,2-a]pyridin-5-amine
c1cc2nccn2cc1N	1LY	imidazo[1,2-a]pyridin-6-amine
c1c[nH]c2c1ncc(c2)CO	1LZ	1h-pyrrolo[3,2-b]pyridin-6-ylmethanol
C=CC[C@H](COc1ccc(cc1)c2nc3ccccc3n2Cc4ccccc4)n5c6ccccc6nc5c7ccccc7	1M0	1-benzyl-2-(4-{[(2r)-2-(2-phenyl-1h-benzimidazol-1-yl)pent-4-en-1-yl]oxy}phenyl)-1h-benzimidazole
c1ccc2c(c1)-c3nc4ccccc4n3[C@@H](N2)c5ccccn5	1M1	(6r)-6-(pyridin-2-yl)-5,6-dihydrobenzimidazo[1,2-c]quinazoline
CNc1[nH]c2ccccc2n1	1M2	n-methyl-1h-benzimidazol-2-amine
Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)N4CCN(CC4)C	1M3	n-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide
CC1(C[C@@]2(c3cc(ccc3O1)Br)C(=O)N(C(=N2)N)C)C	1M4	(4r)-2'-amino-6-bromo-1',2,2-trimethyl-2,3-dihydrospiro[chromene-4,4'-imidazol]-5'(1'h)-one
CC1(C[C@@]2(c3cc(ccc3O1)c4cccc(c4)Cl)C(=O)N(C(=N2)N)C)C	1M5	(4r)-2'-amino-6-(3-chlorophenyl)-1',2,2-trimethyl-2,3-dihydrospiro[chromene-4,4'-imidazol]-5'(1'h)-one
CC1(C[C@@]2(c3cc(ccc3O1)c4cccc(c4)C#N)C(=O)N(C(=N2)N)C)C	1M6	3-[(4r)-2'-amino-1',2,2-trimethyl-5'-oxo-1',2,3,5'-tetrahydrospiro[chromene-4,4'-imidazol]-6-yl]benzonitrile
CC1(Cc2ccc(cc2[C@]3(C1)C(=O)N(C(=N3)N)C)c4cncnc4)C	1M7	(4r)-2-amino-1,3',3'-trimethyl-7'-(pyrimidin-5-yl)-3',4'-dihydro-2'h-spiro[imidazole-4,1'-naphthalen]-5(1h)-one
Cc1ccc(cc1NC(=O)c2ccc(s2)c3ccccc3Cl)C(=O)NC4CC4	1M8	5-(2-chlorophenyl)-n-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide
CC1CCC(CC1)C(=O)N(c2ccc(cc2C(=O)O)Oc3ccccc3C(F)(F)F)C(C)C	1M9	2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}-5-[2-(trifluoromethyl)phenoxy]benzoic acid
[H]/N=C\1/c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CN1C	1MA	6-hydro-1-methyladenosine-5'-monophosphate
c1cc(c(nc1)Oc2ccc3c(c2)C(=O)N=CN3Cc4ccc(cc4F)F)C(F)(F)F	1MB	1-(2,4-difluorobenzyl)-6-{[3-(trifluoromethyl)pyridin-2-yl]oxy}quinazolin-4(1h)-one
CN1C=CC(=NC1=O)N	1MC	1-methylcytosine
Cc1c(c(c2c(n1)CN(C2=O)CC(=O)N(C)C)c3ccc(cc3Cl)Cl)CN	1MD	2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5,7-dihydro-6h-pyrrolo[3,4-b]pyridin-6-yl]-n,n-dimethylacetamide
CC([C@H](C(=O)O)N)SC	1ME	(2s)-2-amino-3-methylsulfanyl-butanoic acid
c1ccc(cc1)Oc2ccc(cc2)c3ccc(cc3)COc4ccccc4CCN(CCCCC(=O)O)Cc5ccc(cc5)C(=O)O	1MF	4-{[(4-carboxybutyl)(2-{2-[(4'-phenoxybiphenyl-4-yl)methoxy]phenyl}ethyl)amino]methyl}benzoic acid
CN1C(=O)c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C1N	1MG	1n-methylguanosine-5'-monophosphate
c1cc(cnc1)C[C@@H](C(=O)O)N	1MH	3-pyridin-3-yl-l-alanine
C(CO)C(CO)CO	1MI	2-(hydroxymethyl)butane-1,4-diol
c1c[nH]c2c1ncc(c2)C=O	1MJ	1h-pyrrolo[3,2-b]pyridine-6-carbaldehyde
CC(C)C12=CC=C([Os]1([N]3=C(C=CC=C3)C(=S)Nc4ccc(cc4)F)Cl)(C=C2)C	1MK	chlorido(eta-6-p-cymene)(n-fluorophenyl-2-pyridinecarbothioamide)osmium(ii)
CC1CCC(CC1)C(=O)N(c2ccc(cc2C(=O)O)Oc3ccc(cc3)NC(=O)c4ccc(cc4)OC)C(C)C	1ML	5-{4-[(4-methoxybenzoyl)amino]phenoxy}-2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}benzoic acid
Cc1nc(nc(n1)OC)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC	1MM	methyl 2-[({[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl}amino)sulfonyl]benzoate
CN1[C@@H]([C@@H](O[C@H](C1=O)Cc2ccccc2)c3ccc(cc3)Br)c4ccc(cc4)Br	1MN	(2s,5r,6s)-2-benzyl-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one
CN1[C@@H]([C@@H](O[C@H](C1=O)Cc2ccccc2)c3ccc(cc3)Cl)c4ccc(cc4)Cl	1MO	(2s,5r,6s)-2-benzyl-5,6-bis(4-chlorophenyl)-4-methylmorpholin-3-one
C/C=C/[C@H](C(=O)O)N1[C@@H]([C@@H](O[C@H](C1=O)Cc2ccc(cc2)F)c3ccc(cc3)Cl)c4ccc(cc4)Cl	1MQ	(2r,3e)-2-[(2s,3r,6s)-2,3-bis(4-chlorophenyl)-6-(4-fluorobenzyl)-5-oxomorpholin-4-yl]pent-3-enoic acid
CNc1ccccc1	1MR	n-methylaniline
Cc1ccnc(n1)NC(=O)NS(=O)(=O)c2ccccc2[N+](=O)[O-]	1MS	n-[(4-methylpyrimidin-2-yl)carbamoyl]-2-nitrobenzenesulfonamide
CC(C)(C)C[C@H]1[C@]2(c3ccc(cc3NC2=O)Cl)[C@H]([C@@H](N1)C(=O)NCCN)c4cccc(c4F)Cl	1MT	(2's,3r,4's,5'r)-n-(2-aminoethyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide
c1cc(ccc1CCNS(=O)(=O)c2ccsc2C(=O)O)C(=O)O	1MU	3-{[2-(4-carboxyphenyl)ethyl]sulfamoyl}thiophene-2-carboxylic acid
Cc1ccc(cc1)c2cc3c(ncnc3s2)NC(P(=O)(O)O)P(=O)(O)O	1MV	({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methanediyl)bis(phosphonic acid)
c1cc(ccc1CCCNS(=O)(=O)c2ccsc2C(=O)O)C(=O)O	1MW	3-{[3-(4-carboxyphenyl)propyl]sulfamoyl}thiophene-2-carboxylic acid
c1ccc(cc1)NC(=O)NCCNC(=O)c2cnc3c(n2)N=C(NC3=O)N	1MX	2-amino-4-oxo-n-{2-[(phenylcarbamoyl)amino]ethyl}-3,4-dihydropteridine-7-carboxamide
CC[C@@H](CO)N1[C@@H]([C@@H](O[C@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl	1MY	{(2s,5r,6s)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(2s)-1-hydroxybutan-2-yl]-3-oxomorpholin-2-yl}acetic acid
Cn1cc[nH+]c1	1MZ	1-methylimidazole
[H]/N=C(/N)\Nc1ccc(cc1)N[C@H]2C[C@H]([C@@H](C[C@@H]2Oc3ccc(cc3)N/C(=N\[H])/N)Oc4ccc(cc4)N/C(=N/[H])/N)N/C(=N/[H])/N	1N	1-[(1~{r},2~{r},4~{s},5~{s})-2,4-bis(4-carbamimidamidophenoxy)-5-[(4-carbamimidamidophenyl)amino]cyclohexyl]guanidine
C1CC(=O)N(C1=O)CCCCCCN2C(=O)CCC2=O	1N0	1,1'-hexane-1,6-diyldipyrrolidine-2,5-dione
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl	1N1	n-(2-chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamide
C1CC(=O)N(C1=O)CCN2C(=O)CCC2=O	1N2	1,1'-ethane-1,2-diyldipyrrolidine-2,5-dione
COc1ccc(cc1)c2[nH]c3c(n2)c(c(cn3)Br)NCCCNC(=O)C4(CC4)CN	1N3	1-(aminomethyl)-n-(3-{[6-bromo-2-(4-methoxyphenyl)-3h-imidazo[4,5-b]pyridin-7-yl]amino}propyl)cyclopropanecarboxamide
CCCc1cnn(c1[C@H](C(=O)O)N)O	1N4	(2r)-amino(1-hydroxy-4-propyl-1h-pyrazol-5-yl)ethanoic acid
C(C[C@@H](C[C@H](C(=O)O)O)O)CO	1N5	(2r,4s)-2,4,7-trihydroxyheptanoic acid
c1cc(cc(c1)Nc2c3c(nc(n2)NC4CCC(CC4)N)C=CNC3=O)C(F)(F)F	1N6	2-[(trans-4-aminocyclohexyl)amino]-4-{[3-(trifluoromethyl)phenyl]amino}pyrido[4,3-d]pyrimidin-5(6h)-one
C[C@H](CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C	1N7	chapso
CCN(CC)CC(=O)Nc1ccc(cc1NC(=O)c2ccc(c(c2)c3ccc4c(c3)cnc(n4)NC)C)C(F)(F)F	1N8	n-{2-[(n,n-diethylglycyl)amino]-5-(trifluoromethyl)phenyl}-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide
Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C	1N9	2,6-dimethylphenyl 2-(3,5-dimethoxy-4-(3-(4-methylpiperazin-1-yl)propoxy)phenylamino)pyrimidin- 4-yl(2,4-dimethoxyphenyl)carbamate
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)CO)O)O	1NA	n-acetyl-o-methyl-d-glucosamine
C=CC[C@@H](C=O)[C@H]1CCC[C@@H]1O	1NB	2-(2-hydroxy-cyclopentyl)-pent-4-enal
c1cc(ccc1C(=O)N2CCCC2)n3c4c(c(n3)C(F)(F)F)CCCC4	1ND	1-[4-(1-pyrrolidinylcarbonyl)phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazole
CN(C)C(=O)c1ccc(cc1)n2c3c(c(n2)C(F)(F)F)CCCC3	1NE	n,n-dimethyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]benzamide
c1cc(c(cc1n2c3c(c(n2)C(F)(F)F)CCCC3)F)CN4CCCC4=O	1NF	n,n-dimethyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]benzamide
c1cc(ccc1CC(=O)N2CCCC2)n3c4c(c(n3)C(F)(F)F)CCCC4	1NG	1-{4-[2-oxo-2-(1-pyrrolidinyl)ethyl]phenyl}-3-( trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazole
C/C(=C\CO[P@](=O)(O)OP(=O)(O)O)/CC\C=C(/C)\COCc1cccc(c1)C(=O)c2ccccc2	1NH	(2e,6e)-8-[(3-benzoylbenzyl)oxy]-3,7-dimethylocta-2,6-dienyl trihydrogen diphosphate
CC[C@@H](C(=O)N[C@@H](Cc1cccc2c1cccc2)C(=O)N)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cccc4c3cccc4)NC(=O)C)O	1NI	4-[2-(2-acetylamino-3-naphthalen-1-yl-propionylamino)-3-methyl-butyrylamino]-3-hydroxy-6-methyl-heptanoic acid [1-(1-carbamoyl-2-naphthalen-1-yl-ethylcarbamoyl)-propyl]-amide
[H]/N=C(\c1ccc(cc1)NC(=O)c2c(ccc(n2)OC)c3ccc(cc3C(=O)O)C(=O)N[C@H](CO)C(C)(C)C)/N	1NJ	2-{2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2s)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid
CC(C)(C)[C@@H](CO)NC(=O)c1ccc(c(c1)C(=O)O)c2ccc(nc2C(=O)Nc3ccc4c(c3)ccnc4N)OC	1NK	2-{2-[(1-aminoisoquinolin-6-yl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2s)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid
CC(C)(C)[C@@H](CO)NC(=O)c1ccc(c(c1)C(=O)O)c2ccc(nc2C(=O)Nc3cccc(c3)C(=O)N)OC	1NL	2-{2-[(3-carbamoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2s)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid
COc1ccc(cc1OCCF)c2nc(cs2)CSc3nc(cc(n3)N)N	1NM	2-[({2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine
CCc1c(nc(s1)c2ccc(c(c2)OCCF)OC)CSc3nc(cc(n3)N)N	1NN	2-[({5-ethyl-2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine
Cc1c(nc(s1)c2ccc(c(c2)OCCF)OC)CSc3nc(cc(n3)N)N	1NO	2-[({2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine
c1ccc2c(c1)cccc2O	1NP	1-naphthol
CCNC(=O)c1ccc(s1)C(=O)NCCC2CCN(CC2)c3c4c(cc(s4)C(=O)N)ncn3	1NQ	n-{2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl}-n'-ethylthiophene-2,5-dicarboxamide
CC(C)(C)C(=O)NCCC1CCN(CC1)c2c3c(cc(s3)C(=O)N)ncn2	1NR	4-(4-{2-[(2,2-dimethylpropanoyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide
CS(=O)(=O)NCCC1CCN(CC1)c2c3c(cc(s3)C(=O)N)ncn2	1NS	4-(4-{2-[(methylsulfonyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide
C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)[C@@](C(=O)O)(O)OP(=O)(O)O	1NT	(2r,4r,5r,6r,7r)-2,4,5,6,7-pentahydroxy-2,8-bis(phosphonooxy)octanoic acid
c1ccc(c(c1)C(F)(F)F)Oc2ccc3c(c2)C(=O)N=CN3Cc4c(cc(cc4F)F)F	1NU	1-(2,4,6-trifluorobenzyl)-6-[2-(trifluoromethyl)phenoxy]quinazolin-4(1h)-one
c1cc(c(c(c1)Oc2ccc3c(c2)C(=O)N=CN3Cc4c(cc(cc4F)F)F)C(F)(F)F)C(=O)N	1NV	3-{[4-oxo-1-(2,4,6-trifluorobenzyl)-1,4-dihydroquinazolin-6-yl]oxy}-2-(trifluoromethyl)benzamide
c1cc(c(c(c1)Oc2ccc3c(c2)C(=O)N=CN3Cc4c(cc(cc4F)F)F)C(F)(F)F)C(=O)Nc5cccnc5	1NW	3-{[4-oxo-1-(2,4,6-trifluorobenzyl)-1,4-dihydroquinazolin-6-yl]oxy}-n-(pyridin-3-yl)-2-(trifluoromethyl)benzamide
C[C@@H](C1CC1)NC(=O)c2c[nH]c3c2nc(cn3)Oc4ccc5c(c4)[C@@H](CC5)NC(=O)C	1NX	2-[[(3r)-3-acetamido-2,3-dihydro-1h-inden-5-yl]oxy]-n-[(1s)-1-cyclopropylethyl]-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide
CC1(CC=C(c2c1ccc(c2)C(=O)Nc3ccc(cc3)C(=O)O)c4ccccc4)C	1NY	4-{[(5,5-dimethyl-8-phenyl-5,6-dihydronaphthalen-2-yl)carbonyl]amino}benzoic acid
c1cc(c(c(c1)Oc2ccc3c(c2)C(=O)N=CN3Cc4c(cc(cc4F)F)F)C(F)(F)F)c5nc6c(o5)cccn6	1NZ	6-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-(trifluoromethyl)phenoxy]-1-(2,4,6-trifluorobenzyl)quinazolin-4(1h)-one
c1ccnc(c1)c2cccc(c2C(F)(F)F)Oc3ccc4c(c3)C(=O)N=CN4Cc5c(cc(cc5F)F)F	1O0	6-[3-(pyridin-2-yl)-2-(trifluoromethyl)phenoxy]-1-(2,4,6-trifluorobenzyl)quinazolin-4(1h)-one
Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(=O)O)Oc3ccc(cc3)C(=O)O	1O1	5-(4-carboxyphenoxy)-2-{[(4-methylphenyl)sulfonyl]amino}benzoic acid
CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)COC(=O)CCCCCCC/C=C\CCCCCCCC	1O2	(2s)-3-(alpha-d-galactopyranosyloxy)-2-(hexadecanoyloxy)propyl (9z)-octadec-9-enoate
c1ccc(cc1)Oc2ccc(c(c2)C(=O)O)NS(=O)(=O)c3ccc(cc3F)Br	1O3	2-{[(4-bromo-2-fluorophenyl)sulfonyl]amino}-5-phenoxybenzoic acid
c1cc2cc[n+](cc2c(c1)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O	1O4	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(8-azanylisoquinolin-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
CCOc1cc2c(cc1c3cnn(c3)C)[nH]nc2c4ccc(c(c4)S(=O)(=O)N)C	1O5	5-[5-ethoxy-6-(1-methyl-1h-pyrazol-4-yl)-1h-indazol-3-yl]-2-methylbenzenesulfonamide
CC1CCC(CC1)C(=O)N(c2ccc(cc2C(=O)O)Oc3ccccc3)C(C)C	1O6	2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}-5-phenoxybenzoic acid
CCOc1ccc2c(c1)-c3ccsc3NC2=O	1O7	8-ethoxy-4~{h}-thieno[2,3-c]isoquinolin-5-one
C/C(=C\C(=O)O)/C=C/C=C(/C)\C=C\1/CCCc2c1cccc2	1O8	(2e,4e,6z,8e)-8-(3,4-dihydronaphthalen-1(2h)-ylidene)-3,7-dimethylocta-2,4,6-trienoic acid
CC(C)C[C@]1(C[C@@H]([C@@H](N1C(=O)c2ccc(cc2)C(C)(C)C)c3nccs3)c4cnccn4)C(=O)O	1O9	(4s,5r)-1-(4-tert-butylbenzoyl)-2-(2-methylpropyl)-4-pyrazin-2-yl-5-(1,3-thiazol-2-yl)-l-proline
c1cc(ccc1NC(=O)c2cnn3c2nc(cc3O)C4CCNCC4)F	1OA	n-(4-fluorophenyl)-7-hydroxy-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
c1cc(ccc1Cc2cc(n3c(n2)c(cn3)C(=O)Nc4ccc(cc4)F)O)C#N	1OB	5-(4-cyanobenzyl)-n-(4-fluorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide
c1ccc(c(c1)c2cc3c(c[nH]c3nc2)NC(=O)c4cnn5c4nc(cc5)NC[C@H]6CCNC[C@@H]6F)F	1OC	n-[5-(2-fluorophenyl)-1h-pyrrolo[2,3-b]pyridin-3-yl]-5-({[(3r,4r)-3-fluoropiperidin-4-yl]methyl}amino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
C[C@@H]1[C@H](N=C(O1)c2cccc(c2O)O)C(=O)N(CCCNC(=O)c3cccc(c3O)O)CCCNC(=O)c4cccc(c4O)O	1OD	(4s,5r)-n,n-bis{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide
c1ccc2c(c1)cc(n2CC(=O)O)C(=O)Nc3nc(cs3)c4ccccc4Cl	1OE	2-[2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]indol-1-yl]ethanoic acid
c1c[n+](cc2c1C=CNC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O	1OF	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-3,4-bis(oxidanyl)-5-(8-oxidanylidene-7~{h}-2,7-naphthyridin-2-yl)oxolan-2-yl]methyl hydrogen phosphate
CC(=O)OC/C/1=C(/N=C\[C@H]([C@@H](S(=O)(=O)C1)C(=O)OC(C)(C)C)C=O)\C(=O)O	1OG	 7-alkylidenecephalosporin dcm-1-10, bound form 
CC(C)(c1ccccc1)c2ccc(cc2)O	1OH	4-(1-methyl-1-phenylethyl)phenol
COc1ccc2c(c1)-c3ccsc3NC2=O	1OI	8-methoxy-4~{h}-thieno[2,3-c]isoquinolin-5-one
CCOc1cc(ccc1OC(C)C)[C@H](C(=O)NS(=O)(=O)c2cccc(c2)S(=O)(=O)N)Nc3ccc4cnccc4c3	1OJ	(2r)-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-2-(isoquinolin-6-ylamino)-n-[(3-sulfamoylphenyl)sulfonyl]ethanamide
CCOc1cc(ccc1OC(C)C)[C@H](C(=O)NS(=O)(=O)c2ccccc2)Nc3ccc4c(c3)ccnc4N	1OK	(2r)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-n-(phenylsulfonyl)ethanamide
C[C@H](C[C@@H]([C@H](CC(C)C)N)O)C(=O)O	1OL	(2r,4s,5s)-5-amino-4-hydroxy-2,7-dimethyloctanoic acid
CN(C)c1ccc(cc1)C(c2ccc(cc2)N(C)C)c3ccc(cc3)O	1OM	4-{bis[4-(dimethylamino)phenyl]methyl}phenol
c1ccc2c(c1)CCC2=O	1ON	2,3-dihydro-1h-inden-1-one
c1cc(ccc1C(F)(F)F)S(=O)(=O)Nc2ccc(c(c2F)C(=O)c3c[nH]c4c3cc(cn4)Cl)F	1OO	n-{3-[(5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}-4-(trifluoromethyl)benzenesulfonamide
c1cc(ccc1C[C@@H](C(=O)O)N)OCCCCCO	1OP	o-(5-hydroxypentyl)-l-tyrosine
c1cc(nc(c1)C(F)(F)F)[C@@H](C#N)c2ccc(cc2)F	1OQ	(2s)-(4-fluorophenyl)[6-(trifluoromethyl)pyridin-2-yl]ethanenitrile
CCCN(CCC)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O	1OR	(2r,4ar,6r,7r,7as)-6-[6-(dipropylamino)-9h-purin-9-yl]tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide
[H]/N=C(\c1ccc(cc1)[C@H](N)P(=O)(O)O)/N	1OS	[(r)-amino(4-carbamimidoylphenyl)methyl]phosphonic acid
c1cnn(c1)c2ccc(cc2)[C@H](N)P(=O)(O)O	1OT	{(r)-amino[4-(1h-pyrazol-1-yl)phenyl]methyl}phosphonic acid
[H]/N=C(/N)\Nc1ccc(cc1)[C@H](N)P(=O)(O)O	1OU	[(r)-amino(4-carbamimidamidophenyl)methyl]phosphonic acid
[H]/N=C(/N)\NCCC[C@H](N)P(=O)(O)O	1OV	[(1r)-1-amino-4-carbamimidamidobutyl]phosphonic acid
c1ccc2c(c1)ncn2CC3=CC(=O)N4C=CC=CC4=N3	1OX	2-(1h-benzimidazol-1-ylmethyl)-4h-pyrido[1,2-a]pyrimidin-4-one
CC(C)(C)C[C@H]1[C@]([C@H]([C@@H](N1)C(=O)NCC[C@@H](CO)O)c2cccc(c2F)Cl)(C#N)c3ccc(cc3F)Cl	1OY	(3s,4r,5s)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-n-[(3s)-3,4-dihydroxybutyl]-5-(2,2-dimethylpropyl)-d-prolinamide
CN1c2ccccc2C(=N[C@@H](C1=O)NC(=O)c3cc4ccccc4[nH]3)c5ccccc5	1OZ	n-[(3s)-1-methyl-2-oxidanylidene-5-phenyl-3h-1,4-benzodiazepin-3-yl]-1h-indole-2-carboxamide
c1c(nnn1CCO)CN(Cc2cn(nn2)CCO)Cc3cn(nn3)CCO	1P0	2,2',2''-[nitrilotris(methanediyl-1h-1,2,3-triazole-4,1-diyl)]triethanol
Cn1cc2cc1C(=O)NCC[C@H](C(=O)Nc3cn(c(n3)C(=O)Nc4cn(c(n4)C(=O)Nc5cc(n(c5)C)C(=O)Nc6cc(n(c6)C)C(=O)NCC[C@H](C(=O)Nc7cn(c(n7)C(=O)Nc8cn(c(n8)C(=O)Nc9cc(n(c9)C)C(=O)N2)C)C)N)C)C)N	1P1	(22r,51r)-22,51-diamino-5,11,17,28,34,40,46,57-octamethyl-2,5,8,11,14,17,20,25,28,31,34,37,40,43,46,49,54,57,60,61,64,6 5-docosaazanonacyclo[54.2.1.1~4,7~.1~10,13~.1~16,19~.1~27,30~.1~33,36~.1~39,42~.1~45,48~]hexahexaconta-1(58),4(66),6,10( 65),12,16(64),18,27(63),29,33(62),35,39(61),41,45(60),47,56(59)-hexadecaene-3,9,15,21,26,32,38,44,50,55-decone
Cn1cc2cc1C(=O)NC[C@@H](CC(=O)Nc3cn(c(n3)C(=O)Nc4cc(n(c4)C)C(=O)Nc5cc(n(c5)C)C(=O)Nc6cc(n(c6)C)C(=O)NC[C@@H](CC(=O)Nc7cn(c(n7)C(=O)Nc8cc(n(c8)C)C(=O)Nc9cc(n(c9)C)C(=O)N2)C)N)C)N	1P2	(23r,52r)-23,52-diamino-5,11,17,28,34,40,46,57-octamethyl-2,5,8,11,14,17,20,25,28,31,34,37,40,43,46,49,54,57,60,64-icosaazanonacyclo[54.2.1.1~4,7~.1~10,13~.1~16,19~.1~27,30~.1~33,36~.1~39,42~.1~45,48~]hexahexaconta-1(58),4(66),6,10(65),12,16(64),18,27(63),29,33(62),35,39(61),41,45(60),47,56(59)-hexadecaene-3,9,15,21,26,32,38,44,50,55-decone
C[C@@H]1CCCN(C1)C(=O)C	1P3	(3r)-1-acetyl-3-methylpiperidine
c1c(nnn1CCCO)CN(Cc2cn(nn2)CCCO)Cc3cn(nn3)CCCO	1P4	3,3',3''-[nitrilotris(methanediyl-1h-1,2,3-triazole-4,1-diyl)]tripropan-1-ol
CCN(CC)C(=O)[C@H]1CCC[N@@](C1)c2cc(ncn2)c3c(nn4c3nccc4)N	1P5	(3s)-1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]-n,n-diethylpiperidine-3-carboxamide
C[C@@H](c1ccc(cc1)F)Nc2cc(ncn2)c3c(nn4c3nccc4)N	1P6	3-(6-{[(1s)-1-(4-fluorophenyl)ethyl]amino}pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
c1cc2c(cc1Cl)C(=O)NC2	1P7	6-chloro-2,3-dihydro-1h-isoindol-1-one
c1cc2c(cc1Br)NC(=O)C2	1P8	6-bromo-1,3-dihydro-2h-indol-2-one
CCC[C@@H](CC(=O)O)N1c2ccccc2N(C1=O)Cc3cc(cc4c3CC(=O)N4)Br	1P9	(3s)-3-{3-[(6-bromo-2-oxo-2,3-dihydro-1h-indol-4-yl)methyl]-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl}hexanoic acid
c1cc(ccc1C[C@@H](C(=O)O)N)CC(=O)O	1PA	4-(carboxymethyl)-l-phenylalanine
c1ccc(cc1)CC\C=C\c2ccccc2	1PB	1,4-diphenyl-2-butene
c1ccc(cc1)C2(CCCCC2)N3CCCCC3	1PC	1-(phenyl-1-cyclohexyl)piperidine
CC(C)CCN1C(=O)C(=C(C(=N1)c2cncs2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)OCC(=O)N	1PD	2-({3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-(1,3-thiazol-5-yl)-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2h-1,2,4-benzothia diazin-7-yl}oxy)acetamide
C(COCCOCCOCCOCCO)O	1PE	pentaethylene glycol
CN1CCC(CC1)Oc2ccc(cc2)c3c4c(cccc4OCC5CCCCC5)n[nH]3	1PF	4-(cyclohexylmethoxy)-3-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}-2h-indazole
COCCOCCOCCOCCOCCO	1PG	2-(2-{2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethanol
c1ccc(cc1)CC(=O)Nc2ccc3c(c2)c([nH]n3)c4cccc(c4)S(=O)(=O)N	1PH	2-phenyl-n-[3-(3-sulfamoylphenyl)-2h-indazol-5-yl]acetamide
[H]/N=C(/N)\N1CCC[C@@H](C1)C[C@@H](C=O)N	1PI	(3r)-3-[(2s)-2-amino-3-oxopropyl]piperidine-1-carboximidamide
COc1ccc(cc1)C2(CC2)C(=O)O	1PJ	1-(4-methoxyphenyl)cyclopropanecarboxylic acid
c1cc2cccc3c2c(c1)NC(=N3)N	1PK	1h-perimidin-2-amine
C[C@H]1CC[C@H]2[C@@]13CC(C[C@@H]3C=C2C(=O)O)(C)C	1PL	(1s,3as,5ar,8as)-1,7,7-trimethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carboxylic acid
COC(=O)N1CCN([C@H](C1)CC(=O)NCc2ccc3c(c2)OCO3)c4ccnc(n4)n5ccnc5	1PM	methyl (3s)-3-{2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethyl}-4-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate
C[C@H]([C@@H](C=O)[C@H]1NC(=CS1)C(=O)OCC=C)OC(=O)C	1PN	prop-2-en-1-yl (2s)-2-[(2s,3r)-3-(acetyloxy)-1-oxobutan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylate
C[C@H]1CO[C@@H](O[C@@H]1[C@@H](C)[C@H]([C@@H](C)/C=C/C(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC)c2ccc(cc2)OC	1PO	n-{(1e,4r,5r,7e,9s,10s,11s)-4,10-dimethoxy-11-[(2s,4s,5s)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-5,9-dimethyl-6-oxododeca-1,7-dien-1-yl}-n-methylformamide
CC(C)(C)c1cc(n(n1)c2ccccc2)NC(=O)Nc3cccc(c3Cl)Cl	1PP	1-(3-tert-butyl-1-phenyl-1h-pyrazol-5-yl)-3-(2,3-dichlorophenyl)urea
C[C@@H](CCCN)Nc1cc(cc2c1nccc2)OC	1PQ	(4s)-n~4~-(6-methoxyquinolin-8-yl)pentane-1,4-diamine
c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NCNCC([C@@H]([C@@H](COP(=O)(O)O)O)O)O)C(=O)N	1PR	phosphoric acid mono-[5-({[5-carbamoyl-3-(5-phosphonooxy-5-deoxy-ribofuranosyl)- 3h-imidazol-4-ylamino]-methyl}-amino)-2,3,4-trihydroxy-pentyl] ester
c1cc[n+](cc1)CCCS(=O)(=O)[O-]	1PS	3-pyridinium-1-ylpropane-1-sulfonate
C1CC[C@@H]2[C@@H](C1)[NH2][Pt+2][NH2]2	1PT	cyclohexane-1(r),2(r)-diamine-platinum(ii)
c1ccnc(c1)NC(=O)Nc2cccc3c2[C@H]4CCCN4C3=O	1PU	1-(5-oxo-2,3,5,9b-tetrahydro-1h-pyrrolo[2,1-a]isoindol-9-yl)-3-pyridin-2-yl-urea
B(c1ccc(cc1F)CN(c2cc3c(cc2C4CC4)c(c(o3)c5ccc(cc5)F)C(=O)NC)S(=O)(=O)C)(O)O	1PV	[4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid
CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)C)O	1PW	(2s,3r,4e)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate
CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O	1PX	(2s,3r,4e)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate
c1ccc(cc1)CC(=O)C(=O)O	1PY	2-oxo-3-phenylpropionic acid
CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)CCCCCCCCCCC)O	1PZ	(2s,3r,4e)-2-(dodecanoylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate
CCCCCCCCCCCCCC=CC([C@H](COP(=O)(O)O)NC(=O)CCCCCCCC=CCCCCCCCC)O	1Q0	(2s,3r,4z)-3-hydroxy-2-[(9e)-octadec-9-enoylamino]octadec-4-en-1-yl dihydrogen phosphate
CC(=O)C[C@@H]1CC(=NO1)c2ccc(c(c2)F)O	1Q1	1-[(5s)-3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propan-2-one
[H]/N=C(/C[C@H](CC(=O)C)O)\c1ccc(c(c1)F)O	1Q2	(4r,6z)-6-(3-fluoro-4-hydroxyphenyl)-4-hydroxy-6-iminohexan-2-one
c1c(cn[nH]1)c2nc3c(c(n2)N[C@H]4CCC[C@H]4C#N)CC=NC3=O	1Q3	(1r,2s)-2-{[8-oxo-2-(1h-pyrazol-4-yl)-5,8-dihydropyrido[3,4-d]pyrimidin-4-yl]amino}cyclopentanecarbonitrile
c1nc2c(c(n1)NC3CCCCC3)C=CNC2=O	1Q4	4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-8(7h)-one
CCC(CC)Nc1cc(nc(c1C)Oc2c(cc(cc2C)C)C)C	1Q5	3,6-dimethyl-n-(pentan-3-yl)-2-(2,4,6-trimethylphenoxy)pyridin-4-amine
Cc1cc(nc(c1)N)COC[C@H](CN)OCc2cc(cc(n2)N)C	1Q6	6,6'-{[(2s)-3-aminopropane-1,2-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine)
Cc1cc(nc(c1)N)COC[C@@H](CN)OCc2cc(cc(n2)N)C	1Q7	6,6'-{[(2r)-3-aminopropane-1,2-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine)
c1ccc(cc1)C(=O)NCO	1Q8	n-(hydroxymethyl)benzamide
CCOc1c(cc(cc1CNc2[nH]nnn2)C)C	1Q9	n-(2-ethoxy-3,5-dimethylbenzyl)-1h-tetrazol-5-amine
c1ccc(cc1)[C@@H](C(=O)O)NC(=O)Cc2csc(n2)c3c(cc(cn3)C#N)O	1QA	(2s)-({[2-(5-cyano-3-hydroxypyridin-2-yl)-1,3-thiazol-4-yl]acetyl}amino)(phenyl)ethanoic acid
CC(=O)NC1=CCC2=C(C1)CC=C2	1QB	n-(4,7-dihydro-1h-inden-6-yl)acetamide
CCCc1c(nc(s1)c2ccc(c(c2)OCCNS(=O)(=O)C)OC)CSc3nc(cc(n3)N)N	1QC	n-{2-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide
c1cc2c[n+](ccc2c(c1)I)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O	1QD	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(5-iodanylisoquinolin-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
[H]/N=C(\Nc1cc(ccc1)CCc2cc(ccc2)N/C(=N/[H])/c3sccc3)/c4sccc4	1QE	n,n'-(ethane-1,2-diyldibenzene-3,1-diyl)dithiophene-2-carboximidamide
[H]/N=C(\c1cccs1)/Nc2ccc(cc2)CCN(CC)Cc3cccc(c3)N/C(=N/[H])/c4cccs4	1QF	n-(4-{2-[ethyl(3-{[(e)-imino(thiophen-2-yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide
Cn1cc(c(n1)c2ccc(cc2)F)c3ccnc(c3)[C@H]4COCCN4	1QG	(3s)-3-{4-[3-(4-fluorophenyl)-1-methyl-1h-pyrazol-4-yl]pyridin-2-yl}morpholine
CC(C)[C@@H]([C@H](C[C@@H](Cc1ccccc1)C(=O)O)O)N	1QI	(2r,4s,5s)-5-azanyl-6-methyl-4-oxidanyl-2-(phenylmethyl)heptanoic acid
c1cc(ccc1c2c(c[nH]n2)c3ccnc(c3)CO)F	1QJ	{4-[3-(4-fluorophenyl)-1h-pyrazol-4-yl]pyridin-2-yl}methanol
CCc1cnn2c1nc(cc2NCc3ccc[n+](c3)O)N4CCCC[C@H]4CCO	1QK	3-[({3-ethyl-5-[(2s)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium
CO[C@@](C=O)([C@@H]1NC(=C(CS1)COC(=O)N)C(=O)O)NC(=O)Cc2cccs2	1QL	(2r)-5-[(carbamoyloxy)methyl]-2-{(1s)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
Cn1cc(c(n1)c2ccc(cc2)F)c3ccnc4c3OCCNC4	1QM	9-[3-(4-fluorophenyl)-1-methyl-1h-pyrazol-4-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine
CNCc1cc(ccn1)c2cn(nc2c3ccc(cc3)F)C	1QN	1-{4-[3-(4-fluorophenyl)-1-methyl-1h-pyrazol-4-yl]pyridin-2-yl}-n-methylmethanamine
c1ccc(cc1)CNc2nccc(n2)c3cccnc3	1QO	n-benzyl-4-(pyridin-3-yl)pyrimidin-2-amine
CCOC(=O)c1cnn2c1cccc2	1QP	ethyl pyrazolo[1,5-a]pyridine-3-carboxylate
CC[C@H](C)C(=O)C(=O)O	1QQ	(3s)-3-methyl-2-oxopentanoic acid
c1cc(ccc1CNC(=O)c2cc3cnccc3[nH]2)S(=O)(=O)N4CCCCC4	1QR	n-[4-(piperidin-1-ylsulfonyl)benzyl]-1h-pyrrolo[3,2-c]pyridine-2-carboxamide
c1cc(ccc1CNC(=O)c2ccc3nccn3c2)S(=O)(=O)c4cc(cc(c4)F)F	1QS	n-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-6-carboxamide
CCc1ccc2c(c1)[C@H](CC3(O2)CCC3)NC[C@H]([C@@H]4Cc5cccc(c5)CCCCCCCC(=O)N4)O	1QT	(3s)-3-[(1r)-2-{[(4s)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-4-azabicyclo[11.3.1]heptadeca-1(17),13,15-trien-5-one
c1ccc(cc1)C[C@@H]([C@@H](CNCc2cccc(c2)C(F)(F)F)O)NC(=O)C3=CN(C(=O)C(=C3)N4CCCC4=O)C5CCCC5	1QU	1-cyclopentyl-n-[(2s,3r)-3-hydroxy-1-phenyl-4-{[3-(trifluoromethyl)benzyl]amino}butan-2-yl]-6-oxo-5-(2-oxopyrrolidin-1-yl)-1,6-dihydropyridine-3-carboxamide
c12c(c(c(c(c1sc(n2)S(=O)(=O)N)F)F)F)F	1QV	4,5,6,7-tetrafluoro-1,3-benzothiazole-2-sulfonamide
CCCCCCCCCCCC(=O)OC[C@@H](CO)O	1QW	(2r)-2,3-dihydroxypropyl dodecanoate
CCCCCCCCCCCCOP(=O)(CCCN=[N+]=[N-])O	1QX	dodecyl hydrogen (s)-(3-azidopropyl)phosphonate
CCCCCCCCCCCCCCO[P@@](=O)(CCCN=[N+]=[N-])O	1QY	tetradecyl hydrogen (r)-(3-azidopropyl)phosphonate
CCc1c(c(nc(n1)N)N)C#C[C@@H](C)c2cc(cc(c2)OC)c3cccc4c3ccnc4	1QZ	6-ethyl-5-{(3s)-3-[3-(isoquinolin-5-yl)-5-methoxyphenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine
CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3cccc4c3ccnc4	1R0	6-ethyl-5-{3-[3-(isoquinolin-5-yl)-5-methoxyphenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine
CCCCCCCCCCCCCCCCOP(=O)(CCCN=[N+]=[N-])O	1R1	hexadecyl hydrogen (r)-(3-azidopropyl)phosphonate
c1cc(cc(c1)Oc2cc(cc(c2)O)C(=O)O)[N+](=O)[O-]	1R2	3-hydroxy-5-(3-nitrophenoxy)benzoic acid
CCCCCCCCCS(CCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O)(O)O	1R3	n-{3-[dihydroxy(nonyl)-lambda~4~-sulfanyl]propyl}-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
c1cc(ccc1C(=O)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-]	1R4	l-gamma-glutamyl-s-[2-(4-nitrophenyl)-2-oxoethyl]-l-cysteinylglycine
c1cc(ccc1c2ccc3c(c2)NC(=O)C(=C3)O)F	1R5	7-(4-fluorophenyl)-3-hydroxyquinolin-2(1h)-one
CCc1ccc2c(c1)[C@H](CC3(O2)CCC3)NC[C@H]([C@@H]4Cc5cccc(c5)CCCCN6C=C(C=CC6=O)C(=O)N4)O	1R6	(12s)-12-[(1r)-2-{[(4s)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-1,13-diazatricyclo[13.3.1.1~6,10~]icosa-6(20),7,9,15(19),16-pentaene-14,18-dione
c1cc(ccc1CNC(=O)n2cc3ccncc3c2)S(=O)(=O)C4CCN(CC4)C5CCOCC5	1R7	n-(4-{[1-(tetrahydro-2h-pyran-4-yl)piperidin-4-yl]sulfonyl}benzyl)-2h-pyrrolo[3,4-c]pyridine-2-carboxamide
CCc1ccc2c(c1)[C@H](CC3(O2)CCC3)NC[C@H]([C@@H]4Cc5cccc(c5)CCCCCCC(=O)N4)O	1R8	(3s)-3-[(1r)-2-{[(4s)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-4-azabicyclo[10.3.1]hexadeca-1(16),12,14-trien-5-one
Cc1ccc(cc1NC(=O)c2cnc(s2)c3ccccc3Cl)C(=O)NC4CC4	1R9	2-(2-chlorophenyl)-n-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1,3-thiazole-5-carboxamide
CCOC(=O)n1ccc2c1cc(cc2)C(=O)Nc3cc(ccc3C)C(=O)NC4CC4	1RA	ethyl 6-{[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl}-1h-indole-1-carboxylate
c1ccc2c(c1)ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	1RB	1-alpha-d-ribofuranosyl-benzimiazole-5'-phosphate
CCNC(=O)[C@H]1c2ccccc2CN1C(=O)c3cc(c(cc3O)O)Cl	1RC	(1r)-2-[(5-chloro-2,4-dihydroxyphenyl)carbonyl]-n-ethyl-2,3-dihydro-1h-isoindole-1-carboxamide
CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)NCCCCNC(=O)OCc2cncs2	1RD	n~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-n-(4-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}butyl)-l-valinamide
CC(C)CCOc1cc(ccc1C#N)Nc2nc(nc(n2)OCCN3CCOCC3)OC	1RE	4-({4-methoxy-6-[2-(morpholin-4-yl)ethoxy]-1,3,5-triazin-2-yl}amino)-2-(3-methylbutoxy)benzonitrile
C(COCCO[V](O)(O)(O)O)O	1RF	vanadium(5+) hydroxide 2-(2-hydroxyethoxy)ethanolate (1:4:1)
C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O)C(=O)O)[C@H](C=O)[C@@H](C)O	1RG	(4r,5s)-3-({(3s,5s)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1s,2r)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1h-pyrrole-2-carboxylic acid
C[C@@H](C(=O)N[C@H]1CN(c2ccccc2N(C1=O)Cc3c4ccccc4ccc3OC)C(=O)c5ccc(cc5)N)NC	1RH	n-{(3s)-5-(4-aminobenzoyl)-1-[(2-methoxynaphthalen-1-yl)methyl]-2-oxo-2,3,4,5-tetrahydro-1h-1,5-benzodiazepin-3-yl}-n~2~-methyl-l-alaninamide
c1ccc(cc1)Oc2cccc(c2)C(=O)N/N=C/c3ccc(o3)Sc4ncccn4	1RI	3-phenoxy-~{n}-[(~{e})-(5-pyrimidin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide
CNC[C@H](c1cccc(c1)F)Nc2c3cccc(c3ncn2)C(=O)N	1RJ	4-{[(1s)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino}quinazoline-8-carboxamide
C[C@@H](C(=O)N[C@@H]1C(=O)N(c2ccccc2OC13CCOCC3)Cc4c5ccc(cc5ccc4OC)C(=O)O)NC	1RK	6-methoxy-5-({(3s)-3-[(n-methyl-l-alanyl)amino]-4-oxo-2',3,3',4,5',6'-hexahydro-5h-spiro[1,5-benzoxazepine-2,4'-pyran]-5-yl}methyl)naphthalene-2-carboxylic acid
CCN(CC)CCOc1cccc2c1N=C3c4c5c(c(c6c4C(=O)[C@](O6)(O/C=C/C([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](C=CC=C(C(=O)NC(=C3O2)C5=O)C)C)O)C)O)C)OC(=O)C)C)OC)C)C)O	1RL	benzoxazinorifamycin-2b
Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](C=CC=C(C(=O)NC(=C5C3=Nc6c(cccc6OCCCCN7CCN(CC7)CCn8ccnc8)O5)C2=O)C)C)O)C)O)C)OC(=O)C)C)OC)C)O	1RM	benzoxazinorifamycin-2c
C1=C(C(=O)NC(=S)N1[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)/C=N/CC(=O)O	1RN	(e)-n-{[4-oxo-1-(5-o-phosphono-beta-d-arabinofuranosyl)-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl]methylidene}glycine
c1cc2cc(ccc2nc1)/C=C/3\C(=O)N=C(S3)NCc4cccs4	1RO	(5e)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5h)-one
C1=C(N=C(C(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N)F	1RP	6-fluoro-3-oxo-4-(5-o-phosphono-beta-d-ribofuranosyl)-3,4-dihydropyrazine-2-carboxamide
c1ccc2cc(ccc2c1)c3nc4ccc(cc4n3c5ccnc(n5)N[C@@H]6CCCN(C6)C(=O)C7CC7)O	1RQ	cyclopropyl[(3r)-3-({4-[6-hydroxy-2-(naphthalen-2-yl)-1h-benzimidazol-1-yl]pyrimidin-2-yl}amino)piperidin-1-yl]methanone
CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)O)Oc3cc(nc4c3ccc(c4)OC)c5ccccc5)NC(=O)NC(C)(C)C	1RR	n-(tert-butylcarbamoyl)-3-methyl-l-valyl-(4r)-n-[(1r,2s)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-l-prolinamide
c1c[nH]c2c1c3c(cn2)ncn3C4CCNCC4	1RS	1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine
C1=C(C(=NC(=O)N1)N)C(=O)O	1RT	4-amino-2-oxo-1,2-dihydropyrimidine-5-carboxylic acid
C[C@H](c1c(ccc(c1Cl)F)Cl)Oc2c3c(cnc2N)c(co3)c4cnn(c4)C5CCNCC5	1RU	7-[(1r)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-[1-(piperidin-4-yl)-1h-pyrazol-4-yl]furo[3,2-c]pyridin-6-amine
c1csc(c1C(=O)N)NC(=O)CSc2[nH]ncn2	1RV	2-{[(1h-1,2,4-triazol-5-ylsulfanyl)acetyl]amino}thiophene-3-carboxamide
C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=C(C(=NC2=O)N)F	1RY	[[(2r,5s)-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N	1RZ	lamivudine triphosphate
C1[C@H]([C@@H](O[C@@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	1S0	4-amino-1-{2-deoxy-5-o-[(r)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-l-erythro-pentofuranosyl}pyrimidin-2(1h)-one
CCC(CC)(C#N)Nc1nc(nc(n1)n2cncn2)NC	1S1	2-ethyl-2-{[4-(methylamino)-6-(1h-1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino}butanenitrile
Cc1c(c(nn1C)c2cc(nc(n2)N)Cl)Cc3ccccc3	1S2	4-chloranyl-6-[1,5-dimethyl-4-(phenylmethyl)pyrazol-3-yl]pyrimidin-2-amine
C([C@@H]1[C@H]([C@@H]([C@@H]2[C@H](O1)OP(=O)(O2)O)O)O)O	1S3	(2r,3ar,5r,6s,7s,7ar)-5-(hydroxymethyl)tetrahydro-3ah-[1,3,2]dioxaphospholo[4,5-b]pyran-2,6,7-triol 2-oxide
C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)N	1S4	alpha-muramic acid
CCCCCCC1=CC(=O)C(=CN1C)Oc2ccc(cc2C)N	1S5	5-(4-amino-2-methylphenoxy)-2-hexyl-4-hydroxy-1-methylpyridinium
Cc1c(c(no1)c2ccccc2)C(=O)N[C@H](C=O)[C@@H]3N[C@H](C(S3)(C)C)C(=O)O	1S6	(2r,4s)-5,5-dimethyl-2-[(1r)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb oxylic acid
CO[C@@](C=O)([C@@H]1N=C(C(=C)CS1)C(=O)O)NC(=O)Cc2cccs2	1S7	(2r)-2-{(1s)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-methylidene-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
COc1cc2c(cc1O)nc(nc2Nc3ccc(cc3)NC(=O)c4ccccc4)Cc5ccccc5	1S8	n-{4-[(2-benzyl-7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl}benzamide
COc1cc2c(cc1OCC(=O)O)ncnc2Nc3ccc(cc3)NC(=O)c4ccccc4	1S9	[(4-{[4-(benzoylamino)phenyl]amino}-6-methoxyquinazolin-7-yl)oxy]acetic acid
c1(nnc(s1)S(=O)(=O)N)N	1SA	5-amino-1,3,4-thiadiazole-2-sulfonamide
COc1cccc(c1)CC(=O)N/N=C/c2ccc(cc2)O	1SB	n'-[(1e)-(4-hydroxyphenyl)methylidene]-2-(3-methoxyphenyl)acetohydrazide
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)S)O)O	1SC	5'-o-thiophosphonocytidine
C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)S(=O)(=O)N)O)O)O)O	1SD	(1s)-1,5-anhydro-1-sulfamoyl-d-galactitol
c1ccnc(c1)C(=O)Nc2ccc(cc2)NC(=O)c3ccc(c(c3)[N+](=O)[O-])O	1SE	n-{4-[(4-hydroxy-3-nitrobenzoyl)amino]phenyl}pyridine-2-carboxamide
c1cc(cc(c1)[N+](=O)[O-])N2CCC(=O)NC2=O	1SF	1-(3-nitrophenyl)dihydropyrimidine-2,4(1h,3h)-dione
COc1cc(cc(c1)C(=O)Nc2ccc(cc2)NC(=O)c3ccccn3)C4=CNC(=O)NC4=O	1SG	n-(4-{[3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-methoxybenzoyl]amino}phenyl)pyridine-2-carboxamide
CNCCOP(=O)(O)O	1SH	2-(methylamino)ethyl dihydrogen phosphate
c1ccnc(c1)Sc2ccc(o2)/C=N/NC(=O)c3cccc(c3)F	1SI	3-fluoranyl-~{n}-[(~{e})-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide
[H]/N=C(\N)/N[C@H]1C=C(C[C@H]([C@@H]1NC(=O)C)OC(CC)CC)C(=O)O	1SJ	(3s,4r,5r)-4-(acetylamino)-3-carbamimidamido-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
c1cc2c(c(c1)C(=O)N)ncnc2N[C@H](CN3CCC3)c4ccc(c(c4)C(F)(F)F)Cl	1SK	4-({(1s)-2-(azetidin-1-yl)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl}amino)quinazoline-8-carboxamide
CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(=O)C)n2cc(nn2)CCCO)C(=O)O	1SL	(3s,4r,5r)-4-(acetylamino)-3-[4-(3-hydroxypropyl)-1h-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
Cc1cc(nc(n1)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)C	1SM	methyl 2-[({[(4,6-dimethylpyrimidin-2-yl)amino]carbonyl}amino)sulfonyl]benzoate
CC[C@H](c1cn(nn1)[C@H]2C=C(C[C@H]([C@@H]2NC(=O)C)OC(CC)CC)C(=O)O)O	1SN	(3s,4r,5r)-4-(acetylamino)-3-{4-[(1r)-1-hydroxypropyl]-1h-1,2,3-triazol-1-yl}-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(=O)C)n2cc(nn2)C(C)(C)O)C(=O)O	1SO	(3s,4r,5r)-4-(acetylamino)-3-[4-(2-hydroxypropan-2-yl)-1h-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
CCC[C@@H](CO)O	1SP	(2s)-pentane-1,2-diol
c1ccc2c(c1)ccnc2N	1SQ	isoquinolin-1-amine
CC(=C)[C@H]1CC[C@]2(CCC[NH+]([C@@H]2C1)C)C	1SS	(1r,4as,7s,8ar)-1,4a-dimethyl-7-(prop-1-en-2-yl)decahydroquinolinium
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccc(cc4c5c3c6n2c7ccccc7c6c8c5C(=O)N=C8)O)NC)OC	1ST	(5s,6r,7r,9r)-12-hydroxy-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9-tetrahydro-5h,14h-5,9-epoxy-4b,9a,15-triazadibenzo[ b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one
c1cc(cc(c1)C(F)(F)F)CC(=O)Nc2cc(ccc2F)Oc3ccc4c(c3C#N)sc(n4)NC(=O)C5CC5	1SU	n-{7-cyano-6-[4-fluoro-3-({[3-(trifluoromethyl)phenyl]acetyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide
CC(=C)[C@H]1CC[C@]2(CCC[NH+]=C2C1)C	1SV	(4as,7s)-4a-methyl-7-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydroquinolinium
c1cc(cc(c1)NC(=O)Nc2cc(ccc2F)Oc3ccc4c(c3C#N)sc(n4)NC(=O)C5CC5)C(F)(F)F	1SW	n-{7-cyano-6-[4-fluoro-3-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide
CC(C)(C)c1ccc(cc1)C(=O)Nc2nnc3n2CCS3	1SX	4-tert-butyl-n-(5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)benzamide
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H]([C@@H](COP(=O)(O4)O)O[C@H]5n6cnc7c6NC(=NC7=O)N)O)O)O)N	1SY	cgamp
Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cn(c(n3)C(=O)Nc4cc(n(c4)C)C(=O)NCCCC(=O)Nc5cc(n(c5)C)C(=O)Nc6cc(n(c6)C)C(=O)Nc7cc(n(c7)C)C(=O)Nc8cc(n(c8)C)C(=O)NCCC(=O)NCCCN(C)C)C	1SZ	n-[5-[[4-[[5-[[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]amino]-4-oxidanylidene-butyl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-4-[[1-methyl-4-[(1-methylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]imidazole-2-carboxamide
Cc1cc(cc(n1)C(=O)NCc2cc(cc(c2)F)c3cnn(c3)C)N4CC[C@](C4=O)(C#N)C5(CC5)C	1T0	4-[(3r)-3-cyano-3-(1-methylcyclopropyl)-2-oxidanylidene-pyrrolidin-1-yl]-n-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide
CCCCCCCCCCCCCCCCCC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	1T1	stearoyl adenylate
CC(=O)Nc1ccc2ccc3cccc4c3c2c1cc4	1T4	n-(pyren-1-yl)acetamide
[H]/N=C(/c1ccc2c(c1)[C@@](C[C@H](N2)c3cc(cc(c3)NC(=O)CC(C)C)c4ccc(cc4C(=O)O)C(=O)N)(C)c5ccccc5)\N	1T5	3'-[(2s,4r)-6-carbamimidoyl-4-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]-4-carbamoyl-5'-[(3-methylbutanoyl)amino]biphenyl-2-carboxylic acid
[H]/N=C(/c1ccc2c(c1)[C@@](C[C@H](N2)c3cccc(c3)c4ccc(cc4C(=O)O)C(=O)N)(C)c5ccccc5)\N	1T6	5-aminocarbonyl-2-[3-[(2s,4r)-6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1h-quinolin-2-yl]phenyl]benzoic acid
[H]/N=C(\c1ccc2c(c1)[C@H](C[C@H](N2)c3cc(cc(c3)N)c4ccccc4C(=O)O)c5ccccc5)/N	1T7	3'-amino-5'-[(2s,4r)-6-carbamimidoyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]biphenyl-2-carboxylic acid
CC(C)[C@H]1C(=O)NC/C=C\Cc2ccc(cc2)C[C@@](C(=O)N1)(CCCN(Cc3ccc(cc3)c4cccnc4)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O	1T8	methyl [(2s)-1-(2-{3-[(3r,6s,10z)-3-hydroxy-4,7-dioxo-6-(propan-2-yl)-5,8-diazabicyclo[11.2.2]heptadeca-1(15),10,13,16-tetraen-3-yl]propyl}-2-[4-(pyridin-3-yl)benzyl]hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)CCCCCCC)O	1T9	(2s,3r,4e)-3-hydroxy-2-(octanoylamino)octadec-4-en-1-yl dihydrogen phosphate
C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)CCC5=CC(=O)C=C[C@@]53C)F)O	1TA	triamcinolone acetonide
Cc1nc(nc(n1)OC)N(C)C(=O)NS(=O)(=O)c2ccccc2C(=O)OC	1TB	methyl 2-[4-methoxy-6-methyl-1,3,5-trazin-2-yl(methyl)carbamoylsulfamoyl]benzoate
Cc1ncc(o1)C(=O)Nc2ccc(c(c2)Cl)C(=O)NCC3(CCOCC3)c4ccc(cc4)OC	1TC	n-[3-chloranyl-4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]-2-methyl-1,3-oxazole-5-carboxamide
c1ccc2c(c1)/C(=C\c3cccc(c3)C(=O)O)/C(=O)N2	1TD	3-[(e)-(2-oxidanylidene-1h-indol-3-ylidene)methyl]benzoic acid
C[C@@H]1[C@@H]2[C@H](C(=O)N2[C@H]([C@@H]1SC3CN(C3)c4nccs4)C(=O)O)[C@@H](C)O	1TE	tebipenem
CCCCCCCCCCCCCCCC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	1TF	palmitoyl adenylate
c1ccc(cc1)C2=NNC(=S)N2CCSCc3ccc(cc3)F	1TH	4-[2-[(4-fluorophenyl)methylsulfanyl]ethyl]-3-phenyl-1h-1,2,4-triazole-5-thione
Cc1cc(cc(n1)C(=O)NCc2cc(cc(c2)F)c3cnn(c3)C)N4CC[C@@](C4=O)(C#N)C5(CC5)C	1TI	4-[(3s)-3-cyano-3-(1-methylcyclopropyl)-2-oxidanylidene-pyrrolidin-1-yl]-n-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide
Cc1cc2c(c(c1)O)C3=C(C(=O)C2)C(=O)c4c(cccc4O)C3=O	1TJ	1,8-dihydroxy-3-methyltetraphene-6,7,12(5h)-trione
C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)F	1TK	4-amino-1-{2-deoxy-2-fluoro-5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-arabinofuranosyl}pyrimidin-2(1h)-one
C[C@H]1[C@]2([C@H]([C@@H](O1)[C@@H](O2)N3C=CC(=O)NC3=O)O)COP(=O)(O)O	1TL	1-{2,5-anhydro-6-deoxy-4-[(phosphonooxy)methyl]-alpha-l-mannofuranosyl}pyrimidine-2,4(1h,3h)-dione
c1cc(ccc1c2c([nH]nc2N)c3ccc(cc3)O)O	1TM	4,4'-(3-amino-1h-pyrazole-4,5-diyl)diphenol
CCCCCCc1ccc(c(c1)O)Oc2ccccc2[N+](=O)[O-]	1TN	5-hexyl-2-(2-nitrophenoxy)phenol
Cc1ncc(c(n1)N)C[N@@]2C([C@@H](S[C@@H]2[C@](C)(C(=O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O)C	1TP	1-(2-{(2s,4r,5r)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(1s)-1-carboxy-1-hydroxyethyl]-4-methyl-1,3-thiazolidin-5-yl}ethoxy)-1,1,3,3-tetrahydroxy-1lambda~5~-diphosphox-1-en-2-ium 3-oxide
c1cc(c(c2c1c(c[nH]2)C[C@@H](C(=O)O)N)O)NC=O	1TQ	6-(formylamino)-7-hydroxy-l-tryptophan
CN(C)Cc1ccn2c(c1)nc(c2c3ccnc(n3)N)c4ccc(cc4)F	1TR	4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)NCc3ccc(cc3)C#N)NS(=O)(=O)c4ccc(c(c4)Cl)OC)\N	1TS	(2s)-n-[(4-carbamimidoylphenyl)methyl]-1-[(2s)-2-[(3-chloro-4-methoxybenzene)sulfonamido]-3-{[(4-cyanophenyl)methyl]carbamoyl}propanoyl]pyrrolidine-2-carboxamide
C[C@@H]1COCCN1C2=NC3N(CC[C@H](N3Cc4cc(cnc4)Cl)C(F)(F)F)C(=O)C2	1TT	(8s)-9-[(5-chloranylpyridin-3-yl)methyl]-2-[(3r)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-6,7,8,9a-tetrahydro-3h-pyrimido[1,2-a]pyrimidin-4-one
Cc1nc(c(n1C)O)Cc2cc(c(c(c2)F)O)F	1TU	4-(3,5-difluoro-4-hydroxybenzyl)-1,2-dimethyl-1h-imidazol-5-ol
C[Se][C@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)O)O	1TW	2-amino-9-(2-se-methyl-5-o-phosphono-2-seleno-beta-d-arabinofuranosyl)-1,9-dihydro-6h-purin-6-one
COC(=O)CCCC[C@@H](C(=O)O)N	1TX	(2s)-2-amino-7-methoxy-7-oxoheptanoic acid
c1ccc(cc1)CC/N=C/2\C=C(C(=O)C=C2O)C[C@@H](C(=O)O)N	1TY	3-{(3e)-4-hydroxy-6-oxo-3-[(2-phenylethyl)imino]cyclohexa-1,4-dien-1-yl}alanine
Cc1cc(c(c(c1)C)/C=N/NC(=O)[C@H](Cc2c[nH]c3c2cccc3)N)C	1TZ	(2s)-2-azanyl-3-(3h-indol-3-yl)-n-[(e)-(2,4,6-trimethylphenyl)methylideneamino]propanamide
Cc1c(sc(c1Cc2cnc(nc2N)C)[C@@H](CO)O)CCOP(=O)(O)OP(=O)(O)O	1U0	2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1r)-1,2-dihydroxyethyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate
c1c(c(sc1Cl)C(=O)O)S(=O)(=O)N	1U1	5-chloro-3-sulfamoylthiophene-2-carboxylic acid
[H]/N=C(/c1ccc2cc(ccc2c1)NC(=O)Nc3ccccc3)\N	1U2	6-[(phenylcarbamoyl)amino]naphthalene-2-carboximidamide
Cc1c(c(no1)c2ccccc2Cl)C(=O)NCC(=O)O	1U3	n-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}glycine
CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccccc1)N[P@](=O)(CNC(=O)OCc2ccccc2)O	1U4	n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-phenylalanyl-l-leucine
C[C@]12CC[C@](C1(C)C)(OC2=O)C(=O)O	1U5	(1r,4s)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid
CCN1C(=O)CC(=O)N(C1=S)CC	1U6	1,3-diethyl-2-thioxodihydropyrimidine-4,6(1h,5h)-dione
c1ccc(cc1)[C@]2(CCN[C@@H]3[C@@H]2CCCC3)O	1U7	(4r,4as,8as)-4-phenyldecahydroquinolin-4-ol
Cc1cccc(c1C(=O)OCC(=O)[C@H](CC(=O)O)N)C	1U8	(3s)-3-amino-5-[(2,6-dimethylbenzoyl)oxy]-4-oxopentanoic acid
[H]/N=C(/c1ccc2cc(ccc2c1)/C=C/c3cccc(c3)CCO)\N	1U9	6-{(e)-2-[3-(2-hydroxyethyl)phenyl]ethenyl}naphthalene-2-carboximidamide
Cc1ccc(cc1)CSC2=NC3=C(CCC3)C(=O)N2	1UA	2-[(4-methylbenzyl)sulfanyl]-3,5,6,7-tetrahydro-4h-cyclopenta[d]pyrimidin-4-one
C(=C/C(=C(/C(=O)O)\N)/C(=O)O)C=O	1UC	(2e)-2-amino-3-[(1e)-3-oxoprop-1-en-1-yl]but-2-enedioic acid
CNc1[nH]c2cc3c(c(c2n1)CC[C@@H]4[C@H]([C@H]([C@@H](O4)OC)O)OC)N=C(NC3=O)N	1UD	methyl 6-[6-amino-2-(methylamino)-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-4-yl]-5,6-dideoxy-3-o-methyl-beta-d-ribo-hexofuranoside
c1ccc(cc1)Sc2cccc3c2c4c([nH]3)N=C(NC4=O)N	1UE	2-amino-5-(phenylsulfanyl)-3,9-dihydro-4h-pyrimido[4,5-b]indol-4-one
Cc1c(c2c([nH]1)N=C(NC2=O)N)Sc3ccc(c(c3)Cl)C(=O)NC(CCC(=O)O)C(=O)O	1UF	n-{4-[(2-amino-6-methyl-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)sulfanyl]-2-chlorobenzoyl}-l-glutamic acid
c1ccc2c(c1)cccc2Sc3cccc4c3c5c([nH]4)N=C(NC5=O)N	1UG	2-amino-5-(1-naphthylsulfanyl)-3,9-dihydro-4h-pyrimido[4,5-b]indol-4-one
c1cc2ccsc2c(c1)c3cc4c(cnc(c4o3)N)c5cnn(c5)C6CCNCC6	1UH	2-(1-benzothiophen-7-yl)-4-[1-(piperidin-4-yl)-1h-pyrazol-4-yl]furo[2,3-c]pyridin-7-amine
Cc1cc(cc(n1)C(=O)NCc2cc(cc(c2)F)c3cc(cnc3)OC)N4CC[C@@](C4=O)(C#N)C5CC5	1UI	4-[(3s)-3-cyano-3-cyclopropyl-2-oxidanylidene-pyrrolidin-1-yl]-n-[[3-fluoranyl-5-(5-methoxypyridin-3-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide
CC(=O)Nc1nc2ccc(cc2s1)C(=O)OC	1UJ	methyl 2-(acetylamino)-1,3-benzothiazole-6-carboxylate
CC(=O)Nc1cn2cc(ccc2n1)c3cc(c(nc3)N)C(F)(F)F	1UK	n-{6-[6-amino-5-(trifluoromethyl)pyridin-3-yl]imidazo[1,2-a]pyridin-2-yl}acetamide
CC(=O)N1CCC(CC1)n2cc(cn2)c3cnc(c4c3cc(o4)c5cccc6c5snn6)N	1UL	1-(4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)furo[2,3-c]pyridin-4-yl]-1h-pyrazol-1-yl}piperidin-1-yl)ethanone
Cc1c(cccc1O)C(=O)N[C@@H](CSc2ccccc2)[C@@H](C[N@@]3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O	1UN	2-[2-hydroxy-3-(3-hydroxy-2-methyl-benzoylamino)-4-phenyl sulfanyl-butyl]-decahydro-isoquinoline-3-carboxylic acid tert-butylamide
c1cc(c2c(c1)nns2)c3c(c4c(cnc(c4o3)N)c5cnn(c5)C6CCC(CC6)O)Cl	1UO	trans-4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-chlorofuro[2,3-c]pyridin-4-yl]-1h-pyrazol-1-yl}cyclohexanol
[H]/N=C(/c1ccc2ccc(c(c2c1)OCC(=O)N)OC)\N	1UP	2-[(7-carbamimidoyl-2-methoxynaphthalen-1-yl)oxy]acetamide
CN(C(=O)CS[C@@H](c1ccccc1)P(=O)(O)O)O	1UQ	[(s)-({2-[hydroxy(methyl)amino]-2-oxoethyl}sulfanyl)(phenyl)methyl]phosphonic acid
c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)C(=O)O	1UR	4-(4-oxo-4h-chromen-2-yl)benzoic acid
CCCCCCc1ccc(c(c1)O)Oc2ccccc2Cl	1US	2-(2-chloranylphenoxy)-5-hexyl-phenol
CN(C)c1ccc(cc1)C2=CC(=O)c3ccccc3O2	1UT	2-[4-(dimethylamino)phenyl]-4h-chromen-4-one
c1c2c(c3c(c1F)N4CC[C@H]([C@H]4COC3)N)N(C=C(C2=O)C(=O)O)C5CC5	1UV	(3as,4r)-4-amino-13-cyclopropyl-8-fluoro-10-oxo-3a,4,5,6,10,13-hexahydro-1h,3h-pyrrolo[2',1':3,4][1,4]oxazepino[5,6-h]quinoline-11-carboxylic acid
CCOC(=O)c1ccc(cc1)C2=CC(=O)c3ccccc3O2	1UW	ethyl 4-(4-oxo-4h-chromen-2-yl)benzoate
CCCc1c(nc(s1)c2ccc(c(c2)OCC(C)(C)O)OC)CSc3nc(cc(n3)N)N	1UX	1-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]-2-methylpropan-2-ol
c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)C#N	1UZ	4-(4-oxo-4h-chromen-2-yl)benzonitrile
c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)[N+](=O)[O-]	1V0	2-(4-nitrophenyl)-4h-chromen-4-one
c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)Cl	1V1	2-(4-chlorophenyl)-4h-chromen-4-one
c1cc(ccc1CCN2CC[C@@H](C[C@@H]2CO)O)Nc3nc(cs3)c4ccc(c(c4)Cl)Cl	1V2	(2r,4s)-1-[2-(4-{[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino}phenyl)ethyl]-2-(hydroxymethyl)piperidin-4-ol
c1ccc(cc1)C2=CC(=O)c3cc(ccc3O2)Cl	1V3	6-chloro-2-phenyl-4h-chromen-4-one
c1ccc(cc1)C2=CC(=O)c3cc(ccc3O2)F	1V4	6-fluoro-2-phenyl-4h-chromen-4-one
c1cc(ccc1C2(CC2)NC(=O)c3ccc4c(c3)n5ccnc5c(n4)NC6CCC(CC6)O)F	1V5	n-[1-(4-fluorophenyl)cyclopropyl]-4-[(trans-4-hydroxycyclohexyl)amino]imidazo[1,2-a]quinoxaline-8-carboxamide
c1ccc(cc1)Cc2ccc(cc2)c3csc(n3)N	1V6	4-(4-benzylphenyl)-1,3-thiazol-2-amine
CC(C)(C)c1ccccc1OCC(=O)NC[C@@H](c2ccc(c(c2)OC)OC)n3c4ccc(cc4nc3c5ccc(c(c5)O)Br)C(=O)NC	1V7	2-(4-bromanyl-3-oxidanyl-phenyl)-1-[(1r)-2-[2-(2-tert-butylphenoxy)ethanoylamino]-1-(3,4-dimethoxyphenyl)ethyl]-n-methyl-benzimidazole-5-carboxamide
c1ccc2c(c1)C(=O)C=C(O2)c3ccc4c(c3)OCO4	1V8	2-(1,3-benzodioxol-5-yl)-4h-chromen-4-one
CC[C@@H](c1ccccc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2	1V9	3-(4-oxo-3,4-dihydroquinazolin-2-yl)-n-[(1s)-1-phenylpropyl]propanamide
c1ccc(cc1)C[C@@H](CO)NC(=O)CCC2=Nc3ccccc3C(=O)N2	1VA	n-[(2s)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide
C[C@@H](c1ccc(cc1)S(=O)(=O)N)NC(=O)CCC2=Nc3ccccc3C(=O)N2	1VB	3-(4-oxo-3,4-dihydroquinazolin-2-yl)-n-[(1s)-1-(4-sulfamoylphenyl)ethyl]propanamide
COC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2	1VC	methyl n-[3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoyl]-l-phenylalaninate
C[C@@H](c1ccc(cc1)n2ccnc2)NC(=O)CCC3=Nc4ccccc4C(=O)N3	1VD	n-{(1s)-1-[4-(1h-imidazol-1-yl)phenyl]ethyl}-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide
c1ccc2c(c1)[nH]c(n2)COc3cccc(c3)C(=O)c4c(non4)N	1VE	(4-azanyl-1,2,5-oxadiazol-3-yl)-[3-(1h-benzimidazol-2-ylmethoxy)phenyl]methanone
CN1CCN(CC1)C(=O)c2ccc(cc2)C3=CC(=O)c4ccccc4O3	1VF	2-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-4h-chromen-4-one
c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)c4[nH]nnn4	1VG	2-[4-(1h-tetrazol-5-yl)phenyl]-4h-chromen-4-one
COc1ccc(c(c1)CCC(=O)Nc2cc(ccn2)c3c(nc([nH]3)SC)c4ccc(cc4)F)OC	1VI	3-(2,5-dimethoxyphenyl)-~{n}-[4-[4-(4-fluorophenyl)-2-methylsulfanyl-1~{h}-imidazol-5-yl]pyridin-2-yl]propanamide
CCOC(=O)COc1cccc(c1)C(=O)c2c(non2)N	1VJ	ethyl 2-[3-[(4-azanyl-1,2,5-oxadiazol-3-yl)carbonyl]phenoxy]ethanoate
c1ccc(cc1)C(=O)c2c(non2)N	1VK	(4-azanyl-1,2,5-oxadiazol-3-yl)-phenyl-methanone
c1ccc2c(c1)[C@@H](C(=O)N2CN3CCN(CC3)Cc4ccc5c(c4)OCO5)O	1VL	(3s)-1-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-3-hydroxy-1,3-dihydro-2h-indol-2-one
Cc1cc2c(cc1C)n(c(n2)c3nccs3)c4ccc5c(c4)nc(nc5N)N	1VM	7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)-1h-benzimidazol-1-yl]quinazoline-2,4-diamine
Cc1cc2c(cc1C)n(c(n2)c3nccs3)c4cc5c(cc4Cl)c(nc(n5)N)N	1VN	6-chloro-7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)-1h-benzimidazol-1-yl]quinazoline-2,4-diamine
Cc1cc2c(cc1C)n(c(n2)c3cscn3)c4ccc5c(c4)nc(nc5N)N	1VO	7-[5,6-dimethyl-2-(1,3-thiazol-4-yl)-1h-benzimidazol-1-yl]quinazoline-2,4-diamine
CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)CNC(=O)Cc1ccccc1	1VP	n-(phenylacetyl)glycyl-n~6~-acetyl-l-lysine
Cc1ncc(n1CCOS(=O)(=O)N)[N+](=O)[O-]	1VQ	2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl sulfamate
CC(C)[C@@H](CC(=O)O)N	1VR	(3r)-3-amino-4-methylpentanoic acid
CCNC(=O)c1c(csc1NC(=O)CNCCc2c[nH]c3c2cccc3)c4ccccc4	1VS	n-ethyl-2-({n-[2-(1h-indol-3-yl)ethyl]glycyl}amino)-4-phenylthiophene-3-carboxamide
c1ccc(cc1)CNCCC(=O)Nc2c(c(cs2)c3ccccc3)C(=O)NCc4ccccc4	1VT	n-benzyl-2-[(n-benzyl-beta-alanyl)amino]-4-phenylthiophene-3-carboxamide
CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	1VU	propionyl coenzyme a
c1ccc2c(c1)CCN([C@@H]2CN3C(=O)c4ccccc4C3=O)C(=O)[C@@H]5CCCC[C@@H]5C(=O)O	1VV	(1s,2r)-2-{[(1s)-1-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1h)-yl]carbonyl}cyclohexanecarboxylic acid
c1ccc2c(c1)CCN([C@@H]2CN3C(=O)c4ccccc4C3=O)C(=O)[C@@H]5CCCC[C@@H]5c6[nH]nnn6	1VW	2-{[(1s)-2-{[(1r,2s)-2-(1h-tetrazol-5-yl)cyclohexyl]carbonyl}-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1h-isoindole-1,3(2h)-dione
Cc1cccc2c1CCN([C@@H]2CN3Cc4ccccc4C3=O)C(=O)[C@@H]5CCCC[C@@H]5C(=O)O	1VX	(1s,2r)-2-{[(1s)-5-methyl-1-[(1-oxo-1,3-dihydro-2h-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1h)-yl]carbonyl}cyclohexanecarboxylic acid
CC1=C(N(C2=NC(=O)NC(=O)C2=N1)C[C@@H]([C@@H]([C@@H](CO)O)O)O)O	1VY	1-deoxy-1-(7-hydroxy-6-methyl-2,4-dioxo-3,4-dihydropteridin-8(2h)-yl)-d-ribitol
c1cc(ccc1CCN2CCCC2)N3CCC(CC3)N4CCCC4	1VZ	4-(pyrrolidin-1-yl)-1-{4-[2-(pyrrolidin-1-yl)ethyl]phenyl}piperidine
c1cc(cc(c1)[C@]23CCOC[C@H]2OC(=N3)N)c4cncnc4	1W0	(3as,7ar)-7a-[3-(pyrimidin-5-yl)phenyl]-3a,6,7,7a-tetrahydro-4h-pyrano[4,3-d][1,3]oxazol-2-amine
c1cc(c(nc1)N2CC[C@]3([C@@H](C2)OC(=N3)N)c4ccc(cc4F)F)C#N	1W1	2-[(3ar,7ar)-2-amino-7a-(2,4-difluorophenyl)-3a,6,7,7a-tetrahydro[1,3]oxazolo[5,4-c]pyridin-5(4h)-yl]pyridine-3-carbonitrile
c1cc(c(nc1)N2CC[C@@H]3[C@](C2)(N=C(O3)N)c4ccc(cc4F)F)C#N	1W2	2-[(3as,7ar)-2-amino-3a-(2,4-difluorophenyl)-3a,6,7,7a-tetrahydro[1,3]oxazolo[4,5-c]pyridin-5(4h)-yl]pyridine-3-carbonitrile
Cc1cc(cc(c1O)C)/C=C/C2=C(c3ccc(cc3OC2=O)O)C	1W3	7-hydroxy-3-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-4-methyl-2h-chromen-2-one
Cc1cc(cc(c1O)C)/C=C/c2cc(cc(c2)N(C)C)C(=O)Sc3ccc(cc3)F	1W4	s-(4-fluorophenyl) 3-(dimethylamino)-5-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzenecarbothioate
c1c(c(nc(c1[N+](=O)[O-])N)O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	1W5	(1r)-1-(6-amino-2-hydroxy-5-nitropyridin-3-yl)-1,4-anhydro-2-deoxy-5-o-phosphono-d-erythro-pentitol
CCOC(=O)NC(=O)c1ccsc1NC(=O)c2nc3ccccc3s2	1W6	ethyl ({2-[(1,3-benzothiazol-2-ylcarbonyl)amino]thiophen-3-yl}carbonyl)carbamate
Cc1ccc(cc1)CS(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3C	1W7	n-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-1-(4-methylphenyl)methanesulfonamide
CCO/N=C(/c1nc(sn1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)Sc4nc(cs4)c5cc[n+](cc5)C)C(=O)O	1W8	ceftaroline
Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H](CO)C(=O)O)O	1W9	(2r)-2-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-oxidanyl-propanoic acid
c1c[n+]-2c(nc([nH]c2[n+]1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N)O	1WA	2-amino-8-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-4-hydroxy-1h-imidazo[1,2-a][1,3,5]triazine-5,8-diium
COc1cc(cc(c1)C(=O)O)C(=O)O	1WB	5-methoxybenzene-1,3-dicarboxylic acid
Cc1c(cn[nH]1)c2ccccc2Cl	1WC	4-(2-chlorophenyl)-5-methyl-1h-pyrazole
c1cc(c(nc1)C(=O)O)S	1WD	3-sulfanylpyridine-2-carboxylic acid
C[C@@H](Cc1ccccc1)N	1WE	(2s)-1-phenylpropan-2-amine
C[C@@H](Cc1ccc(cc1)O)NC	1WF	4-[(2s)-2-(methylamino)propyl]phenol
C1=C(C(=O)C=C(C1=O)O)O	1WG	2,5-dihydroxycyclohexa-2,5-diene-1,4-dione
Cc1c(c(c2c(n1)CN(C2=O)CCOC)c3ccc(cc3Cl)Cl)CN	1WH	3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-2-methyl-6,7-dihydro-5h-pyrrolo[3,4-b]pyridin-5-one
CCC(CC)N1CCN(CC1=O)C(=O)c2cc(ccc2F)CN3c4ccccc4C(=O)NC3=O	1WI	1-[[4-fluoranyl-3-(3-oxidanylidene-4-pentan-3-yl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione
CNc1[nH]c2cc3c(c(c2n1)CC[C@@H]4[C@H]([C@H]([C@@H](O4)OC)OC)O)N=C(NC3=O)N	1WJ	methyl 6-[6-amino-2-(methylamino)-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-4-yl]-5,6-dideoxy-2-o-methyl-beta-d-ribo-hexofuranoside
CNc1[nH]c2cc3c(c(c2n1)CC[C@@H]4[C@H]([C@H]([C@@H](O4)OC)O)O)N=C(NC3=O)N	1WK	methyl 6-[6-amino-2-(methylamino)-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-4-yl]-5,6-dideoxy-beta-d-ribo-hexofuranoside
c1cc(ccc1C#CC#Cc2ccc(cc2)N)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)NO	1WL	nalpha-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-n-hydroxy-l-histidinamide
c1cc(ccc1C#CC#Cc2ccc(cc2)N)C(=O)N[C@@H]([C@H](c3ccc(cc3)O)O)C(=O)NO	1WM	(betas)-nalpha-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-n,beta-dihydroxy-l-tyrosinamide
C[C@](c1ccc(cc1)O)([C@@H](C(=O)NO)NC(=O)c2ccc(cc2)C#CC#Cc3ccc(cc3)N)O	1WN	(betas)-nalpha-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-n,beta-dihydroxy-beta-methyl-l-tyrosinamide
CC(C)C1=CC2=CC(=O)[C@@H]3[C@@](C2=C(C1=O)O)(CCCC3(C)C)C	1WO	(5beta)-11-hydroxyabieta-7,9(11),13-triene-6,12-dione
c1cc(cc(c1)[C@]23CCCC[C@H]2OC(=N3)N)c4cc(cnc4)Cl	1WP	(3ar,7ar)-3a-[3-(5-chloropyridin-3-yl)phenyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-amine
C[C@H]1C(=O)Nc2cc(ccc2O1)CN3CCC(=CC3)c4ccc(cc4)Cl	1WQ	(2s)-6-{[4-(4-chlorophenyl)-3,6-dihydropyridin-1(2h)-yl]methyl}-2-methyl-2h-1,4-benzoxazin-3(4h)-one
c1ccc(cc1)C(=CCCN2CCC[C@@H](C2)C(=O)O)c3ccccc3	1WR	(3s)-1-(4,4-diphenylbut-3-enyl)piperidine-3-carboxylic acid
c1cc(cc(c1)F)Nc2c-3c(n[nH]2)CCc4c3[nH]nc4C(=O)NCCCN	1WS	n-(3-aminopropyl)-8-[(3-fluorophenyl)amino]-2,4,5,7-tetrahydropyrazolo[3,4-e]indazole-3-carboxamide
CCN1c2c(cccn2)N(C(=O)c3c1ncc(c3)CCOC4=CC=[N](c5c4cccc5)O)C	1WT	11-ethyl-5-methyl-8-[2-(1-oxidanylquinolin-4-yl)oxyethyl]dipyrido[3,2-[1,4]diazepin-6-one
B1(c2cc(ccc2CO1)Oc3ccc(cc3F)CN)O	1WU	6-[4-(aminomethyl)-2-fluorophenoxy]-2,1-benzoxaborol-1(3h)-ol
CCCCCCC=CCCCCCC(=O)OC[C@H](CO)O	1WV	(2s)-2,3-dihydroxypropyl (7z)-tetradec-7-enoate
c1cc(ccc1CNC(=O)c2ccc(cc2OCC(=O)O)Cl)I	1WW	{5-chloro-2-[(4-iodobenzyl)carbamoyl]phenoxy}acetic acid
c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(c(c(c(c2F)F)Br)F)F	1WX	{2-[(4-bromo-2,3,5,6-tetrafluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
CCC(=O)Nc1ccc(c(c1)Nc2ncc(c(n2)c3c[nH]c4c3cccc4)Cl)OC	1WY	n-(3-{[5-chloro-4-(1h-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)propanamide
Cc1cc(cc(c1O)C)/C=C/c2cc(cc(c2)N(C)C)C(=O)O	1WZ	3-(dimethylamino)-5-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoic acid
C=CCCCC[C@@H](C(=O)O)N	1X0	(2s)-2-aminooct-7-enoic acid
c1ccc2c(c1)CCN(C2)C(=O)O	1X1	3,4-dihydroisoquinoline-2(1h)-carboxylic acid
c1ccc(cc1)CCCCCCN=C=S	1X2	6-isothiocyanatohexylbenzene
c1ccc2c(c1)CCN(C2)C(=O)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5CCCCCCC[C@@H](C(=O)N4C3)NC(=O)OC6CCCC6)C(=O)NS(=O)(=O)C7CC7	1X3	(2r,6s,13ar,14ar,16as)-6-{[(cyclopentyloxy)carbonyl]amino}-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxooctadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 3,4-dihydroisoquinoline-2(1h)-carboxylate
C1C[C@H](O[C@@H]1COP(=O)(O)O)O	1X4	2,3-dideoxy-5-o-phosphono-alpha-d-ribofuranose
CN(Cc1cccnc1)c2ccc(c(c2)C(=O)O)NC(=O)C3CC3	1X5	2-[(cyclopropylcarbonyl)amino]-5-[methyl(pyridin-3-ylmethyl)amino]benzoic acid
C([C@@H](C(=O)O)N)OC(=O)/C=C/N	1X6	o-[(2e)-3-aminoprop-2-enoyl]-l-serine
c1c2c(c(cnc2N)C(=O)N)sc1Br	1X7	4-amino-2-bromothieno[3,2-c]pyridine-7-carboxamide
c1c2c(c(cnc2N)C(=O)N)sc1C(=O)N	1X8	4-aminothieno[3,2-c]pyridine-2,7-dicarboxamide
C/C=C/C/C=C/CCC(=O)[C@@H]1[C@@H](O1)C(=O)N	1X9	cerulenin
Cc1c(c(on1)N)c2ccccc2	1XA	3-methyl-4-phenyl-1,2-oxazol-5-amine
Cc1c(sc-2c1C(=N[C@H](c3c2c(no3)C)CC(=O)N)c4ccc(cc4)Cl)C	1XB	2-[(6s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-[1,2]oxazolo[5,4-c]thieno[2,3-e]azepin-6-yl]acetamide
c1cc(ccc1CNC(=O)c2ccc3n(c2)cc[n+]3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)S(=O)(=O)c5cc(cc(c5)F)F	1XC	6-({4-[(3,5-difluorophenyl)sulfonyl]benzyl}carbamoyl)-1-(5-o-phosphono-beta-d-ribofuranosyl)imidazo[1,2-a]pyridin-1-ium
c1cc(ccc1CNC(=O)c2ccn3ccnc3c2)S(=O)(=O)c4cc(cc(c4)F)F	1XD	n-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-7-carboxamide
CC(C)(COP(=O)(O)OP(=O)(O)OCc1c(c(c(o1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)N/C=C/SCC(O)O)O	1XE	[5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)furan-2-yl]methyl (3r)-4-{[3-({(e)-2-[(2,2-dihydroxyethyl)sulfanyl]ethenyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate
c1ccc(c(c1)C(=O)O)NC(=O)CSC(=O)N	1XF	2-{[(carbamoylsulfanyl)acetyl]amino}benzoic acid
C/C=C/C/C=C/CCC(=O)[C@@H](CC(=O)N)O	1XG	(3r,7e,10e)-3-hydroxy-4-oxododeca-7,10-dienamide
C[C@@H]1CC[C@]2([C@@H]([C@@]1(C)CC3=CC(=O)C=CC3=O)CCCC2=C)C	1XH	2-{[(1s,2r,4as,8ar)-1,2,4a-trimethyl-5-methylidenedecahydronaphthalen-1-yl]methyl}cyclohexa-2,5-diene-1,4-dione
CC(=O)N[C@H]1CN\2[C@H](CS/C2=N\Cc3ccccc3)[C@H]([C@@H]1O)O	1XI	~{n}-[(3~{z},6~{s},7~{r},8~{r},8~{a}~{s})-7,8-bis(oxidanyl)-3-(phenylmethyl)imino-1,5,6,7,8,8~{a}-hexahydro-[1,3]thiazolo[3,4-a]pyridin-6-yl]ethanamide
CC1(CCC(=C(C1)CN2CCN(CC2)c3ccc(cc3)C(=O)NS(=O)(=O)c4ccc(c(c4)S(=O)(=O)C(F)(F)F)N[C@H](CCN5CCOCC5)CSc6ccccc6)c7ccc(cc7)Cl)C	1XJ	4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-n-[(4-{[(2r)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide
Cc1cc(cc(n1)C(=O)NCc2cc(cc(c2)F)c3cnn(c3)C)N4CC[C@@](C4=O)(CO)C5CC5	1XK	4-[(3s)-3-cyclopropyl-3-(hydroxymethyl)-2-oxidanylidene-pyrrolidin-1-yl]-n-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide
C1=C(N=C2C(=O)NC(=O)N=C2N1C[C@H]([C@@H]([C@@H](CO)O)O)O)CO	1XL	1-deoxy-1-[6-(hydroxymethyl)-2,4-dioxo-3,4-dihydropteridin-8(2h)-yl]-d-arabinitol
c1c2c([nH]n1)NC(=S)N=C2N	1XM	4-amino-1,7-dihydro-6h-pyrazolo[3,4-d]pyrimidine-6-thione
c1ccc2c(c1)c([nH]c2N)N	1XN	2h-isoindole-1,3-diamine
c1ccc(cc1)CCC(=O)N(Cc2cccs2)CC3=Nc4ccccc4C(=O)N3	1XO	n-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-3-phenyl-n-(thiophen-2-ylmethyl)propanamide
COc1cc(c(cc1C(=O)NCCN2CCC(CC2)C(=O)c3ccc(cc3)F)C#N)Cl	1XP	4-chloro-5-cyano-n-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}-2-methoxybenzamide
c1cc(sc1)CN(CC2=NC3=C(COCC3)C(=O)N2)C(=O)CN4CCC(CC4)C(=O)c5ccc(cc5)F	1XQ	2-[4-(4-fluorobenzoyl)piperidin-1-yl]-n-[(4-oxo-3,5,7,8-tetrahydro-4h-pyrano[4,3-d]pyrimidin-2-yl)methyl]-n-(thiophen-2-ylmethyl)acetamide
c1cc(c(cc1c2ccc(o2)C(=O)O)Cl)F	1XS	5-(3-chloro-4-fluorophenyl)furan-2-carboxylic acid
Cc1cccc(c1)n2c(cc(n2)C(=O)O)c3ccc(cc3)OCc4ccc(cc4)c5ccc(o5)C(=O)O	1XT	5-(4-{[4-(5-carboxyfuran-2-yl)benzyl]oxy}phenyl)-1-(3-methylphenyl)-1h-pyrazole-3-carboxylic acid
c1cc(ccc1CNC(=S)c2ccc(cc2Cl)c3ccc(o3)C(=O)O)c4ccnn4c5ccc(c(c5)Cl)Cl	1XU	5-[3-chloro-4-({4-[1-(3,4-dichlorophenyl)-1h-pyrazol-5-yl]benzyl}carbamothioyl)phenyl]furan-2-carboxylic acid
c1cc(ccc1C2=C(COCC2)CN3CCN(CC3)c4ccc(cc4)C(=O)NS(=O)(=O)c5ccc(c(c5)[N+](=O)[O-])NC6CCOCC6)Cl	1XV	4-(4-{[4-(4-chlorophenyl)-5,6-dihydro-2h-pyran-3-yl]methyl}piperazin-1-yl)-n-{[3-nitro-4-(tetrahydro-2h-pyran-4-ylamino)phenyl]sulfonyl}benzamide
C1[C@@H]2C[C@@H]2N3[C@H]1CN[C@@H](C3)C(=O)O	1XW	(1as,4s,6ar,7as)-octahydro-1h-cyclopropa[4,5]pyrrolo[1,2-a]pyrazine-4-carboxylic acid
C[C@@H]1C(=O)C(=C(O1)C)O	1XX	(2r)-4-hydroxy-2,5-dimethylfuran-3(2h)-one
c1ccc2c(c1)[C@@H](CCO2)N	1XY	(4r)-3,4-dihydro-2h-chromen-4-amine
CCC(=O)Nc1cc(cc(c1)C(=O)NCc2cn(nn2)[C@@H]3CCCC[C@H]3OC)c4c5ccccc5n[nH]4	1XZ	3-(2~{h}-indazol-3-yl)-~{n}-[[1-[(1~{r},2~{r})-2-methoxycyclohexyl]-1,2,3-triazol-4-yl]methyl]-5-(propanoylamino)benzamide
C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H]3C[C@@H]4C[C@@H]4N3C[C@H]2C(=O)N[C@@H]5CCOc6c5cccc6)NC	1Y0	(4s,6ar,7as)-5-{(2s)-2-cyclohexyl-2-[(n-methyl-l-alanyl)amino]acetyl}-n-[(4r)-3,4-dihydro-2h-chromen-4-yl]octahydro-1h-cyclopropa[4,5]pyrrolo[1,2-a]pyrazine-4-carboxamide
CN(C)CCOc1cccc(c1CN2CCN(CC2)c3ccc(c(c3)Oc4ccc5c(c4)cc[nH]5)C(=O)NS(=O)(=O)c6ccc(c(c6)[N+](=O)[O-])NCC7CCOCC7)c8ccc(cc8)Cl	1Y1	4-[4-({4'-chloro-3-[2-(dimethylamino)ethoxy]biphenyl-2-yl}methyl)piperazin-1-yl]-2-(1h-indol-5-yloxy)-n-({3-nitro-4-[(tetrahydro-2h-pyran-4-ylmethyl)amino]phenyl}sulfonyl)benzamide
C1CC(CCC1[C@@H](C(=O)O)N)(F)F	1Y2	(2s)-amino(4,4-difluorocyclohexyl)ethanoic acid
CCO[C@@H]1C[C@@H]2CN[C@@H](CN2C1)C(=O)O	1Y3	(3s,7r,8ar)-7-ethoxyoctahydropyrrolo[1,2-a]pyrazine-3-carboxylic acid
C1C[C@@H]2CN[C@@H](CN2C1)C(=O)O	1Y4	(3s,8ar)-octahydropyrrolo[1,2-a]pyrazine-3-carboxylic acid
c1ccc2c(c1)CCC[C@H]2N	1Y5	(1r)-1,2,3,4-tetrahydronaphthalen-1-amine
c1cc(ccc1C(=O)O)F	1Y6	4-fluorobenzoic acid
C([C@@H]([C@H]([C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O)O	1Y7	(2r,3r,4s,5r,6s)-2,3,4,5,6,7-hexahydroxyheptyl dihydrogen phosphate
C[As](C)(C)CCO	1Y8	2-(trimethyl-lambda~5~-arsanyl)ethanol
CC(=CC[C@]1(C=C(C[C@@H]1O)CO)C=O)C	1Y9	vibralactone, bound form
c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(C[C@@H]2CNC3=C(N2)C(=O)NC(=N3)N)C=O	1YA	n-{4-[{[(6s)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}(formyl)amino]benzoyl}-l-glutamic acid
c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O[C@@H]5[C@@H]([C@@H](COP(=O)(O4)O)O[C@H]5n6cnc7c6N=C(NC7=O)N)O)O)O)N	1YC	2-amino-9-[(1r,3r,6r,8r,9r,11s,14r,16r,17r,18r)-16-(6-amino-9h-purin-9-yl)-3,11,17,18-tetrahydroxy-3,11-dioxido-2,4,7,10,12,15-hexaoxa-3,11-diphosphatricyclo[12.2.1.1~6,9~]octadec-8-yl]-1,9-dihydro-6h-purin-6-one
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]4[C@@H](O3)COP(=O)(O[C@H]5[C@H](COP(=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N	1YD	2-amino-9-[(2r,3r,3ar,5s,7as,9r,10r,10ar,12r,14as)-9-(6-amino-9h-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2h,7h-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6h-purin-6-one
Cc1ccc2c(c1C)Oc3c(cccc3C2=O)CC(=O)O	1YE	(5,6-dimethyl-9-oxo-9h-xanthen-4-yl)acetic acid
C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC=O)O	1YF	 [(2r,3r,4s,5s,6r)-4-formamido-6-methyl-3,5-bis(oxidanyl)oxan-2-yl] [[(2r,3s,5r)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate
C[C@@H](c1ccccc1)C(=O)Nc2ncc(s2)SCc3ncc(o3)C(C)(C)C	1YG	(2s)-n-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)-2-phenylpropanamide
C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H]3CCCN3C[C@H]2C(=O)N[C@@H]4CCOc5c4cccc5)NC	1YH	(3s,8ar)-n-((r)-chroman-4-yl)-2-((s)-2-cyclohexyl-2-((s)-2-(methylamino)propanamido)acetyl)octahydropyrrolo[1,2-a]pyrazine-3-carboxamide
Cc1ccc(cc1Cc2ccc(cc2)CCCC(=O)NC(C)(C)C(=O)NCCN(C)C)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)SC)O)O)O	1YI	n-[2-(dimethylamino)ethyl]-2-methyl-2-[4-[4-[[2-methyl-5-[(2s,3r,4r,5s,6r)-6-methylsulfanyl-3,4,5-tris(oxidanyl)oxan-2-yl]phenyl]methyl]phenyl]butanoylamino]propanamide
c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2)C(=O)NC(=N3)N	1YJ	n-[4-({[(6r)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-l-glutamic acid
C[C@@]12CC[C@@]3([C@@]([C@]1(CC4=C(O2)C=C(OC4=O)c5cc(c(c(c5)OC)OC)OC)O)(C(=O)C=CC3(C)C)C)O	1YK	territrem b
Cc1cccc2c1ccc3c2C(=O)C(=O)C4=C3OC[C@@H]4C	1YL	dihydrotanshinone i
CCNC(=O)Nc1cc(c(cn1)c2cc(cnc2)C(=O)O)c3nc(cs3)C(F)(F)F	1YM	6'-[(ethylcarbamoyl)amino]-4'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridine-5-carboxylic acid
CC[C@@H](C)N1C(=O)N(C=N1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl	1YN	2-[(2r)-butan-2-yl]-4-{4-[4-(4-{[(2r,4s)-2-(2,4-dichlorophenyl)-2-(1h-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3h-1,2,4-triazol-3-one
Cc1ccccc1CSc2nncn2N	1YO	3-[(2-methylbenzyl)sulfanyl]-4h-1,2,4-triazol-4-amine
CCNC(=O)Nc1cc(c(cn1)c2cc(cnc2)C3=NNC(=O)O3)c4nc(cs4)C(F)(F)F	1YP	1-ethyl-3-{5'-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridin-6-yl}urea
c1cc(cc(c1)Oc2ccc(cc2OCCN3C=CC(=O)NC3=O)Cl)/C=C/C#N	1YQ	(2e)-3-(3-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile
c1cc(c(cc1Cl)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)Br)/C=C/C#N	1YR	(2e)-3-(3-bromo-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile
CC(C)(C)c1cccc(c1)CN[C@H]2C[S@](=O)C[C@H]([C@@H]2O)Cc3cc(c(c(c3)F)N)OC(C(F)(F)F)C(F)(F)F	1YS	(1r,3s,4s,5r)-3-{4-amino-3-fluoro-5-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2h-thiopyran-4-ol 1-oxide
CC(C)(C)c1cccc(c1)CN[C@H]2C[S@](=O)C[C@H]([C@@H]2O)Cc3cc(c(c(c3)F)N)O[C@H](COC)C(F)(F)F	1YT	(1r,3s,4s,5r)-3-(4-amino-3-fluoro-5-{[(2r)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxy}benzyl)-5-[(3-tert-butylbenzyl)amino]tetrahydro-2h-thiopyran-4-ol 1-oxide
CC(C)(C)c1cccc(c1)CN[C@H]2C[S@@](=O)C[C@H]([C@@H]2O)Cc3cc(c(c(c3)F)N)OC(C(F)(F)F)C(F)(F)F	1YU	(1s,3s,4s,5r)-3-{4-amino-3-fluoro-5-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2h-thiopyran-4-ol 1-oxide
C[C@@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)c2ccc(cc2)C#N	1YV	n-[(2r)-2-(4'-cyanobiphenyl-4-yl)propyl]propane-2-sulfonamide
CC(=O)NC[C@@H]1CC(=NO1)c2ccc(c(c2)F)N3CCCC3	1YW	n-({(5s)-3-[3-fluoro-4-(pyrrolidin-1-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl}methyl)acetamide
CC(C)S(=O)(=O)NC[C@@H]1CC(=NO1)c2ccc(c(c2)F)N3CC[C@@H](C3)NC(=O)C	1YX	n-[(3s)-1-{2-fluoro-4-[(5s)-5-{[(propan-2-ylsulfonyl)amino]methyl}-4,5-dihydro-1,2-oxazol-3-yl]phenyl}pyrrolidin-3-yl]acetamide
C[C@H]1COCCN1C[C@H]2CN(CCN2c3ccc(cc3)[C@](C)(C(F)(F)F)O)S(=O)(=O)c4cccs4	1YY	(2r)-1,1,1-trifluoro-2-{4-[(2s)-2-{[(3s)-3-methylmorpholin-4-yl]methyl}-4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol
CCOc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N	1YZ	4-(carbamoylamino)-1-(7-ethoxynaphthalen-1-yl)-1h-pyrazole-3-carboxamide
[H]/N=C(\N)/NCCC[C@@H](C(=O)c1nc2ccc(cc2s1)C(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](Cc4ccccc4)NC	1Z0	n-methyl-d-phenylalanyl-n-{(1s)-4-carbamimidamido-1-[(6-carboxy-1,3-benzothiazol-2-yl)carbonyl]butyl}-l-prolinamide
CC[C@H](C)CNC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CCCCNC(=S)NC)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N(C)C)O	1Z1	n-(dimethylsulfamoyl)-l-phenylalanyl-n-[(1s,2s)-2-hydroxy-4-{[(2s)-2-methylbutyl]amino}-1-(2-methylpropyl)-4-oxobutyl]-n~6~-(methylcarbamothioyl)-l-lysinamide
Cc1c(c[nH]n1)c2ccc(cc2)F	1Z6	4-(4-fluorophenyl)-3-methyl-1h-pyrazole
CC(C)C[C@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)[P@@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)OC	1Z7	n-(3-methylbutanoyl)-l-valyl-n-{(1s)-1-[(r)-[(1r)-1-benzyl-2-methoxy-2-oxoethoxy](hydroxy)phosphoryl]-3-methylbutyl}-l- valinamide
c1ccc(cc1)c2c[nH]nc2C(F)(F)F	1Z8	4-phenyl-3-(trifluoromethyl)-1h-pyrazole
c1ccc(cc1)C[C@@H](C(=O)C=[N+]=[N-])NC(=O)CN	1ZB	n-[(1s)-1-benzyl-3-diazen-1-iumylidene-2-oxopropyl]glycinamide
COc1cccc(c1)C(=O)c2c(non2)N	1ZC	(4-azanyl-1,2,5-oxadiazol-3-yl)-(3-methoxyphenyl)methanone
CCCC[C@@H](CN[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C	1ZD	n-{(2s)-2-[(n-acetyl-l-threonyl-l-isoleucyl)amino]hexyl}-l-norleucyl-l-glutaminyl-n~5~-[amino(iminio)methyl]-l-ornithinamide
CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)P(=O)(O)O)NC(=O)CCC(=O)O	1ZG	n-(3-carboxypropanoyl)-l-valyl-n-{(1r)-1-[(s)-hydroxy(oxido)phosphanyl]-2-phenylethyl}-l-prolinamide
CC[C@H](C)[C@@H](C(=O)NCc1ccccn1)NC(=O)[C@H](C(C)C)[C@H]([C@@H]([C@H](CC2CCCCC2)NC(=O)[C@H](Cc3c[nH]c[nH+]3)NC(=O)COc4cccc5c4cccc5)O)O	1ZK	4-[(2r)-3-{[(1s,2s,3r,4s)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-4-({(1s,2r)-2-methyl-1-[(pyridin-2-ylmethyl)carba moyl]butyl}carbamoyl)hexyl]amino}-2-{[(naphthalen-1-yloxy)acetyl]amino}-3-oxopropyl]-1h-imidazol-3-ium
C[C@@H](C=C(C)/C=C/[C@@H]([C@H](C)C(=O)O)N)[C@H](Cc1ccccc1)OC	1ZN	(2s,3s,4e,6e,8s,9s)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid
c1cc(ccc1c2cc(c(nc2c3ccc(cc3)F)O)O)F	1ZQ	5,6-bis(4-fluorophenyl)pyridine-2,3-diol
CC(=O)N[C@@H](CS)C(=O)O	1ZT	n-acetyl-l-cysteine
c1ccc(cc1)CC[C@@H]2C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)[C@H](NCCCCCCC[C@H](N2)O)O)CCCNC(=[NH2+])N	1ZV	amino({3-[(3r,5r,14s,16s,21ar)-5,14-dihydroxy-1,4,17-trioxo-16-(2-phenylethyl)icosahydro-1h-pyrrolo[1,2-d][1,4,7,11]tetraazacyclononadecin-3-yl]propyl}amino)methaniminium
c1cc(ccc1CNC=S)C#N	1ZW	n-[(4-cyanophenyl)methyl]methanethioamide
CCCCCCCCCCCC(=O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	1ZZ	5'-o-[(s)-(dodecanoyloxy)(hydroxy)phosphoryl]adenosine
c1cc(ccc1C[C@@H](C(=O)O)N)Cl	200	4-chloro-l-phenylalanine
c1ccc(cc1)c2ccc(cc2)c3cc(cc(c3)C(=O)O)C(=O)N	201	3-amido-5-biphenyl-benzoic acid
OBr(=O)=O	202	bromic acid
c1[nH]c2c(n1)NS(=O)(=O)NC2=O	203	1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4(3h)-one 2,2-dioxide
CCOC(=O)c1cnc(nc1O)N	204	2-amino-4-hydroxypyrimidine-5-carboxylic acid ethyl ester
c1cc(c(c(c1)Cl)c2nc3ccc(cc3o2)C(=O)O)Cl	205	2-(2,6-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid
c1c2c(c(nc1N)OCC3CCCCC3)nc[nH]2	207	1-amino-6-cyclohex-3-enylmethyloxypurine
CCO[C@@H](Cc1ccc2c(c1)ccn2Cc3c(oc(n3)c4ccccc4Cl)C)C(=O)O	208	(2s)-3-(1-{[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1h-indol-5-yl)-2-ethoxypropanoic acid
CN1c2c(nc([nH]2)N)C(=O)N(C1=O)C	209	8-amino-1,3-dimethyl-3,7-dihydropurine-2,6-dione
CCn1c2c(cn1)c(c(cn2)C(=O)NCc3ccccc3)NC4CCOCC4	20A	1-ethyl-n-(phenylmethyl)-4-(tetrahydro-2h-pyran-4-ylamino)-1h-pyrazolo[3,4-b]pyridine-5-carboxamide
c1ccc2c(c1)C(=O)C=C(O2)c3cccc(c3)O	20B	2-(3-hydroxyphenyl)-4h-chromen-4-one
Cc1cccc2c1C(=O)N(C2=O)c3ccc(c(c3)O)C(=O)O	20C	2-hydroxy-4-(4-methyl-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)benzoic acid
c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)F	20D	2-(4-fluorophenyl)-4h-chromen-4-one
C[C@]12CC[C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)[C@@]1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O)O)O	20E	(2beta,3beta,5beta,22r)-2,3,14,20,22,25-hexahydroxycholest-7-en-6-one
c1cc(ccc1c2[nH]nnn2)C3=C(C=C(C(=O)N3)O)c4ccc(cc4)F	20F	5-(4-fluorophenyl)-3-hydroxy-6-[4-(1h-tetrazol-5-yl)phenyl]pyridin-2(1h)-one
c1cc(c(cc1Cl)Cl)OCC(=O)N2CCC(CC2)NC(=O)CCCS	20G	n-{1-[(2,4-dichlorophenoxy)acetyl]piperidin-4-yl}-4-sulfanylbutanamide
c1cc(c(cc1Cl)Cl)OCC(=O)N2CCC(CC2)C(=O)NCCS	20H	1-[(2,4-dichlorophenoxy)acetyl]-n-(2-sulfanylethyl)piperidine-4-carboxamide
CC1=Nc2ccc(cc2S(=O)(=O)N1)Cl	20J	7-chloro-3-methyl-2h-1,2,4-benzothiadiazine 1,1-dioxide
Cc1c(sc(n1)C)c2ccnc(n2)Nc3ccc(c(c3)Cl)N(C)C	20K	2-chloro-n~4~-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-n~1~,n~1~-dimethylbenzene-1,4-diamine
c1ccc(cc1)Oc2ccc(cc2)C[NH3+]	20L	(4-phenoxyphenyl)methylazanium
c1cc(ccc1CNC2=Nc3ccncc3S(=O)(=O)N2)S(=O)(=O)N4CCC(CC4)N5CCCC5	20M	n-(4-{[4-(pyrrolidin-1-yl)piperidin-1-yl]sulfonyl}benzyl)-2h-pyrido[4,3-e][1,2,4]thiadiazin-3-amine 1,1-dioxide
CC(=O)Nc1ccc(cc1)NC(=O)C2CC2	20N	n-[4-(acetylamino)phenyl]cyclopropanecarboxamide
c1ccc(cc1)S(=O)(=O)c2ccc(cc2)NC(=O)[C@H]3C[C@@H]3c4cccnc4	20O	(1s,2s)-n-[4-(phenylsulfonyl)phenyl]-2-(pyridin-3-yl)cyclopropanecarboxamide
c1ccc(cc1)[C@H]2C[C@@H]2C(=O)Nc3ccncc3	20P	(1s,2s)-2-phenyl-n-(pyridin-4-yl)cyclopropanecarboxamide
CC(=O)N1CCC[C@@H](C1)[C@]2(c3ccc(cc3NC2=O)Cl)Cc4cccc(c4)Cl	20Q	(3s)-3-[(3r)-1-acetylpiperidin-3-yl]-6-chloro-3-(3-chlorobenzyl)-1,3-dihydro-2h-indol-2-one
c1ccc(cc1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4c[nH]nc4nc3	20R	n-[4-(phenylsulfonyl)benzyl]-2h-pyrazolo[3,4-b]pyridine-5-carboxamide
CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O	20S	beta-d-fructofuranosyl 6-o-octanoyl-alpha-d-glucopyranoside
c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4cnn(c4nc3)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)O)O)O)C(F)(F)F	20T	1-(5-o-phosphono-beta-d-ribofuranosyl)-n-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}benzyl)-1h-pyrazolo[3,4-b]pyridine-5-carboxamide
CC(C)(C)C[C@H]1[C@]2(c3ccc(cc3NC2=O)Cl)[C@H]([C@@H](N1)C(=O)Nc4ccc(cc4)C(=O)N)c5cccc(c5F)Cl	20U	(2's,3r,4's,5'r)-n-(4-carbamoylphenyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide
Cc1c(c(c(c(n1)/N=N/c2cc3c(cc(cc3S(=O)(=O)O)[N+](=O)[O-])c(c2)S(=O)(=O)O)COP(=O)(O)O)C=O)O	20V	3-[(e)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]-7-nitronaphthalene-1,5-disulfonic acid
CC(C)(C)C[C@H]1[C@]2(c3c(cc(s3)Cl)NC2=O)[C@H]([C@@H](N1)C(=O)Nc4ccc(cc4OC)C(=O)N)c5cccc(c5F)Cl	20W	(2s,3r,4r,5r)-n-(4-carbamoyl-2-methoxyphenyl)-2'-chloro-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-5'-oxo-4',5'-dihydrospiro[pyrrolidine-3,6'-thieno[3,2-b]pyrrole]-5-carboxamide
c1cc(ccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)F	20X	n-({(2e)-2-[(4-fluorophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
CC(=O)Nc1ccc(cc1)C(=O)Nc2cc(ccc2N)c3cccs3	20Y	4-(acetylamino)-n-[2-amino-5-(thiophen-2-yl)phenyl]benzamide
c1ccc2cc(ccc2c1)C(=O)c3c(nc(s3)Nc4ccc(cc4)S(=O)(=O)N)N	20Z	4-{[4-amino-5-(naphthalen-2-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
C(CN)C(O)(P(=O)(O)O)P(=O)(O)O	210	pamidronate
C(CO)N(CCO)CCO	211	2,2',2''-nitrilotriethanol
C(CC(O)(P(=O)(O)O)P(=O)(O)O)CN	212	alendronate
c1ccc(cc1)[C@@](Cc2ccc(cc2)c3cccc(c3)P(=O)(O)O)(Cc4ccc(cc4)C(F)(F)P(=O)(O)O)n5c6ccccc6nn5	213	4'-((2s)-2-(1h-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-phenylpropyl)-1,1'-biphenyl-3-ylphosphonic acid
Cc1ccc2cc(cc(c2n1)P(=O)(O)O)c3ccc(cc3)C[C@@](Cc4ccc(cc4)C(F)(F)P(=O)(O)O)(c5ccccc5)n6c7ccccc7nn6	214	6-[4-((2r)-2-(1h-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-phenylpropyl)phenyl]-2-methylquinolin-8-ylphosphonic acid
CN(C)CCOc1ccc(cc1)c2[nH]c(c(n2)c3ccc\4c(c3)CC/C4=N/O)c5ccncc5	215	(1z)-5-(2-{4-[2-(dimethylamino)ethoxy]phenyl}-5-pyridin-4-yl-1h-imidazol-4-yl)indan-1-one oxime
C=CCN1[C@@H]([C@@H]([C@H]([C@H](N(C1=O)CC=C)Cc2ccccc2)O)O)Cc3ccccc3	216	[4-r-(4-alpha,6-beta,7-beta]-hexahydro-5,6-di(hydroxy)-1,3-di(allyl)-4,7-bisphenylmethyl)-2h-1,3-diazepinone
C=CCC[C@@H](CO)O	217	(2s)-hex-5-ene-1,2-diol
Cc1c(ccc[n+]1Cc2cnc(nc2N)C)CCO	218	1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-hydroxyethyl)-2-methylpyridinium
c1ccc(c(c1)C=O)O[P@@](=O)(O)OCC2CCCCC2	219	cyclohexylmethyl 2-formylphenyl hydrogen (s)-phosphate
c1cc(ccc1c2cc(c(nc2c3ccc(cc3)F)O)O)c4[nH]nnn4	21A	6-(4-fluorophenyl)-5-[4-(1h-tetrazol-5-yl)phenyl]pyridine-2,3-diol
CNCCC=C1c2ccccc2CCc3c1cccc3	21B	nortriptyline
CCS(=O)(=O)NC1CCN(CC1)C(=O)CNc2cc(c(cc2O)Cl)Cl	21C	n-{1-[n-(4,5-dichloro-2-hydroxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide
c1cc2c(cccc2S(=O)(=O)O)c(c1)S(=O)(=O)O	21D	naphthalene-1,5-disulfonic acid
CC(C)(C)n1c(c(c(n1)c2ccc3ccccc3n2)C(=O)N)N	21E	5-amino-1-tert-butyl-3-(quinolin-2-yl)-1h-pyrazole-4-carboxamide
CCS(=O)(=O)NC1CCN(CC1)C(=O)CNc2cc(c(cc2OC)Cl)I	21F	n-{1-[n-(4-chloro-5-iodo-2-methoxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide
c1c(cnc2c1c(c[nH]2)c3ncc(c(n3)N[C@@H]4[C@H](C5CCC4CC5)C(=O)O)F)F	21G	(2s,3s)-3-[[5-fluoranyl-2-(5-fluoranyl-1h-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
C(O)OCO	21H	oxydimethanol
CCC(=O)Nc1cc(cc(c1)C(=O)NCc2cn(nn2)C3CCC3)c4c5ccccc5[nH]n4	21I	~{n}-[(1-cyclobutyl-1,2,3-triazol-4-yl)methyl]-3-(1~{h}-indazol-3-yl)-5-(propanoylamino)benzamide
CCS(=O)(=O)NC1CCN(CC1)C(=O)COc2c(cc(c3c2OC(O3)(C)C)Cl)Cl	21J	n-(1-{[(5,7-dichloro-2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]acetyl}piperidin-4-yl)ethanesulfonamide
CCS(=O)(=O)NC1CCN(CC1)C(=O)CNc2ccc(cc2Cl)Cl	21K	n-{1-[n-(2,4-dichlorophenyl)glycyl]piperidin-4-yl}ethanesulfonamide
CC(=O)C1=C(C=C2[C@@](C1=O)(c3c(cc(c(c3O2)C(=O)NCc4cc(cc5c4cccc5)CCC(=O)OC)OC)O)C)O	21L	methyl 3-{4-[({[(9as)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-yl]carbonyl}amino)methyl]naphthalen-2-yl}propanoate
CCS(=O)(=O)NC1CCN(CC1)C(=O)COc2ccc(cc2Cl)Cl	21M	n-{1-[(2,4-dichlorophenoxy)acetyl]piperidin-4-yl}ethanesulfonamide
c1cc(ccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(F)(F)F	21N	n-{[(2e)-2-{[4-(trifluoromethyl)phenyl]methylidene}hydrazino]carbonothioyl}-beta-d-glucopyranosylamine
c1ccc(cc1)[C@H](CC(=O)c2ccc(cc2)C(F)(F)F)C(C(=O)O)C(=O)O	21O	{(1r)-3-oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]propyl}propanedioic acid
C[Si]1(C[Si](c2c1ccc(c2)C3(OCCO3)c4ccc(cc4)C(=O)O)(C)C)C	21P	4-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1h-1,3-benzodisilol-5-yl)-1,3-dioxolan-2-yl]benzoic acid
CCc1c(c([nH]c1C(=O)Nc2cc(ccc2O)S(=O)(=O)N(CC)CC)C)C(=O)C	21Q	4-acetyl-n-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1h-pyrrole-2-carboxamide
CCc1cc(c(cc1NCC(=O)N2CCC(CC2)NS(=O)(=O)CC)Cl)Cl	21R	n-{1-[n-(4,5-dichloro-2-ethylphenyl)glycyl]piperidin-4-yl}ethanesulfonamide
CCS(=O)(=O)NC1CCN(CC1)C(=O)CNc2c(cc(c3c2nsn3)Cl)Cl	21S	n-{1-[n-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)glycyl]piperidin-4-yl}ethanesulfonamide
CC(C)(C)c1c(cnn1c2ccc(cc2)C(=O)O)C(=O)NC3C4CC5CC(C4)CC3C5	21T	4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic acid
CC(C)C[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cccc(c2)Cl)N	21U	d-leucyl-n-(3-chlorobenzyl)-l-prolinamide
c1cc(ccc1CC[C@H]2CC3=C(NC2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	21V	n-(4-{2-[(6s)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl]ethyl}benzoyl)-l-glutamic acid
c1cc(ccc1CNCc2[nH]ccn2)CNC(=O)c3csc4c3C(=O)NC=N4	21W	n-(4-{[(1h-imidazol-2-ylmethyl)amino]methyl}benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide
c1cc(ccc1CN)CNC(=O)c2csc3c2C(=O)NC=N3	21X	n-[4-(aminomethyl)benzyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide
CCC(=O)N1CCN(CC1)C(=O)CNc2cc(c(cc2OC)Cl)Cl	21Y	1-(4-{[(4,5-dichloro-2-methoxyphenyl)amino]acetyl}piperazin-1-yl)propan-1-one
c1ccc(cc1)C(=O)c2c(nc(s2)Nc3cccc(c3)S(=O)(=O)N)N	21Z	3-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide
C(CC=C(CCC=C(CCC=O)C=O)C=O)CC=O	220	undeca-3,7-diene-1,3,7,11-tetracarbaldehyde
c1c(cc(cc1C(F)(F)F)NC(C(C#N)C(=O)N)S)C(F)(F)F	221	(2r,3r)-3-{[3,5-bis(trifluoromethyl)phenyl]amino}-2-cyano-3-thioxopropanamide
c1ccc2c(c1)C(=O)N(C2=O)CCCN(c3ccc(cc3Cl)F)C4=NN(C(=O)C=C4)c5ccccc5Cl	222	2-(3-{(2-chloro-4-fluorophenyl)[1-(2-chlorophenyl)-6-oxo-1,6-dihydropyridazin-3-yl]amino}propyl)-1h-isoindole-1,3(2h)-dione
c1c(c2c([nH]1)c(ncn2)N)C[N@@]3C[C@@H]([C@H](C3)O)CO	223	(3r,4r)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(hydroxymethyl)pyrrolidin-3-ol
c1cc(ccc1CCC2(OCCO2)Cn3ccnc3)Cl	224	1-({2-[2-(4-chlorophenyl)ethyl]-1,3-dioxolan-2-yl}methyl)-1h-imidazole
CCOC(=O)C1=C(NC(=C([C@H]1c2cccc(c2Cl)Cl)C(=O)OC)C)C	225	felodipine
c1c(cc(c2c1c(c(cc2O)O)O)O)O	226	naphthalene-1,2,4,5,7-pentol
CN1CCN(CC1)S(=O)(=O)c2cccc3c2C[N@](CC3)c4c5cc(c(cc5ncn4)OC)OC	227	6,7-dimethoxy-4-{8-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydroisoquinolin-2(1h)-yl}quinazoline
Cc1cc(nc(n1)n2ccnc2)N3CCC[C@@H]3C(=O)NCCc4ccc5c(c4)OCO5	228	n-[2-(1,3-benzodioxol-5-yl)ethyl]-1-[2-(1h-imidazol-1-yl)-6-methylpyrimidin-4-yl]-d-prolinamide
c1c(c2c([nH]1)C(=O)NC=N2)CN[C@H](CO)[C@@H](CO)O	229	7-({[(1r,2s)-2,3-dihydroxy-1-(hydroxymethyl)propyl]amino}methyl)-3,5-dihydro-4h-pyrrolo[3,2-d]pyrimidin-4-one
c1c(c2c([nH]1)C(=O)NC=N2)CNC(CO)CO	22A	7-({[2-hydroxy-1-(hydroxymethyl)ethyl]amino}methyl)-3,5-dihydro-4h-pyrrolo[3,2-d]pyrimidin-4-one
C\C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=CC=C(C)C=C[C@H](CCC(C)(C)O)C(C)(C)O)\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@H](CCC(C)(C)O)C(C)(C)O	22B	bacterioruberin
CCC(=O)N1CCN(CC1)C(=O)COc2ccc(cc2Cl)Cl	22C	1-{4-[(2,4-dichlorophenoxy)acetyl]piperazin-1-yl}propan-1-one
c1cc(ccc1C(=O)O)NCc2cnc3c(n2)C(=O)NC(=N3)N	22D	4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoic acid
CC1=C2c3cc(ccc3N=C2C(=C4C1C(=O)NC=C4)C)OC(=O)c5ccccc5	22E	5,11-dimethyl-1-oxo-2,6-dihydro-1h-pyrido[4,3-b]carbazol-9-yl benzoate
c1cc(ccc1C(=O)c2ccncc2)F	22F	(4-fluorophenyl)(pyridin-4-yl)methanone
c1ccc(cc1)C[C@@H](CN[C@@H](Cc2ccc(cc2)O)C(=O)O)N	22G	n-[(2s)-2-amino-3-phenylpropyl]-l-tyrosine
C[C@H](C(=O)O)O[C@H]([C@H](CO)NC(=O)C)[C@@H]([C@@H](COP(=O)(O)O)O)O	22H	2-(acetylamino)-3-o-[(1r)-1-carboxyethyl]-2-deoxy-6-o-phosphono-d-glucitol
c1ccc(c(c1)C(=O)[C@@H](/C=C/C(=O)C(=O)O)F)F	22J	(3e,5r)-5-fluoro-6-(2-fluorophenyl)-2,6-dioxohex-3-enoic acid
Cn1cc(cn1)c2cnn3c2nc(c(c3N)Br)[C@@H]4CCC[C@@H](C4)N	22K	5-[(1r,3s)-3-aminocyclohexyl]-6-bromo-3-(1-methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
c1ccc(cc1)c2csc3c2C(=O)NC=N3	22L	5-phenylthieno[2,3-d]pyrimidin-4(3h)-one
[H]/N=C(\c1ccc2cc([nH]c2c1)c3ccccc3C)/N	22M	2-(2-methylphenyl)-1h-indole-6-carboximidamide
CCC(CC)O[C@@H]1C=C(C[C@@H]([C@@H]1NC(=O)C)N)C(=O)O	22N	(3r,4s,5s)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
c1cc(cc(c1)Br)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	22O	n-({(2e)-2-[(3-bromophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
c1ccc(cc1)CC[C@@](CN)(C(=O)O)O	22P	(2r)-2-(aminomethyl)-2-hydroxy-4-phenylbutanoic acid
CC(C)CC1=N/C(=C\S)/C(=O)NC1=O	22Q	(3z)-5-(2-methylpropyl)-3-(sulfanylmethylidene)pyrazine-2,6(1h,3h)-dione
Cc1c(c2cc(ccc2[nH]1)c3ccccc3)CCN	22R	2-(2-methyl-5-phenyl-1h-indole-3-yl)ethan-1-amine
c1ccc(c(c1)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Cl	22S	n-({(2e)-2-[(2-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
c1c2c(cc(c1O[C@H]3CCNC3)Cl)C(=O)NC=C2	22T	7-chloranyl-6-[(3s)-pyrrolidin-3-yl]oxy-2h-isoquinolin-1-one
c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cccc(c3)Cl)N	22U	d-phenylalanyl-n-(3-chlorobenzyl)-l-prolinamide
CC[C@H](C)[C@@H](C1=NC(=C=S)C(=O)O1)N	22W	2-[(1s,2s)-1-amino-2-methylbutyl]-4-(thioxomethylidene)-1,3-oxazol-5(4h)-one
CC(=O)NCCC[C@@](c1cccc(c1)Cl)([C@@H]2CCCN(C2)C(=O)N[C@@H](CC3CCCCC3)CNC)O	22X	(3r)-3-[(1s)-4-(acetylamino)-1-(3-chlorophenyl)-1-hydroxybutyl]-n-{(1s)-2-cyclohexyl-1-[(methylamino)methyl]ethyl}piperidine-1-carboxamide
C[C@H](c1ccccc1)Nc2c(ncc(n2)c3cc(ccc3Cl)C(=O)O)N	22Y	3-(5-amino-6-{[(1r)-1-phenylethyl]amino}pyrazin-2-yl)-4-chlorobenzoic acid
CCCCCCNc1cc(c(cc1[N+](=O)[O-])C(=O)N)NCc2cccnc2	22Z	4-(hexylamino)-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide
CO[C@@H]1C[C@@H](N(C1)C(=O)Nc2ccc(cc2)Cl)C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O	230	(2r,4r)-n~1~-(4-chlorophenyl)-n~2~-[2-fluoro-4-(2-oxopyridin-1(2h)-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
c1ccc(cc1)c2c[nH]cn2	231	4-phenyl-1h-imidazole
COc1ccc2c(c1)c3c([nH]2)ccc4c3c[n+](cc4)CCN5CCC(CC5)CCCC6CCN(CC6)CC[n+]7ccc8ccc9c(c8c7)c1cc(ccc1[nH]9)OC	232	1,3-di[[[10-methoxy-7h-pyrido[4,3-c]carbazol-2-iumyl]-ethyl]-piperidin-4-yl]-propane
COC(=O)NCCCCCC(=O)N[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O	233	[5-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylcarbamoyl)-pentyl]-carbamic acid methyl ester
COC(=O)c1c(cccc1OC\C=C\c2ccc(c(c2)c3cc(no3)C(=O)O)F)O	234	5-{2-fluoro-5-[3-(3-hydroxy-2-methoxycarbonyl-phenoxy)-propenyl]-phenyl}-isoxazole-3-carboxylic acid
CC(C)[C@H](NS(=O)(=O)c1ccccc1)[P@@](=O)(C[C@@H](c2cccc(c2)CN)C(=O)O)O	235	(2s)-2-[3-(aminomethyl)phenyl]-3-[(r)-hydroxy{(1r)-2-methyl-1-[(phenylsulfonyl)amino]propyl}phosphoryl]propanoic acid
CO[C@@H]1C[C@@H](N(C1)C(=O)Nc2ccc(cc2)Cl)C(=O)Nc3ccc(cc3F)c4ccccc4S(=O)(=O)C	237	(2r,4r)-n~1~-(4-chlorophenyl)-n~2~-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-4-methoxypyrrolidine-1,2-dicarboxamide
Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4F)Cl)C(=O)O	238	6-chloro-2-(2'-fluorobiphenyl-4-yl)-3-methylquinoline-4-carboxylic acid
[H]/N=C(/c1ccc2cc(ccc2c1)C(=O)Nc3ccc(cc3)CN)\N	239	6-[(z)-amino(imino)methyl]-n-[4-(aminomethyl)phenyl]-2-naphthamide
c1cc(c(c(c1)O)O)C=O	23A	2,3-dihydroxybenzaldehyde
C[C@H]([C@@](C)(C(=O)O)O)O	23B	(2s,3r)-2,3-dihydroxy-2-methylbutanoic acid
c1ccc2c(c1)cccc2C[C@H](C(=O)O)N3C(=O)c4ccc(cc4C3=O)C(=O)O	23C	2-[(1r)-1-carboxy-2-naphthalen-1-ylethyl]-1,3-dioxo-2,3-dihydro-1h-isoindole-5-carboxylic acid
CCn1cnc2c1nc(nc2Nc3cccc(c3)Cl)N[C@@H]4CCCC[C@H]4N	23D	n2-[(1r,2s)-2-aminocyclohexyl]-n6-(3-chlorophenyl)-9-ethyl-9h-purine-2,6-diamine
c1ccc2c(c1)-c3c(c4ccc(cc4n3CC(=O)N2)C(=O)NC5(CCCC5)C(=O)Nc6ccc(cc6)/C=C/C(=O)O)C7CCCCC7	23E	(2e)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5h-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid
c1ccc(cc1)\C=C(\C(=O)O)/N	23F	(2z)-2-amino-3-phenylacrylic acid
c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O)O[P@@](=O)(O4)O)N=C(NC2=O)N	23G	guanosine-5'-phosphate-2',3'-cyclic phosphate
CCC(C)(C)NC(=O)[C@@H](c1cccn1C)N(c2ccc(cc2)NC(=O)C)C(=O)Cn3c4ccccc4nn3	23H	n-[4-(acetylamino)phenyl]-2-(1h-benzotriazol-1-yl)-n-[(1r)-2-[(2-methylbutan-2-yl)amino]-1-(1-methyl-1h-pyrrol-2-yl)-2-oxoethyl]acetamide
CC(C)C[C@@H]([C@H](C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C)O)NC(=O)c1cc(cc(c1)[N@@](C)S(=O)(=O)C)C(=O)N[C@H](C)c2ccccc2	23I	n-[(1s,2s,4r)-2-hydroxy-1-isobutyl-5-({(1s)-1-[(isopropylamino)carbonyl]-2-methylpropyl}amino)-4-methyl-5-oxopentyl]-5-[methyl(methylsulfonyl)amino]-n'-[(1r)-1-phenylethyl]isophthalamide
c1ccc(c(c1)C(=O)C(=O)O)S	23J	oxo(2-sulfanylphenyl)acetic acid
CC(C)[C@H]1Cc2cc(ccc2S(=O)(=O)N(C1)C[C@H]([C@H](Cc3ccccc3)NC(=O)NC(C)(C)C)O)F	23K	1-tert-butyl-3-{(2s,3r)-4-[(4r)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3h)-yl]-3-hydroxy-1-phenylbutan-2-yl}urea
CC(C)[C@H]1Cc2cc(ccc2S(=O)(=O)N(C1)C[C@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CCOC4)O)F	23L	(3s)-tetrahydrofuran-3-yl {(2s,3r)-4-[(4r)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3h)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate
[H]/N=C(\c1ccc2c(c1)cc([nH]2)c3cccc(c3)C)/N	23M	2-(3-methylphenyl)-1h-indole-5-carboximidamide
c1ccc(cc1)C[C@H](C[N+](=O)[O-])C(=O)O	23N	(2r)-2-benzyl-3-nitropropanoic acid
CCC(=O)NC[C@@H](C(=O)O)N	23P	3-(propanoylamino)-l-alanine
COc1cc2c(cc1OC)[C@@H]3C[C@@H]([C@H](C[N@]3CC2)c4cccc(c4)CF)N	23Q	(2s,3s,11bs)-3-[3-(fluoromethyl)phenyl]-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2h-pyrido[2,1-a]isoquinolin-2-amine
C[C@H]1[C@@H](C/C(=C/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@@]4(C[C@H](CO4)CC(C)(C)O)C)C)/C(=C)[C@H]1O)O	23R	(1s,2s,3r,5z,7e,14beta,17alpha,23r)-23-(2-hydroxy-2-methylpropyl)-2-methyl-20,24-epoxy-9,10-secochola-5,7,10-triene-1,3-diol
c1c[se]c2c1c(c[nH]2)C[C@@H](C(=O)O)N	23S	(s)-2-amino-3-(6h-selenolo[2,3-b]-pyrrol-4-yl)-propionic acid
CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O	23T	2',3'-dideoxy-thymidine-5'-triphosphate
c1ccc(cc1)C(c2ccccc2)[C@H](C(=O)N3CCC[C@H]3C(=O)NCc4cccc(c4)Cl)N	23U	beta-phenyl-d-phenylalanyl-n-(3-chlorobenzyl)-l-prolinamide
c1cc(cc(c1)Cl)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	23V	n-({(2e)-2-[(3-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
COC(=O)C(=C)CO	23W	methyl 2-(hydroxymethyl)prop-2-enoate
CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@H]([C@@H](C)CC)NC(=O)C)O)S(=O)(=O)c2ccc3c(c2)scn3	23X	n~2~-acetyl-n-[(2s,3r)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2s)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-l-isoleucinamide
c1cc(ccc1/C=C/c2cc(cc3c2[C@@H]([C@H](O3)c4ccc(cc4)O)c5cc(cc(c5)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O	23Y	(2s,3s)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-4-[(e)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-6-yl beta-d-glucopyranoside
CC(=O)N1CCc2c(c(nn2C[C@@H](CN3CCC(CC3)C(C)(C)O)O)c4ccc(c(c4)SCC(=O)n5cccc5)C(F)(F)F)C1	23Z	(2r)-1-{5-acetyl-3-[3-{[2-oxo-2-(1h-pyrrol-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1h-pyrazo lo[4,3-c]pyridin-1-yl}-3-[4-(1-hydroxy-1-methylethyl)piperidin-1-yl]propan-2-ol
Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)OC)OC(F)(F)F)Cc4ccccc4O[C@@H](C)C(=O)O	240	(2s)-2-(2-{[1-(4-methoxybenzoyl)-2-methyl-5-(trifluoromethoxy)-1h-indol-3-yl]methyl}phenoxy)propanoic acid
Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)OC)OC(F)(F)F)Cc4cccc(c4)O[C@@H](C)C(=O)O	241	(2s)-2-(3-{[1-(4-methoxybenzoyl)-2-methyl-5-(trifluoromethoxy)-1h-indol-3-yl]methyl}phenoxy)propanoic acid
Cc1ccc(cc1c2ccc3c(c2)cnc(n3)N)C(=O)Nc4cccc(c4)C(F)(F)F	242	3-(2-aminoquinazolin-6-yl)-4-methyl-n-[3-(trifluoromethyl)phenyl]benzamide
CCCCC[C@@H](\C=C\C=C/CCCCCCCC(=O)O)O	243	(9z,11e,13s)-13-hydroxyoctadeca-9,11-dienoic acid
c1cc(ccc1c2cc3cc(cc(c3o2)CC#N)O)O	244	[5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-yl]acetonitrile
c1ccc(cc1)NC(=O)Nc2ccnc(c2)Cl	245	1-(2-chloropyridin-4-yl)-3-phenylurea
c1ccc(cc1)CNC(=O)Nc2ccnc(c2)Cl	246	1-benzyl-3-(2-chloropyridin-4-yl)urea
c1cc(ccc1[C@H](C(C(=O)O)(F)F)N)O	247	(3r)-3-amino-2,2-difluoro-3-(4-hydroxyphenyl)propanoic acid
CCn1cnc2c1nc(nc2Nc3ccc(cc3)[P@](=O)(CP(=O)(O)O)O)C4CCC(CC4)N	24A	{[(4-{[2-(4-aminocyclohexyl)-9-ethyl-9h-purin-6-yl]amino}phenyl)(hydroxy)phosphoryl]methyl}phosphonic acid
c1cc(c(cc1F)F)CO	24B	(2,4-difluorophenyl)methanol
c1cnc(nc1)OC2CCN(CC2)C(=O)NCc3ccc(cc3Cl)Cl	24D	n-(2,4-dichlorobenzyl)-4-(pyrimidin-2-yloxy)piperidine-1-carboxamide
c1ccc2c(c1)C(=O)c3c(c([nH]c3c4cccs4)Cc5ccc(cc5)O)O2	24E	3-(4-hydroxybenzyl)-1-(thiophen-2-yl)chromeno[2,3-c]pyrrol-9(2h)-one
CCOc1ccc(cc1)c2ccc(s2)S(=O)(=O)N[C@H](C3CCN(CC3)C(=O)OC(C)C)C(=O)O	24F	(2r)-({[5-(4-ethoxyphenyl)thiophen-2-yl]sulfonyl}amino){1-[(1-methylethoxy)carbonyl]piperidin-4-yl}ethanoic acid
CCCCCCCCCCC[C@H](CC(=O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)N)O	24G	uridine-5'-diphosphate-3-o-(r-3-hydroxymyristoyl)-glucosamine
c1nc2c(n1C[C@@H](CO)OCP(=O)(O)O)N=C(NC2=O)N	24H	{[(1s)-2-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-1-(hydroxymethyl)ethoxy]methyl}phosphonic acid
c1cc(ccc1C[P@@](=O)(C[C@@H](CCC(=O)O)C(=O)O)O)I	24I	(2s)-2-{[hydroxy(4-iodobenzyl)phosphoryl]methyl}pentanedioic acid
CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccccn3	24K	trans-4-{[2-(butylamino)-5-(pyridin-2-yl)pyrimidin-4-yl]amino}cyclohexanol
CC(=O)C1=C(C=C2[C@@](C1=O)(c3c(cc(c(c3O2)C(=O)NCc4cc(cc5c4cccc5)CCCC(=O)O)OC)O)C)O	24L	4-{4-[({[(9as)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-yl]carbonyl}amino)methyl]naphthalen-2-yl}butanoic acid
CC(C)C[C@@H]([C@H]([C@@H]1CCC[C@H]1C(=O)O)O)N	24M	(1r,2r)-2-[(1s,2s)-2-amino-1-hydroxy-4-methylpentyl]cyclopentanecarboxylic acid
CCC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4cn(nn4)CC(c5ccccc5)(F)F)c(ncn3)N	24N	1-[(3~{r})-3-[4-azanyl-3-[1-[2,2-bis(fluoranyl)-2-phenyl-ethyl]-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one
CC(C)C[C@@H]([C@H]([C@@H]1CC(=O)C[C@H]1C(=O)O)O)N	24O	(1r,2r)-2-[(1s,2s)-2-amino-1-hydroxy-4-methylpentyl]-4-oxocyclopentanecarboxylic acid
c1ccc(cc1)Cc2ccc(cc2)OC[C@H]3CCCN3	24P	(2r)-2-[(4-benzylphenoxy)methyl]pyrrolidine
CS(=O)(=O)NC(=O)c1ccc(c(c1)Cc2ccccc2)NC(=O)c3cccc(n3)CC4CCCCC4	24Q	6-(cyclohexylmethyl)-n-[4-(methylsulfonylcarbamoyl)-2-(phenylmethyl)phenyl]pyridine-2-carboxamide
Cn1cc(cn1)c2cnc3c(cnn3c2)c4cc(sc4)C(=O)N[C@H]5CCCC[C@H]5N	24R	n-[(1s,2r)-2-aminocyclohexyl]-4-[6-(1-methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
c1ccc(c(c1)/C=N\NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-]	24S	n-({(2z)-2-[(2-nitrophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
Cc1csc(n1)N	24T	2-amino-4-methylthiazole
[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CCC)\N	24U	1-butanoyl-n-(4-carbamimidoylbenzyl)-l-prolinamide
c1cc(ncc1N2CCNCC2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	24V	9-cyclopentyl-n-(5-piperazin-1-ylpyridin-2-yl)pyrido[4,5]pyrrolo[1,2-d]pyrimidin-2-amine
c1cc2c(c(c1)N)CCNC2	24W	1,2,3,4-tetrahydroisoquinolin-5-amine
[H]/N=C(/c1ccc(nc1)NCc2cc(ccc2c3ccc(cc3C(=O)O)C(=O)NCC(C)C)C=C)\N	24X	2'-((5-carbamimidoylpyridin-2-ylamino)methyl)-4-(isobutylcarbamoyl)-4'-vinylbiphenyl-2-carboxylic acid
Cc1cccnc1n2c(nc(n2)c3ccccc3)C4=CNC(=O)C(=C4)Cl	24Y	3-chloro-5-[1-(3-methylpyridin-2-yl)-3-phenyl-1h-1,2,4-triazol-5-yl]pyridin-2(1h)-one
c1cc(cnc1)CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])NCCCC(=O)O	24Z	4-({4-carbamoyl-2-nitro-5-[(pyridin-3-ylmethyl)amino]phenyl}amino)butanoic acid
C1CN(CCN1CCO)C[C@H](CS(=O)(=O)O)O	250	(2r)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid
[H]/N=C(\N)/NC(=O)Cn1c(ccc1c2ccccc2)c3ccccc3	251	n-[amino(imino)methyl]-2-(2,5-diphenyl-1h-pyrrol-1-yl)acetamide
CCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O	252	(1-hydroxynonane-1,1-diyl)bis(phosphonic acid)
Cc1c(ccc2c1nc(c3c2c4cc(c(cc4nc3)OC)OC)N)N	253	10,11-dimethoxy-4-methyldibenzo[c,f]-2,7-naphthyridine-3,6-diamine
CC1(CCC(c2c1ccc(c2)/C(=N/O)/c3ccc4cc(ccc4c3)C(=O)O)(C)C)C	254	6-[hydroxyimino-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphtalen-2-yl)-methyl]-naphtalene-2-carboxylic acid
CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(cccc3Nc4ccccn4)nc2	255	n-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide
c1ccc(cc1)[C@H](C(=O)O)S(=O)(=O)O	256	phenyl(sulfo)acetic acid
c1ccc(cc1)OCCCl	258	(2-chloroethoxy)benzene
CSc1ccc(cc1)[N+](=O)[O-]	259	1-(methylsulfanyl)-4-nitrobenzene
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5ncnc6N)CO[P@@](=O)(O)O[C@@H]7[C@@H]([C@H](O[C@H]7n8cnc9c8ncnc9N)COP(=O)(O)O)O)O)O)O)N	25A	5'-o-monophosphoryladenylyl(2'->5')adenylyl(2'->5')adenosine
CCCC[C@@H](CCS(=O)(=O)c1ccccc1)NC(=O)[C@@H]2CCCC[C@H]2C(=O)c3ccc(cc3)Cl	25B	(1r,2r)-2-[(4-chlorophenyl)carbonyl]-n-{(1s)-1-[2-(phenylsulfonyl)ethyl]pentyl}cyclohexanecarboxamide
Cc1cc(c(c(c1)C)NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@](C)(C4CCCCC4)C(=O)O)C	25D	2-cyclohexyl-n-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]-d-alanine
c1cc(ccc1/C=N\NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O	25E	n-({(2z)-2-[(4-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)Br	25F	2-(4-bromophenyl)-3,4-dihydroquinazolin-4-one
c1ccc(cc1)Cc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)c5[nH]nnn5	25G	n-[2-benzyl-4-(1h-tetrazol-5-yl)phenyl]-6-(cyclohexylmethyl)pyridine-2-carboxamide
c1nc2c(n1CCOCCP(=O)(O)O)N=C(NC2=O)N	25H	{2-[2-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)ethoxy]ethyl}phosphonic acid
C[C@H](c1cc(ccc1n2nccn2)F)Oc3cc(cnc3N)c4cccc5c4CNC5=O	25J	4-(6-amino-5-{(1r)-1-[5-fluoro-2-(2h-1,2,3-triazol-2-yl)phenyl]ethoxy}pyridin-3-yl)-2,3-dihydro-1h-isoindol-1-one
Cc1ccc(cc1)CN(C)c2cc(nc3n2ncn3)C	25K	n,5-dimethyl-n-(4-methylbenzyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5ncnc6N)CO[P@](=O)(O)O[C@@H]7[C@@H]([C@H](O[C@H]7n8cnc9c8ncnc9N)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O)O)O)N	25L	[[(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-4-[[(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-4-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
B(c1cc(cc(c1)C(C)(C)C)C(C)(C)C)(O)O	25N	(3,5-di-tert-butylphenyl)boronic acid
Cc1cc(n2c(n1)nc(n2)N)c3ccccc3	25O	5-methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
c1cc(ccc1OC[C@@H]2CCC[N@@]2CCCC(=O)[O-])Oc3ccc(cc3)Cl	25P	4-[(2s)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}pyrrolidin-1-yl]butanoate
COc1cccc(c1)n2c(c(c3c2nc4ccccc4n3)C(=O)N)N	25Q	2-amino-1-(3-methoxyphenyl)-1h-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Cc1cnc(cn1)C	25R	2,5-dimethylpyrazine
c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)N5CCN(CC5)c6ccc(c(c6)F)F	25S	(r)-n-(3-(1h-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(3,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide
Cc1c[nH+]c(s1)N	25T	2-amino-5-methylthiazole
CCc1c(c(nc(n1)N)N)C#CCc2cccc(c2)c3cncnc3	25U	6-ethyl-5-{3-[3-(pyrimidin-5-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine
Cc1cc(c2ccccc2[n+]1[O-])c3cccc(c3)NC(=O)C	25V	n-[3-(2-methyl-1-oxidoquinolin-4-yl)phenyl]acetamide
C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)O)O)N	25W	(1r,2s,3s,4r,5s)-5-aminocyclohexane-1,2,3,4-tetrol
B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CNS(=O)(=O)N	25X	1-(sulfamoylamino)methyl-1,2-dicarba-closo-dodecaborane
B1234B567B189B212B33%10B454B656B787C911B232B715C4%1062CNS(=O)(=O)N	25Y	1-(sulfamoylamino)methyl-1,7-dicarba-closo-dodecaborane
c1ccc(cc1)Nc2nc(c(s2)C(=O)c3cccc(c3)C(F)(F)F)N	25Z	[4-amino-2-(phenylamino)-1,3-thiazol-5-yl][3-(trifluoromethyl)phenyl]methanone
c1cc(c(c(c1)F)CBr)F	260	2-(bromomethyl)-1,3-difluorobenzene
CCOc1ccccc1O	261	2-ethoxyphenol
c1ccc(c(c1)C=O)OP(=O)(O)O	262	2-formylphenyl dihydrogen phosphate
Cc1cccc(c1)CN=[N+]=[N-]	263	1-(azidomethyl)-3-methylbenzene
c1ccc(cc1)NCC#N	264	(phenylamino)acetonitrile
c1cc(sc1)[N+](=O)[O-]	265	2-nitrothiophene
CCCSCCO	266	2-(propylsulfanyl)ethanol
Cc1cccc(c1)CN=[N+]=[N-]	267	1-(azidomethyl)-3-methylbenzene
c1ccc(cc1)OCCO	268	2-phenoxyethanol
c1ccc(cc1)[C@@H](CCCl)O	269	(1r)-3-chloro-1-phenylpropan-1-ol
CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	26A	6n-dimethyladenosine
Cc1cc(c(c(c1)C)NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(=O)O)C	26B	o-tert-butyl-n-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]-l-threonine
c1cc(c(c(c1)F)c2ccc(cc2)C(=O)O)F	26C	2',6'-difluorobiphenyl-4-carboxylic acid
c1cc(nc(c1)N)N	26D	pyridine-2,6-diamine
B123B45B167B289B31B823B966B744B622[C@]45C321CNS(=O)(=O)N	26E	7-(sulfamoylamino)methyl-7,8-dicarba-nido-undecaborane
COc1ccc(cc1)CNC(=O)[C@H]2CN(CCN2S(=O)(=O)c3ccc(cc3)OC(F)(F)F)c4cc(nc(n4)OC)OC	26F	(2r)-4-(2,6-dimethoxypyrimidin-4-yl)-n-(4-methoxybenzyl)-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazine-2-carboxamide
Cc1ncc(c(n1)N)Cc2cccc(c2)CCO	26G	2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]phenyl}ethanol
c1c(cc(c2c1C(=O)N=C(S2)N3CCN(CC3)CC4CCCCC4)NO)C(F)(F)F	26J	2-(4-(cyclohexylmethyl)piperazin-1-yl)-8-nitro-6-(trifluoromethyl)-4h-benzo[e][1,3]thiazin-4-one, bound form
CN(C)CCNc1ccn2c(n1)c(cn2)c3c[nH]nc3	26K	n,n-dimethyl-n'-[3-(1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
c1ccc2cc(ccc2c1)c3cnn4c3nc(cc4)N[C@@H]5CCCC[C@H]5N	26L	(1r,2r)-n-[3-(naphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,2-diamine
c1ccc(cc1)c2ccc(cc2)OCC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	26M	n-[(biphenyl-4-yloxy)acetyl]-beta-d-glucopyranosylamine
c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)N5CCN(CC5)c6ccc(cc6)C(F)(F)F	26N	nalpha-(2-fluoro-4-{4-[4-(trifluoromethyl)phenyl]piperazin-1-yl}benzoyl)-n-pyridin-4-yl-d-tryptophanamide
c1ccc(c(c1)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O	26O	n-({(2e)-2-[(2-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
C(C[C@@H](C(=O)O)N)CC(=O)C(=O)O	26P	2-amino-6-oxopimelic acid
c1ccc(cc1)c2ccc(cc2)/C=C/C(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	26Q	n-[(2e)-3-(biphenyl-4-yl)prop-2-enoyl]-beta-d-glucopyranosylamine
C[C@H](Cc1ccc(cc1)C(C)C)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	26R	n-{(2r)-2-methyl-3-[4-(propan-2-yl)phenyl]propanoyl}-beta-d-glucopyranosylamine
CCc1ccc(cc1)S(=O)(=O)N2CCN(C[C@@H]2C(=O)NCc3ccc(cc3)OC)c4cc(nc(n4)OC)OC	26S	(2r)-4-(2,6-dimethoxypyrimidin-4-yl)-1-[(4-ethylphenyl)sulfonyl]-n-(4-methoxybenzyl)piperazine-2-carboxamide
CC(=O)[C@H](C(=O)COP(=O)(O)O)O	26T	(3r)-3-hydroxy-2,4-dioxopentyl dihydrogen phosphate
[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CCC(C)C)\N	26U	n-(4-carbamimidoylbenzyl)-1-(4-methylpentanoyl)-l-prolinamide
c1cc2c(cc1CCCC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CCCC2	26V	n-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]-beta-d-glucopyranosylamine
CCc1ccc(cc1)[C@H](C)CC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	26W	n-[(3r)-3-(4-ethylphenyl)butanoyl]-beta-d-glucopyranosylamine
CC(C)c1ccc(cc1)/C=C/C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	26Y	n-{(2e)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}-beta-d-glucopyranosylamine
c1cc(cc(c1)N)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N	26Z	4-{[4-amino-5-(3-aminobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
C1=CC2=NC(N=C2C=C1)N	270	2h-benzoimidazol-2-ylamine
CNCc1ccccc1	271	n-methyl-1-phenylmethanamine
c1cc2c(cc1O)onc2c3ccc(cc3O)O	272	4-(6-hydroxy-benzo[d]isoxazol-3-yl)benzene-1,3-diol
[H]/N=C(\C1CCCC1)/N	273	cyclopentanecarboximidamide
Cc1c([nH]c(c1C(=O)N2CCN(CC2)C)C)\C=C/3\c4cc(ccc4NC3=O)S(=O)(=O)N(C)c5cccc(c5)Cl	274	(3z)-n-(3-chlorophenyl)-3-({3,5-dimethyl-4-[(4-methylpiperazin-1-yl)carbonyl]-1h-pyrrol-2-yl}methylene)-n-methyl-2-oxoindoline-5-sulfonamide
Cc1ccc(c[n+]1C)N	275	5-amino-1,2-dimethylpyridinium
CNC(=O)c1cc(ccn1)Oc2ccc3c(c2)[nH]c(n3)Nc4ccc(c(c4)C(F)(F)F)Cl	276	4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3h-benzimidazol-5-yl]oxy]-n-methyl-pyridine-2-carboxamide
C[C@@H](C1CCC(CC1)N(C)C(=O)C)[C@@H](C(=O)N2CC[C@@H](C2)F)N	277	n-(trans-4-{(1s,2s)-2-amino-3-[(3s)-3-fluoropyrrolidin-1-yl]-1-methyl-3-oxopropyl}cyclohexyl)-n-methylacetamide
Cn1cccc1CN	278	1-(1-methyl-1h-pyrrol-2-yl)methanamine
CCNC(=O)c1cn2c(c1C)c(ncn2)Nc3cc(ccc3C)C(=O)NOC	279	n-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CN1CCN(CC1)c2ccccc2C/N=N\C(=S)N	27A	(z)-2-[2-(4-methylpiperazin-1-yl)benzyl]diazenecarbothioamide
c1ccc2c(c1)ccc(c2Br)C(=O)O	27B	1-bromonaphthalene-2-carboxylic acid
CCCCO[P@](=O)(O)OC[C@@H]1[C@H]([C@@H]([C@H](O1)O)F)O	27C	5-o-[(s)-butoxy(hydroxy)phosphoryl]-2-deoxy-2-fluoro-alpha-d-arabinofuranose
Cc1cccc(n1)CC(=O)n2ccc3c2ccc(c3F)c4cn(c5c4c(ncn5)N)C	27D	1-[5-(4-amino-7-methyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-1h-indol-1-yl]-2-(6-methylpyridin-2-yl)ethanone
C1(=O)C2([C@@]3([C@@]4(C1([C@@]5([C@]2(C3(C(C54Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl	27E	chlordecone
c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)C#N	27F	4-(4-oxo-1,4-dihydroquinazolin-2-yl)benzonitrile
CCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2	27G	benzyl butyl benzene-1,2-dicarboxylate
CC1=CC[C@]2(CC[C@]([C@@H]2[C@H](C1)OC(=O)c3ccc(cc3)O)(C(C)C)O)C	27H	ferutinine
[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cnn(c2)C)N3CCCCCC3)N	27I	3-azanyl-5-(azepan-1-yl)-n-carbamimidoyl-6-(1-methylpyrazol-4-yl)pyrazine-2-carboxamide
C[C@H]1CCC[C@@H](CCCCCc2cc(cc(c2C(=O)O1)O)O)O	27J	alpha-zearalanol
CCCCOC(=O)c1ccc(cc1)O	27K	butyl 4-hydroxybenzoate
CC(C)(C)CC(C)(C)c1ccc(cc1)O	27L	4-(2,4,4-trimethylpentan-2-yl)phenol
c1cc(c(cc1O)O)C(=O)c2ccc(cc2O)O	27M	bis(2,4-dihydroxyphenyl)methanone
c1cc(ccc1C(c2ccc(cc2)O)C(Cl)(Cl)Cl)O	27N	4,4'-(2,2,2-trichloroethane-1,1-diyl)diphenol
C[C@H](c1ccc(c2c1cccc2)C3CCCCC3)C(=O)O	27O	(2r)-2-(4-cyclohexylnaphthalen-1-yl)propanoic acid
c1ccc(cc1)Cc2ccc(cc2)OCCN3CCCC3	27P	1-[2-(4-benzylphenoxy)ethyl]pyrrolidine
CCCCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O	27Q	n-heptyl-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
c1cc(c(c(c1)C(=O)c2ccc(cc2)Br)N)CC(=O)O	27R	[2-amino-3-(4-bromobenzoyl)phenyl]acetic acid
CCC(CC)O[C@@H]1CC(=C[C@@]2([C@H]1NC(=O)C)C(=O)N=C(S2)N)C(=O)O	27S	(5r,9r,10s)-10-(acetylamino)-2-amino-4-oxo-9-(pentan-3-yloxy)-1-thia-3-azaspiro[4.5]deca-2,6-diene-7-carboxylic acid
[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CCc3ccccc3)\N	27U	n-(4-carbamimidoylbenzyl)-1-(3-phenylpropanoyl)-l-prolinamide
[H]/N=C/1\NC(=O)[C@]2(S1)C=C(C[C@H]([C@@H]2NC(=O)C)OC(CC)CC)C(=O)O	27V	(2e,5s,9r,10s)-10-(acetylamino)-2-imino-4-oxo-9-(pentan-3-yloxy)-1-thia-3-azaspiro[4.5]dec-6-ene-7-carboxylic acid
CC[C@@H](C)[C@@H]([C@H](CC(C)C)N)O	27W	(3r,4s,5s)-5-amino-3,7-dimethyloctan-4-ol
CN1c2c(cc(c3c2c(cc(n3)C(=O)OC)C1=O)N)N	27X	ammosamide 272
C1=C(C(=O)NC=C1Br)O	27Y	5-bromo-3-hydroxypyridin-2(1h)-one
c1cc(ccc1Nc2nc(c(s2)C(=O)N)N)S(=O)(=O)N	27Z	4-amino-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide
Cn1cncc1C=O	280	1-methyl-1h-imidazole-5-carbaldehyde
CC(C)[C@H](NS(=O)(=O)c1cccc2c1nsn2)[P@](=O)(C[C@@H](c3cccc(c3)CN)C(=O)O)O	281	(2s)-2-[3-(aminomethyl)phenyl]-3-[(s)-{(1r)-1-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-2-methylpropyl}(hydroxy)phosphoryl]propanoic acid
COc1cccnc1	282	3-methoxypyridine
CC#CCOc1ccc(cc1)S(=O)(=O)[N@]2CC[C@@H](C2)S	283	(3s)-1-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}pyrrolidine-3-thiol
C[C@H]1CCNC(=C1)N	284	(4s)-4-methyl-1,4,5,6-tetrahydropyridin-2-amine
CC1[C@H](O[C@@H](N1)C)C	285	(2r,4r,5r)-2,4,5-trimethyl-1,3-oxazolidine
C[n+]1ccccc1C=C	286	2-ethenyl-1-methylpyridinium
Cc1ccc(cc1Nc2c3c(c(cn3ncn2)C(=O)N[C@@H](C)c4ccccc4)C)C(=O)NOC	287	4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methyl-n-[(1s)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
c1cc2c(cc1Cl)cc([nH]2)C(=O)NCC(N(CCO)C3CCCC3)O	288	5-chloro-1h-indole-2-carboxylic acid{[cyclopentyl-(2-hydroxy-ethyl)-carbamoyl]-methyl}-amide
C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O)O	289	d-glycero-alpha-d-manno-heptopyranose
COc1cccc(c1)C2=NC(=O)C(=CC2)O	28A	3-hydroxy-6-(3-methoxyphenyl)pyridin-2(5h)-one
c1cc(cc(c1)C2=CNC(=O)C(=C2)O)C#N	28B	3-(5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl)benzonitrile
Cc1cc(c2nncn2n1)NCCc3ccc(cc3)O	28C	4-{2-[(6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl}phenol
COc1cc(cc(c1OC)OC)c2c3cc(ccc3[nH]n2)C=C(C#N)n4cncn4	28D	(2z)-2-(1h-1,2,4-triazol-1-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1h-indazol-5-yl]prop-2-enenitrile
c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O)O)O	28E	(2r,3r)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2h-chromene-3,5,7-triol
CCNC(=O)Nc1nc2cc(c(nc2s1)OC[C@@H]3CCOC3)c4cncnc4	28F	1-ethyl-3-{6-(pyrimidin-5-yl)-5-[(3r)-tetrahydrofuran-3-ylmethoxy][1,3]thiazolo[5,4-b]pyridin-2-yl}urea
C=CCNC(=O)Nc1nc2cc(c(nc2s1)OCCN3CCOCC3)c4cccnc4	28G	1-{5-[2-(morpholin-4-yl)ethoxy]-6-(pyridin-3-yl)[1,3]thiazolo[5,4-b]pyridin-2-yl}-3-prop-2-en-1-ylurea
C[C@H]([C@@H](C(C)C)O)C(=O)O	28H	(2r,3r)-3-hydroxy-2,4-dimethylpentanoic acid
[H]/N=C(\N)/NC(=O)c1c(nc(c(n1)c2ccoc2)N3CCCCCC3)N	28I	3-azanyl-5-(azepan-1-yl)-n-carbamimidoyl-6-(furan-3-yl)pyrazine-2-carboxamide
CC[C@H](C)[C@H](C(=O)O)N	28J	d-alloisoleucine
C[C@@H]([C@@]1(CO1)/C=C/C(=O)O)O	28K	(2e)-3-{(2s)-2-[(1r)-1-hydroxyethyl]oxiran-2-yl}prop-2-enoic acid
CC(C)(C)c1cc(c2c(c1OC)cc(cn2)c3ccc(cc3)NS(=O)(=O)C)C4=CCC(=NC4=O)OC	28L	n-{4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-2,5-dihydropyridin-3-yl)quinolin-3-yl]phenyl}methanesulfonamide
CC(C)(C)c1cc(c2c(c1OC)cc(cn2)N3CC[C@@H](C3)CNS(=O)(=O)C)C4=CC=CNC4=O	28M	n-({(3s)-1-[6-tert-butyl-5-methoxy-8-(2-oxo-1,2-dihydropyridin-3-yl)quinolin-3-yl]pyrrolidin-3-yl}methyl)methanesulfonamide
c1cc2c(cc1Br)N3C(=NOC3=O)CO2	28N	8-bromo-4h-[1,2,4]oxadiazolo[3,4-c][1,4]benzoxazin-1-one
CC(C)(C)c1cc(ccc1OC)C2=CC=CNC2=O	28O	3-(3-tert-butyl-4-methoxyphenyl)pyridin-2(1h)-one
C[N@@](CCCOc1ccc(cc1)Cc2ccccc2)CCC(=O)O	28P	n-[3-(4-benzylphenoxy)propyl]-n-methyl-beta-alanine
CC(C)(C)c1cc(cc(c1OC)CCc2ccc(cc2)NS(=O)(=O)C)C3=CC=CNC3=O	28Q	n-(4-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]ethyl}phenyl)methanesulfonamide
CC(C)(C)c1cc(cc(c1OC)c2nc3cc(ccc3o2)NS(=O)(=O)C)C4=CC=CNC4=O	28R	n-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1,3-benzoxazol-5-yl}methanesulfonamide
C=CCNc1c2cc(ccc2ncn1)Br	28S	6-bromo-n-(prop-2-en-1-yl)quinazolin-4-amine
C1C[C@H](NC1)C(=O)CCC(=O)N2CCC[C@H]2C(=O)O	28T	1-{4-oxo-4-[(2s)-pyrrolidin-2-yl]butanoyl}-l-proline
CC(=CCCC(=CCC[C@](C)(C=C)O)C)C	28U	(3r,6e)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol
CC(C)(C)c1cc(cc(c1OC)/C=C/c2ccc(cc2)NS(=O)(=O)C)C3=CC=NNC3=O	28V	n-(4-{(e)-2-[3-tert-butyl-2-methoxy-5-(3-oxo-2,3-dihydropyridazin-4-yl)phenyl]ethenyl}phenyl)methanesulfonamide
CC(C)C[C@@H](C(=O)NO)NC(c1c2ccc(cc2[nH]c1C(=O)NO)Cl)C(=O)NCc3ccccc3	28W	3-[(1r)-2-(benzylamino)-1-{[(2s)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]amino}-2-oxoethyl]-6-chloro-n-hydroxy-1h-indole-2-carboxamide
C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)OCC[C@H](CO)O	28X	o-[(r)-{[(3r)-3,4-dihydroxybutyl]oxy}(hydroxy)phosphoryl]-l-threonine
c1cn-2c(n1)NC(=O)c3c2nc[nH]3	28Y	3h-imidazo[2,1-b]purin-4(5h)-one
c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)NC(=N3)N	28Z	n-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-l-gamma-glutamyl-l-glutamic acid
CC1=NC(=O)Nc2c1nc[nH]2	290	6-methyl-3,9-dihydro-2h-purin-2-one
C=CCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)[C@H](COC(=O)N)O)O)O)O	291	prop-2-en-1-yl 7-o-carbamoyl-l-glycero-alpha-d-manno-heptopyranoside
c1ccc2cc(ccc2c1)CC(=O)Nc3cc(n[nH]3)C4CC4	292	n-(3-cyclopropyl-1h-pyrazol-5-yl)-2-(2-naphthyl)acetamide
C1[C@H]([C@@H]([C@H](O[C@@H]1O)[C@H](CO)O)O)O	293	2-deoxy-beta-l-galacto-heptopyranose
c1cc(ccc1C(F)(F)F)Oc2ccc(cc2)S(=O)(=O)C3(CCOCC3)C(=O)NO	294	n-hydroxy-4-({4-[4-(trifluoromethyl)phenoxy]phenyl}sulfonyl)tetrahydro-2h-pyran-4-carboxamide
c1cc(ccc1[C@@H]([C@@H](C(=O)O)O)O)F	295	(2s,3s)-3-(4-fluorophenyl)-2,3-dihydroxypropanoic acid
COc1ccc(cc1)[C@H](C(C(=O)O)(F)F)N	296	(3r)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propanoic acid
C(CCCCCCN)CCCCCN	297	dodecane-1,12-diamine
C\C=C\C=NCCCC/N=C/C=C\C	298	n-[(1e,2z)-but-2-en-1-ylidene]-n'-[(2e)-but-2-en-1-ylidene]butane-1,4-diamine
Cc1cc(c(c(c1)C=O)OP(=O)(O)O)C=O	299	2,6-diformyl-4-methylphenyl dihydrogen phosphate
Cc1ccc(cc1N2C=NC(=C(C2=O)Cl)OCc3ccc(cc3F)F)C(=O)NCCO	29A	3-{5-chloro-4-[(2,4-difluorobenzyl)oxy]-6-oxopyrimidin-1(6h)-yl}-n-(2-hydroxyethyl)-4-methylbenzamide
c1cc(ccc1c2c[nH]nc2c3ccncc3)F	29B	4-[4-(4-fluorophenyl)-1h-pyrazol-3-yl]pyridine
c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)NC(=N3)N	29C	n-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-l-gamma-glutamyl-l-gamma-glutamyl-l-glutamic acid
c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)NC(=N3)N	29D	n-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-l-gamma-glutamyl-l-gamma-glutamyl-l-gamma-glutamyl-l-glutamic acid
CNCC[C@@H](c1cccs1)Oc2cccc3c2cccc3	29E	(3s)-n-methyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine
CC(C)(C)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2	29F	2-(4-tert-butylphenyl)-1,4-dihydroquinazolin-4-one
c1c2c(nc(nc2ncn1)N)N	29G	pyrimido[4,5-d]pyrimidine-2,4-diamine
c1c2c(ncn1)N=C(NC2=O)N	29H	2-aminopyrimido[4,5-d]pyrimidin-4(3h)-one
CNC(=O)c1ccc2c(c1)nc(n2[C@@H](CNC(=O)OCc3ccccc3)c4ccc(c(c4)OC)OC)c5ccc(c(c5)O)Br	29I	(phenylmethyl) n-[(2r)-2-[2-(4-bromanyl-3-oxidanyl-phenyl)-5-(methylcarbamoyl)benzimidazol-1-yl]-2-(3,4-dimethoxyphenyl)ethyl]carbamate
CN(C)C[C@@H](c1ccc(cc1)O)C2(CCCCC2)O	29J	4-[(1r)-2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol
CC(C)C[C@H]1c2c3c4ccccc4n(c3c5c(c2C(=O)N1)c6ccccc6[nH]5)CCCCN	29K	(7s)-12-(4-aminobutyl)-7-(2-methylpropyl)-6,7,12,13-tetrahydro-5h-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one
c1cc\2c(cc1c3cn(nc3c4ccncc4)CCO)CC/C2=N\O	29L	2-{4-[(1e)-1-(hydroxyimino)-2,3-dihydro-1h-inden-5-yl]-3-(pyridin-4-yl)-1h-pyrazol-1-yl}ethanol
CC(C)c1cc2c(c([nH]c2c(c1)NS(=O)(=O)C)CN(C)Cc3ccccc3)c4ccc(cc4OC)F	29M	n-[2-{[benzyl(methyl)amino]methyl}-3-(4-fluoro-2-methoxyphenyl)-5-(propan-2-yl)-1h-indol-7-yl]methanesulfonamide
CCC(=O)N1CN(CN(C1)C(=O)CC)C(=O)CC	29N	1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one
c1c(cc(cc1NC(=O)CBr)NC(=O)CBr)NC(=O)CBr	29O	n,n',n''-benzene-1,3,5-triyltris(2-bromoacetamide)
Cc1c(c(c([nH]1)C[C@H]2C(=C(C(=O)N2)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O	29P	3-[(5s)-5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1h-pyrrol-2-yl]methyl}-4-(carboxymethyl)-2-oxo-2,5-dihydro-1h-pyrrol-3-yl]propanoic acid
c1ccc2c(c1)C3=NCCN3[C@]2(c4ccc(cc4)Cl)O	29Q	(5r)-5-(4-chlorophenyl)-2,5-dihydro-3h-imidazo[2,1-a]isoindol-5-ol
Cn1c[n+](c2c1C(=O)NC(=N2)NCCCCC(=O)O)CCCCC(=O)O	29R	2,9-n,n-di(4-carboxybutyl)-7-n-methylguanine
Cc1c2cc(ccc2n(c1c3ccc(cc3)O)Cc4ccc(cc4)OCCN5CCCCCC5)O	29S	bazedoxifene
c1ccc(c(c1)OCCN2C=CC(=O)NC2=O)Oc3cccn4c3cc(c4)C#N	29T	8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}indolizine-2-carbonitrile
[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC)N)\N	29U	1-[(2r)-2-aminobutanoyl]-n-(4-carbamimidoylbenzyl)-l-prolinamide
C[C@H]1CC/C(=C\C(=C/C/C=C(\C)/CC(=O)O)\C)/c2c1cccc2	29V	(3e,6z,8e)-3,7-dimethyl-8-[(4s)-4-methyl-3,4-dihydronaphthalen-1(2h)-ylidene]octa-3,6-dienoic acid
Cc1ccc(cc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3n2CC(=O)O)OC	29W	(5-methoxy-2-{[(4-methylphenyl)sulfonyl]carbamoyl}-1h-indol-1-yl)acetic acid
c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)C=NC4=O)F	29X	5-{[(3s,4r)-4-(4-fluorophenyl)piperidin-3-yl]methoxy}-1h-isoindol-1-one
CN(C)Cc1ccc(cc1)[C@H]2C[C@@H]2C(=O)Nc3nc4ccc(cc4s3)c5c[nH]nc5	29Y	(1s,2s)-2-{4-[(dimethylamino)methyl]phenyl}-n-[6-(1h-pyrazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
CN(C)Cc1ccc(cc1)[C@H]2C[C@@H]2C(=O)Nc3nc4ccc(cc4s3)c5cccnc5	29Z	(1s,2s)-2-{4-[(dimethylamino)methyl]phenyl}-n-[6-(pyridin-3-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
CCCC[C@@H](CN[C@@H](CCCC)C(=O)O)N	2A0	n-[(2s)-2-aminohexyl]-l-norleucine
C[C@@H](CO)N	2A1	(2s)-2-aminopropan-1-ol
c1cc(cc(c1)Cl)N2CCN(CC2)C(=O)CCCS	2A2	4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutane-1-thiol
C[C@H](CO)N	2A3	(2r)-2-aminopropan-1-ol
CC1([C@](O[C@@](O1)(C(=O)Nc2cccc(c2)C(=O)N3CCC(CC3)c4cccc(c4)CN)C(C)(C)O)(C(=O)Nc5cccc(c5)C(=O)N6CCC(CC6)c7cccc(c7)CN)O)C	2A4	(2r,4s)-n,n'-bis[3-({4-[3-(aminomethyl)phenyl]piperidin-1-yl}carbonyl)phenyl]-4-hydroxy-2-(2-hydroxypropan-2-yl)-5,5-dimethyl-1,3-dioxolane-2,4-dicarboxamide
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)CCO)N	2A5	2'-deoxy-2'-(2-hydroxyethyl)adenosine 5'-(trihydrogen diphosphate)
c1ccc(cc1)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3	2A6	2-anilino-6-cyclohexylmethoxypurine
COc1cc(cc(c1)O)O	2A7	5-methoxy-benzene-1,3-diol
c1ccc2c(c1)CCc3cc(ccc3C2=O)Nc4ccccc4N	2A8	2-amino-phenylamino-dibenzosuberone
COc1ccc(cc1O)CO	2A9	5-(hydroxymethyl)-2-methoxyphenol
CN(C)c1cccc2c1cccc2S(=O)(=O)NCCO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=NC4=O)N)O)O	2AA	5'-o-{[({[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]oxy}phosphinato)oxy]phosphinato}cyt
c1cc(ccc1CCN)[S@@](=O)O	2AB	4-(2-aminoethyl)benzenesulfonic acid
Cc1ccc(c(c1)N)O	2AC	2-amino-p-cresol
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)N)N	2AD	2'-amino-2'-deoxyadenosine
c1ccc(c(c1)C(=O)N)N	2AE	2-amino-benzamide
c1ccc(c(c1)N)O	2AF	2-aminophenol
C=CC[C@@H](C(=O)O)N	2AG	(2s)-2-aminopent-4-enoic acid
CC(C)(C)[C@@H](C(=O)N[N@](Cc1ccc(cc1)c2ccccn2)C[C@@](Cc3ccccc3)(C(=O)N[C@H]4c5ccccc5C[C@H]4O)O)NC(=O)OC	2AH	{(1s)-1-[n'-[(2s)-2-hydroxy-2-((1s,2r)-2-hydroxy-indan-1-ylcarbamoyl)-3-phenyl-propyl]-n'-[4-(pyridine-2-yl)-benzyl]-hydrazinocarbonyl]-2,2-dimethyl-propyl}-carbamic acid methyl ester
c1cnc([nH]1)N	2AI	1h-imidazol-2-amine
C[Si](C)(c1coc2c1cc(cc2)C(=O)N3CCC(CC3)c4cccc(c4)CN)O[Si](C)(C)c5coc6c5cc(cc6)C(=O)N7CCC(CC7)c8cccc(c8)CN	2AJ	[(1,1,3,3-tetramethyldisiloxane-1,3-diyl)di-1-benzofuran-3,5-diyl]bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone)
Cc1cc2c(c(c1)Br)NC(=O)C2=O	2AK	7-bromo-5-methyl-1h-indole-2,3-dione
C1(=O)C(=NC(=O)N1)NC(=O)N	2AL	1-(2,5-dioxo-2,5-dihydro-1h-imidazol-4-yl)urea
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N	2AM	adenosine-2'-monophosphate
c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O	2AN	8-anilino-1-naphthalene sulfonate
CCCC[C@@H](CO)N	2AO	(2s)-2-aminohexan-1-ol
c1cc[nH+]c(c1)N	2AP	2-aminopyridine
c1ccc2c(c1)ccc(n2)N	2AQ	quinolin-2-amine
c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H](C3)O)COP(=O)(O)O)N	2AR	2'-deoxyaristeromycin-5'-phosphate
C[C@H]([C]O)[C@@H](C(=O)(=O)O)N	2AS	(2s,3s)-3-methyl-aspartic acid
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCC=C	2AT	2'-o-allyl thymidine-5'-monophosphate
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)N	2AU	2'-aminouridine
C[Si](C)(c1cccc2c1cc(s2)C(=O)N3CCC(CC3)c4cccc(c4)CN)O[Si](C)(C)c5cccc6c5cc(s6)C(=O)N7CCC(CC7)c8cccc(c8)CN	2AV	[(1,1,3,3-tetramethyldisiloxane-1,3-diyl)di-1-benzothiene-4,2-diyl]bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone)
C[C@](COC(=O)CCCCC(=O)O)([C@H](C(=O)O)NCCC=O)S(=O)O	2AW	6-({(2r,3s)-3-carboxy-2-methyl-3-[(3-oxopropyl)amino]-2-sulfinopropyl}oxy)-6-oxohexanoic acid
C[C@H]1CS[C@@H]2[C@H](C[C@H]1C(=O)O)C(=O)c3ccncc3C2=O	2AX	(3r,4r,5ar,11ar)-3-methyl-6,11-dioxo-2,3,4,5,5a,6,11,11a-octahydrothiepino[3,2-g]isoquinoline-4-carboxylic acid
CC(C)(C)c1cc(cc(c1OC)C2=Cc3ccc(cc3C(=O)O2)NS(=O)(=O)C)C4=CC=CNC4=O	2AY	n-{3-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1-oxo-1h-isochromen-7-yl}methanesulfonamide
Cc1ccc(cc1)C(=O)N(CCCN)[C@H](C2CC2)C3=Nn4ccc(c4C(=O)N3Cc5ccccc5)Cl	2AZ	n-(3-aminopropyl)-n-[(r)-(3-benzyl-5-chloro-4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl)(cyclopropyl)methyl]-4-methylbenzamide
Cc1c(c(c(cn1)CCP(=O)(O)O)C=O)O	2B0	[2-(4-formyl-5-hydroxy-6-methylpyridin-3-yl)ethyl]phosphonic acid
Cc1c(c(c(cn1)COP(=O)(O)O)C/N=N/c2nc3ccccc3s2)O	2B1	(4-{[(e)-1,3-benzothiazol-2-yldiazenyl]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
Cc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F	2B2	4-(2-methyl-1,3-thiazol-4-yl)-n-(3,3,3-trifluoropropyl)benzamide
CCCS(=O)(=O)NCc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F	2B3	4-(2-{[(propylsulfonyl)amino]methyl}-1,3-thiazol-4-yl)-n-(3,3,3-trifluoropropyl)benzamide
c1cc(ccc1OC(C(=O)O)C(=O)O)Br	2B4	2-(4-bromanylphenoxy)propanedioic acid
COc1ccc2c(c1)cc(n2CC(=O)O)CNC(=O)c3cc4ccccc4o3	2B5	2-(2-((benzofuran-2-carboxamido)methyl)-5-methoxy-1h-indol-1-yl)acetic acid
Cc1c(c(c(cn1)COP(=O)(O)O)C/N=N/C(=O)c2nc3ccccc3s2)O	2B6	(4-{[(e)-(1,3-benzothiazol-2-ylcarbonyl)diazenyl]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
CC(C)CCN1c2c(nc(s2)NC(=O)NCC=C)C=C(C1=O)c3cccnc3	2B7	1-[4-(3-methylbutyl)-5-oxo-6-(pyridin-3-yl)-4,5-dihydro[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-prop-2-en-1-ylurea
CCCn1cnc2c1CC[C@@](C2)(CCCN)C(=O)O	2B8	(5r)-5-(3-aminopropyl)-1-propyl-4,5,6,7-tetrahydro-1h-benzimidazole-5-carboxylic acid
CC1=C(/C(=C\N=N\C(=O)c2ccncc2)/C(=CN1)COP(=O)(O)O)O	2B9	[(4z)-5-hydroxy-6-methyl-4-{[(e)-(pyridin-4-ylcarbonyl)diazenyl]methylidene}-1,4-dihydropyridin-3-yl]methyl dihydrogen phosphate
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O[C@@H]5[C@@H](CO[P@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6ncnc7N)O)O)N	2BA	(2r,3r,3as,5r,7ar,9r,10r,10as,12r,14ar)-2,9-bis(6-amino-9h-purin-9-yl)octahydro-2h,7h-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide
CC(C)C[C@H]([C@@H](C(=O)NO)O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C	2BB	(2s,3r)-n~4~-[(1s)-1-(dimethylcarbamoyl)-2,2-dimethylpropyl]-n~1~,2-dihydroxy-3-(2-methylpropyl)butanediamide
c1ccc2cc(ccc2c1)C(=O)N/N=C/c3cc(c(c(c3O)Br)O)Br	2BC	n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]naphthalene-2-carbohydrazide
C=C[C@@H](CO)N1C=Nc2c(ncn2[C@H]3CC([C@H](O3)COP(=O)(O)O)O)C1=O	2BD	n1-(1-hydroxy-3-buten-2(s)-yl)-2'-deoxyinosine mono phosphoric acid
c1cc(ccc1C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br)Cl	2BE	4-chloro-n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
c1ccc(cc1)CN[C@@H](c2ccccc2)P(=O)(O)O	2BF	alpha-benzyl-aminobenzyl-phosphonic acid
c1ccc2c(c1)nc(s2)CN	2BG	1-(1,3-benzothiazol-2-yl)methanamine
[B-](\C=C\CC[C@@H](C(=O)O)N)(O)(O)O	2BH	[(1e,5s)-5-amino-5-carboxypent-1-enyl](trihydroxy)borate(1-)
Cc1cc(no1)NS(=O)(=O)c2cc(c(cc2Cl)Cl)Cl	2BI	2,4,5-trichloro-n-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
Cc1ccc(cc1C)Oc2cccc(c2)NC(=O)c3cc(ccc3C(=O)O)[N+](=O)[O-]	2BJ	2-{[3-(3,4-dimethylphenoxy)phenyl]carbamoyl}-4-nitrobenzoic acid
Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]([C@H](C)O)C(=O)O)O	2BK	n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-allothreonine
CC[C@H]([C@@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)C)C(=O)O	2BL	(3r)-3-ethyl-n-[(4-methylphenyl)sulfonyl]-l-aspartic acid
C(Br)Br	2BM	dibromomethane
CC1([C@@H]2CC[C@]1(NC2)C)C	2BN	(1r,4s)-2-azabornane
Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]([C@@H](C)O)C(=O)O)O	2BO	n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-threonine
c1c2c([nH]cn2)nc(n1)N	2BP	9h-purin-2-amine
c1cc(ccc1[C@](CN)(CS(=O)(=O)O)O)Cl	2BQ	2-hydroxysaclofen
c1ccc(c(c1)O)Br	2BR	2-bromophenol
CCOC(=O)c1ccc2c(c1)sc(n2)N	2BS	ethyl 2-amino-1,3-benzothiazole-6-carboxylate
CCCCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C)COP(=O)(O)O)O	2BT	2'-o-butyl-thymidine
c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)NC[C@H]([C@H](CO)O)O	2BU	(2s,3s)-n6-(2,3,4-trihydroxybutyl)-2'-deoxyadenosine mono phosphoric acid
C[C@@H](c1ccc(c(c1)Cl)Cl)NC[C@@H](CP(=O)(CC2CCCCC2)O)O	2BV	(r)-(cyclohexylmethyl)[(2s)-3-{[(1s)-1-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropyl]phosphinic acid
CCOC(OCC)P(=O)(CCCN)O	2BW	(s)-(3-aminopropyl)(diethoxymethyl)phosphinic acid
CC1(CO[C@H](CN1)CC(=O)O)C	2BX	[(2s)-5,5-dimethylmorpholin-2-yl]acetic acid
c1cc(ccc1[C@H](CN)CP(=O)(O)O)Cl	2BY	phaclofen
Cc1c-2nc(c3cc(ccc3nc2nn1)[N+](=O)[O-])c4ccccc4Cl	2BZ	5-(2-chlorophenyl)-3-methyl-7-nitropyrazolo[3,4-b][1,4]benzodiazepine
c1cc(ccc1[C@@H](CC(=O)O)CN)Cl	2C0	baclofen
Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2cc(cc(n2)NC(=O)NC)Br	2C1	n-({4-bromo-6-[(methylcarbamoyl)amino]pyridin-2-yl}carbamoyl)-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
c1ccc2c(c1)C=C[C@](O2)(C(=O)O)O	2C2	(2s)-2-hydroxy-2h-chromene-2-carboxylic acid
COc1ncc2c(n1)NC(=O)C(=C2)C(=O)Nc3cc(ccc3Cl)C(=O)N[C@H](CCN)c4cccc(c4)Cl	2C3	n-(5-{[(1r)-3-amino-1-(3-chlorophenyl)propyl]carbamoyl}-2-chlorophenyl)-2-methoxy-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide
COc1ncc2c(n1)NC(=O)C(=C2)C(=O)Nc3cc(ccc3Cl)C(=O)OC	2C4	methyl 4-chloro-3-{[(2-methoxy-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl)carbonyl]amino}benzoate
Cn1cncc1[C@@H](c2ccc(cc2)C#N)OCc3c(cc(c(n3)Cl)C#N)c4cccc(c4)Cl	2C5	2-chloro-5-(3-chloro-phenyl)-6-[(4-cyano-phenyl)-(3-methyl-3h-imidazol-4-yl)- methoxymethyl]-nicotinonitrile
c1ccc(cc1)c2nnc(o2)C3CCC(CC3)NC(=O)CCSC4=Nc5ccccc5C(=O)N4	2C6	3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]-n-[trans-4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide
c1cc2c(cc1OS(=O)(=O)N)S(=O)(=O)C(=C2)CC3CCCCCC3	2C7	2-(cycloheptylmethyl)-1,1-dioxido-1-benzothiophen-6-yl sulfamate
c1ccc(cc1)c2nnc(o2)c3ccc(cc3)NC(=O)CCC4=Nc5ccccc5C(=O)N4	2C8	3-(4-oxo-3,4-dihydroquinazolin-2-yl)-n-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
Cc1cccc(c1N)N	2C9	3-methylbenzene-1,2-diamine
CC(C)C[C@@H](C(=O)N[C@H]1CCC[N@](CC1=O)S(=O)(=O)c2ccccn2)NC(=O)c3cc4ccccc4o3	2CA	benzofuran-2-carboxylic acid {(s)-3-methyl-1-[3-oxo-1-(pyridin-2-ylsulfonyl)azepan-4-ylcarbamoyl]butyl}amide
Cc1c(c(n(n1)C)C)NS(=O)(=O)c2ccc(nc2)NCCN3CCN(CC3)C	2CB	6-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)pyridine-3-sulfonamide
c1cc2c(c[nH]c2c(c1)Cl)c3c(c([nH]c3C(=O)O)C(=O)O)c4c[nH]c5c4cccc5Cl	2CC	3,4-bis(7-chloro-1h-indol-3-yl)-1h-pyrrole-2,5-dicarboxylic acid
CCN(CC)Cc1cccc(c1)c2cc(c(c(c2)Cl)S(=O)(=O)Nc3c(nn(c3C)C)C)Cl	2CD	3,5-dichloro-3'-[(diethylamino)methyl]-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)biphenyl-4-sulfonamide
[H]/N=C(\N)/Nc1ccc(cc1)C[C@@H](C(=O)NCCOCCOCC(=O)N)NC(=O)CSc2ccc(cc2)Cl	2CE	n-[2-(2-carbamoylmethoxy-ethoxy)-ethyl]-2-[2-(4-chloro-phenylsulfanyl)-acetylamino]-3-(4-guanidino-phenyl)-propionamide
CC(=CCC/C(=C/CC/C(=C(\CO[P@@](=O)(O)OP(=O)(O)O)/F)/C)/C)C	2CF	(2e,6e)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate
C1([C@H]([C@@H]1C(=O)O)C(=O)O)[C@@H](C(=O)O)N	2CG	(1r,2r)-3-[(s)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid
c1ccc(c(c1)O)Cl	2CH	2-chlorophenol
c1ccc(cc1)C(c2ccccc2)N3CCN(CC3)C(=O)CC4(CCCC4)CC(=O)O	2CJ	(1-{2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}cyclopentyl)acetic acid
c1ccc2c(c1)CCNC2	2CK	1,2,3,4-tetrahydroisoquinoline
c1cc(c(c(c1)Cl)CC(=O)O)Cl	2CL	(2,6-dichlorophenyl)acetic acid
Cc1cccc(c1N)Cl	2CM	2-chloro-6-methyl-aniline
CCCCCCCCOc1cccc(c1)CSc2ccc(cc2C(=O)O)Br	2CN	5-bromo-2-{[3-(octyloxy)benzyl]sulfanyl}benzoic acid
C([C@@H](C(=O)O)N)SOO	2CO	s-hydroperoxycysteine
C[C@@H](CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)C(=O)O	2CP	2-carboxypropyl-coenzyme a
Cc1cc(c(cc1Cl)N)N	2CQ	4-chloro-5-methylbenzene-1,2-diamine
C[C@H]1C[C@H](C[C@@H]([C@H](/C(=C/C=C/C[C@H](OC(=O)C[C@@H]([C@H](C1)C)O)[C@@H]2CCC[C@H]2C(=O)O)/C#N)O)C)C	2CR	(1r,2r)-2-[(2s,4e,6e,8r,9s,11r,13s,15s,16s)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl]cyclopentanecarboxylic acid
CC(C)(C)Sc1c2cc(ccc2n(c1CC(C)(C)C(=O)O)Cc3ccc(cc3)Cl)OCc4ccc5ccccc5n4	2CS	3-[3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(quinolin-2-ylmethoxy)-1h-indol-2-yl]-2,2-dimethylpropanoic acid
COc1ccc(c(c1)NC(=O)COc2ccccc2P(=O)(O)O)OC	2CT	(2-{2-[(2,5-dimethoxyphenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid
Cc1c2c(c(sc2nc(c1Cl)OCC(=O)N3CCN(CC3)C)C(=O)NC4CC4)N	2CU	3-amino-5-chloro-n-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide
CCCCCCCCCC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O	2CV	hega-10
C[C@H]([C@@](C)(C(=O)N=O)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)O	2CW	4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-n-[(2s,3r)-3-hydroxy-2-methyl-1-nitroso-1-oxobutan-2-yl]benzamide
CS(=O)(=O)N(Cc1ccco1)C[C@H](Cn2c3ccccc3c4c2cccc4)O	2CX	n-[(2s)-3-(9h-carbazol-9-yl)-2-hydroxypropyl]-n-(furan-2-ylmethyl)methanesulfonamide
c1cc(cc(c1)F)OCCCOc2cccc3c2c(nc(n3)N)N	2CY	5-[3-(3-fluorophenoxy)propoxy]quinazoline-2,4-diamine
CC(=O)N[C@H]1CNC[C@@H]([C@H]([C@@H]1O)O)O	2CZ	n-[(3s,4r,5r,6s)-4,5,6-trihydroxyazepan-3-yl]acetamide
c1cc2c(c(c1)Cl)nc(s2)N	2D0	4-chloro-1,3-benzothiazol-2-amine
Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(C)C	2D1	n-(3-methylbutyl)-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
Cc1c(cc(o1)c2ccccc2)C(=O)O	2D2	2-methyl-5-phenylfuran-3-carboxylic acid
Cc1c(c(n[nH]1)c2ccno2)C(=O)OC	2D3	methyl 3-isoxazol-5-yl-5-methyl-1h-pyrazole-4-carboxylate
c1ccc2c(c1)ccc(c2c3cc(ccc3O)NS(=O)(=O)c4cccs4)O	2D4	n-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]thiophene-2-sulfonamide
c1ccc2c(c1)C[C@@H](NC2)C(=O)NCCCSC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	2D5	5'-s-(3-{[(3r)-1,2,3,4-tetrahydroisoquinolin-3-ylcarbonyl]amino}propyl)-5'-thioadenosine
c1ccc2c(c1)C(=O)NC(=N2)SCCC(=O)NC3CCC(CC3)Oc4ccc(cc4)C#N	2D6	n-[trans-4-(4-cyanophenoxy)cyclohexyl]-3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]propanamide
CC(=O)c1ccc(cc1)NC(=O)c2cn[nH]c2c3cc(c(cc3O)O)Cl	2D7	n-(4-acetylphenyl)-5-(5-chloro-2,4-dihydroxyphenyl)-1h-pyrazole-4-carboxamide
C[C@@H](CP(=O)([C@@H](C)N)O)C(=O)O	2D8	(2r)-3-[(r)-[(1s)-1-aminoethyl](hydroxy)phosphoryl]-2-methylpropanoic acid
CS(=O)(=O)c1ccc(cc1)CN2CCN(CC2)c3cn[nH]c3c4cc(c(cc4O)O)Cl	2D9	4-chloro-6-(4-{4-[4-(methylsulfonyl)benzyl]piperazin-1-yl}-1h-pyrazol-5-yl)benzene-1,3-diol
c1nc(c2c(n1)n(cn2)[C@H]3CC[C@H](O3)COP(=O)(O)O)N	2DA	2',3'-dideoxyadenosine-5'-monophosphate
[B-](O)(O)(O)OC[C@H](CO)O	2DB	(s)-(2,3-dihydroxypropoxy)trihydroxyborate
CC(C)CC[C@H]([C@@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O)O	2DC	(3alpha,8alpha,22r)-cholest-5-ene-3,20,22-triol
c1cc(ccc1CNC(=O)c2cn[nH]c2c3cc(c(cc3O)O)Cl)S(=O)(=O)N	2DD	3-(5-chloro-2,4-dihydroxy-phenyl)-1h-pyrazole-4-carboxylic acid 4-sulfamoyl-benzylamide
CC(=CCC/C(=C/CC/C=C/CO[P@](=O)(O)OP(=O)(O)O)/C)C	2DE	(2e,6e)-7,11-dimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate
C1[C@@H]([C@H](O[C@H]1NC=O)COP(=O)(O)O)O	2DF	n-(2-deoxy-beta-d-erytho-pentofuranosyl-5-phosphate) formamide
C1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O	2DG	2-deoxy-alpha-d-galactopyranose
COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)c3ccc(cc3)C(F)(F)F	2DH	[5-methoxy-2-({[4-(trifluoromethyl)phenyl]sulfonyl}carbamoyl)-1h-indol-1-yl]acetic acid
c1nc2c(n1[C@H]3CC[C@H](O3)CO)N=CNC2=O	2DI	9-[(2r,5r)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,9-dihydro-6h-purin-6-one
CC(C)(C)c1ccc(cc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3n2CC(=O)O)OC	2DJ	(2-{[(4-tert-butylphenyl)sulfonyl]carbamoyl}-5-methoxy-1h-indol-1-yl)acetic acid
COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)N3CCOCC3	2DK	{5-methoxy-2-[(morpholin-4-ylsulfonyl)carbamoyl]-1h-indol-1-yl}acetic acid
CCN(CC)C(=O)c1ccc(c(c1)OC)O	2DL	2-methyl-4-diethylamide-phenol
c1cc2ccc3ccc(c4c3c2c(c1)cc4)COC[C@@H](COP(=O)(O)O)O	2DM	2-hydroxy-3-(pyren-1-ylmethoxy)propyl dihydrogen phosphate
CC(=O)Nc1nnc(s1)S(=O)(=O)NC(=O)c2cc3cc(ccc3n2CC(=O)O)OC	2DN	[2-({[5-(acetylamino)-1,3,4-thiadiazol-2-yl]sulfonyl}carbamoyl)-5-methoxy-1h-indol-1-yl]acetic acid
CCCC[C@@H](C(O)O)N	2DO	(2s)-2-aminohexane-1,1-diol
CC(C)CCCC(C)CCCC(C)CCC[C@H](C)CCOC[C@H](CO[P@](=O)(O)OC[C@H](CO[P@@](=O)(O)OC)O)OCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C	2DP	3-[[3-methylphosphono-glycerolyl]phosphonyl]-[1,2-di[2,6,10,14-tetramethyl-hexadecan-16-yl]glycerol
COc1ccc(cc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3n2CC(=O)O)OC	2DQ	(5-methoxy-2-{[(4-methoxyphenyl)sulfonyl]carbamoyl}-1h-indol-1-yl)acetic acid
C1[C@@H]([C@H](O[C@H]1O)CO)O	2DR	2-deoxy-beta-d-erythro-pentofuranose
c1cc(c(c(c1)O)O)C(=O)N[C@H](CO)C(=O)OC[C@@H](C(=O)O)NC(=O)c2cccc(c2O)O	2DS	n-[(2,3-dihydroxyphenyl)carbonyl]-o-[(2r)-2-{[(2,3-dihydroxyphenyl)carbonyl]amino}-3-hydroxypropanoyl]-l-serine
CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)COP(=O)(O)O	2DT	3'-deoxythymidine-5'-monophosphate
COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)Cc3ccccc3	2DU	{2-[(benzylsulfonyl)carbamoyl]-5-methoxy-1h-indol-1-yl}acetic acid
COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)Cc3ccc(cc3)C(F)(F)F	2DV	[5-methoxy-2-({[4-(trifluoromethyl)benzyl]sulfonyl}carbamoyl)-1h-indol-1-yl]acetic acid
COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)c3ccc4ccccc4c3	2DW	{5-methoxy-2-[(naphthalen-2-ylsulfonyl)carbamoyl]-1h-indol-1-yl}acetic acid
CC[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H]3CCCN3C[C@H]2C(=O)N[C@@H]4CCOc5c4cccc5)NC	2DX	(3s,8ar)-2-[(2s)-2-cyclohexyl-2-{[(2s)-2-(methylamino)butanoyl]amino}acetyl]-n-[(4r)-3,4-dihydro-2h-chromen-4-yl]octahydropyrrolo[1,2-a]pyrazine-3-carboxamide
CC[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@@H]3Cc4ccccc4N3C[C@H]2C(=O)N[C@@H]5CCOc6c5cccc6)NC	2DY	(3s,10as)-2-[(2s)-2-cyclohexyl-2-{[(2s)-2-(methylamino)butanoyl]amino}acetyl]-n-[(4r)-3,4-dihydro-2h-chromen-4-yl]-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole-3-carboxamide
COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)c3ccc(cc3[N+](=O)[O-])C(F)(F)F	2DZ	[5-methoxy-2-({[2-nitro-4-(trifluoromethyl)phenyl]sulfonyl}carbamoyl)-1h-indol-1-yl]acetic acid
CCNC(=O)c1c(c([nH]n1)c2cc(c(cc2O)O)Cl)N3CCNCC3	2E1	5-(5-chloro-2,4-dihydroxyphenyl)-n-ethyl-4-piperazin-1-yl-1h-pyrazole-3-carboxamide
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]3[C@H](O2)CO[C@@](O3)(c4ccc(cc4)C(=O)O)P(=O)(O)O	2E2	1-{3,5-o-[(4-carboxyphenyl)(phosphono)methylidene]-2-deoxy-beta-d-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1h,3h)-dione
Cc1cc2c(cc1c3cc(ccc3O)\C=C\C(=O)O)C(CCC2(C)C)(C)C	2E3	(2e)-3-[4-hydroxy-3-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]prop-2-enoic acid
c1cc(cnc1)COP(=O)(O)OP(=O)(O)O	2E4	pyridin-3-ylmethyl trihydrogen diphosphate
c1cnccc1COP(=O)(O)OP(=O)(O)O	2E5	pyridin-4-ylmethyl trihydrogen diphosphate
c1ccnc(c1)COP(=O)(O)OP(=O)(O)O	2E6	pyridin-2-ylmethyl trihydrogen diphosphate
c1cc(ncc1COP(=O)(O)OP(=O)(O)O)Cl	2E7	(6-chloropyridin-3-yl)methyl trihydrogen diphosphate
CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)CC5CCN(CC5)C)N	2E8	3-(6-ethoxynaphthalen-2-yl)-1-[(1-methylpiperidin-4-yl)methyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine
C=CCc1cc(cc(c1O)CNCCCNC(=O)Nc2ccsc2)Cl	2E9	1-(3-{[5-chloro-2-hydroxy-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea
c1ccc2c(c1)C(C=N2)C[C@@H](COc3cc(cnc3)c4ccc5cnccc5c4)N	2EA	(1s)-2-(1h-indol-3-yl)-1-{[(5-isoquinolin-6-ylpyridin-3-yl)oxy]methyl}ethylamine
c1cscc1NC(=O)NCCCNCc2cc(cc(c2O)I)Cl	2EB	1-{3-[(5-chloro-2-hydroxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea
CCn1cnc2c1ncnc2N	2EC	9-ethyl-9h-purin-6-ylamine
CCCCCCCCCCCCC\C=C\[C@H]([C@@H](CO)NC(=O)C)O	2ED	n-[(1r,2r,3e)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl]acetamide
C=CCc1cc(cc(c1OCc2ccccc2)CNCCCNC(=O)Nc3ccsc3)Cl	2EE	1-(3-{[2-(benzyloxy)-5-chloro-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea
CCOc1c(cc(cc1I)Cl)CNCCCNC(=O)Nc2ccsc2	2EF	1-{3-[(5-chloro-2-ethoxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea
CCNC1=Nc2c(ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N1	2EG	2'-deoxy-n-ethylguanosine 5'-phosphate
CCCC[C@H](CC)CO	2EH	(2s)-2-ethylhexan-1-ol
C#Cc1cccc(c1)CNCCCNC(=O)Nc2ccsc2	2EJ	1-{3-[(3-ethynylbenzyl)amino]propyl}-3-thiophen-3-ylurea
c1cscc1NC(=O)NCCCNCc2cc(sc2Cl)Cl	2EK	1-(3-{[(2,5-dichlorothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea
c1c(c2c([nH]1)c(ncn2)N)CN3C[C@@H]([C@H](C3)O)CSCCOCCO	2EL	(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[2-(2-hydroxyethoxy)ethyl]sulfanyl}methyl)pyrrolidin-3- ol
Cc1c(c2ccccc2s1)CNCCCNC(=O)Nc3ccsc3	2EM	1-(3-{[(2-methyl-1-benzothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea
C=CCc1cc(cc(c1OCC=C)CNCCCNC(=O)Nc2ccsc2)Cl	2EN	1-(3-{[5-chloro-3-(prop-2-en-1-yl)-2-(prop-2-en-1-yloxy)benzyl]amino}propyl)-3-thiophen-3-ylurea
CN1C(=O)c2ccccc2C(=N1)CC(=O)Nc3ccc4c(c3)oc5c4CCCC5	2EO	2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-n-(6,7,8,9-tetrahydrodibenzo[b,d]furan-3-yl)acetamide
CC[C@H]1CCCCN1	2EP	2-ethylpiperidine
CCNC(=O)c1c(c(on1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)CN4CCOCC4	2EQ	5-(5-chloro-2,4-dihydroxyphenyl)-n-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]isoxazole-3-carboxamide
c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N\C=N/CC(=O)[C@@H]([C@@H](COP(=O)(O)O)O)O)C(=O)N	2ER	[(2r,3s,4r,5r)-5-[4-aminocarbonyl-5-[[(z)-[(3r,4r)-3,4-dihydroxy-2-oxo-5-phosphonooxy-pentyl]iminomethyl]amino]imidazol-1-yl]-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
CC1=CC(=O)Oc2c1ccc(c2CN[C@@H](CC(C)C)C(=O)O)O	2ET	n-[(7-hydroxy-4-methyl-2-oxo-2h-chromen-8-yl)methyl]-l-leucine
c1cc(sc1)S(=O)(=O)N2CCN(CC2)c3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O	2EU	1,1,1,3,3,3-hexafluoro-2-{4-[4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol
[H]/N=C/CNC(=O)[C@@H]1CN(C[C@H]1C(=O)N2CCOCC2)S(=O)(=O)c3ccccc3Cl	2EV	(3s,4s)-1-[(2-chlorophenyl)sulfonyl]-n-[(2e)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)pyrrolidine-3-carboxamide
[H]/N=C/CNC(=O)[C@@H]1CN(C[C@H]1C(=O)N2CCOCC2)S(=O)(=O)c3ccccc3	2EW	(3s,4s)-n-[(2e)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)-1-(phenylsulfonyl)pyrrolidine-3-carboxamide
CN1C(=O)[C@@]2(c3cc(ccc3O[C@@H]4[C@@H]2COCC4)c5cccnc5F)N=C1N	2EX	(4r,4a's,10a's)-2-amino-8'-(2-fluoropyridin-3-yl)-1-methyl-3',4',4a',10a'-tetrahydro-1'h-spiro[imidazole-4,10'-pyrano[4,3-b]chromen]-5(1h)-one
C[C@H](c1cn(nn1)c2ccc(cc2)Cl)OC3=CC(=O)Nc4c3cccc4	2EY	4-{(1r)-1-[1-(4-chlorophenyl)-1h-1,2,3-triazol-4-yl]ethoxy}quinolin-2(1h)-one
CCc1[nH]ccn1	2EZ	2-ethylimidazole
C/C(=N\O)/c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)C(=O)N)Cl	2F0	2-chloro-5-{[(2-{3-[(1e)-n-hydroxyethanimidoyl]phenyl}propan-2-yl)carbamoyl]amino}benzamide
CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(cc2)Br	2F1	1-(4-bromophenyl)-3-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}urea
COC	2F2	dimethyl ether
Cc1cc2c(cc1F)n(c(c2C3=CC=CNC3=O)C(=O)O)Cc4cc5ccccc5nc4Cl	2F3	1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1h-indole-2-carboxylic acid
CNc1cc(ccn1)c2cccnc2Oc3ccc(cc3)Nc4[nH]c5c(n4)ccc(c5F)F	2F4	2-{4-[(6,7-difluoro-1h-benzimidazol-2-yl)amino]phenoxy}-n-methyl-3,4'-bipyridin-2'-amine
c1ccc2c(c1)[nH]c(n2)C(=O)c3ccc(cc3)Oc4c(nccn4)N5CCOCC5	2F5	1h-benzimidazol-2-yl(4-{[3-(morpholin-4-yl)pyrazin-2-yl]oxy}phenyl)methanone
Cc1c(cn(n1)C)c2cc[nH]n2	2F6	1',3'-dimethyl-1h,1'h-3,4'-bipyrazole
CC[C@@H](C)[C@@H](C(=O)N[C@@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O)NC(=O)c1ccc(cc1)F	2F7	n-(4-fluorobenzoyl)-l-alloisoleucyl-o-[(s)-{[(1s)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]-l-serine
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC)CO)O)O	2F8	methyl 2-acetamido-2-deoxy-alpha-d-glucopyranoside
CC(C)[C@@H](C(=O)N[C@@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O)NC(=O)c1ccc(cc1)F	2F9	n-(4-fluorobenzoyl)-l-valyl-o-[(s)-{[(1s)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]-l-serine
c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)F)N	2FA	2-(6-amino-2-fluoro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol
Cc1nc2c(s1)[C@@](N=C2N)(c3ccc(cc3)OC)c4cccc(c4)c5cncnc5	2FB	(6r)-6-(4-methoxyphenyl)-2-methyl-6-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-d][1,3]thiazol-4-amine
CN1CCN(CC1)C(=O)Nc2ccc3c(c2)[C@@H](CCC3)NC(=O)c4ccccc4	2FC	n-[(8r)-8-(benzoylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-methylpiperazine-1-carboxamide
c1nc2c(nc(nc2n1[C@H]3C[C@@H]([C@H](O3)CO)O)F)N	2FD	5-(6-amino-2-fluoro-purin-9-yl)-2-hydroxymethyl-tetrahydro-furan-3-ol
c1cn2cnc3c(c2n1)ncn3[C@H]4[C@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)F	2FE	2'-fluoro-2'-deoxy-1,n6-ethenoadenine
c1ccc(cc1)C#Cc2ccc(o2)C(=O)N3CCC4(CC3)COc5c4cc(cc5)CN	2FF	(5-(aminomethyl)-2h-spiro[benzofuran-3,4'-piperidine]-1'-yl)(5-(phenylethynyl)furan-2-yl)methanone
C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O	2FG	2-deoxy-2-fluoro-beta-d-galactopyranose
Cc1c2cc3[n+]4c(cc5c(c(c6n5[Fe]47n2c(c1CCC(=O)O)c(c8[n+]7c(c6)C(=C8CCC(=O)O)C)c9ccccc9)C)C=C)C(=C3C=C)C	2FH	2-phenylheme
c1nc2c(n1[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)F)N=CNC2=O	2FI	2'-fluoro-2'-deoxyinosine
C1=CC=[N]2C(=C1)C3=CC=CC=[N]3[Ru+2]245([N]6=C(C=CC=C6)C7=[N]4C=CC=C7)[N]8=C9C(=CC=C8)c1c(nc2c3c4c6c(c2n1)C=CC=[N]6[Ru+2]12([N]4=CC=C3)([N]3=C(C=CC=C3)C3=[N]1C=CC=C3)[N]1=C(C=CC=C1)C1=[N]2C=CC=C1)C1=C9[N]5=CC=C1	2FJ	tetrakis(2,2'-bipyridine-kappa~2~n~1~,n~1'~)(mu-tetrapyrido[3,2-a:2',3'-c:3'',2''-h:2''',3'''-j]phenazine-1kappa~2~n~4~,n~5~:2kappa~2~n~13~,n~14~)diruthenium(4+) l enantiomer
[O-]=O	2FK	superoxo ion
C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)F)O)O)O	2FL	2-fluoro-2-deoxy-lactose
C(CSC(F)F)[C@@H](C(=O)O)N	2FM	s-(difluoromethyl)homocysteine
CC(C)N1CCC(CC1)C(=O)Nc2c(cccc2OCc3cc(on3)c4ccc(s4)Cl)OCCCO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O	2FN	n-(2-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-6-[3-(beta-d-glucopyranosyloxy)propoxy]phenyl)-1-(propan-2-yl)piperidine-4-carboxamide
C(=CO)C=C(C(=N)C(=O)O)C(=O)O	2FO	(2z,3z)-2-[(2z)-3-hydroxyprop-2-en-1-ylidene]-3-iminobutanedioic acid
C([C@H]([C@@H]([C@H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O	2FP	1,6-fructose diphosphate (linear form)
Cc1ncc2c(n1)N(C(=O)C(=C2)N)C	2FQ	6-amino-2,8-dimethylpyrido[2,3-d]pyrimidin-7(8h)-one
Cc1c2cnc(cc2n(n1)c3cccc(c3)CCC(=O)N)N[C@@H](C)c4ccccc4	2FR	3-[3-(3-methyl-6-{[(1s)-1-phenylethyl]amino}-1h-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide
c1ccc2c(c1)CCN([C@@H]2CN3Cc4ccccc4C3=O)C(=O)[C@@H]5CCCC[C@@H]5C(=O)O	2FS	(1s,2r)-2-{[(1s)-1-[(1-oxo-1,3-dihydro-2h-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1h)-yl]carbonyl}cyclohexanecarboxylic acid
C(CC(C(=O)O)(F)F)C(=O)O	2FT	2,2-difluoropentanedioic acid
C(=CC=O)C=O	2FU	but-2-enedial
c1ccc2c(c1)cc(s2)CC(=O)O	2FX	1-benzothiophen-2-ylacetic acid
CCC(=O)c1ccc(cc1O)O	2FY	1-(2,4-dihydroxy-phenyl)-propan-1-one
CNC(=O)O[C@H]1COc2ccc(cc2[C@@H]1NC(=O)c3ccc(cc3)F)N4CCN(CC4)C5COC5	2FZ	(3r,4s)-4-[(4-fluorobenzoyl)amino]-6-[4-(oxetan-3-yl)piperazin-1-yl]-3,4-dihydro-2h-chromen-3-yl methylcarbamate
C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CC(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N)O)O)O	2G0	(2s)-1-[(2s)-6-amino-2-({[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yl]acetyl}amino)hexanoyl]-n-[(1s)-1-carbamoyl-3-methylbutyl]pyrrolidine-2-carboxamide
Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(F)(F)F	2G1	4-(2-methyl-1,3-thiazol-4-yl)-n-(3,3,3-trifluoropropyl)benzenesulfonamide
C(CC(=O)N[C@@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O)[C@@H](C(=O)O)N	2G2	l-gamma-glutamyl-o-[(s)-{[(1s)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]-l-serine
CC(C)(C)CCN	2G3	3,3-dimethylbutan-1-amine
c1ccc(cc1)CCCCOP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O	2G4	n-[(s)-hydroxy(4-phenylbutoxy)phosphoryl]-l-glutamic acid
c1ccc(cc1)C(=O)N[C@@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O	2G5	n-[(s)-[(2s)-2-(benzoylamino)-2-carboxyethoxy](hydroxy)phosphoryl]-l-glutamic acid
CC(C)C[C@@H](C(=O)NCCC(C)(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O	2G6	p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-1-((3,3-dimethylbutyl)amino)-4-methyl-1-oxopentan-2-yl)phosphonamidic acid
CC(C)C[C@@H](C(=O)NCC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O	2G7	p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-1-(isobutylamino)-4-methyl-1-oxopentan-2-yl)phosphonamidic acid
CCCNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O	2G8	p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-4-methyl-1-oxo-1-(propylamino)pentan-2-yl)phosphonamidic acid
CC[C@H](C)CNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O	2G9	p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-4-methyl-1-(((s)-2-methylbutyl)amino)-1-oxopentan- 2-yl)phosphonamidic acid
Cc1c(c(n[nH]1)C)Sc2nnc(s2)SC	2GA	2-[(3,5-dimethyl-1h-pyrazol-4-yl)sulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole
c1ccc(cc1)c2ccc(cc2)COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O	2GB	n-[(s)-(biphenyl-4-ylmethoxy)(hydroxy)phosphoryl]-l-glutamic acid
CC(C)C[C@@H](C(=O)NCCc1ccccc1)NP(=O)(CNC(=O)OCc2ccccc2)O	2GC	p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-4-methyl-1-oxo-1-(phenethylamino)pentan-2-yl)phosphonamidic acid
CNc1cc(nc(n1)N)c2cccc(c2Cl)Cl	2GD	6-(2,3-dichlorophenyl)-n~4~-methylpyrimidine-2,4-diamine
c1cc(c(c(c1)Cl)Cl)c2cc(nc(n2)N)NC3CC3	2GE	n~4~-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine
C1[C@@H](O[C@@H](C1=O)COP(=O)(O)O)N2C=C(C(=NC2=O)N)Cl	2GF	[(2r,5r)-5-(4-amino-5-chloro-2-oxopyrimidin-1(2h)-yl)-3-oxotetrahydrofuran-2-yl]methyl dihydrogen phosphate
CCNC(=O)c1c(c(on1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC	2GG	5-(5-chloro-2,4-dihydroxyphenyl)-n-ethyl-4-(4-methoxyphenyl)isoxazole-3-carboxamide
CCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O	2GH	n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-n-pentyl-beta-alaninamide
CCC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4cn(nn4)CCc5ccccc5)c(ncn3)N	2GI	1-[(3~{r})-3-[4-azanyl-3-[1-(2-phenylethyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one
CCNC(=O)c1c(c(on1)c2cc(c(cc2O)O)C(C)C)c3ccc(cc3)CN4CCOCC4	2GJ	5-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-n-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]isoxazole-3-carboxamide
B(c1c(c2ccccc2s1)/C=C/C(=O)O)(O)O	2GK	(2e)-3-[2-(dihydroxyboranyl)-1-benzothiophen-3-yl]prop-2-enoic acid
C[C@@H]1[C@@H]([C@@H](C[C@@H](O1)O)O)OC(=O)C	2GL	4-o-acetyl-2,6-dideoxy-beta-d-galactopyranose
C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)Cc4ccccc4)NC(=O)[C@@H]5C[C@@H]6c7cccc8c7c(c[nH]8)C[C@H]6N(C5)C	2GM	dihydroergotamine
c1cc(ccc1CN2CCc3c(sc(c3C#N)NC(=O)c4cc(c(cc4Cl)Cl)S(=O)(=O)N5CCOCC5)C2)c6n[nH]nn6	2GN	n-(6-(4-(2h-tetrazol-5-yl)benzyl)-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2,4-dichloro-5-(morpholinosulfonyl)benzamide
CCC1=C(C2=Cc3c(c(c4n3[Zn]56[N]2=C1C=C7N5C8=C(C(=C(C8=C7C)O)C(=O)OC)C9=[N]6C(=C4)C(=C9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C	2GO	[methyl 9-acetyl-14-ethyl-20-hydroxy-4,8,13,18-tetramethyl-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}-3,4,20,21-tetradehydrophorbine-21-carboxylatato(2-)-kappa~4~n~23~,n~24~,n~25~,n~26~]zinc
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N	2GP	guanosine-2'-monophosphate
c1ccc2c(c1)C=C(NC2=O)N3CCCC3	2GQ	3-(pyrrolidin-1-yl)isoquinolin-1(2h)-one
c1ccc(cc1)C(=O)NCCOP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O	2GR	n-[(s)-[2-(benzoylamino)ethoxy](hydroxy)phosphoryl]-l-glutamic acid
CO[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O	2GS	2-o-methyl-alpha-d-galactopyranose
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCC#C	2GT	2'-o-propargyl thymidine-5'-monophosphate
CC1(CC(=O)Nc2c1ccc(c2)NC(=O)c3cc(ccc3F)c4ccc5c(c4)cnc(n5)N)C	2GU	5-(2-aminoquinazolin-6-yl)-n-(4,4-dimethyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-2-fluorobenzamide
CC1([C@@H](N(C(=O)O1)c2ccc(cc2)c3cc(c(nc3)N)c4ncccn4)c5ccccc5)C	2GV	(4s)-3-{4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]phenyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
c1ccc(cc1)C2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O	2GW	5-phenyl-uridine-5'-alpha-d-galactosyl-diphosphate
c1ccc(cc1)C(c2ccccc2)[C@@H](C(=O)O)N	2GX	beta-phenyl-l-phenylalanine
CC1([C@@H](N(C(=O)O1)C2CCC(CC2)c3cc(c(nc3)N)c4ncccn4)c5ccccc5)C	2GY	(4s)-3-{trans-4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]cyclohexyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
CC(C)C[C@@H](C(=O)NCC(C)(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O	2GZ	p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-4-methyl-1-(neopentylamino)-1-oxopentan-2-yl)phosphonamidic acid
CC(C)CCNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O	2H0	p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-1-(isopentylamino)-4-methyl-1-oxopentan-2-yl)phosphonamidic acid
Cc1cc(cc2c1nc(cc2)OCc3ccccc3)c4c5c(ncnc5n(n4)C(C)C)N	2H1	3-[2-(benzyloxy)-8-methylquinolin-6-yl]-1-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
c1ccc(cc1)S(=O)(=O)NCC#Cc2ccc(cc2)C(=O)NCCC(F)(F)F	2H2	4-{3-[(phenylsulfonyl)amino]prop-1-yn-1-yl}-n-(3,3,3-trifluoropropyl)benzamide
C1(C(C(C(C(C1O)O)O)O)O)O	2H3	(1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol
c1cc(c(cc1C[C@H]2c3cc(c(cc3CCN2)O)O)O)O	2H4	(1s)-1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O	2H5	3-deoxy-3-fluoro-beta-d-galactopyranose
c1ccc2cc(ccc2c1)C[C@H](CC(=O)NO)n3cc(nn3)CNC(=O)c4ccc(cc4)F	2H7	4-fluoro-n-({1-[(2r)-4-(hydroxyamino)-1-(naphthalen-2-yl)-4-oxobutan-2-yl]-1h-1,2,3-triazol-4-yl}methyl)benzamide
CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(=O)C)N)C(=O)O	2H8	(3s,4r,5r)-4-(acetylamino)-3-amino-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
c1ccc(cc1)C(=O)N[C@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O	2H9	n-[(s)-[(2r)-2-(benzoylamino)-2-carboxyethoxy](hydroxy)phosphoryl]-l-glutamic acid
C(C(=O)CO)O	2HA	dihydroxyacetone
c1cc(n2c(c1)nc(n2)NC(=O)C3CC3)c4ccc(cc4)CN5CCS(=O)(=O)CC5	2HB	n-(5-{4-[(1,1-dioxidothiomorpholin-4-yl)methyl]phenyl}[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
c1ccc(c(c1)\C=C\C(=O)O)O	2HC	(2e)-3-(2-hydroxyphenyl)acrylic acid
CCCCCCCC[P@@H](=O)OC[C@@H](COCCCC)OCCCC	2HD	(2r)-2,3-dibutoxypropyl (r)-octylphosphinate
C(CP(=O)(O)O)O	2HE	(2-hydroxyethyl)phosphonic acid
c1c([nH+]c([nH]1)F)C[C@@H](C(=O)O)N	2HF	2-fluoro-l-histidine
C(CC(=O)O)[C@H](C(=O)O)O	2HG	(2r)-2-hydroxypentanedioic acid
Cn1c(ccn1)C(=O)Nc2cccnc2	2HH	1-methyl-n-(pyridin-3-yl)-1h-pyrazole-5-carboxamide
c1cc(ccc1[C@@H]2[C@H](Oc3cc(ccc3C2=O)O)O)O	2HI	(2s,3r)-2,7-dihydroxy-3-(4-hydroxyphenyl)-2,3-dihydro-4h-chromen-4-one
CC(C)(C)c1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)C(=O)Nc3cccnc3	2HJ	4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-n-(pyridin-3-yl)benzamide
COc1cc2cc-3c([nH][nH]c3c2cc1OCCN4CCCCC4)c5ccc(cc5)c6ccc(cc6)O	2HK	4'-{6-methoxy-7-[2-(piperidin-1-yl)ethoxy]-1,2-dihydroindeno[1,2-c]pyrazol-3-yl}biphenyl-4-ol
c1ccc(cc1)C(=O)N2CCC(CC2)Cn3cnc4c3ccc(c4)C(=O)Nc5cccnc5	2HL	1-[(1-benzoylpiperidin-4-yl)methyl]-n-(pyridin-3-yl)-1h-benzimidazole-5-carboxamide
CC(C)C[C@H](CC(=O)NO)C(=O)O	2HM	(2r)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoic acid
C1[C@H]([C@@H](C(=O)[C@H]([C@]1(C(=O)O)O)Cc2c(c(c(c(c2F)F)F)F)F)O)O	2HN	(1r,2s,4s,5r)-2-(2,3,4,5,6-pentafluorophenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid
c1cc(c(cc1C(=O)N)F)F	2HO	3,4-difluorobenzamide
OP(=O)(O)[O-]	2HP	dihydrogenphosphate ion
c1cc2c(cc1Cl)C(=O)C(=O)N2	2HQ	5-chloro-1h-indole-2,3-dione
CCCCCC[P@@](=O)(O)OC[C@H](C)Cc1ccccc1	2HR	hexylphosphonic acid (r)-2-methyl-3-phenylpropyl ester
CCCCCC[P@@](=O)(O)OC[C@@H](C)Cc1ccccc1	2HS	hexylphosphonic acid (s)-2-methyl-3-phenylpropyl ester
Cc1cccc(c1)C#N	2HT	3-methylbenzonitrile
c1cc2c(cc[nH]2)cc1[N+](=O)[O-]	2HU	5-nitro-1h-indole
CC(=O)Nc1nc(cs1)C(=O)Nc2ccccc2N3CCCCC3	2HV	2-(acetylamino)-n-[2-(piperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
c1cncc(c1N2CCC[C@@H](C2)N)NC(=O)c3c(nccn3)N	2HW	3-amino-n-{4-[(3s)-3-aminopiperidin-1-yl]pyridin-3-yl}pyrazine-2-carboxamide
C[C@H]1CN(C[C@H]([C@@H]1O)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cccc4F)F)F	2HX	n-{4-[(3r,4r,5s)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CC1=C([C@H](NC(=O)N1c2cccc(c2)C(F)(F)F)c3ccc(cc3)C#N)C(=O)OCCO	2HY	2-hydroxyethyl (4r)-4-(4-cyanophenyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
c1cc(cc(c1)c2cccc(c2)[N+](=O)[O-])/C=C\C(=O)O	2HZ	(2z)-3-(3'-nitrobiphenyl-3-yl)prop-2-enoic acid
O[W]123(O[P@@]4(=O)[O+]5[W]6(O1)(O[P@@]7(=O)[O+]2[W]8(O3)([O+]4[W]9(O8)([O+]7[W]5(O6)(O9)(O)O)(O)O)(O)O)(O)O)O	2I2	pentadecaoxodiphosphopentatungstate
c1csc2n1cc(n2)Cl	2I3	6-chloranylimidazo[2,1-b][1,3]thiazole
CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)CC(C)(C)C(=O)O)C)C(=O)O	2I4	3alpha-[(3-carboxy-3-methylbutanoyl)oxy]-8alpha,9beta,10alpha,13alpha,17alpha,19beta-lup-20(29)-en-28-oic acid
CCC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4cn(nn4)c5cc(ccc5O)Br)c(ncn3)N	2I5	1-[(3~{r})-3-[4-azanyl-3-[1-(5-bromanyl-2-oxidanyl-phenyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one
Cc1cc(cc(c1)NCc2cccc(c2)CN3C[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O)c4ncccn4	2I7	(2r,3r,4r,5s)-2-(hydroxymethyl)-1-[(3-{[3-methyl-5-(pyrimidin-2-yl)anilino]methyl}phenyl)methyl]piperidine-3,4,5-triol
CCC(=O)Nc1cc(cc(c1)C(=O)NCc2cn(nn2)c3ccccc3C)c4c5ccccc5[nH]n4	2I8	3-(1~{h}-indazol-3-yl)-~{n}-[[1-(2-methylphenyl)-1,2,3-triazol-4-yl]methyl]-5-(propanoylamino)benzamide
CN(C)C(=O)/C=C\CNCCOc1ccc(cc1)Oc2c3ccc(cc3sc2c4ccc(cc4)O)O	2I9	(~{z})-4-[2-[4-[[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]oxy]phenoxy]ethylamino]-~{n},~{n}-dimethyl-but-2-enamide
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)I)N	2IA	2'-deoxy-2'-iodoadenosine 5'-(dihydrogen phosphate)
Cc1ccccc1I	2IB	2-iodobenzyl group
CN1C(=O)N(C(=O)[C@]12C[N@](C[C@H]2c3ccc(cc3)C#N)Cc4cc(cs4)C(=O)O)c5cc(cc(c5)Cl)Cl	2IC	5-[(5s,9r)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro [4.4]non-7-yl]methyl]-3-thiophenecarboxylicacid
CNc1c2c(nc(n1)I)n(cn2)[C@H]3C[C@@H]([C@]4([C@@H]3C4)COP(=O)(O)O)OP(=O)(O)O	2ID	[(1r,2s,4s,5s)-4-[2-iodo-6-(methylamino)-9h-purin-9-yl]-2-(phosphonooxy)bicyclo[3.1.0]hex-1-yl]methyl dihydrogen phosphate
CCC(=O)N1CCC[C@@H](C1)c2cc(c(nc2)Oc3ccc(cc3)Oc4ccccc4)C(=O)N	2IE	2-(4-phenoxyphenoxy)-5-[(3r)-1-(prop-2-enoyl)piperidin-3-yl]pyridine-3-carboxamide
c1cc(cc(c1)C(=O)NCCCC(=O)NCCC[C@H](C(=O)NO)NS(=O)(=O)c2ccc(cc2)OCc3cc(cc(c3)Br)Br)C(=O)NCCCC(=O)NCCC[C@H](C(=O)NO)NS(=O)(=O)c4ccc(cc4)OCc5cc(cc(c5)Br)Br	2IF	~{n}1,~{n}3-bis[4-[[(4~{r})-4-[[4-[[3,5-bis(bromanyl)phenyl]methoxy]phenyl]sulfonylamino]-5-(oxidanylamino)-5-oxidanylidene-pentyl]amino]-4-oxidanylidene-butyl]benzene-1,3-dicarboxamide
CCc1c(c(nc(n1)N)N)c2ccc3c4ccccc4n(c3c2)CCCOC	2IG	6-ethyl-5-[9-(3-methoxypropyl)-9h-carbazol-2-yl]pyrimidine-2,4-diamine
c1cn(cn1)CCCCCCn2ccnc2	2IH	1,1'-hexane-1,6-diylbis(1h-imidazole)
[H]/N=C\N1CCC[C@H](C1)c2cc(c(nc2)Oc3ccc(cc3)Oc4ccccc4)C(=O)N	2IJ	5-{(3s)-1-[(z)-iminomethyl]piperidin-3-yl}-2-(4-phenoxyphenoxy)pyridine-3-carboxamide
Cc1cc(nc(c1)N)CCc2cccc(c2)[C@H](Cc3cc(cc(n3)N)C)N	2IK	6-[(2s)-2-amino-2-{3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]phenyl}ethyl]-4-methylpyridin-2-amine
CCCCCCCCCCC[C@H](CC(=O)O)OC(=O)CCCCCCCCCCC	2IL	(3r)-3-(dodecanoyloxy)tetradecanoic acid
C1CCNC(=N)C1	2IM	piperidin-2-imine
c1ccc(cc1)CS(=O)(=O)N[C@H](CO)C(=O)NCC(=O)NCc2ccc(cc2)C(=N)N	2IN	n-(benzylsulfonyl)seryl-n~1~-{4-[amino(imino)methyl]benzyl}glycinamide
CC(C)C[C@H]1C(=O)N[C@H](C(=O)N1)CC(C)C	2IO	(3s,6s)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
[C@@H]1([C@H](C([C@@H]([C@H](C1OP(=O)(O)O)O)O)OP(=O)(O)O)O)O	2IP	d-myo-inositol-1,4-bisphosphate
CCCCCCNCC(=O)O	2IQ	2-(hexylamino)ethanoic acid
Cc1ccc(cc1Oc2nccc(n2)c3c(ncn3[C@@H]4CCN(C4)CCN(C)C)c5ccc(cc5)C(F)(F)F)C(C)C	2IR	n,n-dimethyl-2-[(3r)-3-(5-{2-[2-methyl-5-(propan-2-yl)phenoxy]pyrimidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1h-imidazol-1-yl)pyrrolidin-1-yl]ethan-1-amine
[H]/N=C(/CCC(=O)O)\C(=O)O	2IT	(2z)-2-iminopentanedioic acid
c1ccc2c(c1)cc(o2)C3=CN(C(=O)NC3=O)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	2IU	[[(2r,3s,5r)-5-[5-(1-benzofuran-2-yl)-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
c1cc2c(c(c1)F)c(c[nH]2)C[C@H]3C(=O)N4CCC[C@H]4C(=O)N3	2IV	(3~{s},8~{a}~{s})-3-[(4-fluoranyl-1~{h}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Cc1ccnc2c1cccc2NC(=O)c3ccc(cc3)N4C(=O)[C@H]5[C@@H]6C[C@H]([C@H]5C4=O)C=C6	2IW	4-[(3ar,4s,7r,7as)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2h-4,7-methanoisoindol-2-yl]-n-(4-methylquinolin-8-yl)benzamide
CN(CC(=O)N1CCN(CC1)c2nc(nc(n2)N3CCOCC3)c4cnc(nc4C(F)F)N)C(=O)C5CCN(CC5)C(=O)C=C	2IX	n-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-n-methyl-1-(prop-2-enoyl)piperidine-4-carboxamide
CSc1c(c(n[nH]1)c2ccc(cc2)Cl)C#N	2IY	3-(4-chlorophenyl)-5-methylsulfanyl-1~{h}-pyrazole-4-carbonitrile
Cc1cccc2c1nc3c(n2)C4=CC=C[N]5=C4C6=C3C=CC=[N]6[Ru+2]578([N]9=CC=Nc1c9c2c(cc1)N=CC=[N]72)[N]1=CC=Nc2c1c1c(cc2)N=CC=[N]81	2J0	(10-methyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~n~4~,n~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~n~1~,n~10~)]ruthenium(2+)
c1c2c(cc(c1Cl)C(=O)O)[nH]c3c2CCCC3	2J1	6-chloro-2,3,4,9-tetrahydro-1h-carbazole-7-carboxylic acid
c1cc2c(cc1Cl)c3c([nH]2)[C@@H](CCC3)C(=O)O	2J2	(1r)-6-chloro-2,3,4,9-tetrahydro-1h-carbazole-1-carboxylic acid
C[C@H](CO)OC[C@@H](C)OC[C@@H](C)O	2J3	(2r)-2-{[(2r)-2-{[(2r)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol
C([C@@H]1[C@H]([C@@H]([C@@H]2[C@H](O1)SC(=N2)N)O)O)O	2J4	(3ar,5r,6s,7r,7ar)-2-amino-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d][1,3]thiazole-6,7-diol
Cc1cccnc1NCc2ccccc2O	2J5	2-{[(3-methylpyridin-2-yl)amino]methyl}phenol
c1cc(c(nc1)NCc2ccc(cc2O)F)c3ncccn3	2J6	5-fluoro-2-({[3-(pyrimidin-2-yl)pyridin-2-yl]amino}methyl)phenol
c1ccc(c(c1)CNc2cc(ncn2)NCc3ccccc3O)O	2J7	2,2'-[pyrimidine-4,6-diylbis(iminomethanediyl)]diphenol
CC(C)[C@H]1c2nc(c[se]2)C(=O)N[C@H](c3nc(c[se]3)C(=O)N[C@H](c4nc(c[se]4)C(=O)N1)C(C)C)C(C)C	2J8	(4s,11s,18s)-4,11,18-tri(propan-2-yl)-6,13,20-triselena-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione
c1cc2c(cc1F)S(=O)(=O)NCN2C3CC3	2J9	4-cyclopropyl-7-fluoro-3,4-dihydro-2h-1,2,4-benzothiadiazine 1,1-dioxide
C/C(=C\CCP(=O)(O)OP(=O)(O)O)/CO	2JA	[(e)-4-methyl-5-oxidanyl-pent-3-enyl]-phosphonooxy-phosphinic acid
CCNCC(=O)O	2JC	n-ethylglycine
CC(C)(COP(=O)(O)O)[C@H](C(=O)O)O	2JD	(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoic acid
c1c(nc[nH]1)C(=O)SCCN	2JE	s-(2-aminoethyl) 1h-imidazole-4-carbothioate
CC(C)C[C@@H](C(=O)NCCCC(=O)OC[C@@H](C=O)N)O	2JF	(2s)-2-amino-3-oxopropyl 4-{[(2s)-2-hydroxy-4-methylpentanoyl]amino}butanoate
CCCCCC(=O)OC[C@@H](C=O)N	2JG	(2s)-2-amino-3-oxopropyl hexanoate
C1CC(C1)C[C@@H](C(=O)O)N	2JH	3-cyclobutyl-l-alanine
CCc1ccc2c(c1)c(c([nH]2)C)CC(=O)O	2JI	(5-ethyl-2-methyl-1h-indol-3-yl)acetic acid
C(C[C@H](C(=O)O)N)CP(=O)(O)O	2JJ	5-phosphono-d-norvaline
Cc1cc(c2c(c1)nc(cc2O)C(=O)O)C	2JK	4-hydroxy-5,7-dimethylquinoline-2-carboxylic acid
c1ccc2c(c1)ccc3c2ccc(c3)C(=O)N4CCN[C@H]([C@H]4C(=O)O)C(=O)O	2JL	(2s,3r)-1-(phenanthren-2-ylcarbonyl)piperazine-2,3-dicarboxylic acid
c1cc(c(c(c1)Br)O)c2c(c(c([nH]2)Br)Br)Br	2JM	2-bromo-6-(3,4,5-tribromo-1h-pyrrol-2-yl)phenol
CCCC[C@](C)(C(=O)O)N	2JN	2-methyl-d-norleucine
c1ccc2cnc(cc2c1)NC(=O)CCC(=O)O	2JP	4-(isoquinolin-3-ylamino)-4-oxobutanoic acid
Cc1cccc(n1)NC(=O)c2ccc(cc2C(=O)O)C(F)(F)F	2JQ	2-[(6-methylpyridin-2-yl)carbamoyl]-5-(trifluoromethyl)benzoic acid
c1cc2c(cc[nH]2)cc1c3ncc(s3)C4(CCCCC4)N5CCCC5	2JR	5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1h-indole
CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO	2JT	1,3-dihydroxypropan-2-yl octadecanoate
c1ccc2c(c1)cccc2CNC(=O)C3=CN(C(=O)NC3=O)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O	2JU	2'-deoxy-5-[(naphthalen-1-ylmethyl)carbamoyl]uridine 5'-(dihydrogen phosphate)
c1cc2ccc(c3c2c4c1ccc(c4cc3)N)NC5=Nc6c(ncn6[C@H]7C[C@@H]([C@H](O7)COP(O)(O)O)O)C(=O)N5	2JV	n-(8-aminopyren-1-yl)-2'-deoxy-5'-o-(trihydroxy-lambda~5~-phosphanyl)guanosine
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]3[C@H](O2)CO[C@@](O3)(c4ccc(cc4)[N+](=O)[O-])P(=O)(O)O	2JW	1-{2-deoxy-3,5-o-[(4-nitrophenyl)(phosphono)methylidene]-beta-d-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1h,3h)-dione
c1ccc2c(c1)OC[C@H](O2)C3=NNC(=S)N3	2JX	5-[(2r)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3h-1,2,4-triazole-3-thione
c1cc(c(c(c1)Cl)Cl)OCc2ccc(o2)C(=O)O	2JY	5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxylic acid
COc1ccc(cc1OC)Nc2nc(nc(n2)Nc3ccc4c(c3)cccn4)NCCc5ccccc5F	2JZ	n~2~-(3,4-dimethoxyphenyl)-n~4~-[2-(2-fluorophenyl)ethyl]-n~6~-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine
c1cc(c(cc1CO)C(=O)c2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5)Cl	2K0	[2-chloro-5-(hydroxymethyl)phenyl]{5-[1-(piperidin-4-yl)-1h-pyrazol-4-yl]-1h-pyrrolo[2,3-b]pyridin-3-yl}methanone
Cc1ccc(o1)C(=O)O	2K1	5-methylfuran-2-carboxylic acid
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC	2K2	pkc412
CC(C)CC(=O)CC(=O)O	2K3	3-oxo-5-methylhexanoic acid
c1cc2cn[nH]c2cc1O	2K4	1h-indazol-6-ol
Cc1cc(on1)CNc2nccc(n2)Nc3cc([nH]n3)CCc4cc(cc(c4)OC)OC	2K5	n~4~-{5-[2-(3,5-dimethoxyphenyl)ethyl]-1h-pyrazol-3-yl}-n~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CC(=O)C[C@@H](CC#N)c1ccc(cc1)OC	2K6	(3r)-3-(4-methoxyphenyl)-5-oxohexanenitrile
Cc1cc(on1)CNc2nccc(n2)Nc3cc(n[nH]3)CCc4ccc(c(c4)OC)OC	2K7	n~4~-{3-[2-(3,4-dimethoxyphenyl)ethyl]-1h-pyrazol-5-yl}-n~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
C1[C@@H](NC2=C(N1)N=C(NC2=O)N)C(=O)O	2K8	(6r)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridine-6-carboxylic acid
c1ccc(cc1)c2cccc3c2C=C4C3=NC(=O)c5n4ccn5	2K9	9-phenyl-4h-imidazo[1,2-a]indeno[1,2-e]pyrazin-4-one
c1c(c2c([nH]1)N=C(NC2=O)N)C(=O)O	2KA	2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@@H]([C@@H](C3=C)O)OCCCC#N)O)C	2KB	4-{[(1r,2s,3r,5z,7e,14beta,17alpha)-1,3,25-trihydroxy-9,10-secocholesta-5,7,10-trien-2-yl]oxy}butanenitrile
CC1(CCN(CC1)Cc2ccn3c2c(ncn3)Nc4cc(cc(c4)Br)O)N	2KC	3-({5-[(4-amino-4-methylpiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-bromophenol
COC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)c2cc(c3cc(ccc3n2)c4cccc(c4)Cl)C(=O)O	2KD	6-(3-chlorophenyl)-2-{[(2s)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}quinoline-4-carboxylic acid
CCOc1cc(ccc1OC(C)C)[C@H](C(=O)NCc2cccc(c2)S(=O)(=O)N)Nc3ccc4c(c3)ccnc4N	2KE	(2r)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-n-(3-sulfamoylbenzyl)ethanamide
CCOc1cc(ccc1OC(C)C)[C@H](C(=O)NCc2ccccc2S(=O)(=O)C(C)C)Nc3ccc4c(c3)ccnc4N	2KF	(2r)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-n-[2-(propan-2-ylsulfonyl)benzyl]ethanamide
CC1([C@@H](N(C1=O)c2cccc(c2)S(=O)(=O)C)c3ccccc3OC)C	2KG	(4s)-4-(2-methoxyphenyl)-3,3-dimethyl-1-[3-(methylsulfonyl)phenyl]azetidin-2-one
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O)O	2KH	5'-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine
[H]/N=C(\NCCC[C@@H](C(=O)O)N)/NOCC	2KJ	n~5~-(n-ethoxycarbamimidoyl)-l-ornithine
c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)N)F	2KK	n~6~-(4-fluorobenzoyl)-l-lysine
CCNC(=O)c1cc2c(nc(nc2s1)N)c3cc(c(cc3Cl)Cl)OCCN4CCCC4	2KL	2-amino-4-[2,4-dichloro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-n-ethylthieno[2,3-d]pyrimidine-6-carboxamide
[C@H]1([C@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O	2KM	l-chiro-inositol 2,3,5-trisphosphate
CCNC(=O)c1cc(cc(c1)C(=O)NCC)C(=O)NCC	2KN	n,n',n''-triethylbenzene-1,3,5-tricarboxamide
CCN(CC)c1ccc2c(c1)Oc3cc(ccc3C2c4ccccc4C(=O)OCCOCCOCCOCCn5cc(nn5)CO[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)N(CC)CC	2KO	2-{2-[2-(2-{4-[(alpha-d-mannopyranosyloxy)methyl]-1h-1,2,3-triazol-1-yl}ethoxy)ethoxy]ethoxy}ethyl 2-[3,6-bis(diethylamino)-9h-xanthen-9-yl]benzoate
c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)N)Br	2KP	n~6~-(4-bromobenzoyl)-l-lysine
C[C@](CC(=O)O)(O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	2KQ	 (3s)-3-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-oxidanyl-butanoic acid
Cc1ccc(nc1)Nc2ccc(cc2)n3c4c(cccn4)nc3OC	2KR	n-[4-(2-methoxy-3h-imidazo[4,5-b]pyridin-3-yl)phenyl]-5-methylpyridin-2-amine
c1ccc(cc1)/C=C/COC2CCC(CC2)(CN)c3ccccc3	2KS	1-(cis-1-phenyl-4-{[(2e)-3-phenylprop-2-en-1-yl]oxy}cyclohexyl)methanamine
CCC(=O)C(=O)O	2KT	2-ketobutyric acid
COCCCNc1c2c([nH]cn2)ncn1	2KU	n-(3-methoxypropyl)-9h-purin-6-amine
c1cc(cc(c1)Cl)C2(CCC(CC2)N3CCCCC3=O)CN	2KV	1-[cis-4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one
CN1C(=NNC1=O)CN2C=CC(=C(C2=O)Oc3cc(cc(c3)Cl)C#N)C(F)(F)F	2KW	3-chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile
c1ccc2c(c1)cc(c(n2)CCCCC[C@@H]3CCC[C@H]3OC(=O)O)O	2KX	(1r,2r)-2-[5-(3-hydroxyquinolin-2-yl)pentyl]cyclopentyl hydrogen carbonate
C1CCC(C1)[C@@H](C(=O)O)N	2KY	(2s)-amino(cyclopentyl)ethanoic acid
C(=C(\C(=O)O)/N)\C(=O)O	2KZ	2-amino maleic acid
C[C@H](CO)[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)O	2L0	n-[(benzyloxy)carbonyl]-l-leucyl-n-[(2r,3s,4s)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-l-leucinamide
Cc1c([nH]cn1)CN2CCc3ccccc3C2	2L1	2-[(4-methyl-1h-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
Cc1c([nH]cn1)CN2CCc3cccc(c3C2)N	2L2	2-[(4-methyl-1h-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-8-amine
C[C@]1(CC(=O)c2ccccc2C1=O)S(=O)(=O)O	2L3	(2r)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid
C(C(C(C(CO)O)O)O)NC1=C(C(=O)NC(=O)N1)/N=C/C=O	2L4	1-deoxy-1-({2,6-dioxo-5-[(e)-(2-oxoethylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-ribitol
c1ccc(c(c1)C[C@@H](C(=O)O)N)Cl	2L5	2-chloro-l-phenylalanine
C1C[C@]2(C=C[C@@H]3CC[C@H](N3C2=O)C(=O)O)NC1	2L6	(3s,6r,8as)-5-oxo-1,2,3,8a-tetrahydrospiro[indolizine-6,2'-pyrrolidine]-3-carboxylic acid
CC(C)(C(=O)Nc1ccc(cc1)C[C@@H](C(=O)O)N)Br	2L7	4-[(2-bromo-2-methylpropanoyl)amino]-l-phenylalanine
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)Cn3cc(nn3)CO[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)O)N5C=C(C(=O)NC5=O)C)O	2L8	[(2r,3s,5r)-3-[(1-{[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl}-1h-1,2,3-triazol-4-yl)methoxy]-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate 
C1CN[C@H]2[C@H]1C=C[C@H]3C=C[C@H](N3C2=O)C(=O)O	2L9	(3ar,5as,8s,10as)-10-oxo-1,2,3,3a,5a,8,10,10a-octahydrodipyrrolo[1,2-a:3',2'-e]azepine-8-carboxylic acid
c1c(c2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N)CN	2LA	2-amino-5-(aminomethyl)-7-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
C[C@@]1(CC(=O)c2ccccc2C1=O)S(=O)(=O)O	2LB	(2s)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid
Cc1cn(c2c1C(=O)CC(C2)(C)C)c3cc(c(c(c3)F)C(=O)N)N[C@H]4CCOC4	2LC	2-fluoro-6-[(3s)-tetrahydrofuran-3-ylamino]-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1h-indol-1-yl)benzamide
c1ccc(cc1)CCC2=CNC(=O)C(=C2)O	2LD	3-hydroxy-5-(2-phenylethyl)pyridin-2(1h)-one
CCCCC[C@H]1CC[C@@H](O1)O	2LE	(2r,5s)-5-pentyltetrahydrofuran-2-ol
C1[C@@H]([C@H]2[C@H](c3nc4c(n3[C@@H]1O2)N=C(NC4=O)N)OP(=O)(O)O)O	2LF	(6s,7s,8s,10r)-2-amino-8-hydroxy-4-oxo-3,6,7,8,9,10-hexahydro-4h-7,10-epoxyazepino[1,2-e]purin-6-yl dihydrogen phosphate
CCN(CC)S(=O)(=O)c1ccc(c(c1)C(=O)Nc2c(c3c(s2)CCC3)C#N)Cl	2LG	2-chloro-n-(3-cyano-5,6-dihydro-4h-cyclopenta[b]thiophen-2-yl)-5-diethylsulfamoyl-benzamide
CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H](CN[C@]2(CCc3c(cn[nH]3)C2)c4cccc(c4)C(C)(C)C)O	2LI	n-[(1s,2r)-3-{[(5s)-5-(3-tert-butylphenyl)-4,5,6,7-tetrahydro-1h-indazol-5-yl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide
CC/C=N/C1=C(NC(=O)NC1=O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O	2LJ	1-deoxy-1-({2,6-dioxo-5-[(e)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-ribitol
Cc1c(c(on1)C)c2ccc3c(c2)ncn3Cc4ccc(cc4)Cl	2LK	1-(4-chlorobenzyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1h-benzimidazole
Cc1c(c(on1)C)c2ccc3c(c2)nc(n3CCN4CCOCC4)CCc5ccccc5	2LL	5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1h-benzimidazole
Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(\CCSC)/C(=O)O)O	2LM	(2e)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-4-(methylsulfanyl)butanoic acid
CCC(=O)N1CCOc2c(cc(cc2OC[C@@H]3CCCN(C3)C)c4ccc(c(c4)OC)OC)C1	2LN	1-[7-(3,4-dimethoxyphenyl)-9-{[(3r)-1-methylpiperidin-3-yl]methoxy}-2,3-dihydro-1,4-benzoxazepin-4(5h)-yl]propan-1-one
Cc1c(c(on1)C)c2ccc3c(c2)nc(n3C[C@H](C)N4CCOCC4)CCc5ccc(c(c5)Cl)OC	2LO	2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2s)-2-(morpholin-4-yl)propyl]-1h-benzimidazole
C=CCc1ccccc1O	2LP	2-allylphenol
c1cc(ccc1C[C@@H](C(=O)O)N)NC(=O)[C@@H]2CCC/C=C/CC2	2LQ	4-{[(1r,4e)-cyclooct-4-en-1-ylcarbonyl]amino}-l-phenylalanine
CC(C)C[C@@H]([C@H]([C@]1(CO1)C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2	2LR	n-[(benzyloxy)carbonyl]-l-leucyl-n-{(1r,2s)-1-hydroxy-4-methyl-1-[(2r)-2-methyloxiran-2-yl]pentan-2-yl}-l-leucinamide
CC(C)C[C@@H]([C@H]([C@]1(CO1)C)O)N	2LS	(1r,2s)-2-amino-4-methyl-1-[(2r)-2-methyloxiran-2-yl]pentan-1-ol
c1c(cc(c(c1Cl)O)Cl)C[C@@H](C(=O)O)N	2LT	3,5-dichloro-l-tyrosine
CC(C)C[C@@H](C)N	2LU	2-amino-4-methyl-pentanyl group
CC(C)C[C@@H]([C@@H](C(=O)Nc1ccccc1)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2	2LV	n-[(benzyloxy)carbonyl]-l-leucyl-n-[(2s,3s)-2-hydroxy-5-methyl-1-oxo-1-(phenylamino)hexan-3-yl]-l-leucinamide
CC(=O)N1CCc2c(c3cc(ccc3[nH]2)Cl)C1	2LW	1-(8-chloro-1,3,4,5-tetrahydro-2h-pyrido[4,3-b]indol-2-yl)ethanone
CNC(=O)c1ccccc1OC2CCOCC2	2LX	n-methyl-2-(tetrahydro-2h-pyran-4-yloxy)benzamide
CNC(=O)c1c2c(cs1)OCCO2	2LY	n-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
c1cc2c(cc1F)c(c[nH]2)CC(=O)O	2LZ	(5-fluoro-1h-indol-3-yl)acetic acid
CC(C)C[C@@H](CCS(=O)(=O)C)N	2M0	(3s)-5-methyl-1-(methylsulfonyl)hexan-3-amine
CC(C)C[C@@H](CCS(=O)(=O)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	2M1	n-[(benzyloxy)carbonyl]-l-leucyl-n-[(3s)-5-methyl-1-(methylsulfonyl)hexan-3-yl]-l-leucinamide
Cc1cc(on1)CNc2nccc(n2)Nc3cc([nH]n3)CCc4ccccc4	2M2	n~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-n~4~-[5-(2-phenylethyl)-1h-pyrazol-3-yl]pyrimidine-2,4-diamine
Cc1c(c2cccnc2[nH]1)[C@@H]3CCN(C3)C(=O)C4(CC4)c5ccccn5	2M3	2-methyl-3-{(3s)-1-[(1-pyridin-2-ylcyclopropyl)carbonyl]pyrrolidin-3-yl}-1h-pyrrolo[2,3-b]pyridine
C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O	2M4	2-o-alpha-d-mannopyranosyl-alpha-d-mannopyranose
C[C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC)O)O)O)O	2M5	methyl 7-deoxy-l-glycero-alpha-d-manno-heptopyranoside
C[C@H]1[C@H]([C@H]([C@@H](N1)C#Cc2ccccc2)O)O	2M7	(2s,3r,4s,5s)-2-methyl-5-(phenylethynyl)pyrrolidine-3,4-diol
C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H](CO)C(=O)O)O)O)O)O	2M8	(2r)-3-hydroxy-2-(alpha-d-mannopyranosyloxy)propanoic acid
COc1cc(c2ccc3c(cc(c4c3c2c1cc4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O	2M9	8-methoxypyrene-1,3,6-trisulfonic acid
CC1=Nc2c(ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C(=N)N1	2MA	2-methyladenosine-5'-monophosphate
CC=C(C)C	2MB	2-methyl but-2-ene
CC(=C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	2MC	methacrylyl-coenzyme a
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@@H]([C@@H]([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N	2MD	guanylate-o'-phosphoric acid mono-(2-amino-5,6-dimercapto-4-oxo-3,5,6,7,8a,9,10,10a-octahydro-4h-8-oxa-1,3,9,10-tetraaza-anthracen-7-ylmethyl) ester
CCOC	2ME	methoxyethane
CNC1=Nc2c(ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C(=O)N1	2MG	2n-methylguanosine-5'-monophosphate
CC1CCC(CC1)N	2MH	cis-4-methylcyclohexanamine
Cc1cc2ccccc2[nH]1	2MI	2-methyl-1h-indole
CC(C)C[C@@H]([C@H](CO)O)N	2MJ	(2r,3s)-3-amino-5-methylhexane-1,2-diol
CC(C)C[C@@H]([C@H](CO)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	2MK	n-[(benzyloxy)carbonyl]-l-leucyl-n-[(2r,3s)-1,2-dihydroxy-5-methylhexan-3-yl]-l-leucinamide
CC(C)C[C@@](C)(C(=O)O)N	2ML	2-methylleucine
CN(C)[C@@H](CCSC)C(=O)O	2MM	n,n-dimethyl-l-methionine
Cc1ncc(n1CCO)[N+](=O)[O-]	2MN	metronidazole
O=[Mo]=O	2MO	molybdenum (iv)oxide
Cc1ccc(cc1C)O	2MP	3,4-dimethylphenol
CNc1[nH]c2c(n1)cc3c(c2CCN)N=C(NC3=O)N	2MQ	6-amino-4-(2-aminoethyl)-2-(methylamino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
CN/C(=N/C)/NCCC[C@@H](C(=O)O)N	2MR	n3, n4-dimethylarginine
CC1(N[C@@H](CS1)C(=O)O)C	2MT	(4r)-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC	2MU	2',5-dimethyluridine-5'-monophosphate
C[C@H]1[C@@H](C/C(=C/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@@]4(C[C@@H](CO4)CC(C)(C)O)C)C)/C(=C)[C@H]1O)O	2MV	(1s,2s,3r,5z,7e,14beta,17alpha)-17-[(2s,4s)-4-(2-hydroxy-2-methylpropyl)-2-methyltetrahydrofuran-2-yl]-2-methyl-9,10-secoandrosta-5,7,10-triene-1,3-diol
CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)NCCCCCCCCCNC(=O)CC[C@@H](C(=O)O)NC(=O)c4ccc(cc4)N(C)Cc5cnc6c(n5)c(nc(n6)N)N)C(=O)O	2MX	(2s,2's)-5,5'-(nonane-1,9-diyldiimino)bis(2-{[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]amino}-5-oxopentanoic acid) (non-preferred name)
Cc1cccc(c1O)C	2MY	2,6-dimethylphenol
Cc1[nH]ccn1	2MZ	2-methylimidazole
CCc1cc2c(n1Cc3ccccc3)CCCC2=O	2N0	1-benzyl-2-ethyl-1,5,6,7-tetrahydro-4h-indol-4-one
c1cc(c(cc1NC(=S)NCCCCCC=O)C(=O)O)C2c3ccc(cc3Oc4c2ccc(c4)O)O	2N2	2-(3,6-dihydroxy-9h-xanthen-9-yl)-5-{[(6-oxohexyl)carbamothioyl]amino}benzoic acid
CC(C)Oc1cc2c(cc1NS(=O)(=O)C)oc(c2C(=O)NC)c3ccc(cc3)F	2N5	2-(4-fluorophenyl)-n-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide
Cc1ccc(c(c1)C)c2c3c(c[nH]c3nc(n2)SC)C#N	2N6	4-(2,4-dimethylphenyl)-2-(methylsulfanyl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]34C[C@H]3c5cc(ccc5-c6c(c7ccc(cc7n6C4)C(=O)NS(=O)(=O)N(C)C)C8CCCCC8)OC	2N7	(1ar,12bs)-8-cyclohexyl-n-(dimethylsulfamoyl)-11-methoxy-1a-{[(1r,5s)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide
CS(=O)(=O)c1ccc(cc1Cl)[C@@H](C[C@H]2CCC(=O)C2)C(=O)Nc3cnccn3	2N8	(2r)-2-[3-chloro-4-(methylsulfonyl)phenyl]-3-[(1r)-3-oxocyclopentyl]-n-(pyrazin-2-yl)propanamide
CCOC(=O)c1cnc2ccccc2c1N	2N9	ethyl 4-aminoquinoline-3-carboxylate
c1ccc2cc(ccc2c1)CO	2NA	naphthalen-2-ylmethanol
c1ccc2c(c1)c(c(cn2)[N+](=O)[O-])N	2NB	3-nitroquinolin-4-amine
CCCC[C@@H](CN[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C	2NC	n-{(2s)-2-[(n-acetyl-l-threonyl-l-isoleucyl)amino]hexyl}-l-norleucyl-l-glutaminyl-n~5~-[amino(iminio)methyl]-l-ornithinamide
c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)N=CNC2=O	2ND	2'-deoxyinosine
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4O)O	2NE	salicylyl coa
c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)F)C(=O)N	2NF	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2r,3s,4r,5r)-5-(3-carbamoylpyridin-1-ium-1yl)- 3-fluoro-,4- hydroxyoxolan-2-yl]methyl phosphate
Cc1ccc(cc1NC(=O)c2cccc(c2)[N+](=O)[O-])C(=O)Nc3ccc(c4c3c(ccc4)S(=O)(=O)O)S(=O)(=O)O	2NG	4-({4-methyl-3-[(3-nitrobenzoyl)amino]benzoyl}amino)naphthalene-1,5-disulfonic acid
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CSC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C)NC(=O)C	2NH	n-acetyl-s-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienyl]-l-cysteinyl-d-valyl-l-isoleucyl-l-methionine
CN(CCOc1ccc(cc1)c2ccc(cc2)C#N)C(=O)NO	2NI	n-{2-[(4'-cyano-1,1'-biphenyl-4-yl)oxy]ethyl}-n'-hydroxy-n-methylurea
CN1c2ccccc2N[C@@H](CC1=O)c3ccccc3	2NJ	(4s)-1-methyl-4-phenyl-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one
CN1CCN(CC1)c2ccc(cc2)c3ccncc3c4cc(c(c(c4)F)O)F	2NK	2,6-difluoro-4-{4-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-3-yl}phenol
CNC(=O)COc1cccc(c1)Nc2cc(ccn2)Cl	2NL	2-{3-[(4-chloropyridin-2-yl)amino]phenoxy}-n-methylacetamide
COc1cccc(c1)c2cc([nH]n2)C(F)(F)F	2NM	3-(3-methoxyphenyl)-5-(trifluoromethyl)-1h-pyrazole
N(=O)[O]	2NO	nitrogen dioxide
C=C(CCC[C@@H](C(=O)O)N)C(=O)O	2NP	l-2-amino-6-methylene-pimelic acid
c1cc(ccc1F)S(=O)(=O)Nc2cc(cnc2Cl)c3ccc4c(c3)c(ccn4)N5CCOCC5	2NQ	n-{2-chloro-5-[4-(morpholin-4-yl)quinolin-6-yl]pyridin-3-yl}-4-fluorobenzenesulfonamide
COc1cccc(c1c2cccc3c2oc(n3)Nc4cc(c(c(c4)OC)OC)OC)F	2NR	7-(2-fluoro-6-methoxyphenyl)-n-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
COc1cc(cc(c1OC)OC)Nc2nc3cccc(c3o2)c4cccc5c4[nH]cn5	2NS	7-(1h-benzimidazol-7-yl)-n-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCONCO	2NT	2'-o-[2-[hydroxy(methyleneamino)oxy]ethyl thymidine-5'-monophosphate
CN(C1CC1)C(=O)Cn2cc(cn2)Br	2NU	2-(4-bromanylpyrazol-1-yl)-~{n}-cyclopropyl-~{n}-methyl-ethanamide
CCOCCOCCOCCOCCOC[C@@H](C)N	2NV	3,6,9,12,15-pentaoxaoctadecan-17-amine
c1ccc2c(c1)c(c(cn2)Br)N	2NW	3-bromoquinolin-4-amine
COP(=O)(NC(=O)c1ccccc1)OC	2NX	dimethyl benzoylphosphoramidate
CCN(CC)c1nc2ccccc2c(n1)N	2NY	n~2~,n~2~-diethylquinazoline-2,4-diamine
CC(=O)Cn1cnc2c1cccc2	2NZ	1-(1h-benzimidazol-1-yl)propan-2-one
c1ccc2c(c1)ncn2CCC(=O)N	2O0	3-(1h-benzimidazol-1-yl)propanamide
c1ccc2c(c1)c3c(cn2)C(=O)CCN3	2O1	2,3-dihydrobenzo[h][1,6]naphthyridin-4(1h)-one
c1ccc(cc1)[C@]2(OC[C@@H]3[C@H](O2)C[C@@H](O3)N4C=C(C(=O)NC4=O)/C=C/P(=O)(O)O)P(=O)(O)O	2O2	1-{2-deoxy-3,5-o-[phenyl(phosphono)methylidene]-beta-d-threo-pentofuranosyl}-5-[(e)-2-phosphonoethenyl]pyrimidine-2,4(1h,3h)-dione
C[C@@H]1C(=O)Nc2cccc(c2N1)C(=O)NCCCN3CCCc4c3cccc4	2O3	(3r)-n-[3-(3,4-dihydroquinolin-1(2h)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
C[C@@H]1C(=O)Nc2cccc(c2N1)C(=O)NCCCN3CCCc4c3cc(cc4)OC	2O4	(3r)-n-[3-(7-methoxy-3,4-dihydroquinolin-1(2h)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
c1cc(cc(c1)Cl)c2nc(nc(n2)Nc3ccc(cc3)CC(=O)O)C4CC4	2O5	(4-{[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino}phenyl)acetic acid
c1cc2c(cc1C(F)(F)F)c(no2)N	2O6	5-(trifluoromethyl)-1,2-benzoxazol-3-amine
c1cc(ccc1C[C@]23CCCN2C(=O)C(=C3C#N)c4cc(cc(c4)Cl)Cl)C#N	2O7	7a-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7a-tetrahydro-1h-pyrrolo[1,2-a]pyrrole-7-carbonitrile
c1cc(ccc1C(=O)N)SC(F)(F)F	2O8	4-[(trifluoromethyl)sulfanyl]benzamide
c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)N	2OA	2'deoxyadenosine-5'-triphosphate
CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C	2OB	cholesteryl oleate
COc1cc2c(cc1OCCCN3CCCC3)N=C(C24CCC4)N	2OD	5'-methoxy-6'-[3-(pyrrolidin-1-yl)propoxy]spiro[cyclobutane-1,3'-indol]-2'-amine
Cc1cc(cc(n1)c2ccccc2)Oc3cccc(c3)O	2OE	3-[(2-methyl-6-phenylpyridin-4-yl)oxy]phenol
[OH2][Fe+2][OH2]	2OF	ferrous ion, 2 waters coordinated
C(CC(=O)O)C(=O)C(=O)O	2OG	2-oxo-glutaric acid
CC(C)(c1ccc(cc1)O)c2ccc(cc2)O	2OH	4,4'-propane-2,2-diyldiphenol
COc1ccc2c3c1[nH]c(c3CCNC2=O)Cc4ccc(cc4)Cl	2OI	2-[(4-chlorophenyl)methyl]-5-methoxy-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one
CC(C)N1CCC(CC1)C(=O)Nc2c(cccc2OCc3cc(on3)c4ccc(s4)Cl)OCCCO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C	2OJ	n-(2-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-6-{3-[(2,3,4,6-tetra-o-acetyl-beta-d-glucopyranosyl)oxy]propoxy}phenyl)-1-(propan-2-yl)piperidine-4-carboxamide
Cc1cc(cc(c1)Oc2cc(nc(c2)c3ccc(cc3)OC)C)OC	2OK	4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)-6-methylpyridine
COCCNc1nc2ccc(cc2n1c3ccnc(n3)N)C#CC4(CCCCC4)O	2OL	1-({1-(2-aminopyrimidin-4-yl)-2-[(2-methoxyethyl)amino]-1h-benzimidazol-6-yl}ethynyl)cyclohexanol
C1[C@@H](N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)O	2OM	5,6-dihydroorotidine 5'-monophosphate
c1[nH]c2c(n1)C(=O)NC(=N2)S	2ON	2-sulfanyl-1,9-dihydro-6h-purin-6-one
CCNc1nc2ccc(cc2n1c3ncnc(n3)N)C#CC(C)(C)O	2OO	4-[1-(4-amino-1,3,5-triazin-2-yl)-2-(ethylamino)-1h-benzimidazol-6-yl]-2-methylbut-3-yn-2-ol
C[C@@H](C(=O)O)O	2OP	(2s)-2-hydroxypropanoic acid
Cc1nc2ccc(cc2n1c3ncnc(n3)N)C#CC4(CCCCC4)O	2OQ	1-{[1-(4-amino-1,3,5-triazin-2-yl)-2-methyl-1h-benzimidazol-6-yl]ethynyl}cyclohexanol
C([C@H]([C@@H]([C@@H](C(=O)O)N)O)O)NC(=[NH2+])N	2OR	amino{[(2r,3r,4s)-4-amino-2,3,5-trihydroxy-5-oxopentyl]amino}methaniminium
CCCCCCCC(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)CO)O	2OS	3-n-octanoylsucrose
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCON(C)C	2OT	2'-o-[2-(n,n-dimethylaminooxy)ethyl] thymidine-5'-monophosphate
c1ccc(cc1)COC2[C@@H]([C@H](C([C@H]([C@@H]2OP(=O)(O)O)OP(=O)(O)O)OC(=O)CP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	2OU	(2-{[(1s,2r,3r,4r,5s,6s)-4-(benzyloxy)-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl]oxy}-2-oxoethyl)phosphonic acid
c1ccc(cc1)COC2[C@@H]([C@H](C([C@H]([C@@H]2OP(=O)(O)O)OP(=O)(O)O)OCc3ccccc3)OP(=O)(O)O)OP(=O)(O)O	2OV	(1r,2r,3r,4s,5s,6s)-3,6-bis(benzyloxy)cyclohexane-1,2,4,5-tetrayl tetrakis[dihydrogen (phosphate)]
Cc1ccc(cn1)NC(=O)Nc2cccc(c2F)CN3CCN(CC3)C(=O)OC	2OW	methyl 4-(2-fluoro-3-{[(6-methylpyridin-3-yl)carbamoyl]amino}benzyl)piperazine-1-carboxylate
C[C@H]1[C@H]([C@H]([C@@H](N1)c2cn(nn2)c3ccccc3)O)O	2OX	(2s,3r,4s,5s)-2-methyl-5-(1-phenyl-1h-1,2,3-triazol-4-yl)pyrrolidine-3,4-diol
Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCCCN)[C@@H](CCl)O	2OY	n-[(2s,3s)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-4-methylbenzenesulfonamide (bound form)
c1cc(ccc1NC(=S)N2C[C@@H]([C@H]([C@H]([C@H]2CO)O)O)O)F	2OZ	(2r,3s,4r,5s)-n-(4-fluorophenyl)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidine-1-carbothioamide
C1C[C@H](N(C1)C(=O)CO[P@](=O)(O)OP(=O)(O)O)C(=O)O	2P0	1-({[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}acetyl)-l-proline
c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4c[nH]nc4nc3)C(F)(F)F	2P1	n-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}benzyl)-2h-pyrazolo[3,4-b]pyridine-5-carboxamide
CC(C)(C)[C@H]1CC[C@H](N1C(=O)CCCc2ccccc2)C(=O)N3CCC[C@H]3[C@H](CO)O	2P2	1-[(2r,5s)-2-tert-butyl-5-({(2s)-2-[(1r)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
c1ccc2c(c1)OC[C@@H](O2)C3=NNC(=S)N3	2P3	5-[(2s)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3h-1,2,4-triazole-3-thione
c1ccc(cc1)CNC(=O)C2=CCC[C@H]2C(=O)N3CCC[C@H]3[C@H](CO)O	2P4	(5r)-n-benzyl-5-({(2s)-2-[(1r)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)cyclopent-1-ene-1-carboxamide
Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)c3nc4c(c(n3)Nc5ccc(cc5)C(=O)N6CCOCC6)[nH]cn4	2P5	4-tert-butyl-n-[2-methyl-3-(6-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}-7h-purin-2-yl)phenyl]benzamide
c1ccc(cc1)CCCC(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C#N	2P6	(2s)-1-[1-(4-phenylbutanoyl)-l-prolyl]pyrrolidine-2-carbonitrile
c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)O	2P7	[3,4-bis(fluoranyl)-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]phenyl]-(3-oxidanylazetidin-1-yl)methanone
c1ccc(cc1)CNC(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3[C@H](CO)O	2P8	(2s)-n-benzyl-2-({(2s)-2-[(1r)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)pyrrolidine-1-carboxamide
c1cc(ccc1CNC(=S)c2ccc(cc2Cl)c3ccc(o3)C(=O)O)c4cc(nn4c5ccc(c(c5)Cl)Cl)C(=O)O	2P9	5-{4-[({[4-(5-carboxyfuran-2-yl)-2-chlorophenyl]carbonothioyl}amino)methyl]phenyl}-1-(3,4-dichlorophenyl)-1h-pyrazole-3-carboxylic acid
NP(=O)(N)O	2PA	diamidophosphate
c1ccc(c(c1)C(=O)[O-])O[P@H](=O)[O-]	2PB	2-[(dioxidophosphino)oxy]benzoate
C1CC(=[NH+]C1)C(=O)[O-]	2PC	3,4-dihydro-2h-pyrrolium-5-carboxylate
CC(C)CCN1C(=O)C(=C(C(=N1)c2ccccc2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)OC	2PD	5-hydroxy-4-(7-methoxy-1,1-dioxido-2h-1,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-phenylpyridazin-3(2h)-one
C(COCCOCCOCCOCCOCCOCCOCCOCCO)O	2PE	nonaethylene glycol
Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]34[N@@]2[C@@H](C[C@@H]4c5c(c(c(c(c5F)F)F)F)F)O)C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O)O)O)O	2PF	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-2,3,4-trihydroxy-5-[(1r,3r,3as)-1-hydroxy-10,11-dimethyl-4,6-dioxo-3-(pentafluorophenyl)-2,3,5,6-tetrahydro-1h-benzo[g]pyrrolo[2,1-e]pteridin-8(4h)-yl]pentyl dihydrogen diphosphate
C([C@H](C(=O)O)OP(=O)(O)O)O	2PG	2-phosphoglyceric acid
C1C(=NC2=C(N1)N=C(NC2=O)N)CO[P@@](=O)(O)OP(=O)(O)O	2PH	[7,8-dihydro-pterin-6-yl methanyl]-phosphonophosphate
CCC[C@@H](C(=O)O)N	2PI	2-amino-pentanoic acid
CC(C)(C)OC(=O)NC[C@@H](Cc1cc2ccccc2nc1)c3cc(ccc3F)F	2PJ	tert-butyl [(2s)-2-(2,5-difluorophenyl)-3-(quinolin-3-yl)propyl]carbamate
[H]/N=C\1/NC(=O)/C(=C\c2ccc(cc2)O)/S1	2PK	(5~{e})-2-azanylidene-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
C(C(=O)O)OP(=O)(O)O	2PL	phosphoglycolic acid
CN(C)CCOC(c1ccccc1)c2ccccc2	2PM	n-[2-(benzhydryloxy)ethyl]-n,n-dimethylamine
N(P(=O)(O)O)P(=O)(O)O	2PN	imidodiphosphoric acid
[O-]P(=O)[O-]	2PO	phosphonate
CCCC(CCC)C(=O)O	2PP	2-propyl-pentanoic acid
CCCc1cc(ccc1OCCCN2CCCc3c2cccc3OC(C)(C)C(=O)O)C(=O)c4ccc(cc4)c5ccccc5	2PQ	2-[(1-{3-[4-(biphenyl-4-ylcarbonyl)-2-propylphenoxy]propyl}-1,2,3,4-tetrahydroquinolin-5-yl)oxy]-2-methylpropanoic acid
c1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	2PR	2-amino-9-[2-deoxyribofuranosyl]-9h-purine-5'-monophosphate
c1ccc(cc1)CC[C@@H](CCS(=O)(=O)Oc2ccccc2)N	2PS	phenyl (3s)-3-amino-5-phenylpentane-1-sulfonate
CNC(=[S][Pt+2]1[NH2]CC[NH2]1)N(C)CCNc2c3ccccc3[nH+]c4c2cccc4	2PT	1-[2-(acridin-9-ylamino)ethyl]-1,3-dimethylthiourea-platinum(ii)-ethane-1,2-diamine
c1cc2c(c(c1)NC(=O)Nc3cc([nH]n3)[C@@H]4CCCN4)[C@@H]5CCCN5C2=O	2PU	1-(5-oxo-2,3,5,9b-tetrahydro-1h-pyrrolo[2,1-a]isoindol-9-yl)-3-(5-pyrrolidin-2-yl-1h-pyrazol-3-yl)-urea
[H]/N=C\1/NC(=O)/C(=C\c2ccc(cc2)N)/S1	2PV	(5~{e})-5-[(4-aminophenyl)methylidene]-2-azanylidene-1,3-thiazolidin-4-one
CC[C@@H](C)N1C(=O)/C(=C\c2ccc(cc2)O)/SC1=S	2PW	(5~{e})-3-[(2~{r})-butan-2-yl]-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Cc1ccc2c(c1)c(c[nH]2)CN3CCC(CC3)NC(=O)[C@H](Cc4c[nH]c5c4cccc5)N	2PX	n-{1-[(5-methyl-1h-indol-3-yl)methyl]piperidin-4-yl}-l-tryptophanamide
c1cc2c(cc1c3cc(cnc3)OC[C@H](CC4=C5C=CC=CC5N=C4)N)cn[nH]2	2PY	(2s)-1-{[5-(1h-indazol-5-yl)pyridin-3-yl]oxy}-3-[(7as)-7ah-indol-3-yl]propan-2-amine
c1ccc2c(c1)c(c[nH]2)CN3CCC(CC3)NC(=O)CN	2PZ	n-[1-(1h-indol-3-ylmethyl)piperidin-4-yl]glycinamide
CC(C)CN1C(=O)/C(=C/c2ccc(cc2)O)/SC1=S	2Q0	(5~{z})-5-[(4-hydroxyphenyl)methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
C([C@@H]([C@H]([C@H]([C@@H](C(=O)O)O)O)O)O)O	2Q2	l-galactonic acid
CC(C)[C@H](C(=O)N1CC[C@@](C(C1)(C)C)(c2ccc(cc2)Cl)O)NC(=O)CC(C)(C)O	2Q4	n-{(2r)-1-[(4s)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-3-hydroxy-3-methylbutanamide
C[C@H](CO)OC[C@@H](C)OC[C@H](C)OC[C@@H](C)O	2Q5	(2r)-2-{[(2r)-2-{[(2s)-2-{[(2r)-2-hydroxypropyl]oxy}propyl]oxy}propyl]oxy}propan-1-ol
COC(=O)NC[C@@H](Cc1cc2ccccc2nc1)c3ccc(cc3)OCCCCCc4ccc(cc4)NC(=O)[C@H](C5CCCCC5)N6CCC[C@@H](C6=O)N	2Q6	methyl [(2s)-2-[4-({5-[4-({(2s)-2-[(3s)-3-amino-2-oxopiperidin-1-yl]-2-cyclohexylacetyl}amino)phenyl]pentyl}oxy)phenyl]-3-(quinolin-3-yl)propyl]carbamate
C=CC(=O)N1CCC(CC1)C(=O)NCC(=O)N2CCN(CC2)c3nc(nc(n3)N4CCOCC4)c5cnc(nc5C(F)F)N	2Q7	n-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-1-(prop-2-enoyl)piperidine-4-carboxamide
CC1(Cc2c(c3c(n2c4ccc(cc4)C(=O)N)CN(CC3)C)C(=O)C1)C	2Q8	4-(2,7,7-trimethyl-5-oxo-1,2,3,4,5,6,7,8-octahydro-9h-beta-carbolin-9-yl)benzamide
CC(C)Nc1cc(cc2c1C(=O)NCC2)n3c4c(c5c3CN(CC5)C)C(=O)CC(C4)(C)C	2Q9	2,7,7-trimethyl-9-[1-oxo-8-(propan-2-ylamino)-1,2,3,4-tetrahydroisoquinolin-6-yl]-1,2,3,4,6,7,8,9-octahydro-5h-beta-carbolin-5-one
Cc1cn(c2c1C(=O)CC(C2)(C)C)c3cc4c(c(c3)C5CCCC5)C(=O)NCC4	2QA	8-cyclopentyl-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1h-indol-1-yl)-3,4-dihydroisoquinolin-1(2h)-one
Cc1ncc(c(n1)N)CN=[N+]=[N-]	2QB	5-(azidomethyl)-2-methylpyrimidin-4-amine
c1cc(ccc1CN)c2csnn2	2QC	1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine
CNC(=O)CC[C@H](C[C@@H](C(=O)O)N)C(=O)O	2QD	(4r)-4-[3-(methylamino)-3-oxopropyl]-l-glutamic acid
COC(=O)CC[C@H](C[C@@H](C(=O)O)N)C(=O)O	2QE	(2s,4r)-4-(3-methoxy-3-oxopropyl) glutamic acid
c1cc2cc(ccn2c1)C(=O)NCc3ccc(cc3)S(=O)(=O)c4cc(cc(c4)F)F	2QF	n-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}indolizine-7-carboxamide
c1cc(ccc1OCCCCCC/N=C(\NC#N)/Nc2ccncc2)Cl	2QG	2-[6-(4-chlorophenoxy)hexyl]-1-cyano-3-pyridin-4-ylguanidine
Cc1cc(ccc1OC)[C@]2(C3=NCC(CN3C(=N2)N)(F)F)c4ccc(c(c4)c5cccnc5)F	2QH	(8r)-3,3-difluoro-8-[4-fluoro-3-(pyridin-3-yl)phenyl]-8-(4-methoxy-3-methylphenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine
C[C@H](CC(=O)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C	2QI	calcitroic acid
C[C@@](C(=O)Nc1ccc(cc1Cl)S(=O)(=O)c2cccc(c2)Br)(C(F)(F)F)O	2QJ	(2r)-n-{4-[(3-bromophenyl)sulfonyl]-2-chlorophenyl}-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CC[C@H](c1ccccc1Cl)NC(=O)c2ccc3c(c2)c(n[nH]3)c4ccc(cc4)OC5CCN(CC5)C	2QK	n-[(1r)-1-(2-chlorophenyl)propyl]-3-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}-1h-indazole-5-carboxamide
c1ccc2c(c1)c3cccc4c3c5c2c6c(cc5cc4)[C@H]([C@@H]([C@@H](C6)O)O)O	2QL	(11r,12r,13r)-11,12,13,14-tetrahydronaphtho[1,2,3,4-pqr]tetraphene-11,12,13-triol
c1cc(ccc1[C@@H](C(=O)O)NC(=O)N[C@@H](CCCCNC(=O)c2ccc(cc2)I)C(=O)O)O	2QM	n~2~-{[(s)-carboxy(4-hydroxyphenyl)methyl]carbamoyl}-n~6~-(4-iodobenzoyl)-l-lysine
c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](Cc2ccncc2)C(=O)O)I	2QN	n~2~-{[(1s)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-n~6~-(4-iodobenzoyl)-l-lysine
C=CCc1cccc(c1)c2cc(ccc2O)/C=C/C(=O)O	2QO	(2e)-3-[6-hydroxy-3'-(prop-2-en-1-yl)biphenyl-3-yl]prop-2-enoic acid
c1cc(oc1)C[C@@H](C(=O)O)NC(=O)N[C@@H](CCCCNC(=O)c2ccc(cc2)I)C(=O)O	2QP	n~2~-{[(1s)-1-carboxy-2-(furan-2-yl)ethyl]carbamoyl}-n~6~-(4-iodobenzoyl)-l-lysine
C#CC[C@@H](C(=O)O)NC(=O)N[C@@H](CCCCNC(=O)c1ccc(cc1)I)C(=O)O	2QQ	n~2~-{[(1s)-1-carboxybut-3-yn-1-yl]carbamoyl}-n~6~-(4-iodobenzoyl)-l-lysine
Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H]2CO[C@@H]([C@@H]([C@H]2O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O	2QR	(2r,3r,4s,5s)-3,4-dihydroxy-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]tetrahydro-2h-pyr an-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](C[C@H]2CO2)C(=O)O)I	2QS	(2s)-2-[({(1s)-1-carboxy-2-[(2s)-oxiran-2-yl]ethyl}carbamoyl)amino]-6-[(4-iodobenzoyl)amino]hexanoic acid (non-preferred name)
c1cc2c(cc1c3cc(cc(c3)F)NC(=O)CN4CCCC4)c(ncn2)N	2QT	n-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-(pyrrolidin-1-yl)acetamide
c1cc(nc2c1ncnc2N)c3ccnc(c3)F	2QU	6-(2-fluoropyridin-4-yl)pyrido[3,2-d]pyrimidin-4-amine
c1cc(cc(c1)Cl)c2ccc3c(c2)c(ncn3)N	2QV	6-(3-chlorophenyl)quinazolin-4-amine
Cc1ccc(cc1)NC(=O)[C@H](C2CCCCC2)NC(=O)[C@H](CC[Se]C)N	2QW	(2s)-2-amino-n-{(1s)-1-cyclohexyl-2-[(4-methylphenyl)amino]-2-oxoethyl}-4-(methylselanyl)butanamide
COC(=O)NC[C@@H](Cc1cc2ccccc2nc1)c3cc(ccc3F)CCCCCc4ccc(cc4)NC(=O)[C@H](C5CCCCC5)N6CCC[C@@H](C6=O)N	2QX	methyl [(2s)-2-(5-{5-[4-({(2s)-2-[(3s)-3-amino-2-oxopiperidin-1-yl]-2-cyclohexylacetyl}amino)phenyl]pentyl}-2-fluorophenyl)-3-(quinolin-3-yl)propyl]carbamate
CN/C(=C\c1ccc(cc1)O)/C(=O)O	2QY	(2z)-3-(4-hydroxyphenyl)-2-(methylamino)prop-2-enoic acid
C[C@H]([C@@H](C(=O)O)N(C)C)O	2QZ	n,n-dimethyl-l-threonine
C1[C@H](O1)/C(=C(\C(=O)O)/N)/CO	2R1	(2e)-2-amino-4-hydroxy-3-[(2r)-oxiran-2-yl]but-2-enoic acid
Cc1c(cc2c(c1[N+](=O)[O-])sc(n2)C(=O)N3CCN(CC3)CCOC)C(F)(F)F	2R2	[4-(2-methoxyethyl)piperazin-1-yl][6-methyl-7-nitro-5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methanone
COc1ccc(cc1)[C@H]([C@@H](C(=O)O)N)O	2R3	(betar)-beta-hydroxy-o-methyl-l-tyrosine
c1ccc2c(c1)c3cccc(c3s2)c4cccc5c4OC(=CC5=O)N6CCOCC6	2R4	8-(dibenzo[b,d]thiophen-4-yl)-2-(morpholin-4-yl)-4h-chromen-4-one
Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCn4cccc4	2R5	n-tert-butyl-3-{[5-methyl-2-({4-[2-(1h-pyrrol-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide
Cc1cn(c2c1C(=O)CC(C2)(C)C)c3cc4c(c(c3)CC(C)C)C(=O)NCC4	2R6	8-(2-methylpropyl)-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1h-indol-1-yl)-3,4-dihydroisoquinolin-1(2h)-one
c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)NC(=O)NC2(CC2)C(=O)O)I	2R7	n~2~-[(1-carboxycyclopropyl)carbamoyl]-n~6~-(4-iodobenzoyl)-l-lysine
CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3CC3)Oc4c5ccc(cc5ccn4)OC)NC(=O)OC(C)(C)C	2R8	n-(tert-butoxycarbonyl)-3-methyl-l-valyl-(4r)-n-{(1r,2s)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-4-[(6-methoxyisoquinolin-1-yl)oxy]-l-prolinamide
CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3CC3)Oc4c5cc(ccc5c(cn4)OC)Cl)NC(=O)OC(C)(C)C	2R9	n-(tert-butoxycarbonyl)-3-methyl-l-valyl-(4r)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-n-{(1r,2s)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-l-prolinamide
C([C@H](C(=O)O)N)N	2RA	3-amino-d-alanine
COc1ccc(cc1)C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br	2RB	n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-4-methoxybenzohydrazide
CC1(C(=O)N(c2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)COP(=O)(O)O)C	2RC	[6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-3-oxo-2,3-dihydro-4h-pyrido[3,2-b][1,4]oxazin-4-yl]methyl dihydrogen phosphate
CCCCCCCCCCCCSc1c(nn[nH]1)C(=O)O	2RD	5-(dodecylthio)-1h-1,2,3-triazole-4-carboxylic acid
c1cc(ccc1c2[nH]c(c(n2)c3ccc(cc3)F)c4ccncc4)O	2RE	4-[4-(4-fluorophenyl)-5-(pyridin-4-yl)-1h-imidazol-2-yl]phenol
c1cc(cc(c1)Cl)C2=C(C(=O)NC2=O)Nc3ccc(c(c3)Cl)O	2RF	3-[(3-chloro-4-hydroxyphenyl)amino]-4-(3-chlorophenyl)-1h-pyrrole-2,5-dione
C[C@H]1[C@@H](C(=N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O	2RG	(2s,3r,4s)-4-({(3s,5s)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-2-[(1s,2r)-1-formyl-2-hydroxypropyl]-3-methyl-3,4-dihydro-2h-pyrrole-5-carboxylic acid
CC(C)C[C@H](C(=O)O)O	2RH	(2r)-2-hydroxy-4-methylpentanoic acid
C[C@@H](c1ccc(cc1)F)NC(=O)[C@@H](c2cccnc2)N(c3ccc4c5ccccc5oc4c3)C(=O)[C@@H](C)O	2RI	(2~{r})-~{n}-dibenzofuran-3-yl-~{n}-[(1~{r})-2-[[(1~{s})-1-(4-fluorophenyl)ethyl]amino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]-2-oxidanyl-propanamide
Cc1cccc(c1C)Oc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(cc5)F	2RJ	2-(2,3-dimethylphenoxy)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1h-imidazol-5-yl]pyrimidine
C1CNCCC1C2=NC(=C3C=CC4=C(CCC4=C3)N=O)C(=C5C=CNC=C5)N2	2RK	4-[(5z)-5-(1-nitroso-2,3-dihydro-5h-inden-5-ylidene)-2-(piperidin-4-yl)-3,5-dihydro-4h-imidazol-4-ylidene]-1,4-dihydropyridine
COc1cc2c(ccnc2cc1OC)Oc3ccc4c(c3)OCCN4C(=O)Nc5ccc(cc5)Cl	2RL	n-(4-chlorophenyl)-7-[(6,7-dimethoxyquinolin-4-yl)oxy]-2,3-dihydro-1,4-benzoxazine-4-carboxamide
c1cc2ccc(cn2c1)C(=O)NCc3ccc(cc3)S(=O)(=O)c4cc(cc(c4)F)F	2RM	n-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}indolizine-6-carboxamide
c1ccc(cc1)c2[nH]c(c(n2)c3ccncc3)c4cccc(c4)O	2RN	3-[2-phenyl-4-(pyridin-4-yl)-1h-imidazol-5-yl]phenol
CC(C)(C)c1ccc(cc1)CCC2=C(NC(=O)NC2=O)C(=O)O	2RO	5-[2-(4-tert-butylphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
CCC[C@@H](C)O	2RP	(2r)-pentan-2-ol
COc1ccccc1Oc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(cc5)F	2RQ	4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1h-imidazol-5-yl]-2-(2-methoxyphenoxy)pyrimidine
c1ccc2c(c1)nc(n2CC(=O)c3ccc(cc3)N)c4c(non4)NCCC#N	2RR	3-[(4-{1-[2-(4-aminophenyl)-2-oxoethyl]-1h-benzimidazol-2-yl}-1,2,5-oxadiazol-3-yl)amino]propanenitrile
Cc1cc(c(c(c1)C)Nc2nc(nc(n2)OCCCN3CCOCC3)Nc4ccc(cc4)C#N)C	2RS	4-({4-[3-(morpholin-4-yl)propoxy]-6-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile
Cc1cc(c(c(c1)C)Nc2ncnc(n2)Nc3ccc(cc3)C#N)C	2RT	4-({4-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile
CC(C)C(=O)N1CCC(CC1)NC(=O)Nc2ccc(cc2)C(F)(F)F	2RU	1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CCC(=O)N1CCC(CC1)NC(=O)Nc2ccc(cc2)OC(F)(F)F	2RV	1-(1-propanoylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H](CCO4)O)O)O)N	2RW	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3s)-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
C([C@@H](C(=O)O)N)OP(=O)(O)S	2RX	o-thiophosphono-l-serine
c1ccc(c(c1)CC(=O)N2CCN(CC2)c3c4c5c(sc4ncn3)CCC5)C(F)(F)F	2RY	1-[4-(7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
[H]/N=C(\N[C@H](Cc1ccccc1)C(=O)NCc2ccc(c(c2)OC)OC)/NC(=O)Cc3ccc(c(c3)OC)OC	2RZ	n-(3,4-dimethoxybenzyl)-nalpha-{n-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl}-d-phenylalaninamide
CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)c5ccc(cc5)N(C)C)C)OC(=O)C	2S0	[(8s,11r,13s,14s,17r)-17-acetyl-11-[4-(dimethylamino)phenyl]-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopen ta[a]phenanthren-17-yl] acetate
COc1cc(c(cc1OC)Br)C(=O)N[C@@H](Cc2cccc(c2)Oc3ccccc3)[C@H](CN(CCc4ccc(cc4Cl)Cl)C(=O)CCN5C(=O)c6ccccc6C5=O)O	2S1	2-bromo-n-[(2s,3s)-4-{[2-(2,4-dichlorophenyl)ethyl][3-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propanoyl]amino}-3-hydroxy-1-(3-phenoxyphenyl)butan-2-yl]-4,5-dimethoxybenzamide
CCCC[C@@H](c1c[nH]c2c1cccc2)C(=O)O	2S2	(2s)-2-(1h-indol-3-yl)hexanoic acid
CCC[C@@H](c1c[nH]c2c1cccc2)C(=O)O	2S3	(2s)-2-(1h-indol-3-yl)pentanoic acid
[H]/N=C(/NCc1ccc(cc1)C)\NC(=O)Cc2ccc(c(c2)OC)OC	2S4	2-(3,4-dimethoxyphenyl)-n-[n-(4-methylbenzyl)carbamimidoyl]acetamide
c1ccc(cc1)[C@@](C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)C#N)O	2S6	4-(3-{4-[(r)-cyclopentyl(hydroxy)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile
c1ccnc(c1)[C@](C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)C#N)O	2S7	4-(3-{4-[(s)-cyclopentyl(hydroxy)pyridin-2-ylmethyl]piperidin-1-yl}propoxy)benzonitrile
CC(C)(C)OC(=O)NCCCCCC[C@@H](c1c[nH]c2c1cccc2)C(=O)O	2S8	(2s)-8-[(tert-butoxycarbonyl)amino]-2-(1h-indol-3-yl)octanoic acid
c1cc(cc(c1)F)[C@@](C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)C#N)O	2S9	4-(3-{4-[(r)-cyclopentyl(3-fluorophenyl)hydroxymethyl]piperidin-1-yl}propoxy)benzonitrile
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N[C@@H](CC(=O)O)C(=O)O	2SA	2-[9-(3,4-dihydroxy-5-phosphonooxymethyl-tetrahydro-furan-2-yl)-9h-purin-6-ylamino]-succinic acid
c1ccc(cc1)[C@@H](C(=O)N/N=C/c2ccc(c(c2)Br)O)N	2SB	(2s)-2-amino-n'-[(1e)-(3-bromo-4-hydroxyphenyl)methylidene]-2-phenylethanehydrazide
c1ccc(cc1)c2cc(n3c(n2)c(cn3)CO)NCc4cccnc4	2SC	(5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol
c1ccnc(c1)[C@](C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)S(=O)(=O)N)O	2SE	4-(3-{4-[(s)-cyclopentyl(hydroxy)pyridin-2-ylmethyl]piperidin-1-yl}propoxy)benzenesulfonamide
c1ccc(cc1)[C@@](C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)C#N)N	2SF	4-(3-{4-[(r)-amino(cyclopentyl)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(O)(S)S)O)O)N=C(NC2=O)N	2SG	guanosine phosphorodithioate
c1cc(c(cc1[C@@H](CO)NC(=O)N2CCc3cnc(nc3C2)NC4CCOCC4)Cl)F	2SH	n-[(1s)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(tetrahydro-2h-pyran-4-ylamino)-5,8-dihydropyrido[3,4-d]pyrimidine-7(6h)-carboxamide
[C@@H]1([C@@H]([C@@H](O[C@H]([C@@H]1OS(=O)(=O)O)O)C(=O)O)O)O	2SI	2-o-sulfo-a-l-iduronic acid
CC(=O)N[C@H]1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)O)OC)OC)OC	2SJ	n-[(7s)-10-hydroxy-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
CS[C@@H]1[C@H]([C@H]([C@H]([C@H]1O)O)O)NCc2ccccc2	2SK	(1r,2r,3r,4s,5r)-4-(benzylamino)-5-(methylthio)cyclopentane-1,2,3-triol
CCC[C@H](C)O	2SL	(2s)-pentan-2-ol
Cc1ccnc(n1)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC	2SM	methyl 2-{[(4-methylpyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate
CN(C)Cc1cccc(c1)NCc2ccc3ccc(nc3c2)N	2SN	7-[[[3-[(dimethylamino)methyl]phenyl]amino]methyl]quinolin-2-amine
c1ccc(cc1)CCCCCCCCn2c[n+](cc2C[C@@H](C(=O)O)N)CC[C@H](CO)O	2SO	3-{3-[(3r)-3,4-dihydroxybutyl]-1-(8-phenyloctyl)-1h-imidazol-3-ium-5-yl}-l-alanine
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC	2SP	(1s)-2-(phosphonooxy)-1-[(stearoyloxy)methyl]ethyl stearate
Cc1c(cc(c2c1CCCO2)F)C3=C(N(C(=O)c4c3cccc4)C)[C@@H](C(=O)O)OC(C)(C)C	2SQ	(2s)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2h-chromen-6-yl)-2-methyl-1-oxo-1,2-dihydroisoquinolin-3-yl]ethanoic acid
Cc1cc(c2c(c1)C(=C[C@H](O2)C3CCOCC3)O)c4ccc(c(c4)OC)OC	2SR	(2r)-8-(3,4-dimethoxyphenyl)-6-methyl-2-(tetrahydro-2h-pyran-4-yl)-2h-chromen-4-ol
C=CCN(Cc1ccccc1C(=O)NCC2CCC2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O	2SS	(2s)-6-[[[2-(cyclobutylmethylcarbamoyl)phenyl]methyl-prop-2-enyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)[Se]C	2ST	5-methyl-2'-se-methyl-2'-selenouridine 5'-(dihydrogen phosphate)
c1ccc2c(c1)c(c[nH]2)C[C@](CF)(C(=O)O)N	2SU	alpha-(fluoromethyl)-d-tryptophan
CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C1=O)(C)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl	2SW	[(3r,5r,6s)-1-[(2s)-1-(tert-butylsulfonyl)butan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetic acid
c1cc2c(cc1Br)c(c[nH]2)CC(=O)O	2SX	(5-bromo-1h-indol-3-yl)acetic acid
c1ccc2c(c1)c(cn2Cc3cccc(c3)Cl)CC(=O)O	2SY	[1-(3-chlorobenzyl)-1h-indol-3-yl]acetic acid
CN1CCN(CC1)Cc2ccc(cn2)C#Cc3ccc(cc3)c4cc(cnc4n5cnc6c5cccc6)C(=O)NO	2SZ	6-(1h-benzimidazol-1-yl)-n-hydroxy-5-[4-({6-[(4-methylpiperazin-1-yl)methyl]pyridin-3-yl}ethynyl)phenyl]pyridine-3-carboxamide
c1cc2c(cc1OP(=O)(O)O)-c3c(sc(n3)N)CC2	2T0	2-amino-4,5-dihydronaphtho[1,2-d][1,3]thiazol-8-yl dihydrogen phosphate
c1ccc(c(c1)C2CCN(CC2)C(=O)Nc3ccccc3C(=O)O)C(F)(F)F	2T1	2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid
C#Cc1cccc(c1)Cn2cc(c3c2cccc3)CC(=O)O	2T2	[1-(3-ethynylbenzyl)-1h-indol-3-yl]acetic acid
c1ccc(cc1)NC(=O)[C@@H]([C@H](C(=O)O)O)O	2T3	(2r,3r)-4-anilino-2,3-dihydroxy-4-oxobutanoic acid
c1cc2c(c(c1)OCP(=O)(O)O)-c3c(sc(n3)N)C2	2T4	{[(2-amino-8h-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid
c1cc2c(c(c1)OCP(=O)(O)O)-c3c(scn3)C2	2T5	[(8h-indeno[1,2-d][1,3]thiazol-4-yloxy)methyl]phosphonic acid
c1cc(c-2c(c1C(=O)N)Cc3c2ncs3)OCP(=O)(O)O	2T6	{[(7-carbamoyl-8h-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid
COc1ccc(cc1Cn2cc(c3c2cccc3)CC(=O)O)[N+](=O)[O-]	2T7	[1-(2-methoxy-5-nitrobenzyl)-1h-indol-3-yl]acetic acid
C(#[O+])[Ir]([O-])(Cl)(Cl)(Cl)Cl	2T8	carbonyl(tetrachloro)oxidoiridium
COc1ccc(cc1Cn2cc(c3c2cc(cc3)c4cc(cc(c4)N)N)CC(=O)O)[N+](=O)[O-]	2T9	[6-(3,5-diaminophenyl)-1-(2-methoxy-5-nitrobenzyl)-1h-indol-3-yl]acetic acid
Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4	2TA	n-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide
C1[C@H]([C@@H](C([C@@H]([C@H]1[NH3+])O)O)O)[NH3+]	2TB	1,3-diamino-4,5,6-trihydroxy-cyclohexane
C[C@@]1(c2c(ccc(c2C(=O)O1)O)Cl)[C@H]3C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C(=O)C3)O)C#N)O)N(C)C	2TC	(4s,4as,6s,8as)-6-[(1s)-7-chloro-4-hydroxy-1-methyl-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-4-(dimethylamino)-3,8a-dihydroxy-1,8-dioxo-1,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carbonitrile
CC(=O)CCCCCCCCCC=C	2TD	tridec-12-en-2-one
CC#CC[C@@](c1ccc(cc1)[N@@]2CC[N@](C[C@@H]2C#CC)S(=O)(=O)c3ccc(nc3)N)(C(F)(F)F)O	2TE	(2r)-2-{4-[(2s)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1-trifluorohex-4-yn-2-ol
CC#C[C@H]1CN(CCN1c2ccc(cc2)[C@](CO)(C(F)(F)F)O)S(=O)(=O)c3ccc(nc3)N	2TF	(2s)-2-{4-[(2s)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-3,3,3-trifluoropropane-1,2-diol
CC#C[C@H]1CN(CCN1c2ccc(cc2)S(=N)(=O)C(F)(F)F)S(=O)(=O)c3ccc(nc3)N	2TG	5-{[(3s)-3-(prop-1-yn-1-yl)-4-{4-[s-(trifluoromethyl)sulfonimidoyl]phenyl}piperazin-1-yl]sulfonyl}pyridin-2-amine
c1ccc2c(c1)C[C@H]([C@@H]2O)NC(=O)c3cc4cc(sc4[nH]3)Cl	2TH	2-chloro-n-[(1r,2r)-1-hydroxy-2,3-dihydro-1h-inden-2-yl]-6h-thieno[2,3-b]pyrrole-5-carboxamide
CCNC(=O)[C@@H](CC[P@@](=O)(C[C@@H](CCC(=O)O)C(=O)O)OP(=O)(O)O)NC(=O)C	2TI	(2~{s})-2-[[[(3~{r})-3-acetamido-4-(ethylamino)-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid
CC#C[C@H]1CN(CCN1c2ccc(cc2)S(=O)(=O)NC)S(=O)(=O)c3ccc(nc3)N	2TJ	4-[(2s)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]-n-methylbenzenesulfonamide
CCCCCCc1ccc(c(c1)O)Oc2ccccc2Br	2TK	2-(2-bromophenoxy)-5-hexylphenol
C[C@H]([C@H](C(=O)O)N)O	2TL	d-allothreonine
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O)O	2TM	5'-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine
CC(C)NCC(COc1ccc(cc1)CC(=O)N)O	2TN	2-(4-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)ethanamide
c1cc(cnc1)c2cc(cnc2N3CCN(CC3)S(=O)(=O)c4ccc(nc4)N)C(C(F)(F)F)(C(F)(F)F)O	2TO	2-(2-{4-[(6-aminopyridin-3-yl)sulfonyl]piperazin-1-yl}-3,3'-bipyridin-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
Cc1c(sc[n+]1Cc2cnc(nc2NO)C)CCO[P@](=O)(O)OP(=O)(O)O	2TP	2-(3-{[4-(hydroxyamino)-2-methylpyrimidin-5-yl]methyl}-4-methyl-2,3-dihydro-1,3-thiazol-5-yl)ethyl trihydrogen diphosphate
C1C[C@H](N2[C@@H]1CC2=O)C(=O)O	2TQ	(2s,5s)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CN(C)C(=O)c1c(ccc(c1F)c2cnc3c(c2Cl)[C@@]4(CC[C@H](C4)O)CN3)N	2TR	6-amino-3-[(1s,3r)-4'-chloro-3-hydroxy-1',2'-dihydrospiro[cyclopentane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl]-2-fluoro-n,n-dimethylbenzamide
[H]/N=C(\N)/NCCC[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cc(ccc2CN)Cl)NS(=O)(=O)Cc3ccccc3	2TS	(2s)-n-[[2-(aminomethyl)-5-chloro-phenyl]methyl]-1-[(2r)-5-carbamimidamido-2-(phenylmethylsulfonylamino)pentanoyl]pyrrolidine-2-carboxamide
c1ccc(c(c1)C(=O)Nc2ccnc(c2)NC(=O)C3CC3)Cl	2TT	2-chloro-n-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide
C1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O	2TU	1-(beta-d-ribofuranosyl)-2-thioxo-2,3-dihydropyrimidin-4(1h)-one
CC(=O)O/C=C/1\CSC(N=C1C(=O)O)C(C=O)NC=O	2TV	(2r,5z)-5-[(acetyloxy)methylidene]-2-[(1r)-1-(formylamino)-2-oxoethyl]-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N2[C@@H]([C@H](O[C@@H](C2=O)CC(=O)O)c3cccc(c3)Cl)c4ccc(cc4)Cl	2TW	[(2r,5r,6r)-4-[(1s)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid
CC(=CCC/C(=C/CC/C(=C/CC/C=C(\C)/CC/C=C(\C)/CC[C@H]1C(O1)(C)C)/C)/C)C	2TX	(3s)-2,2-dimethyl-3-[(3e,7e,11e,15e)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-yl]oxirane
c1ccc(cc1)C\C=N\c2cc(c(cc2O)O)C[C@@H](C(=O)O)N	2TY	2-hydroxy-5-{[(1e)-2-phenylethylidene]amino}-l-tyrosine
CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](O[C@@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl	2TZ	[(2r,5r,6r)-4-[(2s)-1-(tert-butylsulfonyl)butan-2-yl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid
C[C@@]1(C[C@@H]([C@H](N(C1=O)[C@H](CS(=O)(=O)C(C)(C)C)C2CC2)c3ccc(c(c3)F)Cl)c4cccc(c4)Cl)Cc5ncc(s5)CC(=O)O	2U0	(2-{[(3r,5r,6s)-1-[(1s)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]methyl}-1,3-thiazol-5-yl)acetic acid
C[C@@]1(C(=O)N([C@@H]([C@H](O1)c2cccc(c2)Cl)c3ccc(cc3)Cl)[C@H](CS(=O)(=O)C(C)(C)C)C4CC4)Cc5ccc(cn5)C(=O)O	2U1	6-{[(2s,5r,6r)-4-[(1s)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methyl-3-oxomorpholin-2-yl]methyl}pyridine-3-carboxylic acid
c1c(nc(s1)N)/C(=N/OCC2=CC(=O)C(=CN2O)O)/C(=O)N[C@@H](CO/N=C(\CCC(=O)O)/C(=O)O)C=O	2U2	(2e)-2-({[(2s)-2-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}acetyl]amino}-3-oxopropyl]oxy}imino)pentanedioic acid
CC(C)([C@@H](CO)NC(=O)/C(=N\OCC1=CC(=O)C(=CN1O)O)/c2csc(n2)N)NOS(=O)(=O)O	2U3	(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}-n-{(2s)-1-hydroxy-3-methyl-3-[(sulfooxy)amino]butan-2-yl}ethanamide
CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@@H](CO/N=C(\C[C@@H](C(=O)O)N2C(=O)c3cc(c(cc3C2=O)O)O)/C(=O)O)C=O	2U4	(4z,8s,11e,14s)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid
C[C@@]1(C[C@@H]([C@H](N(C1=O)[C@H](CS(=O)(=O)C(C)(C)C)C2CC2)c3ccc(cc3)Cl)c4cccc(c4)Cl)Cc5ccc(cn5)C(=O)O	2U5	6-{[(3r,5r,6s)-1-[(1s)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]methyl}pyridine-3-carboxylic acid
C[C@]1(C(=O)N([C@@H]([C@H](O1)c2cccc(c2)Cl)c3ccc(cc3)Cl)[C@H](CS(=O)(=O)C(C)(C)C)C4CC4)Cc5ccc(cn5)C(=O)O	2U6	6-{[(2r,5r,6r)-4-[(1s)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methyl-3-oxomorpholin-2-yl]methyl}pyridine-3-carboxylic acid
CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](O[C@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl	2U7	[(2s,5r,6r)-4-[(2s)-1-(tert-butylsulfonyl)butan-2-yl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid
Cc1cccc(c1)C#C[C@@]2(CCC[C@@H]3[C@H]2CCN3C(=O)OC)O	2U8	mavoglurant
Cc1ccc(cc1)OCc2nc(cs2)C(=O)N[C@H]3CCS(=O)(=O)C3	2U9	n-[(3s)-1,1-dioxidotetrahydrothiophen-3-yl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
C1CNC(=O)[C@@H]1C[C@@H](CCC(=O)C2CC2)N	2UA	(3s)-3-[(2r)-2-amino-5-cyclopropyl-5-oxopentyl]pyrrolidin-2-one
c1cc(ccc1/C=C(\C(=O)O)/S)Cl	2UB	(z)-3-(4-chlorophenyl)-2-mercaptoacrylic acid
[H]/N=C(\N)/NCc1cccc(c1)CC=O	2UC	1-[3-(2-oxoethyl)benzyl]guanidine
c1cc2c(cc1Br)c(c[nH]2)CC(=S)C(=O)O	2UD	3-(5-bromo-1h-indol-3-yl)-2-thioxopropanoic acid
[H]/N=C(/N)\NCc1ccc(cc1)CC=O	2UE	1-[4-(2-oxoethyl)benzyl]guanidine
C([C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O)O	2UF	l-gulonate
c1cnccc1Nc2nccc(n2)c3cnc(nc3CC4CC4)N	2UG	4'-(cyclopropylmethyl)-n~2~-(pyridin-4-yl)-4,5'-bipyrimidine-2,2'-diamine
CCC(=O)NCCCNC1=Nc2c(ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)C(=O)N1	2UH	n-[3-(propanoylamino)propyl]guanosine 5'-(trihydrogen diphosphate)
C[C@H](CC[C@H](CCO)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)CC(C)(C)O)C)C	2UI	(3r,6r)-6-[(3r,5r,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol
CCC(=O)NCCCNC1=NC(=O)c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N1	2UJ	n-[3-(propanoylamino)propyl]guanosine 5'-(tetrahydrogen triphosphate)
CCC(=O)NCCCNC1=NC(=O)c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N1	2UK	5'-o-[(r)-hydroxy{[(s)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-n-[3-(propanoylamino)propyl]guanosine
B([C@H](Cc1cccc(c1)C(=O)O)NC(=O)[C@@H](c2ccccc2)N)(O)O	2UL	3-[(2r)-2-{[(2r)-2-amino-2-phenylacetyl]amino}-2-(dihydroxyboranyl)ethyl]benzoic acid
COC(=O)C(Cc1ccccc1)(Cc2ccc(cc2)NS(=O)(=O)O)C(=O)OC	2UN	{4-[2-benzyl-3-methoxy-2-(methoxycarbonyl)-3-oxopropyl]phenyl}sulfamic acid
CC[C@H](C)C(=O)O[C@H]1CCC=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O	2UO	mevastatin, compactin
[H]/N=C(\c1ccc2ccccc2c1)/N	2UP	naphthalene-2-carboximidamide
[H]/N=C/c1ncc(cn1)C(=O)NCc2ccccc2	2UQ	n-benzyl-2-[(z)-iminomethyl]pyrimidine-5-carboxamide
C[C@@H]1Cc2cc(cc(c2O1)C(=O)N)F	2UR	(2r)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide
c1cc2c(c(c1)C(=O)N)O/C(=C\c3ccc(cc3O)O)/C2=O	2US	(2z)-2-(2,4-dihydroxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide
c1cc2c(c(c1)C(=O)N)O/C(=C\c3ccc(cc3)OCCN4CCOCC4)/C2=O	2UT	(2z)-2-{4-[2-(morpholin-4-yl)ethoxy]benzylidene}-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide
Cc1ccc(c2c1cccc2)c3ccc(c(c3)NS(=O)(=O)c4ccc(cc4)Oc5ccccc5)C(=O)O	2UU	4-(4-methylnaphthalen-1-yl)-2-{[(4-phenoxyphenyl)sulfonyl]amino}benzoic acid
CCCc1ccc(cc1)c2ccc(c(c2)C(=O)O)O	2UV	4-hydroxy-4'-propylbiphenyl-3-carboxylic acid
C[C@](c1cc(c(nc1)c2ccc(s2)S(=O)(=O)c3ccc(nc3)N)Cl)(C(F)(F)F)O	2UW	(2s)-2-(6-{5-[(6-aminopyridin-3-yl)sulfonyl]thiophen-2-yl}-5-chloropyridin-3-yl)-1,1,1-trifluoropropan-2-ol
C[C@](c1ccc(cc1)c2ccc(cc2)S(=O)(=O)c3ccc(nc3)N)(C(F)(F)F)O	2UX	(2s)-2-{4'-[(6-aminopyridin-3-yl)sulfonyl]biphenyl-4-yl}-1,1,1-trifluoropropan-2-ol
C[C@](c1ccc(nc1)c2ccc(nc2Nc3ccccc3)S(=O)(=O)c4ccc(nc4)N)(C(F)(F)F)O	2UY	(2s)-2-{6'-[(6-aminopyridin-3-yl)sulfonyl]-2'-(phenylamino)-2,3'-bipyridin-5-yl}-1,1,1-trifluoropropan-2-ol
C1C=C(NC(S1)C(C(=O)O)N)C(=O)O	2UZ	(2r)-2-[(r)-amino(carboxy)methyl]-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
CC1=C(N[C@H](SC1)[C@@H](C(=O)O)N)C(=O)O	2V0	(2r)-2-[(r)-amino(carboxy)methyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
CS(=O)(=O)c1ccc(cc1)C(=O)Nc2cccc(c2)c3cn4ccnc4c(n3)Nc5ccc(cc5)C(=O)N6CCOCC6	2V1	4-(methylsulfonyl)-n-[3-(8-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}imidazo[1,2-a]pyrazin-6-yl)phenyl]benzamide
Cc1c(cccc1N2C=Nc3cc(ccc3C2=O)C(C)(C)C)C4=CN(C(=O)C(=C4)NC(=O)NC)C	2V2	1-{5-[3-(7-tert-butyl-4-oxoquinazolin-3(4h)-yl)-2-methylphenyl]-1-methyl-2-oxo-1,2-dihydropyridin-3-yl}-3-methylurea
CCN1CCN(CC1)c2ccc(nc2)NC3=CC(=CN(C3=O)C)c4cccc(c4CO)N5C=Cc6cc(cc(c6C5=O)F)C7CC7	2V3	6-cyclopropyl-2-[3-(5-{[5-(4-ethylpiperazin-1-yl)pyridin-2-yl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-(hydroxymethyl)phenyl]-8-fluoroisoquinolin-1(2h)-one
C[C@]1(Cc2cc(c3c(c2C(=O)C1)C(=O)c4cccc(c4C3=O)O)O)O	2V4	rabelomycin
[H]/N=C(\N)/NOCCC[C@@H](C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c2ccccc2)NC(=O)N3CCN(CC3)C	2V5	n-[(2s)-5-(carbamimidamidooxy)-1-oxo-1-{[(1e,3s)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl]amino}pentan-2-yl]-4-methylpiperazine-1-carboxamide
Cc1cc(n2c(n1)nc(n2)C(F)(F)F)Nc3cc(c(c(c3)F)C(F)(F)F)F	2V6	n-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
C[C@@H]([C@H](c1ccc2cc(ccc2c1)OC)O)O	2V7	(1s,2s)-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol
Cc1cccc(c1)c2nc(c(n2c3cc(ccc3C)Cl)c4cccc(c4)Cl)C(=O)O	2V8	1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-(3-methylphenyl)-1h-imidazole-4-carboxylic acid
C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O	2V9	lestaurtinib
CC(C)[C@@H](C(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)CO)O)N	2VA	2'-(l-valyl)amino-2'-deoxyadenosine
[H]/N=C(/N)\NOCCC[C@@H](C(=O)N[C@@H](CCc1ccccc1)/C=C/S(=O)(=O)c2ncccn2)NC(=O)N3CCN(CC3)C	2VC	n-[(2s)-5-(carbamimidamidooxy)-1-oxo-1-{[(1e,3s)-5-phenyl-1-(pyrimidin-2-ylsulfonyl)pent-1-en-3-yl]amino}pentan-2-yl]-4-methylpiperazine-1-carboxamide
c1ccc(cc1)C[C@H](C(=O)O)NC(=O)Cn2c3ccc(cc3c4c2C[C@@H](CC4)C(=O)O)Br	2VD	(2r)-6-bromo-9-(2-{[(1r)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1h-carbazole-2-carboxylic acid
c1cc2c(cc1Br)c3c(n2CC(=O)NCC(=O)O)C[C@@H](CC3)C(=O)O	2VE	(2r)-6-bromo-9-{2-[(carboxymethyl)amino]-2-oxoethyl}-2,3,4,9-tetrahydro-1h-carbazole-2-carboxylic acid
c1cc2c(cc1Cl)c3c(n2CC(=O)N)C[C@@H](CC3)C(=O)O	2VF	(2r)-9-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1h-carbazole-2-carboxylic acid
c1cc2c(cc1Cl)c3c([nH]2)C[C@@H](CC3)C(=O)O	2VG	(2r)-6-chloro-2,3,4,9-tetrahydro-1h-carbazole-2-carboxylic acid
CS(=O)(=O)n1cc2c(n1)CN(C2)[C@@H]3C[C@@H]([C@H](OC3)c4cc(c(cc4F)F)F)N	2VH	(2r,3s,5r)-5-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4h)-yl]-2-(2,4,5-trifluorophenyl)tetrahydro-2h-pyran-3-amine
COCCCN1CCc2c([nH]c3c2c(ccc3OC(F)F)C1=O)Cc4ccc(cc4)Cl	2VI	5-[bis(fluoranyl)methoxy]-2-[(4-chlorophenyl)methyl]-10-(3-methoxypropyl)-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one
CCc1cc(nc(n1)[C@H]2CCCC[C@@H]2C(=O)NCc3ccc(c(c3)Cl)Cl)Sc4[nH]c(cn4)C(=O)O	2VJ	2-[(2-{(1s,2s)-2-[(3,4-dichlorobenzyl)carbamoyl]cyclohexyl}-6-ethylpyrimidin-4-yl)sulfanyl]-1h-imidazole-5-carboxylic acid
c1ccc(cc1)[C@](C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)C#N)O	2VK	4-(3-{4-[(s)-cyclopentyl(hydroxy)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile
Cc1c(cccc1NC(=O)c2cc3c(s2)CCCC3)C4=CN(C(=O)C(=N4)Nc5ccc(cc5)[C@@H]6C(=O)N(CCN6C)C)C	2VL	n-{3-[6-({4-[(2r)-1,4-dimethyl-3-oxopiperazin-2-yl]phenyl}amino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl]-2-methylphenyl }-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)Cn2c3ccc(cc3c4c2C[C@@H](CC4)C(=O)O)Br	2VM	(2r)-6-bromo-9-(2-{[(1s)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1h-carbazole-2-carboxylic acid
CC(C)(C(=O)O)Sc1ccc(cc1)CCN(CCCCC2CCCCC2)C(=O)NC3CCCCC3	2VN	2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid
CC[C@@H]\1[C@H](C(=O)N/C1=C\c2c(c(c([nH]2)Cc3c(c(c([nH]3)CC4=NC(=O)C(=C4C)C=C)C)CCC(=O)O)CCC(=O)O)C)C	2VO	phytochromobilin, bound form
Cc1ccc2c(c1)/C(=C/C(=C\C=C\C(=C\C(=O)O)\C)/C)/CCC2	2VP	(2e,4e,6z,8e)-3,7-dimethyl-8-(7-methyl-3,4-dihydronaphthalen-1(2h)-ylidene)octa-2,4,6-trienoic acid
Cc1ncc(n1CCNS(=O)(=O)N)[N+](=O)[O-]	2VQ	n-[2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl]sulfamide
Cc1cccc2c1/C(=C/C(=C\C=C\C(=C\C(=O)O)\C)/C)/CCC2	2VR	(2e,4e,6z,8e)-3,7-dimethyl-8-(8-methyl-3,4-dihydronaphthalen-1(2h)-ylidene)octa-2,4,6-trienoic acid
C(=C/C=O)\C=C(\C(=O)O)/O	2VS	(2z,4e)-2-hydroxy-6-oxohexa-2,4-dienoic acid
c1ccc2c(c1)c([nH]n2)C(=O)Nc3cnn(c3)Cc4cccc(c4)C#N	2VT	n-[1-(3-cyanobenzyl)-1h-pyrazol-4-yl]-2h-indazole-3-carboxamide
c1cc(cc(c1)C#N)Cn2cc(cn2)NC(=O)c3c4ccc(cc4[nH]n3)c5c[nH]nc5	2VU	n-[1-(3-cyanobenzyl)-1h-pyrazol-4-yl]-6-(1h-pyrazol-4-yl)-1h-indazole-3-carboxamide
CN(C)CC[C@@H](c1ccccc1)n2cc(cn2)NC(=O)c3c4ccc(cc4[nH]n3)c5c[nH]nc5	2VV	n-{1-[(1s)-3-(dimethylamino)-1-phenylpropyl]-1h-pyrazol-4-yl}-6-(1h-pyrazol-4-yl)-1h-indazole-3-carboxamide
CN(C)CC[C@H](c1ccccc1)n2cc(cn2)NC(=O)c3c4ccc(cc4[nH]n3)c5c[nH]nc5	2VW	n-{1-[(1r)-3-(dimethylamino)-1-phenylpropyl]-1h-pyrazol-4-yl}-6-(1h-pyrazol-4-yl)-1h-indazole-3-carboxamide
CCCS(=O)(=O)Nc1ccc(c(c1F)N(C)c2ccc3c(c2)C(=O)N(C=N3)C)F	2VX	n-{2,4-difluoro-3-[methyl(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide
Cc1c(csc1C=O)Cc2cnc(nc2N)C	2VY	4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophene-2-carbaldehyde
Cc1ccc\2c(c1)CCC/C2=C\C(=C/C=C/C(=C/C(=O)O)/C)\C	2VZ	(2e,4e,6z,8e)-3,7-dimethyl-8-(6-methyl-3,4-dihydronaphthalen-1(2h)-ylidene)octa-2,4,6-trienoic acid
Cc1cccc\2c1CCC/C2=C\C(=C/C=C/C(=C/C(=O)O)/C)\C	2W0	(2e,4e,6z,8e)-3,7-dimethyl-8-(5-methyl-3,4-dihydronaphthalen-1(2h)-ylidene)octa-2,4,6-trienoic acid
c1ccc2c(c1)[nH]c(n2)C(=O)c3ccc(cc3)Oc4c(cccn4)C5CCOCC5	2W1	1h-benzimidazol-2-yl(4-{[3-(tetrahydro-2h-pyran-4-yl)pyridin-2-yl]oxy}phenyl)methanone
[H]/N=C(/N)\NCCC[C@@H](C(=O)O)N[C@H](CCC(=O)O)C(=O)O	2W2	n-[(1s)-4-carbamimidamido-1-carboxybutyl]-d-glutamic acid
CCc1cc(nc(n1)[C@H]2CCCC[C@@H]2C(=O)NCc3ccc(c(c3)Cl)Cl)C4=NC(=C(C(=O)N4)C(=O)N)O	2W3	2-[2-[(1s,2s)-2-[(3,4-dichlorophenyl)methylcarbamoyl]cyclohexyl]-6-ethyl-pyrimidin-4-yl]-4-oxidanyl-6-oxidanylidene-1h-pyrimidine-5-carboxamide
c1cc(ccc1c2ccc3c(c2)cco3)N4C(=NNC4=O)C[C@@H]5CCN(C5)C(=O)C6CC6	2W4	4-[4-(1-benzofuran-5-yl)phenyl]-5-{[(3s)-1-(cyclopropylcarbonyl)pyrrolidin-3-yl]methyl}-2,4-dihydro-3h-1,2,4-triazol-3-one
COc1cc(nc(n1)[C@@H]2CCCC[C@H]2C(=O)NCc3ccc(c(c3)Cl)Cl)OC	2W5	(1r,2r)-n-(3,4-dichlorobenzyl)-2-(4,6-dimethoxypyrimidin-2-yl)cyclohexanecarboxamide
CC1(CCc2c([nH]nc2C(=O)Nc3cnn(c3)[C@@H](CCN(C)C)c4ccccc4)C1)C	2W6	n-{1-[(1s)-3-(dimethylamino)-1-phenylpropyl]-1h-pyrazol-4-yl}-6,6-dimethyl-4,5,6,7-tetrahydro-1h-indazole-3-carboxamide
c1ccc(c(c1)C(=O)NCC(=O)NC23CC4CC(C2)CC(C4)C3)S	2W7	n-{2-oxo-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylamino]ethyl}-2-sulfanylbenzamide
c1cc(cc(c1)c2cccc(c2)[N+](=O)[O-])CCC(=O)O	2W8	3-(3'-nitrobiphenyl-3-yl)propanoic acid
c1cc(cc(c1)c2ccc(o2)[N+](=O)[O-])CCC(=O)O	2W9	3-[3-(5-nitrofuran-2-yl)phenyl]propanoic acid
CCCCCCCCCCCCCC[C@@H](O)OC[C@H](CO)O[C@@H](CCCCCC/C=C/CCCCCCCC)O	2WA	(1s,8e)-1-{[(2s)-1-hydroxy-3-{[(1s)-1-hydroxypentadecyl]oxy}propan-2-yl]oxy}heptadec-8-en-1-ol
c1ccc(c(c1)CC(=O)O)c2ccc(o2)c3cccc(c3)[N+](=O)[O-]	2WB	{2-[5-(3-nitrophenyl)furan-2-yl]phenyl}acetic acid
Cc1c(cccc1C(=O)O)c2[nH]c3c(n2)nc(nc3OCC4CCCCC4)N	2WC	3-[2-azanyl-6-(cyclohexylmethoxy)-7h-purin-8-yl]-2-methyl-benzoic acid
CCCCC[C@H](O)OC[C@H](CO)O[C@H](CCCC)O	2WD	(1r)-1-{[(2s)-3-hydroxy-2-{[(1r)-1-hydroxypentyl]oxy}propyl]oxy}hexan-1-ol
COc1c(sc(n1)c2ccnc(c2)NC(=O)C3CC3)C(=O)N	2WE	2-[2-(cyclopropylcarbonylamino)pyridin-4-yl]-4-methoxy-1,3-thiazole-5-carboxamide
c1cc(cc2c1ccnc2)c3ccnc(c3)NC(=O)C4CC4	2WF	n-[4-(isoquinolin-7-yl)pyridin-2-yl]cyclopropanecarboxamide
COc1c(cnc(n1)c2ccnc(c2)NC(=O)C3CC3)C(=O)N	2WG	2-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}-4-methoxypyrimidine-5-carboxamide
CCCn1cc(nc1)CCNC(=O)Nc2nc3ccc(cc3s2)c4cc(cnc4)OC	2WH	1-[6-(5-methoxypyridin-3-yl)-1,3-benzothiazol-2-yl]-3-[2-(1-propyl-1h-imidazol-4-yl)ethyl]urea
Cc1c(cnc2c1C3(CC3)C=N2)c4ccc(c(c4F)C(=O)N(C)C)N	2WI	6-amino-2-fluoro-n,n-dimethyl-3-(4'-methylspiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl)benzamide
CC(=O)Nc1nc2ccc(cc2s1)c3cccnc3	2WJ	n-[6-(pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide
CC(=O)Nc1nc2ccc(cc2s1)c3cc(c(nc3)OC)OC	2WK	n-[6-(5,6-dimethoxypyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide
c1ccc(cc1)Cn2cc(nc2)C(=O)N3CCN(CC3)c4ccccc4Cl	2WL	(1-benzyl-1h-imidazol-4-yl)[4-(2-chlorophenyl)piperazin-1-yl]methanone
CCCCCCCCCCCCCCCCC[C@@H](O)O[C@@H](CO)CO[C@@H](CCCCCC/C=C/CCCCCCCCC)O	2WM	(1s,8e)-1-{[(2s)-3-hydroxy-2-{[(1s)-1-hydroxyoctadecyl]oxy}propyl]oxy}octadec-8-en-1-ol
c1cc(ccc1c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl)OS(=O)(=O)F	2WN	4-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl sulfurofluoridate
C(CSC[C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)[C@@H](C(=O)O)N	2WP	s-ribosylhomocysteine
C#CCNC(=O)c1ccc(cc1OCC(=O)O)F	2WQ	[5-fluoro-2-(prop-2-yn-1-ylcarbamoyl)phenoxy]acetic acid
c1cc(c(cc1F)OCC(=O)O)C(=O)N	2WR	(2-carbamoyl-5-fluorophenoxy)acetic acid
C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)O[C@@H]3CO[C@H]([C@@H]([C@H]3O)O)O)O)O)O	2WS	beta-d-xylopyranosyl-(1->4)-beta-d-xylopyranosyl-(1->4)-beta-d-xylopyranose
Cn1c2cc(c(cc2c(c1c3cccc(c3)NC(=O)CCC(=O)NCc4ccc5c(c4)OCO5)I)C(=O)O)O	2WT	2-[3-({4-[(1,3-benzodioxol-5-ylmethyl)amino]-4-oxobutanoyl}amino)phenyl]-6-hydroxy-3-iodo-1-methyl-1h-indole-5-carboxylic acid
CNc1[nH]c2cc3c(cc2n1)C(=O)NC(=N3)N	2WU	6-amino-2-(methylamino)-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
C[C@H](CC[C@@H](CCO)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)CC(C)(C)O)C)C	2WV	(3s,6r)-6-[(3r,5r,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol
CC(C)C[C@@H](N)P(=O)(O)O	2WW	[(1s)-1-amino-3-methylbutyl]phosphonic acid
c1ccc2c(c1)cc(s2)[C@@H](c3ccccc3Cl)NS(=O)(=O)c4ccc5c(c4)OCCCO5	2WX	n-[(r)-1-benzothiophen-2-yl(2-chlorophenyl)methyl]-3,4-dihydro-2h-1,5-benzodioxepine-7-sulfonamide
c1ccc(cc1)[C@H](c2cc3ccccc3o2)NS(=O)(=O)c4ccc5c(c4)OCCCO5	2WY	n-[(r)-1-benzofuran-2-yl(phenyl)methyl]-3,4-dihydro-2h-1,5-benzodioxepine-7-sulfonamide
CC(C)(c1ccnc(c1)c2cccc3c2sc(c3)[C@@H](c4c(cnc(c4F)N)Cl)NS(=O)(=O)C5CC5)O	2WZ	n-[(r)-(2-amino-5-chloro-3-fluoropyridin-4-yl){7-[4-(2-hydroxypropan-2-yl)pyridin-2-yl]-1-benzothiophen-2-yl}methyl]cyclopropanesulfonamide
c1ccc(cc1)CC[C@H](N)P(=O)(O)O	2X0	[(1r)-1-amino-3-phenylpropyl]phosphonic acid
[H]/N=C(/c1ccc(cc1)NC(=O)Nc2cccc(c2)CN)\N	2X1	4-({[3-(aminomethyl)phenyl]carbamoyl}amino)benzenecarboximidamide
C(C1C2(C(C(O1)N3C2NC4=C3N=C(NC4=O)N)O)O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O	2X3	(8s)-3',8-cyclo-7,8-dihydroguanosine 5'-triphosphate
c1cc2c(cc1c3cc(cnc3)Cl)[C@@]4(COC(=N4)N)[C@@H]5CCOC[C@H]5O2	2X4	(4r,4a's,10a's)-7'-(5-chloropyridin-3-yl)-3',4',4a',10a'-tetrahydro-1'h-spiro[1,3-oxazole-4,5'-pyrano[3,4-b]chromen]-2-amine
c1cc2c(cc1c3cc(cnc3)Cl)[C@@]4(COC(=N4)N)[C@H]5CCOC[C@@H]5O2	2X5	(4r,4a'r,10a'r)-7'-(5-chloropyridin-3-yl)-3',4',4a',10a'-tetrahydro-1'h-spiro[1,3-oxazole-4,5'-pyrano[3,4-b]chromen]-2-amine
c1cc2cc[nH]c2c(c1)Nc3c4c(cc(n3)N[C@@H]5CCCC[C@@H]5N)N=CNC4=O	2X6	7-{[(1r,2s)-2-aminocyclohexyl]amino}-5-(1h-indol-7-ylamino)pyrido[4,3-d]pyrimidin-4(3h)-one
[H]/N=C/1\C=CC=COC1=O	2X7	(3e)-3-iminooxepin-2(3h)-one
Cc1c(cc(c(n1)C)CC(=O)O)Cc2nc3c(c(cc(c3s2)F)F)F	2X9	{2,6-dimethyl-5-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-yl}acetic acid
c1ccc(cc1)C(c2ccccc2)(c3ccc(cc3)Cl)SC[C@@H](C(=O)O)N	2XA	(2r)-2-amino-3-[(4-chlorophenyl)-diphenyl-methyl]sulfanyl-propanoic acid
c1cc(ccc1Cc2c[nH]c3c2c(nc(n3)N)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O	2XB	n-{4-[(2-amino-4-hydroxy-7h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzoyl}-l-glutamic acid
c1ccc(cc1)[C@H]2CCCN(C2)/C=C/C(=O)c3ccccc3O	2XC	(2e)-1-(2-hydroxyphenyl)-3-[(3r)-3-phenylpiperidin-1-yl]prop-2-en-1-one
c1ccc(c(c1)C(=O)/C=C/N2CCc3c[nH]nc3C2)O	2XD	(2e)-1-(2-hydroxyphenyl)-3-(2,4,5,7-tetrahydro-6h-pyrazolo[3,4-c]pyridin-6-yl)prop-2-en-1-one
c1cc(ccc1S)Br	2XE	4-bromobenzenethiol
CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC1)C(=O)N(Cc2cccc(c2Cl)Cl)C3CC3	2XF	tert-butyl {(3s,5r)-5-[cyclopropyl(2,3-dichlorobenzyl)carbamoyl]piperidin-3-yl}carbamate
c1cc(c(cc1S)F)F	2XG	3,4-difluorobenzenethiol
c1ccc2c(c1)cccc2S	2XH	naphthalene-1-thiol
C[C@H](C(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NC(C)(C)C)O	2XI	(2~{r})-~{n}-[(1~{r})-2-(~{tert}-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-~{n}-(4-~{tert}-butylphenyl)-2-oxidanyl-propanamide
CCCc1c(nc(s1)c2ccc(c(c2)OCC(C)(C)O)OC)CSc3cc(nc(n3)N)N	2XJ	1-(5-(4-(((2,6-diaminopyrimidin-4-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)-2-methylpropan-2-ol
COc1cc(c(cc1OC)[N+](=O)[O-])CC(=O)c2ccc(cc2)C#N	2XK	4-[(4,5-dimethoxy-2-nitrophenyl)acetyl]benzonitrile
CCCc1c(nc(s1)c2ccc(c(c2)O)OC)CSc3nc(cc(n3)N)N	2XL	5-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenol
CCCc1c(nc(s1)c2ccc(c(c2)OCCO)OCCO)CSc3nc(cc(n3)N)N	2XM	2,2'-((4-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-1,2-phenylene)bis(oxy))bis(ethan-1-ol)
Cc1c(nc(s1)c2ccc(c(c2)OCCNS(=O)(=O)C)OC)[C@@H](C)Sc3nc(cc(n3)N)N	2XN	n-{2-[5-(4-{(1r)-1-[(4,6-diaminopyrimidin-2-yl)sulfanyl]ethyl}-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide
c1ccc2c(c1)[nH]c(n2)CS	2XO	1h-benzimidazol-2-ylmethanethiol
[H]/N=C(/C/C=C\C=O)\C(=O)O	2XP	(2z,4z)-2-imino-6-oxohex-4-enoic acid
Cc1c(oc2c1c(ccc2)OCCCNCc3cccnc3)COc4ccc(c(c4F)F)F	2XQ	3-[[3-methyl-2-[[2,3,4-tris(fluoranyl)phenoxy]methyl]-1-benzofuran-4-yl]oxy]-n-(pyridin-3-ylmethyl)propan-1-amine
c1ccc2c(c1)c(c[nH]2)C(=O)CCl	2XR	2-chloro-1-(1h-indol-3-yl)ethanone
c1cc2cccnc2c(c1)NC(=O)c3ccc(cc3)N4C(=O)[C@@H]5[C@@H]6C[C@H]([C@@H]5C4=O)C=C6	2XS	4-[(3ar,4r,7s,7as)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2h-4,7-methanoisoindol-2-yl]-n-(quinolin-8-yl)benzamide
CCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OCc3cn(nn3)Cc4ccccc4)O)O)NC(=O)C	2XT	propyl 2-(acetylamino)-4-o-{3-o-[(1-benzyl-1h-1,2,3-triazol-4-yl)methyl]-beta-d-galactopyranosyl}-2-deoxy-beta-d-glucopyranoside
CCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OCc3cn(nn3)CC(=O)c4cccc(c4)O)O)O)NC(=O)C	2XU	propyl 2-(acetylamino)-2-deoxy-4-o-[3-o-({1-[2-(3-hydroxyphenyl)-2-oxoethyl]-1h-1,2,3-triazol-4-yl}methyl)-beta-d-galactopyranosyl]-beta-d-glucopyranoside
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCC=C)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OCc3cn(nn3)c4nc([nH]n4)N)O)O	2XW	prop-2-en-1-yl 2-(acetylamino)-4-o-(3-o-{[1-(5-amino-1h-1,2,4-triazol-3-yl)-1h-1,2,3-triazol-4-yl]methyl}-beta-d-galactopyranosyl)-2-deoxy-beta-d-glucopyranoside
CC[C@@H]1C(=O)C(=C(O1)C)O	2XX	(2r)-2-ethyl-4-hydroxy-5-methylfuran-3(2h)-one
c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])NN2CCOCC2	2XY	n-[2-nitro-4-(trifluoromethyl)phenyl]morpholin-4-amine
CCCc1c(nc(s1)c2ccc(c(c2)OCCO)OC)CSc3nc(cc(n3)N)N	2XZ	2-(5-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)ethan-1-ol
CCCc1c(nc(s1)c2cccc(c2)OCCNS(=O)(=O)C)CSc3nc(cc(n3)N)N	2Y0	n-(2-(3-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)phenoxy)ethyl)methanesulfonamide
CCCc1c(nc(s1)c2ccc(c(c2)OCCF)OC)[C@@H](C)Sc3nc(cc(n3)N)N	2Y1	(r)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-propylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine
CSC[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@@H](C[C@@H](CC#C)C(=O)NCCN2CCOCC2)O)NC(=O)c3[nH]c4ccccc4n3	2Y2	n-[(2r)-1-{[(2s,3r,5r)-1-cyclohexyl-3-hydroxy-5-{[2-(morpholin-4-yl)ethyl]carbamoyl}oct-7-yn-2-yl]amino}-3-(methylsulfa nyl)-1-oxopropan-2-yl]-1h-benzimidazole-2-carboxamide
CC(C)C[C@H](C[C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O)C(=O)NC	2Y3	n-(tert-butoxycarbonyl)-l-phenylalanyl-n-[(2s,3s,5r)-1-cyclohexyl-3-hydroxy-7-methyl-5-(methylcarbamoyl)octan-2-yl]-l-histidinamide
CCCC[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@H](C(C(=O)NC)(F)F)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)N3CCOCC3	2Y4	n-[(2s)-1-[[(2s)-1-[[(2s,3r)-1-cyclohexyl-4,4-difluoro-3-hydroxy-5-(methylamino)-5-oxo-pentan-2-yl]amino]-1-oxo-hexan-2 -yl]amino]-1-oxo-3-phenyl-propan-2-yl]morpholine-4-carboxamide
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)OP(=O)(O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC	2Y5	(2r)-1-{[(r)-hydroxy{[(1r,2r,3r,4r,5s,6r)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenoate
CC(C)(c1ccnc(c1)c2cccc3c2sc(c3)[C@@H](c4ccccc4Cl)NS(=O)(=O)C5CC5)O	2Y6	n-[(r)-(2-chlorophenyl){7-[4-(2-hydroxypropan-2-yl)pyridin-2-yl]-1-benzothiophen-2-yl}methyl]cyclopropanesulfonamide
Cc1c(nc(s1)c2ccc(c(c2)OCCF)OC)[C@H](C)Sc3nc(cc(n3)N)N	2Y7	(s)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-methylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine
Cc1c(nc(s1)c2ccc(c(c2)OCCF)OC)[C@@H](C)Sc3nc(cc(n3)N)N	2Y8	(r)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-methylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine
CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(c2ccc(cn2)C(C)C)C3CC3	2Y9	(3s,4r,5r)-n-cyclopropyl-n'-[(2r)-1-ethoxy-4-methylpentan-2-yl]-4-hydroxy-n-[5-(propan-2-yl)pyridin-2-yl]piperidine-3,5-dicarboxamide
C[C@H](c1cn(nn1)c2ccc(cc2)Cl)Oc3cc[n+](c4c3cccc4)[O-]	2YA	4-[(1r)-1-[1-(4-chlorophenyl)-1,2,3-triazol-4-yl]ethoxy]-1-oxidanyl-quinoline
Cc1cc(cc(c1c2cccc(c2)COc3ccc4c(c3)OC[C@H]4CC(=O)O)C)OCCCS(=O)(=O)C	2YB	[(3s)-6-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy]biphenyl-3-yl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]acetic acid
C[C@H]1CC=N[C@@H]1C(=O)NCCCC[C@@H](C(=O)O)N	2YC	n~6~-{[(2s,3s)-3-methyl-3,4-dihydro-2h-pyrrol-2-yl]carbonyl}-l-lysine
C[C@H]\1CC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C3=C(C(=O)C(=C4[C@@H]3C[C@@](O4)([C@H](C[C@@H](C/C(=C1)/C)C)C)O)C)O)C)O)C	2YD	(5r,6r,7s,8r,9r,12s,13e,16s,18s,19r,20ar)-4,7,19-trihydroxy-2,6,8,12,14,16,18-heptamethyl-6,7,8,9,10,11,12,15,16,17,18,19,20,20a-tetradecahydro-1,19:5,9-diepoxybenzo[18]annulen-3(5h)-one
CN(C)C(=O)c1cc(ccc1N)c2cc3cc[nH]c3nc2	2YE	2-amino-n,n-dimethyl-5-(1h-pyrrolo[2,3-b]pyridin-5-yl)benzamide
C1CC=N[C@H](C1)C(=O)NCCCC[C@@H](C(=O)O)N	2YF	n~6~-[(2r)-2,3,4,5-tetrahydropyridin-2-ylcarbonyl]-l-lysine
C(CCN)C[C@@H](C(=O)NCCCC[C@@H](C(=O)O)N)N	2YG	n~6~-l-lysyl-l-lysine
C(C[C@H](C(=O)NCCC[C@@H](C(=O)O)N)N)CN	2YH	n~5~-d-ornithyl-l-ornithine
CCC(CC)(C=O)C(=O)Nc1cc(cc(c1)C(=O)OC)C(=O)N2CCN(CC2)Cc3ccc(cc3)Br	2YI	methyl 3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonyl-5-[(2-ethyl-2-methanoyl-butanoyl)amino]benzoate
C(CCN)C[C@H](C(=O)NCCC[C@@H](C(=O)O)N)N	2YJ	n~5~-d-lysyl-l-ornithine
Cn1cc(cn1)c2nnc3n2nc(cc3)Sc4cc(ccc4OC)OC	2YK	6-[(2,5-dimethoxyphenyl)sulfanyl]-3-(1-methyl-1h-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazine
c1ccc(cc1)C2=NC(=O)NC(=N2)N	2YL	6-amino-4-phenyl-1,3,5-triazin-2(1h)-one
c1c2c(cc3c1nc([nH]3)NCCN4CCCCC4)NC(=NC2=O)N	2YM	6-amino-2-{[2-(piperidin-1-yl)ethyl]amino}-3,5-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O	2YN	(1r,3s,4s,5r,6s)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)]
c1c2c(cc3c1nc([nH]3)NCCN4CCCCC4)NC=NC2=O	2YO	2-{[2-(piperidin-1-yl)ethyl]amino}-3,5-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O2)NC(=O)C	2YP	(2r)-2-[[(1r,2s,3r,4r,5r)-4-acetamido-2-[(2s,3r,4r,5s,6r)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanoic acid
Cn1c(ncn1)[C@@H]2[C@H](Nc3cc(cc4c3C2=NNC4=O)F)c5ccc(cc5)F	2YQ	(8s,9r)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1h-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3h-pyrido[4,3,2-de]phthalazin-3-one
C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)NCCS)COP(=O)(O)O)O	2YR	2'-deoxy-n-(2-sulfanylethyl)cytidine 5'-(dihydrogen phosphate)
CC(C)C[C@@H](C(=O)N[C@@H](CCCCN)[C@@H](CCl)O)NC(=O)[C@@H](C(C)C)N	2YS	d-valyl-n-[(2s,3s)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-l-leucinamide
[H]/N=C(/N)\NCCC[C@@H]([C@@H](CCl)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccccc2)N	2YT	l-phenylalanyl-n-[(2s,3s)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-l-phenylalaninamide
CC1=CC(=S)N(C=C1)O	2YU	1-hydroxy-4-methylpyridine-2(1h)-thione
c1ccc(cc1)CCNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N	2YV	6-amino-2-[(2-phenylethyl)amino]-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
COC(=O)c1ccc(cc1)CCNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N	2YW	methyl 4-{2-[(6-amino-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-2-yl)amino]ethyl}benzoate
c1cc(ccc1CCNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N)C#N	2YX	4-{2-[(6-amino-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-2-yl)amino]ethyl}benzonitrile
c1cc(ccc1CCNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N)C(=O)O	2YY	4-{2-[(6-amino-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-2-yl)amino]ethyl}benzoic acid
c1ccc(cc1)CNC(=O)c2ccc(cc2OCC(=O)O)F	2YZ	[2-(benzylcarbamoyl)-5-fluorophenoxy]acetic acid
CN(C)c1cccc2c1ccc(c2)S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)CCl	2Z0	n-{[5-(dimethylamino)naphthalen-2-yl]sulfonyl}-l-alpha-glutamyl-n-[(1s)-4-{[amino(iminio)methyl]amino}-1-(chloroacetyl) butyl]glycinamide
	2Z3	n-(morpholin-4-ylcarbonyl)-l-phenylalanyl-n-[(1r)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-(methylamino)-4-oxobutyl]-l-norleucinamide
CC(C)[C@@H](C(=O)NCc1ccc(cc1O)OC)NC(=O)[C@@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)OCc3ccccc3)O)NCc4ccc(cc4)OC	2Z4	benzyl [(1r)-1-({(1s,2s,3s)-1-benzyl-2-hydroxy-4-({(1s)-1-[(2-hydroxy-4-methoxybenzyl)carbamoyl]-2-methylpropyl}amino)-3-[(4-methoxybenzyl)amino]-4-oxobutyl}carbamoyl)-2,2-dimethylpropyl]carbamate
	2Z5	6-ammonio-n-(trifluoroacetyl)-l-norleucyl-n-[4-(trifluoromethyl)phenyl]-l-alaninamide
c1cc(ccc1CCN)S(=O)(=O)OC[C@@H](C(=O)O)N	2ZC	o-{[4-(2-aminoethyl)phenyl]sulfonyl}-l-serine
C[C@]12CC[C@H]([C@@]([C@@H]1CC[C@@H]3[C@@]24CC[C@@]([C@H](C3)C4)(CO)O)(C)CO)O	2ZE	(3r,4r,4ar,6as,8r,9r,11as,11bs)-4,9-bis(hydroxymethyl)-4,11b-dimethyltetradecahydro-8,11a-methanocyclohepta[a]naphthale ne-3,9-diol
	2ZF	n-(tert-butoxycarbonyl)-l-alpha-glutamyl-n-[(1r)-1-(carboxycarbonyl)-3,3-difluoropropyl]-l-leucinamide
Cc1cccc2c1N=C(NC2=O)c3ccc(cc3)C(F)(F)F	2ZI	8-methyl-2-[4-(trifluoromethyl)phenyl]-3h-quinazolin-4-one
Cc1cc(ccc1F)S(=O)(=O)N(Cc2ccccc2)[C@H](C)C(=O)NO	2ZL	n~2~-benzyl-n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-d-alaninamide
c1cc2c(cc1[N+](=O)[O-])nc[nH]2	2ZM	5-nitro-1h-benzimidazole
C[N+](C)(C)CCCC=O	2ZO	n,n,n-trimethyl-4-oxobutan-1-aminium
c1cc2cccnc2c(c1)[N+](=O)[O-]	2ZQ	8-nitroquinoline
CC(C)OC(=O)[C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](CSC)NC(=O)[C@H](Cc2ccccc2)NC(=O)N3CCOCC3)O	2ZS	n-(morpholin-4-ylcarbonyl)-l-phenylalanyl-n-[(1r,2s)-1-(cyclohexylmethyl)-2-hydroxy-3-(1-methylethoxy)-3-oxopropyl]-s-methyl-l-cysteinamide
c1ccc2c(c1)ccc(n2)COc3ccc4cccnc4c3	2ZT	2-[(quinolin-7-yloxy)methyl]quinoline
Cc1nc2cc(ccc2s1)OCc3ccc4ccccc4n3	2ZU	2-{[(2-methyl-1,3-benzothiazol-5-yl)oxy]methyl}quinoline
Cc1ccnc(c1[N+](=O)[O-])N	2ZV	4-methyl-3-nitropyridin-2-amine
Cc1c(c(no1)c2ccccc2Cl)C(=O)Nc3ccc(cc3)C(C)C	2ZW	3-(2-chlorophenyl)-5-methyl-n-[4-(propan-2-yl)phenyl]-1,2-oxazole-4-carboxamide
c1c(nc(nc1Cl)N)N	2ZX	6-chloropyrimidine-2,4-diamine
CC1=N/C(=C\c2cc(c(c(c2)F)O)F)/C(=O)N1CC(F)(F)F	2ZY	(5z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2-methyl-3-(2,2,2-trifluoroethyl)-3,5-dihydro-4h-imidazol-4-one
CC1=N/C(=C\c2cccc(c2)Br)/C(=O)N1C	2ZZ	(5z)-5-(3-bromobenzylidene)-2,3-dimethyl-3,5-dihydro-4h-imidazol-4-one
COc1cccc(c1OP(=O)(O)O)C=O	300	2-formyl-6-methoxyphenyl dihydrogen phosphate
C\C=C/C\C=N\c1c2c([nH]cn2)ncn1	301	n6-(penta-2,3-dienyl)adenine
c1cc(ccc1\C=N\OCCO/N=C/C2=CC(=O)NC(=O)N2)C(=O)O	302	4-[(1e,7e)-8-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl]benzoic acid
CC(C)[C@H]1c2cc(ccc2CCN1)NC(=O)c3ccc4cc(ccc4c3)C(=N)N	303	6-[(z)-amino(imino)methyl]-n-(1-isopropyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-2-naphthamide
CC[C@@H](C)Nc1ncc(s1)C(=O)Nc2cc(ccc2C)C(=O)NC	304	n-[2-methyl-5-(methylcarbamoyl)phenyl]-2-{[(1r)-1-methylpropyl]amino}-1,3-thiazole-5-carboxamide
c1cc2c(cc1CN3CCCCC3)cc([nH]2)C4=Cc5cc(ccc5NC4=O)c6c[nH]nc6	306	3-[5-(piperidin-1-ylmethyl)-1h-indol-2-yl]-6-(1h-pyrazol-4-yl)quinolin-2(1h)-one
Cc1cc2c(cc1C)OC=C(C2=O)CN(C)CCN(C)Cc3cn(c4c3cccc4)c5cccc(c5)C(F)(F)F	307	6,7-dimethyl-3-[(methyl{2-[methyl({1-[3-(trifluoromethyl)phenyl]-1h-indol-3-yl}methyl)amino]ethyl}amino)methyl]-4h-chromen-4-one
C1C2CC3CC1CC(C2)(C3)N	308	(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-amine
c1ccc(cc1)Cc2c(nc3c(cnn3c2O)C(=O)O)Cl	30A	6-benzyl-5-chloro-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Cc1c(ccc2c1nc(cc2O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(CCCC/C=C\[C@@H]5C[C@]5(NC4=O)C(=O)NS(=O)(=O)C6CC6)C)c7nc(cs7)C(C)C)OC	30B	(2r,3ar,10z,11as,12ar,14ar)-n-(cyclopropylsulfonyl)-2-({7-methoxy-8-methyl-2-[4-(1-methylethyl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1h)-carboxamide
CC[C@H]1C[N@@](CC[C@H]1C(=O)O)c2c(ncc(n2)c3cc(c(c(c3)OC)OC)OC)N	30E	(3r,4r)-1-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-3-ethylpiperidine-4-carboxylic acid
C(=C(/C(=O)O)\N)\[SeH]	30F	(2z)-2-amino-3-selanylprop-2-enoic acid
c1ccc2c(c1)N3CC(=O)NN=C3CO2	30G	3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1h)-one
Cc1cc(ccc1F)S(=O)(=O)N(Cc2cccnc2)[C@H](C)C(=O)NO	30H	n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-n~2~-(pyridin-3-ylmethyl)-d-alaninamide
[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cnc(nc2)OC)N3CCCCCC3)N	30I	3-azanyl-5-(azepan-1-yl)-n-carbamimidoyl-6-(2-methoxypyrimidin-5-yl)pyrazine-2-carboxamide
C[C@@H]1CN(CCN1c2ccc(cn2)C#N)c3c4cc(ccc4c(nn3)Cc5ccccc5)Cl	30J	6-[(2r)-4-(4-benzyl-7-chlorophthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile
CCN1CCC(CC1)Nc2ccc3c(c2)/C(=C(\c4ccccc4)/c5[nH]c6ccc(cc6n5)OC)/C(=O)N3	30K	(3z)-5-[(1-ethylpiperidin-4-yl)amino]-3-[(5-methoxy-1h-benzimidazol-2-yl)(phenyl)methylidene]-1,3-dihydro-2h-indol-2-one
c1cc(cc(c1)[N+](=O)[O-])CNC(=O)c2ccc(cc2OCC(=O)O)F	30L	{5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid
CC(=O)NCCCCn1c2ccccc2c3c1CCNC3=O	30M	n-[4-(1-oxo-1,2,3,4-tetrahydro-5h-pyrido[4,3-b]indol-5-yl)butyl]acetamide
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS(=O)O)O	30N	(3r,5s,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3,5-diphosphaheptadecane-17-sulfinic acid 3,5-dioxide (non-preferred name)
Cc1cc(ccc1F)S(=O)(=O)N(Cc2ccc(cc2)[N+](=O)[O-])[C@H](C)C(=O)NO	30O	n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-n~2~-(4-nitrobenzyl)-d-alaninamide
Cc1cc(ccc1F)S(=O)(=O)N(Cc2cccc(c2)N)[C@H](C)C(=O)NO	30P	n~2~-(3-aminobenzyl)-n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-d-alaninamide
CCC(=O)NCCSC(=O)[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C	30Q	s-[2-(propanoylamino)ethyl] (2s)-2-[(8s,9s,10r,13s,14s,17r)-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3h-cyclopenta[a]phenanthren-17-yl]propanethioate (non-preferred name)
Cc1cc(ccc1F)S(=O)(=O)N(Cc2ccc(cc2)CN)[C@H](C)C(=O)NO	30R	n~2~-[4-(aminomethyl)benzyl]-n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-d-alaninamide
c1ccc(c(c1)COc2cccc3c2c(nc(n3)N)N)S(=O)(=O)O	30S	2-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid
c1ccc(cc1)c2cc(n[nH]2)Nc3cc(cc(n3)NC4CCC(CC4)O)S(=O)(=O)c5ccccc5	30T	trans-4-({6-[(5-phenyl-1h-pyrazol-3-yl)amino]-4-(phenylsulfonyl)pyridin-2-yl}amino)cyclohexanol
c1cc2c(c(c1)OCc3ccc(cc3)S(=O)(=O)O)c(nc(n2)N)N	30U	4-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid
c1ccc(c(c1)C(=O)N)[Se]SC[C@@H](C(=O)O)N	30V	s-[(2-carbamoylphenyl)selanyl]-l-cysteine
CC(=O)NC1=Nc2c(nc(cn2)C=O)C(=O)N1	30W	n-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide
C[C@@H](C(=O)N(C)C)[N@@](CC(F)(F)F)c1ccc(c(c1)C(F)(F)F)C#N	30X	n~2~-[4-cyano-3-(trifluoromethyl)phenyl]-n,n-dimethyl-n~2~-(2,2,2-trifluoroethyl)-l-alaninamide
C[C@@H](Cc1ccc(c(c1)O)O)[C@@H](C)Cc2ccc(c(c2)O)O	30Z	4-[(2r,3s)-3-[(3,4-dihydroxyphenyl)methyl]-2-methylbutyl]benzene-1,2-diol
[H]/N=C(\N)/NC(=O)Cn1c(ccc1c2ccccc2Cl)c3ccc(cc3)Oc4ccc(cc4)C(=O)C	310	n-carbamimidoyl-2-[2-(2-chlorophenyl)-5-[4-(4-ethanoylphenoxy)phenyl]pyrrol-1-yl]ethanamide
Cc1ccc(cc1F)c2cccc(n2)C(=O)N3CCCC(C3)(C)C	311	(3,3-dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone
COc1ccccc1c2cc(cc(c2[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N)[C@@H](CC(=O)[O-])C(=O)[O-]	312	2-(5-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-2'-methoxy-6-oxido-1,1'-biphenyl-3-yl)succinate
CS(C)CC(=O)O	313	(dimethyl-lambda~4~-sulfanyl)acetic acid
CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[C@H](CCN3)Cc4ccccc4)O)C	314	n'-[(1s,2r)-2-[(2r,4s)-4-benzylpiperidin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-n,n-dipropylbenzene-1,3-dicarboxamide
CS(=O)(=O)c1ccc(c(c1)F)C2NC(ON2)[C@@H](CC3CC3)[C@@H](C(=O)N4CC[C@@H](C4)F)N	315	(2s,3s)-4-cyclopropyl-3-{(3r,5r)-3-[2-fluoro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazolidin-5-yl}-1-[(3s)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-amine
CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C(=O)N(CCN3)Cc4ccccc4)O)C	316	n'-[(1s,2s)-2-[(2s)-4-benzyl-3-oxopiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-n,n-dipropylbenzene-1,3-dicarboxamide
CS(=O)(=O)c1ccc(c(c1)Cl)c2nc(on2)[C@@H](CC3CC3)[C@@H](C(=C4CCCC4)F)N	317	(2s,3s)-3-{3-[2-chloro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-cyclopentylidene-4-cyclopropyl-1-fluorobutan-2-amine
CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C(=O)N(CN3)Cc4ccccc4)O)C	318	n'-[(1s,2s)-2-[(4s)-1-benzyl-5-oxoimidazolidin-4-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-n,n-dipropylbenzene-1,3-dicarboxamide
c1cc(ccc1CC(=O)NC(=O)Nc2ccc(c(c2)F)Oc3ccnc(c3)N)F	319	n-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}carbamoyl)-2-(4-fluorophenyl)acetamide
[H]/N=C(\Cc1cccc(c1)OC)/NC(=O)c2ccccc2OC3CCNCC3	31A	n-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1[C@H]([C@H]([C@H](O1)c2[nH]c3c(n2)c(ncn3)N)O)O)[C@H](C(=O)NCCC(=O)NCCOC(=O)c4ccccc4)O	31B	benzoyl-oxydephosphocoenzyme a
CC(C)(C)c1ccc(cc1)C(=O)Nc2ccccc2C(=O)Nc3ccc(cc3)C(=O)O	31D	4-({2-[(4-tert-butylbenzoyl)amino]benzoyl}amino)benzoic acid
c1cc(oc1)C/N=C\S	31E	(z)-[(furan-2-ylmethyl)imino]methanethiol
c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)S(=O)(=O)N	31F	4-(4-oxidanylidene-3h-quinazolin-2-yl)benzenesulfonamide
c1cc(cc(c1)S(=O)(=O)O)COc2cccc3c2c(nc(n3)N)N	31G	3-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid
CSCC[C@@H](C(=O)N[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2ncnc3N)COP(=O)(O)O)NC=O	31H	3'-deoxy-3'-[(n-formyl-l-methionyl)amino]adenosine 5'-(dihydrogen phosphate)
CC(C)[C@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N	31I	(2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(propan-2-yl)phthalazin-2(1h)-yl]prop-2-en -1-one
Cc1c(c(cc2c1OC(=O)C(=C2C)CCOCCOC)OC)O	31J	7-hydroxy-6-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4,8-dimethyl-2h-chromen-2-one
Cc1cc(cc(c1O)OC)c2ccc3c(c2)OCCN3C	31K	2-methoxy-6-methyl-4-(4-methyl-3,4-dihydro-2h-1,4-benzoxazin-7-yl)phenol
Cc1cc(cc(c1O)OC)c2ccc(cc2)N3CCOCC3	31L	3-methoxy-5-methyl-4'-(morpholin-4-yl)biphenyl-4-ol
CSCC[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)COP(=O)(O)O)N	31M	3'-deoxy-3'-[(l-methionyl-l-phenylalanyl)amino]adenosine 5'-(dihydrogen phosphate)
COc1ccc2c(n1)c(c(cn2)F)C[C@@H](C34CCC(CC3)(CO4)NCc5ccc6c(n5)NC(=O)CO6)O	31N	6-[({(1r,4s)-1-[(1s)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]oct-4-yl}amino)methyl]-2h-pyrido[3,2-b][1,4]oxazin-3(4h)-one
Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2[C@@H](C)C(=O)OC)c4ccc(cc4)Cl)OC	31O	methyl (2r)-2-[(4s)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]propanoate
CC[C@H]([C@H]1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C)C(=O)OC	31P	methyl (2r)-2-[(4s)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]butanoate
c1cc(ccc1C(=O)O)[Hg]SC[C@@H](C(=O)O)N	31Q	(4-carboxyphenyl)(l-cysteinato-kappas~3~)mercury
c1ccc(cc1)C2=CC(=O)Oc3c2cc(c(c3)O)CCC(=O)O	31R	3-(7-hydroxy-2-oxo-4-phenyl-2h-chromen-6-yl)propanoic acid
c1ccc(cc1)c2ccc(cc2)/C(=C\C(=O)O)/CCc3ccc(cc3)Cl	31S	(2z)-3-(biphenyl-4-yl)-5-(4-chlorophenyl)pent-2-enoic acid
c1ccc(cc1)C2=CC(=O)Oc3c2cc(c(c3)O)CCC4=NNC(=O)C(=C4)O	31T	4-hydroxy-6-[2-(7-hydroxy-2-oxo-4-phenyl-2h-chromen-6-yl)ethyl]pyridazin-3(2h)-one
[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)N)\N	31U	d-leucyl-n-(4-carbamimidoylbenzyl)-l-prolinamide
Cc1cn(cn1)c2ccc(cc2OC)c3cn(nn3)CC(=O)Nc4cc(nn4c5ccccc5)C6CC6	31V	n-(3-cyclopropyl-1-phenyl-1h-pyrazol-5-yl)-2-{4-[3-methoxy-4-(4-methyl-1h-imidazol-1-yl)phenyl]-1h-1,2,3-triazol-1-yl}acetamide
c1cc(cc(c1)c2nccs2)CN(C3CC3)C(=O)Nc4ccc(cc4)OC(F)(F)F	31W	1-cyclopropyl-1-[3-(1,3-thiazol-2-yl)benzyl]-3-[4-(trifluoromethoxy)phenyl]urea
c1ccc(cc1)c2nc(no2)Cn3c4ccnc(c4cc3C(=O)O)c5cccc6c5cccc6	31X	4-(naphthalen-1-yl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1h-pyrrolo[3,2-c]pyridine-2-carboxylic acid
c1cc(cnc1)CNc2ccc3c(n2)c(ncn3)Nc4ccc(cc4)N5CCOCC5	31Y	n~4~-[4-(morpholin-4-yl)phenyl]-n~6~-(pyridin-3-ylmethyl)pyrido[3,2-d]pyrimidine-4,6-diamine
CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)Cc3ccc(c(c3F)Oc4cccc(c4)Cl)C(=O)O	31Z	2-(3-chlorophenoxy)-3-fluoro-4-{[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]methyl}benzoic acid
c1cc(ccc1CC(=O)NC(=O)Nc2ccc(c(c2)F)Oc3ccnc4c3cc[nH]4)F	320	2-(4-fluorophenyl)-n-{[3-fluoro-4-(1h-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide
CC(C)CCN1C(=O)C(=C(C(=N1)c2cccs2)O)C3=Nc4ccc(cc4S(=O)(=O)C3)NS(=O)(=O)C	321	n-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2h-1,4-benzothiazin-7-yl}methanesulfonamide
CCOc1cc(c(c(c1O)Br)Br)C[C@@H]2C(=O)N(C(=S)S2)CC(=O)O	322	[(5r)-5-(2,3-dibromo-5-ethoxy-4-hydroxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4ccc(cc4C(=O)[O-])C=O	323	2-[3,6-bis(dimethylamino)xanthen-9-yl]-5-methanoyl-benzoate
CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)Cl)F	324	n-{3-[(5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide
CCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4cccnc4)F	325	n-{2,4-difluoro-3-[(5-pyridin-3-yl-1h-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide
Cc1cc(ccc1n2c(c(c(n2)C)/N=N/c3cc(ccc3C(=O)O)S(=O)(=O)O)O)S(=O)(=O)O	326	2-{(e)-[5-hydroxy-3-methyl-1-(2-methyl-4-sulfophenyl)-1h-pyrazol-4-yl]diazenyl}-4-sulfobenzoic acid
[H]/N=C/1\c2c(ccs2)OC[C@@H](N1)CCC	327	(3s,5e)-3-propyl-3,4-dihydrothieno[2,3-f][1,4]oxazepin-5(2h)-imine
COc1ccnc(c1)NC2CCN(CC2)C(=O)c3ccc(cc3)C#N	328	4-({4-[(4-methoxypyridin-2-yl)amino]piperidin-1-yl}carbonyl)benzonitrile
C[C@H]1CN=C(c2c(ccs2)O1)N	329	(2s)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine
CCCCC#Cc1ccc(o1)C(=O)NNC(=S)NC	32A	2-[(5-hex-1-yn-1-ylfuran-2-yl)carbonyl]-n-methylhydrazinecarbothioamide
CC[C@H](c1ccc(c(c1OC)Oc2cccc(c2)Cl)C(=O)O)N3CCC[C@@H](C3)N4C=C(C(=O)NC4=O)C	32B	2-(3-chlorophenoxy)-3-methoxy-4-{(1r)-1-[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]propyl}benzoic acid
CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)[C@H](CC(C)C)c3ccc(c(c3F)Oc4cccc(c4)Cl)C(=O)O	32C	2-(3-chlorophenoxy)-3-fluoro-4-{(1r)-3-methyl-1-[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]butyl}benzoic acid
c1cc(cc(c1)[C@@]2(c3cccc(c3C(=N2)N)F)c4ccnc(c4)C(F)F)c5cncnc5	32D	(1s)-1-[2-(difluoromethyl)pyridin-4-yl]-4-fluoro-1-(3-pyrimidin-5-ylphenyl)-1h-isoindol-3-amine
CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)[C@@H](CC(C)C)c3ccc(c(c3F)Oc4cccc(c4)Cl)C(=O)O	32E	2-(3-chlorophenoxy)-3-fluoro-4-{(1s)-3-methyl-1-[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]butyl}benzoic acid
c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)OCC(=O)O	32F	2-[4-(4-oxidanylidene-3h-quinazolin-2-yl)phenoxy]ethanoic acid
c1c(nnn1CCCCn2cnc3c2ncnc3N)CCCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5	32G	(3as,4s,6ar)-4-(5-{1-[4-(6-amino-9h-purin-9-yl)butyl]-1h-1,2,3-triazol-4-yl}pentyl)tetrahydro-1h-thieno[3,4-d]imidazol-2(3h)-one
c1cc(ccc1c2c3c(sc2Br)NC(=O)C(=C3O)C#N)Br	32H	2-bromo-3-(4-bromophenyl)-4-hydroxy-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile
[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cnc(nc2OC)OC)N3CCCCCC3)N	32I	3-azanyl-5-(azepan-1-yl)-n-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide
c1ccc(c(c1)c2ccc(cc2)c3c4c(sc3Cl)NC(=O)C(=C4O)C#N)O	32J	2-chloro-4-hydroxy-3-(2'-hydroxybiphenyl-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile
CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)Cc3ccc(c(c3OC)Oc4cccc(c4)Cl)C(=O)O	32K	2-(3-chlorophenoxy)-3-methoxy-4-{[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]methyl}benzoic acid
CCOC(=O)C[C@@H]([C@H](CC(C)C)N)O	32L	ethyl (3s,4s)-4-amino-3-hydroxy-6-methylheptanoate
CCCCCCCCOCCOCCOCCOCCOCCOCCO	32M	3,6,9,12,15,18-hexaoxahexacosan-1-ol
CC1=C(C(C[C@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@H]2C(=C[C@H](CC2(C)C)O)C)/C)/CO	32N	(1s)-4-[(1e,3z,5e,7e,9e,11e,13e,15e,17e)-3-(hydroxymethyl)-7,12,16-trimethyl-18-[(1r,4s)-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-3-en-1-ol
C([C@H]1[C@@H]([C@@H]([C@H](O1)O)O)O)O	32O	beta-l-ribofuranose
C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)OS(=O)(=O)Cc3ccccc3)OCC(=O)NCCCCCN	32P	3-{2-[(5-aminopentyl)amino]-2-oxoethoxy}-5-({[1-(4-fluorophenyl)ethyl]amino}carbonyl)phenyl phenylmethanesulfonate
c1ccc(cc1)CC[C@H](N)P(=O)(C[C@@H](Cc2ccc(cc2)CN)C(=O)O)O	32Q	(2s)-2-[4-(aminomethyl)benzyl]-3-[(r)-[(1r)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid
c1ccc(cc1)CC[C@H](N)P(=O)(C[C@H](Cc2ccc(cc2)CN)C(=O)O)O	32R	(2r)-2-[4-(aminomethyl)benzyl]-3-[(r)-[(1r)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid
c1c[se]c2c1[nH]cc2C[C@@H](C(=O)O)N	32S	(s)-2-amino-3-(4h-selenolo[3,2-b]-pyrrol-6-yl)-propionic acid
c1csc2c1[nH]cc2C[C@@H](C(=O)O)N	32T	(s)-2-amino-3-(4h-thieno[3,2-b]-pyrrol-6-yl)-propionic acid
c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(cc3)C(=[NH2+])N)N	32U	d-phenylalanyl-n-{4-[amino(iminio)methyl]benzyl}-l-prolinamide
CCN1C(=O)c2c(c(cs2)C#C)N=C1NC3CCCC3	32V	2-(cyclopentylamino)-3-ethyl-7-ethynylthieno[3,2-d]pyrimidin-4(3h)-one
COCCNC(=O)c1ccc(cc1)Nc2ncc3cc(ccc3n2)c4ccncc4	32W	n-(2-methoxyethyl)-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide
c1cc2c(c(c1)N)CC=NC2=O	32X	5-aminoisoquinolin-1(4h)-one
c1cc2c(c(c1N)I)C=CC(=O)O2	32Y	6-amino-5-iodo-2h-chromen-2-one
c1cc2c(c(c1)OCCCCN3CCCCC3)CCNC2=O	32Z	5-[4-(piperidin-1-yl)butoxy]-3,4-dihydroisoquinolin-1(2h)-one
COc1ccccc1c2cc3c(c4cc(ccc4n3CCCO)O)c5c2C(=O)NC5=O	330	9-hydroxy-6-(3-hydroxypropyl)-4-(2-methoxyphenyl)pyrrolo[3,4-c]carbazole-1,3(2h,6h)-dione
CCCCCCCN(CCc1ccc(cc1)O[C@@](C)(CC)C(=O)O)C(=O)Nc2ccc(cc2F)F	331	(2s)-2-(4-[2-(3-[2,4-difluorophenyl]-1-heptylureido)ethyl]phenoxy)-2-methylbutyric acid
c1cc2c(cc1OC[C@@H]3COc4ccsc4C(=N3)N)CNCC2	332	(3r)-3-[(1,2,3,4-tetrahydroisoquinolin-7-yloxy)methyl]-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine
c1cc(ccc1n2ccnc2)Oc3nccc(n3)Oc4ccc5c(c4)OCO5	333	4-(1,3-benzodioxol-5-yloxy)-2-[4-(1h-imidazol-1-yl)phenoxy]pyrimidine
Cc1cc(c(c(c1)Br)[O-])c2[nH]c3ccc(cc3n2)C(=[NH2+])N	334	2-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-6-bromo-4-methylbenzenolate
c1ccc(cc1)C(Cc2ccc(cc2)C(F)(F)P(=O)(O)O)(Cc3ccc(cc3)C(F)(F)P(=O)(O)O)n4c5ccccc5nn4	335	[4-(2-(1h-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-phenylpropyl)phenyl](difluoro)methylphosphonic acid
c1c(cc(c2c1CCc3cc(cnc3[C@@H]2C4CCN(CC4)C(=O)CC5CCN(CC5)C(=O)N)Br)Br)Cl	336	4-{2-[4-(3,10-dibromo-8-chloro-6,11-dihydro-5h-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)piperidin-1-yl]-2-oxoethyl}piperidine-1-carboxamide
Cc1ccc(cc1n2cc(nn2)C(=O)NCc3ccccc3)C(=O)Nc4cc(cc(c4OC)NS(=O)(=O)C)C(C)(C)C	337	n-benzyl-1-[5-({5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl}carbamoyl)-2-methylphenyl]-1h-1,2,3-triazole-4-carboxamide
c1cc2c(cccc2O)c(c1)c3nc4ccc(cc4o3)O	338	2-(5-hydroxy-naphthalen-1-yl)-1,3-benzooxazol-6-ol
CC(C)[C@@H](C(=O)N[C@@H](CCCNC(N)N)C(=O)c1nccs1)NC(=O)[C@H](CCCNC(=O)N)NC(=O)N[C@H](C)c2ccc(cc2)Br	339	(s)-2-(3-((r)-1-(4-bromophenyl)ethyl)ureido)-n-((s)-1-((s)-5-guanidino-1-oxo-1-(thiazol-2-yl)pentan-2-ylamino)-3-methyl-1-oxobutan-2-yl)-5-ureidopentanamide
c1ccc(cc1)CNC(=O)c2cc(c[nH]2)c3c(c[nH]n3)c4cccc(c4)Cl	33A	n-benzyl-4-[4-(3-chlorophenyl)-1h-pyrazol-3-yl]-1h-pyrrole-2-carboxamide
c1cc(c(cc1/N=N/c2ccc(c(c2)S(=O)(=O)O)NC(=O)CCl)S(=O)(=O)O)NC(=O)CCl	33B	3,3'-(e)-diazene-1,2-diylbis{6-[(chloroacetyl)amino]benzenesulfonic acid}
c1cc2cccnc2c(c1)NC(=O)c3ccc(cc3)N4C(=O)[C@@H]5[C@@H]6CC[C@@H](C6)[C@@H]5C4=O	33C	4-[(3ar,4r,7s,7as)-1,3-dioxooctahydro-2h-4,7-methanoisoindol-2-yl]-n-(quinolin-8-yl)benzamide
CC(C)(C)CCO	33D	3,3-dimethylbutan-1-ol
c1cc(c(cc1C(=O)N)[N+](=O)[O-])I	33E	4-iodo-3-nitrobenzamide
CC[C@H](C)NC(=O)c1ccc(nn1)N2CCN([C@H](C2)C(=O)NCc3ccc(cc3)OC(F)(F)F)S(=O)(=O)c4ccc(cc4)OC(F)(F)F	33F	n-[(2s)-butan-2-yl]-6-[(3r)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazin-1-yl]pyridazine-3-carboxamide
Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)c4cccc(c4)F)C#N)C5CCC5)C#N)N	33G	(4s)-6-amino-4-(5-cyano-3'-fluorobiphenyl-3-yl)-4-cyclobutyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
C[C@H](C[C@@H]1C(=O)N([C@@H](CO1)C2CCCCC2)c3cc(sc3C(=O)O)C#CC(C)(C)C)O	33H	3-{(2r,5r)-5-cyclohexyl-2-[(2r)-2-hydroxypropyl]-3-oxomorpholin-4-yl}-5-(3,3-dimethylbut-1-yn-1-yl)thiophene-2-carboxylic acid
CC1(CCN(CC1)C2=Nc3c(c(n[nH]3)c4cccc(c4)Cl)C(=O)N2)N	33I	6-(4-amino-4-methylpiperidin-1-yl)-3-(3-chlorophenyl)-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
c1ccc(cc1)c2cc(c(s2)C(=O)O)N3[C@H](CCC3=O)C4CCCCC4	33J	3-[(2r)-2-cyclohexyl-5-oxopyrrolidin-1-yl]-5-phenylthiophene-2-carboxylic acid
c1ccc(cc1)CN(CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)O)CC(=O)O	33K	n-benzyl-n-(carboxymethyl)glycyl-l-histidine
c1ccc(cc1)C[C@@H](C(=O)NCCN)NC(=O)c2ccccc2	33L	n-(2-aminoethyl)-nalpha-benzoyl-l-phenylalaninamide
CN(c1cccc2c1cccc2)c3cc4c(nc(nc4nc3)N)N	33M	n~6~-methyl-n~6~-(naphthalen-1-yl)pyrido[2,3-d]pyrimidine-2,4,6-triamine
c1ccc(cc1)C(CCNC(=O)c2cccnc2)c3ccccc3	33N	n-(3,3-diphenylpropyl)pyridine-3-carboxamide
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O	33O	3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol
Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@@H](C)OP(=O)(O)O)O	33P	{3-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl)-amino]-2-methyl-propyl}-phosphonic acid
c1ccc(c(c1)C/C(=N\Nc2nc(cs2)c3ccc(c(c3)Cl)Cl)/C(=O)O)N(=O)=O	33R	(2e)-2-{2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid
c1cc(cc(c1)I)C[C@@H](C(=O)O)N	33S	3-iodo-l-phenylalanine
C[C@@H]1C[N@](CC[N@@]1S(=O)(=O)c2ccc(cc2Cl)C(=O)N)c3ccc(cc3C(F)(F)F)F	33T	3-chloro-4-({(2r)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl}sulfonyl)benzamide
[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](C(c3ccccc3)c4ccccc4)N)\N	33U	beta-phenyl-d-phenylalanyl-n-(4-carbamimidoylbenzyl)-l-prolinamide
C1CSCN2[C@@H]1C[C@@H](N2)[C@@H]3[C@H](CN[C@@H](CS3)C(=O)O)CO	33V	(3r,6r,7s)-7-[(2r,3ar)-hexahydropyrazolo[1,5-c][1,3]thiazin-2-yl]-6-(hydroxymethyl)-1,4-thiazepane-3-carboxylic acid
c1cc(sc1C[C@@H](C(=O)O)N)Br	33W	3-(5-bromothiophen-2-yl)-l-alanine
C[C@H](C(=O)O)NC	33X	n-methyl-d-alanine
CC(C)OC(=O)C1=CN(CC(c2c1[nH]c3c2cccc3)(C)C)C(=O)c4ccc(c(c4)F)F	33Y	1-methylethyl 3-[(3,4-difluorophenyl)carbonyl]-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
[H]/N=C(/N)\Nc1cccc(c1)[C@H](C[P@](=O)([C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3)O)C(=O)O	33Z	(2s)-2-(3-{[amino(imino)methyl]amino}phenyl)-3-[(r)-[(1r)-1-({n-[(benzyloxy)carbonyl]-l-phenylalanyl}amino)-2-methylpropyl](hydroxy)phosphoryl]propanoic acid
Cc1c(c2c(n1C)C(=O)C=C(C2=O)OC)COc3ccccc3	340	5-methoxy-1,2-dimethyl-3-(phenoxymethyl)indole-4,7-dione
c1c(cc(cc1F)F)CO	341	(3,5-difluorophenyl)methanol
c1cc(ccc1n2ccnc2)O[C@H]3CCC[N@@](C3)Cc4ccc5c(c4)OCO5	342	(3s)-1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(1h-imidazol-1-yl)phenoxy]piperidine
[H]/N=C(/N)\Nc1cccc(c1)[C@@H](C(=O)O)O[P@](=O)([C@H](C(C)C)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)OCc3ccccc3)O	343	(2s)-(3-{[amino(imino)methyl]amino}phenyl){[(s)-[(1r)-1-({n-[(benzyloxy)carbonyl]-l-tyrosyl}amino)-2-methylpropyl](hydroxy)phosphoryl]oxy}acetic acid
c1c2c(cc3c1nc[nH]3)N=C(NC2=O)N	344	6-amino-3,7-dihydro-imidazo[4,5-g]quinazolin-8-one
c1cc(ccc1Oc2ccc(cc2)Cl)S(=O)(=O)C3(CCOCC3)CC(=O)NO	345	4-[4-(4-chloro-phenoxy)-benzenesulfonyl]-4-methyl-tetrahydro-pyran;compound with n-hydroxy-acetamide
[H]/N=C(\c1ccc(cc1)N[C@H](c2cc(cc(c2F)O[C@@H]3CCOC3)OCC)C(=O)O)/N	346	(r)-(4-carbamimidoyl-phenylamino)-[5-ethoxy-2-fluoro-3-[(r)-tetrahydro-furan-3-yloxy]-phenyl]-acetic acid
CC#CCNc1ccc(cc1)S(=O)(=O)CC2(CCN(CC2)C(=O)OC(C)(C)C)C(=O)NO	347	tert-butyl 4-({[4-(but-2-yn-1-ylamino)phenyl]sulfonyl}methyl)-4-[(hydroxyamino)carbonyl]piperidine-1-carboxylate
[H]/N=C(\c1ccc(cc1)[C@H]2[C@@H]3[C@H]([C@H]4[N@@]2CCC4)[C@H](N(C3=O)Cc5ccc(cc5)OC)C(C)C)/N	348	4-[(1r,3as,4r,8as,8br)-1-isopropyl-2-(4-methoxybenzyl)-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide
c1ccc(c(c1)CNc2c(cnc(n2)NC3=CC4=CC(=O)N=C4C=C3)C(F)(F)F)S(=O)(=O)N5CCCC5	349	5-{[4-{[2-(pyrrolidin-1-ylsulfonyl)benzyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1,3-dihydro-2h-indol-2-one
Cc1ccc(cc1C)N	34A	3,4-dimethylaniline
[BH]1234[BH]567[BH]189[BH]212[BH]33%10[BH]454[BH]656[BH]787[BH]911[CH]232[BH]4%105C7612Cc1c(nc(nc1N)N)C	34B	2,4-diamino-5-(1-o-carboranylmethyl)-6-methylpyrimidine
CCCOc1ccc(cc1Cl)CC(=O)O	34C	(3-chloro-4-propoxy-phenyl)-acetic acid
c1c(cc(cc1O)O)C(=O)O	34D	3,5-dihydroxybenzoate
C[C@H](CN1CCN(CC1)CCOC)[C@@H](C(=O)O)NC	34E	(3r)-4-[4-(2-methoxyethyl)piperazin-1-yl]-n-methyl-l-valine
c1cc(c(cc1[C@H](CCN(C=O)O)P(=O)(O)O)Cl)Cl	34F	(1s)-1-(3,4-dichlorophenyl)-3-[formyl(hydroxy)amino]propyl}phosphonic acid
CC[C@@H]1CN2CCc3cc(c(cc3[C@H]2C[C@H]1C[C@H]4c5cc(c(cc5CCN4)OC)OC)OC)OC	34G	emetine
c1cc(ccc1C[C@H](C(=O)O)O)O	34H	(2r)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid
c1ccc2c(c1)CCC(=O)N2CC(=O)Nc3c(c(cs3)C#N)c4[nH]ncn4	34I	n-[4-cyano-3-(1h-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2h)-yl)acetamide
c1cc(c(cc1C[C@@H](C(=O)O)NNc2nc(cs2)c3ccc(c(c3)Cl)Cl)N(=O)=O)N	34J	(2s)-3-(4-amino-3-nitrophenyl)-2-{2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinyl}propanoic acid
c1ccc(c(c1)C/C(=N\Nc2nc(cs2)c3ccc(cc3)Br)/C(=O)O)N(=O)=O	34K	(2e)-2-{2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid
c1cc2c(c3c1ncs3)/C(=C/c4cnc[nH]4)/C(=O)N2	34L	(8z)-8-(1h-imidazol-5-ylmethylidene)-6,8-dihydro-7h-[1,3]thiazolo[5,4-e]indol-7-one
Cc1nnc(n1c2ccc(cc2)OC)SCc3nc(no3)c4ccc(cc4)OC	34M	3-(4-methoxyphenyl)-5-({[4-(4-methoxyphenyl)-5-methyl-4h-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole
CS(=O)(=O)c1ccc(cc1)[C@@H](CCNC(=O)c2ccc(cc2)C#N)c3ccc(cc3)F	34N	4-cyano-n-{(3s)-3-(4-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]propyl}benzamide
COc1ccc(cc1F)CSc2nnc(o2)c3ccc4c(c3)OCO4	34O	2-(1,3-benzodioxol-5-yl)-5-[(3-fluoro-4-methoxybenzyl)sulfanyl]-1,3,4-oxadiazole
[H]/N=C(/c1csc(n1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)NCC(=O)O)\N	34P	n-(carboxymethyl)-3-cyclohexyl-d-alanyl-n-({4-[(e)-amino(imino)methyl]-1,3-thiazol-2-yl}methyl)-l-prolinamide
c1ccc2c(c1)ncc(n2)C(=O)N3C[C@H]([C@H](C3)N)C(=O)N4CCCC4	34Q	(3r,4r)-4-(pyrrolidin-1-ylcarbonyl)-1-(quinoxalin-2-ylcarbonyl)pyrrolidin-3-amine
COc1cc(cc(c1OC)/C=C/C(=O)N2[C@@H](c3ccccc3C=N2)c4ccccc4)Cc5cnc(nc5N)N	34R	(2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1r)-1-phenylphthalazin-2(1h)-yl]prop-2-en-1-one
COc1cc(cc(c1OC)/C=C/C(=O)N2[C@H](c3ccccc3C=N2)c4ccccc4)Cc5cnc(nc5N)N	34S	(2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-phenylphthalazin-2(1h)-yl]prop-2-en-1-one
C[C@@H]1Cc2cccc(c2NC1)S(=O)=O	34T	(3r)-8-(dioxidosulfanyl)-3-methyl-1,2,3,4-tetrahydroquinoline
COCCOc1ccc2c(c1)ncn2c3ccc4cccc(c4n3)N5CCC(CC5)N	34U	1-{2-[5-(2-methoxyethoxy)-1h-benzimidazol-1-yl]quinolin-8-yl}piperidin-4-amine
C1[C@@H]([C@@H]([C@@](O1)(CO)O)O)O	34V	beta-l-ribulofuranose
CC(=O)NCC(=O)N1[C@H]2CC[C@@H]1c3c2ccc(c3)Nc4ncc(c(n4)NC5CCC5)C(F)(F)F	34W	n-{2-[(1s,4r)-6-{[4-(cyclobutylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1,2,3,4-tetrahydro-1,4-epiminonaphthalen-9-yl]-2-oxoethyl}acetamide
c1ccc(cc1)c2cn(c(n2)N)NC(=O)Nc3ccccc3F	34X	1-(2-amino-4-phenylimidazol-1-yl)-3-(2-fluorophenyl)urea
Cc1cc(ccc1NC(=O)Nc2cc(on2)C(C)C)c3cc([nH]n3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C	34Y	4-[(4-methylpiperazin-1-yl)methyl]-n-{3-[3-methyl-4-({[5-(propan-2-yl)-1,2-oxazol-3-yl]carbamoyl}amino)phenyl]-1h-pyrazol-5-yl}benzamide
c1cc(c(cc1C(=O)O)Cl)Cl	34Z	3,4-dichlorobenzoate
c1ccc(cc1)Oc2ccccc2NC(=O)Nc3cccc(c3)c4c[nH]c5c4cc(cn5)c6ccc(cc6)CN	351	1-(3-{5-[4-(aminomethyl)phenyl]-1h-pyrrolo[2,3-b]pyridin-3-yl}phenyl)-3-(2-phenoxyphenyl)urea
C[C@@H](c1ccc(cc1)F)NC2=NC(=O)[C@](S2)(C)C(C)(C)O	352	(5s)-2-{[(1s)-1-(4-fluorophenyl)ethyl]amino}-5-(1-hydroxy-1-methylethyl)-5-methyl-1,3-thiazol-4(5h)-one
CCOC1=C(C(=O)N(C=C1)c2ccc(cc2)F)C(=O)Nc3ccc(c(c3)F)Oc4ccnc(c4Cl)N	353	n-{4-[(2-amino-3-chloropyridin-4-yl)oxy]-3-fluorophenyl}-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
c1cc(ccc1C(N[C@@H](CCC(=O)O)C(=O)O)O)NS(c2ccc3c(c2)c(nc(n3)N)O)(O)O	354	n-[(s)-(4-{[(2-amino-4-hydroxyquinazolin-6-yl)(dihydroxy)-lambda~4~-sulfanyl]amino}phenyl)(hydroxy)methyl]-l-glutamic acid
CC1=CC=CC2=NC(=CC(=O)N12)CN3c4ccccc4C(=O)N(C3=O)CC5CCC(CC5)C(=O)NCc6ccccc6	355	trans-n-benzyl-4-({1-[(6-methyl-4-oxo-4h-pyrido[1,2-a]pyrimidin-2-yl)methyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2h)-yl}methyl)cyclohexanecarboxamide
CC#CCn1c2c(nc1N3CCC[C@H](C3)N)N(C(=O)N(C2=O)Cc4nc(c5ccccc5n4)C)C	356	8-[(3r)-3-aminopiperidin-1-yl]-7-but-2-yn-1-yl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1h-purine-2,6-d ione
CCC1=C(NC(=O)C(=C1Cc2cccc(c2)C)[N@@](C)CCOC)C	357	5-ethyl-3-[(2-methoxyethyl)methylamino]-6-methyl-4-(3-methylbenzyl)pyridin-2(1h)-one
c1cc(c(c(c1)Cl)N2c3cc(cc(c3CCC2=O)c4ccc(cc4F)F)C5CCNCC5)Cl	358	1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-piperidin-4-yl-3,4-dihydroquinolin-2(1h)-one
[H]/N=C(/c1ccc(cc1)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](Cc2c[nH]c3c2cc(cc3)OCc4cccc(c4)C(=O)O)NS(=O)(=O)CC)\N	359	3-[[3-[(2r)-3-[[(2s)-5-amino-1-[(4-carbamimidoylphenyl)methylamino]-1,5-dioxo-pentan-2-yl]amino]-2-(ethylsulfonylamino)-3-oxo-propyl]-1h-indol-5-yl]oxymethyl]benzoic acid
C[C@@H]1CCc2cccc(c2)C[C@@](C(=O)OCc3cc(nc(c3)[N@](C)S(=O)(=O)C)CC1)(C)N	35A	n-[(5r,14r)-5-amino-5,14-dimethyl-4-oxo-3-oxa-18-azatricyclo[15.3.1.1~7,11~]docosa-1(21),7(22),8,10,17,19-hexaen-19-yl]-n-methylmethanesulfonamide
CNC(=O)N(c1cccc(c1)c2c(c(c(s2)C(=O)O)OCC(=O)O)Br)C3CCCCC3	35B	4-bromo-3-(carboxymethoxy)-5-{3-[cyclohexyl(methylcarbamoyl)amino]phenyl}thiophene-2-carboxylic acid
c1c(cc(c(c1O)O)Cl)Cl	35C	3,5-dichlorobenzene-1,2-diol
CC(=O)N1CCC(CC1)c2c(nc3ccccc3n2)OC4CN(C4)c5ccc6ccccc6n5	35D	1-[4-(3-{[1-(quinolin-2-yl)azetidin-3-yl]oxy}quinoxalin-2-yl)piperidin-1-yl]ethanone
c1ccc2c(c1)ccc(n2)N3CC(C3)Oc4c(nccn4)N5CCC(CC5)CO	35E	[1-(3-{[1-(quinolin-2-yl)azetidin-3-yl]oxy}pyrazin-2-yl)piperidin-4-yl]methanol
c1cc(cc(c1)NC(=O)c2ccco2)c3c4cc(ccc4[nH]n3)c5nc[nH]n5	35F	n-{3-[5-(1h-1,2,4-triazol-3-yl)-1h-indazol-3-yl]phenyl}furan-2-carboxamide
c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O4)O)O)N=C(NC2=O)N	35G	guanosine-3',5'-monophosphate
CN(Cc1ccc(cc1)[C@@H](CO)O)C(=O)c2ccc(cc2)S(=O)(=O)Nc3ccccc3	35H	n-{4-[(1s)-1,2-dihydroxyethyl]benzyl}-n-methyl-4-(phenylsulfamoyl)benzamide
COc1cc(cc(c1OC)/C=C/C(=O)N2[C@H](c3ccccc3C=N2)CCC(F)(F)F)Cc4cnc(nc4N)N	35I	(2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(3,3,3-trifluoropropyl)phthalazin-2(1h)-yl ]prop-2-en-1-one
c1cc(cnc1)CNC=S	35J	n-(pyridin-3-ylmethyl)thioformamide
c1cc2c(cc1CC[C@@H](C(=O)O)N)NC(=O)C(=O)N2	35K	(2s)-2-amino-4-(2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)butanoic acid
c1cc(ccc1C(=O)Nc2ccc(c(c2)c3cc(ccn3)C(=O)O)O)O	35M	2-[5-[(4-hydroxyphenyl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid
c1ccn(c1)[Cu](n2cccc2)(n3cccc3)n4cccc4	35N	copper(ii) tetrapyrrole 
C[C@H](C(=O)Nc1ccc(cc1)OC)NC2=NC(=O)c3cnn(c3N2)C4CCCC4	35O	n~2~-(1-cyclopentyl-4-oxo-4,7-dihydro-1h-pyrazolo[3,4-d]pyrimidin-6-yl)-n-(4-methoxyphenyl)-d-alaninamide
CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)COc2ccccc2)C(=O)O)C	35P	(2r,4s)-5,5-dimethyl-2-{(1r)-2-oxo-1-[(phenoxyacetyl)amino]ethyl}-1,3-thiazolidine-4-carboxylic acid
CN1CCN(CC1)c2ccc(cc2NC(=O)C3=CNC(=O)C=C3C(F)(F)F)c4cccc(c4)CN5CCOCC5	35Q	n-(4-(4-methylpiperazin-1-yl)-3'-(morpholinomethyl)-[1,1'-biphenyl]-3-yl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide
c1cc2c(cc1CN3CCOCC3)nc([nH]2)c4c(c[nH]n4)NC(=O)NC5CC5	35R	1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1h-benzimidazol-2-yl]-1h-pyrazol-4-yl}urea
CC[C@@H](c1cccc(n1)C2CC2)N3[C@@H]([C@H](C[C@](C3=O)(C)CC(=O)O)c4cccc(c4)Cl)c5ccc(cc5)Cl	35S	{(3r,5r,6s)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1s)-1-(6-cyclopropylpyridin-2-yl)propyl]-3-methyl-2-oxopiperidin-3-yl}acetic acid
C[C@@]1(C[C@@H]([C@H](N(C1=O)[C@H](CS(=O)(=O)N2CCCC2)C3CC3)c4ccc(cc4)Cl)c5cccc(c5)Cl)CC(=O)O	35T	{(3r,5r,6s)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1s)-1-cyclopropyl-2-(pyrrolidin-1-ylsulfonyl)ethyl]-3-methyl-2-oxopiperidin-3-yl}acetic acid
COc1cc(ccc1OCCS)CCNC[C@@H](c2ccc(c(c2)O)O)O	35V	4-[(1r)-1-hydroxy-2-({2-[3-methoxy-4-(2-sulfanylethoxy)phenyl]ethyl}amino)ethyl]benzene-1,2-diol
c1ccc(cc1)Cn2cc(cn2)c3c[nH]c4c3nc(cn4)c5ccncc5	35W	7-(1-benzyl-1h-pyrazol-4-yl)-2-(pyridin-4-yl)-5h-pyrrolo[2,3-b]pyrazine
CCCn1cc(cn1)c2c[nH]c3c2nc(cn3)c4ccncc4	35X	7-(1-propyl-1h-pyrazol-4-yl)-2-(pyridin-4-yl)-5h-pyrrolo[2,3-b]pyrazine
C([C@@H](C(=O)O)N)NC(=O)c1[nH]nnn1	35Y	3-[(1h-tetrazol-5-ylcarbonyl)amino]-l-alanine
COc1cccc(c1)c2nccc(n2)c3cc4c([nH]3)C5(CCN(CC5)C(=O)C=C)CNC4=O	35Z	2-[2-(3-methoxyphenyl)pyrimidin-4-yl]-1'-prop-2-enoyl-spiro[5,6-dihydro-1~{h}-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one
c1cncc2c1n3c(n2)C[C@@H]([C@H](C3)N)c4cc(c(cc4F)F)F	361	(7r,8r)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo[1,2-a:4,5-c']dipyridin-7-amine
c1cc(cnc1)c2c[nH]c3c2nc(cn3)c4c[nH]nc4	362	2-(1h-pyrazol-4-yl)-7-(pyridin-3-yl)-5h-pyrrolo[2,3-b]pyrazine
c1c[nH]c2c1nc(cn2)c3c[nH]nc3	363	2-(1h-pyrazol-4-yl)-5h-pyrrolo[2,3-b]pyrazine
c1ccc(cc1)c2cccc(c2)c3ccc[n+](c3)CC(O)(P(=O)(O)O)P(=O)(O)O	364	3-biphenyl-3-yl-1-(2-hydroxy-2,2-diphosphonoethyl)pyridinium
[B-]12(c3c(cccc3OCCCO)[C@H](O1)CN)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)(O)O	365	[(1s,5r,6r,7's,8r)-7'-(aminomethyl)-6-(6-aminopurin-9-yl)-2'-(3-oxidanylpropoxy)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate
[H]/N=C(/c1ccc2cccc(c2c1)NC(=O)c3cccc(c3)S(=O)(=O)OCCCO)\N	367	3-hydroxypropyl 3-[({7-[amino(imino)methyl]-1-naphthyl}amino)carbonyl]benzenesulfonate
[H]/N=C(/N)\NC[C@@H](c1ccc(cc1)B2OC[C@H](O2)CO)OC(=O)c3cccnc3	368	(1r)-2-{[amino(imino)methyl]amino}-1-{4-[(4r)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]phenyl}ethyl nicotinate
Cc1cc2cc(ccc2c(c1c3cccc(c3)O)Oc4ccc(cc4)O)O	369	5-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-7-methylnaphthalen-2-ol
c1cc(cc(c1)Cl)CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CSCC[C@@H](C(=O)O)N)O)O	36A	(s)-2-amino-4-(((2s,3s,4r,5r)-5-(6-(3-chlorobenzylamino)-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methylthio)butanoic acid
c1cc(ccc1CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O)F	36C	3-[(4-fluorobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
CCC[C@@H](C(=O)O)NC(=O)[C@@H]([C@H](Cc1cccs1)N)O	36D	n-[(2r,3s)-3-amino-2-hydroxy-4-(thiophen-2-yl)butanoyl]-l-norvaline
c1ccc2c(c1)[nH]c(n2)C(F)(F)F	36E	2-(trifluoromethyl)-1h-benzimidazole
Cc1ccc2c(c1)N(C(=O)O2)CCCCn3cc(nn3)CCCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5	36F	5-methyl-3-[4-(4-{5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentyl}-1h-1,2,3-triazol-1-yl)butyl]-1,3-benzoxazol-2(3h)-one
COc1ccccc1NC(=O)N2CCCc3c2cccc3	36G	n-(2-methoxyphenyl)-3,4-dihydro-2h-quinoline-1-carboxamide
Cc1cnc(nc1c2cnn(c2)C(C)C)Nc3ccc(c(c3)F)N4CCC(CC4)N(C)CCO	36H	2-((1-(2-fluoro-4-((4-(1-isopropyl-1h-pyrazol-4-yl)-5-methylpyrimidin-2-yl)amino)phenyl)piperidin-4-yl)(methyl)amino)ethan-1-ol
c1ccc(cc1)c2nc3ccsc3c(n2)N4CCOCC4	36I	4-(2-phenylthieno[3,2-d]pyrimidin-4-yl)morpholine
C[C@H]1CCC[C@@H](CCC/C=C/c2cc(cc(c2C(=O)O1)O)O)O	36J	(3s,7r,11e)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1h-2-benzoxacyclotetradecin-1-one
CCn1c2ccccc2nc1NC(=O)Nc3ccccc3OC	36K	1-(1-ethylbenzimidazol-2-yl)-3-(2-methoxyphenyl)urea
Cc1nc(co1)/C=C(\C)/C=C/C=C(\C)/[C@@H]([C@@H](C)[C@@H]2C[C@@H]([C@@]3([C@H](O3)/C=C/[C@H]([C@H]4C[C@@H](C/C=C/C(=O)O2)CC(=O)O4)C)C)O)OC	36L	(1r,2r,3e,5r,7r,8s,10s,13e,16r)-8-hydroxy-10-[(2s,3r,4e,6e,8e)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-2,7-dimethyl-6,11,19-trioxatricyclo[14.3.1.0~5,7~]icosa-3,13-diene-12,18-dione
CCCOC(=O)c1ccc(cc1)O	36M	propyl 4-hydroxybenzoate
c1c[nH]c2c1nccn2	36N	5h-pyrrolo[2,3-b]pyrazine
c1[nH]c2c(n1)c(ncn2)NC3CCCCC3	36O	n-cyclohexyl-9h-purin-6-amine
c1ccc2c(c1)CCN2C(=O)c3csc(n3)c4ccsc4	36P	2,3-dihydroindol-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
c1ccc(cc1)C[C@@H](CO)Nc2c3c([nH]cn3)ncn2	36Q	(2s)-3-phenyl-2-(9h-purin-6-ylamino)propan-1-ol
c1cc2c(cc1Cl)nc(o2)N	36R	5-chloro-1,3-benzoxazol-2-amine
CNCCN1CCC(CC1)c2ccc3c(c2)c(c([nH]3)c4ccccc4OC)Cl	36S	2-{4-[3-chloro-2-(2-methoxyphenyl)-1h-indol-5-yl]piperidin-1-yl}-n-methylethanamine
c1ccc(c(c1)SC2=C(C[C@@H](CC2=O)c3c(cccc3Cl)Cl)O)Cl	36U	(5s)-2-[(2-chlorophenyl)sulfanyl]-5-(2,6-dichlorophenyl)-3-hydroxycyclohex-2-en-1-one
c1ccc(cc1)C2CC(=O)C(C(=O)C2)Sc3ccccc3[N+](=O)[O-]	36V	trans-2-[(2-nitrophenyl)sulfanyl]-5-phenylcyclohexane-1,3-dione
CN1C2=C(CCC2)C(=N)C3=C1CCC3	36X	4-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1h)-imine
c1cc(ccc1c2c[nH]cn2)Br	36Y	4-(4-bromophenyl)-1h-imidazole
Cc1c(c(on1)C)c2cc(cc(c2)N)C(=O)OC	36Z	methyl 3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzoate
Cc1c(c(n[nH]1)C)Cc2nnc(o2)c3c(c4ccccc4s3)OC5CCNCC5	370	4-[(2-{5-[(3,5-dimethyl-1h-pyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl}-1-benzothiophen-3-yl)oxy]piperidine
Cc1cc2c(c(c1)N3CCCS3(=O)=O)OC(=C(C2=O)O)c4ccc(c(c4)O)O	371	2-(3,4-dihydroxyphenyl)-8-(1,1-dioxidoisothiazolidin-2-yl)-3-hydroxy-6-methyl-4h-chromen-4-one
CC(=O)Nc1ccc2c(c1)[C@H](C(=O)N2C)CC#N	372	n-[(3r)-3-(cyanomethyl)-1-methyl-2-oxo-2,3-dihydro-1h-indol-5-yl]acetamide
c1ccc2c(c1)C=C(C(=O)N2)c3cc4cc(ccc4[nH]3)CN5CCC(CC5)CN	373	3-(5-{[4-(aminomethyl)piperidin-1-yl]methyl}-1h-indol-2-yl)quinolin-2(1h)-one
C[C@@H]1CN(C[C@H](N1C(=O)c2ccc(cc2F)OC)C)C(=O)c3ccc(cc3F)OC	374	(2-fluoranyl-4-methoxy-phenyl)-[(3~{r},5~{r})-4-(2-fluoranyl-4-methoxy-phenyl)carbonyl-3,5-dimethyl-piperazin-1-yl]methanone
c1ccc2c(c1)cccc2NC(=O)C(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	376	n-[(naphthalen-1-ylamino)(oxo)acetyl]-beta-d-glucopyranosylamine
C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)N)C	377	memantine
CC(C)[C@@H](C(=O)NCC=C)NC(=O)[C@@](CCCN(Cc1ccc(cc1)c2cccs2)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)(Cc3ccc(cc3)CC=C)O	378	methyl ~{n}-[(2~{s})-3,3-dimethyl-1-[2-[(4~{r})-5-[[(2~{s})-3-methyl-1-oxidanylidene-1-(prop-2-enylamino)butan-2-yl]amino]-4-oxidanyl-5-oxidanylidene-4-[(4-prop-2-enylphenyl)methyl]pentyl]-2-[(4-thiophen-2-ylphenyl)methyl]hydrazinyl]-1-oxidanylidene-butan-2-yl]carbamate
c1ccc(cc1)C[C@H](CP(=O)([C@H](CCc2cccnc2)N)O)C(=O)O	379	3-{[(r)-1-amino-3-(pyridin-3-yl)propyl](hydroxy)phosphoryl}-(s)-2-benzylpropanoic acid
c1ccc(cc1)c2ccc(cc2)CNC(=O)[C@H]3[C@@H]4CN(C[C@@H](O4)O3)C(=O)NO	37A	(1s,5s,7r)-n~7~-(biphenyl-4-ylmethyl)-n~3~-hydroxy-6,8-dioxa-3-azabicyclo[3.2.1]octane-3,7-dicarboxamide
c1ccc(cc1)CC[C@H](N)P(=O)(C[C@@H](Cc2ccccc2)C(=O)O)O	37B	(2s)-3-[(s)-[(1r)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid
Cc1c(c([nH]n1)c2ccco2)C(=O)OC	37D	methyl 5-furan-2-yl-3-methyl-1h-pyrazole-4-carboxylate
C1CCC(CC1)NC[C@H](N)P(=O)(O)O	37E	[(1r)-1-amino-2-(cyclohexylamino)ethyl]phosphonic acid
CN1CCN(CC1)c2ccc(cc2NC(=O)C3=CNC(=O)C=C3C(F)(F)F)c4cc5ccccc5nc4	37F	n-[2-(4-methylpiperazin-1-yl)-5-(quinolin-3-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide
CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(cc3)c4ccc5c(c4)[nH]cc5C(=O)O	37G	6-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1h-indole-3-carboxylic acid
[H]/N=C(/N)\NC[C@@H](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	37H	(5s)-5-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}-n~6~-carbamimidoyl-l-lysine
CC1(CCN(CC1)c2cnc3c(n[nH]c3n2)c4ccnc(c4Cl)NC)N	37I	4-[6-(4-amino-4-methylpiperidin-1-yl)-1h-pyrazolo[3,4-b]pyrazin-3-yl]-3-chloro-n-methylpyridin-2-amine
c1ccc(c(c1)C(=O)Nc2nc(cs2)C(=O)Nc3[nH]c4cc(ccc4n3)C(F)(F)F)OC(F)(F)F	37J	2-{[2-(trifluoromethoxy)benzoyl]amino}-n-[6-(trifluoromethyl)-1h-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide
COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCCN3CCOCC3)OC(=O)[C@@H]4CCCCN4C(=O)[C@H](c5cc(c(c(c5)OC)OC)OC)[C@H]6CCCC=C6	37K	(1r)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2s)-1-[(2s)-2-[(1s)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate
COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCC(=O)O)OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](CC=C)c4cc(c(c(c4)OC)OC)OC	37L	(3-{(1r)-3-(3,4-dimethoxyphenyl)-1-[({(2s)-1-[(2s)-2-(3,4,5-trimethoxyphenyl)pent-4-enoyl]piperidin-2-yl}carbonyl)oxy]propyl}phenoxy)acetic acid
COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCC(=O)NCc3c(ccc4c3OC5=CC(=O)C=CC5=C4c6ccccc6C(=O)O)O)OC(=O)[C@@H]7CCCCN7C(=O)[C@H](c8cc(c(c(c8)OC)OC)OC)[C@H]9CCCC=C9	37M	2-(5-{[({3-[(1r)-1-[({(2s)-1-[(2s)-2-[(1s)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-2-yl}carbonyl)oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetyl)amino]methyl}-6-hydroxy-3-oxo-3h-xanthen-9-yl)benzoic acid
Cc1c(c(on1)C)c2cc(cc(c2)NS(=O)(=O)c3ccccc3)C(=O)O	37N	3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(phenylsulfonyl)amino]benzoic acid
CCC(=O)Nc1ccc(cc1)CN2c3c(cnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)CN(C2=O)c6cc(cc(c6)OC)OC	37O	n-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2h)-yl]methyl}phenyl)propanamide
c1cc2c(cc1O)OC3=CC(=O)C(=CC3=N2)CCCCC(=O)NS(=O)(=O)OC[C@@H]4[C@H]([C@H]([C@H](O4)n5cnc6c5ncnc6N)O)O	37P	5'-o-{[5-(7-hydroxy-3-oxo-3h-phenoxazin-2-yl)pentanoyl]sulfamoyl}adenosine
C=CC(=O)Nc1ccc2c(c1)n(cn2)c3cncc(n3)Nc4ccccc4	37Q	n-{1-[6-(phenylamino)pyrazin-2-yl]-1h-benzimidazol-6-yl}prop-2-enamide
c1cc2c(cc1O)Oc3cc(c(cc3N2)CCCCC(=O)N)O	37R	5-(3,7-dihydroxy-10h-phenoxazin-2-yl)pentanamide
Cn1cnc2c1C(=O)NC(=O)N2C	37T	theobromine
c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cccc(c3)F)N	37U	d-phenylalanyl-n-(3-fluorobenzyl)-l-prolinamide
c1ccc2c(c1)nc(s2)CNC(=O)c3ccc(cc3OCC(=O)O)F	37V	{2-[(1,3-benzothiazol-2-ylmethyl)carbamoyl]-5-fluorophenoxy}acetic acid
Cc1ccc(cc1C)c2c(sc(c2C(=O)N)NC(=O)CCCC(=O)O)C	37W	5-{[3-carbamoyl-4-(3,4-dimethylphenyl)-5-methylthiophen-2-yl]amino}-5-oxopentanoic acid
CCCCCCC(CCCCCC)(CO[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)CO[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O	37X	octyl glucose neopentyl glycol 
C[C@H](CO)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc2ccc(cc2)OC)NC(=O)[C@@H](C)NC(=O)CN3CCOCC3	37Y	n-(morpholin-4-ylacetyl)-d-alanyl-n-[(2s,4r)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-o-methyl-l-tyrosinamide
C(CCNCCCCN)CN	37Z	sym-homospermidine
COc1ccc(cc1OC)[C@H](C(=O)NCc2ccccc2)Nc3ccc(cc3)C(=N)N	380	(2r)-2-({4-[amino(imino)methyl]phenyl}amino)-n-benzyl-2-(3,4-dimethoxyphenyl)acetamide
C1CCC(CC1)CP(=O)(CCCN)O	381	(s)-(3-aminopropyl)(cyclohexylmethyl)phosphinic acid
c1ccc(c(c1)Cc2nc3c(o2)ccnc3NCC([C@H]4CCCCN4)(F)F)n5cncn5	382	(r)-2-(2-(1h-1,2,4-triazol-1-yl)benzyl)-n-(2,2-difluoro-2-(piperidin-2-yl)ethyl)oxazolo[4,5-c]pyridin-4-amine
c1cc(ccc1C[C@@H](C(=O)N[C@@H]([C@H]2[C@@H]([C@@]3(CO[C@@H]([C@@H]3O)[N@@]2O)O)O)C(=O)O)N)O	383	[2-amino-3-(4-hydroxy-phenyl)-propionylamino]- (2,4,5,8-tetrahydroxy-7-oxa-2-aza-bicyclo[3.2.1]oct-3-yl)- acetic acid
COCCN1C[C@@H]([C@H]2CCC[C@@H](C1=O)N2S(=O)(=O)c3cc(cc(c3)Cl)Cl)OCCOC	384	(1s,5s,6r)-10-[(3,5-dichlorophenyl)sulfonyl]-5-(2-methoxyethoxy)-3-(2-methoxyethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
Cc1nc(cs1)COc2ccc(cc2)C[C@@H]([C@@H](C[N@](CC(C)C)S(=O)(=O)c3ccc4c(c3)OCO4)O)NC(=O)O[C@H]5CO[C@@H]6[C@H]5CCO6	385	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-3-[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl)amino]-2-hydroxy-1-{4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzyl}propyl]carbamate
c1ccc(c(c1)C(=O)Nc2nc(cs2)C(=O)Nc3[nH]c4cc5c(cc4n3)OC(O5)(F)F)OC(F)(F)F	386	n-(2,2-difluoro-5h-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-{[2-(trifluoromethoxy)benzoyl]amino}-1,3-thiazole-4-carboxamide
c1cc(cc(c1)O)NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl	387	1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(3-hydroxyphenyl)urea
c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2ccc(cc2F)Br	388	(2-{[(4-bromo-2-fluorobenzyl)amino]carbonyl}-5-chlorophenoxy)acetic acid
C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(c2ccccc2)c3ccccc3)N	389	l-alanyl-l-valyl-n-(2,2-diphenylethyl)-l-prolinamide
Cc1c(c(c(c(c1CO)C)CO)C)CO	38A	(2,4,6-trimethylbenzene-1,3,5-triyl)trimethanol
CC1=Nc2c(c(no2)c3ccccc3OC)C(=O)N1	38B	3-(2-methoxyphenyl)-6-methyl[1,2]oxazolo[5,4-d]pyrimidin-4(5h)-one
COc1ccc(cc1)CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O	38C	3-[(4-methoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
c1cc(c(cc1C(=O)N/N=C/c2ccc(cc2Cl)Cl)O)O	38D	n'-[(e)-(2,4-dichlorophenyl)methylidene]-3,4-dihydroxybenzohydrazide
CC1=N/C(=C\c2cc(c(c(c2)F)O)F)/C(=O)N1C	38E	(5z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4h-imidazol-4-one
Cc1ccc(cc1C)OC[C@H](CNC2Cc3ccccc3C2)O	38F	(2s)-1-(2,3-dihydro-1h-inden-2-ylamino)-3-(3,4-dimethylphenoxy)propan-2-ol
CN(C)CCN[C@@H](c1cccc(c1)c2cnc3n2nc(cc3)c4ccc(c(c4)OC)O)O	38G	4-(3-{3-[(r)-{[2-(dimethylamino)ethyl]amino}(hydroxy)methyl]phenyl}imidazo[1,2-b]pyridazin-6-yl)-2-methoxyphenol
c1ccc2c(c1)nc(s2)NC(=O)c3cccc4c3CN(CC4)c5nc(c(s5)CCCOc6ccc(cc6)n7c8c(cncn8)cn7)C(=O)O	38H	2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1h)-yl]-5-{3-[4-(1h-pyrazolo[3,4-d]pyrimidin-1-yl)phenoxy]propyl}-1,3-thiazole-4-carboxylic acid
[B-](CCCC[C@@](C1C[C@H]2CC[C@@H](C1)N2Cc3ccc(c(c3)Cl)Cl)(C(=O)O)N)(O)(O)O	38I	{(5r)-5-amino-5-carboxy-5-[(3-endo)-8-(3,4-dichlorobenzyl)-8-azabicyclo[3.2.1]oct-3-yl]pentyl}(trihydroxy)borate(1-)
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O	38J	alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-beta-d-glucopyranose
COc1c(cnc(n1)OC)c2ccc3c(c2)ncc(c3Nc4cccc(c4)C(=O)O)S(=O)(=O)N	38K	3-{[7-(2,4-dimethoxypyrimidin-5-yl)-3-sulfamoylquinolin-4-yl]amino}benzoic acid
c1cc(c(c(c1)O)[N+](=O)[O-])O	38L	2-nitrobenzene-1,3-diol
CCCC[C@@H](C(=O)N1CCC[C@@]2(C1)CCCNC2)SC3=Nc4ccccc4C(=O)N3c5cccc(c5)Cl	38M	3-(3-chlorophenyl)-2-({(1s)-1-[(6s)-2,8-diazaspiro[5.5]undec-2-ylcarbonyl]pentyl}sulfanyl)quinazolin-4(3h)-one
C[C@H](CO)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc2ccc(cc2)OC)NC(=O)[C@H](C)NC(=O)CN3CCOCC3	38N	n-(morpholin-4-ylacetyl)-l-alanyl-n-[(2s,4r)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-o-methyl-l-tyrosinamide
CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)C4=C(c5c(cccc5F)NC4=O)N	38O	4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]quinolin-2(1h)-one
CCCNC(=O)c1cn2c(c1C)c(ncn2)Nc3cc(ccc3C)C(=O)NC4CC4	38P	4-{[5-(cyclopropylcarbamoyl)-2-methylphenyl]amino}-5-methyl-n-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
COc1c(cnc(n1)OC)c2ccc3c(c2)ncc(c3Nc4cccc(c4)C(=O)O)C(=O)N	38Q	3-{[3-carbamoyl-7-(2,4-dimethoxypyrimidin-5-yl)quinolin-4-yl]amino}benzoic acid
c1cc(ccc1CC#N)Nc2nccc(n2)Nc3cc(n[nH]3)C4CCCC4	38R	[4-({4-[(3-cyclopentyl-1h-pyrazol-5-yl)amino]pyrimidin-2-yl}amino)phenyl]acetonitrile
CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)CO	38S	1-[(2r,5s)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methylpyrimidine-2,4(1h,3h)-dione
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O	38T	5-methyluridine
CC1=C(Cc2c1cccc2)C(=O)O	38U	3-methyl-1h-indene-2-carboxylic acid
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5NC(=NC6=O)N)O)O)O)N	38V	[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3-[[(2r,3s,4r,5r)-5-(2-azanyl-6-oxidanylidene-3h-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methoxy-[[oxidanyl(phosphonooxy)phosphoryl]methyl]phosphinic acid
CC(C)(C)Nc1nnc(o1)c2ccc3c(c2)c(c[nH]3)c4nccc(n4)C5CC5	38W	n-tert-butyl-5-[3-(4-cyclopropylpyrimidin-2-yl)-1h-indol-5-yl]-1,3,4-oxadiazol-2-amine
CC1=C(Cc2c1cccc2)C(=O)N[C@H](C)C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)N[C@@H](CC5CCCCC5)C(=O)[C@H](C)CO	38X	n-[(3-methyl-1h-inden-2-yl)carbonyl]-d-alanyl-n-[(2s,4r)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-l-tryptophanamide
B1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)n3cnc4c3ncnc4N)COP(=O)(O)O)O[C@H](CN)c5cc(ccc5Br)OCC	38Y	3-(aminomethyl)-4-bromo-7-ethoxybenzo[c][1,2]oxaborol-1(3h)-ol-modified adenosine
c1cnc(nc1)c2ccc(cc2)N3CCN(CC3)C(=O)CN4CC[C@H](C4)C(=O)Nc5ccc6c(c5)c([nH]n6)c7ccncc7	38Z	(3r)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-n-[3-(pyridin-4-yl)-2h-indazol-5-yl]pyrrolidine-3-carboxamide
Cc1cnc(nc1c2cc([nH]c2)C(=O)N[C@H](CO)c3cccc(c3)Cl)Nc4ccc(cc4Cl)F	390	4-{2-[(2-chloro-4-fluorophenyl)amino]-5-methylpyrimidin-4-yl}-n-[(1s)-1-(3-chlorophenyl)-2-hydroxyethyl]-1h-pyrrole-2-carboxamide
Cc1cc(nc(n1)Oc2ccc(cc2)n3ccnc3)Oc4ccc5c(c4)OCO5	391	4-(1,3-benzodioxol-5-yloxy)-2-[4-(1h-imidazol-1-yl)phenoxy]-6-methylpyrimidine
c1ccc(c(c1)NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl)O	392	1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(2-hydroxyphenyl)urea
c1cc(cc(c1)[N+](=O)[O-])CNC(=O)c2ccc(cc2OCC(=O)O)Cl	393	(5-chloro-2-{[(3-nitrobenzyl)amino]carbonyl}phenoxy)acetic acid
CC1(CCC(c2c1ccc(c2)[C@H](C(=O)Nc3ccc(cc3F)C(=O)O)O)(C)C)C	394	r-3-fluoro-4-[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-yl)-acetylamino]-benzoic acid
CC1(CCC(c2c1ccc(c2)[C@@H](C(=O)Nc3ccc(cc3F)C(=O)O)O)(C)C)C	395	s-3-fluoro-4-[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-yl)-acetylamino]-benzoic acid
Cn1c2cc(c3c(c2c4c1cc(c(c4)O)C(=O)NCCN5CCCC5)C(=O)NC3=O)c6ccccc6Cl	396	4-(2-chlorophenyl)-9-hydroxy-6-methyl-1,3-dioxo-n-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-g]carbazole-8-carboxamide
c1cc(ccc1c2cc3cc(ccc3o2)O)O	397	2-(4-hydroxy-phenyl)benzofuran-5-ol
CCCCN(CCCC)C(=O)c1c(c(n(n1)c2ccc(cc2C(=O)N3CCc4ccccc4C3)C(=O)NS(=O)(=O)c5ccc6ccc(cc6c5)I)C)Cl	398	n,n-dibutyl-4-chloranyl-1-[2-(3,4-dihydro-1h-isoquinolin-2-ylcarbonyl)-4-[(7-iodanylnaphthalen-2-yl)sulfonylcarbamoyl]phenyl]-5-methyl-pyrazole-3-carboxamide
Cn1cnc2c1[n+](cnc2N)C	39A	6-amino-3,9-dimethyl-9h-purin-3-ium
B123B45B167B289B31B823B966B744B622[C@@]45[C+]321Cc1c(nc(nc1N)N)C	39B	(s)-2,4-diamino-5-((7,8-dicarbaundecaboran-7-yl)methyl)-6-methylpyrimidine
C[C@H](CO)C(=O)[C@H](Cc1ccccc1)N	39C	(2s,4r)-2-amino-5-hydroxy-4-methyl-1-phenylpentan-3-one
c1ccc(cc1)C[C@@H](c2[nH]cc(n2)c3ccc(cc3)C(=O)N)NC(=O)C4CCC(CC4)CN	39D	4-{2-[(1s)-1-({[trans-4-(aminomethyl)cyclohexyl]carbonyl}amino)-2-phenylethyl]-1h-imidazol-4-yl}benzamide
[H]1[BH]2[BH]345[BH]267[BH]18[BH]691[BH]732[BH]434[BH]292[CH]18C23([BH]54)Cc1c(nc(nc1N)N)C	39E	(r)-2,4-diamino-5-((7,8-dicarbaundecaboran-7-yl)methyl)-6-methylpyrimidine
c1ccc(cc1)C[C@@H](c2[nH]c(c(n2)c3ccc4c(c3)n[nH]c4N)Cl)NC(=O)C5CCC(CC5)CN	39F	trans-n-{(1s)-1-[4-(3-amino-2h-indazol-6-yl)-5-chloro-1h-imidazol-2-yl]-2-phenylethyl}-4-(aminomethyl)cyclohexane-1-carboxamide
CCCc1c(cnn1c2ccccc2)C(=O)Nc3cc(ccc3C)S(=O)(=O)N(C)C	39G	n-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1h-pyrazole-4-carboxamide
CN1C(=O)c2ccccc2C(=N1)CC(=O)Nc3ccc4c(c3)c5c(o4)CCCC5	39H	2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-n-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)acetamide
c1ccc(cc1)CNc2nc3ccsc3c(n2)Nc4cc(n[nH]4)C5CC5	39I	~{n}4-(3-cyclopropyl-1~{h}-pyrazol-5-yl)-~{n}2-(phenylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine
CC[C@@H](C(=O)O)Cl	39J	(2s)-2-chlorobutanoic acid
CC(C)CN(Cc1ccc(s1)c2ccc(cc2)S(=O)(=O)C)S(=O)(=O)Cc3ccccc3	39K	n-(2-methylpropyl)-n-({5-[4-(methylsulfonyl)phenyl]thiophen-2-yl}methyl)-1-phenylmethanesulfonamide
c1ccn2c(c1)ncc2CC(F)(P(=O)(O)O)P(=O)(O)O	39L	[1-fluoro-2-(imidazo[1,2-a]pyridin-3-yl)ethane-1,1-diyl]bis(phosphonic acid)
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O	39N	beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranose
Cc1cc2c(cc1N)N(C(=O)N2C)C	39O	5-amino-1,3,6-trimethyl-1,3-dihydro-2h-benzimidazol-2-one
CCCNC(=O)c1cn2c(c1C)c(ncn2)Nc3cc(ccc3C)C(=O)Nc4ccon4	39P	4-{[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]amino}-5-methyl-n-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
C[C@H](CO)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccc(cc2)OC)NC(=O)[C@@H](C)NC(=O)CN3CCOCC3	39Q	n-(morpholin-4-ylacetyl)-d-alanyl-n-[(2s,4r)-5-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl]-o-methyl-l-tyrosinamide
c1ccc(cc1)c2[nH]c(nn2)c3cccc(c3)N	39R	3-(5-phenyl-4h-1,2,4-triazol-3-yl)aniline
c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N	39S	n-[4-({[(6s)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-l-gamma-glutamyl-l-gamma-glutamyl-l-glutamic acid
CC1(Cc2c(sc(n2)N)C(=O)NC1)C	39U	2-amino-7,7-dimethyl-5,6,7,8-tetrahydro-4h-[1,3]thiazolo[5,4-c]azepin-4-one
CC1=C(Cc2c1cccc2)C(=O)N[C@H](C)C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)N[C@@H](Cc5ccccc5)C(=O)[C@H](C)CO	39V	n-[(3-methyl-1h-inden-2-yl)carbonyl]-d-alanyl-n-[(2s,4r)-5-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl]-l-tryptophanamide
CC(C)c1csc(n1)c2cc(c3ccc(c(c3n2)F)OC)O[C@H]4C[C@H]5C(=O)N(CCCC/C=C\[C@@H]6C[C@]6(NC(=O)N5C4)C(=O)NS(=O)(=O)C7(CC7)C)C	39W	(2s,3as,10z,11as,12ar)-2-({8-fluoro-7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-n-[(1-methylcyclopropyl)sulfonyl]-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,13,14-tetradecahydro-12ah-cyclopropa[m]pyrrolo[1,2-c][1,3,6]triazacyclotetradecine-12a-carboxamide
c1ccc2cc(ccc2c1)C(=O)N[C@H](Cc3[nH]c4cc(ccc4n3)F)C(=O)O	39X	3-(6-fluoro-1h-benzimidazol-2-yl)-n-(naphthalen-2-ylcarbonyl)-d-alanine
CC[C@H](C)C/C=C/C(=O)O	39Y	(2e,5s)-5-methylhept-2-enoic acid
CC(c1ccc[nH]1)C2=C3C=C(C=CC3=NC2=O)O	39Z	5-hydroxy-3-[(1r)-1-(1h-pyrrol-2-yl)ethyl]-2h-indol-2-one
C[C@H]1CCN[C@@H](C1)C(=O)O	3A0	(2s,4s)-4-methylpiperidine-2-carboxylic acid
C[C@H](C[P@](=O)([C@H](Cc1ccccc1)NC(=O)Cc2ccccc2)O)C(=O)NC(CCCCN)C(=O)N[C@H](CO)C(=O)O	3A1	n~2~-{(2s)-3-[(r)-hydroxy{(1r)-2-phenyl-1-[(phenylacetyl)amino]ethyl}phosphoryl]-2-methylpropanoyl}-l-lysyl-d-serine
CCCCC(C(=O)O)NC(=O)C1CCCN1C(=O)CC[P@](=O)([C@H](Cc2ccccc2)NC(=O)[C@@H]3CCCN3C(=O)CN)O	3A2	1-{3-[(r)-{(1r)-1-[(glycyl-l-prolyl)amino]-2-phenylethyl}(hydroxy)phosphoryl]propanoyl}-l-prolyl-d-norleucine
c1cc-2c(cc1OCC(=O)O)C(=NO)c3c2ccc(c3)OCC(=O)O	3A3	2,2'-{[9-(hydroxyimino)-9h-fluorene-2,7-diyl]bis(oxy)}diacetic acid
c1ccc(cc1)c2ccc(cc2)C(=O)N3C[C@@H]4CCCC[C@H]4C[C@H]3CN[C@@H](Cc5cnc[nH]5)C=O	3A4	(2s)-2-({[(3s,4as,8ar)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1h-imidazol-5-yl)propanal
C/C(=N\[C@@H](CC(=O)O)C(=O)OC)/C(=O)O	3A5	(2z,4s)-3-aza-5-carboxyl-2-methyl-4(methylcarboxy)pent-2-enoyl
Cc1cc(ccn1)c2ccc(cc2)c3c(c(c4cc(ccc4n3)F)C(=O)NS(=O)(=O)C)N	3A6	3-amino-6-fluoro-2-[4-(2-methylpyridin-4-yl)phenyl]-n-(methylsulfonyl)quinoline-4-carboxamide
c1cc(ccc1C(=O)N2C[C@H]3CCCC[C@@H]3C[C@H]2CN[C@@H](Cc4cnc[nH]4)C=O)Br	3A7	(2s)-2-({[(3s,4ar,8as)-2-(4-bromobenzoyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1h-imidazol-5-yl)propanal
c1ccc(cc1)c2c3c([nH]n2)C(=O)N[C@H]3c4ccc(cc4)O	3A8	(4s)-4-(4-hydroxyphenyl)-3-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1h)-one
c1cc2c(cc1C(=O)O)CCO2	3A9	2,3-dihydro-1-benzofuran-5-carboxylic acid
c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)N	3AA	3-aminopyridine-adenine dinucleotide phosphate
c1cc(cc(c1)N)C(=O)N	3AB	3-aminobenzamide
CCC1=C(NC(=O)C(=C1Oc2cccc(c2)C=CC#N)I)C	3AC	(2e)-3-{3-[(5-ethyl-3-iodo-6-methyl-2-oxo-1,2-dihydropyridin-4-yl)oxy]phenyl}acrylonitrile
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CO)O)N	3AD	3'-deoxyadenosine
c1cc(ccc1C(=O)O)C(F)(F)F	3AE	4-(trifluoromethyl)benzoic acid
CCC[C@@H](C)NC(c1ccc(cc1)c2ccc(o2)c3ccc(cc3)C(N)N[C@H](C)CCC)N	3AF	2,5-bis{[4-(2-pentyl)diaminomethyl]phenyl}furan
CC(=CCC[N@](C)CCO[P@](=O)([O-])OP(=O)([O-])[O-])C	3AG	2-[methyl-(4-methyl-pent-3-enyl)-amino]-ethyl-diphosphate
c1c(ncn1c2[nH]nc(n2)N)C[C@@H](C(=O)O)N	3AH	[histidin-1-yl-4h-[1,2,4]triazol-5-yl]-amine
CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](CCSC)NC[C@H](Cc1ccccc1)N	3AI	n-[(2s)-2-amino-3-phenylpropyl]-d-methionyl-l-alanyl-l-isoleucine
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@@H]([C@@H](C3=C)O)OCC4(CC4)C#N)O)C	3AJ	1-({[(1r,2s,3r,5z,7e,14beta,17alpha)-1,3,25-trihydroxy-9,10-secocholesta-5,7,10-trien-2-yl]oxy}methyl)cyclopropanecarbonitrile
c1ccc(cc1)CN2c3ccccc3C(=O)C2=O	3AK	1-benzyl-1h-indole-2,3-dione
[C@H]1(C(=O)NC(=O)N1)NC(=O)N	3AL	1-[(4s)-2,5-dioxoimidazolidin-4-yl]urea
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N	3AM	[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)N)O)N	3AN	3'-deoxy 3'-amino adenosine-5'-diphosphate
CC(=O)c1cccc(c1)N	3AO	1-(3-aminophenyl)ethanone
c1cc(c[nH+]c1)N	3AP	3-aminopyridine
c1cc(ccc1CC#N)O	3AQ	(4-hydroxyphenyl)acetonitrile
CCCNC(=[NH2+])NCCC[C@@H](C(=O)O)N	3AR	n-omega-propyl-l-arginine
COCc1cc(cc2c1O[C@H]([C@@H]3[C@H]2CC(C3)(F)F)c4ccc(cc4)O)O	3AS	(3as,4r,9br)-2,2-difluoro-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N	3AT	3'-deoxyadenosine-5'-triphosphate
C1=CN(C(=O)N(C1=O)CC[C@@H](C(=O)O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	3AU	3-[(3s)-3-amino-3-carboxypropyl]uridine 5'-(dihydrogen phosphate)
Cc1ccc2c(c1)C=CC(=O)O2	3AV	6-methyl-2h-chromen-2-one
Cc1nc(nc(n1)N)N	3AW	6-methyl-1,3,5-triazine-2,4-diamine
c1cn[nH]c1N	3AX	1h-pyrazol-5-amine
c1c(nc(nc1N)N)N	3AY	pyrimidine-2,4,6-triamine
c1cc(cc(c1)C(=O)O)CN	3AZ	3-(aminomethyl)benzoic acid
c1cc(ncc1C(F)(F)F)N	3B0	5-(trifluoromethyl)pyridin-2-amine
c1ccc(cc1)[C@H](C#N)N2CCOCC2	3B1	(2r)-morpholin-4-yl(phenyl)ethanenitrile
Cc1cc(no1)CSCc2cc(no2)CSCC(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O	3B2	(14r)-14-hydroxy-15,15-dimethyl-1-[5-({[(5-methyl-1,2-oxazol-3-yl)methyl]sulfanyl}methyl)-1,2-oxazol-3-yl]-4,9,13-trioxo-2-thia-5,8,12-triazahexadecan-16-yl dihydrogen phosphate
c1cc2c(ccc(c2nc1)NC[C@H](CN)O)[N+](=O)[O-]	3B3	(2s)-1-amino-3-[(5-nitroquinolin-8-yl)amino]propan-2-ol
c1ccc(c(c1)C(=O)O)NC2CCCCC2	3B4	2-(cyclohexylamino)benzoic acid
CC(C)c1c(nc(s1)NC(=O)c2cc(cn2C)NC(=O)c3cc(cn3C)NC(=O)c4cccnc4)C(=O)NCCC[NH+](C)C	3B5	aik-18/51
C[C@](COc1ccc(cc1)C#N)(C(=O)Nc2ccc(c(c2)I)C#N)O	3B6	(2s)-n-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)O)O)O	3B7	beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranose
c1cc2c(cc1F)C(=O)c3cc(c(nc3O2)N)C(=O)N	3B8	2-amino-7-fluoro-5-oxo-5h-chromeno[2,3-b]pyridine-3-carboxamide
CC(C)(CNC(=O)c1ccc(cc1)Oc2ccccc2)c3ccc4c(nc(nc4n3)N)N	3B9	n-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-7-yl)-2-methylpropyl]-4-phenoxybenzamide
CC(C)(C)c1nc2c(cc(c(n2)N)C(=O)N)c(n1)NCCc3c[nH]cn3	3BA	7-amino-2-tert-butyl-4-{[2-(1h-imidazol-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidine-6-carboxamide
C=C(CCO)Br	3BB	3-bromobut-3-en-1-ol
CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC3CC3)C(=O)C(=O)NCC(=O)N[C@@H](c4ccccc4)C(=O)N(C)C)C	3BC	tert-butyl [(1s)-1-({(1r,2s,5s)-2-[(3s,10s)-3-(cyclopropylmethyl)-12-methyl-4,5,8,11-tetraoxo-10-phenyl-2,6,9,12-tetraazatridecan-1 -oyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl}carbonyl)-2,2-dimethylpropyl]carbamate
CC(C)(C)c1nc2c(cc(c(n2)N)C(=O)N)c(n1)N3CCN(CC3)c4ncccn4	3BD	7-amino-2-tert-butyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-6-carboxamide
c1cc(cc(c1)Br)C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br	3BE	3-bromo-n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
CC(C)c1c(nc(s1)NC(=O)c2cc(cn2C)NC(=O)c3nc(cn3C)NC(=O)C)C(=O)NCCC[NH+](C)C	3BF	thiazotropsin b
Cc1cc(c(cc1Oc2cc(nc(n2)N3CCN(CC3)C(=O)C)NCc4[nH]c5ccccc5n4)OC)OC	3BG	1-(4-{4-[(1h-benzimidazol-2-ylmethyl)amino]-6-(4,5-dimethoxy-2-methylphenoxy)pyrimidin-2-yl}piperazin-1-yl)ethanone
c1nc(c2c(n1)n(c(n2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N	3BH	(2r,3r,4s,5r)-2-(6,8-diaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
C[N@](Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@H](CC[P@](=O)(C[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O	3BI	(2s)-2-{[(r)-[(3r)-3-carboxy-3-{[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]amino}propyl](hydroxy)phosphoryl]methyl}pentanedioic acid
c1ccc2c(c1)[nH]c(n2)CNc3nc(nc(n3)N4CCOCC4)Nc5ccc(cc5Cl)Cl	3BJ	n-(1h-benzimidazol-2-ylmethyl)-n'-(2,4-dichlorophenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine
c1cc(c(cc1CNc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N)Cl)Cl	3BK	(2r,3r,4s,5r)-2-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
c1ccc(cc1)c2ccc(cc2)C(=O)N3C[C@H]4CCCC[C@@H]4C[C@H]3CN[C@@H](Cc5cnc[nH]5)C=O	3BL	(2s)-2-({[(3s,4ar,8as)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1h-imidazol-5-yl)propanal
c1cc(c(cc1I)Cl)Nc2c(ccc(c2F)F)C(=O)NOC[C@@H](CO)O	3BM	2-[(2-chloro-4-iodophenyl)amino]-n-{[(2r)-2,3-dihydroxypropyl]oxy}-3,4-difluorobenzamide
CN(c1cc(cc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@@H](CNC3CC3)O)C(=O)c4ccccc4)S(=O)(=O)C	3BN	3-benzoyl-n-[(1s,2r)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]benzamide
c1ccc2c(c1)c(c[nH]2)CC#N	3BO	1h-indol-3-ylacetonitrile
CCS(=O)(=O)N[C@H](Cc1ccc(cc1)c2ccccc2)C(=O)N[C@@H](CCC(=O)N)C(=O)NCc3ccc(cc3)C(=N)N	3BP	2-(3-biphenyl-4-yl-2-ethanesulfonylamino-propionylamino)-pentanedioic acid 5-amide 1-(4-carbamimidoyl-benzylamide)
c1cc2cnccc2cc1NC(=O)NCCC3(CCCCC3)CN	3BQ	1-{2-[1-(aminomethyl)cyclohexyl]ethyl}-3-isoquinolin-6-ylurea
CCCBr	3BR	1-bromopropane
CC1(CC(CC(N1O)(C)C)NC(=S)Nc2ccc(cc2Cl)S(=O)(=O)N)C	3BS	3-chloro-4-{[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamothioyl]amino}benzenesulfonamide
[H]/N=C(\N)/SCCc1cccc(c1)CCSC(=N)N	3BT	2-{2-[3-(2-carbamimidoylsulfanyl-ethyl)-phenyl]-ethyl}-isothiourea
C([C@@H]([C@@H]([C@@H]([C@@H](C=O)O)O)O)O)O	3BU	l-allose
C[C@H](CO)[C@@H]([C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc2ccccc2)NC(=O)CN3CCOCC3)O	3BV	n-{(2s)-2-[(morpholin-4-ylacetyl)amino]-4-phenylbutanoyl}-l-leucyl-n-[(2r,3s,4s)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-l-phenylalaninamide
c1cc(ccc1Oc2ccc(cc2)Cl)SCC3(CCOCC3)C(=O)NO	3BW	4-({[4-(4-chlorophenoxy)phenyl]sulfanyl}methyl)-n-hydroxytetrahydro-2h-pyran-4-carboxamide
c1cc(ccc1CN2CCOCC2)C#Cc3ccc(cc3)OCC4(CCOCC4)C(=O)NO	3BX	n-hydroxy-4-[(4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}phenoxy)methyl]tetrahydro-2h-pyran-4-carboxamide
CN1CCC[C@H]1C(=O)O	3BY	1-methyl-l-proline
c1cc(cc(c1)Cl)C(=O)O	3BZ	3-chlorobenzoate
C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)c4ccccc4)C	3C0	n-methyl scopolamine
CCN1CNS(=O)(=O)c2c1ccnc2	3C1	4-ethyl-3,4-dihydro-2h-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
CCN1CNS(=O)(=O)c2c1cccn2	3C2	4-ethyl-3,4-dihydro-2h-pyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide
CCCn1c(nc(n1)C2=C(NON2)N)C3=C(NON3)N	3C3	4,4'-(1-propyl-1h-1,2,4-triazole-3,5-diyl)bis(2,5-dihydro-1,2,5-oxadiazol-3-amine)
c1cc(c(cc1CC(=O)O)Cl)O	3C4	(3-chloro-4-hydroxyphenyl)acetic acid
CNCc1cccc(c1)c2cccnc2	3C5	n-methyl-1-[3-(pyridin-3-yl)phenyl]methanamine
c1cc(cnc1)c2ccc(cc2)C(=O)N[C@@H](CCCCN)C(=O)N	3C6	n~2~-[4-(pyridin-3-yl)benzoyl]-l-lysinamide
C1[C@H](N2[C@@H](S1)CS[C@@H]2CS)C(=O)O	3C7	(3r,5r,7as)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid
Cc1c[nH]nc1[C@H]2CCCN(C2)c3ccc4c(n3)c(ncn4)N	3C8	6-[(3s)-3-(4-methyl-1h-pyrazol-3-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine
CC(C)CS(=O)(=O)N1CCC[C@@H](C1)NC(=O)Nc2cnc3c(n2)cc[nH]3	3C9	1-{(3s)-1-[(2-methylpropyl)sulfonyl]piperidin-3-yl}-3-(5h-pyrrolo[2,3-b]pyrazin-2-yl)urea
c1cc(c(cc1c2ccc(cc2Cl)Cl)C(=O)O)O	3CA	2',4'-dichloro-4-hydroxy-1,1'-biphenyl-3-carboxylic acid
CC[C@@H](C)[C@H](C(=O)N[C@@H](CCC(=N)N)C(=O)NCc1ccc(cc1)C(=N)N)NS(=O)(=O)Cc2cccc(c2)C(=O)O	3CB	n-[(3-carboxybenzyl)sulfonyl]isoleucyl-n~1~-{4-[amino(imino)methyl]benzyl}-5-iminoornithinamide
CCCC(CCC)C(=O)N[C@@H]1Cc2ccc(cc2C1)S(=O)(=O)N	3CC	n-[(2r)-5-(aminosulfonyl)-2,3-dihydro-1h-inden-2-yl]-2-propylpentanamide
c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)CCl	3CD	3-(chloroacetyl) pyridine adenine dinucleotide
c1cc(c(c(c1)Cl)O)O	3CE	3-chlorobenzene-1,2-diol
c1cc(cc(c1)C#N)C[C@@H](C(=O)O)N	3CF	3-cyano-l-phenylalanine
c1cc(cc(c1)[Sb](=O)(O)O)C=CC(=O)O	3CG	(2z)-3-{3-[dihydroxy(oxido)-lambda~5~-stibanyl]phenyl}prop-2-enoic acid
c1cc(cc(c1)Cl)O	3CH	3-chlorophenol
C[C@@H](c1ccccc1)NC(=O)c2cn(c3c2cc(cc3)c4ccn5c(c4)nc(n5)NC(=O)C(C)C)C	3CI	1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-n-[(1s)-1-phenylethyl]indole-3-carboxamide
CCCC1=CC(=O)NC(=S)N1	3CJ	6-propyl-2-thioxo-2,3-dihydropyrimidin-4(1h)-one
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@H]([C@H](O2)CO)O)O)CO)O)O)O)O	3CK	beta-d-tagatofuranosyl alpha-d-glucopyranoside
C(CO)CCl	3CL	3-chloropropanol
C1CCC(CC1)CCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O	3CM	3-cyclohexylpropyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside
CCCN	3CN	3-aminopropane
[Co+3]	3CO	cobalt (iii) ion
CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCCCC(=O)O)O	3CP	3-carboxypropyl-coenzyme a
CN(C)CC#Cc1ccc(c(c1)F)OCCCc2c(nc(s2)N3CCc4cccc(c4C3)C(=O)Nc5nc6ccccc6s5)C(=O)O	3CQ	2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1h)-yl]-5-(3-{4-[3-(dimethylamino)prop-1-yn-1-yl]-2-fluorophenoxy}propyl)-1,3-thiazole-4-carboxylic acid
c1ccc(cc1)C/C(=N\O)/C(=O)O	3CR	(2e)-2-(hydroxyimino)-3-phenylpropanoic acid
CC(C)(C)CC(=O)c1c2cc(ccc2n(c1CC(C)(C)C(=O)O)Cc3ccc(cc3)I)OCc4ccc5ccccc5n4	3CS	3-[3-(3,3-dimethylbutanoyl)-1-(4-iodobenzyl)-5-(quinolin-2-ylmethoxy)-1h-indol-2-yl]-2,2-dimethylpropanoic acid
c1cc(c(cc1C[C@@H](C(=O)O)N)Cl)O	3CT	3-chloro-l-tyrosine
C1[C@@H]([C@H]([C@H]2[N@@]1[C@@H]([C@H]([C@@H]2O)O)CO)O)O	3CU	casuarine
Cc1c(nc(c(n1)N2CCC(CC2)(C)N)CO)c3cccc(c3Cl)Cl	3CW	[3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol
C1CCC(CC1)NCC(CS(=O)(=O)O)O	3CX	(2s)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid
CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1CCc2cccc3c2N(C1=O)[C@@H](C3)C(=O)N[C@@H](CC(=O)O)C(=O)CSCc4ccccc4	3CY	(3s)-3-[({(2s)-5-[(n-acetyl-l-alpha-aspartyl)amino]-4-oxo-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indol-2-yl}carbonyl)amino]-5-(benzylsulfanyl)-4-oxopentanoic acid
C[C@@H]1C[N@](CC[N@]1S(=O)(=O)c2ccc(cc2)C(C)(C)C)c3ccc(cc3)[N+](=O)[O-]	3CZ	(2r)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine
C[C@@H]([C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)N)NC[C@@H](COCc2cccnc2)NC(=O)[C@@H](CCCCN)NC(=O)C)O	3D0	n-[(2s)-2-[(n~2~-acetyl-d-lysyl)amino]-3-(pyridin-3-ylmethoxy)propyl]-l-allothreonyl-d-phenylalaninamide
c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)O)N	3D1	(2r,3s,5r)-5-(6-amino-9h-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol
c1cc(cc(c1)c2cccnc2)CN[C@@H](CCCCN)C(=O)N	3D2	n~2~-[3-(pyridin-3-yl)benzyl]-l-lysinamide
c1nc(c2c(n1)nc([nH]2)SCC(=O)N)N	3D3	2-[(6-amino-7h-purin-8-yl)thio]acetamide
C[C@H]([C@@H]([C@H](N[C@H](Cc1ccccc1)C(=O)N)O)NC(=O)CNC(=O)[C@H](CCCCN)NCc2ccc(cc2)c3cccnc3)O	3D4	n~2~-[4-(pyridin-3-yl)benzyl]-l-lysyl-n-[(1r,2s,3r)-1-{[(2r)-1-amino-1-oxo-3-phenylpropan-2-yl]amino}-1,3-dihydroxybutan-2-yl]glycinamide
c1cc(cnc1)c2ccc(cc2)CN[C@H](CCCCN)C(=O)N	3D5	n~2~-[4-(pyridin-3-yl)benzyl]-d-lysinamide
c1cc(cnc1)c2ccc(cc2)CN[C@@H](CCCCN)C(=O)N	3D6	n~2~-[4-(pyridin-3-yl)benzyl]-l-lysinamide
Cn1cc(cn1)C2=CNC(=O)C(=C2)N	3D7	3-amino-5-(1-methyl-1h-pyrazol-4-yl)pyridin-2(1h)-one
c1cc(cnc1)Nc2c3cccn3ncn2	3D8	n-(pyridin-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
c1ccc(cc1)c2cc3c(ncnn3c2)Nc4ccncc4	3D9	6-phenyl-n-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)COP(=O)(O)O)O)N	3DA	3'-deoxyadenosine-5'-monophosphate
c1ccc(cc1)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N	3DB	5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide
c1cnccc1Nc2c3cc(cn3ncn2)c4c[nH]nc4	3DC	6-(1h-pyrazol-4-yl)-n-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
c1cnc(c2c1n(cn2)C[C@H]([C@H](C(=O)O)O)O)N	3DD	(2r,3r)-4-(4-amino-1h-imidazo[4,5-c]pyridin-1-yl)-2,3-dihydroxybutanoic acid
CCOC(=O)c1c([nH+]n(c1C)c2ccccc2)C	3DE	3,5-dimethyl-1-phenyl-1h-pyrazole-4-carboxylic acid ethyl ester
c1nc2c(n1[C@H]3[C@@H](C[C@H](O3)CO)O)N=C(NC2=O)N	3DG	9-(3-deoxy-beta-d-ribofuranosyl)guanine
CCSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	3DH	5'-s-ethyl-5'-thioadenosine
c1cc(cc(c1)N)c2ccn[nH]2	3DI	3-(1~{h}-pyrazol-5-yl)aniline
c1cc(c(c(c1)O)N)C(=O)C[C@@H](C(=O)O)N	3DJ	(2s)-2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid
Cn1cc(cn1)c2cc3c(c[nH]c3nc2)c4cnn(c4)Cc5cc(ccc5F)F	3DK	3-[1-(2,5-difluorobenzyl)-1h-pyrazol-4-yl]-5-(1-methyl-1h-pyrazol-4-yl)-1h-pyrrolo[2,3-b]pyridine
c1cc(cc(c1)O)c2cncc(n2)c3ccc(cc3)C(=O)O	3DL	4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid
COc1cccc(c1O)OC	3DM	2,6-dimethoxyphenol
Cc1cccc2c1C=C(NC2=O)c3ccc(cc3)CN4CCC(CC4)N(C)C	3DN	3-(4-{[4-(dimethylamino)piperidin-1-yl]methyl}phenyl)-5-methylisoquinolin-1(2h)-one
C1[C@@H]([C@H](O[C@H]([C@@H]1O)O)CO)O	3DO	3-deoxy-beta-d-glucopyranose
CCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]	3DP	3-(n,n-dimethyloctylammonio)propanesulfonate
COc1ccc(cc1)C[C@@H]2C(=O)[C@H]([C@@H](C[C@@]2(C(=O)O)O)O)O	3DQ	(1r,2s,4s,5r)-2-(4-methoxyphenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid
C1CO[C@@H]([C@H]1O)COP(=O)(O)O	3DR	1',2'-dideoxyribofuranose-5'-phosphate
C1[C@H]([C@@H](C(=O)C=C1C(=O)O)O)O	3DS	(4s,5r)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid
CC1=CN(C(=O)N(C1=O)C)[C@H]2C[C@@H]([C@H](O2)CO)O	3DT	3-methylthymidine
C1=CN(C(=O)C=C1O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	3DU	4-hydroxy-1-(5-o-phosphono-beta-d-ribofuranosyl)pyridin-2(1h)-one
c1cc(cc(c1)O)c2cnc(c(n2)c3ccc(cc3)C(=O)O)N	3DV	4-[3-amino-6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid
CN1CCN(CC1)c2ccc(cc2)c3cc4c5cc(ncc5[nH]c4nc3)C(=O)O	3DW	3-[4-(4-methylpiperazin-1-yl)phenyl]-9h-pyrrolo[2,3-b:5,4-c']dipyridine-6-carboxylic acid
CN1CCN(CC1)c2ccc(cc2)c3cc4c5cc(ncc5[nH]c4nc3)C#N	3DX	3-[4-(4-methylpiperazin-1-yl)phenyl]-9h-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile
C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@H](O2)O)O)O	3DY	3,6-anhydro-beta-l-galactopyranose
c1ccc(cc1)CC[C@H](N)P(=O)(C[C@@H](Cc2cccc(c2)CN)C(=O)O)O	3DZ	(2s)-2-[3-(aminomethyl)benzyl]-3-[(r)-[(1r)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid
COc1c(cccc1F)c2csc(n2)N3CCOCC3	3E0	4-[4-(3-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine
CC(=O)Nc1ccc(c(c1)c2cc(ccc2O)NC(=O)C)O	3E1	n,n'-(6,6'-dihydroxybiphenyl-3,3'-diyl)diacetamide
c1ccc2c(c1)C3=NNC(=S)N=C3N2CC(=O)O	3E2	(3-thioxo-2,3-dihydro-5h-[1,2,4]triazino[5,6-b]indol-5-yl)acetic acid
Cc1ccc(c(c1)C)NC(=O)[C@H]([C@H](CC(C)C)N)O	3E3	(2s,3s)-3-amino-n-(2,4-dimethylphenyl)-2-hydroxy-5-methylhexanamide
Cc1cc(c2ccccc2c1Oc3c(cccn3)c4ccnc(n4)NC5CCC(CC5)N)NS(=O)(=O)c6ccccc6Cl	3E4	n-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]-3-methylnaphthalen-1-yl}-2-chlorobenzenesulfonamide
Cc1ccc(c(c1)C)NC(=O)[C@H]([C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)O	3E5	n-[(benzyloxy)carbonyl]-l-leucyl-n-{(2s,3s)-1-[(2,4-dimethylphenyl)amino]-2-hydroxy-5-methyl-1-oxohexan-3-yl}-l-leucinamide
C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C(=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O	3E6	rebaudioside a2
CC[C@@H](c1ccccc1)NC(=O)c2ccc3c(c2)ccn3S(=O)(=O)c4cccc5c4cccc5	3E7	1-(naphthalen-1-ylsulfonyl)-n-[(1s)-1-phenylpropyl]-1h-indole-5-carboxamide
CN1CCC(CC1)COc2cnc(nc2)c3cccc(c3)CN4C(=O)C=CC(=N4)c5cccc(c5)C#N	3E8	3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile
C[C@@H](CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O	3E9	(3s,6e)-3,7,11-trimethyldodeca-6,10-dien-1-yl trihydrogen diphosphate
CCCc1c(ccc2c1onc2C(F)(F)F)OCCCOc3ccc4c(c3)ccn4CC(=O)O	3EA	2-{5-[3-(7-propyl-3-trifluoromethylbenzo[d]isoxazol-6-yloxy)propoxy]indol-1-yl}ethanoic acid
c1cc(cc(c1)C(=O)O)CCC(=O)O	3EB	3-(2-carboxyethyl)benzoic acid
c1cc(oc1CSCCN)C=O	3EC	5-{[(2-aminoethyl)sulfanyl]methyl}furan-2-carbaldehyde
C[C@H]1[C@H](C2(CCN(CC2)C3=CC(=O)N(C(=N3)C)c4cccc(c4Cl)Cl)CO1)N	3ED	6-[(3s,4s)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4(3h)-one
c1ccc(c(c1)C(=O)CC(=O)C(=O)O)N	3EE	4-(2-aminophenyl)-2,4-dioxobutanoic acid
c1ccc(cc1)C[C@H](NC(=O)OCc2ccccc2)P(=O)(C[C@@H](Cc3cc(no3)c4ccccc4)C(=O)N[C@@H](Cc5ccc(cc5)O)C(=O)O)O	3EF	n-{(2s)-3-[(s)-[(1r)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-l-tyrosine
C([C@@H](C(=O)O)N)C(F)(F)F	3EG	(2s)-2-amino-4,4,4-trifluorobutanoic acid
CCN(CC)CCCOC(=O)Nc1cccc(c1)CN2C(=O)SCC(=N2)c3ccc(c(c3)OC)OC	3EH	3-(diethylamino)propyl (3-{[5-(3,4-dimethoxyphenyl)-2-oxo-2h-1,3,4-thiadiazin-3(6h)-yl]methyl}phenyl)carbamate
c1ccn2c(c1)ncc2c3csc(n3)Nc4ccc(cc4)O	3EI	4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenol
c1cc(cc(c1)F)CNC(=O)c2cc(ccn2)c3nnn(n3)Cc4ccc(cc4)C(=O)O	3EJ	4-[(5-{2-[(3-fluorobenzyl)carbamoyl]pyridin-4-yl}-2h-tetrazol-2-yl)methyl]benzoic acid
Cc1cc(cc(n1)C(=O)NCc2ccc(cc2)F)c3ncn(n3)CC4CCC(CC4)C(=O)O	3EK	trans-4-[(3-{2-[(4-fluorobenzyl)carbamoyl]-6-methylpyridin-4-yl}-1h-1,2,4-triazol-1-yl)methyl]cyclohexanecarboxylic acid
c1ccc(cc1)S(=O)(=O)Nc2ccc(c3c2cccc3)Oc4c(cccn4)c5ccnc(n5)NC6CCC(CC6)N	3EL	n-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]naphthalen-1-yl}benzenesulfonamide
CCN(CC)c1ccc2c(c1)OC(=O)C=C2COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc3ccccc3)C[C@@H]([C@H](Cc4ccccc4)NC(=O)OCc5cncs5)O	3EM	n~2~-({[7-(diethylamino)-2-oxo-2h-chromen-4-yl]methoxy}carbonyl)-n-[(2s,4s,5s)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-l-valinamide
CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)OCc3cncs3)O)N	3EN	n-[(2s,4s,5s)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-l-valinamide
CC(C)c1csc(n1)c2cc(c3ccc(cc3n2)OC)OC[C@@H]4C[C@@H]5N4C(=O)N[C@@]6(C[C@H]6/C=C\CCCCN(C5=O)C)C(=O)NS(=O)(=O)C7(CC7)C	3EO	(4r,6s,7z,15s,17s)-17-[({7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)methyl]-13-methyl-n-[(1-methylcyclopropyl)sulfonyl]-2,14-dioxo-1,3,13-triazatricyclo[13.2.0.0~4,6~]heptadec-7-ene-4-carboxamide
CCP(CC)CC	3EP	triethylphosphane
CCCC[N@@](c1cccc(c1C)c2ccc(cc2)SC)S(=O)(=O)c3ccc(c4c3cccc4)OCC(=O)O	3EQ	[(4-{butyl[2-methyl-4'-(methylsulfanyl)biphenyl-3-yl]sulfamoyl}naphthalen-1-yl)oxy]acetic acid
CS(=O)(=O)N[C@@H](c1cccc(c1)Cl)C(=O)O	3ER	(2s)-(3-chlorophenyl)[(methylsulfonyl)amino]ethanoic acid
c1ccc(cc1)C[C@H](NC(=O)OCc2ccccc2)[P@](=O)(C[C@H](Cc3cc(no3)c4ccccc4)C(=O)N[C@@H](Cc5ccc(cc5)O)C(=O)O)O	3ES	[(2s)-2-({3-[hydroxyl(2-phenyl-(1r)-1-{[(benzyloxy)[(2s)-2-({3-[hydroxyl(2-phenyl-(1r)-1-carbonyl]-amino}ethyl)phosphinyl]-2-[(3-phenylisoxazol-5-yl)methyl]-1-oxo-propyl}amino)-3-(4-hydroxy-phenyl)
c1cc(c(c(c1)O)O)C(=O)N[C@@H](COC(=O)[C@@H](COC(=O)[C@@H](CO)N)N)C(=O)O	3ET	o-[(2r)-2-amino-3-(d-seryloxy)propanoyl]-n-[(2,3-dihydroxyphenyl)carbonyl]-l-serine
c1c(cc(cc1Cl)Cl)CC(=O)O	3EU	(3,5-dichlorophenyl)acetic acid
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](C[C@@H](C3=C)O)O)C	3EV	(1s,3s,5z,7e,14beta,17alpha)-9,10-secocholesta-5,7,10-triene-1,3,25-triol
Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO	3EW	5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-n-(2-hydroxyethoxy)-1-methyl-1h-benzimidazole-6-carboxamide
c1cc(c(cc1C2CC2)F)Nc3c4cnccc4oc3C(=O)NOCCO	3EX	3-[(4-cyclopropyl-2-fluorophenyl)amino]-n-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide
c1cc(c(cc1C2CC2)F)Nc3c(ccn4c3cnc4)C(=O)NOCCO	3EY	8-[(4-cyclopropyl-2-fluorophenyl)amino]-n-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-7-carboxamide
c1cc(cc(c1)NC(=O)c2ccc(cc2)c3ccc(cc3)C(=O)Nc4cccc(c4)C5=NCCCN5)C6=NCCCN6	3EZ	n,n'-bis[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]biphenyl-4,4'-dicarboxamide
c1cc(c(c(c1)F)N)C(=O)O	3F0	2-azanyl-3-fluoranyl-benzoic acid
Cc1ccc(cc1)S(=O)(=O)N=[S@](C)c2ccc(cc2)OCc3ccccc3	3F1	n-{[4-(benzyloxy)phenyl](methyl)-lambda~4~-sulfanylidene}-4-methylbenzenesulfonamide
c1cc(cc(c1)NC(=O)c2ccc(cc2)c3ccc(cc3)C(=O)Nc4cccc(c4)C5=NCCN5)C6=NCCN6	3F2	n,n'-bis[3-(4,5-dihydro-1h-imidazol-2-yl)phenyl]biphenyl-4,4'-dicarboxamide
COc1cccc(c1)Cc2nnc(o2)c3c(c4ccccc4s3)OC5CCNCC5	3F3	4-[(2-{5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl}-1-benzothiophen-3-yl)oxy]piperidine
c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)O	3F4	2-(4-hydroxyphenyl)-3h-quinazolin-4-one
CNc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COCC(=O)N)O)O)N	3F5	5'-o-(2-amino-2-oxoethyl)-8-(methylamino)adenosine
c1cc(ccc1c2cc3ccc(cc3[nH]2)C4=NCCCN4)c5cc6ccc(cc6[nH]5)C7=NCCCN7	3F6	2,2'-benzene-1,4-diylbis[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1h-indole]
c1cc(ccc1N2C(=O)C=CC2=O)N3C(=O)C=CC3=O	3F7	1,1'-benzene-1,4-diylbis(1h-pyrrole-2,5-dione)
C1=CC(=O)N(C1=O)CCOCCOCCN2C(=O)C=CC2=O	3F8	1,1'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis(1h-pyrrole-2,5-dione)
COCCN(C[C@@H]1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4ccc5ccccc5c4	3F9	n-{[(3r)-1-(2,3-dihydro-1h-inden-2-yl)piperidin-3-yl]methyl}-n-(2-methoxyethyl)naphthalene-2-carboxamide
c1cc(c(c(c1)F)O)O	3FA	3-fluorobenzene-1,2-diol
c1ccc(cc1)C[C@@H](CC(=O)O)N	3FB	(3s)-3-amino-4-phenylbutanoic acid
CCCC[C@@H](C(=O)C(=O)NN1CCOC1=O)NC(=O)O[C@H](Cc2nnc(o2)c3ccc(cc3)C(F)(F)F)C(C)(C)C	3FC	(1r)-2,2-dimethyl-1-({5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl}methyl)propyl (1s)-1-{oxo[(2-oxo-1,3-oxazolidin-3-yl)amino]acetyl}pentylcarbamate
c1cc(ccc1COC[C@@H]2[C@H]([C@H]([C@@H](O2)n3c4c(c(ncn4)N)nc3NCc5ccc(c(c5)Cl)Cl)O)O)C#N	3FD	4-[[(2r,3s,4r,5r)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile
c1cc(cc(c1)c2c[nH]c3c2c(ncn3)N4CCOCC4)C#N	3FE	3-[4-(morpholin-4-yl)-7h-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile
c1cc2c(cc1Nc3ccc(cc3F)F)CCc4ccc(cc4C2=O)OC[C@@H](CO)O	3FF	2-[(2,4-difluorophenyl)amino]-7-{[(2r)-2,3-dihydroxypropyl]oxy}-10,11-dihydro-5h-dibenzo[a,d][7]annulen-5-one
c1c(cc(cc1O)O)[C@@H](C(=O)O)N	3FG	(2s)-amino(3,5-dihydroxyphenyl)ethanoic acid
C1=CN(C(=S)C(=C1)C(F)(F)F)O	3FH	1-hydroxy-3-(trifluoromethyl)pyridine-2(1h)-thione
c1cc(cc(c1)C(=O)O)\C=N\OCCCNCC2=CC(=O)NC(=O)N2	3FI	3-{(e)-[(3-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}propoxy)imino]methyl}benzoic acid
CN(C)[C@H](c1cc(cc(c1)Cl)Cl)C(=O)O	3FK	(2r)-(3,5-dichlorophenyl)(dimethylamino)ethanoic acid
c1cc(cc(c1)C(=O)O)CNCCCCNCC2=CC(=O)NC(=O)N2	3FL	3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}butyl)amino]methyl}benzoic acid
C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)OC(=O)N)O)O	3FM	3-o-carbamoyl-alpha-d-mannopyranose
CN1c2c(cnc(n2)NC3CCOCC3)C=C(C1=O)Oc4ccc(cc4F)F	3FN	6-(2,4-difluorophenoxy)-8-methyl-2-(tetrahydro-2h-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8h)-one
[H]/N=C\CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](c2cccc(c2)Cl)NS(=O)(=O)C	3FO	n-{(2s)-2-(3-chlorophenyl)-2-[(methylsulfonyl)amino]acetyl}-l-phenylalanyl-n-[(2z)-2-iminoethyl]glycinamide
CN(C)C[C@H](COc1ccc(cc1)Nc2cc(ncn2)Nc3cc(ccc3F)C(F)(F)F)O	3FP	(2r)-1-(dimethylamino)-3-{4-[(6-{[2-fluoro-5-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]phenoxy}propan-2-ol
CN(C)C[C@@H](COc1ccc(cc1)NC2=CC(N=CN2)(Nc3cc(ccc3F)C(F)(F)F)O)O	3FQ	(2s)-1-(dimethylamino)-3-{4-[(6-{[2-fluoro-5-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]phenoxy}propan-2-ol
Cc1c2cnc(cc2n(n1)c3cc(cc(c3)Cl)c4ccccc4C(=O)N)N[C@@H](C)c5ccccc5	3FR	3'-chloro-5'-(3-methyl-6-{[(1s)-1-phenylethyl]amino}-1h-pyrazolo[4,3-c]pyridin-1-yl)biphenyl-2-carboxamide
[H]/N=C\CNC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)Cc1cc(cc(c1)Cl)Cl	3FS	n-[(3,5-dichlorophenyl)acetyl]-l-threonyl-n-[(2z)-2-iminoethyl]glycinamide
c1cc(cc(c1)OC(F)(F)F)c2ccc(c(c2)F)NC(=O)C3=C(CCC3)C(=O)O	3FT	2-({[3-fluoro-3'-(trifluoromethoxy)biphenyl-4-yl]amino}carbonyl)cyclopent-1-ene-1-carboxylic acid
[H]/N=C\c1nccc(n1)CNC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](c2cc(cc(c2)Cl)Cl)N(C)C	3FU	n~2~-[(2r)-2-(3,5-dichlorophenyl)-2-(dimethylamino)acetyl]-n-({2-[(z)-iminomethyl]pyrimidin-4-yl}methyl)-l-isoleucinamide
c1ccnc(c1)c2c(c[nH]n2)NC(=O)c3c(cn(n3)C4CCNCC4)Cl	3FV	4-chloro-1-(piperidin-4-yl)-n-[3-(pyridin-2-yl)-1h-pyrazol-4-yl]-1h-pyrazole-3-carboxamide
[H]/N=C\c1nccc(n1)CN	3FW	1-{2-[(z)-iminomethyl]pyrimidin-4-yl}methanamine
C1CCC(CC1)NC[C@H](CS(=O)(=O)O)O	3FX	(2r)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid
Cc1ccccc1C[N@@](CC[N@@](Cc2cncn2C)c3ccc(cc3)Br)S(=O)(=O)c4cn(cn4)C	3FY	n-(2-{(4-bromophenyl)[(1-methyl-1h-imidazol-5-yl)methyl]amino}ethyl)-1-methyl-n-(2-methylbenzyl)-1h-imidazole-4-sulfonamide
[H]/N=C(\c1cccc(c1)C=O)/N	3FZ	3-formylbenzenecarboximidamide
C(#N)[Pt-2](C#N)(C#N)C#N	3G0	tetracyanoplatinate(ii)
c1ccc(cc1)C[S@](=O)c2ccccc2C(=O)O	3G1	2-[(s)-benzylsulfinyl]benzoic acid
c1ccc2c(c1)C(=O)N(C2=O)CCc3[nH]nnn3	3G3	2-[2-(1h-tetrazol-5-yl)ethyl]-1h-isoindole-1,3(2h)-dione
CCN(CC)C(=O)Cc1cccc(n1)NS(=O)(=O)c2cccc(c2C)Cl	3G4	2-(6-{[(3-chloro-2-methylphenyl)sulfonyl]amino}pyridin-2-yl)-n,n-diethylacetamide
c1cc(ccc1C2=C(C(=O)c3cc(cc(c3O2)Br)Br)O)C(=O)O	3G5	4-(6,8-dibromo-3-hydroxy-4-oxo-4h-chromen-2-yl)benzoic acid
C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)O	3G6	(2s)-2-[(8s,9s,10r,13s,14s,17r)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]propanoic acid (non-preferred name)
CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)CN3CC[C@H](C3)C(=O)Nc4ccc(c(c4)Cl)O	3G7	(3r)-1-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-n-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide
CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)C(=O)c3cccs3	3G8	7-(diethylamino)-3-(thiophen-2-ylcarbonyl)-2h-chromen-2-one
CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)c3cccc(c3)Cl	3G9	1-{4-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl}ethanone
[H]/N=C(\N)/N1CCC[C@H](C1)C[C@@H](C=O)N	3GA	(3s)-3-[(2s)-2-amino-3-oxopropyl]piperidine-1-carboximidamide
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O	3GB	n-[(2s,3r,4e)-1-{[alpha-d-galactopyranosyl-(1->4)-beta-d-galactopyranosyl-(1->4)-beta-d-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide
C(CC(=O)N[C@@H](CS)C(=O)O)[C@@H](C(=O)O)N	3GC	gamma-glutamylcysteine
CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O	3GD	n-[(2s,3r,4e)-1-{[4-o-(beta-d-galactopyranosyl)-beta-d-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]docosanamide
CC(C)([C@H](C(=O)O)NCC(CO)CO)[S](=O)=O	3GE	(2s)-3-[bis(oxidanylidene)-$l^{5}-sulfanyl]-2-[[2-(hydroxymethyl)-3-oxidanyl-propyl]amino]-3-methyl-butanoic acid
CN1CCN(CC1)c2cc(c(nn2)c3ccc4ccccc4c3)c5ccncc5	3GF	6-(4-methylpiperazin-1-yl)-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyridazine
c1ccc(cc1)NC(=O)Nc2ccc(cc2)c3[nH]nnn3	3GG	1-phenyl-3-[4-(1h-tetrazol-5-yl)phenyl]urea
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H](C[C@H]([C@H](O1)CO)O)O)[C@@H](CCCCCCCCCCCCCCC)O	3GH	n-{(2s,3r)-1-[(3-deoxy-alpha-d-xylo-hexopyranosyl)oxy]-3-hydroxyoctadecan-2-yl}hexacosanamide
CCc1cc(on1)COc2cc(ccc2OC)C(=O)Nc3c(cncc3Cl)Cl	3GJ	n-(3,5-dichloropyridin-4-yl)-3-[(3-ethyl-1,2-oxazol-5-yl)methoxy]-4-methoxybenzamide
c1cc(cc(c1)NC(=O)c2cc(cc3c2nc[nH]3)C(F)(F)F)c4n[nH]nn4	3GK	n-[3-(2h-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1h-benzimidazole-4-carboxamide
C([C@@H](C(=O)O)N)[C@@H](C(=O)O)O	3GL	(2s,4s)-2-amino-4-hydroxy-pentanedioic acid
c1ccc2c(c1)C[C@@H]([C@@H]2Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O)NC(=O)CCCN	3GM	(2s)-6-[[(1r,2s)-2-(4-azanylbutanoylamino)-2,3-dihydro-1h-inden-1-yl]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
C[C@]1(CCCN1)c2[nH]c3c(cccc3n2)C(=O)N	3GN	2-[(2s)-2-methylpyrrolidin-2-yl]-1h-benzimidazole-7-carboxamide
c1cc2cc(ccc2nc1)CNc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)COCc6ccc(cc6)C#N)O)O)N	3GO	4-[[(2r,3s,4r,5r)-5-[6-amino-8-(quinolin-6-ylmethylamino)purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitri le
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N=C(NC2=O)N	3GP	guanosine-3'-monophosphate
c1cc(c(c(c1)C(=O)O)C(=O)O)C(=O)O	3GQ	benzene-1,2,3-tricarboxylic acid
C([C@H](C=O)O)O	3GR	d-glyceraldehyde
COC(=O)c1c2n(c(c1C(=O)OC)c3cccc(c3)F)C[S@](=O)C2	3GS	dimethyl (2r)-5-(3-fluorophenyl)-1h-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate 2-oxide
C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)C)C)\C)OC)(NC(=O)O2)O	3GT	(3beta,4beta,5beta,10beta,11e,13e)-maytansine
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC4CCCC4	3GU	n6-cyclopentyladenosine
c1ccc(c(c1)N2C[C@H](CC2=O)C(=O)O)O	3GV	(3s)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C(=O)NC3=O)c4ccc(s4)C=O)O)O)CO)O)O	3GW	5-(5-formylthiophen-2-yl)uridine-5'(2-(acetylamino)-2-deoxy-alpha-d-galactosyl)-diphosphate
CN1CCCC2=C1C=C(NC2=O)c3ccccc3	3GX	1-methyl-7-phenyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5(1h)-one
CC[C@@H](C)c1ccccc1	3GY	(2r)-butan-2-ylbenzene
CCCCCCc1ccccc1	3GZ	hexylbenzene
CCCc1ccccc1	3H0	propylbenzene
Cc1c(c(c(c(c1Cl)O)C\C=C(/C)\C=C\[C@]2([C@@H](CCC(=O)[C@@H]2C)C)C)O)C=O	3H1	3-chloro-4,6-dihydroxy-2-methyl-5-{(2e,4e)-3-methyl-5-[(1r,2r,6r)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dien-1-yl}benzaldehyde
CCCCCc1ccccc1	3H2	pentylbenzene
C[C@H]1/C=C/C=C\CC/C=C/C(=O)O[C@H]1/C(=C/[C@H](C)C(=O)C[C@@H](CC2CC(=O)NC(=O)C2)O)/C	3H3	4-{(2r,5s,6e)-2-hydroxy-5-methyl-7-[(2r,3s,4e,6z,10e)-3-methyl-12-oxooxacyclododeca-4,6,10-trien-2-yl]-4-oxooct-6-en-1-yl}piperidine-2,6-dione
C/C=C\C[C@@H](C/C=C\NC(=O)[C@H](C(C)(C)C)NC(=O)/C=C\C=C/C(=C/[C@H](C)[C@@H]1CC=C(C(=O)O1)OC)/C)OC(=O)N	3H4	(1z,4s,6z)-1-[(n-{(2z,4z,6e,8s)-8-[(2s)-5-methoxy-6-oxo-3,6-dihydro-2h-pyran-2-yl]-6-methylnona-2,4,6-trienoyl}-3-methy l-l-valyl)amino]octa-1,6-dien-4-yl carbamate
Cc1c(cn(n1)C)C(=O)Nc2[nH]c3ccccc3n2	3H5	n-(1h-benzimidazol-2-yl)-1,3-dimethyl-1h-pyrazole-4-carboxamide
c1ccc2c(c1)[nH]c(n2)NC(=O)c3c[nH]nc3c4ccc(cc4)F	3H6	n-(1h-benzimidazol-2-yl)-3-(4-fluorophenyl)-1h-pyrazole-4-carboxamide
c1c(cc2c(c1F)nc(s2)N)F	3H7	4,6-difluoro-1,3-benzothiazol-2-amine
Cc1cc(ccn1)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4Cl	3H8	3-(4-{[(2-chlorophenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-n-(2-methylpyridin-4-yl)benzamide
CCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O	3H9	(s)-3-hydroxyhexanoyl-coa
c1cc(c(c(c1)O)N)C(=O)O	3HA	3-hydroxyanthranilic acid
c1cc(cc(c1)O)C(=O)O	3HB	3-hydroxybenzoic acid
CC(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O	3HC	3-hydroxybutanoyl-coenzyme a
CO[C@@H]1[C@@H](CO[C@@H]([C@H]1O)CO)O	3HD	1,5-anhydro-3-o-methyl-d-mannitol
C[C@H]1C[C@@H](C(=O)[C@@H](C1)[C@@H](CC2CC(=O)NC(=O)C2)O)C	3HE	4-{(2r)-2-[(1s,3s,5s)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione
CCCCN(CCCC)C(=O)n1cc(c2c1cccc2)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)OC)O	3HF	n~3~-{(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-n~1~,n~1~-dibutyl-1h-indole-1,3-dicarboxamide
C(C(CC(=O)O)O)C(=O)O	3HG	3-hydroxypentanedioic acid
CCCCN(C)C(=O)n1cc(c2c1ccc(c2)C#N)C(=O)N[C@@H](Cc3cc(cc(c3)F)F)[C@@H](CNCc4cccc(c4)OC)O	3HH	n~1~-butyl-5-cyano-n~3~-{(1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-n~1~-methyl-1h-indole-1,3-dicarboxamide
CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4O	3HI	(3r,5r)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-5-(1-methylethyl)-3-phenyl-1h-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid
Cc1cc(ccn1)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4	3HJ	n-(2-methylpyridin-4-yl)-3-{4-[(phenylcarbamoyl)amino]-1h-pyrazol-1-yl}benzamide
COc1cc-2c(cc1OCCCN3CCOCC3)Cc4c2[nH]nc4c5ccc(cc5)C#N	3HK	4-{7-methoxy-6-[3-(morpholin-4-yl)propoxy]-1,4-dihydroindeno[1,2-c]pyrazol-3-yl}benzonitrile
C[C@@H](CC(=O)O)O	3HL	(3s)-3-hydroxybutanoic acid
Cc1c(cc(cn1)C(=O)O)O	3HM	5-hydroxy-6-methylpyridine-3-carboxylic acid
Cc1cc(ccn1)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccc(cc4)F	3HN	3-(4-{[(4-fluorophenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-n-(2-methylpyridin-4-yl)benzamide
CCCCC[C@@H](CC(=O)O)O	3HO	(3s)-3-hydroxyoctanoic acid
c1cc(cc(c1)O)CC(=O)O	3HP	3-hydroxyphenylacetate
Cc1ccc(cc1)NC(=O)Nc2cnn(c2)c3cccc(c3)C(=O)Nc4ccnc(c4)C	3HQ	3-(4-{[(4-methylphenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-n-(2-methylpyridin-4-yl)benzamide
C[C@H](CC(=O)O)O	3HR	(3r)-3-hydroxybutanoic acid
c1cc(ccc1CNC(=O)c2ccc(cc2Cl)c3ccc(o3)C(=O)O)c4cc(nn4c5ccc(c(c5)Cl)Cl)C(=O)O	3HS	5-[4-({[4-(5-carboxyfuran-2-yl)-2-chlorobenzoyl]amino}methyl)phenyl]-1-(3,4-dichlorophenyl)-1h-pyrazole-3-carboxylic acid
COc1ccc(cc1)n2cnc3c2cc(cc3)C4=NNC(=S)O4	3HT	5-[1-(4-methoxyphenyl)-1h-benzimidazol-6-yl]-1,3,4-oxadiazole-2(3h)-thione
c1csc(c1CN2C(=O)c3cscc3N(C2=O)C[C@@H](C(=O)O)N)C(=O)O	3HU	(s)-1-(2'-amino-2'-carboxyethyl)-3-[(2-carboxythien-3-yl)methyl]thieno[3,4-d]pyrimidin-2,4-dione
c1cc(ccc1CN2CCc3cc(ccc3C2=S)c4ccc(o4)C(=O)O)c5cc(nn5c6ccc(c(c6)Cl)Cl)C(=O)O	3HV	5-(4-{[6-(5-carboxyfuran-2-yl)-1-thioxo-3,4-dihydroisoquinolin-2(1h)-yl]methyl}phenyl)-1-(3,4-dichlorophenyl)-1h-pyrazole-3-carboxylic acid
c1cc(ccc1CNC(=S)c2ccc(cc2)c3cc(nn3c4ccc(c(c4)Cl)Cl)C(=O)O)c5ccc(o5)C(=O)O	3HW	5-(4-{[4-(5-carboxyfuran-2-yl)benzyl]carbamothioyl}phenyl)-1-(3,4-dichlorophenyl)-1h-pyrazole-3-carboxylic acid
[H]/N=C(/NCCC[C@@H](CN(CCN)O)N)\N[N+](=O)[O-]	3HX	(4s)-n-{4-amino-5-[(2-aminoethyl)(hydroxyamino]-pentyl}-n'-nitroguanidine
c1cc(cc(c1)O)CO	3HY	3-(hydroxymethyl)phenol
CC(=O)N(Cc1ccc(cc1)c2ccc(o2)C(=O)O)Cc3ccc(cc3)c4cc(nn4c5ccc(c(c5)Cl)Cl)C(=O)O	3HZ	5-[4-({acetyl[4-(5-carboxyfuran-2-yl)benzyl]amino}methyl)phenyl]-1-(3,4-dichlorophenyl)-1h-pyrazole-3-carboxylic acid
c1c2cc(cc(c2c(cc1S(=O)(=O)O)N)O)S(=O)(=O)O	3I0	4-amino-5-hydroxynaphthalene-2,7-disulfonic acid
C1[C@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O	3I2	d-3-deoxy-myo-inositol 1,4,6-trisphosphate
CS(=O)(=O)c1cccc2c1[nH]cc2c3c(cnc(n3)N[C@H]4CCCNC4)C(F)(F)F	3I3	4-[7-(methanesulfonyl)-1h-indol-3-yl]-n-[(3s)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
c1cc(ccc1CONCC(=O)N[C@@H](CO)C(=O)N)S(=O)(=O)N	3I4	(2s)-3-oxidanyl-2-[2-[(4-sulfamoylphenyl)methoxyamino]ethanoylamino]propanamide
c1cc2c(cc1F)c(c[nH]2)C[C@H]3C(=O)N4CCC[C@H]4C(=O)N3	3I5	(3~{s},8~{a}~{s})-3-[(5-fluoranyl-1~{h}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
C[C@H](CO)Nc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)N)Br	3I6	4-((5-bromo-4-(prop-2-yn-1-ylamino)pyrimidin-2-yl)amino)benzenesulfonamide
c1ccc(cc1)NC(=O)c2ccc(cc2OCCC[NH3+])c3c[nH]nc3	3I7	3-[2-(phenylcarbamoyl)-5-(1h-pyrazol-4-yl)phenoxy]propan-1-aminium
[C@@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O	3IA	l-scyllo-inositol 1,2,4-trisphosphate
c1ccc2c(c1)c(c[nH]2)CCCC(=O)O	3IB	3-indolebutyric acid
c1c[nH]c2c1cc(c(c2)O)O	3ID	3h-indole-5,6-diol
C[C@@H](COC)N	3IE	(2~{s})-1-methoxypropan-2-amine
CN1c2cc(ccc2OC[C@@H](C1=O)NC(=O)c3[nH]c(nn3)Cc4ccccc4)C#CC5CC5	3IF	n-[(3s)-7-(2-cyclopropylethynyl)-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-4h-1,2,4-triazole-3-carboxamide
CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)C(O3)(C)C)CCNC(=O)C	3IG	n-{2-[6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2,2-dimethyl-3-oxo-2,3-dihydro-4h-1,4-benzoxazin-4-yl]ethyl}acetamide
Cc1cc(no1)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=CC(=O)OCc3ccccc3	3IH	n-[(5-methylisoxazol-3-yl)carbonyl]alanyl-l-valyl-n~1~-((1r,2z)-4-(benzyloxy)-4-oxo-1-{[(3r)-2-oxopyrrolidin-3-yl]methyl}but-2-enyl)-l-leucinamide
COc1ccc(c(c1)OC)C(=O)N2CCC3(CC2)C(=O)N(CN3c4ccccc4)CC(=O)NCCc5ccc(cc5Cl)Cl	3II	n-[2-(2,4-dichlorophenyl)ethyl]-2-{8-[(2,4-dimethoxyphenyl)carbonyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl}acetamide
C[C@H](CO[C@H](C)CO[C@@H](C)CO[C@@H](C)COCCOC)N	3IK	(2~{r})-1-[(2~{r})-1-[(2~{s})-1-[(2~{s})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-amine
c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)O	3IL	3-(indol-3-yl) lactate
Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	3IM	2,6-ditert-butyl-4-methyl-phenol
C[C@H]1CC[C@H]([C@H]1NC(=O)[C@H](Cc2ccccc2)C[C@@H](C[N@@]3CCN(C[C@H]3C(=O)NC(C)(C)C)C(=O)c4cnc(c(n4)Cl)N5CCN(CC5)C)O)O	3IN	n-[2(s)-cyclopentyl-1(r)-hydroxy-3(r)methyl]-5-[(2(s)-tertiary-butylamino-carbonyl)-4-(n1-(2)-(n-methylpiperazinyl)-3-chloro-pyrazinyl-5-carbonyl)-piperazino]-4(s)-hydroxy-2(r)-phenylmethyl-pentanamide
c1ccc2c(c1)c(c[nH]2)CC(=O)C(=O)O	3IO	3-(1h-indol-3-yl)-2-oxopropanoic acid
c1ccc(cc1)COc2cccnc2N	3IP	3-(benzyloxy)pyridin-2-amine
C[C@H]1C[NH2+]CC(=C1)c2c[nH]c3c2cccn3	3IQ	(3r)-3-methyl-5-(1h-pyrrolo[2,3-b]pyridin-3-yl)-1,2,3,6-tetrahydropyridin-1-ium
c1ccc(cc1)[C@@H]2C[C@H]2C(=O)Nc3nccs3	3IR	(1~{r},2~{r})-2-phenyl-~{n}-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
c1cc2c(cc1Cl)CC(=O)N2	3IS	5-chloranyl-1,3-dihydroindol-2-one
CC(=C)C1=C(C(=O)C=CC=C1)O	3IT	2-hydroxy-3-(prop-1-en-2-yl)cyclohepta-2,4,6-trien-1-one
CN1c2cc(ccc2OC[C@@H](C1=O)NC(=O)c3[nH]c(nn3)Cc4ccccc4)C#CC5CCOCC5	3IU	n-[(3s)-5-methyl-7-[2-(oxan-4-yl)ethynyl]-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-4h-1,2,4-triazole-3-carboxamide
CCCC/C=C/CCCCCCCCCC(=O)O	3IV	(11e)-hexadec-11-enoic acid
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	3IX	s-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenethioate
CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCCCCC/C=C\C/C=C\CC	3IY	[(2~{r})-1-dodecanoyloxy-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propan-2-yl] (8~{z},11~{z},14~{z},24~{z},27~{z})-triaconta-8,11,14,24,27-pentaenoate
C[C@H](CO[C@H](C)CO[C@H](C)COCCOC)N	3IZ	(2~{r})-1-[(2~{r})-1-[(2~{r})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-amine
c1cc(ccc1CNC(=S)c2ccc(cc2)c3ccc(o3)C(=O)O)c4cc(nn4c5ccc(c(c5)Cl)Cl)C(=O)O	3J0	5-{4-[({[4-(5-carboxyfuran-2-yl)phenyl]carbonothioyl}amino)methyl]phenyl}-1-(3,4-dichlorophenyl)-1h-pyrazole-3-carboxylic acid
Cn1cc(cn1)c2ccc(cc2)C3=Nc4c(cccc4C(=O)N3)CO	3J1	8-(hydroxymethyl)-2-[4-(1-methyl-1h-pyrazol-4-yl)phenyl]quinazolin-4(3h)-one
CC(C)C1=C2[C@H]([C@@H]3[C@H]4[C@]([C@H]([C@@H]5[C@H]([C@@]4(C2=CC(=O)O1)C)O5)O)(C(=O)O3)C)O	3J2	nagilactone c
C1CN(CCC1OS(=O)(=O)N)S(=O)(=O)[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O	3J3	(1r)-1,5-anhydro-1-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-d-galactitol
C1CN(C[C@@H]1OS(=O)(=O)N)S(=O)(=O)[C@H]2[C@H]([C@H]([C@@H](C(O2)CO)O)O)O	3J4	(6s)-2,6-anhydro-6-{[(3r)-3-(sulfamoyloxy)pyrrolidin-1-yl]sulfonyl}-d-glucitol
Cc1cc(ncc1c2ccc(cc2)C3=Nc4c(cccc4C(=O)N3)CO)N5CCN([C@H](C5)C)C	3J5	2-(4-{6-[(3s)-3,4-dimethylpiperazin-1-yl]-4-methylpyridin-3-yl}phenyl)-8-(hydroxymethyl)quinazolin-4(3h)-one
CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O)C)CO	3J6	(3beta,7alpha)-3,7,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one
CC(C)(CNc1c2ccncc2nc(n1)c3ccc4c(c3)cn[nH]4)N	3J7	n~1~-[2-(1h-indazol-5-yl)pyrido[3,4-d]pyrimidin-4-yl]-2-methylpropane-1,2-diamine
CN1c2ccccc2N=C3C1=CC=CC3=O	3J8	5-methylphenazin-1(5h)-one
C[C@]12CCCO[C@@H]1[C@]3(COC(=N3)N)c4cc(ccc4O2)c5cccnc5F	3J9	(4r,4a's,10a'r)-8'-(2-fluoropyridin-3-yl)-4a'-methyl-3',4',4a',10a'-tetrahydro-2'h-spiro[1,3-oxazole-4,10'-pyrano[3,2-b]chromen]-2-amine
Cn1cc(cn1)c2c[nH]c3c2c(ncn3)N4CCOCC4	3JA	5-(1-methyl-1h-pyrazol-4-yl)-4-(morpholin-4-yl)-7h-pyrrolo[2,3-d]pyrimidine
Cc1nc(no1)[C@H]2CN(CCO2)c3c4c(c[nH]c4ncn3)c5cccc(c5)C#N	3JB	3-{4-[(2r)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-7h-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile
Cc1c2c(nc(n1)N)C[C@@H](CC2=O)c3ccccc3	3JC	(7s)-2-amino-4-methyl-7-phenyl-7,8-dihydroquinazolin-5(6h)-one
c1cc2cn(nc2c(c1)C(=O)N)c3ccc(cc3)[C@@H]4CCCNC4	3JD	2-{4-[(3s)-piperidin-3-yl]phenyl}-2h-indazole-7-carboxamide
c1ccc(cc1)C#C[P+](c2ccccc2)(c3ccccc3)c4ccccc4	3JE	triphenyl(phenylethynyl)phosphonium
Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C)O	3JF	n-acetyl-3-methyl-l-valyl-(4r)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide
CC(C)(C)CC(=O)N1C[C@@H](C[C@H]1C(=O)NCc2ccc(cc2)c3cnco3)O	3JG	(4r)-1-(3,3-dimethylbutanoyl)-4-hydroxy-n-[4-(1,3-oxazol-5-yl)benzyl]-l-prolinamide
Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C)O	3JH	n-acetyl-l-leucyl-3-methyl-l-valyl-(4r)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide
c1ccc(cc1)CCCC(=O)NC2=C(C=C[N](=C2)O)C(=O)O	3JI	3-(4-phenylbutanamido)pyridine-4-carboxylic acid
Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)C)O	3JJ	n-acetyl-3-methyl-l-valyl-3-methyl-l-valyl-(4r)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide
Cc1c(ocn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)CC(C)(C)C)O	3JK	(4r)-1-(3,3-dimethylbutanoyl)-4-hydroxy-n-[4-(4-methyl-1,3-oxazol-5-yl)benzyl]-l-prolinamide
c1cc(c(c(c1)C(=O)O)C(=O)O)CCCC(=O)O	3JL	3-(3-carboxypropyl)benzene-1,2-dicarboxylic acid
c1cc(c(c(c1)C(=O)O)C(=O)O)CCC(=O)O	3JM	3-(2-carboxyethyl)benzene-1,2-dicarboxylic acid
c1cc(c(c(c1)C(=O)O)C(=O)O)/C=C/CC(=O)O	3JN	3-[(1e)-3-carboxyprop-1-en-1-yl]benzene-1,2-dicarboxylic acid
Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](Cc4ccccc4)NC(=O)C)O	3JO	n-acetyl-l-phenylalanyl-3-methyl-l-valyl-(4r)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide
CC[C@H]1CN(C(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c3cc(cc(c3)Cl)Cl)CCOc4ccc(c(c4)OC)OC	3JP	(1s,5s,6r)-10-[(3,5-dichlorophenyl)sulfonyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-5-ethyl-3,10-diazabicyclo[4.3.1]decan-2-one
COc1ccc(cc1OC)OCCN2C[C@@H]([C@H]3CCC[C@@H](C2=O)N3S(=O)(=O)c4cc(cc(c4)Cl)Cl)[C@H](CO)O	3JQ	(1s,5s,6r)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1r)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one
COc1ccc(cc1OC)OCCN2C[C@@H]([C@H]3CCC[C@@H](C2=O)N3S(=O)(=O)c4cc(cc(c4)Cl)Cl)[C@@H](CO)O	3JR	(1s,5s,6r)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1s)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one
Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H]4C[C@H](CN4C(=O)C)O)O	3JS	(4r)-1-acetyl-4-hydroxy-l-prolyl-(4r)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide
CC(C)(C)CC(=O)N1C[C@@H](C[C@H]1C(=O)NCc2ccc(cc2)c3cncs3)O	3JT	(4r)-1-(3,3-dimethylbutanoyl)-4-hydroxy-n-[4-(1,3-thiazol-5-yl)benzyl]-l-prolinamide
Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)CC(C)(C)C)O	3JU	(4r)-1-(3,3-dimethylbutanoyl)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide
Cc1cc(ccc1c2cncs2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)CC(C)(C)C)O	3JV	(4r)-1-(3,3-dimethylbutanoyl)-4-hydroxy-n-[3-methyl-4-(1,3-thiazol-5-yl)benzyl]-l-prolinamide
CCS(=O)(=O)N1CC(C1)(CC#N)n2cc(cn2)c3c4cc[nH]c4ncn3	3JW	baricitinib
Cc1c(n(c2c1cc(cc2)C(=O)N[C@@H](C)c3ccc(cc3)[N+](=O)[O-])Cc4ccc(cc4)c5ccccc5C(=O)O)C	3JX	4'-[(2,3-dimethyl-5-{[(1s)-1-(4-nitrophenyl)ethyl]carbamoyl}-1h-indol-1-yl)methyl]biphenyl-2-carboxylic acid
CC1=CN(C(=O)NC1=O)[C@@H]2CC[C@@H](C2)O[C@@H](C(=O)OC)P(=O)(O)O	3JY	[(1r)-2-methoxy-1-{[(1s,3r)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)cyclopentyl]oxy}-2-oxoethyl]phosphonic acid
CN(c1ccccc1CNc2c(cnc(n2)Nc3ccc4c(c3)CC(=O)N4)C(F)(F)F)S(=O)(=O)C	3JZ	n-methyl-n-{2-[({2-[(2-oxo-2,3-dihydro-1h-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]phenyl}methanesulfonamide
C(CC(=O)O)[C@@H](C(=O)O)NS(=O)(=O)N	3K0	n-sulfamoyl-l-glutamic acid
c1cc(ccc1c2[nH]nnn2)C3=NC=C(C(=O)N3)O	3K1	5-hydroxy-2-[4-(1h-tetrazol-5-yl)phenyl]pyrimidin-4(3h)-one
Cc1c(n(c2c1cc(cc2)C(=O)N[C@H](C)c3ccc(cc3)[N+](=O)[O-])Cc4ccc(cc4)c5ccccc5C(=O)O)C	3K2	4'-[(2,3-dimethyl-5-{[(1r)-1-(4-nitrophenyl)ethyl]carbamoyl}-1h-indol-1-yl)methyl]biphenyl-2-carboxylic acid
c1cc2c(cc1C(F)(F)F)nc([nH]2)[C@H]3[C@H]4[C@@H]3Oc5c4cc(cc5)Oc6ccnc7c6CCC(=O)N7	3K3	5-({(1r,1as,6br)-1-[5-(trifluoromethyl)-1h-benzimidazol-2-yl]-1a,6b-dihydro-1h-cyclopropa[b][1]benzofuran-5-yl}oxy)-3,4-dihydro-1,8-naphthyridin-2(1h)-one
C[C@H]1[C@H](N1)C(=O)O	3K4	(2s,3s)-3-methylaziridine-2-carboxylic acid
C[C@@H]1CO[C@]2(C[C@@H]1OC(=O)/C=C/c3ccccc3)[C@]4(CO4)[C@@H]5CC[C@@H](C[C@@H]5O2)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C)O)OC(=O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C)O)OC(=O)C)O	3K5	3-o-acetyl-2-o-(3-o-acetyl-6-deoxy-beta-d-glucopyranosyl)-6-deoxy-1-o-{[(2r,2's,3a'r,4''s,5''r,6's,7a's)-5''-methyl-4''-{[(2e)-3-phenylprop-2-enoyl]oxy}decahydrodispiro[oxirane-2,3'-[1]benzofuran-2',2''-pyran]-6'-yl]carbonyl}-beta-d-glucopyranose
C[C@@H]1Cn2c(c(cn2)c3ccc(cc3)S(=O)(=O)N(C)C)CN1c4ccnc5c4cc[nH]5	3K6	n,n-dimethyl-4-[(6r)-6-methyl-5-(1h-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]benzenesulfonamide
Cc1c(n2c(n1)c(cc(n2)Cl)N)c3ccc(c(c3)OC)OC	3K7	6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine
COc1ccc2c(c1)c3cc(c(cc3c4c2CN5CCCC[C@@H]5C4)OC)OC	3K8	(14ar)-2,3,6-trimethoxy-11,12,13,14,14a,15-hexahydro-9h-dibenzo[f,h]pyrido[1,2-b]isoquinoline
COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4ccc(cc4F)n5cccn5	3K9	1-[2-fluoro-4-(1h-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1h-pyrazol-5-yl)pyridazin-4(1h)-one
C1[C@H]([C@@H](O[C@@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O	3KA	1-(2-deoxy-5-o-phosphono-beta-l-erythro-pentofuranosyl)pyrimidine-2,4(1h,3h)-dione
COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4cccc(c4)C(F)(F)F	3KB	5-methoxy-3-(1-phenyl-1h-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1h)-one
c1ccc2c(c1)-c3ccnc4c3c(c[nH]4)C(=N2)c5ccc(cc5Cl)O	3KC	3-chloro-4-(4h-3,4,7-triazadibenzo[cd,f]azulen-6-yl)phenol
c1c2c(cc3c1OCO3)[C@@H]4[C@@H]([C@H](C=C5[C@H]4N(C2)CC5)O)O	3KD	(1s,2s,12bs,12cs)-2,4,5,7,12b,12c-hexahydro-1h-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1,2-diol
COc1ccc(cc1)Cn2nc(nn2)c3cccc(c3)C(=O)NCc4ccc(cc4)C(=O)O	3KE	4-{[({3-[2-(4-methoxybenzyl)-2h-tetrazol-5-yl]phenyl}carbonyl)amino]methyl}benzoic acid
c1c2c(c(c3c1OCO3)O)C(=O)N[C@@H]4C2=C[C@@H]([C@H]([C@H]4O)O)O	3KF	(2s,3r,4s,4ar)-2,3,4,7-tetrahydroxy-3,4,4a,5-tetrahydro[1,3]dioxolo[4,5-j]phenanthridin-6(2h)-one
c1ccc(cc1)n2c(ccn2)C3=NN(C=CC3=O)c4cccc(c4)C(F)(F)F	3KG	3-(1-phenyl-1h-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1h)-one
c1cc2c(cc1c3nnc(s3)N)[nH]nn2	3KH	5-(1h-benzotriazol-6-yl)-1,3,4-thiadiazol-2-amine
C=CC#CC#C/C=C/C[C@H]([C@@H](CCCCC(=O)O)O)O	3KI	(6~{r},7~{r},9~{e})-6,7-bis(oxidanyl)hexadeca-9,15-dien-11,13-diynoic acid
[H]/N=C(/NCCC[C@@H](C(=O)O)N)\N(C)O	3KJ	n~5~-(n-hydroxy-n-methylcarbamimidoyl)-l-ornithine
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C(C)(C)O)O	3KK	s-{(3r,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 2-hydroxy-2-methylpropanethioate
C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C	3KL	(5beta,9beta)-3-oxocholan-24-oic acid
[H]/N=C(\c1cccc(c1)OC[C@@H](C(=O)N2CCC(CC2)CCN)NS(=O)(=O)c3ccc4ccccc4c3)/N	3KM	3-({(2s)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-[(naphthalen-2-ylsulfonyl)amino]-3-oxopropyl}oxy)benzenecarboximidamide
c1cncc(c1N)c2nnc(s2)N	3KN	3-(5-amino-1,3,4-thiadiazol-2-yl)pyridin-4-amine
[H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCN(C3)C(=O)CC4CCCC4	3KO	(2e,5r)-5-(2-cyclohexylethyl)-5-{[(3r)-1-(cyclopentylacetyl)pyrrolidin-3-yl]methyl}-2-imino-3-methylimidazolidin-4-one
C(C(CCl)Cl)Cl	3KP	1,2,3-trichloropropane
COc1ccc(c(c1OC)OCC(=O)NCc2ccccc2)C(=O)Cc3c(cncc3Cl)Cl	3KQ	n-benzyl-2-{6-[(3,5-dichloropyridin-4-yl)acetyl]-2,3-dimethoxyphenoxy}acetamide
COCCN1CCC(CC1)(C(=O)N=O)S(=O)(=O)c2ccc(cc2)Oc3ccc(cc3)OC(F)(F)F	3KR	1-(2-methoxyethyl)-n-oxo-4-({4-[4-(trifluoromethoxy)phenoxy]phenyl}sulfonyl)piperidine-4-carboxamide
C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)O)N)C(=O)O)C(=O)O)NC(=O)C	3KS	n-acetyl-l-alanyl-n-[(1s,5r)-5-amino-1,5-dicarboxypentyl]-d-glutamine
[H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCC[C@H](C3)NC4CCCC4	3KT	(2e,5r)-5-(2-cyclohexylethyl)-5-{[(1s,3r)-3-(cyclopentylamino)cyclohexyl]methyl}-2-imino-3-methylimidazolidin-4-one
[H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCC[C@H](C3)NC(=O)c4ccncc4	3KU	n-[(1r,3s)-3-{[(2e,4r)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]pyridine-4-carboxamide
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	3KV	retinoic acid
[H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCC[C@H](C3)Nc4ccc5ccccc5n4	3KW	(2e,5r)-5-(2-cyclohexylethyl)-2-imino-3-methyl-5-{[(1s,3r)-3-(quinolin-2-ylamino)cyclohexyl]methyl}imidazolidin-4-one
c1ccc(cc1)C2=C(C=C(NC2=O)CC3CCCCC3)O	3KX	6-(cyclohexylmethyl)-4-hydroxy-3-phenylpyridin-2(1h)-one
CC1(CCC(CC1)CC2=CC(=C(C(=O)N2)c3ccccc3)O)C	3KY	6-[(4,4-dimethylcyclohexyl)methyl]-4-hydroxy-3-phenylpyridin-2(1h)-one
C[C@@H]1CN(CC[C@@H]1c2cc3c(cc2c4ccccc4F)OCC5=NNC(=O)[C@H](N35)C)C	3KZ	(1r)-9-[(3s,4s)-1,3-dimethylpiperidin-4-yl]-8-(2-fluorophenyl)-1-methyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1h)-one
C[C@@H]1C(=O)NN=C2N1c3cc(c(cc3OC2)c4ccccc4)N(C)C5(CN(C5)C)C	3L0	(1r)-9-[(1,3-dimethylazetidin-3-yl)(methyl)amino]-1-methyl-8-phenyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1h)-one
c1nc(c2c(n1)n(cn2)[C@@H]3C[C@H]([C@@H](O3)CO)O)N	3L1	(2s,3r,5s)-5-(6-amino-9h-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol
C[C@@H]1CCOC(=O)/C=C/C=C\C(=O)O[C@@H]2C[C@@H]3[C@]4([C@]2([C@]5(CCC(=C[C@H]5O3)C)COC(=O)[C@H]1O)C)CO4	3L2	(4s,5r,10e,12z,16r,16as,17s,18r,19ar,23ar)-4-hydroxy-5,16a,21-trimethyl-4,5,6,7,16,16a,22,23-octahydro-3h,18h,19ah-spiro[16,18-methano[1,6,12]trioxacyclooctadecino[3,4-d]chromene-17,2'-oxirane]-3,9,14-trione
C(CN(CCO/C=C/P(=O)(O)O)/C=C/P(=O)(O)O)n1c2c(nc1Br)C(=O)NC(=N2)N	3L3	[(e)-2-(2-{[2-(2-amino-8-bromo-6-oxo-1,6-dihydro-9h-purin-9-yl)ethyl][(e)-2-phosphonoethenyl]amino}ethoxy)ethenyl]phosphonic acid
c1nc2c(n1CCN(CCOCP(=O)(O)O)/C=C/P(=O)(O)O)N=C(NC2=O)N	3L4	[(2-{[2-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)ethyl][(e)-2-phosphonoethenyl]amino}ethoxy)methyl]phosphonic acid
c1nc2c(n1CCN(CCOCCP(=O)(O)O)CCP(=O)(O)O)NC(=NC2=O)N	3L5	(2-{[2-(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)ethyl][2-(2-phosphonoethoxy)ethyl]amino}ethyl)phosphonic acid
c1nc2c(n1CCN(CCCN)CCP(=O)(O)O)N=C(NC2=O)N	3L6	(2-{[2-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)ethyl](3-aminopropyl)amino}ethyl)phosphonic acid
c1nc2c(n1CCN(CCO/C=C/P(=O)(O)O)CCP(=O)(O)O)N=CNC2=O	3L7	(2-{[2-(6-oxo-1,6-dihydro-9h-purin-9-yl)ethyl](2-{[(e)-2-phosphonoethenyl]oxy}ethyl)amino}ethyl)phosphonic acid
c1nc2c(n1CCN(CCOCP(=O)(O)O)CCP(=O)(O)O)N=CNC2=O	3L8	[(2-{[2-(6-oxo-1,6-dihydro-9h-purin-9-yl)ethyl](2-phosphonoethyl)amino}ethoxy)methyl]phosphonic acid
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)Oc3c(cc(cc3O)C4=C(C(=O)c5c(cc(cc5O4)O)O)O[C@H]6[C@@H]([C@@H]([C@H]([C@@H](O6)C)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)COC(=O)/C=C/c8ccc(c(c8)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)O)O	3L9	montbretin a
CCCCCCCCCC(=O)CC(=O)O	3LA	3-oxododecanoic acid
CC(C)(C(=O)O)ON=C(c1csc(n1)N)C(=O)N[C@H](C=O)[C@@H](CC=C)NC(=O)NS(=O)(=O)N2C(=O)N(C(=N2)C3=CC(=O)C(C=N3)O)CCCS(=O)(=O)C	3LB	(3r,4s,7z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-[(5r)-5-hydroxy-4-oxo-4,5-dihydropyridin-2-yl]-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1h-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-3-(prop-2-en-1-yl)-9-oxa-2,5,8-triazaundec-7-en-11-oic acid
CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@H](C=C)NC(=O)NS(=O)(=O)N2C(=O)N(C(=N2)C3=NC=C(C(=O)C3)O)CCCS(=O)(=O)C	3LC	(3s,4s,7z)-7-(2-amino-1,3-thiazol-4-yl)-3-ethenyl-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1h-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid
c1ccc(cc1)CCC2=CC(=O)C(=NN2)O	3LD	3-hydroxy-6-(2-phenylethyl)pyridazin-4(1h)-one
C[C@@H]([C@@H](C=O)NC(=O)/C(=N\OC(C)(C)C(=O)O)/c1csc(n1)N)NC(=O)NS(=O)(=O)N2C(=O)N(C(=N2)C3=NC=C(C(=O)C3)O)CCCS(=O)(=O)C	3LE	(3s,4s,7z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1h-1,2,4-triazol-1-yl}sulfonyl)amino]-3,10,10-trimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid
COc1cc(cc(c1OC)OC)CCC(=O)O	3LF	3-(3,4,5-trimethoxyphenyl)propanoic acid
COc1ccccc1COCCCOc2ccc(cc2)N3[C@H](CNCC3=O)COc4ccc5c(c4)ccn5CC(=O)O	3LG	(5-{[(2r)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)-6-oxopiperazin-2-yl]methoxy}-1h-indol-1-yl)acetic acid
CCC(=O)Nc1cc(ccc1C)N2c3c4cc(ccc4ncc3C=CC2=O)c5c[nH]nc5	3LH	n-{2-methyl-5-[2-oxo-9-(1h-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1(2h)-yl]phenyl}propanamide
Cc1cccc(c1Nc2nc(nc(n2)N3CCN(CC3)c4ccccc4Cl)[N@@]5CSC[C@H]5C(=O)NCC(=O)NO)C(=O)NC	3LI	(4r)-3-(4-[4-(2-chlorophenyl)piperazin-1-yl]-6-{[2-methyl-6-(methylcarbamoyl)phenyl]amino}-1,3,5-triazin-2-yl)-n-[2-(hydroxyamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxamide
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)OS(=O)(=O)O	3LJ	2-amino-2-deoxy-6-o-sulfo-alpha-d-glucopyranose
CC[C@@]1(C[C@H]([C@@]2([C@@H](CC[C@@]3([C@H]2C(=O)CC3)[C@H]([C@@H]1O)C)C)C)OC(=O)CS[C@H]4CCCN(C4)C(=O)[C@H](C(C)C)N)C	3LK	bc-3205
CC1(COC1)C#Cc2cc3c(nc2)Oc4ccc(cc4[C@@]35COC(=N5)N)c6cccnc6F	3LL	(5s)-7-(2-fluoropyridin-3-yl)-3-[(3-methyloxetan-3-yl)ethynyl]spiro[chromeno[2,3-b]pyridine-5,4'-[1,3]oxazol]-2'-amine
Cc1c(c(c(cn1)COP(=O)(O)O)CN/C(=C/CSC)/C(=O)O)O	3LM	(2e)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-4-(methylsulfanyl)but-2-enoic acid
CC(C)(C)COc1ccc2c(c1)[C@]3(COC(=N3)N)c4cc(ccc4O2)c5cncnc5	3LN	(4s)-2'-(2,2-dimethylpropoxy)-7'-(pyrimidin-5-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine
c1cc(c(nc1)F)c2ccc3c(c2)[C@@]4(COC(=N4)N)c5cc(cc(c5O3)F)C6=CCOCC6	3LO	(4s)-2'-(3,6-dihydro-2h-pyran-4-yl)-4'-fluoro-7'-(2-fluoropyridin-3-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine
Cc1ccc2c(c1)c3c(n2C[C@H](CNC4CCCCC4)O)CCCC3	3LP	1-(cyclohexylamino)-3-(6-methyl-3,4-dihydro-1h-carbazol-9(2h)-yl)propan-2-ol
c1ccc(c(c1)OCCN2C=CC(=O)NC2=O)Oc3cccc4c3ccc(c4)C#N	3LQ	5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile
C[C@@H]([C@@H](C[C@H](C(=O)O)O)O)O	3LR	3,6-dideoxy-l-arabino-hexonic acid
c1cc(sc1c2c(cc(s2)c3ccc(s3)C(=O)O)CC(=O)O)c4c(cc(s4)c5ccc(s5)C(=O)O)CC(=O)O	3LS	3''',4'-bis(carboxymethyl)-2,2':5',2'':5'',2''':5''',2''''-quinquethiophene-5,5''''-dicarboxylic acid
C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)N)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C	3LT	(4r)-4-[[(2s)-2-[[(2r)-2-[(2r,3s,4r,5r,6r)-5-acetamido-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoic acid
c1ccc(cc1)[C@H](C(=O)N[C@@H]([C@@H]2NC(=C(CS2)C[n+]3ccccc3)C(=O)O)C(=O)O)S(=O)(=O)O	3LU	1-({(2r)-4-carboxy-2-[(r)-carboxy{[(2r)-2-phenyl-2-sulfoacetyl]amino}methyl]-3,6-dihydro-2h-1,3-thiazin-5-yl}methyl)pyr idinium
CCCN(CCC)Cc1cc(ccc1N2C(=O)CCC2(CO)CO)C(=O)O	3LV	4-[2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-[(dipropylamino)methyl]benzoic acid
c1cc(sc1C[NH2+]C23CC4CC(C2)CC(C4)C3)Br	3LW	(3s,5s,7s)-n-[(5-bromothiophen-2-yl)methyl]tricyclo[3.3.1.1~3,7~]decan-1-aminium
CCCCCCCCCCCCC=S	3LX	tridecanethial
CCCCCCCCCCCCCCCC(=O)N[C@H](COP(=O)(O)OCC[N+](C)(C)C)[C@H](/C=C\CCCCCCCCCCCCC)O	3LY	[(~{z},2~{r},3~{s})-2-(hexadecanoylamino)-3-oxidanyl-octadec-4-enyl] 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate
CCc1c(cccn1)Oc2cc(cnc2NC(=O)NC)Sc3ccccn3	3LZ	1-{3-[(2-ethylpyridin-3-yl)oxy]-5-(pyridin-2-ylsulfanyl)pyridin-2-yl}-3-methylurea
Cc1cccc(c1N)C(=O)O	3M0	2-azanyl-3-methyl-benzoic acid
c1ccc(c(c1)C(=O)c2cc(c(c(c2)O)O)[N+](=O)[O-])F	3M1	(3,4-dihydroxy-5-nitrophenyl)(2-fluorophenyl)methanone
CN1/C(=C\c2cc(c(c(c2)Br)O)Br)/C(=O)N=C1N	3M2	(5z)-2-amino-5-(3,5-dibromo-4-hydroxybenzylidene)-1-methyl-1,5-dihydro-4h-imidazol-4-one
Cc1c(c(n[nH]1)C)CCCOc2ccccc2F	3M3	4-[3-(2-fluorophenoxy)propyl]-3,5-dimethyl-1h-pyrazole
CCOc1ccccc1c2nc(no2)c3ccncc3	3M4	4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O	3M5	3-oxo-n-[(3s)-2-oxotetrahydrofuran-3-yl]decanamide
C[C@@H]1CN(C(=O)c2cccc(c2O[C@@H]1CN(C)C(=O)Nc3ccc(cc3)C(F)(F)F)NS(=O)(=O)c4ccc(cc4)F)[C@@H](C)C(=O)O	3M6	(2s)-2-[(2s,3r)-10-{[(4-fluorophenyl)sulfonyl]amino}-3-methyl-2-[(methyl{[4-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-5(6h)-yl]propanoic acid
CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)Oc4c5cc(ccc5c(cn4)OC)Cl)C(=O)NS(=O)(=O)C6CC6	3M7	tert-butyl {(2r,4s,6s,12z,13as,14ar,16as)-2-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-14a-[(cyclopropanesulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate
c1c(cc(c(c1F)C#N)SCCS(=O)(=O)O)O	3M8	2-[(2-cyano-3-fluoro-5-hydroxyphenyl)sulfanyl]ethanesulfonic acid
c1ccc2cc(ccc2c1)C[C@H](CC(=O)NO)n3c(cnn3)CNC(=O)c4ccc(cc4)F	3M9	4-fluoro-n-({1-[(2r)-4-(hydroxyamino)-1-(naphthalen-2-yl)-4-oxobutan-2-yl]-1h-1,2,3-triazol-5-yl}methyl)benzamide
C[n+]1cnc(c2c1[nH]cn2)N	3MA	6-amino-3-methylpurine
COc1cccc(c1)C(=O)N	3MB	3-methoxybenzamide
C[N+]1=C(C=CNC1=O)N	3MC	3-methylcytosine
C[C@@H]([C@@H](C(=O)O)N)C(=O)O	3MD	2s,3s-3-methylaspartic acid
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCOCCN(C)C	3ME	2'-o-{2-[2-(dimethylamino)ethoxy]ethyl}-5-methyluridine 5'-(dihydrogen phosphate)
CO[C@@H]([C@@H]([C@@H](CO)O)O)C(=O)CO	3MF	3-o-methylfructose in linear form
CO[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1O)O)CO)O	3MG	3-o-methyl-beta-d-glucopyranose
CC1=CC=CN(C1=S)O	3MH	1-hydroxy-3-methylpyridine-2(1h)-thione
c1cc2c(cc1C(=O)O)oc(n2)c3cc(cc(c3)Cl)Cl	3MI	2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid
CCCCCCCCCCCC(=O)c1cc(c(c(c1)O)O)O	3MJ	1-(3,4,5-trihydroxyphenyl)dodecan-1-one
C([C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O	3MK	beta-l-altropyranose
CC1=CC(=O)O[C@H]1CC(=O)O	3ML	[(2s)-3-methyl-5-oxo-2,5-dihydrofuran-2-yl]acetic acid
C[N+](C)(C)[C@H](CCSC)C(=O)O	3MM	(1r)-1-carboxy-n,n,n-trimethyl-3-(methylsulfanyl)propan-1-aminium
C[C@]1(C(=O)N(C(=O)N1Cc2cccc(c2)C#N)CCCn3ccnc3)c4cccc5c4cccc5	3MN	3-({3-[3-(1h-imidazol-1-yl)propyl]-5-methyl-5-(1-naphthyl)-2,4-dioxoimidazolidin-1-yl}methyl)benzonitrile
CN1CCOC1=O	3MO	3-methyl-1,3-oxazolidin-2-one
Cc1cccnc1	3MP	3-methylpyridine
c1cc(sc1)c2cc(no2)CO	3MQ	(5-thiophen-2-ylisoxazol-3-yl)methanol
CN(C1CCCCC1)C(=O)CC[C@@H](C2CCCCC2)N3Cc4cc(ccc4N=C3N)Oc5ccccc5	3MR	(4s)-4-(2-amino-6-phenoxyquinazolin-3(4h)-yl)-n,4-dicyclohexyl-n-methylbutanamide
CC(C)CCN1C(=O)C(=C(c2n1ccc2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)NS(=O)(=O)C	3MS	n-{3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydropyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxido-2h-1,2,4-benzothiadiazin-7 -yl}methanesulfonamide
C[n+]1ccsc1	3MT	3-methylthiazolium ion
CN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	3MU	3-methyluridine 5'-(dihydrogen phosphate)
CC[C@@H](C)C[C@@H](CC)C(C)C	3MV	(3r,5r)-3-ethyl-2,5-dimethylheptane
c1cnn(c1)c2ccc(cc2)[C@H](C(=O)NO)NC(=O)c3ccc(cc3)N	3MW	4-amino-n-{(1r)-2-(hydroxyamino)-2-oxo-1-[4-(1h-pyrazol-1-yl)phenyl]ethyl}benzamide
CCCCCCCCCC(=O)c1cc(c(c(c1)O)O)O	3MX	1-(3,4,5-trihydroxyphenyl)decan-1-one
c1cc(c(cc1C[C@H](C(=O)O)N)Cl)O	3MY	3-chloro-d-tyrosine
CCCCCCCCC(=O)c1ccc(c(c1O)O)O	3MZ	1-(2,3,4-trihydroxyphenyl)nonan-1-one
CCCCCC(=O)c1cc(c(c(c1)O)O)O	3N0	1-(3,4,5-trihydroxyphenyl)hexan-1-one
Cc1c2cc(ccc2sc1CC(=O)O)Cl	3N1	(5-chloro-3-methyl-1-benzothiophen-2-yl)acetic acid
c1cc2c(cc1Cl)c(cs2)CC(=O)O	3N2	(5-chloro-1-benzothiophen-3-yl)acetic acid
c1ccc(cc1)COC(=O)N2c3ccccc3C[C@H]2C(=O)O	3N3	(2s)-1-[(benzyloxy)carbonyl]-2,3-dihydro-1h-indole-2-carboxylic acid
c1ccc2c(c1)ccc3c2c(cs3)CC(=O)O	3N4	naphtho[2,1-b]thiophen-1-ylacetic acid
c1ccc(cc1)COC(=O)N2c3ccccc3C[C@@H]2C(=O)O	3N5	(2r)-1-[(benzyloxy)carbonyl]-2,3-dihydro-1h-indole-2-carboxylic acid
c1ccc2c(c1)CN(C(=O)N2)C3CCN(CC3)C(=O)N[C@H](Cc4cc(c(c(c4)Br)O)Br)C(=O)N[C@@H](CCCCN)C(=O)N5CCN(CC5)c6ccncc6	3N6	n-{(1s)-5-amino-1-[(4-pyridin-4-ylpiperazin-1-yl)carbonyl]pentyl}-3,5-dibromo-nalpha-{[4-(2-oxo-1,4-dihydroquinazolin-3 (2h)-yl)piperidin-1-yl]carbonyl}-d-tyrosinamide
Cc1cc(nc(n1)Nc2ccc3c(c2)cn[nH]3)Nc4cc([nH]n4)C5CC5	3N7	n~4~-(5-cyclopropyl-1h-pyrazol-3-yl)-n~2~-1h-indazol-5-yl-6-methylpyrimidine-2,4-diamine
c1cc(c(cc1F)O)O	3N8	4-fluorobenzene-1,2-diol
C1=CC(=O)[C@@](C=C1F)(O)OO	3N9	(6s)-4-fluoro-6-hydroperoxy-6-hydroxycyclohexa-2,4-dien-1-one
c1ccc2c(c1)c(cn2CC(=O)O)Cc3nc4c(c(cc(c4s3)F)F)F	3NA	{3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-1h-indol-1-yl}acetic acid
CCCCCCCC(=O)c1cc(c(c(c1)O)O)O	3NB	1-(3,4,5-trihydroxyphenyl)octan-1-one
c1c2c(cc(c1NC(=O)C3CCC(CC3)N)Cl)C(=O)NC=C2	3NC	cis-4-amino-n-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)cyclohexanecarboxamide
c1cc(ccc1[C@@H]2CNC[C@H]2C(=O)Nc3cc4c(cc3Cl)C(=O)N=CC4)Cl	3ND	(3s,4r)-n-(7-chloro-1-oxo-1,4-dihydroisoquinolin-6-yl)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide
c1cc(cc(c1)C(F)(F)F)c2c3c([nH]n2)NC(=O)C=C3C(F)(F)F	3NE	4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,7-dihydro-6h-pyrazolo[3,4-b]pyridin-6-one
CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O	3NF	n-acetyl-l-tyrosine
c1cc(cc(c1)Cl)Nc2c3ccncc3c4ccc(cc4n2)C(=O)O	3NG	5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid
c1ccc(cc1)C[C@@H]([C@H](C[C@]2(C(=O)C(CN2)[C@H]3c4ccccc4C[C@H]3OC(N)O)Cc5ccccc5)O)NC(=O)OC6CCOC6	3NH	(3s)-tetrahydrofuran-3-yl (1r,2s)-3-[4-((1r)-2-{[(s)-amino(hydroxy)methyl]oxy}-2,3-dihydro-1h-inden-1-yl)-2-benzyl-3-oxopyrrolidin-2-yl]-1-benzyl-2-hydroxypropylcarbamate
[Ni+3]	3NI	nickel (iii) ion
C1=CC(=O)OC(=O)C=C1F	3NJ	4-fluorooxepine-2,7-dione
CC(=O)CC(=O)c1ccc2cc(ccc2c1)OC	3NK	1-(6-methoxynaphthalen-2-yl)butane-1,3-dione
c1ccc(c(c1)NC(=O)Nc2cnn(c2)c3cccc(c3)C(=O)Nc4cnn(c4)[C@H]5CCNC5)Cl	3NL	3-(4-{[(2-chlorophenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-n-{1-[(3s)-pyrrolidin-3-yl]-1h-pyrazol-4-yl}benzamide
Cc1c(sc(n1)C(=O)O)CCOP(=O)(O)O	3NM	4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazole-2-carboxylic acid
C(C[N+](=O)[O-])C(=O)O	3NP	3-nitropropanoic acid
C[C@]12CC[C@@H](C[C@@H]1/C(=N/O)/C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C)O	3NQ	6-oxime-17-(3-pyridyl)-androst-16-en-3-ol
C[C@]12CC[C@@H](CC1=C(C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C)C#N)O	3NR	6-cyano-17-(3-pyridyl)-androst-5,16-dien-3-ol
Cc1nc2ccccc2n1CCNC(=O)C[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)CO	3NS	(3s)-4-hydroxy-3-{[(2s)-4-{[2-(2-methyl-1h-benzimidazol-1-yl)ethyl]amino}-2-(1-methylethyl)-4-oxobutanoyl]amino}butanoic acid
Cc1cccc(c1)[N+](=O)[O-]	3NT	3-nitrotoluene
CC(C)c1c(c[nH]n1)c2ccnc(n2)NC3CCN(CC3)C	3NU	4-[3-(1-methylethyl)-1h-pyrazol-4-yl]-n-(1-methylpiperidin-4-yl)pyrimidin-2-amine
CC(C)c1c(c([nH]n1)Cl)c2ccnc(n2)Nc3ccc(cn3)N4CCNCC4	3NV	4-[5-chloro-3-(1-methylethyl)-1h-pyrazol-4-yl]-n-(5-piperazin-1-ylpyridin-2-yl)pyrimidin-2-amine
CCNC(=O)NCc1ccccc1c2cc(nc(n2)NCCN(C)C)c3cnc(s3)NC(C)C	3NW	1-[2-(2-{[2-(dimethylamino)ethyl]amino}-6-{2-[(1-methylethyl)amino]-1,3-thiazol-5-yl}pyrimidin-4-yl)benzyl]-3-ethylurea
C[C@]12CC[C@@H](CC1=C(C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C)C(=O)N)O	3NX	3-hydroxy-17-(3-pyridyl)-androst-5,16-dien-6-amide
c1cc2c(cc1[N+](=O)[O-])nn[nH]2	3NY	5-nitro-1h-benzotriazole
COc1ccc(cc1)C[C@@H](C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)CO)N	3NZ	3'-deoxy-3'-[(o-methyl-l-tyrosyl)amino]adenosine
c1cc(cc(c1)[N+](=O)[O-])C(=O)c2c(nc(s2)Nc3ccc(cc3)Cl)N	3O0	{4-amino-2-[(4-chlorophenyl)amino]-1,3-thiazol-5-yl}(3-nitrophenyl)methanone
CC(C)(C)OC(=O)NCCCCOc1ccc(cc1)S(=O)(=O)N	3O1	tert-butyl 4-(4-sulfamoylphenoxy)butylcarbamate
COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c2ccc(cc2)OCCCn3nc(nn3)c4ccc(cc4)OC(F)(F)F	3O2	n-hydroxy-1-(2-methoxyethyl)-4-{[4-(3-{5-[4-(trifluoromethoxy)phenyl]-2h-tetrazol-2-yl}propoxy)phenyl]sulfonyl}piperidine-4-carboxamide
C(CC(=O)O)[C@@H](C(=O)O)NCC[C@@H](C(=O)O)N	3O3	n-[(3s)-3-amino-3-carboxypropyl]-l-glutamic acid
CC(=O)Nc1ccc(cc1)c2ccnc(n2)Nc3ccc(cc3)N4CCOCC4	3O4	n-[4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]phenyl]ethanamide
c1cc(ccc1OCCCCN)S(=O)(=O)N	3O5	4-(4-sulfamoyl-phenoxy)-butylammonium
Cn1c(c(c(n1)C(F)(F)F)c2ccc(cc2)F)NC(=O)Nc3ccc(cc3)F	3O6	1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)-1h-pyrazol-5-yl]urea
c1cc(c2c(c1O)C(=O)c3c(ccc(c3C2=O)O)O)O	3O7	1,4,5,8-tetrahydroxyanthracene-9,10-dione
c1cc(c2c(c1N)C(=O)c3c(ccc(c3C2=O)O)O)NCCNCCO	3O8	1-amino-5,8-dihydroxy-4-({2-[(2-hydroxyethyl)amino]ethyl}amino)anthracene-9,10-dione
c1cc(c2c(c1NCCOCCO)C(=O)c3c(ccc(c3C2=O)O)O)NCCOCCO	3OA	1,4-dihydroxy-5,8-bis{[2-(2-hydroxyethoxy)ethyl]amino}anthracene-9,10-dione
CN(C)C1=C(C=C(NC1=O)CC(=O)N2CCc3ccccc3C2)Oc4cc(cc(c4)Cl)C#N	3OB	3-chloro-5-({6-[2-(3,4-dihydroisoquinolin-2(1h)-yl)-2-oxoethyl]-3-(dimethylamino)-2-oxo-1,2-dihydropyridin-4-yl}oxy)benzonitrile
C1C[C@H](CC(=O)C1)C(=O)O	3OC	(1r)-3-oxocyclohexanecarboxylic acid
CC(=O)O[C@@H]1[C@@H](O[C@@H]([C@@H]1O)O)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	3OD	(2s,3s,4r,5s)-2-({[(s)-{[(s)-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-4,5-dihydroxytetrahydrofuran-3-yl acetate
Cc1ccsc1CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)c3ccc(cc3)OCc4ccccc4	3OE	4-(benzyloxy)-n-[(2s,3r)-3-hydroxy-1-{[(2s)-1-{[(3-methylthiophen-2-yl)methyl]amino}-1-oxo-4-phenylbutan-2-yl]amino}-1-oxobutan-2-yl]benzamide
[OH2][Fe+3][OH2]	3OF	hydrated fe (iii) ion, 2 waters coordinated
CCCCCCCCCC[C@@H]([C@H]1CCCC(=O)O1)OC(=O)C	3OG	(1s)-1-[(2r)-6-oxotetrahydro-2h-pyran-2-yl]undecyl acetate
C(CO)C(=O)O	3OH	3-hydroxy-propanoic acid
B1(c2ccc(cc2CO1)Oc3ccc(c(c3)C#N)C#N)O	3OJ	4-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)oxy]benzene-1,2-dicarbonitrile
c1cc(c2c(c1NCCN)C(=O)c3c(ccc(c3C2=O)O)O)NCCN	3OK	1,4-bis[(2-aminoethyl)amino]-5,8-dihydroxyanthracene-9,10-dione
CCCCC[C@H](C=C)O	3OL	(3r)-oct-1-en-3-ol
CCCCC[C@@H](C=C)O	3OM	(3s)-1-octen-3-ol
CC1=C(C(C[C@@H](C1)O)(C)C)\C=C\C(=C\C=C\C(=C/C=C/C=C(/C)\C=C\C=C(/C)\CO)\C)\C	3ON	(3r)-3-hydroxy-8'-apocarotenol
CC(C)(C)NCCCNC(=O)c1cccc(c1)Br	3OO	3-bromo-n-[3-(tert-butylamino)propyl]benzamide
c1cc(cnc1)Oc2cccnc2	3OP	3,3'-oxydipyridine
C[C@](c1ccc(cc1)S(=O)(=O)c2ccc(cc2CCF)C#N)(C(F)(F)F)O	3OQ	3-(2-fluoroethyl)-4-({4-[(2s)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl}sulfonyl)benzonitrile
c1cc(c(cc1I)F)Nc2c(cc(c(c2F)F)CN3C(=O)CCCO3)C(=O)NOCCO	3OR	3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-n-(2-hydroxyethoxy)-5-[(3-oxo-1,2-oxazinan-2-yl)methyl]benzamide
C#Cc1ccc(c(c1)F)Nc2c(cc(c(c2F)F)C=NOCCO)C(=O)NOCCO	3OS	2-[(4-ethynyl-2-fluorophenyl)amino]-3,4-difluoro-n-(2-hydroxyethoxy)-5-{[(2-hydroxyethoxy)imino]methyl}benzamide
COC1=CC(=CC=CC1=O)c2ccc3c(c2)nc(n3CCN4CCOCC4)CCc5ccccc5	3OT	2-methoxy-4-{1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1h-benzimidazol-5-yl}cyclohepta-2,4,6-trien-1-one
CN1C=C(C=C(C1=O)Nc2ccc(cn2)C(=O)N3CCOCC3)c4cccc(c4CO)N5CCc6cc(ccc6C5=O)N(C)C	3OU	6-(dimethylamino)-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholin-4-ylcarbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]-3,4-dihydroisoquinolin-1(2h)-one
CN1C=C(C=C(C1=O)Nc2ccc(cn2)C(=O)N3CCOCC3)c4cccc(c4CO)N5C=Cc6cc(cc(c6C5=O)F)N(C)C	3OV	6-(dimethylamino)-8-fluoro-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholin-4-ylcarbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]isoquinolin-1(2h)-one
CC(C)CNC(=O)[C@@H](C[C@@H]([C@@H]1COCc2cccc(c2)[C@@H](NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N1)c4ccccc4)O)C(C)C	3OW	(2s,4s)-4-hydroxy-2-(1-methylethyl)-4-[(4s,13s)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]-n-(2-methylpropyl)butanamide
CC(C)CNC(=O)[C@@H](C[C@@H]([C@@H]1COCc2cccc(c2)[C@H](NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N1)c4ccccc4)O)C(C)C	3OX	(2s,4s)-4-hydroxy-2-(1-methylethyl)-4-[(4r,13s)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]-n-(2-methylpropyl)butanamide
CCC(=O)N[C@H](C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3CC3)Oc4c5cc(ccc5ccn4)Br	3OY	n-propanoyl-d-alanyl-(4r)-4-[(7-bromoisoquinolin-1-yl)oxy]-n-{(1r,2s)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-l-prolinamide
Cc1cc(ccc1OCC(=O)O)C[N@@]2Cc3ccccc3[C@H]2C(=O)Nc4ccc(cc4Cl)Cl	3OZ	[4-({(1s)-1-[(2,4-dichlorophenyl)carbamoyl]-1,3-dihydro-2h-isoindol-2-yl}methyl)-2-methylphenoxy]acetic acid
CC(C)(C#N)c1cc2c(c(c1)F)C(=O)N(CC2)c3cccc(c3CO)C4=CN(C(=O)C(=C4)Nc5ccc(cn5)N6CCN(CC6)C)C	3P0	2-{8-fluoro-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl}-2-methylpropanenitrile
c1ccc2c(c1)ccc(n2)CNc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O)N	3P1	8-[(quinolin-2-ylmethyl)amino]adenosine
Cc1c(c(on1)C)c2ccc(cc2)c3c(n4ccncc4n3)NC(C)(C)C	3P2	n-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-amine
C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccccc2)O	3P3	n-[(1s,2r)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-(4-phenylbuta-1,3-diyn-1-yl)benzamide
CCc1c2c([nH][n+]1C3CN(C3)CC)C(=O)NC(=N2)c4cc(cnc4OCCC=C)C(=C)O	3P4	5-[2-(but-3-en-1-yloxy)-5-(1-hydroxyvinyl)pyridin-3-yl]-3-ethyl-2-(1-ethylazetidin-3-yl)-1,2,6,7a-tetrahydro-7h-pyrazolo[4,3-d]pyrimidin-7-one
c1cc(cc(c1)C2CC2)CN[C@H]3CS(=O)(=O)C[C@H]([C@@H]3O)Cc4ccc(c(c4)Br)O	3P5	(3s,4s,5r)-3-(3-bromo-4-hydroxybenzyl)-5-[(3-cyclopropylbenzyl)amino]tetrahydro-2h-thiopyran-4-ol 1,1-dioxide
C[C@@]12Cc3c(c(n[nH]3)C(=O)Nc4cnn(c4)[C@H](c5ccccc5)[C@H]6CCCCS6(=O)=O)C[C@@H]1C2(F)F	3P6	(4as,5ar)-n-{1-[(r)-[(2r)-1,1-dioxidotetrahydro-2h-thiopyran-2-yl](phenyl)methyl]-1h-pyrazol-4-yl}-5,5-difluoro-5a-methyl-1,4,4a,5,5a,6-hexahydrocyclopropa[f]indazole-3-carboxamide
CO[C@@](C=O)([C@@H]1N=C(C(=C)CO1)C(=O)O)NC(=O)[C@@H](c2ccc(cc2)O)C(=O)O	3P7	(2r)-2-[(1r)-1-{[(2r)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2h-1,3 -oxazine-4-carboxylic acid
C[NH3+]	3P8	methylammonium ion
C[C@@H](CO)OC[C@H](C)OC[C@@H](C)O	3P9	(2s)-2-{[(2s)-2-{[(2r)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol
C1CCC(C1)CCC(=O)O	3PA	3-cyclopentyl-propionic acid
C[C@H](CC(=O)O)OP(=O)(O)O	3PB	(3r)-3-(phosphonooxy)butanoic acid
CCCCCC(=O)OC[C@H](CCP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCC	3PC	(3s)-3,4-di-n-hexanoyloxybutyl-1-phosphocholine
c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)OP(=O)(O)O)N=C(NC2=O)N	3PD	2-amino-9-(2-deoxy-3-o-phosphonopentofuranosyl)-1,9-dihydro-6h-purin-6-one
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC	3PE	1,2-distearoyl-sn-glycerophosphoethanolamine
CN1Cc2ccccc2NC1=O	3PF	3-methyl-3,4-dihydroquinazolin-2(1h)-one
C([C@H](C(=O)O)O)OP(=O)(O)O	3PG	3-phosphoglyceric acid
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC	3PH	1,2-diacyl-glycerol-3-sn-phosphate
CCC[C@H](O)OC[C@H](CO[P@](=O)(O)OC1[C@@H]([C@@H](C([C@@H]([C@H]1O)OP(=O)(O)O)O)OP(=O)(O)O)O)OC(=O)CCC	3PI	(1s)-2-(1-hydroxybutoxy)-1-{[(hydroxy{[(2r,3s,5r,6s)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]methyl}ethyl butyrate
C[C@](c1ccc(cc1)C(=O)N(C2CC2)C3CCC(CC3)(CCC(=O)N)c4ccccc4)(C(F)(F)F)O	3PJ	n-[trans-4-(3-amino-3-oxopropyl)-4-phenylcyclohexyl]-n-cyclopropyl-4-[(1s)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide
CCCCCC(=O)O[C@@H](C)COC(=O)CCCC	3PK	(2s)-1-(pentanoyloxy)propan-2-yl hexanoate
c1ccc(cc1)CCC=O	3PL	3-phenylpropanal
CC(C)(C)OC[C@H](C(=O)O)N	3PM	o-tert-butyl-d-serine
OP(=O)(O)OP(=O)(O)OP(=O)(O)O	3PO	triphosphate
C(CP(=O)(O)O)C(=O)O	3PP	3-phosphonopropanoic acid
C[C@]1(C(=O)NC(=O)N1)CNC(=O)COc2ccc(cc2)Cl	3PQ	2-(4-chlorophenoxy)-n-{[(4r)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl}acetamide
Cc1nc2c(cccc2C(=O)Nc3ccc(nc3)OC)c(n1)N	3PS	4-amino-n-(6-methoxypyridin-3-yl)-2-methylquinazoline-8-carboxamide
CCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCC	3PT	(2r)-3-{[(s)-hydroxy{[(1s,2r,3r,4s,5s,6s)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dibutanoate
c1cc2c(cc1Cl)cc(o2)C(=O)NC[C@@]3(C(=O)NC(=O)N3)c4nccs4	3PU	5-chloro-n-{[(4r)-2,5-dioxo-4-(1,3-thiazol-2-yl)imidazolidin-4-yl]methyl}-1-benzofuran-2-carboxamide
Cn1ccnc1[C@]2(C(=O)NC(=O)N2)CNC(=O)c3cc4cc(ccc4o3)Cl	3PW	5-chloro-n-{[(4s)-4-(1-methyl-1h-imidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl}-1-benzofuran-2-carboxamide
CC(C)O[C@H]1CCN[C@@H]1C(=O)O	3PX	(3s)-3-(propan-2-yloxy)-l-proline
C(C(=O)C(=O)O)O	3PY	3-hydroxypyruvic acid
Cn1cncc1CN2C[C@H]([N@@](Cc3c2ccc(c3)C#N)S(=O)(=O)c4ccc(cc4)OC)Cc5ccccc5	3PZ	(3r)-3-benzyl-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1h-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1h-1,4-benzodiazepine-7-carbonitrile
CCNc1cc(nc(n1)N)c2ccc3c(c2)n[nH]c3N	3Q0	6-(3-amino-2h-indazol-6-yl)-n~4~-ethylpyrimidine-2,4-diamine
c1cc2c(cc1c3cc(nc(n3)N)N4CCOCC4)n[nH]c2N	3Q1	6-[2-amino-6-(morpholin-4-yl)pyrimidin-4-yl]-2h-indazol-3-amine
C[C@@H]1COCC[N@@]1c2cc(nc(n2)N)c3ccc4c(c3)n[nH]c4N	3Q2	6-{2-amino-6-[(3r)-3-methylmorpholin-4-yl]pyrimidin-4-yl}-2h-indazol-3-amine
c1ccc(cc1)NC(=O)[C@@H]2C[N@@](CCO2)c3cc(nc(n3)N)c4ccc5c(c4)n[nH]c5N	3Q3	(2s)-4-[2-amino-6-(3-amino-2h-indazol-6-yl)pyrimidin-4-yl]-n-phenylmorpholine-2-carboxamide
C[C@@H]1CC[C@@H](C[N@@]1c2cc(nc(n2)N)c3ccc4c(c3)n[nH]c4N)C(=O)Nc5ccccc5	3Q4	(3s,6r)-1-[2-amino-6-(3-amino-2h-indazol-6-yl)pyrimidin-4-yl]-6-methyl-n-phenylpiperidine-3-carboxamide
C[C@H]1CC[C@H](C[N@]1c2cc(nc(n2)N)c3ccc4c(c3)n[nH]c4N)NC(=O)OC(C)(C)C	3Q5	tert-butyl {(3r,6s)-1-[2-amino-6-(3-amino-2h-indazol-6-yl)pyrimidin-4-yl]-6-methylpiperidin-3-yl}carbamate
C[C@@H]1C[C@H](C[N@](C1)c2cc(nc(n2)N)c3ccc4c(c3)n[nH]c4N)NC(=O)OC(C)(C)C	3Q6	tert-butyl {(3r,5r)-1-[2-amino-6-(3-amino-2h-indazol-6-yl)pyrimidin-4-yl]-5-methylpiperidin-3-yl}carbamate
C[As+](C)(C)CC(=O)[O-]	3Q7	(trimethylarsonio)acetate
CCC1=C(C(=NC1=O)Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)CC\4=NC(=O)[C@H](/C4=C\C)C)C)CCC(=O)O)CCC(=O)O)C)C	3Q8	3-[2-[[5-[[(3e,4s)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1h-pyrrol-2-yl]methyl]-5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
CCC1=C(C(=NC1=O)Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)CC4=NC(=O)C(=C4CC)C)C)CCC(=O)O)CCC(=O)O)C)C	3Q9	3-[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-2-[[5-[(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1h-pyrrol-2-yl]methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
c1c(c2c([nH]1)c(ncn2)N)CN3C[C@@H]([C@H](C3)O)CCSCCOCCO	3QA	(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(2-{[2-(2-hydroxyethoxy)ethyl]sulfanyl}ethyl)pyrrolidin-3-ol
CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)O	3QB	lincomycin
Cc1ccc2c(c1C)CN(C[C@@H]2c3cccc(c3)O)C(=O)N(C)C	3QC	(4r)-4-(3-hydroxyphenyl)-n,n,7,8-tetramethyl-3,4-dihydroisoquinoline-2(1h)-carboxamide
B(CC)(O)O	3QD	ethylboronic acid
c1nc2c(n1C[C@H](COCCP(=O)(O)O)OCCP(=O)(O)O)N=C(NC2=O)N	3QE	{[(2r)-3-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)propane-1,2-diyl]bis(oxyethane-2,1-diyl)}bis(phosphonic acid)
c1nc2c(n1CCN(CCN(CCP(=O)(O)O)CC=O)CCP(=O)(O)O)N=C(NC2=O)N	3QF	[2-([2-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)ethyl]{2-[(2-oxoethyl)(2-phosphonoethyl)amino]ethyl}amino)ethyl]phosphonic acid
c1nc2c(n1CCN(CCN(CCP(=O)(O)O)CCP(=O)(O)O)CCP(=O)(O)O)NC=NC2=O	3QG	[2-({2-[bis(2-phosphonoethyl)amino]ethyl}[2-(6-oxo-3,6-dihydro-9h-purin-9-yl)ethyl]amino)ethyl]phosphonic acid
Cc1ccc(cc1)[C@@H](C)Nc2c3cc(ccc3ncc2C(=O)N)C#N	3QH	6-cyano-4-[[(1r)-1-(4-methylphenyl)ethyl]amino]quinoline-3-carboxamide
Cc1ccnc(c1)N2C(=O)c3c(c(sc3N=C2S)C)C	3QI	5,6-dimethyl-3-(4-methyl-2-pyridinyl)-2-thioxo-2,3-dihydrothieno[2,3- d]pyrimidin-4(1h)-one
[B-](CCCCCC)(O)(O)O	3QJ	hexyl(trihydroxy)borate(1-)
[B-](CCCCCCCC)(O)(O)O	3QK	trihydroxy(octyl)borate(1-)
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H]2CO[C@@H]1O2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O	3QL	n-[(1r,2s,3r,4r,5r)-2-[(2s,3r,4r,5s,6r)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-6,8-dioxabicyclo[3.2.1]octan-4-yl]ethanamide
C[C@H](Cc1ccccc1)N=O	3QM	[(2r)-2-nitrosopropyl]benzene
Cc1ccc(c(c1O)/C=N/CCCC[C@@H](C(=O)O)N)COP(=O)(O)O	3QN	(e)-n~6~-{2-hydroxy-3-methyl-6-[(phosphonooxy)methyl]benzylidene}-l-lysine
c1ccc(cc1)Cc2ccncc2	3QO	4-benzylpyridine
Cc1ccc(c(c1O)/C=N/[C@@H](CC(=O)O)C(=O)O)COP(=O)(O)O	3QP	(e)-n-{2-hydroxy-3-methyl-6-[(phosphonooxy)methyl]benzylidene}-l-aspartic acid
CC(C)CN(Cc1ccc(cc1)F)S(=O)(=O)c2ccc(nc2)NC3CCN(CC3)S(=O)(=O)C	3QQ	n-(4-fluorobenzyl)-n-(2-methylpropyl)-6-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyridine-3-sulfonamide
c1cc2c(cc1n3cc(nn3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CO)O)O)O)S(=O)(=O)NC2=O	3QR	[1-(1,1-dioxido-3-oxo-2,3-dihydro-1,2-benzothiazol-6-yl)-1h-1,2,3-triazol-4-yl]methyl alpha-l-idopyranoside
COC1CCN(CC1)c2nccc(n2)Nc3cc4c(ccn4C5CCCC5)cn3	3QS	1-cyclopentyl-n-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1h-pyrrolo[3,2-c]pyridin-6-amine
Cn1cc(cn1)c2ccc3ncc(n3n2)Cc4ccc5c(c4)cccn5	3QT	6-{[6-(1-methyl-1h-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl}quinoline
c1cc(ccc1Cc2ccncc2)[N+](=O)[O-]	3QU	4-(4-nitrobenzyl)pyridine
c1cc2c(cc1O)OC(=O)C(=C2)C#N	3QV	7-hydroxy-2-oxo-2h-chromene-3-carbonitrile
CC(C)n1c2cc(ncc2cc1c3c[nH]nc3)Nc4ccnc(n4)N5CCC(CC5)OC	3QW	n-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-(propan-2-yl)-2-(1h-pyrazol-4-yl)-1h-pyrrolo[3,2-c]pyridin-6-amine
C[C@@]1(CCC[C@H]1Nc2c3cccn3ncc2C(=O)N)F	3QX	4-{[(1r,2s)-2-fluoro-2-methylcyclopentyl]amino}pyrrolo[1,2-b]pyridazine-3-carboxamide
COC1CCN(CC1)c2nccc(n2)Nc3cc4c(cc([nH]4)c5c[nH]nc5)cn3	3QY	n-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1h-pyrazol-4-yl)-1h-pyrrolo[3,2-c]pyridin-6-amine
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O	3QZ	(9beta)-17-hydroxypregn-4-ene-3,20-dione
COC1CCN(CC1)c2nccc(n2)Nc3cc4c(cn3)[nH]c(n4)c5c[nH]nc5	3R0	n-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1h-pyrazol-4-yl)-3h-imidazo[4,5-c]pyridin-6-amine
Cc1cc(nc(n1)N[C@@H](C)CO)Nc2cc(ccn2)NC(=O)c3c(cccc3Cl)Cl	3R1	2,6-dichloro-n-{2-[(2-{[(2s)-1-hydroxypropan-2-yl]amino}-6-methylpyrimidin-4-yl)amino]pyridin-4-yl}benzamide
C[C@H]1C[C@@H](C[C@H]([C@@H]1O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O	3R2	2'-deoxy-5'-o-[(r)-{[(r)-{[(1s,3r,4r,5s)-3,4-dihydroxy-5-methylcyclohexyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3,4-dihydrothymidine
C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(NP(=O)(O)O)O)O)O)OP(=O)(O)O	3R3	[[[(2r,3r,4s,5r)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid
c1cc2c(cc1F)sc(c2Cl)C(=O)O	3R4	3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid
COc1ccc(c(c1)C=O)OCc2cccnc2	3R5	5-methoxy-2-(pyridin-3-ylmethoxy)benzaldehyde
CSc1ccc(c(c1)C(=O)O)O	3R6	2-hydroxy-5-(methylsulfanyl)benzoic acid
C=Cc1ccc(c(c1)NS(=O)(=O)c2ccccc2)C(=O)O	3R7	4-ethenyl-2-[(phenylsulfonyl)amino]benzoic acid
C1[C@@H](N2[C@H](S1)CS[C@H]2CS)C(=O)O	3R9	(3s,5s,7ar)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid
c1ccc(cc1)NC2=NC(=O)C(=N2)Cc3ccc4c(c3)OCO4	3RA	5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4h-imidazol-4-one
C/C(=C\C(=O)O)/C=C/C=C(/C)\C=C\1/CCCCc2c1cccc2	3RB	(2e,4e,6z,8e)-3,7-dimethyl-8-(6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-ylidene)octa-2,4,6-trienoic acid
c1ccc(cc1)Cn2cc(nn2)c3c[nH]c4c3cccn4	3RC	3-(1-benzyl-1h-1,2,3-triazol-4-yl)-1h-pyrrolo[2,3-b]pyridine
Cc1c(c(c(c(n1)/N=N/c2ccc(cc2)C(=O)O)COP(=O)(O)O)C=O)O	3RD	4-[(e)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]benzoic acid
Cc1c2c(nc(n1)N)N(C(=O)C(=C2)c3cc[nH]n3)C4CCC(CC4)OC	3RE	2-amino-8-(trans-4-methoxycyclohexyl)-4-methyl-6-(1h-pyrazol-3-yl)pyrido[2,3-d]pyrimidin-7(8h)-one
c1ccc2c(c1)c(nc(n2)Nc3ccc(cc3)N)Nc4cc([nH]n4)C5CC5	3RF	n~2~-(4-aminophenyl)-n~4~-(5-cyclopropyl-1h-pyrazol-3-yl)quinazoline-2,4-diamine
c1ccc(c(c1)C(=O)O)NCC(=O)O	3RG	2-[(carboxymethyl)amino]benzoic acid
c1ccc(cc1)[C@@H]2Cc3cnc(nc3-c4c2cccc4)N	3RH	(6s)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine
C1[C@@H]([C@H]([C@@H]([C@H](CN1CCO)O)O)O)O	3RI	(3s,4r,5r,6s)-1-(2-hydroxyethyl)azepane-3,4,5,6-tetrol
c1ccc2c(c1)c(nc(n2)Nc3ccc4c(c3)[nH]cn4)Nc5cc([nH]n5)C6CCC6	3RJ	n~2~-(1h-benzimidazol-6-yl)-n~4~-(5-cyclobutyl-1h-pyrazol-3-yl)quinazoline-2,4-diamine
C1[C@@H]([C@H]([C@@H]([C@H](CN1)O)O)O)O	3RK	(3s,4r,5r,6s)-azepane-3,4,5,6-tetrol
COc1cc(cc(c1)OC)/C=C/c2ccc(cc2)O	3RL	pterostilbene
c1cc(ccc1OCCN2CCN(CC2)c3[nH]c(nn3)N)Br	3RM	5-{4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl}-4h-1,2,4-triazol-3-amine
C1CC(=O)C(=C1)CO	3RN	2-(hydroxymethyl)cyclopent-2-en-1-one
c1cc(cc(c1)Cl)CCC2=C(NC(=O)NC2=O)C(=O)O	3RO	5-[2-(3-chlorophenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Cc1cc(nc(n1)N)c2cc(c(cc2Cl)Cl)OC	3RP	4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine
Cc1nc(c2c(c[nH]c2n1)C#N)c3cc(c(cc3Cl)Cl)OC	3RQ	4-(2,4-dichloro-5-methoxyphenyl)-2-methyl-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Cc1c(c2c(nc(nc2[nH]1)C)c3cc(c(cc3Cl)Cl)OC)C#N	3RR	4-(2,4-dichloro-5-methoxyphenyl)-2,6-dimethyl-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Cc1ccccc1c2ccc3c(c2)cc(c(n3)N)C[C@@H](C)C(=O)N[C@@H]4CCOC(C4)(C)C	3RS	(2r)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-n-[(4r)-2,2-dimethyltetrahydro-2h-pyran-4-yl]-2-methylpropanamide
c1cc(n2c(c1)nc(n2)Nc3ccc4c(c3)[nH]nc4NC5CCOCC5)CC6CCOCC6	3RT	n~3~-(tetrahydro-2h-pyran-4-yl)-n~6~-[5-(tetrahydro-2h-pyran-4-ylmethyl)[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1h-indazole-3,6-diamine
c1ccc2c(c1)cc(c(n2)N)CCC(=O)NCC3CCCCC3	3RU	3-(2-aminoquinolin-3-yl)-n-(cyclohexylmethyl)propanamide
c1ccc2c(c1)cccc2/C=C\3/C(=O)N=C(S3)Nc4ccc(cc4C(=O)O)F	3RV	5-fluoro-2-{[(5z)-5-(naphthalen-1-ylmethylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]amino}benzoic acid
CC(C)n1cc(c2c1ncnc2N)C(=O)c3cncc(n3)NCCc4cccnc4	3RW	[4-amino-7-(propan-2-yl)-7h-pyrrolo[2,3-d]pyrimidin-5-yl](6-{[2-(pyridin-3-yl)ethyl]amino}pyrazin-2-yl)methanone
CC(=CCC/C(=C/CNCCNC1C2CC3CC(C2)CC1C3)/C)C	3RX	n-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-n'-[(1r,3s,5r,7r)-tricyclo[3.3.1.1~3,7~]dec-2-yl]ethane-1,2-diamine
c1ccc2c(c1)cccc2CC3=SC(=NC3=O)Nc4ccccc4C(=O)O	3RY	2-{[5-(naphthalen-1-ylmethyl)-4-oxo-4h-1lambda~4~,3-thiazol-2-yl]amino}benzoic acid
Cc1nc2c(cccc2C(=O)Nc3cc[nH]n3)c(n1)N	3RZ	4-amino-2-methyl-n-(1h-pyrazol-3-yl)quinazoline-8-carboxamide
CO/N=C(/c1ccco1)\C(=O)N[C@@H]([C@@H]2N=C([C@H](CS2)COC(=O)N)C(=O)O)C(=O)O	3S0	(2r,5s)-5-[(carbamoyloxy)methyl]-2-[(r)-carboxy{[(2z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}methyl]-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
c1ccc(c(c1)CO)c2ccc3c(c2)C=CNC3=O	3S1	6-[2-(hydroxymethyl)phenyl]isoquinolin-1(2h)-one
CNCCCCNC(=O)N1CC[C@H]([C@H]1C=O)NS(=O)(=O)O	3S2	[(2s,3r)-2-formyl-1-{[4-(methylamino)butyl]carbamoyl}pyrrolidin-3-yl]sulfamic acid
C[C@@H]1CS[C@@H](N=C1C(=O)O)[C@@H](C(=O)O)NC(=O)[C@@H](c2ccccc2)[NH3+]	3S3	(1r)-2-({(r)-carboxy[(2r,5s)-4-carboxy-5-methyl-5,6-dihydro-2h-1,3-thiazin-2-yl]methyl}amino)-2-oxo-1-phenylethanaminium
C[C@@](CCO)(CC(=O)O)OP(=O)(O)O	3S4	(3r)-5-hydroxy-3-methyl-3-(phosphonooxy)pentanoic acid
[H]/N=C(/N)\NCCS(=O)(=O)O	3S5	taurocyamine
C=CCO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O)O)O	3S6	prop-2-en-1-yl beta-d-galactofuranoside
c1ccc(cc1)COC(=O)NCC#N	3S9	benzyl (cyanomethyl)carbamate
C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)N[C@H]3C=C([C@H]([C@@H]([C@H]3O)O)O)CO	3SA	acarbose derived trisaccharide
Cc1cc(cc(c1/C=N/NC(=O)[C@H](c2ccccc2)N)O)O	3SB	(2s)-2-amino-n'-[(1e)-(2,4-dihydroxy-6-methylphenyl)methylidene]-2-phenylethanehydrazide
c1cc(c(c(c1)Cl)Cl)c2cc(n3c(n2)c(cn3)SC#N)NCc4ccncc4	3SC	5-(2,3-dichlorophenyl)-n-(pyridin-4-ylmethyl)-3-thiocyanatopyrazolo[1,5-a]pyrimidin-7-amine
Cc1ccc(cc1)CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NC(=O)c3cc(on3)C	3SD	n~4~-(2,2-dimethylpropyl)-n~1~-{(2s)-1-[(4-methylbenzyl)amino]-1-oxo-4-phenylbutan-2-yl}-n~2~-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-l-aspartamide
c1csc(n1)c2nc(on2)C3CCN(CC3)C(=O)CCC(F)(F)F	3SE	4,4,4-trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one
c1csc(n1)c2nc(on2)C3CCN(CC3)C(=O)CCCC(F)(F)F	3SF	5,5,5-trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}pentan-1-one
COC(=O)c1ccc(c(c1)NC(=O)c2cccc(c2)c3cc(ccc3CN)C(=O)Nc4ccncc4F)F	3SG	methyl 3-[({2'-(aminomethyl)-5'-[(3-fluoropyridin-4-yl)carbamoyl]biphenyl-3-yl}carbonyl)amino]-4-fluorobenzoate
CCOC(=O)c1c(nc(s1)Nc2ccc(c(c2)Cl)C)c3ccccc3	3SH	ethyl 2-[(3-chloro-4-methylphenyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
Cn1cc(c(n1)COc2ccc(cc2)c3ccc4ccccc4n3)C5=CN(C(=O)C=C5)C	3SJ	1-methyl-5-(1-methyl-3-{[4-(quinolin-2-yl)phenoxy]methyl}-1h-pyrazol-4-yl)pyridin-2(1h)-one
Cc1ccccc1C(=O)O	3SK	2-methylbenzoic acid
C([C@@H](C(=O)O)O)S(=O)(=O)O	3SL	(2r)-3-sulfolactic acid
CNc1c2c(c3cc([nH]c3n1)c4cccc(n4)CNC(=O)COC)n(cn2)C	3SM	2-methoxy-n-({6-[1-methyl-4-(methylamino)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-7-yl]pyridin-2-yl}methyl)acetamide
CC(=O)N1CCN(CC1)c2ccc(c(c2)F)CN(C3CCC3)S(=O)(=O)c4ccccc4	3SN	n-[4-(4-acetylpiperazin-1-yl)-2-fluorobenzyl]-n-cyclobutylbenzenesulfonamide
Cc1c(c(c(cn1)COP(=O)(O)O)/C=C/C(=O)Cc2c[nH]c3c2cccc3)O	3SO	{5-hydroxy-4-[(1e)-4-(1h-indol-3-yl)-3-oxobut-1-en-1-yl]-6-methylpyridin-3-yl}methyl dihydrogen phosphate
[H]/N=C(/c1ccc(s1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)NCC(=O)O)\N	3SP	n-(carboxymethyl)-3-cyclohexyl-d-alanyl-n-({5-[(e)-amino(imino)methyl]thien-2-yl}methyl)-l-prolinamide
c1cc(ccc1c2c[nH]cn2)F	3SQ	4-(4-fluorophenyl)-1h-imidazole
CC(C)CCn1c(nc2c1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)c4ccco4	3SR	8-{[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1h-purine-2,6-dione
C(CSS)C(=O)O	3SS	3-disulfanylpropanoic acid
CC(C)CCn1c(nc2c1C(=O)N(C(=O)N2C)C)CN3CCC(CC3)C(=O)N	3ST	1-{[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl]methyl}piperidine-4-carboxamide
c1cc2c(cc1Br)[nH]cc2/C=C(/C(=O)O)\S	3SU	(2z)-3-(6-bromo-1h-indol-3-yl)-2-sulfanylprop-2-enoic acid
CCC1=C(/C(=C/C(C)CCCC(C)CC(=O)O)/CCC1)CCC(C)C	3SV	(3s,7s,8e)-8-[3-ethyl-2-(3-methylbutyl)cyclohex-2-en-1-ylidene]-3,7-dimethyloctanoic acid
CC(C)CCC\1=C(CCC/C1=C\C(=C/C=C/C(=C/C(=O)O)/C)\C)C2CC2	3SW	(2e,4e,6z,8e)-8-[3-cyclopropyl-2-(3-methylbutyl)cyclohex-2-en-1-ylidene]-3,7-dimethylocta-2,4,6-trienoic acid
CC(C)CN(Cc1ccc(cc1)N2CCN(CC2)C(=O)C)S(=O)(=O)Cc3ccccc3	3SX	n-[4-(4-acetylpiperazin-1-yl)benzyl]-n-(2-methylpropyl)-1-phenylmethanesulfonamide
C(C(CO)(CO)CO)O	3SY	2,2-bis(hydroxymethyl)propane-1,3-diol
c1cc(cc(c1)S(=O)(=O)[N@]2CCC[N@](CC2)S(=O)(=O)c3ccc4c(c3)OCCO4)N	3SZ	3-{[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl}aniline
Cc1ccc(cc1)CN2C(=O)/C(=C/c3cc(ccc3OC)Br)/SC2=O	3T0	(5z)-5-(5-bromo-2-methoxybenzylidene)-3-(4-methylbenzyl)-1,3-thiazolidine-2,4-dione
COc1cc(cc(c1O)Cl)C2C3=C(CC(CC3=O)c4ccccc4)Nc5ccccc5N2	3T1	(3s,11s)-11-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1h-dibenzo[b,e][1,4]diazepin-1-one
CC(C)CCC\1=C(CCC/C1=C\C(=C/C=C/C(=C/C(=O)O)/C)\C)C(C)C	3T2	(2e,4e,6z,8e)-3,7-dimethyl-8-[2-(3-methylbutyl)-3-(propan-2-yl)cyclohex-2-en-1-ylidene]octa-2,4,6-trienoic acid
c1cc2c(cc1O)c3c4n2[Ru]56([N]7=C4C(=CC(=C7)F)C8=C3C(=O)NC8=O)([S]9CC[S]5CC[S]6CC9)[N]CS	3T3	[(amino-kappan)methanethiolato](3-fluoro-9-hydroxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6h,12h)-dionato-kappa~2~n,n')(1,4,7-trithionane-kappa~3~s~1~,s~4~,s~7~)ruthenium
c1cc(c(cc1CNC(=O)c2ccc(cc2OCC(=O)O)Cl)[N+](=O)[O-])C#N	3T4	{5-chloro-2-[(4-cyano-3-nitrobenzyl)carbamoyl]phenoxy}acetic acid
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COP(=O)(O)O)O)C)O)F)C	3T5	(11alpha,16alpha)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate
c1ccc(cc1)n2cc(nn2)CN(Cc3cn(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)c5nnc(s5)S(=O)(=O)N	3T7	2-({[1-(beta-d-glucopyranosyl)-1h-1,2,3-triazol-4-yl]methyl}[(1-phenyl-1h-1,2,3-triazol-4-yl)methyl]amino)-5-sulfamoyl-1,3,4-thiadiazole
CNC(=O)c1ccc-2c(c1)OCCc3c2sc(c3)C(=O)N(C)c4ccc(cc4Cl)C(=O)N5CCN(CC5)C	3T8	n~2~-{2-chloro-4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-n~2~,n~8~-dimethyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2,8-dicarboxamide
COc1cc(ccc1O)c2ccc3c([nH]nc3n2)c4ccccc4	3T9	2-methoxy-4-(3-phenyl-2h-pyrazolo[3,4-b]pyridin-6-yl)phenol
Cc1c(cc(cn1)CCCN(C)C)Nc2ncc3c(n2)-c4ccc(cc4NC(=S)C3)Cl	3TA	9-chloro-2-({5-[3-(dimethylamino)propyl]-2-methylpyridin-3-yl}amino)-5,7-dihydro-6h-pyrimido[5,4-d][1]benzazepine-6-thi one
[H]/N=C(\N)/NCCC[C@@H](C(=O)N)NC(=O)[C@@H]\1CCC/C1=C\[C@H](COP(=O)(O)O)NC(=O)[C@H](Cc2ccccc2)N	3TB	n-[(1e,2r)-1-[(2r)-2-{[(2s)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl}cyclopentylidene]-3-(phosphonooxy)propan-2-yl]-l-phenylalaninamide
C1[C@H](O[C@H](S1)CO)N2C=CC(=NC2=O)N	3TC	4-amino-1-[(2r,5s)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2(1h)-one
CN1C(=O)C(=CNC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	3TD	(1s)-1,4-anhydro-1-(3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-o-phosphono-d-ribitol
Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3cccc4c3cccc4)C	3TE	2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-n-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC(=O)CCCCCCCCC/C=C\CCCCCC	3TF	(2s)-1-(alpha-d-glucopyranosyloxy)-3-(hexadecanoyloxy)propan-2-yl (11z)-octadec-11-enoate
c1ccc(cc1)C(CC(=O)Cn2ccnc2)c3ccccc3	3TG	1-(1h-imidazol-1-yl)-4,4-diphenylbutan-2-one
c1ccc2c(c1)C[C@H](C(=O)N2)NC(=O)c3cc4cc(sc4[nH]3)Cl	3TH	2-chloro-n-[(3r)-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl]-6h-thieno[2,3-b]pyrrole-5-carboxamide
c1ccc2c(c1)ccc(c2/C=N/c3ccc(cc3)O)O	3TI	1-{(e)-[(4-hydroxyphenyl)imino]methyl}naphthalen-2-ol
CCN1CNS(=O)(=O)c2c1ccc(c2)F	3TJ	4-ethyl-7-fluoro-3,4-dihydro-2h-1,2,4-benzothiadiazine 1,1-dioxide
Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3ccccc3)C	3TK	n-(5-benzyl-1,3-thiazol-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide
C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)OCc3ccccc3)O)O)NC(=O)OCc4ccccc4	3TL	benzyl [(1s,4s,7s,8r,9r,10s,13s,16s)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate
CC1(CCC(c2c1cc(c(c2)OC)c3cc(ccc3O)\C=C\C(=O)O)(C)C)C	3TN	(2e)-3-[4-hydroxy-3-(3-methoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]acrylic acid
C[N@@](Cc1cccc(c1)CCc2cccnc2N)Cc3ccco3	3TO	3-[2-(3-{[(furan-2-ylmethyl)(methyl)amino]methyl}phenyl)ethyl]pyridin-2-amine
C[C@H](c1nc(no1)c2ccc(cc2)S(=O)(=O)C)[C@@H](C(=O)N3CCCC3)N	3TP	(2s,3s)-3-{3-[4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-oxo-1-pyrrolidin-1-ylbutan-2-amine
CC(C)CN1CCC(CC1)S(=O)c2ccc(cc2)CNC(=O)c3cc4ccncc4o3	3TQ	n-(4-{(s)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide
c1[nH]nc(n1)N	3TR	3-amino-1,2,4-triazole
c1cc(ccc1CO[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)N)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)CN)O)O)N)O)O)N)N)CO)Cl	3TS	(2s,3s,4r,5r,6r)-2-(aminomethyl)-5-azanyl-6-[(2r,3s,4r,5s)-5-[(1r,2r,3s,5r,6s)-3,5-bis(azanyl)-2-[(2s,3r,4r,5s,6r)-3-azanyl-5-[(4-chlorophenyl)methoxy]-6-(hydroxymethyl)-4-oxidanyl-oxan-2-yl]oxy-6-oxidanyl-cyclohexyl]oxy-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-oxane-3,4-diol
C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)N2C=CC(=NC2=O)N	3TT	[[[[(2r,5s)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid
c1cc(c2c(c1)sc3c2C(=O)NC(=N3)N)CNc4ccc5c(c4)CN(C5=O)[C@@H](CCC(=O)O)C(=O)O	3TU	(2s)-2-(5-{[(2-amino-4-oxo-3,4-dihydro[1]benzothieno[2,3-d]pyrimidin-5-yl)methyl]amino}-1-oxo-1,3-dihydro-2h-isoindol-2-yl)pentanedioic acid
CCCSc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F	3TV	2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide
COCCOc1ccc2c(c1)ccc(n2)c3cn(nn3)c4ccc(cc4)O	3TW	4-{4-[6-(2-methoxyethoxy)quinolin-2-yl]-1h-1,2,3-triazol-1-yl}phenol
c1ccc2c(c1)ccc(n2)c3cn(nn3)c4ccc(cc4)O	3TX	4-[4-(quinolin-2-yl)-1h-1,2,3-triazol-1-yl]phenol
c1ccc(cc1)CN/N=C/2\C=C(C(=O)C=C2O)C[C@@H](C(=O)O)N	3TY	3-[(3e)-3-(benzylhydrazono)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-l-alanine
c1cc(c2c(c1)sc3c2C(=O)NC(=N3)N)CNc4ccc(cc4)C(=O)N[C@@H](CCC(=O)O)C(=O)O	3TZ	n-[(4-{[(2-amino-4-oxo-3,4-dihydro[1]benzothieno[2,3-d]pyrimidin-5-yl)methyl]amino}phenyl)carbonyl]-l-glutamic acid
[H]/N=C(\N)/NCc1ccc(cc1)CC(=O)O	3U0	2-[4-(carbamimidamidomethyl)phenyl]ethanoic acid
c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)O[C@H]5CNCCC56CC6)F	3U1	3-{6-[(4r)-6-azaspiro[2.5]oct-4-yloxy]pyrazin-2-yl}-5-(2,6-difluorophenyl)-1h-indazole
C[C@@H]1[C@H](C[C@H]([C@@H]([C@@H]1O)O)O)NC(=O)c2ccccc2	3U2	n-[(1s,2r,3r,4s,5r)-3,4,5-trihydroxy-2-methylcyclohexyl]benzamide
C[C@@H]1[C@H](C[C@H]([C@@H]([C@@H]1O)O)O)NC(=O)C	3U3	n-[(1s,2r,3r,4s,5r)-3,4,5-trihydroxy-2-methylcyclohexyl]acetamide
c1ccc(c(c1)C(=O)O)F	3U4	2-fluorobenzoic acid
c1ccc2c(c1)cc(cn2)c3c4cc(ccc4n[nH]3)c5cnc(s5)N	3U5	5-[3-(quinolin-3-yl)-2h-indazol-5-yl]-1,3-thiazol-2-amine
c1cc(nc(c1)NC2CCCC2)c3c[nH]c4c3cc(cc4)c5nnc(s5)N	3U6	6-[5-(5-amino-1,3,4-thiadiazol-2-yl)-1h-indol-3-yl]-n-cyclopentylpyridin-2-amine
c1cc(c(c(c1C(=O)CCc2[nH]ccn2)Cl)Cl)OCCCC(=O)O	3U7	4-{2,3-dichloro-4-[3-(1h-imidazol-2-yl)propanoyl]phenoxy}butanoic acid
c1cc(c(cc1C(=O)CCc2[nH]ccn2)Cl)OCCCC(=O)O	3U8	4-{2-chloro-4-[3-(1h-imidazol-2-yl)propanoyl]phenoxy}butanoic acid
C[C@H](c1cc(ccc1OC)F)Oc2cc(cnc2N)c3cnnn3C	3U9	3-[(1r)-1-(5-fluoro-2-methoxyphenyl)ethoxy]-5-(1-methyl-1h-1,2,3-triazol-5-yl)pyridin-2-amine
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3C(C([C@@H](O3)[C@@H](CO)O)(F)F)(F)F)O)O	3UA	(2r,5s)-5-[(1r)-1,2-dihydroxyethyl]-3,3,4,4-tetrafluorotetrahydrofuran-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
C[C@H](NC(=O)OCc1ccccc1)[P@](=O)(O)OC(C)C	3UB	propan-2-yl hydrogen (s)-[(1r)-1-{[(benzyloxy)carbonyl]amino}ethyl]phosphonate
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3C(C([C@H]([C@H](O3)CO)O)(F)F)(F)F)O)O	3UC	[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,5s,6r)-3,3,4,4-tetrafluoro-5-hydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl dihydrogen diphosphate (non-preferred name)
C[C@@]1(C[C@@H]([C@H](N(C1=O)[C@H](CS(=O)(=O)C(C)(C)C)C2CC2)c3ccc(c(c3)F)Cl)c4cccc(c4)Cl)CC(=O)Nc5ccc(c(c5)OC)C(=O)O	3UD	4-({[(3r,5r,6s)-1-[(1s)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetyl}amino)-2-methoxybenzoic acid
Cc1cc(ccc1[N+](=O)[O-])C(=O)N2CCN(CC2)C(c3ccccc3)c4ccccc4	3UE	[4-(diphenylmethyl)piperazin-1-yl](3-methyl-4-nitrophenyl)methanone
c1cc(ccc1SCCO)S(=O)(=O)N	3UF	4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide
C1CCN(CC1)c2c(c(c(c(c2F)F)S(=O)(=O)N)F)F	3UG	2,3,5,6-tetrafluoro-4-(piperidin-1-yl)benzenesulfonamide
c1ccc(cc1)c2ccc(c(c2)C(=O)NCc3cccc(c3)[N+](=O)[O-])OCC(=O)O	3UH	({3-[(3-nitrobenzyl)carbamoyl]biphenyl-4-yl}oxy)acetic acid
CCS(=O)(=O)c1ccc(cc1CNC(=O)c2cc(cc(c2)OC(F)(F)F)N3CCNCC3)Cl	3UI	n-[(5-chloranyl-2-ethylsulfonyl-phenyl)methyl]-3-piperazin-1-yl-5-(trifluoromethyloxy)benzamide
Cc1cn(c2c1cccc2)CCN3CCN(CC3)c4ccccc4c5cc(cc(c5)C(=O)NCCCN6CCCC6)C#N	3UJ	5-cyano-2'-{4-[2-(3-methyl-1h-indol-1-yl)ethyl]piperazin-1-yl}-n-[3-(pyrrolidin-1-yl)propyl]biphenyl-3-carboxamide
c1ccc(c(c1)C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N	3UK	5'-o-[(s)-[(2-aminobenzoyl)oxy](hydroxy)phosphoryl]adenosine
c1cc(c(cc1C(F)(F)F)NC(=O)c2ccncc2)N3CCCCC3	3UL	n-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]-4-pyridinecarboxamide
C[C@@H]1[C@@H]2C[C@H]([C@@]3([C@@]([C@H]2CC=C1C=C)(CCC[C@]3(C)C(=O)O)C)O)O	3UM	(5beta,6alpha,8alpha,14alpha)-13-ethenyl-5,6-dihydroxy-14-methylpodocarp-12-en-15-oic acid
CCOC(=O)C(CCNC(=O)OC(C)(C)C)(Cc1ccc(cc1)NS(=O)(=O)O)C(=O)OCC	3UN	(4-{4-[(tert-butoxycarbonyl)amino]-2,2-bis(ethoxycarbonyl)butyl}phenyl)sulfamic acid
COc1ccncc1NC(=O)c2ccnc(c2)NC(=O)C3CC3	3UO	2-[(cyclopropylcarbonyl)amino]-n-(4-methoxypyridin-3-yl)pyridine-4-carboxamide
c1ccc(cc1)c2ccncc2NC(=O)c3ccnc(c3)NC(=O)C4CC4	3UP	2-[(cyclopropylcarbonyl)amino]-n-(4-phenylpyridin-3-yl)pyridine-4-carboxamide
C1=CC23=C4([Ru+]2567892%10([CH]3=[CH]5[CH]6=[CH]74)[CH]3=[CH]8C9[CH]2=[CH]%103)C=C1	3UQ	[(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,4a,8a-eta)-naphthalene]ruthenium(1+)
c1cc(c(c(c1)F)c2ccc3c(c2)c([nH]n3)c4cncc(n4)N5CCC[C@@H](C5)N)F	3UR	(3s)-1-{6-[5-(2,6-difluorophenyl)-2h-indazol-3-yl]pyrazin-2-yl}piperidin-3-amine
CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4NCCCCNC(=O)C)O)O	3US	n-[4-(acetylamino)butyl]-5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5'-deoxyadenosine
c1cc(c(nc1)F)c2ccc3c(c2)[C@@]4(COC(=N4)N)c5cc(nc(c5O3)F)C6=CCCOC6	3UT	(5s)-3-(5,6-dihydro-2h-pyran-3-yl)-1-fluoro-7-(2-fluoropyridin-3-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine
CN1C(=O)[C@@]2(c3cc(ccc3O[C@@H]4[C@@H]2OCCC4)c5cccnc5F)N=C1N	3UW	(4s,4a's,10a'r)-2-amino-8'-(2-fluoropyridin-3-yl)-1-methyl-3',4',4a',10a'-tetrahydro-2'h-spiro[imidazole-4,10'-pyrano[3,2-b]chromen]-5(1h)-one
C[C@@]12CCCO[C@H]1[C@@]3(c4cc(ccc4O2)c5cccnc5F)C(=O)N(C(=N3)N)C	3UX	(4s,4a'r,10a's)-2-amino-8'-(2-fluoropyridin-3-yl)-1,4a'-dimethyl-3',4',4a',10a'-tetrahydro-2'h-spiro[imidazole-4,10'-pyrano[3,2-b]chromen]-5(1h)-one
C[C@@]12CCCO[C@H]1[C@]3(COC(=N3)N)c4cc(ccc4O2)c5cccnc5F	3UY	(4r,4a'r,10a's)-8'-(2-fluoropyridin-3-yl)-4a'-methyl-3',4',4a',10a'-tetrahydro-2'h-spiro[1,3-oxazole-4,10'-pyrano[3,2-b]chromen]-2-amine
COc1cc(ccc1OCC#C)CCNC(=O)[C@H](c2ccc(cc2)Cl)OCC#C	3UZ	(2s)-2-(4-chlorophenyl)-n-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-yn-1-yloxy)ethanamide
c1cc(c(cc1I)F)Nc2c3cnccc3oc2C(=O)NOC[C@@H](CO)O	3V0	n-{[(2r)-2,3-dihydroxypropyl]oxy}-3-[(2-fluoro-4-iodophenyl)amino]furo[3,2-c]pyridine-2-carboxamide
Cc1c(sc(n1)Cl)C(=O)Nc2cccc(c2)Oc3ccc(cc3)NC(=O)/C(=C(/C4CC4)\O)/C#N	3V1	2-chloro-n-[3-(4-{[(2z)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enoyl]amino}phenoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CC[C@H](N)P(=O)(O)O	3V2	[(1r)-1-aminopropyl]phosphonic acid
C(COCCOCCOCCOCCN)C(=O)O	3V3	1-amino-3,6,9,12-tetraoxapentadecan-15-oic acid
CC1=CC[C@H]2[C@@H](C1)C2(C)C	3V4	(+)-3-carene
CC(=O)[C@H](C=O)[C@@H]1C[C@@H]([C@H](N1)C(=O)O)SCNCN	3V5	(3s,5s)-3-({[(aminomethyl)amino]methyl}sulfanyl)-5-[(2s)-1,3-dioxobutan-2-yl]-l-proline
C[C@@H]1CC(=C2[C@@H]([C@H]1O)[C@H]([C@@](OC2=O)(C)C(Cl)Cl)NC(=O)[C@H](C)N)O	3V6	bactobolin a
c1c(nnn1CCCO)CO	3V7	3-[4-(hydroxymethyl)-1h-1,2,3-triazol-1-yl]propan-1-ol
c1c(nnn1[C@H]2C[C@H](NC2)C(=O)O)CCC(=O)O	3V8	(4s)-4-[4-(2-carboxyethyl)-1h-1,2,3-triazol-1-yl]-l-proline
CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCc1ccc2c(c1)OCO2)O	3V9	n-(1,3-benzodioxol-5-ylmethyl)-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
C([C@H]([C@@H](CO)O)O)O	3VB	d-threitol
CC(c1cc2ccc(cc2nc1c3ccccn3)F)Nc4c5c([nH]cn5)ncn4	3VC	n-{(1s)-1-[7-fluoro-2-(pyridin-2-yl)quinolin-3-yl]ethyl}-9h-purin-6-amine
C[C@@H](c1cc2cccc(c2nc1c3cccc(c3)F)Cl)Nc4c5c([nH]cn5)ncn4	3VD	n-{(1s)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9h-purin-6-amine
Cc1c(cccn1)c2c(cc3cccc(c3n2)Cl)[C@H](C)Nc4c5c([nH]cn5)ncn4	3VE	n-{(1s)-1-[8-chloro-2-(2-methylpyridin-3-yl)quinolin-3-yl]ethyl}-9h-purin-6-amine
CC(C)(c1cc(cc(c1)Cl)Cl)C(=O)c2cc(ccc2OC)C(=O)NCc3ccnc(n3)C#N	3VF	n-[(2-cyanopyrimidin-4-yl)methyl]-3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-4-methoxybenzamide
CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CCC[C@]23C=C[C@@H]4CC[C@H](N4C3=O)C(=O)N5CC[C@H]6[C@H]5C(=O)N7[C@@H](C=C6)C=C[C@H]7C(=O)O	3VH	 (3ar,5as,8s,10as)-1-[(3s,6r,8as)-1'-[(2s)-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8a-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-10-oxidanylidene-2,3,3a,5a,8,10a-hexahydrodipyrrolo[3,2-b:3',1'-f]azepine-8-carboxylic acid
c1c(cc[n+](c1)C[n+]2ccc(cc2)/C=N/O)/C=N/O	3VI	1,1'-methylenebis{4-[(e)-(hydroxyimino)methyl]pyridin-1-ium}
[H]/N=C\CNC(=O)CNC(=O)c1ccc(c(c1)C(=O)C(C)(C)c2cc(cc(c2)Cl)Cl)OC	3VJ	3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-n-(2-{[(2z)-2-iminoethyl]amino}-2-oxoethyl)-4-methoxybenzamide
CCN[C@@H](c1cc(cc(c1)Cl)Cl)C(=O)N[C@H](C(=O)NCC(=O)NCCCS(=O)(=O)C)C(C)(C)C	3VK	n-[(2s)-2-(3,5-dichlorophenyl)-2-(ethylamino)acetyl]-3-methyl-l-valyl-n-[3-(methylsulfonyl)propyl]glycinamide
CC[C@]1(C[C@@H](c2c(cc3c(c2O)C(=O)c4c(cccc4O)C3=O)[C@H]1C(=O)OC)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N(C)C)O	3VL	methyl (1r,2r,4s)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)-alpha-l-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
c1ccc(cc1)C[C@@H](c2cc(ccn2)c3ccc4c(c3)n[nH]c4N)NC(=O)C5CCC(CC5)CN	3VM	trans-n-{(1s)-1-[4-(3-amino-2h-indazol-6-yl)pyridin-2-yl]-2-phenylethyl}-4-(aminomethyl)cyclohexanecarboxamide
C(CCN)C[C@@](CC[C@](CCCCN)(C(=O)O)N)(C(=O)O)N	3VN	(2r,5r)-2,5-diamino-2,5-bis(4-aminobutyl)hexanedioic acid
c1cc(c(cc1F)F)[C@]23COCC[C@H]2CSC(=N3)N	3VO	(4ar,8as)-8a-(2,4-difluorophenyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine
c1cc(c(cc1F)F)[C@]23CO[C@H](C[C@H]2CSC(=N3)N)CF	3VP	(4ar,6r,8as)-8a-(2,4-difluorophenyl)-6-(fluoromethyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine
c1ccnc(c1)c2ccc(s2)C(=O)N	3VQ	5-(pyridin-2-yl)thiophene-2-carboxamide
CNCc1ccc(cc1)Cn2cccn2	3VR	n-methyl-1-[4-(1h-pyrazol-1-ylmethyl)phenyl]methanamine
c1cc(ccc1C(=O)N)n2ccnc2	3VS	4-(1h-imidazol-1-yl)benzamide
B1(c2cc(c(c(c2[C@H](O1)CC(=O)O)C)C)Oc3cnccn3)O	3VT	[(3r)-1-hydroxy-4,5-dimethyl-6-(pyrazin-2-yloxy)-1,3-dihydro-2,1-benzoxaborol-3-yl]acetic acid
B1(c2cc(c(c(c2[C@H](O1)CC(=O)O)C)C)Oc3nc(ns3)N)O	3VU	{(3r)-6-[(3-amino-1,2,4-thiadiazol-5-yl)oxy]-1-hydroxy-4,5-dimethyl-1,3-dihydro-2,1-benzoxaborol-3-yl}acetic acid
CCCCCCCC/C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	3VV	s-{(3r,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9z)-octadec-9-enethioate (non-preferred name)
c1ccc(cc1)C(=O)C2CCNCC2	3VW	phenyl(piperidin-4-yl)methanone
CC(=O)Nc1ccc2c(c1)C=CC2=O	3VX	n-(1-oxo-1h-inden-5-yl)acetamide
Cn1cc(c2c1cccc2)CC(=O)O	3VY	(1-methyl-1h-indol-3-yl)acetic acid
CC(C)c1ccc(cc1)Cn2cc(c3c2cc(cc3)c4cc(cc(c4)N)N)CC(=O)O	3VZ	{6-(3,5-diaminophenyl)-1-[4-(propan-2-yl)benzyl]-1h-indol-3-yl}acetic acid
c1cc(ccc1CN)Cn2cc(cn2)Cl	3W1	1-{4-[(4-chloro-1h-pyrazol-1-yl)methyl]phenyl}methanamine
CC(C)(C)n1cc2c(n1)C(=O)CC3(O2)CCN(CC3)C(=O)c4ccc5c(c4)c[nH]n5	3W2	2'-tert-butyl-1-(2h-indazol-5-ylcarbonyl)-2'h-spiro[piperidine-4,5'-pyrano[3,2-c]pyrazol]-7'(6'h)-one
C=CCOc1ccc(cc1)S(=O)(=O)N	3W3	4-(allyloxy)benzenesulfonamide
c1cc(ccc1C#C[C@@]2(CN3CCC2CC3)O)Oc4ccc(cc4)C(=O)N[C@@H]5CCCS(=O)(=O)C5	3W4	n-[(3r)-1,1-dioxidotetrahydro-2h-thiopyran-3-yl]-4-(4-{[(3s)-3-hydroxy-1-azabicyclo[2.2.2]oct-3-yl]ethynyl}phenoxy)benzamide
c1cc(ccc1C#C[C@@]2(CN3CCC2CC3)O)Oc4ccc(cc4)C(=O)N[C@H]5CCCS(=O)(=O)C5	3W5	n-[(3s)-1,1-dioxidotetrahydro-2h-thiopyran-3-yl]-4-(4-{[(3s)-3-hydroxy-1-azabicyclo[2.2.2]oct-3-yl]ethynyl}phenoxy)benzamide
CCCOc1ccc(cc1)S(=O)(=O)N	3W6	4-propoxybenzenesulfonamide
CC(C)n1c2c(cn1)CC3(CCN(CC3)C(=O)c4ccc5c(c4)c[nH]n5)CC2=O	3W7	1'-(2h-indazol-5-ylcarbonyl)-1-(propan-2-yl)-1,4-dihydrospiro[indazole-5,4'-piperidin]-7(6h)-one
CCOc1ccc(cc1)S(=O)(=O)N	3W8	4-ethoxybenzenesulfonamide
CCN(CC)c1ccc(cc1)C=O	3W9	4-(diethylamino)benzaldehyde
c1nc(c2c(n1)NC=CC2=O)N	3WA	4-aminopyrido[2,3-d]pyrimidin-5(8h)-one
Cc1cc(c2c(c1)nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]78([N]5=CC=C4)([N]9=CC=Nc1c9c2c(cc1)N=CC=[N]72)[N]1=CC=Nc2c1c1c(cc2)N=CC=[N]81)C	3WB	(10,12-dimethyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~n~4~,n~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~n~1~,n~10~)]ruthenium
Cc1cc(nc2c1cccc2)N3CCNCC3	3WC	4-methyl-2-(piperazin-1-yl) quinoline
CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](Cc2ccccc2)c3nccs3)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)C(C)(C)N	3WD	2-methyl-l-alanyl-n-[(3r,4s,5s)-3-methoxy-1-{(2s)-2-[(1r,2r)-1-methoxy-2-methyl-3-oxo-3-{[(1s)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino}propyl]pyrrolidin-1-yl}-5-methyl-1-oxoheptan-4-yl]-n-methyl-l-valinamide
[H]/N=C/1\N[C@@H]2[C@@]3(N1)CCCN3C(=O)c4n2c5ccccc5c4Br	3WE	(2e,3ar,14as)-9-bromo-2-imino-1,2,3,5,6,14a-hexahydro-4h,8h-imidazo[4',5':5,6]pyrrolo[1',2':4,5]pyrazino[1,2-a]indol-8-one
C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(C#C)O)O	3WF	ethinyl estradiol
[C@@H]12[C@@H]([C@H](C([C@H]1Cl)Cl)Cl)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl	3WG	trans-nonachlor
CCNC(=O)N1CCC(CC1)Nc2ncc(c(n2)c3c[nH]c4c3cccc4)I	3WH	n-ethyl-4-{[4-(1h-indol-3-yl)-5-iodopyrimidin-2-yl]amino}piperidine-1-carboxamide
c1cc(ccc1N)N2C=CC(=O)c3c2ncnc3N	3WJ	4-amino-8-(4-aminophenyl)pyrido[2,3-d]pyrimidin-5(8h)-one
c1cc(ccc1N)Nc2c3c(ncn2)N=CCC3=O	3WK	4-[(4-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(6h)-one
c1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)O)O2	3WL	5,6,7-trihydroxy-2-phenyl-4h-chromen-4-one
CCCCCCCCC/C=C\CCCCCC[C@H](O)OC[C@H](CO)O[C@@H](CCCCCC/C=C/CCCCCCCCC)O	3WM	(1s,8e,1'r,8'z)-1,1'-{[(2s)-3-hydroxypropane-1,2-diyl]bis(oxy)}bisoctadec-8-en-1-ol
c1cc(cc(c1)Nc2c3c(ncn2)NC=CC3=O)N	3WN	4-[(3-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(8h)-one
c1cc(cc(c1)Nc2c3c(ncn2)N=CCC3=O)N	3WO	4-[(3-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(6h)-one
C[C@]1(CCSC(=N1)N)c2ccc(cc2F)F	3WP	(4s)-4-(2,4-difluorophenyl)-4-methyl-5,6-dihydro-4h-1,3-thiazin-2-amine
CCCOc1ccn2c(c1)c(cc2C(=O)C)c3ccccc3S(=O)(=O)C	3WQ	1-{1-[2-(methylsulfonyl)phenyl]-7-propoxyindolizin-3-yl}ethanone
c1cc(ccc1NC(=O)Nc2cc(ccc2F)C(F)(F)F)N3C=CC(=O)c4c3ncnc4N	3WR	1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8(5h)-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CC(C)(C(=O)O)NC	3WS	n,2-dimethyl-l-alanine
CC[C@H](C)[C@@H]([C@@H](CC(=O)O)OC)NC	3WT	(3r,4s,5s)-3-methoxy-5-methyl-4-(methylamino)heptanoic acid
C[C@H]([C@H]([C@@H]1CCCN1)OC)C(=O)O	3WU	(2r,3r)-3-methoxy-2-methyl-3-[(2s)-pyrrolidin-2-yl]propanoic acid
CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)C(C)(C)NC	3WV	n,2-dimethyl-l-alanyl-n-[(3r,4s,5s)-1-{(2s)-2-[(1r,2r)-3-{[(1s)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-n-methyl-l-valinamide
c1ccc(cc1)C[C@@H](c2nccs2)N	3WW	(1s)-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine
C[C@]1(CCCN1)C(=O)O	3WX	2-methyl-l-proline
CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@@]3(CCCN3)C	3WY	2-methyl-l-prolyl-n-[(3r,4s,5s)-1-{(2s)-2-[(1r,2r)-3-{[(1s)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-n-methyl-l-valinamide
CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)C(C)(C)N	3WZ	2-methyl-l-alanyl-n-[(3r,4s,5s)-1-{(2s)-2-[(1r,2r)-3-{[(1s)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-n-methyl-l-valinamide
Cc1nnc2n1-c3ccccc3N(C[C@H]2C)c4ccc(cc4)Cl	3X0	(4r)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4h-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
CCCCCCCCC/C=C/C(=O)O	3X1	(2e)-dodec-2-enoic acid
c1ccc(c(c1)/C=N/Nc2nc(cs2)c3ccccc3Cl)C(=O)O	3X2	2-[(e)-{2-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene}methyl]benzoic acid
c1ccc(cc1)n2nc(nn2)c3ccccc3OCc4ccco4	3X3	5-[2-(furan-2-ylmethoxy)phenyl]-2-phenyltetrazole
CC(C)(C(=O)NCCCC[C@H](C(=O)O)N)NC(=O)CN1C(=O)c2ccccc2C1=O	3X4	n~6~-{n-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)acetyl]-2-methyl-d-alanyl}-d-lysine
c1ccc(cc1)c2ccc(cc2)C(=O)N3C[C@@H]4CCCC[C@H]4C[C@@H]3CN[C@@H](Cc5cnc[nH]5)C=O	3X5	(2s)-2-({[(3r,4as,8ar)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1h-imidazol-5-yl)propanal
c1ccc(c(c1)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)Cl)/C=C/C#N	3X6	(2e)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile
c1cc(ccc1CN2CCCCC2)c3cc4c5cc(ncc5[nH]c4nc3)C#N	3X7	3-[4-(piperidin-1-ylmethyl)phenyl]-9h-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile
c1ccc(cc1)c2ccc(cc2)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	3X8	biphenyl-4-yl alpha-d-mannopyranoside
CC1(C=C(C(N1O)(C)C)CSSC[C@@H](C(=O)O)N)C	3X9	3-{[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1h-pyrrol-3-yl)methyl]disulfanyl}-l-alanine
Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCC(c3cccc(c3)F)(F)F	3XA	6-{[(3s,4s)-4-(2-{[2,2-difluoro-2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3cccc(c3)F)(F)F	3XB	6-{[(3r,4r)-4-(2-{[2,2-difluoro-2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3ccc(cc3)F)(F)F	3XC	6-{[(3r,4r)-4-(2-{[2,2-difluoro-2-(4-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3ccccc3)(F)F	3XD	6-{[(3r,4r)-4-{2-[(2,2-difluoro-2-phenylethyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
C[C@H]1C[C@H](N=C(C1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3ccccc3)(F)F	3XE	(4s,6s)-6-{[(3r,4r)-4-{2-[(2,2-difluoro-2-phenylethyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methyl-3,4,5,6-tetrahydropyridin-2-amine
Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCC([C@H]3CCCCN3)(F)F	3XF	6-({(3s,4s)-4-[2-({2,2-difluoro-2-[(2r)-piperidin-2-yl]ethyl}amino)ethoxy]pyrrolidin-3-yl}methyl)-4-methylpyridin-2-amine
CCOC(=O)CSC1=Nc2c3ccccc3sc2C(=O)N1CCCN4CCCC4	3XG	ethyl ({4-oxo-3-[3-(pyrrolidin-1-yl)propyl]-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetate
c1cc(cc(c1)O)C(=O)NCC(=O)O	3XH	3-hydroxyhippuric acid
CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)[C@H](C(C)C)NC(=O)C2CCCCC2	3XI	n-[(2s)-3-methyl-1-[[(2s)-4-methyl-1-oxidanylidene-1-[[(2s)-1-oxidanylidene-3-[(3s)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]cyclohexanecarboxamide
c1cc(ccc1C(=O)Nc2ccc(c(c2)Cl)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O	3XJ	4-{[3-chloro-4-(alpha-d-mannopyranosyloxy)phenyl]carbamoyl}benzoic acid
CC(=O)Nc1cccc(c1)c2cc3c4cc(ncc4[nH]c3nc2)C#N	3XK	n-[3-(6-cyano-9h-pyrrolo[2,3-b:5,4-c']dipyridin-3-yl)phenyl]acetamide
c1ccc(c(c1)c2cc3c4cc(ncc4[nH]c3nc2)C#N)O	3XL	3-(2-hydroxyphenyl)-9h-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile
CCCCCC(=O)C1=C(C(=CNC1=O)c2ccc(cc2)O)O	3XM	3-hexanoyl-4-hydroxy-5-(4-hydroxyphenyl)pyridin-2(1h)-one
c1cc(ccc1n2ccc3c2ccc(c3)[N+](=O)[O-])O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	3XN	4-(5-nitro-1h-indol-1-yl)phenyl alpha-d-mannopyranoside
CN1CCN(CC1)C2=C(C(=O)C2=O)Nc3ccc(c(c3)Cl)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	3XO	2-chloro-4-{[2-(4-methylpiperazin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}phenyl alpha-d-mannopyranoside
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)O	3XQ	(2s)-2,3-dihydroxypropyl octadecanoate
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](C[NH2+]1)C(=O)O)O)O	3XR	(2s,3r,4s,5s)-2-(acetylamino)-5-carboxy-3,4-dihydroxypiperidinium
COc1cccc(c1)c2csc(n2)N/N=C/c3ccccc3C(=O)O	3XS	2-[(e)-{2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene}methyl]benzoic acid
[H]/N=C\CNC(=O)C1(CCCCC1)NC(=O)c2ccc(c(c2)F)N	3XT	4-amino-3-fluoro-n-(1-{[(2z)-2-iminoethyl]carbamoyl}cyclohexyl)benzamide
CCCCCCCCCCCCC/C=C\[C@@H]([C@H](COP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O	3XU	(4s,7s,23z)-4-hydroxy-7-[(1s,2z)-1-hydroxyhexadec-2-en-1-yl]-n,n,n-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphadotriacont- 23-en-1-aminium 4-oxide
c1ccc2c(c1)CCN(C2)C[C@H](CNC(=O)c3cc(ncn3)NC4COC4)O	3XV	n-[(2s)-3-(3,4-dihydroisoquinolin-2(1h)-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide
Cc1c(ccc2c1cc(n2Cc3c[nH]nc3)C#N)CN4CCC(CC4)Nc5c6cc(sc6ncn5)CC(F)(F)F	3XW	4-methyl-1-(1h-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile
C/C=C/1\C(=O)C(=C(O1)C)O	3XX	(2e)-2-ethylidene-4-hydroxy-5-methylfuran-3(2h)-one
c1cc2c(cc1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)cc([nH]2)C#N	3XY	5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile
c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OC[C@@H]4[C@H](C[C@@H](O4)n5cnc6c5ncnc6N)O)O)N	3XZ	bis{[(2r,3s,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl]methyl} hydrogen phosphate
CCCCCCCCCCCCCO[C@@H]1[C@@H]([C@H](O[C@@H]1S)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O	3Y0	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3r,4r,5r)-3-oxidanyl-5-sulfanyl-4-tridecoxy-oxolan-2-yl]methyl hydrogen phosphate
c1cc(c(cc1Br)N)C(=O)NC2(CCCCC2)C(=O)NCC#N	3Y1	2-amino-4-bromo-n-{1-[(cyanomethyl)carbamoyl]cyclohexyl}benzamide
[H]/N=C/CNC(=O)C1(CCCCC1)NC(=O)c2ccc(cc2N)Cl	3Y2	2-amino-4-chloro-n-(1-{[(2e)-2-iminoethyl]carbamoyl}cyclohexyl)benzamide
c1ccc(cc1)C[C@@H](c2[nH]c(c(n2)c3ccc4c(c3)[nH]nc4N)Cl)NC(=O)NCc5cc(ccc5CN)Cl	3Y3	1-{(1s)-1-[4-(3-amino-1h-indazol-6-yl)-5-chloro-1h-imidazol-2-yl]-2-phenylethyl}-3-[2-(aminomethyl)-5-chlorobenzyl]urea
COC(=O)Nc1ccc(cc1)c2c(nc([nH]2)[C@H](Cc3ccccc3)NC(=O)CCc4cc(ccc4n5cnnn5)Cl)Cl	3Y4	methyl (4-{4-chloro-2-[(1s)-1-({3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]propanoyl}amino)-2-phenylethyl]-1h-imidazol-5-yl}phenyl)carbamate
c1ccc(cc1)C[C@@H](c2[nH]c(c(n2)c3ccc4c(c3)[nH]nc4N)Cl)NC(=O)NCc5cc(ccc5n6cnnn6)Cl	3Y5	1-{(1s)-1-[4-(3-amino-1h-indazol-6-yl)-5-chloro-1h-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1h-tetrazol-1-yl)benzyl]urea
B([C@H](Cc1cccc(c1)C(=O)O)NC(=O)[C@@H](c2ccc(cc2)O)NC(=O)N3C=CN(C(=O)C3=O)CC)(O)O	3Y6	3-[(2r)-2-(dihydroxyboranyl)-2-{[(2r)-2-{[(4-ethyl-2,3-dioxo-3,4-dihydropyrazin-1(2h)-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}ethyl]benzoic acid
c1cc(c2c(c1N)non2)N3CCOCC3	3Y7	7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-amine
CC1=C2[C@H]([C@]([C@@](N2)([C@H]3[C@@H]([C@@]([C@@H](N3)CC4=N[C@@](CC5=NC1[C@@](C5CCC(=O)O)(C)CC(=O)O)(C(=C4CCC(=O)O)CC(=O)O)C)(C)C=CC(=O)O)CC(=O)O)C)(C)CC(=O)O)CCC(=O)O	3Y8	3-[(1r,2s,3s,7s,11s,16s,17r,18r,19r)-2,7,12,18-tetrakis(2-hydroxy-2-oxoethyl)-3,13-bis(3-hydroxy-3-oxopropyl)-1,2,5,7,11,17-hexamethyl-17-(3-oxidanyl-3-oxidanylidene-prop-1-enyl)-3,6,8,10,15,16,18,19,21,24-decahydrocorrin-8-yl]propanoic acid
c1cc(ccc1CCCCc2cc3c([nH]2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	3Y9	n-{4-[4-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-6-yl)butyl]benzoyl}-l-glutamic acid
c1cc(ccc1CCCCc2cc3c(s2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	3YA	n-{4-[4-(2-amino-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]benzoyl}-l-glutamic acid
c1c(csc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)CCCCc2cc3c([nH]2)N=C(NC3=O)N	3YB	n-({4-[4-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-6-yl)butyl]thiophen-2-yl}carbonyl)-l-glutamic acid
c1c(csc1CCCCc2cc3c([nH]2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	3YC	(s)-2-({5-[4-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]-pyrimidin-6-yl)butyl]thiophene-3-carbonyl}amino)pentanedioic acid
c1c([nH]c2c1C(=O)NC(=N2)N)CCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O	3YD	(s)-2-(7-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-6-yl)heptanamido)pentanedioic acid
c1c([nH]c2c1C(=O)NC(=N2)N)CCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O	3YE	(s)-2-(8-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-6-yl)octanamido)pentanedioic acid
c1c(csc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)CCCc2cc3c([nH]2)N=C(NC3=O)N	3YF	(s)-2-({4-[3-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-6-yl)-propyl]-thiophene-2-carbonyl}-amino)-pentanedioic acid
c1c(csc1CCCc2cc3c([nH]2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	3YG	(s)-2-({5-[3-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-6-yl)-propyl]-thiophene-3-carbonyl}-amino)-pentanedioic acid
[H]/N=C(\c1cccc(c1)c2c(con2)C(=O)Nc3ccc(cc3)c4ccccc4S(=O)(=O)N)/N	3YH	3-(3-carbamimidoylphenyl)-n-(2'-sulfamoylbiphenyl-4-yl)-1,2-oxazole-4-carboxamide
Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(=O)Nc(c2O)c(c3O)C=O)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O	3YI	(2s,12z,14e,16s,17s,18r,19r,20r,21s,22r,23s,24e)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptam ethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate
CCCN(C)C(=O)CCCCCCCCCC[C@@H]1Cc2cc(ccc2[C@@H]3[C@@H]1[C@@H]4CC[C@@H]([C@]4(CC3)C)O)O	3YJ	11-[3,17beta-dihydroxyestra-1,3,5(10)-trien-7beta-yl]-n-methyl-n-propylundecanamide
COc1cc(ccc1O)C[C@@H](C(=O)O)N	3YM	3-methoxy-l-tyrosine
C[C@@H]1C(=O)[C@@H](C[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O	3YN	[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl (2r,4r,6r)-4-hydroxy-6-methyl-5-oxotetrahydro-2h-pyran-2-yl dihydrogen diphosphate
Cc1c(ccc(c1NC(=O)c2cc3ccccc3s2)F)C4=NNC(=O)C(=C4)Nc5cc6n(n5)CCN(C6)C	3YO	n-(6-fluoro-2-methyl-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl)-1-benzothiophene-2-carboxamide
C1CCC(C1)CCC(=O)NO	3YP	3-cyclopentyl-n-hydroxypropanamide
Cc1cccnc1NC(P(=O)(O)O)P(=O)(O)O	3YQ	{[(3-methylpyridin-2-yl)amino]methanediyl}bis(phosphonic acid)
c1cc(c(c(c1)F)c2nc(cs2)C(=O)Nc3cnccc3O[C@H]4CCNC4)F	3YR	2-(2,6-difluorophenyl)-n-{4-[(3s)-pyrrolidin-3-yloxy]pyridin-3-yl}-1,3-thiazole-4-carboxamide
c1cc(c(cc1NC(=O)c2ccc(cn2)F)[C@]34COC[C@H]3CSC(=N4)N)F	3YS	n-{3-[(4as,7as)-2-amino-4a,5-dihydro-4h-furo[3,4-d][1,3]thiazin-7a(7h)-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide
c1cc(cc(c1)n2nccn2)Nc3c(cnc(n3)N[C@@H]4CCCC[C@@H]4N)C(=O)N	3YT	2-{[(1r,2s)-2-aminocyclohexyl]amino}-4-{[3-(2h-1,2,3-triazol-2-yl)phenyl]amino}pyrimidine-5-carboxamide
c1ccc(cc1)C[C@@H](c2[nH]cc(n2)c3ccc4c(c3)[nH]nc4N)NC(=O)/C=C/c5cc(ccc5n6cnnn6)Cl	3YU	(2e)-n-{(1s)-1-[4-(3-amino-1h-indazol-6-yl)-1h-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enamide
c1cc(cc(c1)n2nccn2)Nc3c(nnc(n3)N[C@@H]4CCCC[C@@H]4N)C(=O)N	3YV	3-{[(1r,2s)-2-aminocyclohexyl]amino}-5-{[3-(2h-1,2,3-triazol-2-yl)phenyl]amino}-1,2,4-triazine-6-carboxamide
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC[C@H](CO)O)CO)O)O	3YW	(2s)-2,3-dihydroxypropyl 2-acetamido-2-deoxy-alpha-d-glucopyranoside
c1cc2cc[nH]c2c(c1)Nc3c(nnc(n3)N[C@@H]4CCCC[C@@H]4N)C(=O)N	3YX	3-{[(1r,2s)-2-aminocyclohexyl]amino}-5-(1h-indol-7-ylamino)-1,2,4-triazine-6-carboxamide
c1ccc(cc1)n2cc(c(n2)c3ccc(cc3)F)[C@@H]4C(=O)NC(=O)N4	3YY	(5r)-5-[3-(4-fluorophenyl)-1-phenyl-1h-pyrazol-4-yl]imidazolidine-2,4-dione
Cn1c2c(cc(cc2OC)C(=O)N3CC[C@H]([C@H](C3)N)O)nc1c4cc5cccnc5n4CC6CC6	3YZ	[(3s,4r)-3-amino-4-hydroxypiperidin-1-yl]{2-[1-(cyclopropylmethyl)-1h-pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methyl-1h-benzimidazol-5-yl}methanone
CCn1c(cc2c1nccc2)c3nc4cc(cc(c4n3C)OC)C(=O)N5CCC[C@H](C5)N	3Z0	[(3r)-3-aminopiperidin-1-yl][2-(1-ethyl-1h-pyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methyl-1h-benzimidazol-5-yl]methanone
Cc1ccc(c(c1c2ccc3c(c2)cnc(n3)NC)N)C(=O)Nc4ccc(c(c4)C(F)(F)F)OC	3Z1	2-amino-n-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide
CN1C(=C(C(=O)N1c2ccccc2)C(=O)Nc3ccc(cn3)Oc4ccnc5c4cc(c(c5)OC)OC)c6ccncc6	3Z2	n-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-1-methyl-3-oxo-2-phenyl-5-(pyridin-4-yl)-2,3-dihydro-1h-pyrazole-4-carboxamide
Cc1ccc(c(c1c2ccc3c(c2F)cnc(n3)NC)N)C(=O)C4=C(N(N(C4=O)c5ccccc5)C)c6ccccc6	3Z3	4-{2-amino-3-[5-fluoro-2-(methylamino)quinazolin-6-yl]-4-methylbenzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3h-pyrazol-3-one
Cc1ccc(c(c1c2ccc3c(c2)sc(n3)NC)N)C(=O)C4=C(N(N(C4=O)c5ccccc5)C)c6ccccc6	3Z4	4-{2-amino-4-methyl-3-[2-(methylamino)-1,3-benzothiazol-6-yl]benzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3h-pyrazol-3-one
Cc1ccc(c(c1c2ccc3c(c2)ccc(n3)C)N)C(=O)C4=C(N(N(C4=O)c5ccccc5)C)c6ccccc6	3Z5	4-[2-amino-4-methyl-3-(2-methylquinolin-6-yl)benzoyl]-1-methyl-2,5-diphenyl-1,2-dihydro-3h-pyrazol-3-one
Cc1nc(c2c(cn(c2n1)C)c3ccc4c(c3)CCN4C(=O)Cc5cc(cc(c5)F)C(F)(F)F)N	3Z6	1-[5-(4-amino-2,7-dimethyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1h-indol-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone
COc1cc(ccc1O)Br	3Z7	4-bromo-2-methoxyphenol
c1cc2c(cc1Cl)C(=O)NCC2	3Z8	7-chloro-3,4-dihydroisoquinolin-1(2h)-one
CC(C)S(=O)(=O)c1ccc(cc1[C@H]2CCCN2C(=O)[C@@H](c3ccc(c(c3)OC)OC)Nc4ccc5c(c4)C(=O)NCC5)NC(=O)OC	3Z9	methyl {3-[(2r)-1-{(2r)-2-(3,4-dimethoxyphenyl)-2-[(1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]acetyl}pyrrolidin-2-yl]-4-(propan-2-ylsulfonyl)phenyl}carbamate
CN(C(=O)CC[C@H](C[C@@H](C(=O)O)N)C(=O)O)O	3ZA	(4r)-4-{3-[hydroxy(methyl)amino]-3-oxopropyl}-l-glutamic acid
c1cc2c(cc1Cl)cc([nH]2)C(=O)O	3ZB	5-chloro-1h-indole-2-carboxylic acid
CNC(=O)c1cccc2c1ccc(c2)Oc3ccnc4c3cc(c(c4)OCC5(CC5)N)OC	3ZC	6-({7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl}oxy)-n-methylnaphthalene-1-carboxamide
[H]/N=C(\c1ccc(cc1)CNC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc3ccccc3)/N	3ZD	(2r)-n-[(2s)-1-[(4-carbamimidoylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanamide
c1nc2c(n1[C@H]3CN(C[C@H]3O)C(=O)CP(=O)(O)O)N=C(NC2=O)N	3ZE	{2-[(3s,4r)-3-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl}phosphonic acid
c1nc2c(n1[C@H]3CCN(C3)C(=O)CP(=O)(O)O)N=C(NC2=O)N	3ZF	{2-[(3s)-3-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)pyrrolidin-1-yl]-2-oxoethyl}phosphonic acid
c1cc2cnccc2cc1NC(=O)NCC(=O)N3CCCC3	3ZG	1-isoquinolin-6-yl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea
c1ccc(cc1)CCCCCCCCN2CN(C=C2C[C@@H](C(=O)O)N)CCCCCCCCCCC(=O)O	3ZH	11-{4-[(2s)-2-amino-2-carboxyethyl]-3-(8-phenyloctyl)-2,3-dihydro-1h-imidazol-1-yl}undecanoic acid
c1cc2c(c[nH]c2c(c1)F)C[C@H]3C(=O)N4CCC[C@H]4C(=O)N3	3ZI	(3~{s},8~{a}~{s})-3-[(7-fluoranyl-1~{h}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CC(C)N(C[C@@H]1CNC[C@H]1NS(=O)(=O)Cc2ccccc2)C(=O)c3ccc(c(c3)OCCCOC)OC	3ZJ	n-({(3s,4s)-4-[(benzylsulfonyl)amino]pyrrolidin-3-yl}methyl)-4-methoxy-3-(3-methoxypropoxy)-n-(propan-2-yl)benzamide
Cc1ccc(cc1)S(=O)(=O)N[C@@H]2CNC[C@H]2CN(C(C)C)C(=O)c3ccc(c(c3)OCCCOC)OC	3ZK	4-methoxy-3-(3-methoxypropoxy)-n-{[(3s,4s)-4-{[(4-methylphenyl)sulfonyl]amino}pyrrolidin-3-yl]methyl}-n-(propan-2-yl)benzamide
C=C(C(=O)/C=C\NCCCC[C@@H](C(=O)O)N)N	3ZL	n~6~-[(1z)-4-amino-3-oxopenta-1,4-dien-1-yl]-l-lysine
Cc1c(sc(n1)[C@H]([C@H]2CCCCN2)NC(=O)c3ccc([nH]3)c4ccc(cc4)Cl)CO	3ZM	5-(4-chlorophenyl)-n-{(s)-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl][(2r)-piperidin-2-yl]methyl}-1h-pyrrole-2-carboxamide
CC(C)N(C[C@@H]1CNC[C@H]1OC(=O)NCc2ccccc2)C(=O)c3ccc(c(c3)OCCCOC)OC	3ZN	(3s,4s)-4-({[4-methoxy-3-(3-methoxypropoxy)benzoyl](propan-2-yl)amino}methyl)pyrrolidin-3-yl benzylcarbamate
c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)NC(=O)NC2=O	3ZO	2'-deoxy-xanthosine-5'-monophosphate
CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)O)OC	3ZP	2-[(4r,5s,6s,7r,9r,11e,13e,15r,16r)-6-[(2r,3r,4r,5s,6r)-4-(dimethylamino)-5-[(2s,4r,5s,6s)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-16-ethyl-15-[[(2r,3r,4r,5s,6r)-3-methoxy-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-5,9,13-trimethyl-4-oxidanyl-2,10-bis(oxidanylidene)-1-oxacyclohexadeca-11,13-dien-7-yl]ethanal
C1CC[C@@H]([C@H](C1)O)O	3ZQ	(1s,2s)-cyclohexane-1,2-diol
CCOP(=O)([C@H]([C@H](CC1=CC=NC1=O)NC(=O)[C@H](CC2CCCCC2)NC(=O)OCc3cccc(c3)Cl)O)OCC	3ZR	diethyl [(1r,2s)-2-[(n-{[(3-chlorobenzyl)oxy]carbonyl}-3-cyclohexyl-l-alanyl)amino]-1-hydroxy-3-(2-oxo-2h-pyrrol-3-yl)propyl]phosphonate
C1C[C@@H]2[C@H](C1)O2	3ZS	(1r,5s)-6-oxabicyclo[3.1.0]hexane
COc1ccc2c(c1)C(=O)C(=[N+]2[O-])c3ccc(cc3)N	3ZU	(2s)-2-(4-aminophenyl)-1-hydroxy-5-methoxy-1,2-dihydro-3h-indol-3-one
COc1ccc(cc1)C2=Nc3ccc(cc3C2=O)OC	3ZV	5-methoxy-2-(4-methoxyphenyl)-3h-indol-3-one
Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[In]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O	3ZZ	protoporphyrin ix containing indium
CC[C@H](c1ccccc1)NC(=O)c2cc3c(s2)c(n[nH]3)NC(=O)c4ccc(cc4)N5CCN(CC5)C	400	3-({[4-(4-methylpiperazin-1-yl)phenyl]carbonyl}amino)-n-[(1r)-1-phenylpropyl]-1h-thieno[3,2-c]pyrazole-5-carboxamide
CC[C@@H](Cc1ccc(c(c1)CNC(=O)c2ccc(cc2F)C(F)(F)F)OC)C(=O)O	401	(2s)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-4-methoxybenzyl}butanoic acid
C1NC[S]2[Fe]3([S]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+]	402	dicarbonyl[bis(cyanide-kappac)]-mu-(iminodimethanethiolatato-1kappas:2kappas)-mu-(oxomethylidene)diiron(2+)
c1ccc(c(c1)N2CCN(CC2)C(=O)[C@@H]([C@H](C(=O)NCCc3cccs3)O)O)Cl	403	(2r,3r)-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-n-(2-thiophen-2-ylethyl)butanamide
CC[C@H](CO)Nc1nc2c(c(n1)NCc3ccccc3)[nH]nc2C(C)C	404	(2r)-2-{[7-(benzylamino)-3-(propan-2-yl)-1h-pyrazolo[4,3-d]pyrimidin-5-yl]amino}butan-1-ol
c1ccc(cc1)[C@H](CCN)Oc2ccc(cc2)C(F)(F)F	405	(3s)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
Cc1ccc(cc1Nc2nccc(n2)c3cncnc3)NC(=O)c4ccc(c(c4)C(F)(F)F)C[N@@]5CC[C@@H](C5)N(C)C	406	n-[3-(4,5'-bipyrimidin-2-ylamino)-4-methylphenyl]-4-{[(3s)-3-(dimethylamino)pyrrolidin-1-yl]methyl}-3-(trifluoromethyl) benzamide
Cc1cc(ccc1F)S(=O)(=O)N[C@H](C)C(=O)NO	407	n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-d-alaninamide
c1ccc(cc1)[C@@H](CCN)Oc2ccc(cc2)C(F)(F)F	408	(3r)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
C[C@H]([C@@H](C(=O)NS(=O)(=O)c1cccc(c1)c2ccc3c(c2)ncnc3N)N)O	409	n-{[3-(4-aminoquinazolin-7-yl)phenyl]sulfonyl}-l-threoninamide
C[C@@H](CN(CC(=O)O)C(=O)Cn1cnc2c1ncnc2N)N	40A	n-[(2s)-2-aminopropyl]-n-[(6-amino-9h-purin-9-yl)acetyl]glycine
c1ccc(cc1)c2cccc(c2)c3cccc(c3)C(O)(P(=O)(O)O)P(=O)(O)O	40B	[hydroxy(1,1':3',1''-terphenyl-3-yl)methanediyl]bis(phosphonic acid)
C[C@@H](CN(CC(=O)O)C(=O)CN1C=CC(=NC1=O)N)N	40C	n-[(4-amino-2-oxopyrimidin-1(2h)-yl)acetyl]-n-[(2s)-2-aminopropyl]glycine
CNCCC(c1ccccc1)Oc2ccc(cc2Br)C(F)(F)F	40D	3-[2-bromanyl-4-(trifluoromethyl)phenoxy]-n-methyl-3-phenyl-propan-1-amine
CC(C)NC(=O)C(=O)O	40E	oxo(propan-2-ylamino)acetic acid
C1C[C@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(C(=O)O)N	40F	(1s,2s,5r,6s)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
C[C@@H](CN(CC(=O)O)C(=O)Cn1cnc2c1N=C(NC2=O)N)N	40G	n-[(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)acetyl]-n-[(2s)-2-aminopropyl]glycine
C1CC12C[C@]([C@H]3[C@@H]2[C@@H]3C(=O)O)(C(=O)O)N	40H	(1r,4s,5s,6s)-4-aminospiro[bicyclo[3.1.0]hexane-2,1'-cyclopropane]-4,6-dicarboxylic acid
CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)[C@H](C(C)C)NC(=O)c2ccco2	40I	n-[(2s)-3-methyl-1-[[(2s)-4-methyl-1-oxidanylidene-1-[[(2s)-1-oxidanylidene-3-[(3s}-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]furan-2-carboxamide
C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CCl)O)O)CCl)O)O)Cl)O	40J	1,6-dichloro-1,6-dideoxy-beta-d-fructofuranosyl 4-chloro-4-deoxy-alpha-d-galactopyranoside
c1cc(sc1)c2nnc3n2N=C([C@@H](S3)CC(=O)O)c4ccc(cc4)Cl	40K	[(7s)-6-(4-chlorophenyl)-3-(thiophen-2-yl)-7h-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
CC[C@@H](C1=Nc2cccc(c2C(=O)N1c3ccccc3)F)Nc4c5c(nc[nH]5)ncn4	40L	5-fluoro-3-phenyl-2-[(1s)-1-(7h-purin-6-ylamino)propyl]quinazolin-4(3h)-one
CCC(=O)Nc1cccc(c1Nc2ncc3cc(ccc3n2)c4c(c(cc(c4Cl)OC)OC)Cl)C	40M	n-(2-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}-3-methylphenyl)propanamide
c1ccc(c(c1)C2=CC(=O)c3cc4c(cc3N2)OCO4)F	40N	6-(2-fluorophenyl)[1,3]dioxolo[4,5-g]quinolin-8(5h)-one
C1CC[C@H]([C@@H](C1)O)O	40O	(1r,2r)-cyclohexane-1,2-diol
C[C@H]1C[C@]23CCC(=C[C@@H]2[C@H]4[C@H]5[C@@H]([C@@H](C[C@@](O4)(O5)C[C@H]6CCC[C@]7(O6)CC[C@@]8(O7)[C@](CC[C@H](O8)CC(=C)CCCC3=NC[C@@H]1C)(C)O)C)O)C(=O)O	40P	pinnatoxin a
c1cc(ccc1C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N	40Q	4-({[(6s)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoic acid
CCCCn1cncn1	40R	1-butyl-1h-1,2,4-triazole
CC(CCO)CCO	40S	3-methylpentane-1,5-diol
CC1=CN(C(=O)NC1=O)CC(=O)N(C[C@H](C)N)CC(=O)O	40T	n-[(2s)-2-aminopropyl]-n-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)acetyl]glycine
CC(C)[C@H](C(=O)N1CC[C@@](C(C1)(C)C)(c2ccc(cc2)Cl)O)NC(=O)CC3CC3	40U	n-{(2r)-1-[(4s)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-2-cyclopropylacetamide
COCCN(C[C@@H]1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4cc(c5cccnc5c4O)[N+](=O)[O-]	40V	n-{[(3r)-1-(2,3-dihydro-1h-inden-2-yl)piperidin-3-yl]methyl}-8-hydroxy-n-(2-methoxyethyl)-5-nitroquinoline-7-carboxamide
Cc1cn(c2c1C(=O)CC(C2)(C)C)c3ccc(cc3)C(=O)N	40W	4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1h-indol-1-yl)benzamide
CCC[C@H]1Cc2c(c3c(n2-c4cc(c(cc4O1)C(=O)N)Cl)CC(CC3=O)(C)C)C	40X	(6s)-2-chloro-8,11,11-trimethyl-9-oxo-6-propyl-6,7,9,10,11,12-hexahydroindolo[2,1-d][1,5]benzoxazepine-3-carboxamide
Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4ccc(cc4OCC2)C(=O)N	40Y	8,11,11-trimethyl-9-oxo-6,7,9,10,11,12-hexahydroindolo[2,1-d][1,5]benzoxazepine-3-carboxamide
Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4cc(c(cc4N(CC2)Cc5ccco5)C(=O)N)Cl	40Z	2-chloro-5-(furan-2-ylmethyl)-8,11,11-trimethyl-9-oxo-6,7,9,10,11,12-hexahydro-5h-indolo[1,2-a][1,5]benzodiazepine-3-carboxamide
c1ccc(cc1)C(=O)N(c2cccc(c2)c3c(c(c(s3)C(=O)O)OCC(=O)O)Br)C4CCCCC4	410	4-bromo-3-(carboxymethoxy)-5-{3-[cyclohexyl(phenylcarbonyl)amino]phenyl}thiophene-2-carboxylic acid
[H]/N=C(\N)/NC(=O)Cn1c(ccc1c2ccc(cc2)NC(=O)c3cccc(c3)Br)c4ccccc4	411	3-bromo-n-[4-[1-(2-carbamimidamido-2-oxo-ethyl)-5-phenyl-pyrrol-2-yl]phenyl]benzamide
[H]/N=C(\N)/NCCc1ccc(cc1)B2OC[C@H](O2)CO	412	(r)-1-(4-(4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl)phenethyl)guanidine
COc1cc(ccc1OCc2ccccc2)[C@H](C(=O)N[C@@H](c3ccccc3)C(=O)O)Nc4ccc(cc4)C(=N)N	413	(s)-[(r)-2-(4-benzyloxy-3-methoxy-phenyl)-2-(4-carbamimidoyl-phenylamino)-acetylamino]-phenyl-acetic acid
[H]/N=C(/N)\Nc1cccc(c1)[C@@H](C(=O)O)O[P@@](=O)([C@H](C2CCCCC2)NC(=O)OCc3ccccc3)O	414	(5r,6r,8s)-8-(3-{[amino(imino)methyl]amino}phenyl)-5-cyclohexyl-6-hydroxy-3-oxo-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide
COc1cc(cc(c1)Cl)CNCCCNC(=O)Nc2ccccc2	415	1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-phenylurea
CC(C)(C)c1cc2c(cc1Cl)C=C([C@H](O2)C(F)(F)F)C(=O)O	416	(2s)-7-tert-butyl-6-chloro-2-(trifluoromethyl)-2h-chromene-3-carboxylic acid
c1c(c(cc(c1F)F)F)[C@H]2CC[C@@H](C[C@@H]2N)[N@@]3CCn4c(nnc4C(F)(F)F)C3	417	(1s,2r,5s)-5-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8h)-yl]-2-(2,4,5-trifluorophenyl)cyclohexanamine
COC(=O)c1c(cccc1OCCCCNC(=O)[C@H](Cc2ccc(cc2)N(c3ccccc3C(=O)O)C(=O)C(=O)O)NC(=O)OCC=C)O	418	2-{4-[2-(s)-allyloxycarbonylamino-3-{4-[(2-carboxy-phenyl)-oxalyl-amino]-phenyl}-propionylamino]-butoxy}-6-hydroxy-benz oic acid methyl ester
C[C@@H](C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@H](CC2)NC(=O)C(c3ccccc3)c4ccccc4)C(C)(C)C)NC	419	n-[(3ar,6s,6as)-1-(n-methyl-l-alanyl-3-methyl-l-valyl)octahydrocyclopenta[b]pyrrol-6-yl]-2,2-diphenylacetamide
CC1(Cc2c(sc(n2)N3CCOCC3)C(=O)C1)C	41A	5,5-dimethyl-2-morpholin-4-yl-5,6-dihydro-1,3-benzothiazol-7(4h)-one
c1cc(c(cc1[C@@H](CO)N2C=CC(=CC2=O)c3ccnc(n3)NC4CCOCC4)F)Cl	41B	1-[(1s)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(tetrahydro-2h-pyran-4-ylamino)pyrimidin-4-yl]pyridin-2(1h)-one
c1cc[n+](c(c1)CCO)CCCS(=O)(=O)[O-]	41D	3-[2-(2-hydroxyethyl)pyridinium-1-yl]propane-1-sulfonate
CC(=O)c1ccc(s1)C(=O)N2CCC(CC2)CCC(=O)Nc3cccc(c3)OC	41E	3-{1-[(5-acetylthiophen-2-yl)carbonyl]piperidin-4-yl}-n-(3-methoxyphenyl)propanamide
c1ccc(cc1)N2CCN(CC2)C(=O)Nc3ccc4c(c3)nns4	41F	n-(1,2,3-benzothiadiazol-5-yl)-4-phenylpiperazine-1-carboxamide
Cn1c[n+](c2c1C(=O)NC(=N2)N)CC(=O)c3ccc(c(c3)C(=O)O)O	41G	5-[2-(2-azanyl-7-methyl-6-oxidanylidene-1h-purin-9-ium-9-yl)ethanoyl]-2-oxidanyl-benzoic acid
C[C@@H](c1ccccc1)[C@@H](C(=O)O)N	41H	(betas)-beta-methyl-l-phenylalanine
c1ccc(cc1)N2C(=O)C=C(C(=N2)C(=O)N)Oc3ccc(cc3)Cl	41I	4-(4-chlorophenoxy)-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxamide
C[C@H]1C[C@]23CCC(=C[C@@H]2[C@H]4[C@H]5[C@@H]([C@@H](C[C@@](O4)(O5)C[C@H]6CCC[C@]7(O6)CC[C@@]8(O7)[C@](CC[C@H](O8)C/C(=C/CCC3=NC[C@@H]1C)/C)(C)O)C)O)C=C	41J	pinnatoxin g
C[C@]1(N[C@@H](CS1)C(=O)O)C(=O)O	41K	(2r,4r)-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid
c1ccc(cc1)CC(=O)Nn2cnc3c2cccc3	41L	n-(1h-benzimidazol-1-yl)-2-phenylacetamide
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@@H](C(=O)N)N)NC(=O)N2	41M	n~6~-{5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}-l-lysinamide
CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)c3ccc4c(c3)OCO4	41N	1-{4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]phenyl}ethanone
c1cc(cc(c1)Cl)C(=O)N2CCN(CC2)c3ccc4c(c3)C=CC4=O	41O	5-[4-(3-chlorobenzoyl)piperazin-1-yl]-1h-inden-1-one
COc1ccc(cc1)S(=O)(=O)N(CC(=O)N)c2ccc(c3c2cccc3)N(CC(=O)N)S(=O)(=O)c4ccc(cc4)OC	41P	2,2'-(naphthalene-1,4-diylbis(((4-methoxyphenyl)sulfonyl)azanediyl))diacetamide
[H]/N=C(/C[C@@H](C(=O)O)N)\O	41Q	4-imino-l-homoserine
Cc1cc(ccc1F)S(=O)(=O)N(CC(C)C)[C@H](C(C)C)C(=O)NO	41R	n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-n~2~-(2-methylpropyl)-d-valinamide
CC(C)CN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc(c(c1)OC)F	41S	n~2~-[(4-fluoro-3-methoxyphenyl)sulfonyl]-n-hydroxy-n~2~-(2-methylpropyl)-d-valinamide
CC(C)CN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1cccc(c1)COC	41T	n-hydroxy-n~2~-{[3-(methoxymethyl)phenyl]sulfonyl}-n~2~-(2-methylpropyl)-d-valinamide
CNCC[C@@H](c1ccccc1)Oc2ccccc2OC	41U	nisoxetine
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]\2[C@@]1(CCC/C2=C/C=C3C[C@H](C[C@@H](C3)O)O)C	41V	(1r,3r,7z,14beta,17alpha)-17-[(2r)-6-hydroxy-6-methylheptan-2-yl]-9,10-secoestra-5,7-diene-1,3-diol
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C/C=C3C[C@H](C[C@@H](C3)O)O)C	41W	(1r,3r)-5-[(2z)-2-[(1r,3as,7ar)-7a-methyl-1-[(2r)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
CCOc1ccccc1O[C@H](c2ccccc2)[C@H]3CNCCO3	41X	(2r)-2-[(r)-(2-ethoxyphenoxy)(phenyl)methyl]morpholine
C[C@@H]1c2ccc(c(c2CCN1[C@@H](C)c3ccc(cc3)C(C)C)c4cc(c(c(c4)F)O)NCC(C)C)OC	41Y	2-fluoro-4-[(1r)-6-methoxy-1-methyl-2-{(1s)-1-[4-(propan-2-yl)phenyl]ethyl}-1,2,3,4-tetrahydroisoquinolin-5-yl]-6-[(2-methylpropyl)amino]phenol
Cc1cccc(c1CNc2cc(nc3c2cccc3C(=O)N)C)C	41Z	4-[(2,6-dimethylbenzyl)amino]-2-methylquinoline-8-carboxamide
CN(C)c1cccc2c1cccc2S(=O)(=O)NCCNC(=O)CI	420	n-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]-2-iodoacetamide
[H]/N=C(\c1ccc2cc(cc(c2c1)NC(=O)c3cccc(c3C)O)C(=O)OC)/N	421	6-carbamimidoyl-4-(3-hydroxy-2-methyl-benzoylamino)-naphthalene-2-carboxylic acid methyl ester
c1cc2c(cc1CN3CCC(CC3)CN)cc([nH]2)c4c5ccc(cc5[nH]n4)C#N	422	3-(5-{[4-(aminomethyl)piperidin-1-yl]methyl}-1h-indol-2-yl)-1h-indazole-6-carbonitrile
CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OCc2cn(nn2)CCN(CCn3cc(nn3)CO[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)CCn5cc(nn5)CO[C@@]6(C[C@@H]([C@H]([C@@H](O6)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O	423	(1-{2-[bis(2-{4-[({(6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranonosyl}oxy)methyl]-1h-1,2,3-triazol-1-yl}ethyl)amino]ethyl}-1h-1,2,3-triazol-4-yl)methyl (6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranosidonic acid
[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)c4ccc(cc4)Cl)S(=O)(=O)c5ccccc5Cl	424	(2s,4r)-1-[1-(4-chlorophenyl)cyclopropyl]carbonyl-4-(2-chlorophenyl)sulfonyl-n-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide
CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OCCc2cn(nn2)CCN(CCn3cc(nn3)CCO[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)CCn5cc(nn5)CCO[C@@]6(C[C@@H]([C@H]([C@@H](O6)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O	425	2-(1-{2-[bis(2-{4-[2-({(6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranonosyl}oxy)ethyl]-1h-1,2,3-triazol-1-yl}ethyl)amino]ethyl}-1h-1,2,3-triazol-4-yl)ethyl (6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranosidonic acid
[H]/N=C(/c1ccc2cc(ccc2c1)C(=O)Nc3cccc(c3)OC4CCCC4)\N	426	6-[(z)-amino(imino)methyl]-n-[3-(cyclopentyloxy)phenyl]-2-naphthamide
[H]/N=C(\N)/Nc1ccc(cc1)B2OC[C@H](O2)CO	427	(r)-1-(4-(4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl)phenyl)guanidine
CC(C)c1cn2c(n1)ccc(n2)O	428	2-(1-methylethyl)imidazo[1,2-b]pyridazin-6-ol
CC(=O)N[C@@H](Cc1ccc(c(c1)O)OCC(=O)O)C(=O)NCCCCOc2cccc(c2C(=O)OC)O	429	2-{4-[2-acetylamino-3-(4-carboxymethoxy-3-hydroxy-phenyl)-propionylamino]-butoxy}-6-hydroxy-benzoic acid methyl ester
c1cc2c(c[nH]c2nc1)C#N	42A	1h-pyrrolo[2,3-b]pyridine-3-carbonitrile
C(CN)[C@H](C(=O)O)O	42B	4-amino-2-hydroxybutanoic acid
CN(C)c1c2c(nc[nH]2)ncn1	42C	n,n-dimethyl-7h-purin-6-amine
COC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O	42D	3,5-dideoxy-5-[(methoxycarbonyl)amino]-d-glycero-alpha-d-galacto-non-2-ulopyranosonic acid
C1[C@H](O[C@H](S1)COP(=O)(O)O)N2C=CC(=NC2=O)N	42E	[(2r,5s)-5-(4-amino-2-oxopyrimidin-1(2h)-yl)-1,3-oxathiolan-2-yl]methyl dihydrogen phosphate
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c3ccc(cc3)I)C(=O)OC	42F	methyl (1r,2s,3s,5s)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CC(C)NC[C@H](COc1ccc(cc1)C(=O)NCCc2ccc(cc2)S(=O)(=O)N)O	42G	4-{(2r)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}-n-[2-(4-sulfamoylphenyl)ethyl]benzamide
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O	42H	(4r,7r,18z)-4,7-dihydroxy-n,n,n-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide
c1ccc(cc1)C(=O)Nc2c3ccc(cc3[nH]n2)c4ccc(cc4)O	42I	n-[6-(4-hydroxyphenyl)-1h-indazol-3-yl]benzamide
c1cc(c(cc1CCN)Cl)Cl	42J	2-(3,4-dichlorophenyl)ethanamine
c1cc(ccc1N/N=C\2/c3c(ccc4c3nn[nH]4)NC2=O)S(=O)(=O)N	42K	4-[(2z)-2-(7-oxidanylidene-3,6-dihydropyrrolo[3,2-e]benzotriazol-8-ylidene)hydrazinyl]benzenesulfonamide
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c3ccc(cc3)F)C(=O)OC	42L	methyl (1r,2s,3s,5s)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
COc1cc(ccc1Oc2ccc(cc2[N+](=O)O)[N+](=O)O)CO	42M	{4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzene-1,3-diyl}bis[hydroxy(oxo)ammonium]
c1ccc2c(c1)cccc2CC3=CC(=O)N4[C@@H](CSC4=C3C5CC5)C(=O)O	42O	(3~{r})-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
COCCCNc1nc(c(c(n1)Cl)c2nc3ccccc3s2)N[C@@H]4C[C@@H]([C@H]([C@H]4O)O)CO	42P	(1r,2s,3r,5r)-3-({5-(1,3-benzothiazol-2-yl)-6-chloro-2-[(3-methoxypropyl)amino]pyrimidin-4-yl}amino)-5-(hydroxymethyl)cyclopentane-1,2-diol
Cn1ccc2c1c(ncn2)Oc3ccc(c(c3)F)NC(=O)Nc4cccc(c4)C(F)(F)F	42Q	1-{2-fluoro-4-[(5-methyl-5h-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl}-3-[3-(trifluoromethyl)phenyl]urea
C[C@@]1(CN(C(=CC1=O)c2ccc(cc2)Br)C)O	42R	(3s)-6-(4-bromophenyl)-3-hydroxy-1,3-dimethyl-2,3-dihydropyridin-4(1h)-one
c1ccc(cc1)N/C(=N\O)/c2cccc(c2)C(F)(F)F	42S	n'-hydroxy-n-phenyl-3-(trifluoromethyl)benzenecarboximidamide
c1ccc(cc1)/N=C(\c2cc(cc(c2)NC(=O)Nc3c(cccc3Cl)Cl)C(F)(F)F)/NO	42T	3-{[(2,6-dichlorophenyl)carbamoyl]amino}-n-hydroxy-n'-phenyl-5-(trifluoromethyl)benzenecarboximidamide
c1cc(ccc1c2c(c[nH]n2)c3ccc(c(c3)C(F)(F)F)NCCN4CCNCC4)F	42U	4-[3-(4-fluorophenyl)-1h-pyrazol-4-yl]-n-[2-(piperazin-1-yl)ethyl]-2-(trifluoromethyl)aniline
CN1C(=O)/C(=C\C2=CNC(=O)C=C2)/NC1=S	42V	5-[(e)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]pyridin-2(1h)-one
CN1C(=O)C(=CC2=CN(C(=O)C=C2)Cc3ccccc3)NC1=S	42W	(e)-1-benzyl-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1h)-one
CCC(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O	42X	n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-n-[2-(propanoylamino)ethyl]-beta-alaninamide
CCC(=O)OC[C@@H](C(=O)O)N	42Y	o-propanoyl-l-serine
c1c2c(cc(c1Cl)Cl)nc([nH]2)C(=O)NCC(=O)O	42Z	n-[(5,6-dichloro-1h-benzimidazol-2-yl)carbonyl]glycine
C[C@H](c1ccccc1C(F)(F)F)Oc2cc(sc2C(=O)N)n3cnc4c3cccc4	430	5-(1h-benzimidazol-1-yl)-3-{(1r)-1-[2-(trifluoromethyl)phenyl]ethoxy}thiophene-2-carboxamide
Cc1ccc(cc1)C2=CC(=O)c3ccccc3O2	431	2-(4-methylphenyl)-4h-chromen-4-one
CCCC(=O)OC[C@@H](C(=O)O)N	432	o-butanoyl-l-serine
CC(C)(C(=O)O)Oc1ccc(cc1)CCCN(CCc2c(cccc2Cl)F)C(=O)Nc3cccc(c3Cl)Cl	433	2-(4-{3-[1-[2-(2-chloro-6-fluoro-phenyl)-ethyl]-3-(2,3-dichloro-phenyl)-ureido]-propyl}-phenoxy)-2-methyl-propionic acid
Cc1ccc2c(c1)C(=O)[C@]3(C2=O)[C@@H]([C@@H]([C@@H](O3)c4ccc(c(c4)Cl)Cl)C(=O)Nc5ccc(cc5)c6csnn6)C(=O)O	434	spiro[3-carboxy-4-{(4-[1,2,3]thiadiazol-4-yl-phenyl)-amino-carbonyl} -5-[3,4-dichloro-phenyl]-tetrahydrofuran-2,2'-5-methyl-indan-1,3-dione]
Cc1cc(cc(c1O)C)/N=N/c2ccc(cc2)S(=O)(=O)Nc3ccccn3	435	4-[(e)-(4-hydroxy-3,5-dimethylphenyl)diazenyl]-n-(pyridin-2-yl)benzenesulfonamide
CC[C@H](C(=O)N1C[C@H](C[C@H]1Cc2c3ccc(cc3[nH]c2c4c(c5ccc(cc5[nH]4)F)C[C@@H]6C[C@@H](CN6C(=O)[C@H](CC)NC(=O)[C@H](C)NC)O)F)O)NC(=O)[C@H](C)NC	436	(2s)-n-{(2r)-1-[(2r,4s)-2-{[6,6'-difluoro-3'-({(2r,4s)-4-hydroxy-1-[(2s)-2-{[(2s)-2-(methylamino)propanoyl]amino}butanoyl]pyrrolidin-2-yl}methyl)-1h,1'h-2,2'-biindol-3-yl]methyl}-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl}-2-(methylamino)propanamide
CC(C)(C)c1cc(n(n1)c2ccc(cc2)CO)NC(=O)Nc3cccc4c3cccc4	437	1-{3-tert-butyl-1-[4-(hydroxymethyl)phenyl]-1h-pyrazol-5-yl}-3-naphthalen-1-ylurea
CN(C)c1ccc(c(c1)Oc2c(c(c(c(n2)Oc3cccc(c3)c4cccc(c4)CN)F)N5CC[C@H](C5)N(C)C)F)C(=O)O	438	2-[(6-{[3'-(aminomethyl)biphenyl-3-yl]oxy}-4-[(3r)-3-(dimethylamino)pyrrolidin-1-yl]-3,5-difluoropyridin-2-yl)oxy]-4-(dimethylamino)benzoic acid
CN(C)[C@@H]1CCc2c1ccc(c2)N3CC[C@@H](C3=O)NS(=O)(=O)c4ccc5cc(ccc5c4)Cl	439	6-chloro-n-{(3s)-1-[(1s)-1-(dimethylamino)-2,3-dihydro-1h-inden-5-yl]-2-oxo-3-pyrrolidinyl}-2-naphthalenesulfonamide
COc1cc(ccc1O)c2ccc3c(c2)NC(=O)C3=Cc4ccc[nH]4	43A	(3z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1h-pyrrol-2-ylmethylene)-1,3-dihydro-2h-indol-2-one
c1ccc(cc1)CCc2nc3cc(ccc3s2)c4ccc(cc4)C(=O)NS(=O)(=O)c5ccc(c(c5)[N+](=O)[O-])NCCSc6ccccc6	43B	3-nitro-n-{4-[2-(2-phenylethyl)-1,3-benzothiazol-5-yl]benzoyl}-4-{[2-(phenylsulfanyl)ethyl]amino}benzenesulfonamide
Cc1cn(nn1)CCn2cnc(c2c3ccc(cc3)C#N)c4ccccc4	43C	4-{1-[2-(4-methyl-1h-1,2,3-triazol-1-yl)ethyl]-4-phenyl-1h-imidazol-5-yl}benzonitrile
Cc1cn(nn1)CCn2cnc(c2c3ccc(cc3)C#N)c4cnn(c4)C	43D	4-{4-(1-methyl-1h-pyrazol-4-yl)-1-[2-(4-methyl-1h-1,2,3-triazol-1-yl)ethyl]-1h-imidazol-5-yl}benzonitrile
c1cscc1NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl	43E	1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea
COc1cc(ccc1Oc2ccc(cc2Cl)Cl)CCl	43F	2,4-dichloro-1-[4-(chloromethyl)-2-methoxyphenoxy]benzene
c1ccc(cc1)c2cccc(c2)N3C=CC(=O)C(=C3)O	43G	1-(biphenyl-3-yl)-3-hydroxypyridin-4(1h)-one
B(C1=CN(C=C(C1=O)O)c2cccc(c2)c3ccccc3)(O)O	43H	[1-(biphenyl-3-yl)-5-hydroxy-4-oxo-1,4-dihydropyridin-3-yl]boronic acid
CC[C@H]1CN(CCN1C2CCN(CC2)Cc3ccc(cc3)Cl)c4c(nc(c(n4)N)C(=O)N)Cl	43I	3-azanyl-6-chloranyl-5-[(3s)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethyl-piperazin-1-yl]pyrazine-2-carboxamide
CN1C(=NC=C(C1=O)O)c2cccc(c2)c3ccccc3	43J	2-(biphenyl-3-yl)-5-hydroxy-3-methylpyrimidin-4(3h)-one
c1cc(c(nc1)F)c2ccc3c(c2)[C@@]4(COC(=N4)N)c5cc(ncc5O3)c6ccnc(c6)F	43K	(5s)-7-(2-fluoropyridin-3-yl)-3-(2-fluoropyridin-4-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine
c1cc(cc(c1)Br)[C@@H]2C[C@@H](n3c(nnn3)N2)c4cccc(c4)Br	43L	(5s,7r)-5,7-bis(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
Cc1cc(ccc1Cl)O	43M	4-chloro-3-methylphenol
CCNc1cc(cc(c1C(=O)O)Oc2cccc(c2)Cl)[C@@H](c3ccccc3)N4CCC[C@@H](C4)N5C=C(C(=O)NC5=O)C	43N	2-(3-chlorophenoxy)-6-(ethylamino)-4-[(r)-[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl](phenyl)methyl]benzoic acid
Cc1c(c2cc(ccc2[nH]1)O)CCNC(=O)COC	43O	n-[2-(5-hydroxy-2-methyl-1h-indol-3-yl)ethyl]-2-methoxyacetamide
CCc1cc(c(cc1O)O)c2c(c[nH]n2)c3c[nH]cn3	43P	4-(1h-imidazol-4-yl)-3-(5-ethyl-2,4-dihydroxy-phenyl)-1h-pyrazole
C[C+](CO)[C@@H](COP(=O)(O)OP(=O)(O)O)O	43Q	(3s)-1,3-dihydroxy-4-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}-2-methylbut-2-ylium, carbokation intermediate
CC(=O)Nc1nc2c(s1)CN(CC2)c3cc(cnc3)OC	43R	n-[5-(5-methoxypyridin-3-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
c1coc2c1cc(cc2c3c4c([nH]cn4)nc(n3)N)Br	43S	6-(5-bromo-1-benzofuran-7-yl)-9h-purin-2-amine
C[C@@H](c1ccccc1)NC(=O)c2cc(cc(c2)F)CN3C(=O)C[C@@](N=C3N)(C)C(C)C	43T	3-{[(4s)-2-amino-4-methyl-6-oxo-4-(propan-2-yl)-5,6-dihydropyrimidin-1(4h)-yl]methyl}-5-fluoro-n-[(1s)-1-phenylethyl]benzamide
COc1ccc(cc1c2c3c([nH]cn3)nc(n2)N)Br	43U	6-(5-bromo-2-methoxyphenyl)-9h-purin-2-amine
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2nc(c(s2)c3ccccc3)c4cc(ccc4Cl)Cl	43V	n-[4-(2,5-dichlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide
C#CCCOP(=O)(O)OP(=O)(O)O	43W	but-3-yn-1-yl trihydrogen diphosphate
C1[C@H](O[C@H](S1)COP(=O)(O)O)N2C=C(C(=NC2=O)N)F	43X	[(2r,5s)-5-(4-amino-5-fluoro-2-oxopyrimidin-1(2h)-yl)-1,3-oxathiolan-2-yl]methyl dihydrogen phosphate
CCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CC	43Y	[(2r)-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-2-propanoyloxy-propyl] propanoate
c1cc(c(c(c1)F)Cl)CNC(=O)C2C[C@H]([C@H](C2)O)O	43Z	optactamide
CC#CCOc1ccc(cc1)S(=O)(=O)CCCS	440	3-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane-1-thiol
c1ccc(cc1)CCNC(c2cc(ccc2O)Oc3c(cc(cc3Br)CC(O)O)Br)O	442	2-[3,5-dibromo-4-(4-hydroxy-3-{hydroxy[(2-phenylethyl)amino]methyl}phenoxy)phenyl]ethane-1,1-diol
c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)C[C@H](C(=O)N3CCC(CC3)N4CCCNC4=O)O	443	1-(1-{(2s)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}piperidin-4-yl)tetrahydropyrimidin-2(1h)-one
c1ccc(cc1)S(=O)(=O)[N@@](CC(F)(F)F)c2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O	444	n-(2,2,2-trifluoroethyl)-n-{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}benzenesulfonamide
c1ccc(cc1)NC(=O)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	445	n-[oxo(phenylamino)acetyl]-beta-d-glucopyranosylamine
COC(=O)C1=C(c2cc(ccc2C(=O)N1Cc3ccc(cc3)NC(=O)CCC(=O)O)Br)c4ccccc4	446	4-[(4-{[6-bromo-3-(methoxycarbonyl)-1-oxo-4-phenylisoquinolin-2(1h)-yl]methyl}phenyl)amino]-4-oxobutanoic acid
COc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(cc4)NC(=O)c5ccccc5	447	n-(4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino}phenyl)benzamide
C[C@@H]1c2nc(nn2CCN1C(=O)C[C@@H](Cc3cc(c(cc3F)F)F)N)C(F)(F)F	448	(2r)-4-[(8r)-8-methyl-2-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[1,5-a]pyrazin-7(8h)-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-amine
C[N+]1(CCC(CC1)C(=O)O)C	449	4-carboxy-1,1-dimethylpiperidin-1-ium
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)O)O)O)N	44A	9-beta-d-ribofuranuronosyl-9h-purin-6-amine
c1cc(ccc1C(C(F)(F)F)(C(F)(F)F)O)NCC(F)(F)F	44B	1,1,1,3,3,3-hexafluoro-2-{4-[(2,2,2-trifluoroethyl)amino]phenyl}propan-2-ol
c1ccc(c(c1)C(=O)O)Nc2ccc(cc2)OCCCCOc3ccc(cc3)c4ccc(cc4)C(=O)O	44C	4'-(4-{4-[(2-carboxyphenyl)amino]phenoxy}butoxy)-1,1'-biphenyl-4-carboxylic acid
C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@@H](O[C@H](C[C@@H]2O)O[C@H]3C[C@@](Cc4c3c(c5c(c4O)C(=O)c6ccccc6C5=O)O)(C(=O)CO)O)C)N)O	44D	7-[5-(4-amino-5-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-4-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy]-6,9,11-trihydroxy-9-(2-hydroxy-acetyl)-7,8,9,10-tetrahydro-naphthacene-5,12-dione
CCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCC	44E	(2r)-3-(phosphonooxy)propane-1,2-diyl dihexanoate
COc1cc(cc(c1)Cl)CNCCCNC(=O)Nc2ccsc2	44F	1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-thiophen-3-ylurea
CCCCCC(=O)OC[C@@H](COP(=O)(O)OC[C@@H](CO)O)OC(=O)CCCCC	44G	(2s)-3-{[(r)-{[(2r)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl hexanoate
C([C@H]([C@H]([C@@H](C(CO)O)O)O)O)OP(=O)(O)O	44H	d-mannitol-1-phosphate
C[C@@H](C(=O)N1C[C@@H]2C[C@H](C1)CN(C2)CCNC)N3CC[C@@H](C3=O)NS(=O)(=O)c4ccc5cc(ccc5c4)Cl	44I	6-chloro-n-{(3s)-1-[(2s)-1-{(1r,5s)-7-[2-(methylamino)ethyl]-3,7-diazabicyclo[3.3.1]non-3-yl}-1-oxopropan-2-yl]-2-oxopy rrolidin-3-yl}naphthalene-2-sulfonamide
c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@@H]([C@@H]3O)O)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)N	44J	n-({[(1r,2s,3r,4r)-4-(6-amino-9h-purin-9-yl)-2,3-dihydroxycyclopentyl]methyl}sulfamoyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide
c1nc(c2c(n1)n(cn2)[C@H]3CC[C@H](C3)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)N	44K	n-({[(1r,3s)-3-(6-amino-9h-purin-9-yl)cyclopentyl]methyl}sulfamoyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)F)N	44L	2',5'-dideoxy-2'-fluoro-5'-[({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)N=[N+]=[N-])N	44M	2'-azido-2',5'-dideoxy-5'-[({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine
C[C@]1([C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)O	44N	2'-c-methyl-5'-o-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)adenosine
c1nc(c2c(n1)n(cn2)[C@H]3CNC[C@H](O3)COS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)N	44O	[(2s,6r)-6-(6-amino-9h-purin-9-yl)morpholin-2-yl]methyl {5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamate
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(CP(=O)(O)O)O)O)O	44P	5'-o-[(s)-hydroxy(phosphonomethyl)phosphoryl]uridine
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)N	44Q	3',5'-dideoxy-5'-[({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine
c1nc(c2c(n1)n(cn2)COCCNS(=O)(=O)NC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)N	44R	n-({2-[(6-amino-9h-purin-9-yl)methoxy]ethyl}sulfamoyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide
C1[C@H]([C@@H](O[C@H]1O)[C@@H](COP(=O)(O)O)O)O	44S	2-deoxy-6-o-phosphono-beta-d-lyxo-hexofuranose
CCc1ccncc1CNCCCCSC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc4c3ncnc4N)O)O	44T	7-[5-s-(4-{[(4-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-d-ribofuranosyl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine
CCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](C(c2ccccc2)c3ccccc3)N	44U	beta-phenyl-d-phenylalanyl-n-propyl-l-prolinamide
C[C@H]1CNC2=C(N1)C(=O)NC(=N2)N	44V	(6s)-2-amino-6-methyl-5,6,7,8-tetrahydropteridin-4(3h)-one
CC1=NC2=C(NC1)N=C(NC2=O)N	44W	2-amino-6-methyl-7,8-dihydropteridin-4(3h)-one
Cc1cc(on1)c2cc(c3nnc(n3c2)[C@@H](C)c4ccc5c(c4)cc(cn5)OCCOC)F	44X	6-{(1s)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}-3-(2-methoxyethoxy)quinoline
CC(C)Oc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)c4ccc(cc4)Cl)c5cccc(c5)OC)OC	44Z	4-[[(4s,5r)-5-(4-chlorophenyl)-4-(3-methoxyphenyl)-2-(4-methoxy-2-propan-2-yloxy-phenyl)-4,5-dihydroimidazol-1-yl]carbonyl]piperazin-2-one
c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(N2Cc3cccc(c3)N)O)Cc4cccc(c4)N)Cc5ccccc5)O)O	450	{[4-r(-4-alpha,5-alpha,6-beta,7-beta)]-hexahydro-5,6-bis(hydroxy)-1,3-bis([3-amino)phenyl]methyl-4,7-bia(phenylmethyl)-2h-1,3-diazepinone
CC(=O)Nc1ccc2c(c1)OCCOCCOc3ccccc3OCCOCCO2	451	n-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)acetamide
CC(=O)c1cc(c(cc1NCC(=O)Nc2ccccc2C(=O)O)Cl)F	452	2-{[n-(2-acetyl-5-chloro-4-fluorophenyl)glycyl]amino}benzoic acid
CC1=C([C@@H](NC(=O)N1)c2ccc(c(c2)C(=O)NCc3ccccn3)F)C(=O)Nc4ccc5c(c4)cn[nH]5	453	(4s)-4-{4-fluoro-3-[(pyridin-2-ylmethyl)carbamoyl]phenyl}-n-(1h-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
c1ccc(cc1)C2(C3=NCCCN3C(=N2)N)c4ccccc4	454	8,8-diphenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine
c1cc(ccc1NC(=O)[C@H]2C[N@@](C[C@@H]2C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O)S(=O)(=O)N)Cl	455	(3r,4r)-1-sulfamoyl-pyrrolidine-3,4-dicarboxylic acid 3-[(4-chloro-phenyl)-amide] 4-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenyl]-amide}
CC(=O)Nc1nc2c(s1)CN(CC2)c3cncc(n3)OC	456	n-[5-(6-methoxypyrazin-2-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CC1=CC[C@]2(C[C@@H]1[C@H](OC2)c3ccc(cc3)O)CO	458	4-[(1s,2s,5s)-5-(hydroxymethyl)-8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol
CC1CC[C@@]2(CO[C@@H]([C@H]1[C@H]2C)c3ccc(cc3)O)CO	459	4-[(1s,2s,5s,9r)-5-(hydroxymethyl)-8,9-dimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol
CP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	45A	5'-o-[(s)-hydroxy(methyl)phosphoryl]adenosine
CC(=O)N1CCN(CC1)C(=O)Cc2ccc(cc2)Nc3ncc(c(n3)Nc4ccc(cc4)C(=O)Nc5ccccc5Cl)F	45B	4-{[2-({4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl}amino)-5-fluoropyrimidin-4-yl]amino}-n-(2-chlorophenyl)benzamide
c1c(c(cc(c1Cl)Cl)O)O	45C	4,5-dichlorobenzene-1,2-diol
CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)CCC2(C)C)C)\C)\C)/C)/C	45D	beta,beta-carotene-4,4'-dione
Cc1cccc(c1)OCC(=O)N2CCN(CC2)C(=O)c3cccc(c3OC)OC	45E	1-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
C#CCO[C@H]1C[C@H](NC1)C(=O)O	45F	(4s)-4-(prop-2-yn-1-yloxy)-l-proline
CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)CCC2(C)C)C)\C)\C)/C)/C	45H	beta,beta-carotene-4,4'-dione
c1ccc(cc1)CCNS(=O)(=O)c2cc(ccc2C(=O)O)S(=O)(=O)N	45I	2-[(2-phenylethyl)sulfamoyl]-4-sulfamoylbenzoic acid
B1(c2c(ccs2)C(=NN1C)Cl)O	45J	4-chloro-2-methylthieno[2,3-d][1,2,3]diazaborinin-1(2h)-ol
c1cc2c(cc1N/C=C\3/c4c(ccc5c4scn5)NC3=O)CS(=O)(=O)C2	45K	(8z)-8-{[(2,2-dioxido-1,3-dihydro-2-benzothiophen-5-yl)amino]methylidene}-6,8-dihydro-7h-[1,3]thiazolo[5,4-e]indol-7-one
Cc1cccc(c1)C(=O)NN	45L	3-methylbenzohydrazide
c1cc(ccc1C(=O)NNC2=NCCC2)Br	45M	4-bromo-n'-(3,4-dihydro-2h-pyrrol-5-yl)benzohydrazide
c1cc2c(cc1CNC3CCCC3)OCO2	45N	n-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine
C[C@@H]1C[C@@H](CN(C1)Cc2nc(nc(n2)N(C)C)N)C	45O	6-{[(3r,5s)-3,5-dimethylpiperidin-1-yl]methyl}-n,n-dimethyl-1,3,5-triazine-2,4-diamine
c1cc(cc(c1)n2nc3c(n2)nc(nc3O)N)C(=O)NCc4cc(cc(c4)Cl)Cl	45P	3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-n-(3,5-dichlorobenzyl)-benzamide
Cc1cc(ccc1N)c2cc([nH]n2)NC(=O)c3ccc(cc3)CN4CCN(CC4)C	45Q	n-[3-(4-amino-3-methylphenyl)-1h-pyrazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
COc1cc(ccc1C(=O)Nc2ccc3c(c2)CC[NH2+]CC3)c4c[nH]nc4	45R	7-{[2-methoxy-4-(1h-pyrazol-4-yl)benzoyl]amino}-2,3,4,5-tetrahydro-1h-3-benzazepinium
Cc1ccc([nH]1)C(=O)N2CCC[C@H]2C(=O)NCc3cc(ccc3CN)Cl	45S	n-[2-(aminomethyl)-5-chlorobenzyl]-1-[(5-methyl-1h-pyrrol-2-yl)carbonyl]-l-prolinamide
c1nc2c(n1C[C@@H](COCCP(=O)(O)O)OCCP(=O)(O)O)N=C(NC2=O)N	45T	{[(2s)-3-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)propane-1,2-diyl]bis(oxyethane-2,1-diyl)}bis(phosphonic acid)
[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)COC3CCCC3)\N	45U	(s)-n-(4-carbamimidoylbenzyl)-1-(2-(cyclopentyloxy)ethanoyl)pyrrolidine-2-carboxamide
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N(C)C	45V	2-[(1s)-2-acetyl-1,2-dihydroisoquinolin-1-yl]-n,n-dimethylacetamide
C#CO[C@H]1C[C@@H](NC1)C(=O)O	45W	(4s)-4-(ethynyloxy)-d-proline
c1cc(cnc1)CCN	45X	2-(pyridin-3-yl)ethanamine
c1cc(ccc1CC(=O)NN)F	45Y	2-(4-fluorophenyl)acetohydrazide
c1cc(c(cc1[N+](=O)[O-])C#N)Oc2ccc(cc2Oc3ccc(cc3C#N)[N+](=O)[O-])F	45Z	2,2'-[(4-fluorobenzene-1,2-diyl)bis(oxy)]bis(5-nitrobenzonitrile)
Cc1cccc(n1)C2=C(CNN2)c3ccc4c(n3)cccn4	460	2-[5-(6-methylpyridin-2-yl)-2,3-dihydro-1h-pyrazol-4-yl]-1,5-naphthyridine
C[C@H](c1ccc(c(c1)F)N2CC[C@@H](C2=O)NS(=O)(=O)\C=C\c3ccc(s3)Cl)N(C)C	461	(e)-2-(5-chlorothiophen-2-yl)-n-[(3s)-1-{4-[(1r)-1-(dimethylamino)ethyl]-2-fluorophenyl}-2-oxopyrrolidin-3-yl]ethenesulfonamide
[H]/N=C(\N)/NC(=O)Cc1c(csc1c2ccccc2Cl)c3ccc(cc3)OCCC	462	n-[amino(imino)methyl]-2-[2-(2-chlorophenyl)-4-(4-propoxyphenyl)-3-thienyl]acetamide
CC(=O)Nc1cccc(c1)CN	463	n-[3-(aminomethyl)phenyl]acetamide
c1cc(cc(c1)C(=O)NCCN2CCCCC2)c3cc([nH]c3)CC4=C5C=C(C=CC5=NC4=O)NC(=O)N	464	3-[5-({5-[(aminocarbonyl)amino]-2-oxo-2h-indol-3-yl}methyl)-1h-pyrrol-3-yl]-n-(2-piperidin-1-ylethyl)benzamide
CN1c2c3c(cc(nc3c(c(c2N)Cl)N=C)C(=O)N)C1=O	465	8-amino-7-chloro-1-methyl-6-(methylideneamino)-2-oxo-1,2-dihydropyrrolo[4,3,2-de]quinoline-4-carboxamide
CCOc1cccc(c1)c2ccc3c(c2)[nH]nc3NC(=O)c4ccccc4	466	n-[6-(3-ethoxyphenyl)-1h-indazol-3-yl]benzamide
CC(C)(C(=O)NCC(F)(F)F)Nc1c(cnc(n1)c2c[nH]c3c2cc(cn3)Cl)F	467	n~2~-[2-(5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-2-methyl-n-(2,2,2-trifluoroethyl)-d-alaninamide
Cc1c(cccc1Cl)NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3	468	(3s)-n-(3-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
C[C@@H]1C[N@]([C@H](CN1C(=O)c2cc3c(cc2Cl)n(cc3C(=O)C(=O)N(C)C)C)C)Cc4ccc(cc4)F	469	2-(6-chloro-5-{[(2r,5s)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl]carbonyl}-1-methyl-1h-indol-3-yl)-n,n-dimethyl-2-oxoacetamide
CCCCN(Cc1ccc(cc1)c2ccccc2c3n[nH]nn3)c4nc(cc(n4)C)C	46A	n-butyl-4,6-dimethyl-n-{[2'-(2h-tetrazol-5-yl)biphenyl-4-yl]methyl}pyrimidin-2-amine
CCCCNc1c(nc2n1cc(cc2)Br)c3ccc(cc3)OCC(=O)O	46B	{4-[6-bromo-3-(butylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy}acetic acid
CCC(=O)C1=C(c2cc(ccc2C(=O)N1Cc3ccc(cc3)C(=O)O)Cl)c4ccccc4	46C	4-[(6-chloro-1-oxo-4-phenyl-3-propanoylisoquinolin-2(1h)-yl)methyl]benzoic acid
C[C@@]1(OC[C@@H]2[C@@H](O1)[C@@H]([C@@H]([C@@H](O2)O[C@H]3[C@@H]([C@H]([C@@H](O[C@@H]3C(=O)O)O)O)O)O)O)C(=O)O	46D	(4ar,6r,7s,8r,8ar)-8-((5r,6r)-3-carboxy-tetrahydro-4,5,6-trihydroxy-2h-pyran-2-yloxy)-hexahydro-6,7-dihydroxy-2-methylpyrano[3,2-d][1,3]dioxine-2-carboxylic acid)
CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC	46E	(2r)-3-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl tetradecanoate
COc1ccc(cc1)CNC(=O)[C@H]2CN(CCN2S(=O)(=O)c3ccc(cc3)OC(F)(F)F)c4ccc(nn4)Cl	46F	(2r)-4-(6-chloropyridazin-3-yl)-n-(4-methoxybenzyl)-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazine-2-carboxamide
Cc1cc(on1)c2cc(c3nnc(n3c2)[C@@](C)(c4ccc5c(c4)cc(cn5)OC)F)F	46G	6-{(1r)-1-fluoro-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}-3-methoxyquinoline
C1CCN(CC1)C(=O)[C@H]2CCCNC2	46H	(3s)-piperidin-3-yl(piperidin-1-yl)methanone
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	46I	beta-d-glucopyranosyl 1,3,4,6-tetrakisphosphate
C1CCN(CC1)C(=O)[C@@H]2CCCNC2	46J	(3r)-piperidin-3-yl(piperidin-1-yl)methanone
CC(=O)NS(=O)(=O)c1ccc(cc1)N/C=C\2/c3c(ccc4c3scn4)NC2=O	46K	n-[(4-{[(z)-(7-oxo-6,7-dihydro-8h-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}phenyl)sulfonyl]acetamide
CN(C)c1ccc(cn1)C(=O)O	46L	6-(dimethylamino)pyridine-3-carboxylic acid
C[C@@]1(OC[C@@H]2[C@@H](O1)[C@@H]([C@@H]([C@@H](O2)O)O)O)C(=O)O	46M	(4ar,6r,7s,8r,8as)-hexahydro-6,7,8-trihydroxy-2-methylpyrano[3,2-d][1,3]dioxine-2-carboxylic acid
c1cc2c(cc1[C@H]3CCCN3)OCCO2	46O	(2r)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine
Cc1c(sc(n1)N)c2nccn2C	46P	4-methyl-5-(1-methyl-1h-imidazol-2-yl)-1,3-thiazol-2-amine
CC[C@](C)(CN)N1CCOCC1	46Q	(2r)-2-methyl-2-(morpholin-4-yl)butan-1-amine
c1conc1C(=O)NCC(F)(F)F	46R	n-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide
Cc1cc(ncn1)N2CCCCCC2	46S	1-(6-methylpyrimidin-4-yl)azepane
CC(C)/N=C/1\CC=CC=C\C1=N/C(C)C	46T	(1e,2e)-n,n'-di(propan-2-yl)cyclohepta-3,5-diene-1,2-diimine
[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)COC3CCCCC3)\N	46U	(s)-n-(4-carbamimidoylbenzyl)-1-(2-(cyclohexyloxy)ethanoyl)pyrrolidine-2-carboxamide
CNC(=S)Nc1ccc(cc1Cl)Br	46V	1-(4-bromo-2-chlorophenyl)-3-methylthiourea
[H]/N=C(\N)/N1CCC(CC1)C	46W	4-methylpiperidine-1-carboximidamide
C1CCN(C1)c2c(c(n[nH]2)N)C#N	46X	3-amino-5-(pyrrolidin-1-yl)-1h-pyrazole-4-carbonitrile
Cc1cc(nc(c1C#N)NCCCN2CCOCC2)C	46Y	4,6-dimethyl-2-{[3-(morpholin-4-yl)propyl]amino}pyridine-3-carbonitrile
c1ccc(cc1)CCO[P@](=O)(O)O[C@@H]2[C@H]([C@@H]([C@H](O2)O)F)O	46Z	(2r,3r,4s,5s)-4-fluoro-3,5-dihydroxytetrahydrofuran-2-yl 2-phenylethyl hydrogen (s)-phosphate
CCC/C=C(\CCC)/C1=C([C@@]2(CCC[C@@H]2C1)Nc3ccccc3)c4ccccc4	470	(3as,6ar)-5-[(4e)-oct-4-en-4-yl]-n,4-diphenyl-2,3,6,6a-tetrahydropentalen-3a(1h)-amine
CCC(=O)NC[C@H](Cc1ccc(cc1)OCCc2c(oc(n2)c3ccccc3)C)N/C(=C\C(=O)c4ccc(cc4)C(F)(F)F)/C	471	n-((2s)-2-({(1z)-1-methyl-3-oxo-3-[4-(trifluoromethyl) phenyl]prop-1-enyl}amino)-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl}propyl)propanamide
CN1C(=O)[C@@](N=C1N)(c2ccncc2)c3cccc(c3)c4cccnc4	472	(5s)-2-amino-3-methyl-5-pyridin-4-yl-5-(3-pyridin-3-ylphenyl)-3,5-dihydro-4h-imidazol-4-one
CN(C)C(=O)[C@@H](C1CCC(CC1)c2ccc3ncnn3c2)[C@@H](C(=O)N4CCC(C4)(F)F)N	474	(2s,3s)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-n,n-dimethyl-4-oxo-2-(trans-4-[1,2,4]triazolo[1,5-a]pyridin-6-ylcyclohexyl)butanamide
c1ccnc(c1)NC(=O)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	475	n-[oxo(pyridin-2-ylamino)acetyl]-beta-d-glucopyranosylamine
CCCCc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O	476	3-butyl-1-(2,2-diphosphonoethyl)pyridinium
CCC(CC)(c1ccc2cc([nH]c2c1)c3c4c(cc(s4)C(F)F)n[nH]3)O	477	3-{2-[5-(difluoromethyl)-2h-thieno[3,2-c]pyrazol-3-yl]-1h-indol-6-yl}pentan-3-ol
CC(C)C[N@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCOC2)O)S(=O)(=O)c3ccc(cc3)N	478	{3-[(4-amino-benzenesulfonyl)-isobutyl-amino]-1-benzyl-2-hydroxy-propyl}-carbamic acid tetrahydro-furan-3-yl ester
C[C@@H](c1cccnc1)NC(=O)CCC(=O)c2cccs2	479	4-oxo-n-[(1s)-1-(pyridin-3-yl)ethyl]-4-(thiophen-2-yl)butanamide
c1cc(ccc1C(=O)CN)Br	47A	2-amino-1-(4-bromophenyl)ethanone
c1cc(c(cc1c2cn3ccnc3nn2)F)F	47B	3-(3,4-difluorophenyl)imidazo[2,1-c][1,2,4]triazine
C=CCONC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	47C	2'-deoxy-n-(prop-2-en-1-yloxy)cytidine 5'-(dihydrogen phosphate)
c1cc2c(cc1Cl)nc(s2)CN3C(=O)C=CN(C3=O)CC(=O)O	47D	{3-[(5-chloro-1,3-benzothiazol-2-yl)methyl]-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl}acetic acid
c1cc(cc(c1)Cl)[C@H](C(=O)O)O	47E	(2r)-(3-chlorophenyl)(hydroxy)ethanoic acid
CC(=O)Nc1ccc(cc1)c2csc(n2)Nc3ccccc3	47F	n-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]acetamide
COc1ccc(cc1O)CN	47G	5-(aminomethyl)-2-methoxyphenol
CC1=CC(Nc2c1cc3c(c2)OCO3)(C)C	47H	6,6,8-trimethyl-5,6-dihydro[1,3]dioxolo[4,5-g]quinoline
c1cc(ccc1c2c3ccc(cc3[nH]n2)c4ccc(cc4)O)N5CC[NH2+]CC5	47I	4-[3-(4-piperazin-4-ium-1-ylphenyl)-1h-indazol-6-yl]phenol
Cc1cc(n(n1)C)CN	47J	1-(1,3-dimethyl-1h-pyrazol-5-yl)methanamine
CC1CCN(CC1)CC(=O)Nc2cc(no2)C(C)C	47K	2-(4-methylpiperidin-1-yl)-n-[3-(propan-2-yl)-1,2-oxazol-5-yl]acetamide
C1CCC(CC1)C(=O)NC[C@H]2CCCO2	47L	n-[(2r)-tetrahydrofuran-2-ylmethyl]cyclohexanecarboxamide
c1cc(oc1CN)C(F)(F)F	47M	1-[5-(trifluoromethyl)furan-2-yl]methanamine
C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@@H](O2)O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)O)CO)O)O)O	47N	neoagarobiose
C[C@@H](C1CC1)N(C)CC2=Nc3ccccc3C(=O)N2	47P	2-({[(1s)-1-cyclopropylethyl](methyl)amino}methyl)quinazolin-4(3h)-one
c1ccnc(c1)CNc2ccc3c(c2)NC(=O)N3	47Q	5-[(pyridin-2-ylmethyl)amino]-1,3-dihydro-2h-benzimidazol-2-one
[H]/N=C(/C)\N(CC)CC	47R	(1z)-n,n-diethylethanimidamide
CN(C)c1cccc(c1)C(=O)NN	47S	3-(dimethylamino)benzohydrazide
CC1CCC(CC1)NC(=O)[C@H]2CCCO2	47T	(2r)-n-(trans-4-methylcyclohexyl)tetrahydrofuran-2-carboxamide
Cc1c(c(n(n1)C)C)CC(=O)Nc2ccccn2	47U	n-(pyridin-2-yl)-2-(1,3,5-trimethyl-1h-pyrazol-4-yl)acetamide
Cc1cc(c(o1)C)C(=O)Nc2ccncc2	47V	2,5-dimethyl-n-(pyridin-4-yl)furan-3-carboxamide
COc1cc(ccc1C[NH+]2CC[NH2+]CC2)OCC#Cc3ccc4ccncc4c3	47W	1-(4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}-2-methoxybenzyl)piperazinediium
c1cc(c(cc1C2=COc3cc(ccc3C2=O)O)O)O	47X	3-(3,4-dihydroxyphenyl)-7-hydroxy-4h-chromen-4-one
[H]/N=C/1\c2c(c(oc2N=CN1CCCN(C)C)C)C	47Y	3-[(4e)-4-imino-5,6-dimethylfuro[2,3-d]pyrimidin-3(4h)-yl]-n,n-dimethylpropan-1-amine
CC(C)[C@@H](c1ncnn1C)N	47Z	(1s)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CCCCCCCC(=O)OC[C@H](CO)O	480	(2s)-2,3-dihydroxypropyl octanoate
CC(C)(C)c1ccc(cc1)C(=O)Nc2cccc(c2)c3cn4ccnc4c(n3)Nc5ccc(cc5)C(=O)N6CCN(CC6)C	481	4-tert-butyl-n-{3-[8-({4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}amino)imidazo[1,2-a]pyrazin-6-yl]phenyl}benzamide
CCCC(=O)CC(=O)N[C@H]1CCOC1=O	482	3-oxo-n-[(3s)-2-oxotetrahydrofuran-3-yl]hexanamide
CC1CCC(CC1)NC(=O)Cn2ccnc2	483	2-(1h-imidazol-1-yl)-n-(trans-4-methylcyclohexyl)acetamide
CCCc1cc(ccc1c2cc(ccc2C)CCc3ccc(c(c3)CO)CO)C(CC)(CC)O	484	3-(5'-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}-2'-methyl-2-propylbiphenyl-4-yl)pentan-3-ol
C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(cc2)O)N)O)O)O	485	[2-amino-3-(4-hydroxy-phenyl)-propionylamino]- (3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yl)- acetic acid
CC#C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)c5ccc(cc5)N(C)C)C)O	486	11-(4-dimethylamino-phenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,13,14,15,16,17-dodec ahydro-cyclopenta[a]phenanthren-3-one
C[C@@H](c1nc(nc(n1)N(C)C)N)N2CCCCCC2	487	6-[(1s)-1-(azepan-1-yl)ethyl]-n,n-dimethyl-1,3,5-triazine-2,4-diamine
CN1[C@@H](CS[C@@H]1[C@H]2CSC(=N2)c3ccccc3O)C(=O)O	488	(2r,4r)-2-[(4r)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-3-methyl-1,3-thiazolidine-4-carboxylic acid
c1cc(ccc1[C@@H](CN)O)F	489	(1s)-2-amino-1-(4-fluorophenyl)ethanol
c1ccc(c(c1)C(=O)Nc2ccc(cc2)Nc3c(cnc(n3)Nc4ccc(cc4)O)F)Cl	48B	2-chloro-n-[4-({5-fluoro-2-[(4-hydroxyphenyl)amino]pyrimidin-4-yl}amino)phenyl]benzamide
C[C@H](C(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)N	48C	5'-(d-alanylamino)-5'-deoxyuridine
C[C@H]1/C=C(/CCC(=O)CCCC/C=C/[C@@H]([C@H]1O)OC)\C	48D	(4e,6s,7s,8s,9e)-7-hydroxy-8-methoxy-4,6-dimethylcyclotetradeca-4,9-dien-1-one
c1ccc(cc1)c2cn(nn2)[C@H](CO)C(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O	48E	5'-deoxy-5'-{[(2r)-3-hydroxy-2-(4-phenyl-1h-1,2,3-triazol-1-yl)propanoyl]amino}uridine
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@H]([C@H](C(=O)CO)O)O)O)O)N	48F	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3r)-2,3,5-tris(oxidanyl)-4-oxidanylidene-pentyl] hydrogen phosphate
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)Nc2cccc3c2cccc3)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	48G	n-[(2s,3s,4r)-3,4-dihydroxy-1-{[6-o-(naphthalen-1-ylcarbamoyl)-alpha-d-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide
C/C(=N\CC(=O)O)/C(=O)[C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O	48H	2-[(e)-[(4r)-5-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-3-oxidanylidene-pentan-2-ylidene]amino]ethanoic acid
c1cc(c(cc1CN2C(=O)C=CN(C2=O)CC(=O)O)[N+](=O)[O-])Cl	48I	[3-(4-chloro-3-nitrobenzyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl]acetic acid
C(C(=O)O)(O)O	48J	dihydroxyacetic acid
CN(C)CCNS(=O)(=O)c1ccc(cc1)N/C=C\2/c3ccccc3NC2=O	48K	n-[2-(dimethylamino)ethyl]-4-{[(z)-(2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]amino}benzenesulfonamide
CC(C)Oc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)c4ccc(cc4)Cl)c5cc(ccc5F)Br)OC	48L	4-({(4s,5r)-4-(5-bromo-2-fluorophenyl)-5-(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1h-imidazol-1-yl}carbonyl)piperazin-2-one
CC(C)Oc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)c4ccc(cc4)Cl)c5cccc(c5)Cl)C#N	48M	4-[(4s,5r)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-1-(3-oxidanylidenepiperazin-1-yl)carbonyl-4,5-dihydroimidazol-2-yl]-3-propan-2-yloxy-benzenecarbonitrile
C[C@@H](C(=O)[C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O)/N=C/C(=O)O	48N	(2e)-2-[(2s,4r)-5-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-3-oxidanylidene-pentan-2-yl]iminoethanoic acid
CC(C(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)N=[N+]=N	48O	5'-deoxy-5'-{[(2s)-2-(triaza-1,2-dien-2-ium-1-yl)propanoyl]amino}uridine
C1[C@H]([C@@H](C(=C[C@]1(C(=O)O)O)CO)O)O	48P	(1r,4r,5r)-1,4,5-trihydroxy-3-hydroxymethylcyclohex-2-ene-1-carboxylic acid
CCCN(CCC)C(=O)c1cc(cc(c1)N2CCCCC2)C(=O)N/C(=C\c3ccccc3)/[C@@H](CNC(C)(C)c4cccc(c4)OC)O	48Q	~{n}1-[(~{z},3~{r})-4-[2-(3-methoxyphenyl)propan-2-ylamino]-3-oxidanyl-1-phenyl-but-1-en-2-yl]-5-piperidin-1-yl-~{n}3,~{n}3-dipropyl-benzene-1,3-dicarboxamide
C[C@H](CON=C1c2ccccc2-c3c1cccc3)C(=O)NS(=O)(=O)C	48R	(2r)-3-[(9h-fluoren-9-ylideneamino)oxy]-2-methyl-n-(methylsulfonyl)propanamide
Cc1ccc(cc1)[C@@H](CC(=O)N(C)O)CP(=O)(O)O	48S	[(2r)-4-[hydroxy(methyl)amino]-2-(4-methylphenyl)-4-oxobutyl]phosphonic acid
c1ccc(cc1)c2ccc(cc2)C(=O)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	48T	l-gamma-glutamyl-s-(2-biphenyl-4-yl-2-oxoethyl)-l-cysteinylglycine
CN(C)C(=O)c1ccc(c(c1)F)N2CC[C@@H](C2=O)NS(=O)(=O)/C=C/c3ccc(s3)Cl	48U	4-[(3s)-3-({[(e)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}amino)-2-oxopyrrolidin-1-yl]-3-fluoro-n,n-dimethylbenzamide
C([C@@H](C(=O)N)N)SCC(=O)O	48V	{[(2r)-2,3-diamino-3-oxopropyl]sulfanyl}acetic acid
C[C@@H](C(=O)N1CCC(=O)N(CC1)C)N2CC[C@@H](C2=O)NS(=O)(=O)c3ccc4cc(ccc4c3)Cl	48W	6-chloro-n-{(3s)-1-[(2s)-1-(4-methyl-5-oxo-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulf onamide
C(COP(=O)(O)O)C(=O)O	48X	3-(phosphonooxy)propanoic acid
C(CC(=O)O)[C@@H]([C@H](C(=O)O)O)C(=O)O	48Y	(1r,2s)-1-hydroxybutane-1,2,4-tricarboxylic acid
C([C@@H]1[C@H]([C@@H]([C@H](O1)O)F)O)O[P@](=O)(O)S	48Z	2-deoxy-2-fluoro-5-o-thiophosphono-alpha-d-arabinofuranose
Cn1cc(c(n1)COc2ccc(cc2)c3cccc4c3ncn4C)C5=CN(C(=O)C=C5)C	490	1-methyl-5-(1-methyl-3-{[4-(1-methyl-1h-benzimidazol-4-yl)phenoxy]methyl}-1h-pyrazol-4-yl)pyridin-2(1h)-one
C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)(O)O)NC(=O)C	491	2-acetamido-3-o-[(1r)-1-carboxyethyl]-2-deoxy-1-o-phosphono-alpha-d-glucopyranose
c1cc(sc1)c2ccc(s2)CN	492	1-(2,2'-bithiophen-5-yl)methanamine
CC(=O)N[C@@H](Cc1ccc(c(c1)P(=O)(O)O)OCC(=O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4	493	{4-[2-acetylamino-2-(1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]-2-phosphono-phenoxy}-acetic acid
c1cc(c(cc1Cl)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)Cl)/C=C/C#N	494	(2e)-3-(3-chloro-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile
c1ccc2c(c1)C(=O)NN=C2Cl	495	4-chlorophthalazin-1(2h)-one
c1c(c(nn1CC(=O)Nc2c(c3c(s2)CCCC3)C(=O)N)C(F)(F)F)CO	496	2-({[4-(hydroxymethyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CC[C@H]1CNCc2c1cc(cc2)NC(=O)c3ccc4cc(ccc4c3)C(=N)N	497	6-[amino(imino)methyl]-n-[(4r)-4-ethyl-1,2,3,4-tetrahydroisoquinolin-6-yl]-2-naphthamide
c1cc(ccc1n2c(cnn2)C34C5=C6[Ru]5378912(C6=C74)C3C8=C9C1=C23)S(=O)(=O)N	498	p-(5-ruthenocenyl-1h-1,2,3-triazol-1-yl)benzenesulfonamide
c1ccc2c(c1)c(c[nH]2)c3cc4c(c[nH]c4nc3)c5nnc(o5)N	499	5-[5-(1h-indol-3-yl)-1h-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-amine
CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CN)O)O)C(=O)O)N	49A	4,9-amino-2,4-deoxy-2,3-dehydro-n-acetyl-neuraminic acid
c1ccc2c(c1)cc(cn2)c3cc(c(nc3)N)C4=NNC(=S)O4	49B	5-[2-amino-5-(quinolin-3-yl)pyridin-3-yl]-1,3,4-oxadiazole-2(3h)-thione
c1ccc2c(c1)CC[C@@]23CC(=C(C(=O)O3)Sc4ccccc4Cl)O	49C	(1r)-5'-[(2-chlorophenyl)sulfanyl]-4'-hydroxy-2,3-dihydrospiro[indene-1,2'-pyran]-6'(3'h)-one
C[C@@H](c1ccc(cc1)Cl)NC2=Nc3c(cnn3C4CCCC4)C(=O)N2	49D	6-{[(1s)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
CC(c1ccc(cc1)Cl)NC2=Nc3c(cnn3C4CCCC4)C(=O)N2	49E	6-{[(1r)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
COCC[C@@H]1CCCN1	49F	(2s)-2-(2-methoxyethyl)pyrrolidine
Cn1ccc(n1)CNCCc2ccccc2	49G	n-[(1-methyl-1h-pyrazol-3-yl)methyl]-2-phenylethanamine
CC(C)Oc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)c4ccc(cc4)Cl)c5cccc(c5)Cl)OC	49H	4-({(4s,5r)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1h-imidazol-1-yl}carbonyl)piperazin-2-one
c1ccc(cc1)C(=O)Nc2c(c(cs2)[C@@H]3CCc4ccccc4C3)C(=O)O	49I	2-benzamido-4-[(2~{r})-1,2,3,4-tetrahydronaphthalen-2-yl]thiophene-3-carboxylic acid
COc1cc(ccc1N)c2cc3c(c(sn3)N4CCOCC4)nc2	49J	2-methoxy-4-[3-(morpholin-4-yl)[1,2]thiazolo[4,3-b]pyridin-6-yl]aniline
CN(CCN)Cc1cn[nH]c1c2ccc(cc2)F	49K	n-{[5-(4-fluorophenyl)-1h-pyrazol-4-yl]methyl}-n-methylethane-1,2-diamine
CNCCN(C)Cc1c[nH]nc1c2ccc(cc2)OC3CC(C3)OCCC4CCOCC4	49L	n,n'-dimethyl-n-({3-[4-({trans-3-[2-(tetrahydro-2h-pyran-4-yl)ethoxy]cyclobutyl}oxy)phenyl]-1h-pyrazol-4-yl}methyl)ethane-1,2-diamine
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](/C=C/[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	49M	(1r)-1,5-anhydro-1-[(1e,3s,4s,5r)-4,5-dihydroxy-3-(nonacosanoylamino)nonadec-1-en-1-yl]-d-galactitol
c1cc(c(nc1)N2CCNCC2)C(F)(F)F	49N	1-[3-(trifluoromethyl)pyridin-2-yl]piperazine
c1cc(c(nc1)N2CCNCC2)C#N	49O	2-(piperazin-1-yl)pyridine-3-carbonitrile
c1cc(cc(c1)n2cc(cn2)O)C(F)(F)F	49P	1-[3-(trifluoromethyl)phenyl]-1h-pyrazol-4-ol
c1ccc(cc1)COc2ccc(cc2)CCCO	49Q	3-[4-(benzyloxy)phenyl]propan-1-ol
CC(C)(C)OC(=O)N[C@@H]1Cc2ccccc2NC1	49R	tert-butyl (3r)-1,2,3,4-tetrahydroquinolin-3-ylcarbamate
CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@H]1O)C(=O)O)O)O	49S	2-acetamido-2-deoxy-beta-d-mannopyranuronic acid
C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)NC(=O)C)O)O	49T	2-acetamido-2-deoxy-alpha-d-fucopyranose
[H]/N=C(\c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CCC3CCCC3)/N	49U	(s)-n-(4-carbamimidoylbenzyl)-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide
CC(=O)N[C@H]1[C@H](C=C(OC1O)C(=O)O)O	49V	2-acetamido-2,4-dideoxy-alpha-l-erythro-hex-4-enopyranuronic acid
CCCN(CCC)C(=O)c1cc(cc(c1)N2CC=CC=C2)C(=O)N[C@@H](Cc3ccccc3)[C@H](CNC(C)(C)c4ccccn4)O	49W	n'-[(2s,3s)-3-hydroxy-1-phenyl-4-{[2-(pyridin-2-yl)propan-2-yl]amino}butan-2-yl]-n,n-dipropyl-5-(pyridin-1(2h)-yl)benzene-1,3-dicarboxamide
CCCCCCCCCCCCCC[C@H]([C@H]([C@H](/C=C/[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCc2ccccc2)O)O	49X	(1r)-1,5-anhydro-1-{(1e,3s,4s,5r)-4,5-dihydroxy-3-[(8-phenyloctanoyl)amino]nonadec-1-en-1-yl}-d-galactitol
CCCCCCCCCCCCCC[C@@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CC/C=C\CCCC[C@@H]2C[C@H]2CCCCCCCCCC)O)O	49Y	(4z)-9-[(1r,2r)-2-decylcyclopropyl]-n-[(2s,3s,4s)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]non-4-enamide
Cc1ccc(s1)CNCCc2ccccc2F	49Z	2-(2-fluorophenyl)-n-[(5-methylthiophen-2-yl)methyl]ethanamine
c1ccc(c(c1)CNCCC23CC4CC(C2)CC(C4)C3)O	4A0	2-[({2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]ethyl}amino)methyl]phenol
CCCS(=O)(=O)Nc1ccccc1C(=O)O	4A1	2-[(propylsulfonyl)amino]benzoic acid
COc1ccc(cc1F)/N=C/2\Nc3cc(ccc3N2Cc4ccccc4C(F)(F)F)C(=O)O	4A2	(2e)-2-(3-fluoranyl-4-methoxy-phenyl)imino-1-[[2-(trifluoromethyl)phenyl]methyl]-3h-benzimidazole-5-carboxylic acid
c1cc(c(cc1C(=O)O)O)N	4A3	4-amino-3-hydroxybenzoic acid
c1c(c(nn1CC(=O)O)C2CC2)Br	4A5	(4-bromo-3-cyclopropyl-1h-pyrazol-1-yl)acetic acid
CC(=C12=C3[Ru]1456C2=C4C5(=C63)=C)C	4A6	[(1,2,3,4,5,6-eta)-1-methyl-4-(propan-2-yl)benzene]ruthenium
CN1c2ccc(cc2CCC1=O)NS(=O)(=O)c3ccc(cc3OC)OC	4A7	2,4-dimethoxy-n-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide
CN1c2ccc(cc2N(C1=O)C)NS(=O)(=O)c3ccc(cc3)OC	4A8	n-(1,3-dimethyl-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)-4-methoxybenzenesulfonamide
Cc1nc(cc(n1)N2CCN(CC2)CCO)Nc3ncc(s3)C(=O)Nc4cccc(c4)NC(=O)c5cccc(c5)C(F)(F)F	4A9	2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-n-(3-{[3-(trifluoromethyl)benzoyl]amino}phenyl)-1,3-thiazole-5-carboxamide
c1cc(c(c(c1C(=O)O)N)O)Cl	4AA	4-chloro-3-hydroxyanthranilic acid
C[C@@H]([C@@H]([C@H]1CNc2c(c(nc(n2)N)N)N1)O)O	4AB	2,4-diamino-6-[2,3-dihydroxy-prop-3-yl]-5,6,7,8-tetrahydropteridine
CC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	4AC	n(4)-acetylcytidine-5'-monophosphate
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)[C@H](CC(=O)N)[NH3+])O)O)N	4AD	4-amino-1,4-dioxobutan-2-aminium adenosine-5'-monophosphate
CN1c2cc(c(cc2N(C1=O)C)Oc3ccc(cc3)OC)NS(=O)(=O)c4ccccc4	4AE	n-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl]benzenesulfonamide
CC(=O)c1ccc(cc1)C[C@@H](C(=O)O)N	4AF	4-acetyl-l-phenylalanine
CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCCCCCCCCCC	4AG	(2r)-3-hydroxypropane-1,2-diyl dihexadecanoate
CC(C)(C)[C@@H](C(=O)N[N@](Cc1ccc(cc1)c2cccnc2)C[C@@](Cc3ccccc3)(C(=O)N[C@H]4c5ccccc5C[C@H]4O)O)NC(=O)OC	4AH	{(1s)-1-[n'-[(2s)-2-hydroxy-2-((1s,2r)-2-hydroxy-indan-1-ylcarbamoyl)-3-phenyl-propyl]-n'-[4-(pyridine-2-yl)-benzyl]-hydrazinocarbonyl]-2,2-dimethyl-propyl}-carbamic acid methyl ester
[H]/N=C(/N)\NCCC[C@@H](C(=O)NCC1CCCCC1)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)CCC(=O)c4ccccc4	4AI	(3s)-n-[(2s)-5-carbamimidamido-1-(cyclohexylmethylamino)-1-oxidanylidene-pentan-2-yl]-2-(4-oxidanylidene-4-phenyl-butanoyl)-3,4-dihydro-1h-isoquinoline-3-carboxamide
c1cc(cc(c1)O)c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl	4AJ	2,6-dichloro-4-[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
C(CCNS(=O)(=O)O)C[C@@H](C(=O)O)N	4AK	n~6~-sulfo-l-lysine
c1cc(ccc1CN)CO	4AL	[4-(aminomethyl)phenyl]methanol
CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)N	4AM	4-amino-2-deoxy-2,3-dehydro-n-acetyl-neuraminic acid
c1cc2c(ccc3c2c(c1)C(=O)NC3=O)N	4AN	6-amino-benzo[de]isoquinoline-1,3-dione
CCOc1c2cccc(c2nc(n1)N=C(N)N)C	4AO	2-(4-ethoxy-8-methylquinazolin-2-yl)guanidine
c1c[nH+]ccc1N	4AP	4-aminopyridine
Cn1cccc1CNCCc2c[nH]c3c2cccc3	4AQ	2-(1h-indol-3-yl)-n-[(1-methyl-1h-pyrrol-2-yl)methyl]ethanamine
Cc1cccc(c1C(=O)OCC(=O)[C@H](CCCNC(=[NH2+])N)N)C	4AR	amino({(4s)-4-amino-6-[(2,6-dimethylbenzoyl)oxy]-5-oxohexyl}amino)methaniminium
CNCc1nccn1C	4AS	n-methyl-1-(1-methyl-1h-imidazol-2-yl)methanamine
CC(=O)CCCC(=O)O	4AT	5-oxohexanoic acid
c1ccc2c(c1)[nH]c(n2)C(=O)c3ccc[nH]3	4AU	1h-benzimidazol-2-yl(1h-pyrrol-2-yl)methanone
CNCc1cc(ccc1Cl)[N+](=O)[O-]	4AV	1-(2-chloro-5-nitrophenyl)-n-methylmethanamine
c1cc2c(c(c[nH]2)C[C@@H](C(=O)O)N)nc1	4AW	4-azatryptophan
C1[C@H](C(=O)NO1)N	4AX	(r)-4-amino-isoxazolidin-3-one
c1cc(ccc1CBr)C(=O)O	4AY	4-(bromomethyl)benzoic acid
c1cc(ccc1CN)C(=O)O	4AZ	4-(aminomethyl)benzoic acid
C(Cn1c2c(c(c(c(c2Br)Br)Br)Br)nn1)CO	4B0	3-(4,5,6,7-tetrabromo-1h-benzotriazol-1-yl)propan-1-ol
c1ccc(cc1)CN([C@H]2CNC[C@@H]2N(Cc3ccccc3)S(=O)(=O)c4cccc(c4)[N+](=O)[O-])S(=O)(=O)c5ccc(cc5)[N+](=O)[O-]	4B1	n-benzyl-n-[(3s,4s)-4-{benzyl[(4-nitrophenyl)sulfonyl]amino}pyrrolidin-3-yl]-3-nitrobenzenesulfonamide
C[C@]1(CCSC(=N1)N)c2cc(c(cc2F)F)c3cncnc3	4B2	(4s)-4-[2,4-difluoro-5-(pyrimidin-5-yl)phenyl]-4-methyl-5,6-dihydro-4h-1,3-thiazin-2-amine
CC1(CC(CC(C1)(C)C)Nc2cccc(c2)c3c(c(c(s3)C(=O)O)OCC(=O)O)Br)C	4B3	4-bromo-3-(carboxymethoxy)-5-{3-[(3,3,5,5-tetramethylcyclohexyl)amino]phenyl}thiophene-2-carboxylic acid
CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N)NC(=O)[C@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O	4B5	n-{(2r,4s,5s)-2-benzyl-5-[(tert-butoxycarbonyl)amino]-4-hydroxy-6-phenylhexanoyl}-l-leucyl-l-phenylalaninamide
CC(=O)Nc1ccc(cc1)c2csc(n2)Nc3ccccc3F	4B6	n-{4-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl}acetamide
Cc1nc(cc(n1)N2CCN(CC2)CCO)Nc3ncc(s3)C(=O)Nc4ccc(cc4)Oc5ccccc5	4B7	2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-n-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide
c1cc(ccc1c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl)O	4B8	2,6-dichloro-4-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
c1cc(ccc1CNCCC(=O)O)C(=O)O	4BA	4-[(2-carboxy-ethylamino)-methyl]-benzoic acid
CC(C)(C)c1ccc(cc1)C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br	4BB	4-tert-butyl-n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
CCc1cc(c(cc1O)O)c2c(c([nH]n2)C(=O)O)c3ccc4c(c3)OCO4	4BC	4-(1,3-benzodioxol-5-yl)-5-(5-ethyl-2,4-dihydroxyphenyl)-2h-pyrazole-3-carboxylic acid
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(C(F)(F)[P@](=O)(O)OP(=O)(O)O)O)O	4BD	5'-o-[(s)-{difluoro[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]thymidine
c1cc(ccc1C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br)Br	4BE	4-bromo-n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
c1cc(ccc1C[C@@H](C(=O)O)N)Br	4BF	4-bromo-l-phenylalanine
c1ccc(cc1)COc2ccc(cc2)NC(=O)CN	4BG	n-[4-(benzyloxy)phenyl]glycinamide
c1c(c(cc(c1Cl)O)O)c2c(cn[nH]2)N3CCNCC3	4BH	4-chloro-6-(4-piperazin-1-yl-1h-pyrazol-5-yl)benzene-1,3-diol
Cc1c(c(c2ccccc2n1)c3ccc(cc3)Cl)[C@@H](C(=O)O)OC(C)(C)C	4BI	(2s)-tert-butoxy[4-(4-chlorophenyl)-2-methylquinolin-3-yl]ethanoic acid
CN1c2cc(c(cc2N(C1=O)C)Oc3cccc(c3)OCc4ccccc4)NS(=O)(=O)c5ccc(c(c5)OC)OC	4BJ	n-{6-[3-(benzyloxy)phenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl}-3,4-dimethoxybenzenesulfonamide
Cc1nc(cn1C)S(=O)(=O)Nc2cc3c(cc2Oc4cccc(c4)OCC(C)C)N(C(=O)N3C)C	4BK	n-{1,3-dimethyl-6-[3-(2-methylpropoxy)phenoxy]-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl}-1,2-dimethyl-1h-imidazole-4-sulfonamide
Cc1ccc2cc([nH]c2c1)C(=O)O	4BL	6-methyl-1h-indole-2-carboxylic acid
c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)NOC[C@@H](CO)O	4BM	n-{[(2r)-2,3-dihydroxypropyl]oxy}-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide
C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)OP(=O)(O)O)O	4BN	3-oxo-4-pregnene-20-carboxyl-coenzyme a
c1ccc(cc1)COc2ccc(cc2)NC(=O)[C@H](CC(=O)O)N	4BO	(3s)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acid
c1cc(ccc1CBr)c2ccc(cc2)CBr	4BP	4,4'-bis(bromomethyl)biphenyl
c1ccc(cc1)COc2ccc(cc2)NC(=O)CC[C@@H](C(=O)O)N	4BQ	(2s)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid
Cc1ccc(cc1)OCC[P@H](=O)[O-]	4BR	2-(4-methylphenoxy)ethylphosphinate
c1ccc(cc1)COc2ccc(cc2)NC(=O)CCCN	4BS	4-amino-n-[4-(benzyloxy)phenyl]butanamide
[H]/N=C(/N)\SCCc1ccc(cc1)CCSC(=N)N	4BT	2-{2-[4-(2-carbamimidoylsulfanyl-ethyl)-phenyl]-ethyl}-isothiourea
c1ccc(cc1)[C@@H](COc2ccc(cc2)NC(=O)CC[C@@H](C(=O)O)N)O	4BU	(2s)-2-amino-5-[[4-[(2s)-2-hydroxy-2-phenyl-ethoxy]phenyl]amino]-5-oxo-pentanoic acid
Cn1cc(nc1)S(=O)(=O)Nc2cc3c(cc2Oc4cccc(c4)OC[C@H]5CCOC5)N(C(=O)N3C)C	4BV	n-(1,3-dimethyl-2-oxo-6-{3-[(3s)-tetrahydrofuran-3-ylmethoxy]phenoxy}-2,3-dihydro-1h-benzimidazol-5-yl)-1-methyl-1h-imidazole-4-sulfonamide
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N	4BW	2-amino-9-[(2r,3r,3as,5r,7ar,9r,10r,10as,12r,14ar)-9-(6-amino-9h-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2h,7h-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6h-purin-6-one
c1ccc2c(c1)[nH]c(n2)CCC(=O)O	4BX	3-(1h-benzimidazol-2-yl)propanoic acid
Cc1ccc2c(c1)cc([nH]2)C(=O)O	4BY	5-methyl-1h-indole-2-carboxylic acid
[H]/N=C(\c1ccc(cc1)CO)/N	4BZ	4-(hydroxymethyl)benzamidine
c1ccc(cc1)CCC(=O)N[C@H](Cc2[nH]c3ccccc3n2)C(=O)O	4C0	3-(1h-benzimidazol-2-yl)-n-(3-phenylpropanoyl)-d-alanine
CCCOc1cc(cc(c1)Oc2cc3c(cc2NS(=O)(=O)c4ccc(c(c4)OC)OC)N(C(=O)N3C)C)OCCCCN(C)C	4C1	n-(6-{3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy}-1,3-dimethyl-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)-3,4-dimethoxybenzenesulfonamide
Cc1c(c(on1)C)S(=O)(=O)NC2=C(C(=O)C2=O)N3CCC(CC3)NCc4ccc(cc4)C(F)(F)F	4C2	n-[3,4-dioxo-2-(4-{[4-(trifluoromethyl)benzyl]amino}piperidin-1-yl)cyclobut-1-en-1-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CCCC/C(=C/C=C(\C)/C(=O)C1=C(C=C(OC1=O)[C@H](C)CC/C=C/NC(=O)OC)O)/C	4C4	myxopyronin b
COc1ccc(cc1)C(c2ccccc2)(c3ccccc3)SC[C@@H](C(=O)O)N	4C5	(2r)-2-azanyl-3-[(4-methoxyphenyl)-diphenyl-methyl]sulfanyl-propanoic acid
Cc1ccc(cc1)CC2CCN(CC2)C3=C(C(=O)C3=O)NS(=O)(=O)c4c(noc4C)C	4C6	3,5-dimethyl-n-{2-[4-(4-methylbenzyl)piperidin-1-yl]-3,4-dioxocyclobut-1-en-1-yl}-1,2-oxazole-4-sulfonamide
C[C@H](CCC[C@@H](C)CCOP(=O)(O)OP(=O)(O)O)CCCC(C)C	4C7	(3r,7s)-3,7,11-trimethyldodecyl trihydrogen diphosphate
c1cc(c(cc1Br)Br)Oc2c(cc(cc2Br)Br)Br	4C8	2,4-dibromophenyl 2,4,6-tribromophenyl ether
CC(C)(C)CC(C#N)C(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4ccc(cc4)Oc5ccccc5)c(ncn3)N	4C9	(2s)-2-({(3r)-3-[4-amino-3-(4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}carbonyl)-4,4-dimethylpentanenitrile
CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCc4ccc(cc4)O)O	4CA	4-hydroxybenzyl coenzyme a
B(c1ccc(cc1)C(=O)O)(O)O	4CB	4-carboxyphenylboronic acid
[H]/N=C(\c1ccc(cc1)NCc2nc3cc(ccc3n2C)C(=O)N(CCC(=O)O)c4ccccn4)/N	4CC	n-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1h-benzimidazol-5-yl)carbonyl]-n-pyridin-2-yl-beta-alanine
Cc1ccccc1[C@H]2CCCN2C(=O)c3cc(c(cc3O)O)Cl	4CD	4-chloro-6-{[(2r)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol
CN1CCN(CC1)C(=O)C[C@@H](c2[nH]c(c(n2)c3ccc4c(c3)C(=CC(=O)N4)O)Cl)NC(=O)/C=C/c5cc(ccc5n6cnnn6)Cl	4CE	(2e)-n-[(1s)-1-[5-chloro-4-(4-hydroxy-2-oxo-1,2-dihydroquinolin-6-yl)-1h-imidazol-2-yl]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enamide
c1cc(ccc1C[C@@H](C(=O)O)N)C#N	4CF	4-cyano-l-phenylalanine
C1C[C@H](/C(=C\[C@H](COP(=O)(O)O)N)/C1)C(=O)O	4CG	(1r,2z)-2-[(2r)-2-amino-3-(phosphonooxy)propylidene]cyclopentanecarboxylic acid
c1cc(ccc1O)Cl	4CH	4-chlorophenol
c1cc2c(cc1NC=S)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)O)O	4CI	n-[3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-yl]methanethioamide
CC(=O)Nc1ccc(cc1)c2csc(n2)Nc3cccc(c3)F	4CJ	n-{4-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl}acetamide
c1cc(ccc1C(=O)Nc2cc([nH]n2)C3CC3)C(=O)O	4CK	4-[(5-cyclopropyl-1h-pyrazol-3-yl)carbamoyl]benzoic acid
c1cc(c(cc1Cl)O)O	4CL	4-chlorobenzene-1,2-diol
C[P@](=O)(c1ccc(cc1)C(=N)N)O	4CM	(4-carbamimidoylphenyl)-methyl-phosphinic acid
Cc1nc(cs1)c2ccc3c(c2)CC(=O)N3C	4CN	1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydro-2h-indol-2-one
CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4)O)O	4CO	4-hydroxyphenacyl coenzyme a
[H]/N=C(\N)/Nc1ccc(cc1)C[C@@H](C(=O)N)NC(=O)CSc2ccc(cc2)Cl	4CP	2-[2-(4-chloro-phenylsulfanyl)-acetylamino]-3-(4-guanidino-phenyl)-propionamide
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@@H]3[C@@H]([C@H]([C@H](O2)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@@H]([C@@H]([C@H]8O)O)O[C@@H]9[C@H](O[C@H](O3)[C@@H]([C@H]9O)O)CO)CO)CO)CO)CO)CO)O)O)O)O)O)O	4CQ	6-o-alpha-d-glucosyl-beta-cyclodextrin
CCN(C)C(=O)Oc1cccc2c1CC[C@H]2/[N+](=C/C=C)/C	4CR	(1r)-4-({[ethyl(methyl)amino]carbonyl}oxy)-n-methyl-n-[(1e)-prop-2-en-1-ylidene]indan-1-aminium
CC1=N[C@@H](CCN1)C(=O)O	4CS	(4s)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid
c1cc(ccc1SC[C@H]2C[N@](C[C@@H]2O)Cc3c[nH]c4c3ncnc4N)Cl	4CT	(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrrolidin-3-ol
CCCOc1ccc(cc1c2cc(ccc2O)/C=C/C(=O)O)CC=C	4CU	(~{e})-3-[4-oxidanyl-3-(5-prop-2-enyl-2-propoxy-phenyl)phenyl]prop-2-enoic acid
CNS(=O)(=O)c1ccc(c(c1)Nc2c3c(c[nH]c3ncn2)Br)N4CCOCC4	4CV	3-[(5-bromo-7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-n-methyl-4-(morpholin-4-yl)benzenesulfonamide
CNS(=O)(=O)c1cccc(c1)Nc2c3c([nH]cn3)ncn2	4CW	n-methyl-3-(9h-purin-6-ylamino)benzenesulfonamide
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2ccc(c(c2)C(F)(F)F)c3ccc(c(c3)C#N)CC(C)C	4CX	n-[3'-cyano-4'-(2-methylpropyl)-2-(trifluoromethyl)biphenyl-4-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide
C(CSC#N)[C@@H](C(=O)O)N	4CY	nitrilo-l-methionine
CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2nc(c(s2)C(=O)c3ccccc3CC(C)C)c4ccccc4	4CZ	2-[4-(ethylsulfonyl)phenyl]-n-{5-[2-(2-methylpropyl)benzoyl]-4-phenyl-1,3-thiazol-2-yl}acetamide
c1ccc(cc1)c2ccc(cc2)CCC(=O)NC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	4D0	n-{[3-(biphenyl-4-yl)propanoyl]carbamoyl}-beta-d-glucopyranosylamine
CC(C)c1ccc(cc1)/C=C/C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	4D1	n-({(2e)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamoyl)-beta-d-glucopyranosylamine
CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)c3cccnc3	4D2	5-[(2s)-4-methyl-2-[(pyridin-3-ylcarbonylamino)methyl]pentyl]-1,3-benzodioxole-4-carboxylic acid
COC(=O)/C=C(\C#N)/c1ccc(cc1)F	4D3	methyl (2z)-3-cyano-3-(4-fluorophenyl)prop-2-enoate
[H]/N=C(/N)\NCC[C@H]([C@@H](C(=O)O)N)O	4D4	(2s,3r)-2-azanyl-5-carbamimidamido-3-oxidanyl-pentanoic acid
COC(=O)Nc1ccc(cc1)c2c(nc([nH]2)[C@H](CC(=O)N3CCOCC3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl)Cl	4D5	methyl (4-{4-chloro-2-[(1s)-1-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-(morpholin-4-yl)-3-oxopropyl]-1h-imidazol-5-yl}phenyl)carbamate
B1([C@H](CC[C@H](O1)CC(=O)O)NC(=O)Cc2cccs2)O	4D6	vaborbactam
Cc1c(cco1)C(=O)N[C@H](Cc2[nH]c3ccccc3n2)C(=O)O	4D7	3-(1h-benzimidazol-2-yl)-n-[(2-methylfuran-3-yl)carbonyl]-d-alanine
C[C@H](CCC=C(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H]([C@@]4(C)C(=O)O)O)C)C	4D8	(3beta,4alpha,5beta,14beta)-3-hydroxy-4-methylcholesta-8,24-diene-4-carboxylic acid
c1ccc2c(c1)cc(s2)C(=O)N[C@H](Cc3[nH]c4ccccc4n3)C(=O)O	4D9	3-(1h-benzimidazol-2-yl)-n-(1-benzothiophen-2-ylcarbonyl)-d-alanine
CN(C)c1ccc2c(c1)C(=O)N(C2=O)CC[C@@H](C(=O)O)N	4DB	(2s)-2-amino-4-[5-(dimethylamino)-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl]butanoic acid
CS(=O)(=O)c1ccc(cc1)[C@@H](CC2CCCC2)C(=O)Nc3nccs3	4DC	(2r)-3-cyclopentyl-2-[4-(methylsulfonyl)phenyl]-n-(1,3-thiazol-2-yl)propanamide
C[C@H](CCc1ccccc1)N	4DD	(2r)-4-phenylbutan-2-amine
CCOC(=O)c1c(nn(c1C)c2ccc(cc2)OC)C	4DE	1-(4-methoxyphenyl)-3,5-dimethyl-1h-pyrazole-4-carboxylic acid ethyl ester
CCN(c1cccc2c1cn[nH]2)c3c(cnc(n3)Nc4ccc5c(c4)S(=O)(=O)NC5)Cl	4DF	5-chloro-n~2~-(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)-n~4~-ethyl-n~4~-(1h-indazol-4-yl)pyrimidine-2,4-diamine
c1nc2c(n1COCCOP(=O)(O)O)N=C(NC2=O)N	4DG	2-[(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)methoxy]ethyl dihydrogen phosphate
Cn1c(cc(n1)c2ccccc2)C(=O)N[C@H](Cc3[nH]c4ccccc4n3)C(=O)O	4DH	3-(1h-benzimidazol-2-yl)-n-[(1-methyl-3-phenyl-1h-pyrazol-5-yl)carbonyl]-d-alanine
[H]/N=C(\N)/SCCCCN(C)C	4DI	4-(dimethylamino)butyl imidothiocarbamate
Cn1c2ccc(cc2cn1)Nc3nccc(n3)N(CCCO)c4cccc5c4cn[nH]5	4DJ	3-(1h-indazol-4-yl{2-[(1-methyl-1h-indazol-5-yl)amino]pyrimidin-4-yl}amino)propan-1-ol
Cc1c(ocn1)c2cccc(c2)Nc3nccc(n3)N(CCCO)c4cccc5c4cn[nH]5	4DK	3-[1h-indazol-4-yl(2-{[3-(4-methyl-1,3-oxazol-5-yl)phenyl]amino}pyrimidin-4-yl)amino]propan-1-ol
c1cc2c(cn[nH]2)c(c1)N(CCO)c3ccnc(n3)Nc4ccc5c(c4)S(=O)(=O)NC5	4DL	2-[{2-[(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)amino]pyrimidin-4-yl}(1h-indazol-4-yl)amino]ethanol
Cc1c2cccc(c2c(c3c1C[C@H]4CC(=C(C(=O)[C@]4(C3=O)O)C(=O)N)O)O)O	4DM	(4as,12as)-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide
c1cc2c(cn[nH]2)c(c1)N(CCCO)c3ccnc(n3)Nc4ccc5c(c4)S(=O)(=O)NC5	4DN	3-[{2-[(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)amino]pyrimidin-4-yl}(1h-indazol-4-yl)amino]propan-1-ol
CN(c1cccc2c1cn[nH]2)c3c(cnc(n3)Nc4ccc5c(c4)S(=O)(=O)NC5)F	4DO	n~2~-(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)-5-fluoro-n~4~-(1h-indazol-4-yl)-n~4~-methylpyrimidine-2,4-diamine
CN(C)c1ccc2c(c1)C(=O)N(C2=O)C[C@@H](C(=O)O)N	4DP	3-[5-(dimethylamino)-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl]-l-alanine
CCN(c1cccc2c1cn[nH]2)c3c(cnc(n3)Nc4ccc5c(c4)S(=O)(=O)NC5)F	4DQ	n~2~-(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)-n~4~-ethyl-5-fluoro-n~4~-(1h-indazol-4-yl)pyrimidine-2,4-diamine
c1cc(c(cc1N=C=S)S(=O)(=O)O)/C=C/c2ccc(cc2S(=O)(=O)O)N=C=S	4DS	4,4'-diisothiocyano-2,2'-stilbenedisulfonic acid
CCN(c1cccc2c1cn[nH]2)c3c(cnc(n3)NC4=CCC5=CNN(C5=C4)CCCO)F	4DT	3-[6-({4-[ethyl(1h-indazol-4-yl)amino]-5-fluoropyrimidin-2-yl}amino)-2,4-dihydro-1h-indazol-1-yl]propan-1-ol
c1cnc(c2c1n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N	4DU	1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-1h-imidazo[4,5-c]pyridin-4-amine
Cc1ccccc1c2ccc(cc2F)c3ccc4c(c3)c(c(n4Cc5ccc(cc5)Cl)CC(C)(C)C(=O)O)C	4DV	3-[1-(4-chlorobenzyl)-5-(2-fluoro-2'-methylbiphenyl-4-yl)-3-methyl-1h-indol-2-yl]-2,2-dimethylpropanoic acid
c1cc(ccc1CCc2c[nH]c3c2C(=O)N=C(N3)N)C(=O)N[C@@H](/C=C/C(=O)O)C(=O)O	4DW	n-{4-[2-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-l-glutamic acid
C[C@H]1CCCC[C@@H]1O	4DX	(1s,2s)-2-methylcyclohexanol
CC(C)/C=C/CCCCC(=O)NCc1ccc(c(c1)OC)O	4DY	(6e)-n-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide
c1ccc2c(c1)c3cc(ccc3c4c2nc([nH]4)c5c(cccc5C#N)C#N)Cl	4DZ	2-(9-chloro-1h-phenanthro[9,10-d]imidazol-2-yl)benzene-1,3-dicarbonitrile
CCCCCCCCCCCCCCCCOP(=O)(CCCC)F	4E0	1-[butyl(fluoranyl)phosphoryl]oxyhexadecane
c1ccc2c(c1)c3c(c4cccc(c4[nH]3)I)c(n2)C(=O)O	4E1	10-iodo-11h-indolo[3,2-c]quinoline-6-carboxylic acid
c1cc2c3c(c4cc(ccc4nc3C(=O)O)I)[nH]c2c(c1)Cl	4E2	10-chloro-2-iodo-11h-indolo[3,2-c]quinoline-6-carboxylic acid
c1cc2c3c(c4cc(ccc4nc3C(=O)O)I)[nH]c2c(c1)Br	4E3	10-bromo-2-iodo-11h-indolo[3,2-c]quinoline-6-carboxylic acid
CCC(CC)(CO)C(=O)Nc1ccc(nc1)C	4E4	2-ethyl-2-(hydroxymethyl)-n-(6-methylpyridin-3-yl)butanamide
c1c(cc(cc1C(=O)O)O)[C@H]2CCN[C@@H]2C(=O)O	4E5	(3r)-3-(3-carboxy-5-hydroxyphenyl)-l-proline
CCCCCCCCC/C=C/C=C/CC=C	4E6	(4e,6e)-hexadeca-1,4,6-triene
CCC[C@@H]1CN[C@@H]([C@H]1c2cccc(c2)C(=O)O)C(=O)O	4E7	(3r,4s)-3-(3-carboxyphenyl)-4-propyl-l-proline
c1cc(cc(c1)F)CCCNCCc2ccnc(n2)n3ccnc3	4E8	3-(3-fluorophenyl)-n-{2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine
c1ccc2c(c1)-c3ccc(c4c3c(ccc4)C2=O)Nc5nc6c(n5[C@H]7C[C@@H]([C@H](O7)COP(=O)(O)O)O)N=C(NC6=O)N	4E9	2'-deoxy-8-[(7-oxo-7h-benzo[de]anthracen-3-yl)amino]guanosine 5'-(dihydrogen phosphate)
c1ccc2c(c1)c(c[nH]2)C[C@@H](COc3cc(cnc3)\C=C\c4ccncc4)N	4EA	(1s)-2-(1h-indol-3-yl)-1-[({5-[(e)-2-pyridin-4-ylvinyl]pyridin-3-yl}oxy)methyl]ethylamine
Cc1ccc(c(c1)C)SCCNc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)c4ccc(cc4)F	4EB	4-({2-[(2,4-dimethylphenyl)sulfanyl]ethyl}amino)-n-[(4'-fluoro-1,1'-biphenyl-4-yl)carbonyl]-3-nitrobenzenesulfonamide
Cc1cc2c(cc1C)sc(n2)/C=C/c3cccnc3	4ED	5,6-dimethyl-2-[(e)-2-(pyridin-3-yl)ethenyl]-1,3-benzothiazole
CCOc1ccc(cc1)C2=Nn3c(nnc3SC2)c4ccccc4OC	4EE	6-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-7h-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CNS(=O)(=O)c1ccc(c(c1)Nc2c3c(c[nH]c3ncn2)Cl)N4CCOCC4	4EF	3-[(5-chloro-7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-n-methyl-4-(morpholin-4-yl)benzenesulfonamide
COC(=O)/C=C(\C#N)/c1ccccc1	4EG	methyl (2z)-3-cyano-3-phenylprop-2-enoate
c1cnc(cn1)SC[C@H]2CN(C[C@@H]2O)Cc3c[nH]c4c3ncnc4N	4EH	(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(pyrazin-2-ylsulfanyl)methyl]pyrrolidin-3-ol
C(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O	4EI	perfluoroheptanoic acid
c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	4EJ	4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile
c1ccnc(c1)c2cnc3n2nc(cc3)N4CCC[C@@H]4c5cccc(c5)F	4EK	6-[(2r)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(pyridin-2-yl)imidazo[1,2-b]pyridazine
Cc1nnc(s1)NS(=O)(=O)c2ccc(cc2)NCc3cc(cc(c3)C(=O)O)c4ccc(nc4)OC	4EL	3-(6-methoxypyridin-3-yl)-5-[({4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}amino)methyl]benzoic acid
CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)c1ccc[nH]1)O	4EM	(3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(1h-pyrrol-2-ylcarbonyl)amino]ethyl}amino)propyl]amino}butyl dihydrogen phosphate
c1c2c(ncnc2nn1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N	4EN	[(2r,3s,5r)-5-(4-azanylpyrazolo[3,4-d]pyrimidin-2-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
CCc1cc(c(cc1O)O)N2c3ccccc3NC2=O	4EO	1-(5-ethyl-2,4-dihydroxyphenyl)-1,3-dihydro-2h-benzimidazol-2-one
CCCc1cc(c(cc1O)O)N2c3ccccc3NC2=O	4EP	1-(2,4-dihydroxy-5-propylphenyl)-1,3-dihydro-2h-benzimidazol-2-one
c1cc(cnc1)S(NCc2ccc3c(c2)NC(=O)N3c4cc(c(cc4O)O)Cl)(O)O	4EQ	1-(5-chloro-2,4-dihydroxyphenyl)-5-({[dihydroxy(pyridin-3-yl)-lambda~4~-sulfanyl]amino}methyl)-1,3-dihydro-2h-benzimidazol-2-one
c1ccc(c(c1)c2nc(nc(n2)N)N)Cl	4ER	6-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine
Cc1cc(nc(n1)N)c2ccc(cc2Cl)[N+](=O)[O-]	4ES	4-(2-chloro-4-nitrophenyl)-6-methylpyrimidin-2-amine
c1cc(ccc1C(=O)c2cc(ccc2O)Cl)O	4ET	(5-chloro-2-hydroxyphenyl)(4-hydroxyphenyl)methanone
c1cc(ccc1C(=O)c2ccc(cc2O)O)O	4EU	(2,4-dihydroxyphenyl)(4-hydroxyphenyl)methanone
c1cc(cc(c1)O)C(=O)c2ccc(cc2O)O	4EV	(2,4-dihydroxyphenyl)(3-hydroxyphenyl)methanone
c1c(cnc2c1c(c[nH]2)c3ncc(c(n3)N[C@@H]4[C@H](C5CCC4CC5)c6[nH]nnn6)F)Cl	4EW	2-(5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-n-[(1r,2s,3s,4r)-3-(1h-tetrazol-5-yl)bicyclo[2.2.2]oct-2-yl]pyrimidin-4-amine
B1(O[C@@H]2[C@H](CO[C@@]2(O1)C)O)(O)O	4EX	(3~{a}~{s},6~{s},6~{a}~{r})-3~{a}-methyl-2,2-bis(oxidanyl)-6,6~{a}-dihydro-5~{h}-furo[2,3-d][1,3,2]dioxaborol-6-ol
C1=C(C=[N](C=C1C=S)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)S	4EY	1-[(2r,3r,4s,5r)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-5-methanethioyl-pyridine-3-carbothioic s-acid
CCCCCCN(Cc1c[nH]c2c1ncnc2N)CO	4EZ	{[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl](hexyl)amino}methanol
CSC[C@@H]1CN(C[C@H]1O)Cc2c[nH]c3c2ncnc3N	4F0	(3s,4r)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(methylsulfanyl)methyl]pyrrolidin-3-ol
c1ccc2c(c1)c(nn2C(=O)c3c(cccc3Cl)C(F)(F)F)c4ccc(cc4)C(=O)O	4F1	4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1h-indazol-3-yl}benzoic acid
CC(C)NC(=O)NC1CCC(CC1)Nc2ncc3c(n2)N(C(=O)C=C3)C4CCCC4	4F2	1-{trans-4-[(8-cyclopentyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl}-3-propan-2-ylurea
C[C@@H]([C@@H](c1nc(c(n1CC(=O)O)O)Cc2c[nH]c3c2c(ccc3)F)N)O	4F3	[2-(1-amino-2-hydroxy-propyl)-4-(4-fluoro-1h-indol-3-ylmethyl)-5-hydroxy-imidazol-1-yl]-acetic acid
c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)NC(=O)c5cccs5	4F4	n-{4-[(1h-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}thiophene-2-carboxamide
CC(=O)Nc1ccc(cc1)N([C@H](c2ccsc2)C(=O)NC(C)(C)C)C(=O)Cn3c4ccccc4nn3	4F5	n-[4-(acetylamino)phenyl]-2-(1h-benzotriazol-1-yl)-n-[(1r)-2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]acetamide
c1cc(cc(c1)F)[C@@H]2COCCN2c3ccc4ncc(n4n3)c5ccc(cc5)C#N	4F6	4-{6-[(3r)-3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl}benzonitrile
c1ccc(cc1)c2c[nH]c(n2)CCc3cnc4ccccc4n3	4F7	2-[2-(4-phenyl-1h-imidazol-2-yl)ethyl]quinoxaline
c1ccc(cc1)c2[nH]c(c(n2)C(=O)O)C(=O)O	4F8	2-phenyl-1h-imidazole-4,5-dicarboxylic acid
c1cnccc1c2cnc[nH]2	4F9	4-(1h-imidazol-5-yl)pyridine
c1cc(ccc1CCO)F	4FA	4-fluorophenethyl alcohol
C1[C@@H](CN[C@@H]1C(=O)O)F	4FB	(4s)-4-fluoro-l-proline
c1cc(ccc1c2ccc(cc2)F)C(=O)O	4FC	4'-fluoro-1,1'-biphenyl-4-carboxylic acid
c1ccc(cc1)CNc2ccc(cn2)C(=O)N	4FD	6-(benzylamino)pyridine-3-carboxamide
COc1ccc(cc1O)\C=C\C(=O)O	4FE	(2e)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid
Cc1c(nc([nH]1)c2ccccc2)C(=O)O	4FF	5-methyl-2-phenyl-1h-imidazole-4-carboxylic acid
c1cc(ncc1C(=O)N)N	4FG	6-aminopyridine-3-carboxamide
C1=CN(C(=S)C=C1C(F)(F)F)O	4FH	1-hydroxy-4-(trifluoromethyl)pyridine-2(1h)-thione
Cn1c(cc(n1)c2ccccc2)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)O	4FI	(2r)-2-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]-3-naphthalen-2-yl-propanoic acid
Cc1c(c2ccc(cc2nc1c3ccccn3)F)N4CC5(CCOCC5)c6c4cc(cn6)N7CCOCC7	4FJ	1'-[7-fluoro-3-methyl-2-(pyridin-2-yl)quinolin-4-yl]-6'-(morpholin-4-yl)-1',2,2',3,5,6-hexahydrospiro[pyran-4,3'-pyrrolo[3,2-b]pyridine]
CC(=O)Nc1ccc(cc1)c2csc(n2)Nc3ccc(cc3)F	4FK	n-{4-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl}acetamide
c1cnccc1c2[nH]ccn2	4FL	4-(1h-imidazol-2-yl)pyridine
c1cc(ccc1CNC(=O)c2c(non2)N)Cl	4FM	4-amino-n-(4-chlorobenzyl)-1,2,5-oxadiazole-3-carboxamide
CC(C)(C)c1cccc(c1)C(=O)NCC2(CCCCC2)NC(=O)c3cccc4c3con4	4FN	n-(1-{[(3-tert-butylbenzoyl)amino]methyl}cyclohexyl)-2,1-benzoxazole-4-carboxamide
C(CN)[C@H](C(=O)O)N	4FO	(2r)-2,4-diaminobutanoic acid
c1cc(ccc1CC2CCNCC2)F	4FP	4-(4-fluorobenzyl)piperidine
CC(C)C(=O)c1c2ccccn2nc1Cc3cccc(c3)/N=N/c4ccc5c(cc(c(c5c4O)N)S(=O)(=O)O)S(=O)(=O)O	4FQ	4-amino-5-hydroxy-6-[(e)-(3-{[3-(2-methylpropanoyl)pyrazolo[1,5-a]pyridin-2-yl]methyl}phenyl)diazenyl]naphthalene-1,3-disulfonic acid
Cc1c2cnc(cc2n(n1)c3cc(cc(c3)Cl)c4ccccc4C(=O)N)Nc5ccc(cc5OC)C(=O)NC6CCN(CC6)C	4FR	3'-chloro-5'-[6-({2-methoxy-4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl}amino)-3-methyl-1h-pyrazolo[4,3-c]pyridin-1-yl]biphenyl-2-carboxamide
c1ccc2c(c1)cc(cn2)N	4FS	quinolin-3-amine
c1ccc2cnncc2c1	4FT	phthalazine
C1CC[C@@H]([C@@H](C1)C(=O)O)C(=O)O	4FU	(1r,2s)-cyclohexane-1,2-dicarboxylic acid
C1C[C@@H](C[C@@H]1NC(=O)c2c(non2)N)O	4FV	4-amino-n-[(1r,3s)-3-hydroxycyclopentyl]-1,2,5-oxadiazole-3-carboxamide
c1cc2c(c(c1)F)c(c[nH]2)C[C@@H](C(=O)O)N	4FW	4-fluorotryptophane
COc1ccccc1CNc2ccc(cn2)C(=O)N	4FX	6-[(2-methoxybenzyl)amino]pyridine-3-carboxamide
c1ccc(cc1)c2[nH]c(c(n2)C(=O)N3CCOCC3)C(=O)O	4FY	4-(morpholin-4-ylcarbonyl)-2-phenyl-1h-imidazole-5-carboxylic acid
[H]/N=C(\c1ccc(cc1)C=O)/N	4FZ	4-formylbenzenecarboximidamide
CN(C)c1cccc(c1)CNc2ccc(cn2)C(=O)N	4G0	6-{[3-(dimethylamino)benzyl]amino}pyridine-3-carboxamide
Cc1cccc(c1)C(=O)NCC2(CCCC2)NC(=O)c3cccc4c3con4	4G1	n-(1-{[(3-methylbenzoyl)amino]methyl}cyclopentyl)-2,1-benzoxazole-4-carboxamide
Cc1c(nc([nH]1)c2cccc(c2)Cl)C(=O)O	4G2	2-(3-chloro-phenyl)-5-methyl-1h-imidazole-4-carboxylic acid
c1cc(cc(c1)O)CNc2ccc(cn2)C(=O)N	4G3	6-[(3-hydroxybenzyl)amino]pyridine-3-carboxamide
CN(C)c1ccccc1CNc2ccc(cn2)C(=O)N	4G4	6-{[2-(dimethylamino)benzyl]amino}pyridine-3-carboxamide
CN(CC(=O)N)C(=O)c1c([nH]c(n1)c2ccccc2)C(=O)O	4G5	4-[(2-amino-2-oxoethyl)(methyl)carbamoyl]-2-phenyl-1h-imidazole-5-carboxylic acid
CC(C)(CN)N	4G6	2-methylpropane-1,2-diamine
c1cc(cc(c1)C(=O)O)CNC(=O)c2ccc(cc2OCC(=O)O)F	4G7	3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid
c1ccc(cc1)CN(CC(=O)O)C(=O)c2c([nH]c(n2)c3ccccc3)C(=O)O	4G8	4-[benzyl(carboxymethyl)carbamoyl]-2-phenyl-1h-imidazole-5-carboxylic acid
CN(C)S(=O)(=O)c1cc(ccc1Cl)NC(=O)CCl	4G9	2-chloro-n-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide
CCCCn1cc[n+](c1)CC(O)(P(=O)(O)O)P(=O)(O)O	4GA	1-butyl-3-(2-hydroxy-2,2-diphosphonoethyl)-1h-imidazol-3-ium
CCSCOc1ccc(cc1NC(=O)C)S(=O)(=O)N2CCCCCC2	4GB	n-{5-(azepan-1-ylsulfonyl)-2-[(ethylsulfanyl)methoxy]phenyl}acetamide
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O)CO)CO)CO)O)O)O)O	4GC	beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-alpha-d-glucopyranose
Cc1cc(n(n1)c2ccccc2)NC(=O)c3cnn4c3nccc4	4GD	n-(3-methyl-1-phenyl-1h-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CN(Cc1ccccc1)C(=O)c2c(nc([nH]2)c3cccc(c3)Cl)C(=O)O	4GE	5-[benzyl(methyl)carbamoyl]-2-(3-chlorophenyl)-1h-imidazole-4-carboxylic acid
CC(C)N1CCC(CC1)c2cc(n(n2)c3ccc(cc3F)C4CC4)NC(=O)c5cnn6c5nccc6	4GF	n-{1-(4-cyclopropyl-2-fluorophenyl)-3-[1-(propan-2-yl)piperidin-4-yl]-1h-pyrazol-5-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
CCSCC(=O)N(C)Cc1cnn(c1)c2ccccc2	4GG	2-(ethylsulfanyl)-n-methyl-n-[(1-phenyl-1h-pyrazol-4-yl)methyl]acetamide
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H](C[C@H](O1)CO)O)O)[C@@H](CCCCCCCCCCCCCCC)O	4GH	n-{(2s,3r)-1-[(4-deoxy-alpha-d-xylo-hexopyranosyl)oxy]-3-hydroxyoctadecan-2-yl}hexacosanamide
c1cc(cc(c1)S(=O)(=O)N2CCCC[C@H]2C(=O)OCCCc3cccnc3)[N+](=O)[O-]	4GI	3-(pyridin-3-yl)propyl (2s)-1-[(3-nitrophenyl)sulfonyl]piperidine-2-carboxylate
c1cnccc1SSC[C@@H](C(=O)O)N	4GJ	3-(pyridin-4-yldisulfanyl)-l-alanine
Cc1cnc(c2n1nc(n2)CCc3nc4c5cccnc5ccc4n3C)C	4GK	2-[2-(5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-3h-imidazo[4,5-f]quinoline
C([C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)O)O)O)O)O	4GL	alpha-d-gulopyranose
c1ccc(c(c1)CNc2ccc(cn2)C(=O)N)O	4GM	6-[(2-hydroxybenzyl)amino]pyridine-3-carboxamide
c1cc(ncc1C(=O)N)NCC2CCCC2	4GN	6-[(cyclopentylmethyl)amino]pyridine-3-carboxamide
c1cc(ncc1C(=O)N)NC2CCCC2	4GO	6-(cyclopentylamino)pyridine-3-carboxamide
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=O)C(=O)O)O)O)O)O	4GP	n-(carboxycarbonyl)-beta-d-glucopyranosylamine
c1cc(c2c(c1)NC(=O)CO2)[C@H](CNCCN(C3CCCCC3)C(=O)CCNCCc4ccc(c(c4)Cl)Cl)O	4GQ	n-cyclohexyl-n~3~-[2-(3,4-dichlorophenyl)ethyl]-n-(2-{[(2r)-2-hydroxy-2-(3-oxo-3,4-dihydro-2h-1,4-benzoxazin-8-yl)ethyl]amino}ethyl)-beta-alaninamide
COC(=O)Nc1ccc(cc1)c2c(nc([nH]2)[C@H](Cc3ccccc3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl)Cl	4GR	methyl (4-{4-chloro-2-[(1s)-1-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-phenylethyl]-1h-imidazol-5-yl}phenyl)carbamate
C1CNCCC1NC(=O)c2c(non2)N	4GS	4-amino-n-(piperidin-4-yl)-1,2,5-oxadiazole-3-carboxamide
c1c(c(nc(n1)NC2CCCC2)N)C(=O)N	4GT	4-amino-2-(cyclopentylamino)pyrimidine-5-carboxamide
c1ccc(c(c1)Nc2c3cn[nH]c3ncn2)F	4GU	n-(2-fluorophenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
c1cc(sc1C=O)C2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O	4GW	5-(5-formylthiophen-2-yl)uridine 5'-(trihydrogen diphosphate)
c1ccnc(c1)CN2CCN(CC2)C(=O)c3c(non3)N	4GX	(4-amino-1,2,5-oxadiazol-3-yl)[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
C1CCC(CC1)CNC(=O)c2c(non2)N	4GY	4-amino-n-(cyclohexylmethyl)-1,2,5-oxadiazole-3-carboxamide
Cc1cccc(c1)C(=O)NCCC2(CCCCC2)CNc3ccc(cn3)C(=O)N	4GZ	6-{[(1-{2-[(3-methylbenzoyl)amino]ethyl}cyclohexyl)methyl]amino}pyridine-3-carboxamide
c1c(c(c(c(c1F)F)OCC(=O)C(CC(=O)O)N)F)F	4H0	(3s)-3-amino-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
c1cc(ncc1C(=O)N)NC[C@@H]2CCC[C@@H](C2)CN	4H1	6-({[(1r,3s)-3-(aminomethyl)cyclohexyl]methyl}amino)pyridine-3-carboxamide
CC1=CC(=S)NC=C1	4H2	4-methylpyridine-2(1h)-thione
c1cc(ncc1C(=O)N)N[C@@H]2C[C@@H]([C@H](C2)O)CO	4H3	6-{[(1r,3s,4r)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]amino}pyridine-3-carboxamide
c1cc(ccc1[C@H]2C[C@@H]2NC(=O)c3c(non3)N)S(=O)(=O)N	4H4	4-amino-n-[(1s,2r)-2-(4-sulfamoylphenyl)cyclopropyl]-1,2,5-oxadiazole-3-carboxamide
COc1ccc2c3ccnc(c3n(c2c1)CC#N)Cl	4H5	(1-chloro-7-methoxy-9h-beta-carbolin-9-yl)acetonitrile
c1ccc(c(c1)CNc2ccc(cn2)C(=O)N)N3CCOCC3	4H6	6-{[2-(morpholin-4-yl)benzyl]amino}pyridine-3-carboxamide
CN1CCN(CC1)c2ccccc2CNc3ccc(cn3)C(=O)N	4H7	6-{[2-(4-methylpiperazin-1-yl)benzyl]amino}pyridine-3-carboxamide
CC(C)(C)CNc1ncc(c(n1)N)C(=O)N	4H8	4-amino-2-[(2,2-dimethylpropyl)amino]pyrimidine-5-carboxamide
COc1ccc(cc1)C(=O)n2c(ncn2)N	4H9	(5-amino-1h-1,2,4-triazol-1-yl)(4-methoxyphenyl)methanone
C(CCO)C[NH3+]	4HA	4-hydroxybutan-1-aminium
c1cc(ccc1c2ccc(cc2)O)O	4HB	4,4'-dihydroxybiphenyl
c1ccc2c(c1)C(=CC(=O)O2)O	4HC	4-hydroxy-2h-chromen-2-one
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C=C/[C@H](CCC(=O)O)O	4HD	(4s,5e,7z,10z,13z,16z,19z)-4-hydroxydocosa-5,7,10,13,16,19-hexaenoic acid
Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36([N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)c9ccc(cc9)Cl)C=C)C	4HE	(4-chlorophenyl)[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~n~21~,n~22~,n~23~,n~24~)di(propanoato)(2-)]iron
c1cc(sc1CC[C@@H]2CC3=C(NC2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	4HF	n-[(5-{2-[(6r)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl]ethyl}-2-thienyl)carbonyl]-l-glutamic acid
c1cc2c(cnc(c2O)C(=O)NCC(=O)O)c(c1)I	4HG	n-[(4-hydroxy-8-iodoisoquinolin-3-yl)carbonyl]glycine
CC(C)(COP(=O)(O)OC[C@@H](C(=O)O)N)[C@H](C(=O)NCCC(=O)NCCS)O	4HH	4'-phosphopanthetheine-serine
CC(C)c1c(nc(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)C(=O)NCc3ccccc3	4HI	(3r,5r)-7-[4-(benzylcarbamoyl)-2-(4-fluorophenyl)-5-(1-methylethyl)-1h-imidazol-1-yl]-3,5-dihydroxyheptanoic acid
CC(C)(COP(=O)(O)OC[C@@H](C(=O)O)N)[C@H](C(=O)NCCC(=O)NCCSC(=O)c1ccccc1O)O	4HJ	o-[(r)-hydroxy{[(3r)-3-hydroxy-4-{[3-({2-[(2-hydroxybenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl]oxy}phosphoryl]-l-serine
CCc1cc-2c(cc1O[C@H]3CCOC3)Cc4c2n[nH]c4c5ccc(nc5)C#N	4HK	5-{7-ethyl-6-[(3s)-tetrahydrofuran-3-yloxy]-2,4-dihydroindeno[1,2-c]pyrazol-3-yl}pyridine-2-carbonitrile
c1cc(ccc1CN/[NH+]=C/2\C=C(C(=O)C=C2[O-])C[C@@H](C(=O)O)N)O	4HL	(6e)-4-[(2s)-2-amino-2-carboxyethyl]-6-[2-(4-hydroxybenzyl)hydraziniumylidene]-3-oxocyclohexa-1,4-dien-1-olate
COc1cc(ccc1O)OO	4HM	4-hydroperoxy-2-methoxy-phenol
CCOc1ccccc1c2ccc(cc2)c3c(c(c4cnccc4n3)O)C#N	4HN	2-(2'-ethoxybiphenyl-4-yl)-4-hydroxy-1,6-naphthyridine-3-carbonitrile
CC1=CC(=O)N(C=C1)O	4HO	1-hydroxy-4-methylpyridin-2(1h)-one
c1cc(ccc1CC(=O)O)O	4HP	4-hydroxyphenylacetate
CN1CCN(CC1)C(=O)c2c(non2)N	4HQ	(4-amino-1,2,5-oxadiazol-3-yl)(4-methylpiperazin-1-yl)methanone
c1ccc(c(c1)CO)Br	4HR	(2-bromophenyl)methanol
C1=CC(=O)NC=C1Br	4HS	5-bromopyridin-2(1h)-one
c1cc2c(c(c1)O)c(c[nH]2)C[C@@H](C(=O)O)N	4HT	4-hydroxytryptophan
c1cc(nc(c1)Br)CO	4HU	(6-bromopyridin-2-yl)methanol
COc1ccc(cc1OC)c2cc(co2)C(=O)N[C@H](Cc3cccc(c3)C#N)CO	4HV	n-[(2r)-1-(3-cyanophenyl)-3-hydroxypropan-2-yl]-5-(3,4-dimethoxyphenyl)furan-3-carboxamide
c1ccc(cc1)Nc2cc(ncn2)n3c(nc(n3)Nc4ccccc4)N	4HW	n~3~-phenyl-1-[6-(phenylamino)pyrimidin-4-yl]-1h-1,2,4-triazole-3,5-diamine
[H]/N=C(/NCCC[C@@H](C(=O)N([C@@H]1C[C@H](NC1)C(=O)N)O)N)\N[N+](=O)[O-]	4HX	(4r)-4-(hydroxy{n~5~-[imino(nitroamino)methyl]-l-ornithyl}amino)-l-prolinamide
c1cc(c(cc1Oc2c(cc(cc2I)CC(=O)O)I)I)O	4HY	[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]-acetic acid
C[C@@H](C(=O)NCC(F)(F)F)Nc1c(cnc(n1)c2c[nH]c3c2cc(cn3)Cl)F	4HZ	n~2~-[2-(5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-n-(2,2,2-trifluoroethyl)-l-alaninamide
CCc1c(n2cc(ccc2n1)N3CCN(CC3)CC(=O)N4CC[C@H](C4)F)N(C)C5NC(=C(S5)C#N)c6ccc(cc6)F	4I0	2-[[2-ethyl-6-[4-[2-[(3~{r})-3-fluoranylpyrrolidin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-2,3-dihydro-1,3-thiazole-5-carbonitrile
CCCCCCCCCCC/C=C\CCCCC(=O)O	4I1	petroselinic acid
CC(=O)Nc1ccc(cc1)c2csc(n2)Nc3cccc(c3)C(F)(F)F	4I2	n-(4-{2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl}phenyl)acetamide
[H]/N=C(/[C@@H]1CCCN1C(=O)[C@@H]2C[C@@H](CN2C(=O)CCCc3ccccc3)N=[N+]=N)\O	4I4	(5r,6r,8s)-8-(3-{[amino(imino)methyl]amino}phenyl)-5-cyclohexyl-6-hydroxy-3-oxo-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide
c1cc2c(cc1Cl)c3c([nH]2)[C@H](CCCC3)C(=O)N	4I5	(6s)-2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide
C(=O)(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O	4I6	perfluorononanoic acid
COc1ccc(cc1OCc2ccccc2C(F)(F)F)C3=NN(C(=O)[C@H]4[C@@H]3CC=CC4)C5CCN(CC5)c6c7c(ccs7)ncn6	4I7	(4~{a}~{s},8~{a}~{r})-4-[4-methoxy-3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one
COC(=O)c1ccc2c(c1)OC(=O)N2	4I8	methyl 2-oxidanylidene-3~{h}-1,3-benzoxazole-6-carboxylate
Cc1c(cncc1Cl)OC(=O)c2cccc3c2cc[nH]3	4I9	5-chloro-4-methylpyridin-3-yl 1h-indole-4-carboxylate
CC(C)c1ccc(cc1)C(=O)O	4IA	4-propan-2-ylbenzoic acid
CC(C)(c1cc(c(c(c1)I)O)I)c2cc(c(c(c2)I)O)I	4IB	tetraiodobisphenola
c1c(nc[nH]1)/C=C/CC(=O)O	4IC	(3e)-4-(1h-imidazol-4-yl)but-3-enoic acid
Cc1ccc(c(c1)C)S(=O)(=O)C2=CN=C(NC2=O)SCC(=O)Nc3ccccc3C(F)(F)F	4ID	2-({5-[(2,4-dimethylphenyl)sulfonyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)-n-[2-(trifluoromethyl)phenyl]acetamide
CC1([C@H]2CC=C([C@@H]1C2)C[N+](C)(C)Cc3ccc(cc3)c4ccccc4Br)C	4IE	[4-(2-bromophenyl)phenyl]methyl-[[(1r,5s)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-dimethyl-azanium
CCCCCC/C=C\CCCCCCCCCC(=O)O	4IF	cis-vaccenic acid
CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)C(O3)c4cc(cc(c4)F)F)CCCOC	4IG	(2s)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-difluorophenyl)-4-(3-methoxypropyl)-2h-1,4-benzoxazin-3(4h)-one
CS(=O)(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2	4IH	~{n}-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propyl]methanesulfonamide
c1cc(ccc1C[C@@H](C(=O)O)N)N=[N+]=[N-]	4II	(2~{s})-2-azanyl-3-(4-azidophenyl)propanoic acid
c1cc(c2c(c1)NCC2)C(=O)Oc3cc(cnc3)Cl	4IJ	5-chloropyridin-3-yl 2,3-dihydro-1h-indole-4-carboxylate
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)CN)O)O)N	4IK	(2s,5s)-2,6-diamino-5-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid
CC(=CCn1c2cc(ccc2c3c1[C@@H](N4C(=O)[C@@H]5CCCN5C(=O)[C@@]4(C3=O)O)C=C(C)C)OC)C	4IL	13-oxofumitremorgin b
[C@H]1([C@H](C([C@H]([C@@H](C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O	4IM	scyllo-inositol 1,2,3,5-tetrakisphosphate
c1cc(c2c(c1)[nH]cc2C[C@@H](C(=O)O)N)N	4IN	4-amino-l-tryptophan
c1cc(cc(c1)S(=O)(=O)n2ccc3c2ccc(c3)C(=O)Oc4cc(cnc4)Cl)[N+](=O)[O-]	4IO	5-chloropyridin-3-yl 1-(3-nitrobenzene-1-sulfonyl)-1h-indole-5-carboxylate
[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O	4IP	inositol-(1,3,4,5)-tetrakisphosphate
Cc1ccc(cc1)CN2CCS(=O)(=O)N(C2)CCc3ccc(cc3)S(=O)(=O)N	4IQ	4-[2-[4-[(4-methylphenyl)methyl]-1,1-bis(oxidanylidene)-1,2,4-thiadiazinan-2-yl]ethyl]benzenesulfonamide
C[CH]12[CH]3([Ir+2]1456([CH]2(C4(=C53C)C)C)([NH2]CC[NH]6S(=O)(=O)c7ccc(cc7)NC(=O)CCCC[C@H]8[C@@H]9[C@H](CS8)NC(=O)N9)Cl)C	4IR	{n-(4-{[2-(amino-kappan)ethyl]sulfamoyl-kappan}phenyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide}(chloro)[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(iii)
c1cc(c(cc1F)C2=NCCC2)F	4IS	5-[2,5-bis(fluoranyl)phenyl]-3,4-dihydro-2~{h}-pyrrole
[H]/N=C/[C@H](CC1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)c2cc3c([nH]2)cccc3OC	4IT	n-[(2s)-1-({(1e,2s)-1-imino-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1h-indole-2-carboxamide
Cn1c2cc(ccc2nc1CO[C@@H]3C=CO[C@@H]([C@@H]3O)CO)C(=O)O	4IU	2-[[(2r,3r,4r)-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2h-pyran-4-yl]oxymethyl]-3-methyl-benzimidazole-5-carboxylic acid
Cc1c(c(on1)C)COc2ccccc2C(=O)Nc3ccccc3OC	4IV	2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{n}-(2-methoxyphenyl)benzamide
C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)[Se][Se][C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)O	4IW	(2r,3r,4s,5r,6s)-2-(hydroxymethyl)-6-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]diselanyl}oxane-3,4,5-triol (non-preferred name)
c1cc(c(nc1CCCn2cc(nn2)CCCCO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)/C=N\O)O	4IX	(2r,3r,4s,5s,6r)-2-[4-[1-[3-[6-[(z)-hydroxyiminomethyl]-5-oxidanyl-pyridin-2-yl]propyl]-1,2,3-triazol-4-yl]butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)[Se][C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)O	4IZ	beta-d-galactopyranosyl 1-seleno-beta-d-galactopyranoside
c1c(nnn1[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)c3cn(nn3)[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)n5cc(nn5)[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)n7cc(nn7)CCCO[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)O)CO)CO)CCCO[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O	4J0	(2r,3r,4s,5r,6r,2'r,3'r,4's,5'r,6'r)-2,2'-([(2r,3r,4s,5s,6s)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2,5-diyl]bis{1h-1,2,3-triazole-1,4-diyl[(2s,3r,4s,5s,6s)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2,5-diyl]-1h-1,2,3-triazole-1,4-diylpropane-3,1-diyloxy})bis[6-(hydroxymethyl)tetrahydro-2h-pyran-3,4,5-triol]
c1cc(c(nc1CCCCn2cc(nn2)CCCCO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)/C=N\O)O	4J1	(2r,3r,4s,5s,6r)-2-[4-[1-[4-[6-[(z)-hydroxyiminomethyl]-5-oxidanyl-pyridin-2-yl]butyl]-1,2,3-triazol-4-yl]butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
c1ccc2cc(ccc2c1)C[C@H](C(=O)O)N	4J2	(2r)-2-amino-3-(naphthalen-2-yl)propanoic acid
NOS(=O)(=O)N	4J3	amino(aminooxy)sulfane dioxide
c1cc(ccc1CNC(=O)CSC[C@@H](C(=O)O)N)c2ccc(cc2F)F	4J4	s-(2-{[(2',4'-difluorobiphenyl-4-yl)methyl]amino}-2-oxoethyl)-l-cysteine
C(CNC(=[NH2+])N)[C@@H](C(=O)O)N	4J5	amino{[(3s)-3-amino-3-carboxypropyl]amino}methaniminium
C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)CNS(=O)(=O)N)C(=O)O)[C@H](C=O)[C@@H](C)O	4J6	(4r,5s)-5-[(2s,3r)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3s,5s)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1h-pyrrole-2-carboxylic acid
Cc1cc([nH]n1)Nc2c(c(nc(n2)Sc3ccc(cc3F)S(=O)(=O)Cc4cccc(c4F)[N+](=O)[O-])N5CCOCC5)OC	4J7	2-({2-fluoro-4-[(2-fluoro-3-nitrobenzyl)sulfonyl]phenyl}sulfanyl)-5-methoxy-n-(3-methyl-1h-pyrazol-5-yl)-6-(morpholin-4-yl)pyrimidin-4-amine
Cc1ccc(cc1)S(=O)(=O)N	4J8	4-methylbenzenesulfonamide
c1c(nnn1[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)c3cn(nn3)[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)n5cc(nn5)[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)n7cc(nn7)CO[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)O)CO)CO)CO[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O	4J9	(2r,3r,4s,5r,6r,2'r,3'r,4's,5'r,6'r)-2,2'-([(2r,3r,4s,5s,6s)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2,5-diyl]bis{1h-1,2,3-triazole-1,4-diyl[(2s,3r,4s,5s,6s)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2,5-diyl]-1h-1,2,3-triazole-1,4-diylmethanediyloxy})bis[6-(hydroxymethyl)tetrahydro-2h-pyran-3,4,5-triol]
C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H](COP(=O)(O)O)O)O)O)O	4JA	(2s)-3-[(6-deoxy-beta-d-glucopyranosyl)oxy]-2-hydroxypropyl dihydrogen phosphate
CCc1ccc(cc1)S(=O)(=O)N	4JC	4-ethylbenzenesulfonamide
CCCc1ccc(cc1)S(=O)(=O)N	4JE	4-propylbenzenesulfonamide
CC[C@@]1([C@H](C(=O)C2=C3C(=O)c4c(ccc(c4C(=O)C3=C(C2[C@H]1O[C@@H]5C[C@@H]([C@H]([C@@H](O5)C)N(C)C)O)NN)O)O)[C@H]6C(=O)C7=C8C(C(=C7[C@H]([C@@]6(CC)O[C@H]9C[C@@H]([C@H]([C@@H](O9)C)O)OC)O[C@@H]1C[C@@H]([C@H]([C@@H](O1)C)N(C)C)O)NN)C(=O)C1=C(CC=C(C1C8=O)O)O)O[C@H]1C[C@@H]([C@H]([C@@H](O1)C)O)OC	4JF	(1r,1'r,2s,2's,3r,3'r,5ar,10ar,11a's)-2'-[(2,6-dideoxy-3-o-methyl-alpha-l-arabino-hexopyranosyl)oxy]-2,2'-diethyl-11,11 '-dihydrazinyl-6,6',9,9'-tetrahydroxy-4,4',5,5',10,10'-hexaoxo-1,1'-bis{[2,4,6-trideoxy-4-(dimethylamino)-beta-l-arabino -hexopyranosyl]oxy}[2,2',3,3',4,4',5,5',5a,8,10,10',10a,11a'-tetradecahydro-1h,1'h-[3,3'-bibenzo[b]fluorene]]-2-yl 2,6-dideoxy-3-o-methyl-alpha-l-arabino-hexopyranoside
Cc1c(sc(n1)Nc2ccc3ccccc3c2)C(=O)C	4JG	1-[4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]ethanone
c1cc(cc(c1)Br)CN	4JH	1-(3-bromophenyl)methanamine
CC(=O)NCCc1cc(c(cc1C(=O)/C=C/c2cc(ccc2OC)OC)OC)OC	4JI	n-[2-[2-[(e)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-4,5-dimethoxy-phenyl]ethyl]ethanamide
c1cc(c(cc1Cl)N)N	4JJ	4-chlorobenzene-1,2-diamine
[H]/N=C(\CO)/NCCC[C@@H](C(=O)O)N	4JK	(s)-2-amino-5-(2-hydroxyacetimidamido)pentanoic acid
c1cc(ccc1CO)Cl	4JL	(4-chlorophenyl)methanol
CSc1ccc(cc1)N	4JM	4-(methylsulfanyl)aniline
c1cc(ncc1N)Br	4JN	6-bromopyridin-3-amine
Cc1c(ccc(n1)N)Br	4JO	5-bromo-6-methylpyridin-2-amine
c1cc2c(cc[nH]2)nc1	4JP	1h-pyrrolo[3,2-b]pyridine
c1cc2c(cc1N)C=CC(=O)O2	4JQ	6-amino-2h-chromen-2-one
Cn1ccnc1CN2CCC3(CC2)CCN(C3=O)c4ccc(cc4)c5ccccc5	4JR	2-(biphenyl-4-yl)-8-[(1-methyl-1h-imidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CCC(=O)Nc1cc2ccccc2nc1	4JS	n-(quinolin-3-yl)propanamide
c1ccc2c(c1)N=C(CS2)N	4JT	2h-1,4-benzothiazin-3-amine
CC1CCC(CC1)N	4JU	trans-4-methylcyclohexanamine
Cc1ccc(cc1)COc2cccc3c2c(nc(n3)N)N	4JV	5-[(4-methylbenzyl)oxy]quinazoline-2,4-diamine
CN(c1ccccc1)C(=O)[C@@H]2COc3ccccc3O2	4JW	(2s)-n-methyl-n-phenyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Cc1cc(n2c(n1)c(cn2)C(=O)NC3[C@@H]4CC5C[C@H]3CC(C4)(C5)O)C	4JX	n-[(1r,2s,3s,5s,7s)-5-hydroxytricyclo[3.3.1.1~3,7~]dec-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
[H]/N=C(\c1ccc(cc1)N[C@H](c2cc(cc(c2F)OC(C)C)OCC)c3[nH]cc(n3)c4ccccc4)/N	4JY	4-[[(r)-(5-ethoxy-2-fluoranyl-3-propan-2-yloxy-phenyl)-(4-phenyl-1h-imidazol-2-yl)methyl]amino]benzenecarboximidamide
Cc1ccc(cc1)N2C(=NC(=O)Nc3cc(n[nH]3)COc4cccnc4)C=C(N2)C(C)(C)C	4JZ	1-[5-tert-butyl-2-(4-methylphenyl)-1,2-dihydro-3h-pyrazol-3-ylidene]-3-{3-[(pyridin-3-yloxy)methyl]-1h-pyrazol-5-yl}urea
c1cc2c(c[nH]c2nc1)Cc3nnc4n3nc(cn4)c5ccc(cc5)C#N	4K0	4-[3-(1h-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzenecarbonitrile
[H]/N=C(\c1ccc(cc1)N[C@H](c2cc(cc(c2F)OC(C)C)OCC)c3[nH]cc(n3)c4ccccc4C(=O)N)/N	4K1	2-[2-[(r)-[(4-carbamimidoylphenyl)amino]-(5-ethoxy-2-fluoranyl-3-propan-2-yloxy-phenyl)methyl]-1h-imidazol-4-yl]benzamide
c1cc2cccnc2c(c1)OC(=O)N3CCCCC3	4K2	quinolin-8-yl piperidine-1-carboxylate
c1ccc(cc1)NC(=O)CCS	4K3	n-phenyl-3-sulfanylpropanamide
CN1CCN(CC1)C2CCN(CC2)C(=O)c3ccc(c(c3)OC)Nc4ncc5c(n4)N(c6ccccc6C(=O)N5C)C	4K4	2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one
COc1cc(c(cc1Nc2ncc(c(n2)NC3CC3)C(F)(F)F)F)C(=O)N4CCOCC4	4K5	(4-{[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-2-fluoro-5-methoxyphenyl)(morpholin-4-yl)methanone
Cc1cc2c(cc1C)nc([nH]2)CCNC(=O)c3ccc(cc3)n4cnnc4	4K6	n-[2-(5,6-dimethyl-1h-benzimidazol-2-yl)ethyl]-4-(4h-1,2,4-triazol-4-yl)benzamide
Cc1ccc(cc1)CNC(=O)N2CCC[C@@]3(C2)CCN(C3)Cc4ccc(c(c4)Cl)Cl	4K7	(5r)-2-(3,4-dichlorobenzyl)-n-(4-methylbenzyl)-2,7-diazaspiro[4.5]decane-7-carboxamide
c1ccc2cnc(cc2c1)C(=O)O	4K8	isoquinoline-3-carboxylic acid
c1ccc2c(c1)CCCN2C(=O)c3ccc(cc3)S(=O)(=O)N	4K9	4-(3,4-dihydroquinolin-1(2h)-ylcarbonyl)benzenesulfonamide
Cc1c2c(c[nH]n2)[nH]n1	4KA	3-methyl-1,5-dihydropyrazolo[4,3-c]pyrazole
c1cc(ccc1C(=O)N2CCc3cc(c(cc3C2)O)O)S(=O)(=O)N	4KB	4-[(6,7-dihydroxy-3,4-dihydroisoquinolin-2(1h)-yl)carbonyl]benzenesulfonamide
c1ccc2c(c1)CCN(C2)C(=O)c3ccc(cc3)S(=O)(=O)N	4KC	4-(3,4-dihydroisoquinolin-2(1h)-ylcarbonyl)benzenesulfonamide
COc1cc2c(cc1OC)CN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N	4KD	4-[(6,7-dimethoxy-3,4-dihydro-1h-isoquinolin-2-yl)carbonyl]benzenesulfonamide
c1cc(ccc1/C=C/C(=O)O[C@@H]2CC(=C[C@H]([C@@H]2O)O)C(=O)O)O	4KE	(3r,4s,5r)-3,4-dihydroxy-5-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohex-1-ene-1-carboxylic acid
CC[C@H](C)[C@@H]([C@H](C(=O)NCc1cc(cc(c1)OC)OC)O)C(=O)O	4KF	(2s,3s)-2-{(1r)-2-[(3,5-dimethoxybenzyl)amino]-1-hydroxy-2-oxoethyl}-3-methylpentanoic acid
c1ccc(cc1)c2ccc3c(c2)N=C(N(C3=O)C[C@H]4CC[C@H](O4)c5ccccc5)N	4KG	2-amino-7-phenyl-3-{[(2r,5s)-5-phenyltetrahydrofuran-2-yl]methyl}quinazolin-4(3h)-one
c1ccc(c(c1)C(=O)Nc2nc(cs2)c3ccncc3)F	4KH	2-fluoro-n-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]benzamide
[H]/N=C(/N=C/CC[C@@H](C(=O)O)N)\N(C)OC	4KJ	(5e)-5-[(n-methoxy-n-methylcarbamimidoyl)imino]-l-norvaline
COc1cccc(c1)CC(=O)Nc2nc(cs2)c3ccncc3	4KK	2-(3-methoxyphenyl)-n-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]acetamide
c1cc2c(cc(nc2c(c1)O)C(=O)O)O	4KL	xanthuric acid
CC(=O)N(C)c1ccc(cc1)OCc2ccc(cc2C(=O)OC(C)(C)C)C(F)(F)F	4KM	tert-butyl 2-[[4-[ethanoyl(methyl)amino]phenoxy]methyl]-5-(trifluoromethyl)benzoate
c1cc(ccc1OCC(=O)c2ccc(c(c2O)O)O)F	4KN	2-(4-fluorophenoxy)-1-(2,3,4-trihydroxyphenyl)ethanone
Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)CSCC#N)OC)SC2)C(=O)O	4KO	(6r,7s)-7-({[(cyanomethyl)sulfanyl]acetyl}amino)-7-methoxy-3-{[(1-methyl-1h-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia -1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
c1ccc(cc1)P(CCCCCCn2c3c(c(ncn3)N)nc2Sc4cc5c(cc4I)OCO5)(c6ccccc6)c7ccccc7	4KP	8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-9-[6-(triphenyl-lambda~5~-phosphanyl)hexyl]-9h-purin-6-amine
CC(C)(C)OC(=O)c1c(ccc(c1O)C(F)(F)F)COc2ccc(cc2)c3ccc(cc3)CC(=O)O	4KQ	2-[4-[4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxidanyl-4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]ethanoic acid
CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)N)SC1)C(=O)O	4KR	7-aminocephalosporanic acid
COc1ccc(cc1)O	4KS	4-methoxyphenol
COc1ccc(cc1c2ccnc(c2)Nc3ccc(c(c3)OC)N4CCOCC4)C#N	4KT	4-methoxy-3-[2-[(3-methoxy-4-morpholin-4-yl-phenyl)amino]pyridin-4-yl]benzenecarbonitrile
c1cc(c(cc1NCS)S(=O)(=O)O)CCc2ccc(cc2S(=O)(=O)O)NCS	4KU	2,2'-ethane-1,2-diylbis{5-[(sulfanylmethyl)amino]benzenesulfonic acid}
CCSC1=[S][Pt](OC(=C1)c2cccc(c2)O)(S(C)(C)O)Cl	4KV	3-[2-chloranyl-2-[dimethyl(oxidanyl)-{4}-sulfanyl]-4-ethylsulfanyl-1-oxa-3{3}-thia-2{4}-platinacyclohexa-3,5-dien-6-yl]phenol
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C4=CCCCC4)O	4KW	1-monoenoyl-coa
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C4=CCCC=C4)O	4KX	1,5 dienoyl-coa
CC(=O)N1C[C@@H](C[C@H]1C(=O)O)OCCCCCCC=C	4KY	(4r)-1-acetyl-4-(oct-7-en-1-yloxy)-l-proline
B([C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)c3cnccn3)(O)O	4KZ	n-[(1r)-1-(dihydroxyboranyl)-2-phenylethyl]-nalpha-(pyrazin-2-ylcarbonyl)-l-phenylalaninamide
CCCCCCO[C@@H]1C[C@H](N(C1)C(=O)C)C(=O)O	4L0	(4r)-1-acetyl-4-(hexyloxy)-l-proline
CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4ccc5c(c4)nc([nH]5)c6ccccn6	4L1	5-(4-methylpiperazin-1-yl)-2'-(pyridin-2-yl)-1h,1'h-2,5'-bibenzimidazole
CC1=CC(=O)N(c2c1ccc(c2)N3CCCCC3=O)C	4L2	1,4-dimethyl-7-(2-oxopiperidin-1-yl)quinolin-2(1h)-one
CC1=CC(=O)N(c2c1ccc(c2)N3[C@@H]([C@H](CCC3=O)NC(=O)OC(C)(C)C)c4ccccc4)C	4L3	tert-butyl [(2r,3s)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxo-2-phenylpiperidin-3-yl]carbamate
C/C(=C\c1ccc(c(c1)O)O[C@H]2[C@H]([C@@H]([C@H](O2)C(=O)C)O)O)/C(=O)N[C@@H]3[C@H]([C@@H]([C@H]4[C@@H]([C@H]3O)OCO4)O)O	4L4	hygromycin a
CC(C)Nc1ccc2ncc(n2n1)c3ccc(c(c3)OC)C(=O)N	4L5	2-methoxy-4-[6-(propan-2-ylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide
Cc1cc2cn[nH]c2cc1c3cccc4c3nnc(c4N)C(=O)N	4L6	4-amino-8-(5-methyl-1h-indazol-6-yl)cinnoline-3-carboxamide
c1cc2c(cc1[C@H]3CNC[C@@H]3C(=O)c4ccc(s4)Br)N=CNC2=O	4L7	7-{(3s,4r)-4-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}quinazolin-4(3h)-one
CC(C)C[C@H](CN)C(=O)O	4L8	(2r)-2-(aminomethyl)-4-methylpentanoic acid
C[C@@H](C(=O)N[C@H]1CC=C[C@@H](N(C1=O)C)c2ccccc2)NC(=O)Cc3cc(cc(c3)F)F	4L9	n~2~-[(3,5-difluorophenyl)acetyl]-n-[(3s,7r)-1-methyl-2-oxo-7-phenyl-2,3,4,7-tetrahydro-1h-azepin-3-yl]-l-alaninamide
B123B45B167B289B31B823B966B744B622[C@@]45C321C(=O)n1c(c(c2c1ccc(c2)OC)CC(=O)OC)C	4LA	(r)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1h-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate
c1ccc(c(c1)COC(=O)NCC2CCC(CC2)C(=O)O)Cl	4LB	trans-4-[({[(2-chlorobenzyl)oxy]carbonyl}amino)methyl]cyclohexanecarboxylic acid
Cn1c2cc(ccc2nc1c3c[nH]c4c3ccc(c4)C#N)C(=O)N5CCO[C@H]([C@@H]5CO)c6ccccc6	4LC	3-(6-{[(2s,3s)-3-(hydroxymethyl)-2-phenylmorpholin-4-yl]carbonyl}-1-methyl-1h-benzimidazol-2-yl)-1h-indole-6-carbonitrile
Cc1c(c(n[nH]1)C2CC2)c3c4c(ccn3)[nH]c5c4cc(c(c5)c6c(noc6C)C)OC	4LD	1-(3-cyclopropyl-5-methyl-1h-pyrazol-4-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-5h-pyrido[4,3-b]indole
[C@@H](C(F)(F)F)(OC(F)F)Cl	4LE	(2r)-2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane
c1cc(c(c(c1)O)O)C(=O)NCCN2C(=O)C=CC2=O	4LF	n-[2-[2,5-bis(oxidanylidene)pyrrol-1-yl]ethyl]-2,3-bis(oxidanyl)benzamide
COc1ccccc1COCCCOc2ccc(cc2)N3[C@H](CNCC3=O)COc4ccc5ccn(c5c4)CC(=O)OC	4LG	methyl (6-{[(2r)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)-6-oxopiperazin-2-yl]methoxy}-1h-indol-1-yl)acetate
CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)NCc4cccc(c4)NC(=O)C=C)Cl	4LH	n-(3-{[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]methyl}phenyl)prop-2-enamide
Cc1cccc(c1Nc2nc(nc(n2)N3CCN(CC3)c4ccccc4Cl)[N@@]5CSC[C@H]5C(=O)NC)C(=O)NC	4LI	(4r)-3-(4-[4-(2-chlorophenyl)piperazin-1-yl]-6-{[2-methyl-6-(methylcarbamoyl)phenyl]amino}-1,3,5-triazin-2-yl)-n-methyl-1,3-thiazolidine-4-carboxamide
C(CN)CBr	4LJ	1.7.6 3-bromanylpropan-1-amine 
COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4ccc(cc4F)N5CCOC5=O	4LK	3-[3-fluoranyl-4-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one
CCCCNc1ccc2cccc(c2n1)O	4LL	2-(butylamino)quinolin-8-ol
C/C=C(\C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O	4LM	(2e)-2-{[(1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}but-2-enoic acid
Cc1ccc(c2n1nc3c2C[C@](CC3)(C)NC(=O)c4ccc(cc4)n5cnnc5)O	4LN	n-[(2r)-10-hydroxy-2,7-dimethyl-1,2,3,4-tetrahydropyrido[1,2-b]indazol-2-yl]-4-(4h-1,2,4-triazol-4-yl)benzamide
Cc1cc(c(cc1C2CCN(CC2)C)OC(C)C)Nc3nc4c(c[nH]n4)c(n3)Nc5ccccc5S(=O)(=O)C(C)C	4LO	n~6~-[5-methyl-4-(1-methylpiperidin-4-yl)-2-(propan-2-yloxy)phenyl]-n~4~-[2-(propan-2-ylsulfonyl)phenyl]-2h-pyrazolo[3,4-d]pyrimidine-4,6-diamine
CC1(c2c(ccc(c2F)N3C=C(C(=O)C(=N3)c4ccnn4c5ccccc5)OC)N(C1=O)CC6CC6)C	4LP	1-(cyclopropylmethyl)-4-fluoranyl-5-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]-3,3-dimethyl-indol-2-one
CCn1c(nnc1CCC(=O)Nc2cccc3c2cccc3)CCC4CCCCC4	4LQ	3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-n-naphthalen-1-yl-propanamide
CC(=CCOP(=O)(O)O)C	4LR	dimethylallyl monophosphate
Cc1cc2c(cc1C)N(C3=C(N2CC=C(C)C)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	4LS	1-deoxy-1-[7,8-dimethyl-5-(3-methylbut-2-en-1-yl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-5-o-phosphono -d-ribitol
C[C@H](C(=O)O)F	4LT	(2r)-2-fluoropropanoic acid
Cc1cc2c3c(c1C)C(CC=[N+]3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)(C)C	4LU	1-deoxy-5-o-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7h-quinolino[1,8-fg]pteridin-12-ium-7-y l)-d-ribitol
C/C(=C\c1ccccc1)/C(=O)O	4LV	(2e)-2-methyl-3-phenylprop-2-enoic acid
c1ccc(cc1)/C=C(/C(=O)O)\F	4LW	(2z)-2-fluoro-3-phenylprop-2-enoic acid
CCCCCCCCCCCCCCCCCCCCCCCCCC(=S)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	4LX	n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanethioamide
CCS(=O)(=O)N1CC(C1)(CC#N)n2cc(cn2)c3c4cc[nH]c4nc(n3)Nc5cc(c(c(c5)F)C6=CCN(CC6)C)F	4LY	[3-(4-{2-[3,5-difluoro-4-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)anilino]-7h-pyrrolo[2,3-d]pyrimidin-4-yl}-1h-pyrazol-1-yl)-1-(ethanesulfonyl)azetidin-3-yl]acetonitrile
c1cc(ccc1C[C@@H](C(=O)O)N)OCCN=[N+]=N	4LZ	o-[2-(triaza-1,2-dien-2-ium-1-yl)ethyl]-l-tyrosine
Cc1ccc(c(c1)N)C(=O)O	4M0	2-azanyl-4-methyl-benzoic acid
Cc1cc2c(cc1C)nc([nH]2)[C@@H](CNC(=O)c3c(cc(cc3Cl)n4cnnc4)Cl)c5ccccc5	4M1	2,6-dichloro-n-[(2r)-2-(5,6-dimethyl-1h-benzimidazol-2-yl)-2-phenylethyl]-4-(4h-1,2,4-triazol-4-yl)benzamide
C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC/C(=C/2\[C@H]([C@@H]([C@H](O2)Oc3ccc(cc3)/C=C(\C)/C(=O)N[C@@H]4[C@H](O[C@H]([C@@H]4O)n5cnc6c5ncnc6N(C)C)CO)O)O)/OC)O)OC)OC	4M2	3'-deoxy-3'-{[(2e)-3-(4-{[(4z)-6-o-(6-deoxy-3,4-di-o-methyl-alpha-d-mannopyranosyl)-5-o-methyl-alpha-d-threo-hex-4-enofuranosyl]oxy}phenyl)-2-methylprop-2-enoyl]amino}-n,n-dimethyladenosine
[H]/N=C(\c1ccc(cc1)C(=O)NCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](c2ccccc2)C(=O)O)/N	4M3	n-(4-carbamimidoylbenzoyl)-beta-alanyl-n-[(s)-carboxy(phenyl)methyl]-l-alpha-asparagine
COc1cc(ccc1O)C=C	4M4	2-methoxy-4-vinylphenol
CC/C=C\CC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O	4M5	(4~{z},7~{z},10~{z},13~{z},19~{z})-17-oxidanylidenedocosa-4,7,10,13,19-pentaenoic acid
c1ccc2c(c1)cccc2OCCCc3c4cccc5c4n(c3C(=O)O)CCC5	4M6	1-[3-(naphthalen-1-yloxy)propyl]-5,6-dihydro-4h-pyrrolo[3,2,1-ij]quinoline-2-carboxylic acid
c1ccc2c(c1)cccc2OCCCc3c4cccc5c4n(c3C(=O)O)CCCS5=O	4M7	(1r)-7-[3-(naphthalen-1-yloxy)propyl]-3,4-dihydro-2h-[1,4]thiazepino[2,3,4-hi]indole-6-carboxylic acid 1-oxide
CO[P@](=O)(CC[C@@H](C(=O)O)N)O	4M8	(2s)-2-amino-4-[(s)-hydroxy(methoxy)phosphoryl]butanoic acid
[H]/N=C(/CCC(=O)N)\C1=N/C(=C\c2c[nH]c3c2cccc3)/C(=O)N1CC=O	4M9	(4z)-4-imino-4-[(4z)-4-(1h-indol-3-ylmethylidene)-5-oxo-1-(2-oxoethyl)-4,5-dihydro-1h-imidazol-2-yl]butanamide
Cc1ccc(cc1)C(=O)O	4MA	4-methylbenzoic acid
CS(=O)(=O)Nc1ccc(cc1)C(=O)O	4MB	4-[(methylsulfonyl)amino]benzoic acid
[H]/N=C(\N)/NCCC[C@@H](C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c2ccccc2)NC(=O)N3CCN(CC3)C	4MC	(z)-n-(5-guanidino-1-oxo-1-(5-phenyl-1-(phenylsulfonyl)pent-1-en-3-ylamino)pentan-2-yl)-4-methylpiperazine-1-carboxamid e
C[N@@](Cc1ccc(cc1)Cl)S(=O)(=O)c2ccc(cc2)S(=O)(=O)N	4MD	n-(4-chlorobenzyl)-n-methylbenzene-1,4-disulfonamide
COC(=O)c1cccc2c1cc[nH]2	4ME	methyl 1h-indole-4-carboxylate
Cc1cccc2c1ccn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	4MF	1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-4-methyl-1h-indole
Cc1c(n(c2c1cc(cc2)Nc3nccc(n3)n4cc(c(n4)C)CN5CC(C5)O)C)C	4MG	1-[(3-methyl-1-{2-[(1,2,3-trimethyl-1h-indol-5-yl)amino]pyrimidin-4-yl}-1h-pyrazol-4-yl)methyl]azetidin-3-ol
CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)NCc3ccc(cc3)S(=O)(=O)N	4MH	2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-n-(4-sulfamoylbenzyl)pyrimidine-5-carboxamide
CSc1ccc(cc1)C(=O)O	4MI	4-methylsulfanylbenzoic acid
Cc1cc2c3c(c1C)C(C[C@H](N3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)C(=O)Cc5ccccc5)(C)C	4MJ	1-deoxy-5-o-phosphono-1-[(1s)-3,3,4,5-tetramethyl-9,11-dioxo-1-(phenylacetyl)-2,3,8,9,10,11-hexahydro-1h,7h-quinolino[1 ,8-fg]pteridin-7-yl]-d-ribitol
Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	4MK	5-chloro-n~2~-[5-methyl-4-(piperidin-4-yl)-2-(propan-2-yloxy)phenyl]-n~4~-[2-(propan-2-ylsulfonyl)phenyl]pyrimidine-2,4-diamine
C[C@@]1(C=CC(=O)O1)CC(=O)O	4ML	[(2s)-2-methyl-5-oxo-2,5-dihydrofuran-2-yl]acetic acid
C[N+](C)(C)[C@@H](CCSC)C(=O)O	4MM	n,n,n-trimethylmethionine
Cc1ccc(cc1)N	4MN	4-methylaniline
[Mo+4]	4MO	molybdenum(iv) ion
COc1ccc(cc1)C(=O)N2CCCC2=O	4MP	1-(4-methoxybenzoyl)-2-pyrrolidinone
CN1CCCN(CC1)c2c3ccccc3ncn2	4MQ	4-(4-methyl-1,4-diazepan-1-yl)quinazoline
c1ccc(cc1)Oc2ccc(cc2)C3(C(=O)NC(=O)NC3=O)N4CCN(CC4)c5ncccn5	4MR	5-(4-phenoxyphenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-2,4,6(2h,3h)-trione
CC(C)(C)[C@H]1C(=C(C(=O)N1Cc2ccc(c(c2)Cl)F)C3=NS(=O)(=O)c4c3cccc4CNS(=O)(=O)C)O	4MS	n-({3-[(5s)-5-tert-butyl-1-(3-chloro-4-fluorobenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1h-pyrrol-3-yl]-1,1-dioxido-1,2-benzis othiazol-7-yl}methyl)methanesulfonamide
c1cc(ccc1CCNC=S)O	4MT	n-[2-(4-hydroxyphenyl)ethyl]thioformamide
CC1=CC(=O)Oc2c1ccc(c2)O	4MU	7-hydroxy-4-methyl-2h-chromen-2-one
CC(C)CCC(=O)O	4MV	4-methyl valeric acid
Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCCCCNC(=O)COc4cccc5c4C(=O)N(C5=O)[C@H]6CCC(=O)NC6=O)c7ccc(cc7)Cl)C	4MW	2-[(6s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-n-(4-{[({2-[(3s)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1h-isoindol-4-yl}oxy)acetyl]amino}butyl)acetamide
CCCCCc1cc(cc(c1C(=O)O)O)O	4MX	2,4-bis(oxidanyl)-6-pentyl-benzoic acid
[C@H]1([C@@H]([C@@H]([C@H]([C@@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)O	4MY	myo inositol 3,4,5,6 tetrakisphosphate
Cc1c[nH]cn1	4MZ	4-methylimidazole
c1ccc2c(c1)[C@@H](CC(=O)N2)C(=O)Nc3ccc(cc3)I	4N0	(4~{r})-~{n}-(4-iodophenyl)-2-oxidanylidene-3,4-dihydro-1~{h}-quinoline-4-carboxamide
Cc1c[n+](c(c(c1OC)C)CS)c2[nH]c3c(n2)ccc(n3)OC	4N1	4-methoxy-1-(5-methoxy-3h-imidazo[4,5-b]pyridin-2-yl)-3,5-dimethyl-2-(sulfanylmethyl)pyridin-1-ium
C([C@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O	4N2	beta-l-idopyranose
CCCCCCCC(=O)N[C@H](C(C)C)C(=O)O	4N3	n-octanoyl-d-valine
CC(=O)c1cccc(c1)n2c(nnn2)S(=O)(=O)Cc3cccc(c3)Cl	4N5	1-(3-{5-[(3-chlorobenzyl)sulfonyl]-1h-tetrazol-1-yl}phenyl)ethanone
c1c(c(c2c(c1Cl)non2)[N+](=O)[O-])NCCO	4N6	2-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethanol
Cc1ccc(cc1)C(=O)/C=C(/c2ccccc2)\N3CCC[C@H]3C(=O)O	4N7	1-[(1z)-3-(4-methylphenyl)-3-oxo-1-phenylprop-1-en-1-yl]-l-proline
c1cc(oc1)CNC(=S)N2CCC[C@H]2C(=O)O	4N8	1-[(furan-2-ylmethyl)carbamothioyl]-l-proline
c1cc(ccc1CNC(=S)N2CCC[C@H]2C(=O)O)C#N	4N9	1-[(4-cyanobenzyl)carbamothioyl]-l-proline
c1cc(ccc1c2ccc3c(c2)ccc(c3Cl)O)O	4NA	1-chloro-6-(4-hydroxyphenyl)-2-naphthol
c1cc(ccc1C(=O)O)[N+](=O)[O-]	4NB	4-nitrobenzoic acid
c1cc(c(cc1[N+](=O)[O-])O)O	4NC	4-nitrocatechol
c1ccc(cc1)N(c2ccccc2)C(=O)NNC(=N)N	4ND	n4-(n,n-diphenylcarbamoyl)-aminoguanidine
CCCC[P+](CCCC)(CCCC)CCCC	4NE	tetrabutylphosphonium
c1cc(ccc1NC=S)[N+](=O)[O-]	4NF	n-(4-nitrophenyl)thioformamide
C1[C@@H](C(=O)N([C@H]1O)O)P(=O)(O)O	4NG	[(3s,5s)-1,5-dihydroxy-2-oxopyrrolidin-3-yl]phosphonic acid
CC1([C@@H](N(CCS1)S(=O)(=O)c2ccc(cc2)OCC#CCN)C(=O)NO)C	4NH	4-({4-[(4-aminobut-2-ynyl)oxy]phenyl}sulfonyl)-n-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide
C(CC(=O)O)C[N+](=O)[O-]	4NI	4-nitrobutanoic acid
CN1C(=O)C(=C([C@]1(Cc2ccc(cc2)Cl)O)c3c[nH]c4c3ccc(c4)Cl)Cc5ccc(cc5)Cl	4NJ	(5s)-3,5-bis(4-chlorobenzyl)-4-(6-chloro-1h-indol-3-yl)-5-hydroxy-1-methyl-1,5-dihydro-2h-pyrrol-2-one
C[N+](C)(C)[C@@H](Cc1c[nH]c(n1)S(=O)C[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+])C(=O)O	4NK	(1s)-1-carboxy-4-({(1r)-1-carboxy-2-[(s)-{4-[(2s)-2-carboxy-2-(trimethylammonio)ethyl]-1h-imidazol-2-yl}sulfinyl]ethyl}amino)-4-oxobutan-1-aminium
c1cc(ccc1N)O	4NL	4-aminophenol
c1cc(ccc1CS)[N+](=O)O	4NM	4-nitrophenyl methanethiol
CC(=O)NC1=C[C@@H]([C@H](OC1=O)CO)O	4NN	n-[(5s,6r)-5-hydroxy-6-(hydroxymethyl)-2-oxo-5,6-dihydro-2h-pyran-3-yl]acetamide
c1cc(c(cc1[N+](=O)[O-])P(=O)(O)O)C(=O)O	4NO	4-nitro-2-phosphonobenzoic acid
c1cc(ccc1[N+](=O)[O-])OP(=O)(O)O	4NP	4-nitrophenyl phosphate
c1cc(ccc1c2cnc-3[nH]c(nc(c23)N)N)F	4NR	5-(4-fluorophenyl)-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine
c1cc(ccc1[N+](=O)[O-])OS(=O)(=O)O	4NS	4-nitrophenyl sulfate
C[C@H]([C@@H](C1=N/C(=C\c2ccc(c(c2)Cl)O)/C(=O)N1CC(=O)O)N)O	4NT	[(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-(3-chloro-4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
C[C@H]([C@@H](C1=N/C(=C\C2C=C(C(=O)C(=C2)Cl)Cl)/C(=O)N1CC(=O)O)N)O	4NU	{(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-yl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
c1cc(ccc1CC2=C([C@](OC2=O)(Cc3ccc(cc3)Cl)O)c4c[nH]c5c4ccc(c5)Cl)Cl	4NX	(5r)-3,5-bis(4-chlorobenzyl)-4-(6-chloro-1h-indol-3-yl)-5-hydroxyfuran-2(5h)-one
c1cc(ccc1Cn2cc(c3c2cc(cc3)Cl)/C=C(\C#N)/c4ccc(cc4)C(=O)O)F	4NY	4-{(z)-2-[6-chloro-1-(4-fluorobenzyl)-1h-indol-3-yl]-1-cyanoethenyl}benzoic acid
c1cc(ccc1[N+](=O)[O-])S(=O)(=O)N	4NZ	4-nitrobenzenesulfonamide
Cc1c(c2ccc(c(c2n1CC(=O)N3CC4(CC4)c5c3cccc5)F)Cl)Sc6cccc(c6F)C(=O)O	4O0	3-({6-chloro-7-fluoro-2-methyl-1-[2-oxo-2-(spiro[cyclopropane-1,3'-indol]-1'(2'h)-yl)ethyl]-1h-indol-3-yl}sulfanyl)-2-fluorobenzoic acid
C[C@@H](C(=O)N1CCCN(CC1)C)N2CC[C@@H](C2=O)N(CC(=O)N)S(=O)(=O)c3ccc4cc(ccc4c3)Cl	4O1	n~2~-[(6-chloronaphthalen-2-yl)sulfonyl]-n~2~-{(3s)-1-[(2s)-1-(4-methyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}glycinamide
c1ccc2c(c1)c3c(n2Cc4ccc(cc4)F)CN5[C@@H](C3)C(=O)N(C5=O)CCC(=O)O	4O2	3-[(11as)-6-(4-fluorobenzyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1h-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3h)-yl]propanoic acid
c1ccc2c(c1)c3c(n2Cc4ccc(cc4)F)CN5[C@@H](C3)C(=O)NC5=O	4O3	(11as)-6-(4-fluorobenzyl)-5,6,11,11a-tetrahydro-1h-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2h)-dione
CCC(=O)CN([C@H]1C=CN(C1=O)[C@@H](C)C(=O)N2CCOCC2)S(=O)(=O)c3ccc4cc(ccc4c3)Cl	4O4	6-chloro-n-{(3s)-1-[(2s)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxo-2,3-dihydro-1h-pyrrol-3-yl}-n-(2-oxobutyl)naphthalene-2-sulfonamide
CNC(=O)c1ccc(c(c1)F)N2C=C[C@@H](C2=O)NS(=O)(=O)/C=C/c3ccc(s3)Cl	4O5	4-[(3s)-3-({[(e)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}amino)-2-oxo-2,3-dihydro-1h-pyrrol-1-yl]-3-fluoro-n-methylbenzamide
C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)/C=C/c3ccc(cc3)Cl	4O6	(e)-2-(4-chlorophenyl)-n-{(3s)-1-[(2s)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}ethenesulfonamide
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3-c6n2c7ccccc7c6[C@@H]8[C@H]5[C@H](NC8)O)NC)OC	4O7	(5s,6r,7r,9r,13cr,14r,16as)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,14,15,16,16a-octahydro-5h,13ch-5,9-epoxy-4b,9a,1 5-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-ol
c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(cc(cc2F)Br)F	4O8	{2-[(4-bromo-2,6-difluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(cc(cc2F)I)F	4O9	{5-chloro-2-[(2,6-difluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C	4OA	(3beta,5beta,14beta,17alpha)-3-hydroxycholan-24-oic acid
c1ccc(cc1)/N=C(\c2cccc(c2)C(F)(F)F)/NO	4OB	n-hydroxy-n'-phenyl-3-(trifluoromethyl)benzenecarboximidamide
CNC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC	4OC	4n,o2'-methylcytidine-5'-monophosphate
c1cc(cc(c1)Br)/N=C(\c2ccc(c(c2)C(F)(F)F)F)/NO	4OD	n'-(3-bromophenyl)-4-fluoro-n-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
c1cc(ccc1c2c(cn[nH]2)c3ccc(c(c3)C(F)(F)F)F)F	4OE	5-(4-fluorophenyl)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1h-pyrazole
CC(C)(C)S(=O)(=O)Nc1cc(ccc1Cl)Nc2c(cnc(n2)Nc3ccc(c(c3)F)C4CCN(CC4)C)C(F)(F)F	4OF	n-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide
c1ccc2c(c1)c(cs2)C[C@@H](C(=O)O)N	4OG	3-(1-benzothiophen-3-yl)-l-alanine
C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1[C@H]([C@H]([C@@H]2O)O)O)O	4OH	(14beta,15alpha,16alpha,17alpha)-estra-1,3,5(10)-triene-3,15,16,17-tetrol
c1cc(cnc1)[C@@H]2C[C@H]2C(=O)Nc3c[nH]nc3	4OI	(1~{r},2~{r})-~{n}-(1~{h}-pyrazol-4-yl)-2-pyridin-3-yl-cyclopropane-1-carboxamide
Cc1ccccc1OP(=O)(O)O	4OJ	(2-methylphenyl) dihydrogen phosphate
c1cc(c(cc1c2cc3c4cc(ccc4[nH]c3c(c2)C(=O)N)C(=O)N5CCOCC5)Cl)Cl	4OK	3-(3,4-dichlorophenyl)-6-(morpholin-4-ylcarbonyl)-9h-carbazole-1-carboxamide
C1=CC(=O)N(C(=C1)C(=O)NCCCN(CCCCN(CCCNC(=O)C2=CC=CC(=O)N2O)C(=O)C3=CC=CC(=O)N3O)C(=O)C4=CC=CC(=O)N4O)O	4OL	n,n'-butane-1,4-diylbis[1-hydroxy-n-(3-{[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)carbonyl]amino}propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide]
CCCC[C@H](CCCC[C@H](C)Cc1cc(cc(c1)O)O)F	4ON	5-[(2s,7r)-7-fluoranyl-2-methyl-undecyl]benzene-1,3-diol
c1cc(ccc1C[C@@H](C(=O)O)N)N=[N+]=N	4OO	4-triaza-1,2-dien-2-ium-1-yl-l-phenylalanine
C[N+]1(C[C@@H](C[C@@H]1C(=O)O)O)C	4OP	(2s,4s)-2-carboxy-4-hydroxy-1,1-dimethylpyrrolidinium
CCN1c2ccc(cc2C(=Nc3c1ccc(c3)F)N4CCN(CC4)C)Cl	4OQ	2-chloro-5-ethyl-8-fluoro-11-(4-methylpiperazin-1-yl)-dibenzodiazepine
CCN1c2ccc(cc2C(=Nc3c1ccc(c3)F)N[C@H]4CCN(C4)C(=O)NC(C)(C)C)Cl	4OR	(s)-n-(tert-butyl)-3-((2-chloro-5-ethyl-8-fluoro-dibenzodiazepin-11-yl)amino)pyrrolidine-1-carboxamide
COc1ccc(cc1)S(=O)(=O)O	4OS	4-methoxybenzenesulfonic acid
Cc1nc(c(s1)c2ccccc2F)C(=O)N3CCC[C@H]3Cc4nnc(o4)c5ccccc5	4OT	[5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]{(2s)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-1-yl}methanone
C=CC(=O)Nc1ccc(cc1)C[C@@H](C(=O)O)N	4OU	4-(acryloylamino)-l-phenylalanine
CC1=C(N[C@H](SC1)[C@@H](C(=O)OC[C@@H](C(=O)O)N)NC(=O)[C@@H](c2ccccc2)N)C(=O)O	4OV	(2r)-2-[(1r)-2-[(2s)-2-amino-2-carboxyethoxy]-1-{[(2r)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(c(c3)F)C4CCN(CC4)C	4OW	n-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-methylpyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide
C(CCC(=O)CCC(=O)O)CCC(=O)O	4OX	4-oxodecanedioic acid
c1ccc(cc1)C(=O)Nc2c(c(cs2)[C@H]3CCc4ccccc4C3)C(=O)O	4OY	2-benzamido-4-[(2~{s})-1,2,3,4-tetrahydronaphthalen-2-yl]thiophene-3-carboxylic acid
COC(=O)[C@H](COC=O)NC(=O)c1cccc(c1O)O	4OZ	methyl n-(2,3-dihydroxybenzoyl)-o-formyl-l-serinate
CC(=O)C1=CCC[C@@H]2CC[C@H]1N2	4P0	1-[(1r,6r)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone
CNC(=O)c1ccc(c(c1)c2ccc3c(c2)CCCN3C(=O)c4c(cccc4Cl)F)Cl	4P1	4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-1,2,3,4-tetrahydroquinolin-6-yl]-n-methylbenzamide
C=C[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]3C[C@@H]4CN3C(=O)[C@@H](NC(=O)O[C@@H]5CCC[C@H]5CCCCCc6c(cc7ccccc7n6)O4)C8CCCC8	4P2	(3ar,7s,10s,12r,24ar)-7-cyclopentyl-n-{(1r,2s)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-5,8-dioxo-1,2,3,3a,5,6,7,8,11,12,20,21,22,23,24,24a-hexadecahydro-10h-9,12-methanocyclopenta[18,19][1,10,3,6]dioxadiazacyclononadecino[12,11-b]quinoline-10-carboxamide
CN(c1ccc(cc1OCC(F)(F)F)c2cc(ccc2Cl)C(=O)N)C(=O)c3c(cccc3Cl)F	4P3	6-chloro-4'-[(2-chloro-6-fluorobenzoyl)(methyl)amino]-3'-(2,2,2-trifluoroethoxy)biphenyl-3-carboxamide
c1cc(cc(c1)F)c2ccc3c(cnc(c3n2)N)C(=O)NC4CN(C4)C(=O)C5CC5	4P4	8-amino-n-[1-(cyclopropylcarbonyl)azetidin-3-yl]-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxamide
c1coc2c1[nH]c(c2)C(=O)O	4P5	4h-furo[3,2-b]pyrrole-5-carboxylic acid
c1cc(cnc1)C\2=NCCC/C2=C\c3cccs3	4P6	(3e)-3-(thiophen-2-ylmethylidene)-3,4,5,6-tetrahydro-2,3'-bipyridine
c1cc(cnc1)C\2=NCCC/C2=C\c3cc[nH]c3	4P7	(3e)-3-(1h-pyrrol-3-ylmethylidene)-3,4,5,6-tetrahydro-2,3'-bipyridine
c1ccc(c(c1)Cc2cc(c(c(c2)[N+](=O)[O-])O)C=O)Cl	4P8	5-(2-chlorobenzyl)-2-hydroxy-3-nitrobenzaldehyde
c1cc(ccc1N/N=C/c2ccc(c(c2O)O)O)Cl	4P9	4-{(e)-[2-(4-chlorophenyl)hydrazinylidene]methyl}benzene-1,2,3-triol
CCCOC(=O)C	4PA	propyl acetate
C(CC(=O)NO)CP(=O)([O-])[O-]	4PB	n-hydroxy-4-phosphono-butanamide
CC1=CC2=CN(C(=O)N=C2N1)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	4PC	3-(2'-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-methyl-3,7-dihydro-2h-pyrrolo[2,3-d]pyrimidin-2-one
CC1=CC2=CN(C(=O)NC2=N1)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	4PD	3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-methyl-1,3-dihydro-2h-pyrrolo[2,3-d]pyrimidin-2-one
Cc1cc-2cn(c(nc2n1)O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	4PE	3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-methyl-3h-pyrrolo[2,3-d]pyrimidin-2-ol
C[C@H](COC[C@@H](C)OCCOC)N	4PF	(2r)-1-[(2r)-2-(2-methoxyethoxy)propoxy]propan-2-amine
[H]/N=C(/N)\Nc1ccc(cc1)CC(=O)c2ccccc2	4PG	1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine
Cc1ccc(cc1)C[C@@H](C(=O)O)N	4PH	4-methyl-l-phenylalanine
Cc1ccc(cc1)C(=O)N2CCC(CC2)Cc3ccccc3	4PI	n-(4-methylbenzoyl)-4-benzylpiperidine
CCCC[C@@H](CCCC[C@H](C)Cc1cc(cc(c1)O)O)c2c(cc(cc2O)C[C@@H](C)CCCC[C@@H](CCCC)F)O	4PJ	2-[(5s,10s)-11-[3,5-bis(oxidanyl)phenyl]-10-methyl-undecan-5-yl]-5-[(2s,7r)-7-fluoranyl-2-methyl-undecyl]benzene-1,3-diol
[H]/N=C(/N)\NOCC[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)NCCc1ccccc1)O)NC(=O)OCc2ccccc2	4PK	n-[(benzyloxy)carbonyl]-o-carbamimidamido-l-homoseryl-n-{(3s,4s)-3-hydroxy-6-methyl-1-oxo-1-[(2-phenylethyl)amino]heptan-4-yl}-l-valinamide
Cc1c(c2c(cn1)COC2=O)O	4PL	7-hydroxy-6-methylfuro[3,4-c]pyridin-1(3h)-one
C1CCN(CC1)C2CCNCC2	4PN	4-piperidino-piperidine
CC(C)(C)/[N+](=C/c1cc[n+](cc1)[O-])/[O-]	4PO	alpha-(4-pyridyl-1-oxide)-n-tert-butylnitrone
c1cc(cc(c1)[C@H](CCCNc2ccncc2)C(=O)O)c3cccc(c3)C(=N)N	4PP	(2s)-(3'-amidino-3-biphenyl)-5-(4-pyridylamino)pentanoic acid
c1cc2c(cc1O)c(c[nH]2)C[C@@H](C(=O)O)N	4PQ	5-hydroxy-l-tryptophan
CCCC[C@@H]([C@@H](C(=O)N[C@H](C)c1ccccc1)O)NC(=O)O[C@@H]2CN(CC2(C)C)C(=O)Nc3c(noc3C)C	4PR	(3s)-1-{[(3,5-dimethylisoxazol-4-yl)amino]carbonyl}-4,4-dimethylpyrrolidin-3-yl{(1s)-1-[1-hydroxy-2-oxo-2-{[(1r)-1-phenylethyl]amino}ethyl]pentyl}carbamate
CC(C)(CO[P@](=O)(O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O	4PS	4'-diphospho pantetheine
CCC[C@@H](O)O[C@H](COC(=O)CCC)CO[P@@](=O)(O)OC1[C@@H]([C@@H](C([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O	4PT	(2r)-3-{[(s)-{[(2s,3r,5s,6s)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}-2-(1-hydroxy butoxy)propyl butyrate
[Pu+4]	4PU	plutonium ion
CN1CCN(CC1)C2=Nc3cc(ccc3Nc4c2cc(cc4)F)F	4PV	2,8-difluoro-11-(4-methylpiperazin-1-yl)-5h-dibenzo[b,e][1,4]diazepine
C1[C@@H]2[C@H]([C@@H]([C@H]([C@H](O1)O2)O)O)O	4PW	levoglucosan
CC(C)(CO)N1C2=C(c3cccnc3N(C2=O)c4ccccc4)NC1=O	4PX	3-(1-hydroxy-2-methylpropan-2-yl)-5-phenyl-3,5-dihydro-1h-imidazo[4,5-c][1,8]naphthyridine-2,4-dione
c1c(cncc1OC[C@H](CC2=C3C=CCC=C3N=C2)N)C4=NCC5=NN=CC5=C4	4PY	(2s)-1-(6h-indol-3-yl)-3-{[5-(7h-pyrazolo[3,4-c]pyridin-5-yl)pyridin-3-yl]oxy}propan-2-amine
Cc1c[nH]nc1	4PZ	4-methyl-1h-pyrazole
CC(C)Oc1cccc2c1C(=O)N(C2=O)CCC3=Nc4ccccc4C(=O)N3c5ccc(cc5)OC	4Q0	2-{2-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}-4-(propan-2-yloxy)-1h-isoindole-1,3(2h)-dione
CC(=CCn1c2cc(ccc2c3c1[C@@H](N4C(=O)[C@@H]5CCCN5C(=O)[C@@]4([C@H]3O)O)C=C(C)C)OC)C	4Q1	fumitremorgen b
C[C@@H]1CCN([C@@H]1C(=O)N)C(=O)Nc2nc3c(s2)-c4c(cnc(n4)C(C)(C)C)CC3	4Q2	(2s,3r)-n~1~-(8-tert-butyl-4,5-dihydro[1,3]thiazolo[4,5-h]quinazolin-2-yl)-3-methylpyrrolidine-1,2-dicarboxamide
CC(C)n1c(cc(n1)NC(=O)C)c2ccc(c(c2)N3C[C@H]4C[C@H]4C3)N(C)C(=O)c5c(cccc5Cl)F	4Q3	n-{4-[3-(acetylamino)-1-(propan-2-yl)-1h-pyrazol-5-yl]-2-[(1r,5s)-3-azabicyclo[3.1.0]hex-3-yl]phenyl}-2-chloro-6-fluoro-n-methylbenzamide
Cc1c(nc(c(n1)N2CCC3(CC2)CO[C@H]([C@H]3N)C)CO)c4cccc(c4Cl)Cl	4Q4	{3-[(3s,4s)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl}methanol
CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@H](C)[C@H](c2ccccc2)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC	4Q5	n-methyl-l-valyl-n-[(3r,4s,5s)-1-{(2s)-2-[(1r,2r)-3-{[(1s,2r)-1-hydroxy-1-phenylpropan-2-yl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-n-methyl-l-valinamide
c1ccc(cc1)CN\2c3ccc(cc3S/C2=N\C(=O)c4cc(c([nH]4)Br)Br)C(=O)O	4Q6	(2z)-2-[[4,5-bis(bromanyl)-1h-pyrrol-2-yl]carbonylimino]-3-(phenylmethyl)-1,3-benzothiazole-6-carboxylic acid
COc1ccccc1OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O	4Q7	2-methoxyphenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
Cc1ccccc1OS(=O)(=O)[C@@H]2CC3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O	4Q9	2-methylphenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
CC(C)Oc1cccc(c1)CN2CCC3(CC2)C(=NC(=O)N3c4cccc(c4)F)NC5CCCCC5	4QA	4-(cyclohexylamino)-1-(3-fluorophenyl)-8-[3-(propan-2-yloxy)benzyl]-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CC[C@H](CCCCNC(=O)c1ccc(cc1)Nc2cnc3ccccc3n2)C(=O)N[C@@H](CC(=O)O)C=O	4QB	3-{2-ethyl-6-[4-(quinoxalin-2-ylamino)-benzoylamino]-hexanoylamino}-4-oxo-butyric acid
CN(C)Cc1ccccc1c2ccc(cc2)N3CCc4c(n(nc4C(F)(F)F)c5cccc(c5)C(=O)N)C3=O	4QC	3-[6-{2'-[(dimethylamino)methyl]biphenyl-4-yl}-7-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridin-1-yl]benzamide
C[C@@H](CN)Oc1cccc(c1)CN2CCC3(CC2)C(=NC(=O)N3c4cccc(c4)F)NC5CCCCC5	4QD	8-(3-{[(2s)-1-aminopropan-2-yl]oxy}benzyl)-4-(cyclohexylamino)-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
Cc1ccccc1c2[nH]c3c(n2)c(nc(n3)N)OCC4CCCCC4	4QE	6-(cyclohexylmethoxy)-8-(2-methylphenyl)-9h-purin-2-amine
C[C@H]1C[C@]2(CCN1Cc3ccccc3)C(=NC(=O)N2c4cccc(c4)F)NC5CCCCC5	4QF	(5r,7s)-8-benzyl-4-(cyclohexylamino)-1-(3-fluorophenyl)-7-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
c1cc(ccc1c2ncc(o2)c3ccc(cc3)Cl)C(=O)N	4QG	4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzamide
CN1c2cc(c(cc2N(C1=O)C)Oc3ccc(cc3)OC)NS(=O)(=O)c4ccc(c(c4)OC)OC	4QH	3,4-dimethoxy-n-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl]benzenesulfonamide
c1ccc2c(c1)nc(o2)NC3=N[C@H](C4=C(N3)CCCC4=O)c5c(cn[nH]5)Cl	4QI	(4r)-2-[(1,3-benzoxazol-2-yl)amino]-4-(4-chloro-1h-pyrazol-5-yl)-4,6,7,8-tetrahydroquinazolin-5(1h)-one
CN1C(=O)c2c(nn(c2Nc3ccccc3)Cc4ccc(cc4)c5cccc(n5)F)N6C1=N[C@H]7[C@@H]6CCC7	4QJ	(11r,15s)-4-{[4-(6-fluoropyridin-2-yl)phenyl]methyl}-8-methyl-5-(phenylamino)-1,3,4,8,10-pentaazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one
c1c(nnn1CCCC[C@@H](C(=O)O)N)CCN	4QK	6-[4-(2-aminoethyl)-1h-1,2,3-triazol-1-yl]-l-norleucine
CCCCCCCC(=O)Nc1c(c(c(c(c1I)C(=O)O)I)C(=O)O)I	4QL	2,4,6-tris(iodanyl)-5-(octanoylamino)benzene-1,3-dicarboxylic acid
CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C	4QM	(3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-10,13-dimethyl-17-[(2r)-pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,7,12-triol
CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)C(=O)N(C)C)Cl	4QO	2-chloro-n,n-dimethyl-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]benzamide
CC(C)C[C@@H](CP(=O)([C@H](c1ccccc1)N)O)C(=O)O	4QP	(2r)-2-{[(r)-[(r)-amino(phenyl)methyl](hydroxy)phosphoryl]methyl}-4-methylpentanoic acid
[H]/N=C(\c1ccc(cc1)C[C@@H](C(=O)N2CCCCC2)NS(=O)(=O)c3ccc(cc3)C)/N	4QQ	4-[(2s)-2-{[(4-methylphenyl)sulfonyl]amino}-3-oxo-3-(piperidin-1-yl)propyl]benzene-1-carboximidamide
Cc1c(c(c([nH]1)C(=O)Nc2nc3c(cc(cc3s2)C(=O)O)OCc4cccc(c4)C(=O)O)Cl)Cl	4QR	2-[[3,4-bis(chloranyl)-5-methyl-1h-pyrrol-2-yl]carbonylamino]-4-[(3-carboxyphenyl)methoxy]-1,3-benzothiazole-6-carboxylic acid
C[C@H]1C[C@@H]([C@@H]([C@@H](C=C([C@H]([C@H](/C=C/C=C(C(=O)NC2=C(C(=O)C(=C(C1)C2=O)OC)C)C)OC)OC(=O)N)C)C)O)OC	4QS	[(3r,5s,6r,7r,10r,11s,12e)-5,11,21-trimethoxy-3,7,9,15,19-pentamethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate
c1(c(c(c(c(c1Br)OO)Br)OO)Br)N	4QT	5-amino-2,4,6-tribromobenzene-1,3-diyl dihydroperoxide
CC1=CC=CN2C1=Nc3c(cc4c(n3)N=CN(C4=O)Cc5cccnc5)C2=O	4QU	11-methyl-3-(pyridin-3-ylmethyl)-4h-pyrimido[5'',4'':5',6']pyrido[2',3':4,5]pyrimido[1,2-b]pyridine-4,6(3h)-dione
c1ccc2c(c1)[nH]c(n2)N3c4ccc(cc4NC3=O)O	4QV	5-hydroxy-1'h-1,2'-bibenzimidazol-2(3h)-one
Cn1cncc1/C=C/2\CCN=C2c3cccnc3	4QW	3-{(4e)-4-[(1-methyl-1h-imidazol-5-yl)methylidene]-3,4-dihydro-2h-pyrrol-5-yl}pyridine
CC(C)NC(=O)n1c(nc(n1)N)Nc2ccc(cc2)Cl	4QX	3-amino-5-[(4-chlorophenyl)amino]-n-(propan-2-yl)-1h-1,2,4-triazole-1-carboxamide
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)COP(=O)(O)O)O)O	4QY	2-acetamido-2-deoxy-6-o-phosphono-beta-d-glucopyranose
C[C@@H](c1ccccc1)NC(=O)n2c(nc(n2)N)Nc3ccc(cc3)Cl	4QZ	3-amino-5-[(4-chlorophenyl)amino]-n-[(1s)-1-phenylethyl]-1h-1,2,4-triazole-1-carboxamide
Cc1cc(ccc1Cl)Nc2nc(nn2C(=O)NC(C)C)N	4R0	3-amino-5-[(4-chloro-3-methylphenyl)amino]-n-(propan-2-yl)-1h-1,2,4-triazole-1-carboxamide
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)OP(=O)(O)O	4R1	2-amino-2-deoxy-6-o-phosphono-beta-d-glucopyranose
[H]/N=C(/N)\NC/C=C/C(=O)N1c2cc(c(cc2N(C3=C1C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)C)C	4R2	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{s})-5-[5-[(~{e})-4-carbamimidamidobut-2-enoyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-1~{h}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate
Cc1c(c(c([nH]1)C(=O)Nc2nc3cc(c(cc3s2)C(=O)O)O)Cl)Cl	4R3	2-[[3,4-bis(chloranyl)-5-methyl-1h-pyrrol-2-yl]carbonylamino]-5-oxidanyl-1,3-benzothiazole-6-carboxylic acid
COc1cccc(c1)c2cc(c(c(c2)F)NC(=O)Nc3cncs3)F	4R5	1-(3,5-difluoro-3'-methoxybiphenyl-4-yl)-3-(1,3-thiazol-5-yl)urea
Cc1c(c(on1)C)COc2ccccc2C(=O)Nc3cccc(c3)Cl	4R6	~{n}-(3-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
[H]/N=C(\NCCCCNC(=O)Nc1ccc2cc(cc(c2c1)O)C(=O)OC)/NCC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	4R7	methyl 6-[4-[[n-[2-[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate
CC\C=C/C\C=C/C\C=C/C\C=C/CC\C=C\CC(=O)CCC(=O)O	4R8	(6e,10z,13z,16z,19z)-4-oxodocosa-6,10,13,16,19-pentaenoic acid
c1ccc(cc1)CCCC(=O)NO	4R9	n-oxidanyl-4-phenyl-butanamide
Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)NC(=O)C)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)C)O	4RA	[(2r,3r,4r,5s,6r)-3-acetamido-6-methyl-5-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-4-oxidanyl-oxan-2-yl] [[(2r,3s,4r,5r)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate
CC[C@H](CO)Nc1ccc2ncc(n2n1)c3ccc(cc3)C(=O)O	4RB	4-(6-{[(1r)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-b]pyridazin-3-yl)benzoic acid
c1cc(nc2c1nc([nH]2)NCCCN[C@@H]3CCNc4c3cc(cc4Cl)Cl)F	4RC	n-[(4r)-6,8-dichloro-1,2,3,4-tetrahydroquinolin-4-yl]-n'-(5-fluoro-3h-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine
c1cc(nc2c1[nH]c(n2)NCCCN[C@@H]3CCOc4c3cc(cc4Cl)Cl)F	4RD	n-[(4r)-6,8-dichloro-3,4-dihydro-2h-chromen-4-yl]-n'-(5-fluoro-1h-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine
CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	4RF	tripalmitoylglycerol
c1ccc(cc1)OCc2cccc(c2)C(=O)O	4RG	3-(phenoxymethyl)benzoic acid
C[C@H](COCCOC)N	4RH	(2~{r})-1-(2-methoxyethoxy)propan-2-amine
CCCCCCc1c(c(nc(n1)N)N)c2ccccc2	4RI	6-hexyl-5-phenyl-pyrimidine-2,4-diamine
CCc1ccc(cc1)/N=C\2/N(C(=O)/C(=C/c3ccnc(c3)Nc4ccc(cn4)C(=O)O)/S2)C	4RJ	6-({4-[(z)-{(2z)-2-[(4-ethylphenyl)imino]-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene}methyl]pyridin-2-yl}amino)pyridine-3-carboxylic acid
CCc1ccc(cc1)/N=C\2/N(C(=O)/C(=C/c3ccnc(c3)Nc4ccc(cc4)c5[nH]nnn5)/S2)C	4RK	(2z,5z)-2-[(4-ethylphenyl)imino]-3-methyl-5-[(2-{[4-(1h-tetrazol-5-yl)phenyl]amino}pyridin-4-yl)methylidene]-1,3-thiazolidin-4-one
CC[C@H](C)[C@@H](C(=O)NC(C)(C)C)NC(=O)C[C@H]1C(=O)N([C@H](C(=O)N1)CNC(=O)[C@H](CC(=O)O)N)Cc2ccccc2	4RL	n-{[(2s,5s)-1-benzyl-5-(2-{[(2s,3s)-1-(tert-butylamino)-3-methyl-1-oxopentan-2-yl]amino}-2-oxoethyl)-3,6-dioxopiperazin-2-yl]methyl}-l-alpha-asparagine
CCc1ccc(cc1)/N=C\2/N(C(=O)/C(=C/c3ccncc3)/S2)CCOC	4RM	(2z,5z)-2-[(4-ethylphenyl)imino]-3-(2-methoxyethyl)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
C[C@@H](CNCc1cc(cc(c1)Cl)Cl)CNc2[nH]c3cccnc3n2	4RN	(2s)-n-(3,5-dichlorobenzyl)-n'-(1h-imidazo[4,5-b]pyridin-2-yl)-2-methylpropane-1,3-diamine
c1cc2c(nc1)nc([nH]2)NCC(CNCc3cc(cc(c3)Cl)Cl)(F)F	4RO	n-(3,5-dichlorobenzyl)-2,2-difluoro-n'-(1h-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine
c1cc2c(nc1)nc([nH]2)NCCCNCc3cc(cc(c3)Cl)Cl	4RP	n-(3,5-dichlorobenzyl)-n'-(1h-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine
c1cc(nc2c1[nH]c(n2)NCCCNCc3cc(cc(c3)Cl)Cl)F	4RQ	n-(3,5-dichlorobenzyl)-n'-(5-fluoro-1h-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine
COc1ccc(cc1OC2CCCC2)[C@H]3CC(=O)NC3	4RR	(4r)-4-[3-(cyclopentyloxy)-4-methoxyphenyl]pyrrolidin-2-one
CCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O	4RS	trehalose mono-butyrate
CN1C(=O)C2=C3CCN(C(=O)C3=C(C(=O)N2[C@]14CC[C@H]5[C@@]4(C5)CO)O)Cc6ccc(c(c6)Cl)F	4RT	(1r,2s,5r)-8'-(3-chloro-4-fluorobenzyl)-6'-hydroxy-1-(hydroxymethyl)-2'-methyl-9',10'-dihydro-2'h-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'h)-trione
c1ccc2c(c1)c(c(nn2)C(=O)N)N	4RU	4-aminocinnoline-3-carboxamide
Cc1ccncc1c2cccc3c2nnc(c3N)C(=O)N	4RV	4-amino-8-(4-methylpyridin-3-yl)cinnoline-3-carboxamide
C1CC[C@@H]2[C@H](C1)CSC(=N2)N	4RW	(4as,8ar)-4a,5,6,7,8,8a-hexahydro-4h-3,1-benzothiazin-2-amine
c1cc(cc(c1)Cl)C(=O)N[C@H]2CC[C@]34COC[C@H]([C@H]3C2)SC(=N4)N	4RX	n-[(4s,4as,6s,8ar)-10-aminohexahydro-3h-4,8a-(epithiomethenoazeno)isochromen-6(1h)-yl]-3-chlorobenzamide
c1cc(cc(c1)Cl)C(=O)N[C@H]2CC[C@]34COC[C@@]3(C2)CSC(=N4)N	4RY	n-[(4as,6s,8ar)-2-amino-5,6,7,8-tetrahydro-4a,8a-(methanooxymethano)-3,1-benzothiazin-6(4h)-yl]-3-chlorobenzamide
c1cc(cc(c1)Cl)C(=O)N[C@H]2CC[C@@H]3[C@H](C2)CSC(=N3)N	4RZ	n-[(4as,6s,8ar)-2-amino-4a,5,6,7,8,8a-hexahydro-4h-3,1-benzothiazin-6-yl]-3-chlorobenzamide
c1c(nnn1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)COCC(COCc4cn(nn4)[C@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)O)(COCc7cn(nn7)[C@@H]8[C@@H]([C@@H]([C@H]([C@H](O8)CO)O[C@H]9[C@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)O)O)N	4S0	dendron d2-1
CCCNc1ncc(c(n1)N[C@@H]2C[C@@H]([C@H]([C@H]2O)O)CO)c3nc4ccccc4s3	4S1	(1r,2s,3r,5r)-3-{[5-(1,3-benzothiazol-2-yl)-2-(propylamino)pyrimidin-4-yl]amino}-5-(hydroxymethyl)cyclopentane-1,2-diol
c1ccc2c(c1)nc(s2)C3=C(N=C(NC3=O)NC4CC4)N[C@@H]5C[C@@H]([C@H]([C@H]5O)O)CO	4S2	5-(1,3-benzothiazol-2-yl)-2-(cyclopropylamino)-6-{[(1r,2s,3r,4r)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino}pyrimidin-4(3h)-one
c1ccc2c(c1)nc(s2)C3=C(N=C(NC3=O)N4CCOCC4)N[C@@H]5CCCNC5	4S3	5-(1,3-benzothiazol-2-yl)-2-(morpholin-4-yl)-6-[(3r)-piperidin-3-ylamino]pyrimidin-4(3h)-one
c1cc(ccc1C(=O)NCC(=O)O)NC(=O)c2cc(c([nH]2)Br)Br	4S4	n-(4-{[(4,5-dibromo-1h-pyrrol-2-yl)carbonyl]amino}benzoyl)glycine
CCCCCCCCCCCCCCCCCCOP(=O)(CCCN=[N+]=N)O	4S7	1-{3-[(r)-hydroxy(octadecyloxy)phosphoryl]propyl}triaza-1,2-dien-2-ium
CC(C)(COP(O)O)[C@H](C(=O)NCCC(=O)NCCS)O	4S8	n~3~-{(2r)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-n-(2-sulfanylethyl)-beta-alaninamide
CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)Br)C(=O)NO	4S9	tert-butyl [(1s)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]carbamate
CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)c2ccccc2)C(=O)NO	4SA	tert-butyl [(1s)-1-(biphenyl-4-yl)-2-(hydroxyamino)-2-oxoethyl]carbamate
c1ccc(cc1)[C@@H](CCN)C(=O)N/N=C/c2ccc(c(c2)Br)O	4SB	(2r)-4-amino-n'-[(1e)-(3-bromo-4-hydroxyphenyl)methylidene]-2-phenylbutanehydrazide
CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](S2)COP(=O)(O)O)O	4SC	2'-deoxy-5-methyl-4'-thiocytidine 5'-(dihydrogen phosphate)
C(C#N)C(CC#N)O	4SD	3-hydroxypentanedinitrile
CC(C)[C@@H](/C=C(/C)\C(=O)O)NC	4SF	(2z,4s)-2,5-dimethyl-4-(methylamino)hex-2-enoic acid
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)S)O	4SG	4-thio-alpha-d-glucopyranose
c1ccc(cc1)CNC(=O)c2c3c(sc2NC(=O)CN4CCOCC4)CCCC3	4SH	n-benzyl-2-[(morpholin-4-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CCc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(ccc2Cl)c3ccc(cc3)C(=O)N	4SI	4'-chloro-3'-[(2s)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl][1,1'-biphenyl]-4-carboxamide
CC(C)(c1ccccc1)[C@@H](C(=O)O)NC	4SJ	n,beta,beta-trimethyl-l-phenylalanine
CC(C)[C@@H](/C=C(/C)\C(=O)O)N(C)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C(C)(C)c1ccccc1)NC	4SL	n,beta,beta-trimethyl-l-phenylalanyl-n-[(3s,4z)-5-carboxy-2-methylhex-4-en-3-yl]-n,3-dimethyl-l-valinamide
[S-][Mo](=S)(=S)[S-]	4SM	tetrathiomolybdate
CC(=O)OC[C@H]1[C@H](C([C@H]([C@@H](O1)S(=O)(=O)NCCCCCOS(=O)(=O)N)OC(=O)C)OC(=O)C)OC(=O)C	4SN	(6s)-1,3,4,5-tetra-o-acetyl-2,6-anhydro-6-{[5-(sulfamoyloxy)pentyl]sulfamoyl}-l-altritol
c1cc(ccc1C(=O)O)S(=O)(=O)N	4SO	4-sulfamoylbenzoic acid
c1cc(ccc1Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)S(=O)(=O)N	4SP	o6-cyclohexylmethoxy-2-(4'-sulphamoylanilino) purine
C(CP(=O)(CNC(=O)CN)O)C(=O)NCC(=O)O	4SQ	tetraglycine phosphinate
COc1ccc(cc1OC2CCCC2)[C@H]3CC(=O)NC3	4SR	(4s)-4-[3-(cyclopentyloxy)-4-methoxyphenyl]pyrrolidin-2-one
CCOc1cc2c(cc1OCC)[C@@H](N(C(=O)C2)c3ccc(cc3OCc4[nH]nnn4)C)c5ccc(cc5)Cl	4SS	(s)-2-(2-((2h-tetrazol-5-yl)methoxy)-4-methylphenyl)-1-(4-chlorophenyl)-6,7-diethoxy-1,2-dihydroisoquinolin-3(4h)-one
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4c(c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)CCCC4)NC)OC	4ST	1,2,3,4-tetrahydrogen-staurosporine
C1=CN(C(=O)NC1=S)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	4SU	4-thiouridine-5'-monophosphate
c1cncc(c1C(=O)O)N	4SV	3-aminopyridine-4-carboxylic acid
C[C@@H](CO[C@H](C)COCCOC)N	4SW	(2~{s})-1-[(2~{r})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine
c1cc(c(cc1S(=O)(=O)O)O)O	4SX	3,4-dihydroxybenzenesulfonic acid
CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)c2cnn(c2)C)C(=O)NO	4SY	tert-butyl {(1s)-2-(hydroxyamino)-1-[4-(1-methyl-1h-pyrazol-4-yl)phenyl]-2-oxoethyl}carbamate
CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO	4SZ	tert-butyl [(1s)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]carbamate
CC(C)S(=O)(=O)c1ccc(cc1[C@H]2CCCN2C(=O)[C@@H](c3ccccc3)Nc4ccc5c(c4)ccnc5N)NC(=O)C	4T0	n-{3-[(2r)-1-{(2r)-2-[(1-aminoisoquinolin-6-yl)amino]-2-phenylacetyl}pyrrolidin-2-yl]-4-(propan-2-ylsulfonyl)phenyl}acetamide
c1cc2cc(c1)NC(=O)CCCc3ccc(cc3)[C@H](C(=O)NC2)Nc4ccc5c(c4)ccnc5N	4T1	(2r)-2-[(1-aminoisoquinolin-6-yl)amino]-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione
CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)c2cccc(c2)/C(=N/O)/N)C(=O)NO	4T2	tert-butyl {(1s)-2-(hydroxyamino)-1-[3'-(n'-hydroxycarbamimidoyl)biphenyl-4-yl]-2-oxoethyl}carbamate
c1csc2c1nc(nc2Nc3cc([nH]n3)C4CC4)N5CCC(CC5)N	4T3	2-(4-aminopiperidin-1-yl)-n-(5-cyclopropyl-1h-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
CC(C)Oc1cc2c(cc1OC)CC(=O)N([C@H]2c3ccc(cc3)Cl)c4ccc(cc4)N(C)CC5CCC(CC5)N6CCN(C(=O)C6)C	4T4	(s)-1-(4-chlorophenyl)-7-isopropoxy-6-methoxy-2-(4-(methyl(((1r,4s)-4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl)methyl)amino)phenyl)-1,2-dihydroisoquinolin-3(4h)-one
c1cnc(nc1Nc2cc(n[nH]2)C3CC3)NCC4CCC(CC4)N	4T5	n~2~-[(trans-4-aminocyclohexyl)methyl]-n~4~-(3-cyclopropyl-1h-pyrazol-5-yl)pyrimidine-2,4-diamine
c1cc2c(c(c1CNc3nccc(n3)Nc4cc([nH]n4)C5CC5)Cl)[nH]cn2	4T6	n~2~-[(7-chloro-1h-benzimidazol-6-yl)methyl]-n~4~-(5-cyclopropyl-1h-pyrazol-3-yl)pyrimidine-2,4-diamine
c1ccc2cc(ccc2c1)[C@H](CO)O	4T7	(1r)-1-(naphthalen-2-yl)ethane-1,2-diol
CC(C)(COP(O)O)[C@H](C(=O)NCCC(=O)NCCS[C@@H](CS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)[C@@H](CO)N)O	4T8	5'-({[(2r,3r)-3-amino-2-({2-[(n-{(2r)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-4-hydroxybutyl]sulfonyl}amino)-5'-deoxyadenosine
COc1ccc(cc1OC)Nc2cc3c(cc([nH]3)c4c[nH]nc4)cn2	4T9	n-(3,4-dimethoxyphenyl)-2-(1h-pyrazol-4-yl)-1h-pyrrolo[3,2-c]pyridin-6-amine
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O	4TA	p1-(5'-adenosyl)p4-(5'-(2'-deoxy-thymidyl))tetraphosphate
c1cc(sc1)CCCC(=O)O	4TB	4-(2-thienyl)butyric acid
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(C[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=O)NC5=O)O)O)O)O)O)N	4TC	p1-(5'-adenosine)p4-(5'-uridine)-beta,gamma-methylene tetraphosphate
C[C@H](COCC(COC[C@H](C)O)(COC[C@H](C)O)COC[C@H](C)O)O	4TD	(2s)-1-[3-[(2s)-2-oxidanylpropoxy]-2-[[(2s)-2-oxidanylpropoxy]methyl]-2-[[(2r)-2-oxidanylpropoxy]methyl]propoxy]propan-2-ol
C[C@H]1C[C@H]2[C@@H]([C@@H]([C@@H]1O2)C(=O)O)C(=O)O	4TE	(1s,2r,3s,4r,5s)-5-methyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CCCOC[C@@H]1C[C@@H]2[C@H]([C@H]([C@H]1O2)C(=O)O)C(=O)O	4TF	(1r,2s,3r,4s,5s)-5-(propoxymethyl)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)NC=O	4TG	dtdp-4,6-dideoxy-4-formamido-glucose
CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N([C@H]2c3ccc(cc3)Cl)c4ccc(cc4)N(C)Cc5ccncc5	4TH	(s)-7-((r)-sec-butoxy)-1-(4-chlorophenyl)-6-methoxy-2-(4-(methyl(pyridin-4-ylmethyl)amino)phenyl)-1,2-dihydroisoquinolin-3(4h)-one
[Ti+4]	4TI	titanium ion
CC[N+]1=C(C(c2c1ccc(c2)S(=O)(=O)[O-])(C)C)C=CC=CC=C3C(c4ccc(cc4N3CCCCCC(=O)NCCOCCOCCNC(=O)CCCc5[nH]c6c(n5)N(C(=O)N(C6=O)C)C)S(=O)(=O)O)(C)C	4TJ	2-(5-{1-[1-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)-4,15-dioxo-8,11-dioxa-5,14-diazaicosan-20-yl]-3,3-dimethyl-6-sulfo-1,3-dihydro-2h-indol-2-ylidene}penta-1,3-dien-1-yl)-1-ethyl-3,3-dimethyl-3h-indolium-5-sulfonate
CC(C)(C)C(=O)N[C@H](c1ccc(cc1)Br)C(=O)NO	4TK	n-[(1r)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide
CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO	4TL	n-[(1r)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]-2,2-dimethylpropanamide
CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2ccsc2)C(=O)NO	4TM	n-{(1r)-2-(hydroxyamino)-2-oxo-1-[4-(thiophen-3-yl)phenyl]ethyl}-2,2-dimethylpropanamide
CCOc1cc2c(cc1c3cc(ccc3O)\C=C\C(=O)O)C(CCC2(C)C)(C)C	4TN	(2e)-3-[3-(3-ethoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-4-hydroxyphenyl]acrylic acid
c1cc(cc(c1)C(F)(F)F)c2ccc3c(n2)N([C@H]4CC[N@@]3C4)C(=O)Nc5cccc(c5)c6cnco6	4TO	(4s)-n-[3-(1,3-oxazol-5-yl)phenyl]-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1,4-methanopyrido[2,3-b][1,4]diazepine-5(2h)-carboxamide
C([C@H]([C@@H](C(=O)O)N)O)OP(=O)(O)O	4TP	4-hydroxy-l-threonine-5-monophosphate
C[C@H]1CN(c2ccc(nc2N1C(=O)Nc3cccc(c3)c4cnco4)c5cccc(c5)C(F)(F)F)C	4TQ	(3s)-1,3-dimethyl-n-[3-(1,3-oxazol-5-yl)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4(1h)-carboxamide
c1cc(ccc1C#N)N(Cc2ccc(c(c2)Br)OS(=O)(=O)N)n3cnnc3	4TR	2-bromo-4-{[(4-cyanophenyl)(4h-1,2,4-triazol-4-yl)amino]methyl}phenyl sulfamate
c1ccc(cc1)OCCCOCCc2c(c(nc(n2)N)N)c3cccc(c3)Cl	4TS	5-(3-chlorophenyl)-6-[2-(3-phenoxypropoxy)ethyl]pyrimidine-2,4-diamine
c1ccc2c(c1)c3c([nH]2)-c4c(cn[nH]4)CCC3	4TT	4,5,6,11-tetrahydro-1h-pyrazolo[4',3':6,7]cyclohepta[1,2-b]indole
c1cc2c(cc1Cl)CCN2C(=O)N	4TU	5-chloranyl-2,3-dihydroindole-1-carboxamide
Cn1cc(cn1)c2ccc(cc2)c3cncc(c3N4CCC5(CCNC5=O)CC4)Cl	4TV	8-{3-chloro-5-[4-(1-methyl-1h-pyrazol-4-yl)phenyl]pyridin-4-yl}-2,8-diazaspiro[4.5]decan-1-one
CS(=O)(=O)Nc1cccc(c1)CC(=O)Nc2cc(cs2)c3ccnc(c3)F	4TW	n-[4-(2-fluoropyridin-4-yl)thiophen-2-yl]-2-{3-[(methylsulfonyl)amino]phenyl}acetamide
Cc1ccc(c(c1)OCCCC(C)(C)C(=O)O)C	4TX	5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid
CC(C)(C)OC(=O)N[C@H](c1ccc(cc1)Br)C(=O)NO	4TY	tert-butyl [(1r)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]carbamate
c1cc(ccc1CN(c2ccc(cc2)C#N)n3cnnc3)OS(=O)(=O)N	4TZ	4-{[(4-cyanophenyl)(4h-1,2,4-triazol-4-yl)amino]methyl}phenyl sulfamate
CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)O)O)O)O	4U0	(6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranonosyl-(2->6)-beta-d-gal  actopyranosyl-(1->4)-beta-d-glucopyranose
CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O)CO)O)O)O)O	4U1	(6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranonosyl-(2->6)-beta-d-gal  actopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-d-glucopyranose
CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O)CO)CO)O)O	4U2	(6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranonosyl-(2->3)-beta-d-gal  actopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-d-glucopyranose
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)Cl)COP(=O)(O)O)O	4U3	5-chloro-2'-deoxycytidine 5'-(dihydrogen phosphate)
CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cnn(c2)C)C(=O)NO	4U5	n-{(1r)-2-(hydroxyamino)-1-[4-(1-methyl-1h-pyrazol-4-yl)phenyl]-2-oxoethyl}-2,2-dimethylpropanamide
CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cccc(c2)/C(=N/O)/N)C(=O)NO	4U6	n-{(1r)-2-(hydroxyamino)-1-[3'-(n'-hydroxycarbamimidoyl)biphenyl-4-yl]-2-oxoethyl}-2,2-dimethylpropanamide
[B-](CCCC[C@@](C(F)F)(C(=O)O)N)(O)(O)O	4U7	[(5s)-5-amino-5-carboxy-6,6-difluorohexyl](trihydroxy)borate(1-)
CC(C)Oc1ccc(cc1)n2c3ccc(cc3cc2C(=O)O)c4ccc(cc4)C(C)(C)C	4U8	5-(4-tert-butylphenyl)-1-[4-(propan-2-yloxy)phenyl]-1h-indole-2-carboxylic acid
c1cc(c(c(c1)Cl)c2[nH]c(c(n2)Br)c3ccc(nc3)C#Cc4ccc(cc4)C(F)(F)F)F	4U9	5-[4-bromo-2-(2-chloro-6-fluorophenyl)-1h-imidazol-5-yl]-2-{[4-(trifluoromethyl)phenyl]ethynyl}pyridine
Cc1ccc(cc1)CNC(=O)N2CCC(CC2)(CNS(=O)(=O)c3cc(ccc3OC)C)c4ccccc4	4UA	4-[[(2-methoxy-5-methyl-phenyl)sulfonylamino]methyl]-4-phenyl-n-(p-tolylmethyl)piperidine-1-carboxamide
c1ccc(cc1)c2cnc3n2cc(nc3)c4c[nH]nc4	4UB	3-phenyl-6-(1h-pyrazol-4-yl)imidazo[1,2-a]pyrazine
CCOc1ccc(cc1)c2cc(c3ccccc3n2)C(=O)Nc4ccc(cc4)S(=O)(=O)NC(=O)C	4UC	n-[4-(acetylsulfamoyl)phenyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide
C1C=NO[C@@H]1[C@@H](C(=O)O)N	4UD	(2s)-amino[(5s)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid
CCOC(=O)c1cc2cc(ccc2[nH]1)c3cncn3C	4UE	ethyl 5-(1-methyl-1h-imidazol-5-yl)-1h-indole-2-carboxylate
CCOC(=O)c1cc2cc(ccc2[nH]1)c3cc(nn3C)C(=O)NCc4ccc(cc4)C(=O)O	4UF	4-{[({5-[2-(ethoxycarbonyl)-1h-indol-5-yl]-1-methyl-1h-pyrazol-3-yl}carbonyl)amino]methyl}benzoic acid
C1C[C@H](C(=O)NC1)C[C@@H]([C@H](C#N)O)N	4UG	(2~{r},3~{s})-3-azanyl-2-oxidanyl-4-[(3~{s})-2-oxidanylidenepiperidin-3-yl]butanenitrile
C[C@H]1/C=C/C/C=C/CCCCCCCCC[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O	4UH	(1r,3s,5r,6r,9r,11r,15s,16r,17r,18s,19e,22e,33s,35s,36r,37s)-33-[(3-amino-3,6-dideoxy-beta-d-mannopyranosyl)oxy]-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,22-diene-36-carboxylic acid
c1ccc(cc1)[C@H]2Cc3c(c4cc(ccc4n3Cc5ccc(s5)C(=O)NO)F)S2	4UI	5-[[(2r)-7-fluoranyl-2-phenyl-2,3-dihydrothieno[3,2-b]indol-4-yl]methyl]-n-oxidanyl-thiophene-2-carboxamide
c1ccc(cc1)c2csc(n2)NC(=O)c3ccccc3Cl	4UJ	2-chloro-n-(4-phenyl-1,3-thiazol-2-yl)benzamide
CC(C)C(=O)NCc1ccc(c(c1)C(=O)Nc2[nH]cc(n2)c3ccc(cc3)Cl)C(F)F	4UK	n-[4-(4-chlorophenyl)-1h-imidazol-2-yl]-2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}benzamide
Cc1c(nc([nH]1)NC(=O)c2cc(cnc2C(F)F)CNC(=O)C(C)C)c3ccc(cc3)C(F)(F)F	4UL	2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}-n-{5-methyl-4-[4-(trifluoromethyl)phenyl]-1h-imidazol-2-yl}pyridine-3-carboxamide
CCOC(=O)c1cc2cc(ccc2[nH]1)C(=O)N	4UM	ethyl 5-carbamoyl-1h-indole-2-carboxylate
Cc1nc(no1)C(Cc2ccccc2)(Cc3ccc(cc3)NS(=O)(=O)O)c4nc(on4)C	4UN	{4-[2,2-bis(5-methyl-1,2,4-oxadiazol-3-yl)-3-phenylpropyl]phenyl}sulfamic acid
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)NC2=O	4UO	2,3-dihydroxanthosine
[H]/N=C(/c1ccc2cc(ccc2c1)[C@H]3[C@@H](O3)c4ccccc4)\N	4UP	6-[(2s,3s)-3-phenyloxiran-2-yl]naphthalene-2-carboximidamide
CC(C)(C)c1ccc(cc1)C(=O)N[C@@H]2CCCN(C2)c3ccc(c(n3)Nc4ccc(cc4)C(=O)N5CCOCC5)C(=O)N	4UQ	6-{(3r)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl}-2-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}pyridine-3-carboxamide
c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N	4UR	3'2'-cgamp
CN1CCN(CC1)C(=O)c2ccc3c(c2)[nH]c4c3c(ccc4C(=O)N)c5ccccc5Cl	4US	4-(2-chlorophenyl)-7-[(4-methylpiperazin-1-yl)carbonyl]-9h-carbazole-1-carboxamide
CCN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4ccc(cc4n[nH]3)c5cccc(c5)OC	4UT	4-(4-ethylpiperazin-1-yl)-n-[6-(3-methoxyphenyl)-2h-indazol-3-yl]benzamide
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)/C=C/C4=CCC(=O)C=C4)O)O)N	4UU	5'-o-[(r)-hydroxy{[(2e)-3-(4-oxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}phosphoryl]adenosine
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)/C=C/C4=CC(=O)C(=O)C=C4)O)O)N	4UV	5'-o-[(r)-{[(2e)-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}(hydroxy)phosphoryl]adenosine
COC1=CC(=CCC1=O)/C=C/C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	4UW	5'-o-[(r)-hydroxy{[(2e)-3-(5-methoxy-4-oxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}phosphoryl]adenosine
CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)NC)O)S(=O)(=O)c4ccc(cc4)N	4UX	(3r,3as,4r,6ar)-4-(methylamino)hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)NC)O)S(=O)(=O)c4ccc(cc4)OC	4UY	(3r,3as,4r,6ar)-4-(methylamino)hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
c1ccc(cc1)COC(=O)N[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O)CO)O)O	4UZ	2-{[(benzyloxy)carbonyl]amino}-2-deoxy-beta-d-glucopyranose
C1C=C(C=CN=C1)C[C@@H](C(=O)O)N	4V0	3-(3h-azepin-5-yl)-l-alanine
Cc1cc(cc(c1O)C)C2=Nc3c(c4c(s3)CN(CC4)C)C(=O)N2	4V1	2-(4-hydroxy-3,5-dimethylphenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3h)-one
c1cc(cc(c1)O)c2nnc(o2)S	4V2	3-(5-mercapto-1,3,4-oxadiazol-2-yl)-phenol
c1ccc2c(c1)C=C(S2(=O)=O)COC(=O)N[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3O)CO)O)O	4V3	2-deoxy-2-({[(1,1-dioxido-1-benzothiophen-2-yl)methoxy]carbonyl}amino)-beta-d-glucopyranose
Cc1cc(nc(c1)N)CCc2cccc(c2)N(C)CCNC	4V4	n1-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)phenyl)-n1,n2-dimethylethane-1,2-diamine
c1cc(ccc1CCC(=O)N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O)CO)O)O)O	4V5	2-deoxy-2-{[3-(4-hydroxyphenyl)propanoyl]amino}-alpha-d-glucopyranose
C[C@@H]1N(c2ccc(cc2S(=O)(=O)N1C)Cl)C	4V6	(3r)-7-chloro-2,3,4-trimethyl-3,4-dihydro-2h-1,2,4-benzothiadiazine 1,1-dioxide
c1c(cnc2c1c(c([nH]2)CO)c3ncc(c(n3)N[C@H]4CCC[C@H](C4)NC(=O)N5CCCC5)F)F	4V7	n-[(1r,3s)-3-({5-fluoro-2-[5-fluoro-2-(hydroxymethyl)-1h-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl}amino)cyclohexyl]pyrrolidine-1-carboxamide
c1ccc(cc1)CN2C=CC(=CC2=O)N3CCc4c(c([nH]n4)c5ccncc5)C3	4V8	1-benzyl-4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1h)-one
c1ccnc(c1)N2CCc3c(c([nH]n3)c4ccc(cc4)F)C2	4V9	3-(4-fluorophenyl)-5-(pyridin-2-yl)-4,5,6,7-tetrahydro-2h-pyrazolo[4,3-c]pyridine
CC[C@H](c1ccc(c(c1F)Oc2ccccc2)Cl)[NH2+][C@@H](C)CC(=O)N	4VA	(2s)-4-amino-n-[(1r)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propyl]-4-oxobutan-2-aminium
c1cnccc1c2c3c(n[nH]2)CCN(C3)C4=CC(=O)NC=C4	4VB	4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1h)-one
c1ccc(c(c1)NC(=O)NCc2cccnc2)Cl	4VC	1-(2-chlorophenyl)-3-(pyridin-3-ylmethyl)urea
Cc1ccc(cc1NC(=O)c2cnc3n2cccc3)CNC(=O)Nc4cccc(c4)F	4VD	n-[5-({[(3-fluorophenyl)carbamoyl]amino}methyl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
Cc1ccc(cc1NC(=O)c2cnc3n2cccc3)[C@H](C)Nc4nc5cc(ccc5o4)F	4VE	n-(5-{(1s)-1-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl}-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
c1cc(cc(c1)Cl)[C@@H](CO)N2CCn3cc(cc3C2=O)c4ccnc(n4)NC5CCOCC5	4VF	2-[(1s)-1-(3-chlorophenyl)-2-hydroxyethyl]-7-[2-(tetrahydro-2h-pyran-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1(2h)-one
c1cc(cc(c1)Cl)[C@@H](CO)N2CCCn3cc(cc3C2=O)c4ccnc(n4)NC5CCOCC5	4VG	2-[(1s)-1-(3-chlorophenyl)-2-hydroxyethyl]-8-[2-(tetrahydro-2h-pyran-4-ylamino)pyrimidin-4-yl]-2,3,4,5-tetrahydro-1h-pyrrolo[1,2-a][1,4]diazepin-1-one
c1ccc(cc1)OCC(=O)N[C@@H](Cc2cn(nn2)CCNC(=O)c3ccc(cc3)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)C(=O)NCCO	4VH	n-[2-[4-[(2s)-3-(2-hydroxyethylamino)-3-oxidanylidene-2-(2-phenoxyethanoylamino)propyl]-1,2,3-triazol-1-yl]ethyl]-4-[(2s,3r,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-benzamide
[H]/N=C(/C/C=C/N/C(=N\[H])/N)\C(=O)O	4VI	(2z,4e)-5-carbamimidamido-2-iminopent-4-enoic acid
c1cc(cc(c1)Cl)[C@@H](CO)N2CCCn3cc(cc3C2=O)c4ccnc(n4)N[C@H]5CC[C@H](C5)O	4VJ	2-[(1s)-1-(3-chlorophenyl)-2-hydroxyethyl]-8-(2-{[(1s,3r)-3-hydroxycyclopentyl]amino}pyrimidin-4-yl)-2,3,4,5-tetrahydro-1h-pyrrolo[1,2-a][1,4]diazepin-1-one
c1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)c3cccc(c3)CO	4VK	n-{[3'-(hydroxymethyl)biphenyl-4-yl]methyl}benzenesulfonamide
c1cc(c(cc1CO)c2ccc(nc2)N3CCC(CC3)C(=O)O)F	4VL	1-{5-[2-fluoro-5-(hydroxymethyl)phenyl]pyridin-2-yl}piperidine-4-carboxylic acid
c1cc2cc(ccc2nc1)CNC(=O)C3CCN(CC3)c4ccc(cn4)c5cc(ccc5F)CO	4VM	1-{5-[2-fluoro-5-(hydroxymethyl)phenyl]pyridin-2-yl}-n-(quinolin-6-ylmethyl)piperidine-4-carboxamide
c1cc(c(cc1CO)c2ccc(nc2)N3CCC(CC3)C(=O)O)Cl	4VN	1-{5-[2-chloro-5-(hydroxymethyl)phenyl]pyridin-2-yl}piperidine-4-carboxylic acid
C[C@@]12C[C@@]34C=C[C@@]1([C@H]([C@@]35CCN([C@@H]4Cc6c5cc(cc6)O)C)N[C@H]2c7ccccc7)OC	4VO	(2s,3s,3ar,5ar,6r,11br,11cs)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1h-6,11b-(epiminoethano)-3,5a-m ethanonaphtho[2,1-g]indol-10-ol
C=Cc1ccc(cc1)O	4VP	4-ethenylphenol
Cc1cc(ccc1C(=O)O)c2c(ncc(n2)c3cc(c(c(c3)OC)OC)OC)N	4VQ	4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-methylbenzoic acid
CCCC1=CC(=O)n2c(nc(n2)NCc3ccc(cc3)Br)N1	4VR	2-[(4-bromobenzyl)amino]-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4h)-one
CCC1=CC(=O)n2c(c(c(n2)C)C#N)N1	4VS	5-ethyl-2-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
c1ccc(cc1)CC2=CC(=O)n3c(c(cn3)C#N)N2	4VT	5-benzyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
c1cc(cnc1)[C@H]2CC3CCN2CC3	4VU	(2r)-2-(pyridin-3-yl)-1-azabicyclo[2.2.2]octane
C1N(/C(=C/NO)/N=C1)CCCCCCCN2/C(=C/NO)/N=CC2	4VV	(z,z)-[heptane-1,7-diylbis(1h-imidazol-1-yl-2-ylidene)]bis(n-hydroxymethanamine)
CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)c3ccc(cc3)N	4VW	5-[(2s)-2-[[(4-aminophenyl)carbonylamino]methyl]-4-methyl-pentyl]-1,3-benzodioxole-4-carboxylic acid
c1ccc(cc1)[C@H]2Cc3c(c4cc(ccc4n3Cc5ccc(s5)C(=O)NO)Br)S2	4VX	5-[[(2r)-7-bromanyl-2-phenyl-2,3-dihydrothieno[3,2-b]indol-4-yl]methyl]-n-oxidanyl-thiophene-2-carboxamide
CN(CCO)c1ccc(cn1)Br	4VY	2-[(5-bromo-2-pyridyl)-methyl-amino]ethanol
CCOc1cc(ccc1O)/C=C\2/C(=O)NC(=S)S2	4VZ	(5~{z})-5-[(3-ethoxy-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CC1=C(Nc2cccc(c2C1=O)F)c3ccc(cc3)Cc4ccc(cc4)OC(F)(F)F	4W0	5-fluoro-3-methyl-2-{4-[4-(trifluoromethoxy)benzyl]phenyl}quinolin-4(1h)-one
c1ccc2c(c1)c(cs2)CO	4W1	1-benzothiophen-3-ylmethanol
CCCCC1=CC(=O)n2c(c(c(n2)NCc3ccc(cc3F)Cl)C#N)N1	4W4	5-butyl-2-[(4-chloro-2-fluorobenzyl)amino]-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CCOC(=O)c1ccc2c(c1)c[nH]n2	4W5	ethyl 2h-indazole-5-carboxylate
CCCC1=CC(=O)n2c(c(c(n2)CC(=O)N3CCCC3)C#N)N1	4W6	7-oxo-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)c3cc4c([nH]3)cccc4OC)C(=O)N[C@@H](C[C@@H]5CCNC5=O)[C@@H](c6nc7ccccc7s6)O)C	4W8	(1r,2s,5s)-n-{(1s,2s)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-(4-methoxy-1h-indole-2-carbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CC[C@@H]1C[C@@]2(C=C([C@@H](C[C@@]23C(=C(C(=O)[C@@]4([C@@H](CC[C@H]5[C@H]4CCC[C@@H]5O)C[C@H]1O)C)C(=O)N3)O)C)C)C	4W9	(4s,4as,6as,8r,9r,10ar,13r,14as,18ar,18br)-9-ethyl-4,8,19-trihydroxy-10a,12,13,18a-tetramethyl-2,3,4,4a,5,6,6a,7,8,9,10,10a,13,14,18a,18b-hexadecahydro-1h-14a,17-(metheno)benzo[b]naphtho[2,1-h]azacyclododecine-16,18(15h,17h)-dione
c1cc(ccc1N)N=Nc2ccc(cc2)S(=O)(=O)N	4WA	4-[(e)-(4-aminophenyl)diazenyl]benzenesulfonamide
CN1CCC2(CC1)c3ccccc3N([C@@H]2c4cccc(c4)Cl)Cc5ccc(s5)C(=O)NO	4WB	5-[[(2r)-2-(3-chlorophenyl)-1'-methyl-spiro[2h-indole-3,4'-piperidine]-1-yl]methyl]-n-oxidanyl-thiophene-2-carboxamide
C1CCC(CC1)C[C@@H](C(=O)O)O	4WC	(s)-cyclohexyl lactic acid
COc1ccc(cc1C#C)/C=C\2/C(=O)NC(=S)S2	4WD	(5~{z})-5-[(3-ethynyl-4-methoxy-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Cc1ncc(n1C(C)C)c2c(cnc(n2)Nc3ccc(cc3)C(=O)NCCN4CCCCC4)F	4WE	4-({5-fluoro-4-[2-methyl-1-(propan-2-yl)-1h-imidazol-5-yl]pyrimidin-2-yl}amino)-n-[2-(piperidin-1-yl)ethyl]benzamide
c1ccc(cc1)CN2C(=C(C(=O)NC2=O)N)O	4WF	5-azanyl-6-oxidanyl-1-(phenylmethyl)pyrimidine-2,4-dione
CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C)N5CCC(CC5)O	4WG	2-{[2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one
Cc1cc(c(cc1OC)OC)n2c(c(nn2)S(=O)(=O)c3ccc(cc3)C(C)(C)C)C	4WH	4-[(4-tert-butylphenyl)sulfonyl]-1-(2,4-dimethoxy-5-methylphenyl)-5-methyl-1h-1,2,3-triazole
[H]/N=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]2[C@@H]3[C@@H](C3(C)C)CN2C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F	4WI	(1r,2s,5s)-n-{(1e,2s)-1-imino-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-n-(trifluoroacetyl)-l-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
c1c(cn(n1)C2CC[NH2+]CC2)Br	4WJ	4-(4-bromo-1h-pyrazol-1-yl)piperidinium
C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N)[NH3+]	4WK	(2s)-1-{[(2s)-1-amino-3-methyl-1-oxobutan-2-yl]amino}-1-oxopropan-2-aminium
c1csc2c1[nH]c(c2)C(=O)O	4WL	4h-thieno[3,2-b]pyrole-5-carboxylic acid
CC(C)(C)O[C@@H](N[C@H](CCC(O)O)C[Se][C@H]1CCCC=C1)O	4WM	(4r)-4-{[(s)-tert-butoxy(hydroxy)methyl]amino}-5-[(1s)-cyclohex-2-en-1-ylselanyl]pentane-1,1-diol
Cn1ccnc1CCN2CCc3cccc(c3C2)N	4WN	2-[2-(1-methyl-1h-imidazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinolin-8-amine
COC(=O)CCN1CCc2cccc(c2C1)N	4WO	methyl 3-(8-amino-3,4-dihydroisoquinolin-2(1h)-yl)propanoate
COC(=O)CCN1CCc2ccccc2C1	4WP	methyl 3-(3,4-dihydroisoquinolin-2(1h)-yl)propanoate
CC(C)(C)CCCC[C@@H](C(=O)O)N	4WQ	(2s)-2-amino-7,7-dimethyloctanoic acid
C1=C(C(=O)NC(=O)N1C[C@@H](CN)N)F	4WR	1-[(2r)-2,3-diaminopropyl]-5-fluoropyrimidine-2,4(1h,3h)-dione
CC(=O)NC[C@@H]1[C@H]([C@@H]([C@@H]2N1CC[C@@H]2O)O)O	4WS	n-{[(1r,2r,3r,7s,7ar)-1,2,7-trihydroxyhexahydro-1h-pyrrolizin-3-yl]methyl}acetamide
CC1(CNCc2c1cccc2)C	4WT	4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline
c1cc2c(c(c1)N)CNCC2	4WU	1,2,3,4-tetrahydroisoquinolin-8-amine
C1OC[S]2[Fe]3([S]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+]	4WV	bis(cyanido-kappac)(dicarbonyl)-mu-(oxomethylidene)-mu-(oxydimethanethiolate-1kappas:2kappas)diiron(2+)
C1C[S]2[Fe]3(C(=O)[Fe]2([S]3C1)(C#N)C#[O+])(C#N)C#[O+]	4WW	bis(cyanido-kappac)(dicarbonyl)-mu-(oxomethylidene)[mu-propane-1,3-bis(thiolate)-1kappa~2~s~1~,s~3~:2kappa~2~s~1~,s~3~] diiron(2+)
C1SC[S]2[Fe]3([S]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+]	4WX	bis(cyanido-kappac)(dicarbonyl)-mu-(oxomethylidene)-mu-(sulfanediyldimethanethiolatato-1kappas:2kappas)diiron(2+)
C(C(=O)O[C@@H]1[C@@H](C([C@H]([C@@H](C1OP(=O)(O)O)OC(=O)CP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)P(=O)(O)O	4WY	{[(1r,3s,4s,5r,6s)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl]bis[oxy(2-oxoethane-2,1-diyl)]}bis(phosphonic acid)
C(P(=O)(O)O)P(=O)(O)O[C@@H]1[C@@H](C([C@H]([C@@H](C1OP(=O)(O)O)OP(=O)(CP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	4WZ	{[(1r,3s,4s,5r,6s)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl]bis[oxy(hydroxyphosphoryl)methanediyl]}bis(phosphonic acid)
c1ccc2c(c1)CCN(C2)CCCN	4X1	3-(3,4-dihydroisoquinolin-2(1h)-yl)propan-1-amine
c1nc2c(n1C[C@@H](CO)OCCP(=O)(O)O)N=CNC2=O	4X2	(2-{[(2s)-1-hydroxy-3-(6-oxo-1,6-dihydro-9h-purin-9-yl)propan-2-yl]oxy}ethyl)phosphonic acid
CCN1CCc2c(cccc2N)C1	4X3	2-ethyl-1,2,3,4-tetrahydroisoquinolin-5-amine
COc1ccc2c([nH]1)c(c3n2cc4c3nccc4)CCNC(=O)c5ccco5	4X4	n-[2-(2-methoxy-1h-dipyrido[2,3-a:3',2'-e]pyrrolizin-11-yl)ethyl]furan-2-carboxamide
CN1CCc2c(cccc2N)C1	4X6	2-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
c1nc2c(n1C[C@@H](CO)OCCP(=O)(O)O)N=C(NC2=O)N	4X7	(2-{[(2s)-1-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3-hydroxypropan-2-yl]oxy}ethyl)phosphonic acid
Cc1c(ccnc1CN2CCc3cccc(c3C2)N)N	4X8	2-[(4-amino-3-methylpyridin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-8-amine
Cc1c(c(c(c(n1)C)Cl)O)c2ccc(cc2)Oc3ccc(cc3)OC(F)(F)F	4X9	3-chloro-2,6-dimethyl-5-{4-[4-(trifluoromethoxy)phenoxy]phenyl}pyridin-4-ol
Cc1cc2cn(cc2cc1C)c3cccc(c3)C(=O)N/N=C/c4ccco4	4XA	3-(5,6-dimethyl-2h-isoindol-2-yl)-n'-[(e)-furan-2-ylmethylidene]benzohydrazide
Cc1c2c(cccc2OC3CCNCC3)oc1C(=O)OCc4cccc(c4)OC	4XB	3-methoxybenzyl 3-methyl-4-(piperidin-4-yloxy)-1-benzofuran-2-carboxylate
CNC(=O)CCN1CCc2cccc(c2C1)N	4XC	3-(8-amino-3,4-dihydroisoquinolin-2(1h)-yl)-n-methylpropanamide
COCCN1CCc2cccc(c2C1)N	4XD	2-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine
C1CCN(CC1)C(=O)CN2CC[NH2+]CC2	4XE	4-[2-oxo-2-(piperidin-1-yl)ethyl]piperazin-1-ium
C[C@@H](C(=O)Nc1cccc(n1)N)[NH3+]	4XF	(2s)-1-[(6-aminopyridin-2-yl)amino]-1-oxopropan-2-aminium
CN(C)CCCN1CCc2cccc(c2C1)N	4XG	2-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine
c1cc2c(cccn2)c(c1)Br	4XH	5-bromoquinoline
CN1CCC2(CC1)c3ccccc3N([C@H]2c4ccc(cc4)Cl)Cc5ccc(s5)C(=O)NO	4XI	5-[[(2s)-2-(4-chlorophenyl)-1'-methyl-spiro[2h-indole-3,4'-piperidine]-1-yl]methyl]-n-oxidanyl-thiophene-2-carboxamide
COCC(COC)N1CCc2cccc(c2C1)N	4XJ	2-(1,3-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinolin-8-amine
c1cc2c(c(c1)N)CCN(C2)CCCOC3CCOCC3	4XK	2-[3-(tetrahydro-2h-pyran-4-yloxy)propyl]-1,2,3,4-tetrahydroisoquinolin-5-amine
c1cc2c(c(c1)N)CN(CC2)CCCN3CCOCC3	4XL	2-[3-(morpholin-4-yl)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine
c1cc2c(c(c1)N)CN(CC2)CCCOC3CCOCC3	4XM	2-[3-(tetrahydro-2h-pyran-4-yloxy)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine
Cn1c2ccc(cc2cn1)c3ccc(cc3)C4=NC5(CC5)C(=O)N4C[C@@H]6CCN(C6)C(=O)C7CC7	4XN	6-{[(3r)-1-(cyclopropylcarbonyl)pyrrolidin-3-yl]methyl}-5-[4-(1-methyl-1h-indazol-5-yl)phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one
Cc1cc2cc(cn2c(c1Nc3ncnc(n3)Nc4ccc(cc4)C#N)C)C#N	4XO	6-({4-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}amino)-5,7-dimethylindolizine-2-carbonitrile
Cn1cc(nn1)CCCc2cn(nn2)C	4XP	4,4'-propane-1,3-diylbis(1-methyl-1h-1,2,3-triazole)
CCCn1cc(nn1)CCCCCc2cn(nn2)CCC	4XQ	4,4'-pentane-1,5-diylbis(1-propyl-1h-1,2,3-triazole)
C1C=C(O[C@@H]([C@@H]1N)O)CN	4XR	(2s,3r)-3-amino-6-(aminomethyl)-3,4-dihydro-2h-pyran-2-ol
Cc1c(nc(nc1Cl)C2CC2)Cl	4XS	4,6-dichloro-2-cyclopropyl-5-methylpyrimidine
Cc1c(nc(nc1Cl)OCCCc2ccc3ccccc3n2)NCc4c(nc(s4)C)C	4XU	6-chloro-n-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[3-(quinolin-2-yl)propoxy]pyrimidin-4-amine
Cc1c(nc(nc1Cl)C2CC2)N	4XV	6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
C[C@H]1CC=CC([C@H]1CC[C@H](C)CCC[C@@H](C)CC(=O)O)(C)C	4XW	(5s,6s,9r,13r)-2,3-didehydro-5,6,7,8,9,10,11,12,13,14-decahydroretinoic acid
CC1=C(C(=O)CO1)O	4XX	4-hydroxy-5-methylfuran-3(2h)-one
CCCNc1c(c(nc(n1)C2CC2)Cl)C	4XY	6-chloro-2-cyclopropyl-5-methyl-n-propylpyrimidin-4-amine
COc1ccc(cc1OC)C(=O)Nc2cc([nH]n2)c3ccccc3	4Y0	3,4-dimethoxy-n-(5-phenyl-1h-pyrazol-3-yl)benzamide
Cc1c(nc(nc1Cl)OCCc2ccccn2)NCc3c(nc(s3)C)C	4Y1	6-chloro-n-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[2-(pyridin-2-yl)ethoxy]pyrimidin-4-amine
Cc1c(nc(nc1Cl)C2CC2)NCc3c(nc(s3)C)C	4Y2	6-chloro-2-cyclopropyl-n-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methylpyrimidin-4-amine
C1[C@@H](O[C@@H]([SH2]1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=C(C(=NC2=O)N)F	4Y3	[[(2~{s},5~{r})-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3$l^{4}-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
CCCNC[C@H](COc1ccccc1C(=O)CCc2ccccc2)O	4Y4	1-[2-[(2r)-2-oxidanyl-3-(propylamino)propoxy]phenyl]-3-phenyl-propan-1-one
c1cc(c(c(c1)Cl)C(=O)n2c3cccc(c3c(n2)c4ccc(cc4F)C(=O)O)F)C(F)(F)F	4Y5	4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoro-1h-indazol-3-yl}-3-fluorobenzoic acid
C[C@@]1(CCC(=CC1)c2c3c(cccc3F)n(n2)C(=O)c4c(cccc4Cl)C(F)(F)F)C(=O)O	4Y6	(1s)-4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoro-1h-indazol-3-yl}-1-methylcyclohex-3-ene-1-carboxylic acid
c1cc(c(c(c1)Cl)C(=O)n2c3cccnc3c(n2)c4cc(c(cc4F)C(=O)O)O)C(F)(F)F	4Y7	4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1h-pyrazolo[4,3-b]pyridin-3-yl}-5-fluoro-2-hydroxybenzoic acid
CC(=O)CO	4Y8	1-hydroxypropan-2-one
CCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O	4YA	hexyl 2-o-(6-deoxy-alpha-l-galactopyranosyl)-beta-d-galactopyranoside
c1ccc(c(c1)C(=O)CCC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)C(=O)O	4YB	5'-o-{[4-(2-carboxyphenyl)-4-oxobutanoyl]sulfamoyl}adenosine
C[C@@H]1CN(CC[NH2+]1)CC(=O)N2CC(c3c2cc(cc3)Cl)(C)C	4YC	(2r)-4-[2-(6-chloro-3,3-dimethyl-2,3-dihydro-1h-indol-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium
C[C@@H]1CN(CC[NH2+]1)CC(=O)N2CCCC2	4YD	(2r)-2-methyl-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-ium
C[C@@H]1CN(CC[NH2+]1)CC(=O)N2CCc3c2cccc3	4YE	(2r)-4-[2-(2,3-dihydro-1h-indol-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium
C[C@@H]1CN(CC[NH2+]1)CC(=O)N2CCc3c2cc(nc3)Cl	4YF	(2r)-4-[2-(6-chloro-2,3-dihydro-1h-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium
CC(C)[C@@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@@H](c4nc5ccccc5s4)O)C2(C)C)NS(=O)(=O)C	4YG	(1r,2s,5s)-n-{(1s,2s)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-[n-(methanesulfonyl)-l-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CC(C)[C@](CCCN(C)CCc1ccc(c(c1)OC)OC)(C#N)c2ccc(c(c2)OC)OC	4YH	(2s)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile
COc1cc(ccc1NC(=O)c2ccccc2Cl)/N=N/c3ccccn3	4YI	2-chloranyl-~{n}-[2-methoxy-4-[(~{e})-pyridin-2-yldiazenyl]phenyl]benzamide
COc1ccc(cc1)Cc2c(nc(s2)N)C(=O)O	4YJ	2-azanyl-5-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid
COc1ccc-2c(c1)NC(=O)c3c2c4ccccc4s3	4YK	3-methoxy[1]benzothieno[2,3-c]quinolin-6(5h)-one
C[C@@H]1CN([C@H](C[NH2+]1)COC)CC(=O)N2CC(c3c2cc(nc3)Cl)(C)C	4YL	(2r,5r)-4-[2-(6-chloro-3,3-dimethyl-2,3-dihydro-1h-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-5-(methoxymethyl)-2-methylpiperazin-1-ium
CCOC(=O)c1cnc2c(c1N3CCO[C@@H](C3)CN)c(n[nH]2)c4cccc(c4)C#N	4YM	ethyl 4-[(2r)-2-(aminomethyl)morpholin-4-yl]-3-(3-cyanophenyl)-1h-pyrazolo[3,4-b]pyridine-5-carboxylate
C[C@@H]1CN([C@H](C[NH2+]1)COC)CC(=O)N2CC(c3c2cc(nc3)Cc4ccccc4)(C)C	4YN	(2r,5r)-4-[2-(6-benzyl-3,3-dimethyl-2,3-dihydro-1h-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-5-(methoxymethyl)-2-methylpiperazin-1-ium
c1cc2c(cc1Br)NCC(=O)N2	4YO	6-bromo-3,4-dihydroquinoxalin-2(1h)-one
CC1=C(C(=O)C(=C(C1=O)N)OC)C/C=C(\C)/CCC=C(C)C	4YP	2-amino-5-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-3-methoxy-6-methylcyclohexa-2,5-diene-1,4-dione
C1CC1c2c(sc(n2)OCCO)C(=O)NC3[C@@H]4CC5C[C@H]3CC(C4)(C5)O	4YQ	4-cyclopropyl-2-(2-hydroxyethyloxy)-n-[(1s,3r)-5-oxidanyl-2-adamantyl]-1,3-thiazole-5-carboxamide
c1ccc2c(c1)C(=O)NC(=O)N2Cc3ccc(c(c3)C(=O)N[C@@H]4CCN(C4)CC5CC5)F	4YR	n-[(3r)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-[(2,4-dioxo-3,4-dihydroquinazolin-1(2h)-yl)methyl]-2-fluorobenzamide
c1ccc2c(c1)C=CNC2=O	4YS	isoquinolin-1(2h)-one
CCc1nnc2n1c3cc(ccc3c(c2)C)OC	4YT	1-ethyl-8-methoxy-5-methyl[1,2,4]triazolo[4,3-a]quinoline
Cc1c(c2cc(ccc2n1C)OC)C(=O)NCC=CC(=O)OC	4YU	methyl (2e)-4-{[(5-methoxy-1,2-dimethyl-1h-indol-3-yl)carbonyl]amino}but-2-enoate
COC1CCN(CC1)c2nccc(n2)Nc3cc4c(cn3)ncn4C5CCCC5	4YV	1-cyclopentyl-n-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1h-imidazo[4,5-c]pyridin-6-amine
Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)N4CCC(CC4)S(=O)(=O)C	4YW	2-methyl-n-{2-[4-(methylsulfonyl)piperidin-1-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1h-imidazo[4,5-c]pyridin-6-amine
Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)N4CCC(CC4)(CCN)OC	4YX	n-{2-[4-(2-aminoethyl)-4-methoxypiperidin-1-yl]pyrimidin-4-yl}-2-methyl-1-(propan-2-yl)-1h-imidazo[4,5-c]pyridin-6-amine
Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O	4YY	n-[(1-fluorocyclopropyl)carbonyl]-3-methyl-l-valyl-(4r)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide
c1cc(ccc1SCCC(=O)O)Cl	4YZ	3-[(4-chlorophenyl)sulfanyl]propanoic acid
c1cc(sc1)C(=O)OC=CC(=O)C(=O)O	4Z0	(3e)-2-oxo-4-[(thiophen-2-ylcarbonyl)oxy]but-3-enoic acid
c1cc(c(cc1Cl)Cl)NNC(=O)C(=O)O	4Z1	[2-(2,4-dichlorophenyl)hydrazinyl](oxo)acetic acid
c1ccc2c(c1)CCN(C2)C[C@H](CNC(=O)c3ccnc(c3)NC4CCC4)O	4Z2	2-(cyclobutylamino)-n-[(2s)-3-(3,4-dihydroisoquinolin-2(1h)-yl)-2-hydroxypropyl]pyridine-4-carboxamide
c1ccc(c(c1)NC(=O)C=NO)Br	4Z3	(2e)-n-(2-bromophenyl)-2-(hydroxyimino)acetamide
c1c(c(cc(c1F)Cl)Cl)C(=O)O	4Z4	2,4-dichloro-5-fluorobenzoic acid
Cc1cc(c(cc1c2cc3cnc(nc3nc2C)NC)NC(=O)NCCC(C)(C)C)F	4Z5	1-(3,3-dimethylbutyl)-3-{2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl}urea
Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)NCC(C)(C)C(=O)N	4Z8	2,2-dimethyl-3-[(4-{[2-methyl-1-(propan-2-yl)-1h-imidazo[4,5-c]pyridin-6-yl]amino}pyrimidin-2-yl)amino]propanamide
c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)O)O	4Z9	(2r)-2-hydroxy-3-(1h-indol-3-yl)propanoic acid
c1csc2c1cc([nH]2)C(=O)O	4ZA	6h-thieno[2,3-b]pyrrole-5-carboxylic acid
Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)N4CC[C@@](C4)(C)C(=O)N	4ZB	(3r)-3-methyl-1-(4-{[2-methyl-1-(propan-2-yl)-1h-imidazo[4,5-c]pyridin-6-yl]amino}pyrimidin-2-yl)pyrrolidine-3-carboxamide
c1cc(c(cc1Cl)C#N)O	4ZC	5-chloro-2-hydroxybenzonitrile
c1ccc(cc1)SC=CC(=O)O	4ZD	(2e)-3-(phenylsulfanyl)prop-2-enoic acid
Cc1cc(ccc1O)N	4ZE	4-amino-2-methylphenol
c1ccc2c(c1)/C(=C\3/C=C(NN3)C(=O)O)/C=N2	4ZF	(5e)-5-(3h-indol-3-ylidene)-2,5-dihydro-1h-pyrazole-3-carboxylic acid
Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)NCC(C)(C)S(=O)(=O)C	4ZG	n~2~-[2-methyl-2-(methylsulfonyl)propyl]-n~4~-[2-methyl-1-(propan-2-yl)-1h-imidazo[4,5-c]pyridin-6-yl]pyrimidine-2,4-diamine
Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)OCC(C)(C)S(=O)(=O)C	4ZH	2-methyl-n-[2-(2-methyl-2-methylsulfonyl-propoxy)pyrimidin-4-yl]-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine
Cc1c(c(on1)C)COc2ccccc2C(=O)Nc3cccc(c3)OC	4ZI	2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{n}-(3-methoxyphenyl)benzamide
Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)N4CC[C@@H]([C@@H](C4)F)OC	4ZJ	n-[2-[(3r,4s)-3-fluoranyl-4-methoxy-piperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine
c1c(cc(c(c1c2cc(cnc2)O)Cl)Cl)C[C@@H](C(=O)O)N	4ZK	3,4-dichloro-5-(5-hydroxypyridin-3-yl)-l-phenylalanine
CCOC(=O)CNC(=O)NCc1ccccc1	4ZL	ethyl n-(benzylcarbamoyl)glycinate
CCOC(=O)CNC(=O)NCc1cccc(c1)c2ccncc2	4ZM	ethyl n-{[3-(pyridin-4-yl)benzyl]carbamoyl}glycinate
CC(C)C[C@H](CP(=O)([C@H](c1ccccc1)N)O)C(=O)O	4ZN	(2s)-2-{[(r)-[(r)-amino(phenyl)methyl](hydroxy)phosphoryl]methyl}-4-methylpentanoic acid
CCOC(=O)CNC(=O)NCc1ccc(cc1)NC(=O)C	4ZO	ethyl n-{[4-(acetylamino)benzyl]carbamoyl}glycinate
CCOC(=O)CNC(=O)NCc1cccc(c1)c2cccnc2	4ZP	ethyl n-{[3-(pyridin-3-yl)benzyl]carbamoyl}glycinate
C[C@H](c1nc2cnc(cc2n1[C@@H](C)C(F)(F)F)Nc3ccnc(n3)N4CC[C@@H]([C@@H](C4)F)OC)O	4ZQ	(1r)-1-{6-({2-[(3r,4s)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl}amino)-1-[(2s)-1,1,1-trifluoropropan-2-yl]-1h-imidazo[4,5-c]pyridin-2-yl}ethanol
C[C@H](c1nc2cnc(cc2n1[C@@H](C)C(F)(F)F)Nc3ccnc(n3)N4CC[C@H]([C@H](C4)F)OC)O	4ZR	(1r)-1-{6-({2-[(3s,4r)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl}amino)-1-[(2s)-1,1,1-trifluoropropan-2-yl]-1h-imidazo[4,5-c]pyridin-2-yl}ethanol
Cc1cn2c(cc1CN(C)C)nc(c2c3ccnc(n3)NCC4CC4)c5ccc(c(c5)NS(=O)(=O)C)F	4ZS	n-[5-(3-{2-[(cyclopropylmethyl)amino]pyrimidin-4-yl}-7-[(dimethylamino)methyl]-6-methylimidazo[1,2-a]pyridin-2-yl)-2-fluorophenyl]methanesulfonamide
CCOC(=O)[C@H](CCSC)NC(=O)NCc1ccc(cc1)N	4ZT	ethyl n-[(4-aminobenzyl)carbamoyl]-l-methioninate
c1cc(cc2c1cc([nH]2)C(=O)O)Br	4ZU	6-bromanyl-1h-indole-2-carboxylic acid
c1cc2c(cc[nH]2)cc1C(=O)O	4ZV	1h-indole-5-carboxylic acid
c1cc2c(cc1C(=O)NC3CCNCC3)CC(=O)N2	4ZW	2-oxidanylidene-n-piperidin-4-yl-1,3-dihydroindole-5-carboxamide
c1ccc(cc1)CNC2CCN(CC2)S(=O)(=O)N3[C@@H]4CC[C@H]3CC(C4)NC(=O)c5cc6c(cc5Cl)NC(=O)C6	4ZX	6-chloranyl-2-oxidanylidene-n-[(1s,5r)-8-[4-[(phenylmethyl)amino]piperidin-1-yl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,3-dihydroindole-5-carboxamide
c1cc(ccc1CN)N	4ZY	4-(aminomethyl)aniline
CCOC(=O)CNC(=O)NCc1cccc(c1)c2ccncc2N	4ZZ	ethyl n-{[3-(3-aminopyridin-4-yl)benzyl]carbamoyl}glycinate
CCCCNc1cc(nc2n1nc(n2)Nc3cc(ccc3C)Cl)C	501	n7-butyl-n2-(5-chloro-2-methylphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine
CCOC(=O)CNC(=O)NCc1ccnc(c1)N	502	ethyl n-{[(2-aminopyridin-4-yl)methyl]carbamoyl}glycinate
COc1c(c2cc(ccc2[nH]1)F)C(=O)OCC3CCN(CC3)CCNS(=O)(=O)c4ccccc4	503	[1-[2-(phenylsulfonylamino)ethyl]piperidin-4-yl]methyl 5-fluoranyl-2-methoxy-1~{h}-indole-3-carboxylate
c1cc(cc(c1)OCCCC2CCNCC2)CC(=O)Nc3nc(cs3)c4c[nH]c5c4cccn5	504	2-{3-[3-(piperidin-4-yl)propoxy]phenyl}-n-[4-(1h-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide
Cc1cccc(c1OC[C@@H](C)N)C	505	(2r)-1-(2,6-dimethylphenoxy)propan-2-amine
c1cc(c(cc1F)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)F)/C=C/C#N	506	(2e)-3-(3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]-4-fluorophenoxy}-5-fluorophenyl)prop-2-enenitrile
CC(=O)c1cccc(c1)c2cnc3n2nc(cc3)NC4CCOCC4	507	1-{3-[6-(tetrahydro-2h-pyran-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl}ethanone
c1ccc(cc1)[C@@H]2CCN([C@@H](C2)c3ccccc3)C(=O)[C@@H]4CNC[C@]45CCCc6c5cccc6	508	(1r,4's)-3,4-dihydro-2h-spiro[naphthalene-1,3'-pyrrolidin]-4'-yl[(2s,4r)-2,4-diphenylpiperidin-1-yl]methanone
c1ccc(cc1)c2c(c(c(s2)C(=O)O)OCC(=O)O)Br	509	4-bromo-3-(carboxymethoxy)-5-phenylthiophene-2-carboxylic acid
C([C@@H]1[C@H]([C@H]([C@H](O1)O)F)O)OP(=O)(O)O	50A	2-deoxy-2-fluoro-5-o-phosphono-alpha-d-ribofuranose
COc1ccc2c(c1OC)c[n+]3c(c2CCCC(c4ccccc4)c5ccccc5)-c6cc7c(cc6CC3)OCO7	50B	13-diphenylalkyl berberine
Cc1c(n[nH]c1N)c2ccc(cc2)F	50C	3-(4-fluorophenyl)-4-methyl-1h-pyrazol-5-amine
c1cnc(cc1C#N)Nc2cc(cc(n2)N3CCC(C3)(F)F)C4CCN(CC4)C5COC5	50D	2-[[6-[3,3-bis(fluoranyl)pyrrolidin-1-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-yl]amino]pyridine-4-carbonitrile
CC(C)n1c(cc(n1)Nc2cc(ccn2)C(F)(F)F)C3CCNCC3	50E	n-(5-piperidin-4-yl-1-propan-2-yl-pyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine
c1cnc(cc1C#N)Nc2cc(n(n2)C3CCCC3)C4CCN(CC4)C5COC5	50F	2-[[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile
c1c(nnn1[C@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)O)O)O)CO)COCC(COCc3cn(nn3)[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)(COCc5cn(nn5)[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)N	50G	dendron-d1
COc1ccc(cc1OC)Nc2c3nccn3cc(n2)c4cccc(c4)C(=O)N	50H	3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}benzamide
[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cc3ccccc3o2)N4CCCCCC4)N	50I	3-azanyl-5-(azepan-1-yl)-6-(1-benzofuran-2-yl)-ncarbamimidoyl-pyrazine-2-carboxamide
CNC(=O)c1ccc(cc1)NC(=O)c2cccc(c2)c3cn4ccnc4c(n3)Nc5ccc(c(c5)OC)OC	50J	3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}-n-[4-(methylcarbamoyl)phenyl]benzamide
[H]/N=C(/c1ccc2c(c1)cc([nH]2)c3cccc(n3)C4(CCCCC4)O)\N	50K	2-[6-(1-hydroxycyclohexyl)pyridin-2-yl]-1h-indole-5-carboximidamide
C1=C[N]2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=NC2=O)N	50L	[(2r,3s,4r,5r)-5-(4-azanyl-2-oxidanylidene-1$l^{4},3,5,7-tetrazabicyclo[4.3.0]nona-1(6),3,8-trien-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
C[C@@H]1CN2c3ccc(cc3C[C@]4([C@H]2[C@@H](O1)C)C(=O)NC(=O)N=C4O)[N+](=O)[O-]	50M	(2r,4s,4as,5r)-6'-hydroxy-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'h,6h-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4'(3'h)-dione
c1c(c(nc(c1[N+](=O)[O-])N)O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	50N	(1s)-1-(6-amino-2-hydroxy-5-nitropyridin-3-yl)-1,4-anhydro-5-o-phosphono-d-ribitol
CNc1c2c(c3cc(n(c3n1)C[C@@H](CO)O)C(=O)N(C4CC4)C5CC5)n(cn2)C	50O	n,n-dicyclopropyl-6-[(2s)-2,3-dihydroxypropyl]-1-methyl-4-(methylamino)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide
CC(C)C1=C(Nc2c(cnn2C1=O)C#N)c3ccccc3	50P	7-oxo-5-phenyl-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
c1cc(c(cc1Oc2cc(cc(c2)O)O)Cl)Cl	50Q	5-(3,4-dichloro-phenoxy)-benzene-1,3-diol
CNC(=O)c1cc2c(cncc2s1)Oc3ccc(cc3)I	50R	4-(4-iodophenoxy)-n-methylthieno[2,3-c]pyridine-2-carboxamide
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[V](O)(O)(O)O)O)O)N	50T	adenosine-5'-phosphovanadate
[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CCC3CCCCC3)\N	50U	(s)-n-(4-carbamimidoylbenzyl)-1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxamide
CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4cc(n(n4)C)C)C(=O)N(C5CC5)C6CC6	50V	n,n-dicyclopropyl-4-[(1,5-dimethyl-1h-pyrazol-3-yl)amino]-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide
CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4nc(c(s4)C)C)C(=O)N(C5CC5)C6CC6	50W	n,n-dicyclopropyl-4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide
c1ccc2c(c1)nc(n2Cc3ccc(s3)CNC(=O)[C@@H]([C@H](C(=O)N4CCC[C@@H]4c5cccc(c5)Cl)O)O)C(F)(F)F	50X	(2r,3r)-4-[(2r)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-n-[(5-{[2-(trifluoromethyl)-1h-benzimidazol-1-yl]methyl}thiophen-2-yl)methyl]butanamide
CCn1c(cc2c1nc(c3c2n(cn3)C)NCCCOC)C(=O)N(C4CC4)C5CC5	50Y	n,n-dicyclopropyl-6-ethyl-4-[(3-methoxypropyl)amino]-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide
C=CCNc1nc(c(s1)C(=O)c2ccccn2)N	50Z	[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-2-yl)methanone
COC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)[C@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O)OS(=O)(=O)N	510	methyl (2s,4r)-1-[(2s,3r,4r,5s,6s)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfonyl-4-sulfamoyloxy-pyrrolidine-2-carbox  ylate
COc1ccc2c(c1)c(cn2C(=O)c3ccc(cc3)Cl)CC(=O)O	511	[1-(4-chlorobenzoyl)-5-methoxy-1h-indol-3-yl]acetic acid
c1c(c(c(s1)C(=O)O)OCC(=O)O)Br	512	4-bromo-3-(carboxymethoxy)thiophene-2-carboxylic acid
c1cc2c(cc1Br)c(cs2)CN	513	1-(5-bromo-1-benzothiophen-3-yl)methanamine
CC(=O)[N+]1=CC\2=C(C1)N=N/C2=N/C(=O)c3ccccc3	514	(3z)-5-acetyl-3-(benzoylimino)-3,6-dihydropyrrolo[3,4-c]pyrazol-5-ium
CC(=O)N[C@@H](Cc1ccc(c2c1cccc2)N(c3ccccc3C(=O)O)C(=O)C(=O)O)C(=O)NCCCCCOc4cc5ccccc5cc4C(=O)O	515	3-({5-[(n-acetyl-3-{4-[(carboxycarbonyl)(2-carboxyphenyl)amino]-1-naphthyl}-l-alanyl)amino]pentyl}oxy)-2-naphthoic acid
C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2c3nc(cs3)c4cccc5c4cccc5)NC	516	n-{(1s)-1-cyclohexyl-2-[(2s)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl}-n~2~-methyl-l-alaninamide
CC(c1ccc[nH]1)C2=C3C=C(C=CC3=NC2=O)NC(=O)N	517	1-{2-oxo-3-[(1r)-1-(1h-pyrrol-2-yl)ethyl]-2h-indol-5-yl}urea
CNC(=O)[C@H](C1CCCCC1)NC(=O)c2ccc(o2)c3ccc(cc3)NC(=O)c4cc5ccccc5o4	518	n-[4-(5-{[(1s)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl}furan-2-yl)phenyl]-1-benzofuran-2-carboxamide
CC(C)NC(=O)NC1CCC(CC1)Nc2ncc3c(n2)N(C(=O)C=C3)C(C)C	519	1-(trans-4-{[7-oxo-8-(propan-2-yl)-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}cyclohexyl)-3-propan-2-ylurea
c1ccc(cc1)C(=O)Nc2cnc(n3c2nnc3)NCc4c(ccc5c4CCO5)F	51A	n-[5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzamide
CNc1ncc(cn1)CN2CCC[C@@H](C2)c3nc(cc(n3)O)c4cccs4	51B	(6m)-2-[(3s)-1-{[2-(methylamino)pyrimidin-5-yl]methyl}piperidin-3-yl]-6-(thiophen-2-yl)pyrimidin-4-ol
CCCCCCCO[C@H]1CO[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO	51C	(6r)-1,6-anhydro-2-o-heptyl-6-(hydroxymethyl)-d-galactitol
c1cnn(c1)c2cc(ncn2)c3cc(cc(c3F)Cl)C#N	51D	3-chloro-4-fluoro-5-[6-(1h-pyrazol-1-yl)pyrimidin-4-yl]benzonitrile
c1cc(ncc1F)c2cc(ncn2)c3cc(cc(c3)Cl)C#N	51E	3-chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile
Cc1nccn1CCO	51F	2-(2-methyl-1h-imidazol-1-yl)ethanol
C[C@H]([C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)NC	51G	gentamicin c1
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@H]([C@@H]([C@H](O[C@@H]4O[C@H]5[C@@H](C[C@@H]([C@H]([C@@H]5O)O[C@@H]6[C@@H](C[C@@H]([C@H](O6)CN)O)N)N)N)CO)O)N)O)O)N	51H	adenylyl-2"-tobramycin
CCCc1ccc(cc1)Cc2c(nc(s2)N)C(=O)O	51I	2-azanyl-5-[(4-propylphenyl)methyl]-1,3-thiazole-4-carboxylic acid
CC#CCNS(=O)(=O)c1cc(ccc1C(=O)O)S(=O)(=O)N	51J	2-(but-2-yn-1-ylsulfamoyl)-4-sulfamoylbenzoic acid
c1c(cc(cc1C(F)(F)F)C(F)(F)F)c2ncn(n2)CCc3nnco3	51K	2-(2-{3-[3,5-bis(trifluoromethyl)phenyl]-1h-1,2,4-triazol-1-yl}ethyl)-1,3,4-oxadiazole
Cc1cc(c(c(c1C)S(=O)(=O)Nc2ccc(c3c2cccc3)N4CC[C@@H](C4)C(=O)O)C)C	51M	(3s)-1-(4-{[(2,3,5,6-tetramethylphenyl)sulfonyl]amino}naphthalen-1-yl)pyrrolidine-3-carboxylic acid
C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)OP(=O)(O)OP(=O)(O)O	51N	5-o-[(r)-hydroxy(phosphonooxy)phosphoryl]-1-o-phosphono-alpha-d-ribofuranose
Cn1c2c([n+](c1[Au+]c3n(c4c([n+]3C)N(C(=O)N(C4=O)C)C)C)C)N(C(=O)N(C2=O)C)C	51O	au(caffein-2-ylidene)2
C/C(=C/c1coc2c1c(nc(n2)N)N)/c3ccccc3OC	51P	5-[(1z)-2-(2-methoxyphenyl)prop-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine
C[C@@H](C(=O)O)SC1=NN=C(NC1=O)O	51Q	(2s)-2-[(3-hydroxy-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)sulfanyl]propanoic acid
c1cc(cc(c1)N)C(F)(F)F	51R	3-(trifluoromethyl)aniline
Cc1ccc(c(c1)C)N	51S	2,4-dimethylaniline
c1c(c(c(c(c1F)C[C@@H](C(=O)O)N)F)F)O	51T	2,3,6-trifluoro-l-tyrosine
Cc1cccc(c1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N	51U	d-phenylalanyl-n-(3-methylbenzyl)-l-prolinamide
Cc1ccccc1N	51V	2-methylaniline
c1cc(cc(c1)NC(=O)N2CCCC2)Nc3ncc(c(n3)NCCCN)I	51W	n-[3-({4-[(3-aminopropyl)amino]-5-iodopyrimidin-2-yl}amino)phenyl]pyrrolidine-1-carboxamide
c1ccc2c(c1)C(=O)N(C2=O)CC(=O)O	51X	(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)acetic acid
Cc1c(ccc(c1Cl)C#N)N[C@@H]2CCC[C@@]2(C)O	51Y	2-chloro-4-{[(1r,2r)-2-hydroxy-2-methylcyclopentyl]amino}-3-methylbenzonitrile
c1cc(ccc1c2ccc(cc2)S(=O)(=O)N)C(=O)c3ccc(cc3)N	520	4'-(4-aminobenzoyl)biphenyl-4-sulfonamide
c1ccc(cc1)c2c(c(cs2)N3CC(=O)NS3(=O)=O)Cl	521	5-(4-chloro-5-phenyl-3-thienyl)-1,2,5-thiadiazolidin-3-one 1,1-dioxide
Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)[C@H](C)OO)C)CCC(=O)O)C	522	peroxidized heme
CC1=C(NC(=O)[N+](=C1)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)N	523	2'-deoxy-5-methylcytidine 5'-(tetrahydrogen triphosphate)
CN(C)C(=O)[C@@H](C1CCC(CC1)c2cccc3n2ncn3)[C@@H](C(=O)N4CC[C@@H](C4)F)N	524	(2s,3s)-3-amino-4-[(3s)-3-fluoropyrrolidin-1-yl]-n,n-dimethyl-4-oxo-2-(trans-4-[1,2,4]triazolo[1,5-a]pyridin-5-ylcycloh exyl)butanamide
CC(C)(C)[C@H]1Cc2cc(ccc2S(=O)(=O)N(C1)C[C@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CCOC4)O)F	525	(3s)-tetrahydrofuran-3-yl {(2s,3r)-4-[(4r)-4-tert-butyl-7-fluoro-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3h)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate
CC(C)(C)[C@@H]1Cc2cc(ccc2S(=O)(=O)N(C1)C[C@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CCOC4)O)F	526	(3s)-tetrahydrofuran-3-yl {(2s,3r)-4-[(4s)-4-tert-butyl-7-fluoro-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3h)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate
c1ccc(cc1)CS(=O)(=O)N2CCC(CC2)Nc3cccc(c3)c4c(c(c(s4)C(=O)O)OCC(=O)O)Br	527	5-(3-{[1-(benzylsulfonyl)piperidin-4-yl]amino}phenyl)-4-bromo-3-(carboxymethoxy)thiophene-2-carboxylic acid
CC(C)[C@H](NS(=O)(=O)CCCc1ccccc1)[P@@](=O)(C[C@@H](c2cccc(c2)CN)C(=O)O)O	528	(2s)-2-[3-(aminomethyl)phenyl]-3-{(r)-hydroxy[(1r)-2-methyl-1-{[(3-phenylpropyl)sulfonyl]amino}propyl]phosphoryl}propanoic acid
C[C@@H](c1ccc(cc1)N2CCNC2=O)C(=O)/N=C/3\C=C(N=N3)C4CC4	529	(2s)-n-[(3z)-5-cyclopropyl-3h-pyrazol-3-ylidene]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide
C1[C@@H](NC[C@]1(C(=O)O)N)C(=O)O	52A	(2r,4r)-4-aminopyrrolidine-2,4-dicarboxylic acid
c1c(cc(c2c1C=C([C@H](O2)C(F)(F)F)C(=O)O)Cl)Cl	52B	(2s)-6,8-dichloro-2-(trifluoromethyl)-2h-chromene-3-carboxylic acid
c1ccc(c(c1)c2[nH]nnn2)Cl	52C	5-(2-chlorophenyl)-1h-tetrazole
c1cc(ccc1C(=O)c2ccncc2)OCCN3CCCC3	52D	pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone
CN([C@@H](C[C@H](CO)O)COC(=O)Nc1cc2ccccc2cn1)C(=O)NCc3cccc(c3Cl)F	52E	4-{[(2-chloro-3-fluorobenzyl)carbamoyl](methyl)amino}-3,4-dideoxy-5-o-(isoquinolin-3-ylcarbamoyl)-d-erythro-pentitol
c1ccc2c(c1)NC(=O)C(=N2)CCC(=O)O	52F	3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid
[H]/N=C(\CCNC(=O)c1csc(n1)[C@H]2CSC(=N2)CCNC(=O)[C@H](C(C)(C)O)NC(=O)[C@@H](C)[C@@H]([C@@H](CCO)NC(=O)[C@H]([C@H](c3c[nH]cn3)O[C@H]4[C@H]([C@H]([C@@H]([C@@H](O4)C)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)OC(=O)N)O)NC(=O)c6c(c(nc(n6)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)N)C)O)/N	52G	zorbamycin
CC(C)(C)[C@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O	52H	5'-o-{[(2r)-2-hydroxy-3,3-dimethylbutanoyl]sulfamoyl}adenosine
CC(C)C[C@@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N	52I	(2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1r)-1-(2-methylpropyl)phthalazin-2(1h)-yl]prop-2 -en-1-one
CC(C)C[C@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N	52J	(2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(2-methylpropyl)phthalazin-2(1h)-yl]prop-2-en-1-one
C[C@]1(COCC(=N1)N)c2cccc(c2)NC(=O)c3ccc(cn3)Cl	52K	n-{3-[(3r)-5-amino-3-methyl-3,6-dihydro-2h-1,4-oxazin-3-yl]phenyl}-5-chloropyridine-2-carboxamide
C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)/C(=N\O)/C(=O)O	52L	dahp oxime
c1cc(c(cc1NC(=O)S)C(=O)O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O	52M	2-(6-hydroxy-3-oxo-3h-xanthen-9-yl)-5-[(sulfanylcarbonyl)amino]benzoic acid
CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@H]([C@H]([C@H]([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC	52N	1,2-dioctanoyl phosphatidyl epi-inositol (3,4)-bisphosphate
CC(C)(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	52O	pivalyl-coenzyme a
c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl	52P	5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6h-pyrimido[1,6-b]pyridazin-6-one
c1[nH]nc(n1)S[C@@H]2C[C@]([C@H]3[C@@H]2[C@@H]3C(=O)O)(C(=O)O)N	52Q	(1r,2s,4r,5r,6r)-2-amino-4-(1h-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
Cn1ccc(n1)N(C)c2cnc(n3c2nnc3)NCc4c(ccc5c4CCO5)F	52R	n5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-n8-methyl-n8-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine-5,8-diamine
CC(C)NC(=O)O[C@@H]1CC[C@@](c2c1nnn2Cc3ccc(cc3)OC)(C)O	52T	(4r,7r)-7-hydroxy-1-(4-methoxybenzyl)-7-methyl-4,5,6,7-tetrahydro-1h-benzotriazol-4-yl propan-2-ylcarbamate
CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC	52U	(3as,4s,7ar)-hexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
Cc1cccc(c1c2cc(cc(c2)OC)[C@H](C)C#Cc3c(nc(nc3N)N)C)C	52V	5-[(3s)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2[C@H](CO3)O)O)S(=O)(=O)c4ccc(cc4)OC	52W	(3r,3as,4s,7as)-3-hydroxyhexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
CC(=O)NCCc1c2cc(ccc2[nH]c1I)NC(=O)OC	52X	methyl {3-[2-(acetylamino)ethyl]-2-iodo-1h-indol-5-yl}carbamate
COc1ccc(cc1)c2ccc(c(c2)F)N\3C(=O)CS/C3=C(/C#N)\C(=O)OC	52Y	methyl (2z)-cyano[3-(3-fluoro-4'-methoxybiphenyl-4-yl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CC(C)CN(C[C@H]([C@H](Cc1ccc(cc1)OC)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2[C@H](CO3)O)O)S(=O)(=O)c4ccc(cc4)OC	52Z	(3r,3as,4s,7as)-3-hydroxyhexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-3-hydroxy-1-(4-methoxyphenyl)-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate
c1cc(c(cc1F)F)Oc2ncc3c(n2)[nH]nc3NC4CCOCC4	530	6-(2,4-difluorophenoxy)-n-(tetrahydro-2h-pyran-4-yl)-1h-pyrazolo[3,4-d]pyrimidin-3-amine
CC(=O)[C@H]1CCCN(C1)Cc2ccccc2	531	1-[(3s)-1-benzylpiperidin-3-yl]ethanone
CN1C(=O)[C@](N=C1N)(c2cccc(c2)c3cccnc3)c4ccsc4	532	(5s)-2-amino-3-methyl-5-[3-(pyridin-3-yl)phenyl]-5-(thiophen-3-yl)-3,5-dihydro-4h-imidazol-4-one
C[C@H](Cn1ncnn1)Nc2ncc3c(n2)N(C(=O)C(=C3)Oc4ccc(cc4F)F)C	533	6-(2,4-difluorophenoxy)-8-methyl-2-{[(1r)-1-methyl-2-(2h-tetrazol-2-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one
CC(C)c1ccc(cc1)c2c(nccn2)N3CCN(CC3)S(=O)(=O)c4cccc(c4)c5cnc(nc5)N	534	5-{3-[(4-{3-[4-(1-methylethyl)phenyl]pyrazin-2-yl}piperazin-1-yl)sulfonyl]phenyl}pyrimidin-2-amine
CCOC(=O)c1c(n2ccnc2s1)C	535	ethyl 3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate
c1ccc(cc1)CN2CCCC(=C2)C(=O)N	536	1-benzyl-1,4,5,6-tetrahydropyridine-3-carboxamide
c1ccc2c(c1)-c3c4c(cccc4[nH]n3)C2=O	537	2,6-dihydroanthra/1,9-cd/pyrazol-6-one
CC[C@@H](c1ccccc1)NC(=O)c2ccc3c(c2)c(c(n3Cc4ccc(cc4)c5ccccc5C(=O)O)C)C	538	4'-[(2,3-dimethyl-5-{[(1s)-1-phenylpropyl]carbamoyl}-1h-indol-1-yl)methyl]biphenyl-2-carboxylic acid
c1cnccc1c2c3cc(c(cc3c(nn2)NC4CCCC4)Cl)Cl	539	6,7-dichloro-n-cyclopentyl-4-(pyridin-4-yl)phthalazin-1-amine
CCOC(=O)C1=C2N=C(c3ccccc3N2NN1)S[C@H](C(=O)C)C(=O)OCC	53A	ethyl 5-{[(1r)-1-(ethoxycarbonyl)-2-oxopropyl]sulfanyl}-1,2-dihydro[1,2,3]triazolo[1,5-a]quinazoline-3-carboxylate
c1cc(nc(c1)O)C(=O)O	53B	6-hydroxypyridine-2-carboxylic acid
CC(=O)c1cccc(c1)O	53C	1-(3-hydroxyphenyl)ethanone
CCN1CCN(CC1)c2cc3c(cc2F)C(=O)C(=CN3C4CC4)C(=O)NCCCN(C)C	53D	1-cyclopropyl-n-[3-(dimethylamino)propyl]-7-(4-ethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxamide
c1cc(c2c(c1)OCCO2)C(=O)O	53E	2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
CC(C)CN(C[C@H]([C@H](Cc1ccc(cc1)OC)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2[C@H](CO3)O)O)S(=O)(=O)c4ccc(cc4)N	53F	(3r,3as,4s,7as)-3-hydroxyhexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-(4-methoxyphenyl)butan-2-yl]carbamate
CN(C)C(=O)c1ccc2c(c1)nccn2	53G	n,n-dimethylquinoxaline-6-carboxamide
CC(C)(C)[C@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	53H	5'-o-[(3-methyl-d-valyl)sulfamoyl]adenosine
CC(=C[C@@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N)C	53I	(2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1r)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1h)-y l]prop-2-en-1-one
CC(=C[C@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N)C	53J	(2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1h)-y l]prop-2-en-1-one
Cc1ccccc1Oc2ccc(cc2O)Cn3cc(nn3)c4ccccc4	53K	2-(2-methylphenoxy)-5-[(4-phenyl-1h-1,2,3-triazol-1-yl)methyl]phenol
C[C@@H]1CN2c3ccc(cc3C[C@@]4([C@H]2[C@@H](O1)C)C(=O)NC(=O)N=C4O)N(=O)=O	53L	(2r,4s,4as,5s)-6'-hydroxy-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'h,6h-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4'(3'h)-dione
C[C@@H]1CN2c3ccc(cc3CC4([C@H]2[C@@H](O1)C)C(=NC(=O)N=C4O)O)[N+](=O)[O-]	53M	(2r,4s,4as)-4',6'-dihydroxy-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'h,6h-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidin]-2'-one
c1cc(cc(c1)[N+](=O)[O-])c2ccc(s2)CCC(=O)O	53N	3-[5-(3-nitrophenyl)thiophen-2-yl]propanoic acid
c1ccc(cc1)c2cccc(c2)n3ccnc3	53O	1-(biphenyl-3-yl)-1h-imidazole
C[C@@H]1c2cc(ccc2C(=O)N(Cc3c(c(n(n3)C)C#N)-c4cc(c(nc4)N)O1)C)F	53P	(10r)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2h-8,4-(metheno)pyrazolo(4,3-h)(2,5,11)benzoxadiazacyclotetradecine-3-carbonitrile
CCN(CC)CCOc1ccc(cc1)/C(=C(\c2ccccc2)/Cl)/c3ccccc3	53Q	clomifene
Cc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(cc(c2)OC)c3ccccc3	53R	5-[(3r)-3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
Cc1ccc(cc1)c2cc(cc(c2)OC)[C@@H](C)C#Cc3c(nc(nc3N)N)C	53S	5-[(3r)-3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
Cc1cc(cc(c1)c2cc(cc(c2)OC)[C@@H](C)C#Cc3c(nc(nc3N)N)C)C	53T	5-[(3r)-3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccccc3)N	53U	d-phenylalanyl-n-benzyl-l-prolinamide
Cc1cccc(c1c2cc(cc(c2)OC)[C@@H](C)C#Cc3c(nc(nc3N)N)C)C	53V	5-[(3r)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
Cc1c(c(on1)C)c2ccc3c(c2)nc(n3CCN4CCOCC4)CCc5ccc(cc5)OC	53W	5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]-1-[2-(morpholin-4-yl)ethyl]-1h-benzimidazole
CCn1cc(c2c1cccc2)c3cc(n(n3)C)C(=O)O	53X	3-(1-ethyl-1h-indol-3-yl)-1-methyl-1h-pyrazole-5-carboxylic acid
c1ccc-2c(c1)NC(=O)c3n2ccc3	53Y	pyrrolo[1,2-a]quinoxalin-4(5h)-one
c1cc(ccc1CNC(=O)NCC(=O)N2CCCC2)N	53Z	1-(4-aminobenzyl)-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea
Cc1cnccc1c2nc(c3n2c4cc(cc(c4nc3C)OC)F)C	540	8-fluoro-6-methoxy-3,4-dimethyl-1-(3-methylpyridin-4-yl)imidazo[1,5-a]quinoxaline
Cc1cc(c2ccccc2n1)COc3ccc(cc3)[C@@]4(CCN(C4=O)[C@H](C)C(=O)NO)C	541	(2r)-n-hydroxy-2-[(3s)-3-methyl-3-{4-[(2-methylquinolin-4-yl)methoxy]phenyl}-2-oxopyrrolidin-1-yl]propanamide
CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)\C=C\CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O)O	542	n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-methylaminopurin-9-yl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide
CC[O@@H][Ca+2]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2]	543	calcium ion, 6 waters plus ethanol coordinated
Cc1c(nc(o1)c2ccccc2)CCOc3ccc(cc3)C[C@@H](C(=O)O)N/C(=C\C(=O)c4ccccc4)/C	544	2-(1-methyl-3-oxo-3-phenyl-propylamino)-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid
CCCCOC(=O)[C@H]([C@H]1[C@@H]([C@@]([C@H](C[N@@]1O)O)(CO)O)O)NC(=O)[C@H](Cc2ccc(cc2)O)N	545	[2-amino-3-(4-hydroxy-phenyl)-propionylamino]-(1,3,4,5-tetrahydroxy-4-hydroxymethyl-piperidin-2-yl)- acetic acid butyl ester
Cc1ccncc1c2nc(c3n2c4c(ccc(n4)OC)nc3C)C	546	2-methoxy-6,7-dimethyl-9-(4-methylpyridin-3-yl)imidazo[1,5-a]pyrido[3,2-e]pyrazine
c1ccc(cc1)c2c3c(ccnc3oc2c4ccccc4)NCCN5CCNCC5	547	2,3-diphenyl-n-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine
Cc1cnccc1c2nc(c3n2c4cc(cc(c4nc3C)Cl)C(F)(F)F)C	548	6-chloro-3,4-dimethyl-1-(3-methylpyridin-4-yl)-8-(trifluoromethyl)imidazo[1,5-a]quinoxaline
CC(C)n1cnc2c1ccc(c2)C(=O)O	549	1-(propan-2-yl)-1h-benzimidazole-5-carboxylic acid
CCNC(=O)Nc1cc(c(cn1)c2cc(cnc2N3[C@@H]4CC[C@H]3CN(C4)C)C5=NNC(=O)O5)c6nc(cs6)C(F)(F)F	54B	1-ethyl-3-[5-[2-[(1s,5r)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-5-(2-oxidanylidene-3h-1,3,4-oxadiazol-5-yl)pyridin-3-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-2-yl]urea
CC(C)([C@@H]1CO1)n2cc(c3c2cccc3)[C@H]([C@@H](C(=O)O)N)O	54C	(betar)-beta-hydroxy-1-{2-[(2r)-oxiran-2-yl]propan-2-yl}-l-tryptophan
COC(=O)c1cccs1	54D	methyl thiophene-2-carboxylate
c1ccc(cc1)c2ccc(cc2Cl)CN	54E	1-(2-chlorobiphenyl-4-yl)methanamine
c1ccnc(c1)Oc2cccc(c2)N	54F	3-(pyridin-2-yloxy)aniline
Cc1ccc(c(c1)C(=O)O)O	54G	2-hydroxy-5-methylbenzoic acid
CC(C)[C@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	54H	5'-o-(d-valylsulfamoyl)adenosine
C(/C=N/O)C(=O)O	54I	(3e)-3-(hydroxyimino)propanoic acid
CCCS(=O)(=O)Nc1ccc(c(c1F)n2cc(c3c2ccc(n3)N(C)C4CCN(CC4)CC)c5cncnc5)F	54J	n-(3-{5-[(1-ethylpiperidin-4-yl)(methyl)amino]-3-(pyrimidin-5-yl)-1h-pyrrolo[3,2-b]pyridin-1-yl}-2,4-difluorophenyl)propane-1-sulfonamide
Cc1cnc(c2c1nc[nH]2)N	54K	7-methyl-3h-imidazo[4,5-c]pyridin-4-amine
C#CCCC(=O)O	54L	pent-4-ynoic acid
COc1ccc(cc1)[C@]2(CCC(=N2)N)c3cccc(c3)c4cncnc4	54M	(5r)-5-(4-methoxyphenyl)-5-(3-pyrimidin-5-ylphenyl)-3,4-dihydropyrrol-2-amine
Cc1c(ccc(n1)CN(C)C)c2cnc(c3c2C(=O)NN=C3)NCc4c(ccc5c4CCO5)F	54N	8-[6-[(dimethylamino)methyl]-2-methyl-pyridin-3-yl]-5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2h-pyrido[3,4-d]pyridazin-1-one
C(CO)CS(=O)(=O)O	54O	3-hydroxypropane-1-sulfonic acid
c1ccc(cc1)c2ccc(cc2Cl)CNCCCO	54P	3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propan-1-ol
C[C@@H]1CN2c3ccc(cc3CC4([C@H]2[C@@H](O1)C)C(=O)NC(=O)NC4=O)[N+](=O)[O-]	54Q	(2r,4s,4as)-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'h,6h-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'h,3'h)-trione
CC(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2	54R	n-(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)acetamide
c1ccc(cc1)c2ccc(cc2Cl)CNCCC(=O)NCCC(=O)Nc3cccc(c3)C(=O)O	54S	n-[(2-chlorobiphenyl-4-yl)methyl]-beta-alanyl-n-(3-carboxyphenyl)-beta-alaninamide
c1cc2c(cc1Cl)sc(n2)N	54T	6-chloro-1,3-benzothiazol-2-amine
CC(=O)N1CCN(CC1)c2ccc(cc2)O	54U	1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone
CN1CCN(CC1)Cc2ccc(cc2)C(=O)OC	54V	methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate
CC(=O)NCCc1ccccc1	54W	n-(2-phenylethyl)acetamide
c1cc(sc1)c2csc3c2C(=O)N=CN3	54X	5-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4(1h)-one
CNC(=O)c1cnn(c1Cl)C	54Y	5-chloro-n,1-dimethyl-1h-pyrazole-4-carboxamide
c1cc(c(cc1CN)Cl)OC(F)(F)F	54Z	1-[3-chloro-4-(trifluoromethoxy)phenyl]methanamine
Cc1cc(c2ccccc2n1)COc3ccc(cc3)C[C@@]4(C[C@@H]4C(=O)NO)C(=O)OC	550	methyl (1r,2s)-2-(hydroxycarbamoyl)-1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate
COC(=O)CC(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2	551	methyl 3-[(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)amino]-3-oxopropanoate
c1cc(ccc1COC2=NC(=C3C=C[C@H](N3C2=O)C(=O)N4CCCC4)Cl)F	552	(6s)-1-chloro-3-[(4-fluorobenzyl)oxy]-6-(pyrrolidin-1-ylcarbonyl)pyrrolo[1,2-a]pyrazin-4(6h)-one
c1cnc(nc1c2cc3c([nH]2)[C@H](CNC3=O)CCF)N	553	(7s)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one
C1CN([C@@H]1C(=O)O)CC[C@@H](C(=O)O)NCC[C@@H](C(=O)O)O	554	(2~{s})-1-[(3~{s})-3-[[(3~{s})-3,4-bis(oxidanyl)-4-oxidanylidene-butyl]amino]-4-oxidanyl-4-oxidanylidene-butyl]azetidine-2-carboxylic acid
c1ccc2c(c1)c(ccc2c3ccc(cc3)O)\C=N\O	555	4-(4-hydroxyphenyl)-1-naphthaldehyde oxime
c1cc(sc1)c2cnc3n2CCC3	556	3-(thiophen-2-yl)-6,7-dihydro-5h-pyrrolo[1,2-a]imidazole
C[C@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)n2cc(c(n2)C(F)(F)F)CO	557	n-[(2s)-2-{4-[4-(hydroxymethyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]phenyl}propyl]propane-2-sulfonamide
Cc1nnc2n1-c3ccc(cc3N(C[C@H]2C)c4ccc(cc4)Cl)c5ccc(nc5)N	558	5-[(4r)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4h-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-8-yl]pyridin-2-amine
Cc1nnc2n1-c3ccc(cc3N(C[C@@H]2C)c4ccc(cc4)Cl)c5ccc(nc5)N	559	5-[(4s)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4h-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-8-yl]pyridin-2-amine
CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C)O)S(=O)(=O)c2ccc3c(c2)scn3	55A	n~2~-acetyl-n-[(2s,3r)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2s)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-l-leucinamide
COc1cc(cc(c1O)OC)/C=C/CO	55B	4-[(1e)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenol
C/C(=C\C(=O)Nc1ccccc1C(=O)O)/c2ccc3ccccc3c2	55C	2-{[(2e)-3-(naphthalen-2-yl)but-2-enoyl]amino}benzoic acid
CCCC(=O)Nc1c(ccs1)C(=O)N	55D	2-(butanoylamino)thiophene-3-carboxamide
Cc1cc(ccc1O)C2=NC(=O)N=C(C2)c3ccccc3	55E	4-(4-hydroxy-3-methylphenyl)-6-phenylpyrimidin-2(5h)-one
Cc1c(ccc(n1)c2c([nH]c(n2)NC(=O)C)c3ccc4c(c3)nccn4)F	55F	n-[4-(5-fluoro-6-methylpyridin-2-yl)-5-quinoxalin-6-yl-1h-imidazol-2-yl]acetamide
c1ccc(cc1)C2=CC(=O)Nc3c2c([nH]n3)c4cnc(s4)c5cccnc5	55G	4-phenyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6h-pyrazolo[3,4-b]pyridin-6-one
c1cc(cnc1)c2ncc(s2)c3c4c(n[nH]3)NC(=O)C=C4	55H	3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6h-pyrazolo[3,4-b]pyridin-6-one
c1cc(ccc1C[C@@H](C(=O)O)N)C(F)(F)F	55I	4-(trifluoromethyl)-l-phenylalanine
Cn1c2ccc(cc2nc1Nc3ccc(cc3)C(F)(F)F)Oc4ccnc(c4)c5[nH]c(cn5)C(F)(F)F	55J	1-methyl-5-({2-[5-(trifluoromethyl)-1h-imidazol-2-yl]pyridin-4-yl}oxy)-n-[4-(trifluoromethyl)phenyl]-1h-benzimidazol-2-amine
CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)NCC4(CCCC4)C(=O)O	55K	1-({[(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}methyl)cyclopentanecarboxylic acid
c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)C[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N	55L	(r)-4-(((s)-1-(((s)-1-amino-4-carboxy-1-oxobutan-2-yl)amino)-4-carboxy-1-oxobutan-2-yl)amino)-3-((3-(3'-chloro-[1,1'-biphenyl]-4-yl)isoxazol-5-yl)methyl)-4-oxobutanoate
C[C@H]([C@@H]1CC(=O)NC1)Oc2c3c(cc(n2)c4ccc(c(c4)OC)OC)ncs3	55M	(4r)-4-[(1r)-1-{[6-(3,4-dimethoxyphenyl)[1,3]thiazolo[5,4-c]pyridin-4-yl]oxy}ethyl]pyrrolidin-2-one
CC(C)[C@@H](C[C@H](C(=O)O)OC(=O)C)NC	55N	(2r,4r)-2-(acetyloxy)-5-methyl-4-(methylamino)hexanoic acid
C[C@H](C[C@H](Cc1ccccc1)N)C(=O)O	55P	(2r,4r)-4-amino-2-methyl-5-phenylpentanoic acid
CC[C@@H](C)[C@H](C(=O)N(C)[C@H](C[C@H](c1nc(cs1)C(=O)N[C@@H](Cc2ccccc2)C[C@@H](C)C(=O)O)OC(=O)C)C(C)C)NC(=O)[C@@H]3CCCCN3C	55Q	(2r,4r)-4-{[(2-{(1r,3r)-1-(acetyloxy)-4-methyl-3-[methyl(n-{[(2s)-1-methylpiperidin-2-yl]carbonyl}-d-isoleucyl)amino]pentyl}-1,3-thiazol-4-yl)carbonyl]amino}-2-methyl-5-phenylpentanoic acid
c1ccc(c(c1)C(=O)O)NN=C2C=CC(=O)C=C2	55R	2-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzoic acid
CCS(=O)(=O)c1ccc(cc1)Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3	55S	6-(cyclohexylmethoxy)-n-[4-(ethylsulfonyl)phenyl]-9h-purin-2-amine
CC(=O)Nc1cccc(c1)[C@@H](OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)P(=O)(O)O	55T	5'-o-[(r)-[(s)-[3-(acetylamino)phenyl](phosphono)methoxy](hydroxy)phosphoryl]cytidine
CN(C)c1ccc(cc1)c2cc3c(cccn3)c(n2)NCCCN	55U	n-{7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl}propane-1,3-diamine
Cc1c(c(nc(n1)N)N)C#CC(C)(C)c2cc(c(c(c2)OC)OC)OC	55V	6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine
Cc1ccc(c(c1)C)[P@](=O)(Nc2c(cn(n2)c3ccc(cc3)c4cc5nc(cc(n5n4)N)C)C(=O)O)OC	55W	1-[4-(7-amino-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)phenyl]-3-{[(r)-(2,4-dimethylphenyl)(methoxy)phosphoryl]amino}-1h-pyrazole-4-carboxylic acid
C[C@H](CCC[C@H](C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)[C@H]4CC[C@@H]5[C@@]4(CC[C@H]6[C@H]5CCC7=CC(=O)CC[C@]67C)C	55X	s-{1-[5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,7-dihydroxy-6,6-dimethyl-3-oxido-8,12 -dioxo-2,4-dioxa-9,13-diaza-3lambda~5~-phosphapentadecan-15-yl} (2s,6r)-6-[(8s,9s,10r,13r,14s,17r)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta [a]phenanthren-17-yl]-2-methylheptanethioate (non-preferred name)
C[C@H]([C@H]1CNC(=O)O1)Oc2cc(cc3c2csn3)c4cnn(c4)C	55Y	(5r)-5-[(1r)-1-{[6-(1-methyl-1h-pyrazol-4-yl)-2,1-benzothiazol-4-yl]oxy}ethyl]-1,3-oxazolidin-2-one
CC(C)(C)NC(=O)c1c(c2c(nc(nc2s1)SC)c3cccc(c3)NC(=O)CN4CCOCC4)N	55Z	5-azanyl-n-tert-butyl-2-methylsulfanyl-4-[3-(2-morpholin-4-ylethanoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CCc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(c3c(c2)OCO3)c4ccc(cc4)CN	560	5-[(3r)-3-{7-[4-(aminomethyl)phenyl]-2h-1,3-benzodioxol-5-yl}but-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine
c1ccc2c(c1)cccc2NC(=O)CCC[N@]3C[C@H](NN3)c4coc5c4cc(c(c5)O)C(=O)O	561	6-hydroxy-3-{(4r)-1-[4-(1-naphthylamino)-4-oxobutyl]-1,2,3-triazolidin-4-yl}-1-benzofuran-5-carboxylic acid
[H]/N=C(/NCCC[C@@H](C(=O)O)N)\NCCOCCOCCN=[N+]=N	562	n~5~-[n-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethyl)carbamimidoyl]-l-ornithine
Cc1cc(n[nH]1)Nc2cc(nc(n2)Oc3ccc(cc3)NC(=O)C=C)N4CCN(CC4)C	563	n-[4-({4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1h-pyrazol-3-yl)amino]pyrimidin-2-yl}oxy)phenyl]prop-2-enamide
CC1(CCC(c2c1ccc(c2)C(=O)c3ccc4cc(ccc4c3)C(=O)O)(C)C)C	564	6-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphtalene-2-carbonyl)-naphtalene-2-carboxylic acid
C[C@@H]1C(=O)NCCCN1C(=O)C[C@@H](Cc2cc(c(cc2F)F)F)N	565	(3r)-4-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-methyl-1,4-diazepan-2-one
c1ccc(cc1)NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3	566	(3s)-1-cyclohexyl-5-oxo-n-phenylpyrrolidine-3-carboxamide
[H]/N=C(/c1ccc(cc1)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](Cc2c[nH]c3c2cccc3)NS(=O)(=O)CC(=O)O)\N	567	2-[[(2r)-1-[[(2s)-5-amino-1-[(4-carbamimidoylphenyl)methylamino]-1,5-dioxo-pentan-2-yl]amino]-3-(1h-indol-3-yl)-1-oxo-propan-2-yl]sulfamoyl]ethanoic acid
c1ccc(cc1)CO[C@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)OCc4ccccc4)O)O)C(=O)N[C@H]5C[C@H](OC5)CO	568	n,n-[2,5-o-dibenzyl-glucaryl]-di-[1-amino-indan-2-ol]
CN1C(=O)[C@@](N=C1N)(c2ccc(cc2)OC(F)(F)F)c3ccc(c(c3)c4cncnc4)F	569	(5r)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4h-imidazol-4-one
c1ccc(cc1)CCCCCCCCn2cncc2C[C@@H](C(=O)O)N	56A	3-(8-phenyloctyl)-l-histidine
c1c(c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N)CN[C@H]4C=C[C@@H]([C@@H]4O)O	56B	2-amino-5-({[(1s,4s,5r)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-7-(5-o-phosphono-beta-d-ribofuranosyl)-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
[H]/N=C(\NCCC[C@@H](C(=O)O)N)/NCCOCCOCCOCCN=[N+]=N	56C	n~5~-{n-[2-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethoxy)ethyl]carbamimidoyl}-l-ornithine
C[C@H](c1ccccc1)C(=O)C(=O)O	56D	(3r)-2-oxo-3-phenylbutanoic acid
CCOC(=O)CNC(=O)c1cc(sc1)C	56E	ethyl n-[(5-methylthiophen-3-yl)carbonyl]glycinate
CNS(=O)(=O)Cc1ccc(cc1)Cl	56F	1-(4-chlorophenyl)-n-methylmethanesulfonamide
Cc1cc(n[nH]1)Nc2cc(nc(n2)Oc3cccc(c3)NC(=O)C=C)N4CCN(CC4)C	56G	n-[3-({4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1h-pyrazol-3-yl)amino]pyrimidin-2-yl}oxy)phenyl]prop-2-enamide
CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3	56H	n-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)piperidine-4-carboxamide
C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)NS(=O)(=O)O	56I	[(1r,2r,3r,4r,5s)-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclohexyl]sulfamic acid
c1ccc2c(c1)-c3ccccc3C2CCC=O	56J	3-(9h-fluoren-9-yl)propanal
Cc1nc(cs1)c2cccc(c2)N	56K	3-(2-methyl-1,3-thiazol-4-yl)aniline
CC(C)C1C(=O)NC(=S)NC1=O	56L	5-(propan-2-yl)-2-thioxodihydropyrimidine-4,6(1h,5h)-dione
CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)c2c(c(c([nH]2)C)C(=O)C)C)O	56M	4-acetyl-n-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3,5-dimethyl-1h-pyrrole-2-carboxamide
c1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O	56N	phenyl beta-d-galactopyranoside
c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)C[C@H](CC(=O)NO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N	56O	n-[(2r)-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}-4-(hydroxyamino)-4-oxobutanoyl]-l-alpha-glutamyl-l-alpha-glutamine
Cc1cc(ccc1F)S(=O)(=O)N(CCCCCCN)[C@H](C)C(=O)NO	56P	n~2~-(6-aminohexyl)-n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-d-alaninamide
Cc1cc(ccc1F)S(=O)(=O)N(C)[C@H](C)C(=O)NO	56Q	n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-n~2~-methyl-d-alaninamide
Cc1cc(ccc1F)S(=O)(=O)N(Cc2cccc(c2)CN)[C@H](C)C(=O)NO	56R	n~2~-[3-(aminomethyl)benzyl]-n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-d-alaninamide
CCCCCCCCCCCC(=O)OC(C)C	56S	propan-2-yl dodecanoate
c1cc(oc1)CCN	56T	2-(furan-2-yl)ethanamine
c1ccc2c(c1)[nH]c(n2)C(F)F	56U	2-(difluoromethyl)-1h-benzimidazole
c1ccc2c(c1)nc3n2[C@@H](CS3)O	56V	(3r)-2,3-dihydro[1,3]thiazolo[3,2-a]benzimidazol-3-ol
CC(=O)N[C@H](CCP(=O)(C[C@H](CCC[C@H](C(=O)O)N)C(=O)O)O)C(=O)O	56W	(2r,6r)-2-{[(r)-[(3r)-3-(acetylamino)-3-carboxypropyl](hydroxy)phosphoryl]methyl}-6-aminoheptanedioic acid
C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SCC(=O)OC(C)C)C(=O)O)[C@@H](C)O	56X	(4r,5s,6s)-6-((r)-1-hydroxyethyl)-3-((2-isopropoxy-2-oxoethyl)thio)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CCc1c(c([nH]c1C(=O)N(C)Cc2cccc(c2)C(=O)N)C)C(=O)C	56Y	4-acetyl-n-(3-carbamoylbenzyl)-3-ethyl-n,5-dimethyl-1h-pyrrole-2-carboxamide
COc1ccc(cc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N	56Z	4-{[4-amino-5-(4-methoxybenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
Cc1c(nc(o1)c2ccccc2)CCOc3ccc(cc3)C[C@@H](C(=O)O)Nc4ccccc4C(=O)c5ccccc5	570	2-(2-benzoyl-phenylamino)-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid
CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)C[N+](=C4)C(=O)[C@@H](c5ccccc5)O	571	5-[(2r)-2-hydroxy-2-phenylacetyl]-3-({[4-(4-methylpiperazin-1-yl)phenyl]carbonyl}amino)-1,6-dihydropyrrolo[3,4-c]pyrazol-5-ium 
CN(C)S(=O)(=O)N1CCN(CC1)c2ccnc(n2)CO	572	4-[2-(hydroxymethyl)pyrimidin-4-yl]-n,n-dimethylpiperazine-1-sulfonamide
C[C@@H](CONC(=O)c1c(c2cncc(c2o1)F)Nc3ccc(cc3F)I)O	573	7-fluoro-3-[(2-fluoro-4-iodophenyl)amino]-n-{[(2s)-2-hydroxypropyl]oxy}furo[3,2-c]pyridine-2-carboxamide
B1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)n3cnc4c3ncnc4N)COP(=O)(O)O)c5ccccc5[C@@H](CN)O	574	[(3as,4r,6r,6ar)-2-{2-[(1s)-2-amino-1-hydroxyethyl]phenyl}-6-(6-amino-9h-purin-9-yl)tetrahydrofuro[3,4-d][1,3,2]dioxaborol-4-yl]methyl dihydrogen phosphite
c1cc(ccc1CN2CCCC2)N\C=C/3\c4cc(ccc4C(=O)NC3=O)Br	575	(4z)-6-bromo-4-({[4-(pyrrolidin-1-ylmethyl)phenyl]amino}methylidene)isoquinoline-1,3(2h,4h)-dione
c1ccc-2c(c1)Cc3c2ccc(c3)CC[C@@H](CC(=O)O)O	576	(3s)-5-(9h-fluoren-2-yl)-3-hydroxypentanoic acid
CS(=O)c1ccc(cc1)c2[nH]c(c(n2)c3ccc(cc3)F)c4ccncc4	577	4-[5-(4-fluoro-phenyl)-2-[4-methanesulfinyl-phenyl]-3h-imidazol-4-yl]-pyridine
CC(C)[C@H](NC(=O)OCc1ccccc1)[P@](=O)(O)O[C@@H](c2cccc(c2)CN)C(=O)O	578	(5r,6s,8s)-8-[3-(aminomethyl)phenyl]-6-hydroxy-5-isopropyl-3-oxo-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide
CCc1c(c([nH]c1C(=O)Nc2ccc(c(c2)S(=O)(=O)N3CCOCC3)F)C)C(=O)C	579	4-acetyl-3-ethyl-n-[4-fluoro-3-(morpholin-4-ylsulfonyl)phenyl]-5-methyl-1h-pyrrole-2-carboxamide
CCCc1c(c([nH]c1C(=O)Nc2cccc(c2)S(=O)(=O)N3CCCCCC3)C)C(=O)C	57C	4-acetyl-n-[3-(azepan-1-ylsulfonyl)phenyl]-5-methyl-3-propyl-1h-pyrrole-2-carboxamide
c1ccc(cc1)C2=CC(=O)c3c(cc(cc3O2)O)O	57D	chrysin
CCc1c(c([nH]c1C(=O)n2ccc3c2cc(cc3)S(=O)(=O)NC)C)C(=O)C	57E	1-[(4-acetyl-3-ethyl-5-methyl-1h-pyrrol-2-yl)carbonyl]-n-methyl-1h-indole-6-sulfonamide
CCc1c(c([nH]c1C(=O)Nc2cc(c(cc2O)C)S(=O)(=O)N(CC)CC)C)C(=O)C	57F	4-acetyl-n-[5-(diethylsulfamoyl)-2-hydroxy-4-methylphenyl]-3-ethyl-5-methyl-1h-pyrrole-2-carboxamide
CCc1c(c([nH]c1C(=O)Nc2cc(ccc2O)S(=O)(=O)N(CC)CC)C)C(=O)CO	57G	n-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-4-(hydroxyacetyl)-5-methyl-1h-pyrrole-2-carboxamide
C=CCP(=O)(O)O	57H	prop-2-en-1-ylphosphonic acid
Cc1ccc(cc1)C(=O)O[C@H]2[C@H]([C@H](O[C@H]([C@H]2OC(=O)c3ccccc3[N+](=O)[O-])OC)CO)O	57I	methyl 3-o-(4-methylbenzoyl)-2-o-(2-nitrobenzoyl)-beta-d-talopyranoside
Cc1cc(cc2c1[nH]nc2)C(=O)N3CCC4(CC3)CC(=O)c5cc(c(cc5O4)C)C	57J	6,7-dimethyl-1'-[(7-methyl-1h-indazol-5-yl)carbonyl]spiro[chromene-2,4'-piperidin]-4(3h)-one
Cc1cc(cc2c1[nH]nc2)C(=O)N3CCC4(CC3)CN(C4)C(=O)OC(C)(C)C	57K	tert-butyl 7-[(7-methyl-1h-indazol-5-yl)carbonyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate
Cc1cc(cc2c1[nH]nc2)C(=O)N3CCC4(CC3)CCN([C@H]4C)C(=O)OCC(C)(C)C	57L	2,2-dimethylpropyl (1s)-1-methyl-8-[(7-methyl-1h-indazol-5-yl)carbonyl]-2,8-diazaspiro[4.5]decane-2-carboxylate
CC(C)C[C@@H](C(=O)NCCCN[C@@H]([C@@H]([C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)O[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)O)C(=O)O)NC(=O)[C@H]([C@@H]4CCN=C(N4)N)NC(=O)N[C@@H](C(C)C)C(=O)O	57M	muraymycin d2
c1ccc(cc1)[C@H](C(=O)Nc2nccs2)N3Cc4ccccc4C3=O	57N	(2r)-2-(1-oxo-1,3-dihydro-2h-isoindol-2-yl)-2-phenyl-n-(1,3-thiazol-2-yl)acetamide
Cc1c(nc(c(c1O)C)O)CC(=O)O	57O	(4,6-dihydroxy-3,5-dimethylpyridin-2-yl)acetic acid
c1ccc(cc1)c2c3cc(ccc3n(c2c4ccccc4)CCC(=O)O)C5CC5	57P	3-(5-cyclopropyl-2,3-diphenyl-1h-indol-1-yl)propanoic acid
c1ccc(cc1)c2cc3ccccc3n2CCC(=O)O	57Q	3-(2-phenyl-1h-indol-1-yl)propanoic acid
CC(C)NC(=O)O[C@H]1CC[C@@](c2c1nnn2Cc3ccc(cc3)OC)(C)O	57R	(4s,7r)-7-hydroxy-1-(4-methoxybenzyl)-7-methyl-4,5,6,7-tetrahydro-1h-benzotriazol-4-yl propan-2-ylcarbamate
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H](COP(=O)(O)O)[C@H]([C@H](CO)O)O)CO)O)O	57S	4-o-[2-acetamido-2-deoxy-beta-d-glucopyranosyl]-5-o-phosphono-d-ribitol
c1cc(ccc1/C=C(\C(=O)O)/SS/C(=C\c2ccc(cc2)I)/C(=O)O)I	57T	(2e,2'z)-2,2'-disulfanediylbis[3-(4-iodophenyl)prop-2-enoic acid]
CCNC(=O)Nc1nc(c(s1)c2ccc[nH]2)CO	57U	1-ethyl-3-[4-(hydroxymethyl)-5-(1h-pyrrol-2-yl)-1,3-thiazol-2-yl]urea
CCNC(=O)Nc1nc(c(s1)c2ccc[nH]2)/C=C/c3cccnc3	57V	1-ethyl-3-{4-[(e)-2-(pyridin-3-yl)ethenyl]-5-(1h-pyrrol-2-yl)-1,3-thiazol-2-yl}urea
CCNC(=O)Nc1cn(c2c1ncc(c2)c3cccnc3)c4ccccn4	57W	1-ethyl-3-[1-(pyridin-2-yl)-6-(pyridin-3-yl)-1h-pyrrolo[3,2-b]pyridin-3-yl]urea
CCCN1c2c(c(n[nH]2)c3cnc(s3)c4cccnc4)C=CC1=O	57X	7-propyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-1,7-dihydro-6h-pyrazolo[3,4-b]pyridin-6-one
CCCc1c(ccc2c1n[nH]c2c3cnc(s3)c4cc(c(nc4)C(=O)O)O)O	57Y	3-hydroxy-5-[5-(6-hydroxy-7-propyl-2h-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid
Cc1cc(c2c(c1)C=C(C(=O)N2)CN(CCO)C(=S)Nc3ccc(cc3)O)C	57Z	1-[(6,8-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(4-hydroxyphenyl)thiourea
Cc1cccc(n1)c2c(c3n(n2)CCC3)c4ccc(cc4)F	580	3-(4-fluorophenyl)-2-(6-methylpyridin-2-yl)-5,6-dihydro-4h-pyrrolo[1,2-b]pyrazole
CC(=O)Nc1cccc(c1)C2=NC(=C(C(=O)N2)O)C(=O)O	581	2-[3-(acetylamino)phenyl]-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid
CCN1c2ccccc2-c3c(c(n[nH]3)C)C1=O	582	5-ethyl-3-methyl-1,5-dihydro-4h-pyrazolo[4,3-c]quinolin-4-one
c1cc(ccc1c2c[nH]nc2c3ccc(cc3)O)O	583	4,4'-(1h-pyrazole-3,4-diyl)diphenol
C[C@@H]1C(=O)N(c2cnc(nc2N1CCC(C)C)Nc3cc(c(c(c3)F)O)F)C	584	(7r)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5h)-one
CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C	585	6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-2h-pyrido[3,2-b][1,4]oxazin-3(4h)-one
CC(C)[C@@H](C(=O)NCc1ccccc1)NC(=O)[C@@H](C[C@@H]([C@H](COc2cc(cc(c2)F)F)NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N[C@H](C)c4ccccc4)O)OC	586	n-[4-(1-benzylcarbamoyl-2-methyl-propylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-4-methoxy-butyl]-5-(methanes ulfonyl-methyl-amino)-n'-(1-phenylethyl)-isophthalamide
CC[C@@H]1C=C([C@H]([C@@H](C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)Oc5ccc6c(c5)ccn6C)/C)O)C)OC)OC)C)O)C	587	c32-o-(1-methyl-indol-5-yl) 18-hydroxy-ascomycin
CCCCCNC(=O)[C@H](Cc1ccc(c(c1)\C=C\C(=O)N)N(c2ccccc2C(=O)O)C(=O)C(=O)O)NS(=O)(=O)C	588	2-{[2-(2-carbamoyl-vinyl)-4-(2-methanesulfonylamino-2-pentylcarbamoyl-ethyl)-phenyl]-oxalyl-amino}-benzoic acid
c1ccc2cc(ccc2c1)N3C(=NN(C3=O)C4CCOCC4)c5ccnc(c5)NC6CCCCC6	589	5-[2-(cyclohexylamino)pyridin-4-yl]-4-naphthalen-2-yl-2-(tetrahydro-2h-pyran-4-yl)-2,4-dihydro-3h-1,2,4-triazol-3-one
CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCCCCCCC=CCCCCCCCC	58A	5'-o-[(r)-{[(s)-{(2r)-2,3-bis[(9e)-octadec-9-enoyloxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine
C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)N)N	58B	l-alanyl-d-alpha-glutamine
c1cc2cnc(nc2c(c1)OC3CCC(CC3)O)Nc4ccc5c(c4)nc[nH]5	58C	cis-4-{[2-(1h-benzimidazol-5-ylamino)quinazolin-8-yl]oxy}cyclohexanol
CN1[C@H](C(=O)Nc2ccccc2C1=O)Cc3ccc(cc3)OC	58D	(3s)-3-(4-methoxybenzyl)-4-methyl-3,4-dihydro-1h-1,4-benzodiazepine-2,5-dione
C[C@H]1[C@@H]2CCc3c(n(nc3[C@]2(CC(=C1O)C#N)C)C)c4cccnc4	58E	(5as,6s,9as)-7-hydroxy-2,6,9a-trimethyl-3-(pyridin-3-yl)-4,5,5a,6,9,9a-hexahydro-2h-benzo[g]indazole-8-carbonitrile
CN1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc5c(c4)[nH]c(n5)c6ccc(cc6)I	58F	p-iodo hoechst
c1ccc(cc1)[C@H]2CC[C@H](C2)Nc3ccc(cn3)C(=O)N	58G	6-{[(1r,3s)-3-phenylcyclopentyl]amino}pyridine-3-carboxamide
COC(=O)C1=C(NC(=NC1c2ccc(cc2Cl)F)c3ccccn3)CN4CCC(CC4)C(C#C)(C#C)O	58H	methyl (4r)-4-(2-chloro-4-fluorophenyl)-6-{[4-(3-hydroxypenta-1,4-diyn-3-yl)piperidin-1-yl]methyl}-2-(pyridin-2-yl)-1,4-dihydropyrimidine-5-carboxylate
C(CC[NH3+])C[NH3+]	58I	4-azaniumylbutylazanium
CN1/C(=C\c2ccc(cc2)OC)/C(=O)Nc3ccccc3C1=O	58J	4-methoxydehydrocyclopeptin
CN1[C@H](C(=O)Nc2ccccc2C1=O)Cc3ccccc3	58K	cyclopeptin
c1ccc(cc1)C[C@H]2C(=O)Nc3ccccc3C(=O)N2	58L	demethylated cyclopeptin
C[C@@H]1CC(=O)Nc2cccc(c2N1)c3cnn(c3)C(C)(C)C	58N	(4r)-6-(1-tert-butyl-1h-pyrazol-4-yl)-4-methyl-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one
COc1cc2c(cc1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)cc([nH]2)C#N	58O	6-methoxy-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile
c1cc2c(cc1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)cc(n2C[C@@H](CO)O)C#N	58P	1-[(2s)-2,3-dihydroxypropyl]-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1 h-indole-2-carbonitrile
Cc1c2cc(n(c2cc(c1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)OC)Cc6c[nH]nc6)C#N	58Q	6-methoxy-4-methyl-1-(1h-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile
c1cc2c(cc1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)cc(n2CC(=O)N)C#N	58R	2-{2-cyano-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indol-1-yl}aceta mide
CNc1c2c3nc(n1)OCCOCCOc4cccc(c4)CN3C(=O)N2	58T	13-(methylamino)-23,24,25-trioxa-17,18,19,21-tetrazatetracyclo-tricosa-1(3),2(10),4(11),12(14),13(18),16(19)-hexan-15-one
C[C@@H](CC(=O)C(=O)O)C(=O)CC=O	58U	(4s)-4-methyl-2,5,7-trioxoheptanoic acid
c1cc(c(cc1Nc2c3ncc(n3cc(n2)C4CC4)c5c[nH]nc5)Cl)C(=O)N6CCOCC6	58V	(2-chloro-4-{[6-cyclopropyl-3-(1h-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}phenyl)(morpholin-4-yl)methanone
c1ccc(cc1)C2(CCC2)C(=O)Nc3cc(c(cc3O)O)Cl	58W	n-(5-chloro-2,4-dihydroxyphenyl)-1-phenylcyclobutanecarboxamide
CC(=CCC/C(=C/C(=O)O)/C)C	58X	(2e)-3,7-dimethylocta-2,6-dienoic acid
C[C@@H]1N[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2S1)CO)O)O	58Y	(2r,3ar,5r,6r,7r,7ar)-5-(hydroxymethyl)-2-methylhexahydro-3ah-pyrano[3,2-d][1,3]thiazole-6,7-diol
c1cc2c(cc[nH]2)cc1OCCN3CCC(CC3)C(=O)O	58Z	1-[2-(1h-indol-5-yloxy)ethyl]piperidine-4-carboxylic acid
c1nc(c2c(n1)n(cn2)[C@H]3C([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)N=[N+]=[N-])N	590	9-[2-azido-2-deoxy-5-o-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)-beta-d-arabinofuranosyl]-9h-purin-6-amine
CCn1cc(cn1)[C@]2(C(=O)N(C(=N2)N)C)c3cccc(c3)c4cncnc4	591	(5s)-2-amino-5-(1-ethyl-1h-pyrazol-4-yl)-3-methyl-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4h-imidazol-4-one
Cc1c(cccc1OC)C(=O)NC2C[C@H]3CC[C@@H](C2)N3c4ccc(cn4)C(=O)NCc5ccccc5	592	n-benzyl-6-[(3-endo)-3-{[(3-methoxy-2-methylphenyl)carbonyl]amino}-8-azabicyclo[3.2.1]oct-8-yl]pyridine-3-carboxamide
CN1C(=O)[C@@](N=C1N)(c2ccccc2)C34CC5CC(C3)CC(C5)C4	593	(5s)-2-amino-3-methyl-5-phenyl-5-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]-3,5-dihydro-4h-imidazol-4-one
c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)F)N	594	9-[2-deoxy-2-fluoro-5-o-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)-beta-d-arabinofuranosyl]-9h-purin-6-amine
C[C@@H](CCC[C@@H](C=O)[N@@](CCC(C)C)S(=O)(=O)c1ccc(cc1)N)NC(=O)[C@H](C(c2ccccc2)c3ccccc3)NC(=O)OC	595	n-[(1s,5s)-5-{[(4-aminophenyl)sulfonyl](3-methylbutyl)amino}-1-methyl-6-oxohexyl]-nalpha-(methoxycarbonyl)-beta-phenyl-l-phenylalaninamide
COc1ccc2c(c1CN3CCNCC3)O/C(=C\c4c5ccccc5[nH]n4)/C2=O	596	(2z)-2-(1h-indazol-3-ylmethylidene)-6-methoxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3(2h)-one
c1ccc(cc1)CS(=O)(=O)N2CCC(CC2)Nc3ccc4c(c3)sc5c4sc(c5OCC(=O)O)C(=O)O	598	6-{[1-(benzylsulfonyl)piperidin-4-yl]amino}-3-(carboxymethoxy)thieno[3,2-b][1]benzothiophene-2-carboxylic acid
c1cc(ccc1C#Cc2cc(ccc2Cl)c3c4c(n(n3)CCCN5CCOCC5)CCN(C4)C(=O)CO)Cl	599	2-[3-{4-chloro-3-[(4-chlorophenyl)ethynyl]phenyl}-1-(3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethanol
CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@@H]1[C@H](O1)C(=O)OCC	59A	n-{[(2s,3s)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-l-isoleucine
c1ccc2c(c1)nc(c3n2nnn3)Nc4ccc(cc4)C(=O)N5CCOCC5	59B	morpholin-4-yl[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
C[C@H]1C[C@@H]([C@@H]([C@@H](C=C([C@H]([C@H](/C=C/C=C(C(=O)NC2=C(C(=O)C(=C(C1)C2=O)NCC=C)C)C)OC)OC(=O)N)C)C)O)OC	59C	[(3r,5s,6r,7r,12e)-5,11-dimethoxy-3,7,9,15,19-pentamethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-21-(prop-2-enylamino)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate
C[C@@H]1CN(Cc2c1n(nc2C(=O)Nc3cccc(c3)[C@H](C)O)Cc4ccc(cc4)F)C(=O)c5ccc[nH]5	59D	(7r)-1-(4-fluorobenzyl)-n-{3-[(1s)-1-hydroxyethyl]phenyl}-7-methyl-5-(1h-pyrrol-2-ylcarbonyl)-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridine-3-carboxamide
Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2CC(=O)OC)c4cccc5c4cc[nH]5)OC	59E	methyl [(4s)-6-(1h-indol-4-yl)-8-methoxy-1-methyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetate
CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccc(cc2)O)C(=O)N[C@H](C=O)[C@@H]3N[C@H]([C@H](CS3)C)C(=O)O	59F	(2r,4r,5r)-2-[(1r)-1-{[(2r)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoethyl]-5-methyl-1,3-thiazinane-4-carboxylic acid
CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(cc3)c4ccc5c(c4)scc5C(=O)O	59G	6-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1-benzothiophene-3-carboxylic acid
CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)[C@@H](c2ccccc2)NC(=O)N3CCNC3=O)C(=O)O)C	59H	(2r,4s)-5,5-dimethyl-2-[(1r)-2-oxo-1-{[(2r)-2-{[(2-oxoimidazolidin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}ethyl]-1,3-thiazolidine-4-carboxylic acid
C[C@@H]1[C@H](NC(=C1SCC(=O)OC(C)C)C(=O)O)[C@@H](C=O)C(C)O	59I	(2r,3r)-3-methyl-4-(2-oxidanylidene-2-propan-2-yloxy-ethyl)sulfanyl-2-[(2r)-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2,3-dihydro-1h-pyrrole-5-carboxylic acid
CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccc(cc2)O)C(=O)N[C@@H]([C@@H]3N=C([C@H](CS3)C)C(=O)O)C(=O)O	59J	(2r,5r)-2-[(r)-carboxy{[(2r)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}methyl]-5-methyl-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
Cc1nnc(s1)N2CCN(CC2)c3c4cc(sc4ncn3)CC(F)(F)F	59K	4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
Cc1cccc(c1Nc2cc(ccc2C(=O)O)[N+](=O)[O-])C(=O)O	59L	2-[(2-carboxy-5-nitrophenyl)amino]-3-methylbenzoic acid
c1c(sc2c1c(ncn2)N3CCN(CC3)c4nnc(s4)CF)CC(F)(F)F	59M	4-{4-[5-(fluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CCNc1ncc2c(n1)N(C(=O)C(=C2)c3ccc(cc3Cl)c4cncc(n4)C)CC5CCC(CC5)N	59N	8-[(trans-4-aminocyclohexyl)methyl]-6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7(8h)-one
Cc1ccc(cc1)C(=O)O[C@H]2[C@H]([C@H](O[C@H]([C@H]2OC(=O)c3ccc(cc3[N+](=O)[O-])Cl)OC)CO)O	59O	methyl 2-o-(4-chloro-2-nitrobenzoyl)-3-o-(4-methylbenzoyl)-beta-d-talopyranoside
c1c(sc2c1c(ncn2)N3CCN(CC3)c4nnc(s4)C(F)F)CC(F)(F)F	59Q	4-{4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
c1cc(cc(c1)F)CCNCCO[C@H]2CNC[C@H]2Cc3cccc(n3)N	59R	6-{[(3r,4r)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine
CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)[C@H](C(C)C)NC(=O)/C=C/c2ccc(cc2)OC	59S	(2s)-2-[[(2s)-2-[[(e)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-n-[(2s)-1-oxidanylidene-3-[(3s)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]pentanamide
Cc1cccc(n1)c2ccc(c(c2)Cl)C3=Cc4cnc(nc4N(C3=O)CC5OCC(CO5)N)NC	59T	8-[(trans-5-amino-1,3-dioxan-2-yl)methyl]-6-[2-chloro-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8h)-one
CCN1c2c(cnc(n2)NCCC3CCN(CC3)C)C=C(C1=O)c4ccc(cc4Cl)c5cncc(n5)C	59U	6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-{[2-(1-methylpiperidin-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one
c1c(sc2c1c(ncn2)N3CCN(CC3)c4nnc(s4)C(F)(F)F)CC(F)(F)F	59V	6-(2,2,2-trifluoroethyl)-4-{4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}thieno[2,3-d]pyrimidine
c1cc(cc(c1)F)CCNCCO[C@@H]2CNC[C@@H]2Cc3cccc(n3)N	59W	6-{[(3s,4s)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine
CC1(CN=C(S1)N2CCN(CC2)c3c4cc(sc4ncn3)CCF)C	59X	4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(2-fluoroethyl)thieno[2,3-d]pyrimidine
c1ccc2c(c1)cccc2c3cccc4c3nc(cc4)C(=O)O	59Y	8-(naphthalen-1-yl)quinoline-2-carboxylic acid
c1ccc2c(c1)ccc3c2n(c(c3)C(=O)NCP(=O)(O)O)CC(=O)O	59Z	{2-[(phosphonomethyl)carbamoyl]-1h-benzo[g]indol-1-yl}acetic acid
CC1(CN=C(S1)N2CCN(CC2)c3c4cc(sc4ncn3)CC(F)F)C	5A0	6-(2,2-difluoroethyl)-4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CC1(CN=C(S1)N2CCN(CC2)c3c4cc(sc4ncn3)C(C(F)(F)F)(F)F)C	5A1	4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(pentafluoroethyl)thieno[2,3-d]pyrimidine
C(P(=O)(O)O)P(=O)(O)O[C@@H]1[C@H](C([C@@H]([C@@H](C1OP(=O)(O)O)OP(=O)(CP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	5A2	3,5-di-methylenebisphosphonate inositol tetrakisphosphate
C(P(=O)(O)O)P(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	5A3	methylenebisphosphonate inositol pentakisphosphate
Cc1ccc(cc1)C(=O)O[C@H]2[C@H]([C@H](O[C@H]([C@H]2OC(=O)c3ccc(cc3[N+](=O)[O-])F)OC)CO)O	5A4	methyl 2-o-(4-fluoro-2-nitrobenzoyl)-3-o-(4-methylbenzoyl)-beta-d-talopyranoside
CC(C)c1ccc(cc1)Cc2c(nc(s2)N)C(=O)O	5A5	2-azanyl-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxylic acid
C(CCc1nnc(o1)CC[C@@H](C(=O)O)N)CCN	5A6	(2s)-2-amino-4-[5-(5-aminopentyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CC(=O)Nc1cc2ccc(nc2c(c1)c3cccc4c3cccc4)/C=C/P(=O)(O)O	5A7	{(e)-2-[6-(acetylamino)-8-(naphthalen-1-yl)quinolin-2-yl]ethenyl}phosphonic acid
c1ccc2c(c1)c(c[nH]2)CCNC(=O)CSc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)CN=[N+]=[N-])O)O)N	5A8	5'-azido-5'-deoxy-8-[(2-{[2-(1h-indol-3-yl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine
c1cc(cc(c1)Br)CCNC(=O)CSc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CN=[N+]=[N-])O)O)N	5A9	5'-azido-8-[(2-{[2-(3-bromophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-5'-deoxyadenosine
CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)N)O	5AA	n6-dimethyl-3'-amino-adenosine-5'-monophosphate
[B-](CCCC[C@@](C)(C(=O)O)N)(O)(O)O	5AB	[(5s)-5-amino-5-carboxyhexyl](trihydroxy)borate
c1[nH]c(c(n1)C(=O)N)N	5AC	5-amino-1h-imidazole-4-carboxamide
C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	5AD	5'-deoxyadenosine
C1=NC(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N	5AE	4-amino-1-(beta-d-ribofuranosyl)-1,3,5-triazin-2(1h)-one
CCC(CC)NC(c1ccc(cc1)c2ccc(o2)c3ccc(cc3)C(N)NC(CC)CC)N	5AF	2,5-bis{[4-(3-pentyl)diaminomethyl]phenyl}furan
C#Cc1cccc(c1)CCNC(=O)CSc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CN=[N+]=[N-])O)O)N	5AG	5'-azido-5'-deoxy-8-[(2-{[2-(3-ethynylphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine
CC(C)(C)[C@@H](C(=O)N[N@](CC[C@@](Cc1ccccc1)(C(=O)N[C@H]2c3ccccc3C[C@H]2O)O)Cc4ccc(cc4)c5ccccn5)NC(=O)OC	5AH	methyl [(1s)-1-({2-[(3s)-3-benzyl-3-hydroxy-4-{[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]amino}-4-oxobutyl]-2-(4-pyridin-2-ylbenzyl)hydrazino}carbonyl)-2,2-dimethylpropyl]carbamate
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O	5AI	alpha-d-glucopyranosyl 1,3,4-trisphosphate
c1ccc2c(c1)[nH]c(n2)CCNC(=O)CSc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)CN=[N+]=[N-])O)O)N	5AJ	5'-azido-8-[(2-{[2-(1h-benzimidazol-2-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-5'-deoxyadenosine
c1cc(cc(c1)Br)CCNC(=O)CSc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N	5AK	8-[(2-{[2-(3-bromophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine
C[C@@H](C(=O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	5AL	5'-o-[(r)-{[(2s)-2-aminopropanoyl]oxy}(hydroxy)phosphoryl]adenosine
c1ccc(cc1)CCCC(=O)N2CCN(CC2)Cc3nc(no3)[C@H]([C@H](CCCCN)NC(=O)OCc4ccccc4)O	5AM	benzyl {(1s)-5-amino-1-[(s)-hydroxy(5-{[4-(4-phenylbutanoyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-3-yl)methyl]pentyl}carbamate
c1c(cc(cc1F)F)N	5AN	3,5-difluoroaniline
c1cc(cc(c1)N)c2cnco2	5AO	3-(1,3-oxazol-5-yl)aniline
COc1cc(cc(c1)OC)c2nc(c(c(n2)N)CN)c3ccc(cc3Cl)Cl	5AP	5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(3,5-dimethoxyphenyl)pyrimidin-4-amine
c1ccc(cc1)CCNC(=O)CSc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N	5AQ	8-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)adenosine
C(CCN)Cc1nnc(o1)CC[C@@H](C(=O)O)N	5AR	(2s)-2-amino-4-[5-(4-aminobutyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CCNS(=O)(=O)OC[C@@H]1[C@H]([C@H](C(O1)n2cnc3c2ncnc3N)O)O	5AS	5'-o-(n-ethyl-sulfamoyl)adenosine
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CN)O	5AT	5'-amino-5'-deoxythymidine
c1ccc(cc1)[As](SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	5AU	di-glutathione-phenylarsine
Cc1c(sc(n1)C)CNc2cc(nc3n2ncc3)Cl	5AV	5-chloro-n-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
C[C@@H](CC[C@H](C)NC(=O)OCc1cncs1)NC(=O)[C@@H](C(C)C)NC(=O)N(C)Cc2csc(n2)C(C)C	5AW	n~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-n-[(2s,5s)-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-d-valinamide
CC(=O)N[C@H]1CO[C@@H]([C@H]([C@@H]1O)O)CO	5AX	2-(acetylamino)-1,5-anhydro-2-deoxy-d-glucitol
Cn1cc(cn1)CNc2cc(nc3n2ncc3)OC[C@H]4C[C@@H]4c5ccccn5	5AY	n-[(1-methyl-1h-pyrazol-4-yl)methyl]-5-{[(1s,2s)-2-(pyridin-2-yl)cyclopropyl]methoxy}pyrazolo[1,5-a]pyrimidin-7-amine
C1=NC(=O)NC(=N1)N	5AZ	6-amino-1,3,5-triazin-2(1h)-one
Cc1c(c(c(cn1)CCP(=O)(O)O)CO)O	5B0	{2-[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]ethyl}phosphonic acid
c1cc2c(cc1Br)c(n[nH]2)N	5B1	5-bromo-1h-indazol-3-amine
c1ccc(cc1)c2ccc3c(c2)c(n[nH]3)N	5B2	5-phenyl-1h-indazol-3-amine
CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2ccc3c(c2)c(n[nH]3)N	5B3	4-(3-amino-1h-indazol-5-yl)-n-tert-butylbenzenesulfonamide
Cn1cc(cn1)c2cc(ccn2)Oc3cc(c(cc3F)NC(=O)C4(CC4)C(=O)Nc5ccc(cc5)F)F	5B4	n-(2,5-difluoro-4-{[2-(1-methyl-1h-pyrazol-4-yl)pyridin-4-yl]oxy}phenyl)-n'-(4-fluorophenyl)cyclopropane-1,1-dicarboxam ide
CCN[C@H]1CO[C@H]2[C@@H]1[C@H](CCO2)OC(=O)N[C@@H](Cc3ccccc3)[C@@H](CN(CC(C)C)S(=O)(=O)c4ccc(cc4)OC)O	5B5	(3r,3as,4s,7as)-3-(ethylamino)hexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C/c2cc(cc(n2)c3ccccn3)O)O	5B6	[5-hydroxy-4-({(e)-[(4-hydroxy-2,2'-bipyridin-6-yl)methylidene]amino}methyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate
CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2[C@H](CO3)OC)O)S(=O)(=O)c4ccc(cc4)OC	5B7	(3r,3ar,4s,7as)-3-methoxyhexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
C[C@H]([C@H](C1CCCCC1)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCCN5CCOCC5)O	5B8	(1r)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2s)-1-[(2s,3r)-2-cyclohexyl-3-hydroxybutanoyl]piperidine-2-carboxylate
c1ccc2c(c1)cccc2COc3ccccc3C(=O)O	5B9	2-(naphthalen-1-ylmethoxy)benzoic acid
CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)Br)C(C)C)C(=O)CN3CCN(CC3)C	5BA	5-bromo-2-{5-[(4-methylpiperazin-1-yl)acetyl]-2-propoxyphenyl}-6-(propan-2-yl)pyrimidin-4(3h)-one
CCCCCCCCC1=C(C(=O)NC(=N1)c2cc(ccc2OCC)S(=O)(=O)N3CCN(CC3)C)Br	5BB	5-bromo-2-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-6-octylpyrimidin-4(3h)-one
CCCc1cc(ccc1OCCCOc2ccc3c(c2)ccn3CC(=O)O)C(=O)c4ccc(cc4)c5ccccc5	5BC	(5-{3-[4-(biphenyl-4-ylcarbonyl)-2-propylphenoxy]propoxy}-1h-indol-1-yl)acetic acid
CN(C)CC(=O)Nc1ccc2c(c1)C(=O)c3cc(ccc3C2=O)NC(=O)CN(C)C	5BD	n,n'-(9,10-dioxo-9,10-dihydroanthracene-2,7-diyl)bis[2-(dimethylamino)acetamide]
Cc1c(c([nH]n1)c2[nH]c3ccc(cc3n2)C(C)C)C(=O)NC4CCN(CC4)C	5BE	3-methyl-5-[5-(1-methylethyl)-1h-benzimidazol-2-yl]-n-(1-methylpiperidin-4-yl)-1h-pyrazole-4-carboxamide
c1ccc(cc1)C[C@@H](C=O)NC(=O)[C@@H]2Cc3ccc(cc3)OCCCCOc4ccc(cc4)CCC(=O)c5ccc([nH]5)C(=O)N2	5BF	(11s)-4,9-dioxo-n-[(2s)-1-oxo-3-phenylpropan-2-yl]-17,22-dioxa-10,30-diazatetracyclo[21.2.2.2~13,16~.1~5,8~]triaconta-1(25),5,7,13,15,23,26,28-octaene-11-carboxamide
COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCC(=O)O)NC(=O)[C@@H]3CCCCN3C(=O)[C@H](c4cc(c(c(c4)OC)OC)OC)C5CCCCC5	5BG	{3-[(1r)-1-[({(2s)-1-[(2s)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-2-yl}carbonyl)amino]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acid
COc1cc(cc(c1OC)OC)[C@H](C2CCCCC2)C(=O)N3CCCC[C@H]3C(=O)NC4(CCCC4)C(=O)N	5BH	(2s)-n-(1-carbamoylcyclopentyl)-1-[(2s)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxamide
Cc1ccc(cc1)C(=O)O[C@H]2[C@H]([C@H](O[C@H]([C@H]2OC(=O)c3ccc(cc3[N+](=O)[O-])C(F)(F)F)OC)CO)O	5BI	methyl 3-o-(4-methylbenzoyl)-2-o-[2-nitro-4-(trifluoromethyl)benzoyl]-beta-d-talopyranoside
c1ccc2c(c1)cccc2c3cccc4c3cc([nH]4)C(=O)O	5BJ	4-(naphthalen-1-yl)-1h-indole-2-carboxylic acid
c1cc(c2cc[nH]c2c1)c3cccc4c3cc([nH]4)C(=O)O	5BK	1h,1'h-4,4'-biindole-2-carboxylic acid
c1ccc2c(c1)cccc2c3cc(cc4c3nc(cc4)C(=O)O)c5ccc[nH]5	5BL	8-(naphthalen-1-yl)-6-(1h-pyrrol-2-yl)quinoline-2-carboxylic acid
c1ccc(c(c1)N)S/C(=C(\C#N)/C(=C(N)Sc2ccccc2N)C#N)/N	5BM	(2z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile
c1cc([nH]c1)c2cc(c3c(ccc4c3c2C(=O)N4)F)NCCN	5BN	5-[(2-aminoethyl)amino]-6-fluoro-3-(1h-pyrrol-2-yl)benzo[cd]indol-2(1h)-one
CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)Br)CC)S(=O)(=O)N3CCN(CC3)C	5BO	5-bromo-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3h)-one
c1cc2c(cnn2nc1)c3ccnc(n3)NC4CC4	5BP	n-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
CS(=O)(=O)c1ccc(c(c1)Cl)C(=O)C2C(=O)CCCC2=O	5BQ	2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione
CCCCCBr	5BR	1-bromopentane
CN1c2ccsc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4)S(=O)(=O)N)C	5BS	4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5h-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)Br)CO)O	5BT	5-bromo-2'-deoxycytidine
C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)Br	5BU	5-bromo-uridine-5'-monophosphate
CCCCCC[C@H]([C@@H](C)C(=O)O)OC(=O)CN	5BV	(2r,3r)-3-(glycyloxy)-2-methylnonanoic acid
c1ccc(c(c1)C(=O)/C=C/N2C[C@H]3C[C@@H]2CN3c4ccccn4)O	5BW	(2e)-1-(2-hydroxyphenyl)-3-[(1r,4r)-5-(pyridin-2-yl)-2,5-diazabicyclo[2.2.1]hept-2-yl]prop-2-en-1-one
C[C@H](c1c[nH]c2c1cccc2)[C@H]3C(=O)N=C(O3)NC	5BX	(5s)-5-[(1r)-1-(1h-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4(5h)-one
B([C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)C/C=C/c2cn(nn2)CCOCCOCCOCC(=O)O)(O)O	5BY	{2-[2-(2-{4-[(1e)-4-{[(2s)-1-{[(1r)-1-(dihydroxyboranyl)-3-methylbutyl]amino}-1-oxo-3-phenylpropan-2-yl]amino}-4-oxobut-1-en-1-yl]-1h-1,2,3-triazol-1-yl}ethoxy)ethoxy]ethoxy}acetic acid
B([C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCC#C)(O)O	5BZ	[(1~{r})-1-[[(2~{s})-2-(hex-5-ynoylamino)-3-phenyl-propanoyl]amino]-3-methyl-butyl]boronic acid
c1ccc(c(c1)C(=O)/C=C/N2[C@H]3CC[C@@H]2c4c(c(ncn4)NC5CC5)C3)O	5C0	(2e)-3-[(6s,9r)-4-(cyclopropylamino)-6,7,8,9-tetrahydro-5h-6,9-epiminocyclohepta[d]pyrimidin-10-yl]-1-(2-hydroxyphenyl)prop-2-en-1-one
c1ccc(c(c1)c2cnc(o2)C(=O)NO)Cl	5C1	5-(2-chlorophenyl)-n-hydroxy-1,3-oxazole-2-carboxamide
CC(C)n1c2c(cc(cn2)C(=O)NCc3coc(n3)c4cccs4)cn1	5C2	1-(propan-2-yl)-n-{[2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl}-1h-pyrazolo[3,4-b]pyridine-5-carboxamide
c1ccc(cc1)S(=O)(=O)NC(=O)C2CCC(CC2)CN	5C3	4-(aminomethyl)-n-(benzenesulfonyl)cyclohexanecarboxamide
CC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4ccccc4	5C4	4,4'-{2-[3-(phenylamino)phenyl]prop-1-ene-1,1-diyl}diphenol
COc1ccc(cc1)C2(c3ccccc3CCc4c2cccc4)SC[C@@H](C(=O)O)N	5C5	(2r)-2-azanyl-3-[[2-(4-methoxyphenyl)-2-tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaenyl]sulfanyl]propanoic acid
CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4cccc5c4cccc5	5C6	4,4'-{2-[3-(naphthalen-1-ylamino)phenyl]but-1-ene-1,1-diyl}diphenol
CC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3ccc(cc3)C(C)(C)C	5C7	4,4'-[2-(4-tert-butylphenyl)prop-1-ene-1,1-diyl]diphenol
CC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3ccc4ccccc4c3	5C8	4,4'-[2-(naphthalen-2-yl)prop-1-ene-1,1-diyl]diphenol
CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4cccc(c4)C	5C9	4,4'-(2-{3-[(3-methylphenyl)amino]phenyl}but-1-ene-1,1-diyl)diphenol
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CS)N)O)O)N	5CA	5'-o-(n-(l-cysteinyl)-sulfamoyl)adenosine
c1ccnc(c1)CCNC2=NCC(N(C2O)CC(=O)NCc3csc4c3cc(cc4)Cl)Cl	5CB	n-(5-chloro-benzo[b]thiophen-3-ylmethyl)-2-[6-chloro-oxo-3-(2-pyridin-2-yl-ethylamino)-2h-pyrazin-1-yl]-acetamide
CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4ccccc4	5CC	4,4'-{2-[3-(phenylamino)phenyl]but-1-ene-1,1-diyl}diphenol
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCl)O)O)N	5CD	5'-chloro-5'-deoxyadenosine
C[C@]12CC[C@@H](C[C@H]1CC[C@@H]2O)c3ccc(cc3C(F)(F)F)O	5CE	(1s,3ar,5s,7as)-5-[4-hydroxy-2-(trifluoromethyl)phenyl]-7a-methyloctahydro-1h-inden-1-ol
C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)F	5CF	5-fluorocytidine 5'-(dihydrogen phosphate)
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CCl)O)O)N=C(NC2=O)N	5CG	5'-chloro-5'-deoxy-guanosine
Cc1ccc(cn1)c2c(cc(cn2)Cl)c3ccc(cc3)S(=O)(=O)C	5CH	5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine
c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CNC(=O)C(CC(=O)O)(CC(=O)O)O)O)O)N	5CI	8-bromo-5'-{[3-carboxy-2-(carboxymethyl)-2-hydroxypropanoyl]amino}-5'-deoxyadenosine
C[C@]12CC[C@@H](C[C@H]1CC[C@@H]2O)c3cc(c(c(c3F)F)O)F	5CJ	(1s,3ar,5s,7as)-7a-methyl-5-(2,3,5-trifluoro-4-hydroxyphenyl)octahydro-1h-inden-1-ol
C[C@]12CC[C@@H](C[C@H]1CC[C@@H]2O)c3ccc(c(c3F)F)O	5CK	(1s,3ar,5s,7as)-5-(2,3-difluoro-4-hydroxyphenyl)-7a-methyloctahydro-1h-inden-1-ol
c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	5CL	1,2,3,4,5-pentachlorobenzene
CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	5CM	5-methyl-2'-deoxy-cytidine-5'-monophosphate
CC1CCN(CC1)c2ccc(cc2NC(=O)c3ccc(o3)C#N)CO	5CN	5-cyano-furan-2-carboxylic acid [5-hydroxymethyl-2-(4-methyl-piperidin-1-yl)-phenyl]-amide
CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)Cl)CC)S(=O)(=O)N3CCN(CC3)C	5CO	5-chloro-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3h)-one
CNc1cc(nc(n1)Nc2ccc(cc2)CC#N)Nc3cc([nH]n3)C4CC4	5CP	[4-({4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]-6-(methylamino)pyrimidin-2-yl}amino)phenyl]acetonitrile
Cc1cc(ccc1[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]3O)C)O	5CQ	(1s,3ar,5s,7as)-5-(4-hydroxy-2-methylphenyl)-7a-methyloctahydro-1h-inden-1-ol
CC(=O)N[C@@H](Cc1ccccc1)C(=O)O	5CR	n-acetyl-l-phenylalanine
C1C(ON[C@@H]1SC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N	5CS	2-amino-3-(cystein-s-yl)-isoxazolidin-5-yl-acetic acid
C(CCNC[C@H](CCN)O)C[C@@H](C(=O)O)N	5CT	hypusine
C1=C(C(=O)NC(=O)N1)C(=O)O	5CU	2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
CC(C)(CN(C)C)COc1ccc2c(c1)cc([nH]2)C3=CC(=CNC3=O)NC(=O)c4cnn(c4)Cc5ccccc5	5CV	1-benzyl-n-(5-{5-[3-(dimethylamino)-2,2-dimethylpropoxy]-1h-indol-2-yl}-6-oxo-1,6-dihydropyridin-3-yl)-1h-pyrazole-4-carboxamide
c1cc2c(cc1Cl)c(c[nH]2)C[C@@H](C(=O)O)N	5CW	5-chloro-l-tryptophan
CC(C)c1ccccc1c2ccc(cc2)S(=O)(=O)N	5CX	2'-(propan-2-yl)biphenyl-4-sulfonamide
CC1(c2ccccc2[N+](=C1/C=C/C=C/C=C/3\C(c4ccccc4N3CCCO)(C)C)CCCO)C	5CY	1-(3-hydroxypropyl)-2-{(1e,3e,5e)-5-[1-(3-hydroxypropyl)-3,3-dimethyl-1,3-dihydro-2h-indol-2-ylidene]penta-1,3-dien-1-y l}-3,3-dimethyl-3h-indolium
[H]/N=C(\c1ccc(cc1)Oc2ccc(cc2)c3cc4ccc(cc4[nH]3)/C(=N/[H])/N)/N	5CZ	2-[4-(4-carbamimidoylphenoxy)phenyl]-1h-indole-6-carboximidamide
c1cc(ccc1C2=NCCCN2)OCCCCCOc3ccc(cc3)C4=NCCCN4	5D0	2,2'-[pentane-1,5-diylbis(oxybenzene-4,1-diyl)]di-1,4,5,6-tetrahydropyrimidine
Cc1cccc(c1)CN2CCC(CC2)CNC(=O)CCCOC3=CC(=O)N(c4c3cccc4)C	5D1	n-{[1-(3-methylbenzyl)piperidin-4-yl]methyl}-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide
Cc1nnc2n1nc(cc2)N3CCC(CC3)C(=O)NCCCN4CCN(CC4)c5cccc(c5)Cl	5D2	n-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CCc1ccc(cc1)S(=O)(=O)c2c3nc(c4c(n3nn2)ccs4)NCc5cccs5	5D3	10-(4-ethylphenyl)sulfonyl-~{n}-(thiophen-2-ylmethyl)-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),3,7,9,11-pentaen-7-amine
CC(=O)NCCCCCCNC(=O)C	5D4	n-(6-acetamidohexyl)acetamide
C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C	5D5	2-{[(3alpha,5beta,7alpha,8alpha,14beta,17alpha)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid
C/C(=C\c1ccc(cc1)N(C)C)/C(=O)N[C@H]2[C@H]([C@H]3[C@@H]([C@@H]([C@H]2O)O)O[C@@H](O3)O[C@@H]([C@H](CO)O)C(=O)O)N(C)C	5D6	orthoformimycin
[H]/N=C(/N)\NCCC[C@@H](c1nc(cs1)C(=O)OCC=C)N	5D7	prop-2-en-1-yl 2-[(1s)-1-amino-4-carbamimidamidobutyl]-1,3-thiazole-4-carboxylate
[H]/N=C(\N)/NCCC[C@@H](c1nc(cs1)c2nc(c(o2)C)c3nc(cs3)C(=O)OCC)N	5D8	ethyl 2-(2-{2-[(1s)-1-amino-4-carbamimidamidobutyl]-1,3-thiazol-4-yl}-5-methyl-1,3-oxazol-4-yl)-1,3-thiazole-4-carboxylate
[H]/N=C(/N)\NCCC[C@@H](c1nc(cs1)c2nc(c(o2)C)c3nc(cs3)C(=O)OCC)NC	5D9	ethyl 2-(2-{2-[(1s)-4-carbamimidamido-1-(methylamino)butyl]-1,3-thiazol-4-yl}-5-methyl-1,3-oxazol-4-yl)-1,3-thiazole-4-carboxylate
[H]/N=C(/N)\NCCC[C@@H](c1nc(cs1)c2nc(c(o2)C)c3nc(cs3)c4nc(c(o4)C)c5ncc(o5)C)NC	5DA	1-[(4s)-4-(4-{4-[4-(5,5'-dimethyl-2,4'-bi-1,3-oxazol-2'-yl)-1,3-thiazol-2-yl]-5-methyl-1,3-oxazol-2-yl}-1,3-thiazol-2-yl)-4-(methylamino)butyl]guanidine
CC1=CN(C(=O)N=C1OC)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	5DB	1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-4-methoxy-5-methylpyrimidin-2(1h)-one
Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@H]3C2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	5DD	[(2~{r},3~{s},4~{s})-5-[(4~{a}~{r})-7,8-dimethyl-2,4-bis(oxidanylidene)-4~{a},5-dihydropyrimido[4,5-b]quinolin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate
CCOC(=O)c1c(nn(c1C)c2ccc(cc2)N)C	5DE	1-(4-aminophenyl)-3,5-dimethyl-1h-pyrazole-4-carboxylic acid ethyl ester
CS(=O)(=O)c1ccc(cc1)c2cc(cnc2N)c3ccc(cc3)O	5DF	4-{6-amino-5-[4-(methylsulfonyl)phenyl]pyridin-3-yl}phenol
CC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4ccc(cc4)F	5DG	4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}prop-1-ene-1,1-diyl)diphenol
c1ccc(cc1)C(=C(c2ccc(cc2)O)c3ccc(cc3)O)C#N	5DH	3,3-bis(4-hydroxyphenyl)-2-phenylprop-2-enenitrile
C1C(=O)[C@H]([C@@H]([C@@](O1)(CO)F)O)O	5DI	alpha-d-threo-hexo-2,5-diulo-2,6-pyranosyl fluoride
c1ccc(cc1)C=C(c2ccc(cc2)O)c3ccc(cc3)O	5DJ	4,4'-(2-phenylethene-1,1-diyl)diphenol
[H]/N=C(\N)/NCCC[C@H](C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O	5DK	(e)-n~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-d-arginine
c1ncn(n1)C[C@@H](CP(=O)(O)O)O	5DL	[(2s)-2-hydroxy-3-(1h-1,2,4-triazol-1-yl)propyl]phosphonic acid
CSCC[C@H](C(=O)O)NC[C@H](Cc1ccccc1)N	5DM	n-[(2s)-2-amino-3-phenylpropyl]-d-methionine
c1cc(cc(c1)Br)c2cc(c3cccc(c3n2)F)C(=O)O	5DN	2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid
C1CC(=O)N(C1=O)CCCCC(=O)NCCOCCOCCO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)CO)O)O)O)O)O	5DP	5-(2,5-dioxopyrrolidin-1-yl)-n-[2-(2-{2-[(4-o-alpha-d-idopyranosyl-alpha-d-mannopyranosyl)oxy]ethoxy}ethoxy)ethyl]pentanamide
c1cc(ccc1c2[nH]c3c(ccnc3n2)S(=O)(=O)NC4CCCC4)C(F)(F)F	5DQ	n-cyclopentyl-2-[4-(trifluoromethyl)phenyl]-3h-imidazo[4,5-b]pyridine-7-sulfonamide
CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)c3ccccc3	5DR	6-ethyl-5-[3-(4-methoxybiphenyl-3-yl)prop-1-yn-1-yl]pyrimidine-2,4-diamine
CN(C)c1nnc(s1)[C@H](N)S(=O)(=O)N	5DS	(r)-1-amino-1-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]methanesulfonamide
c1ccc(cc1)CCSc2c(c(c(c(c2F)F)S(=O)(=O)N)NCc3ccccc3)F	5DT	2-(benzylamino)-3,5,6-trifluoro-4-[(2-phenylethyl)sulfanyl]benzenesulfonamide
c1ccc2c(c1)CC[C@@H]2Nc3c(c(c(c(c3S(=O)(=O)N)F)F)SCCO)F	5DU	2-[(1s)-2,3-dihydro-1h-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide
Cc1cc(cc(c1)[P@](=O)(c2c3cc(ccc3[nH]c2C(=O)N)Cl)OC)CCC#N	5DV	methyl (r)-(2-carbamoyl-5-chloro-1h-indol-3-yl)[3-(2-cyanoethyl)-5-methylphenyl]phosphinate
C#Cc1ccc(cc1)C[C@@H](C(=O)O)N	5DW	4-ethynyl-l-phenylalanine
c1cc(ccc1n2c(cc(n2)C(=O)O)C[C@H](C(=O)O)N)Br	5DX	5-[(2r)-2-amino-2-carboxyethyl]-1-(4-bromophenyl)-1h-pyrazole-3-carboxylic acid
c1cc(ccc1CCCF)n2c(cc(n2)C(=O)O)C[C@H](C(=O)O)N	5DY	5-[(2r)-2-amino-2-carboxyethyl]-1-[4-(3-fluoropropyl)phenyl]-1h-pyrazole-3-carboxylic acid
c1cc(ccc1n2c(cc(n2)C(=O)O)C[C@H](C(=O)O)N)F	5DZ	5-[(2r)-2-amino-2-carboxyethyl]-1-(4-fluorophenyl)-1h-pyrazole-3-carboxylic acid
c1ccc(cc1)n2c(cc(n2)C(=O)O)C[C@H](C(=O)O)N	5E0	5-[(2r)-2-amino-2-carboxyethyl]-1-phenyl-1h-pyrazole-3-carboxylic acid
c1ccc2c(c1)c(cc(n2)c3cccc(c3)Br)C(=O)O	5E1	2-(3-bromophenyl)quinoline-4-carboxylic acid
c1cc(cc(c1)Br)c2cc(c3cc(ccc3n2)Cl)C(=O)O	5E2	2-(3-bromophenyl)-6-chloroquinoline-4-carboxylic acid
CCc1c2cc(c(cc2on1)OC)NS(=O)(=O)c3ccccc3OC	5E3	~{n}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide
c1ccc(c(c1)C(=O)O)Nc2cccc(c2)Br	5E4	2-[(3-bromophenyl)amino]benzoic acid
Cc1c2cc(ncc2n[nH]1)c3cccnc3	5E5	3-methyl-5-(pyridin-3-yl)-2h-pyrazolo[3,4-c]pyridine
c1cc(nc(c1)N[C@H]2CCC[C@@H](C2)N)c3c4cc(ncc4[nH]n3)c5cccnc5	5E6	(1s,3s)-n-{6-[5-(pyridin-3-yl)-1h-pyrazolo[3,4-c]pyridin-3-yl]pyridin-2-yl}cyclohexane-1,3-diamine
C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN[C@@H]([C@H](C)O)C(=O)NCC(C)C)O	5E7	n-[(2s,3r)-3-hydroxy-4-({(2s,3s)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-n'-[(1r)-1-phenylethyl]benzene-1,3-dicarboxamide
CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](C)Cc2ccccc2	5E8	ethyl (2z,4s)-4-{[(2s)-2-methyl-3-phenylpropanoyl]amino}-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccc(cc2)F)CC(=O)[C@H](C(C)C)N	5E9	ethyl (2z,4s)-4-{[(2r,5s)-5-amino-2-(4-fluorobenzyl)-6-methyl-4-oxoheptanoyl]amino}-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)c3nnc(o3)NCCN4CCOCC4	5EA	5-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-n-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine
CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC3CC3	5EB	ethyl (2z,4s)-4-{[n-(3-cyclopropylpropanoyl)-l-phenylalanyl]amino}-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CC(C)C	5EC	ethyl (2z,4s)-4-{[n-(3-methylbutanoyl)-l-phenylalanyl]amino}-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(=O)NCCC3CC3	5ED	ethyl (2z,4s)-4-[(n-{[(2-cyclopropylethyl)amino](oxo)acetyl}-l-phenylalanyl)amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
c1cc(sc1)S(=O)(=O)NN2C(=O)[C@H](SC2=S)Cc3ccc(c(c3)Cl)Cl	5EE	5r-(3,4-dichlorophenylmethyl)-3-(2-thiophenesulfonylamino)-4-oxo-2-thionothiazolidine
c1ccc2c(c1)CC[C@@H]2Nc3c(c(c(c(c3S(=O)(=O)CCO)F)F)S(=O)(=O)N)F	5EF	3-[(1s)-2,3-dihydro-1h-inden-1-ylamino]-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
c1ccc(c(c1)OCc2nnnn2CC(=O)NNC(=O)Nc3ccc(cc3)Cl)Cl	5EG	2-({5-[(2-chlorophenoxy)methyl]-1h-tetrazol-1-yl}acetyl)-n-(4-chlorophenyl)hydrazinecarboxamide
CN(C)CC/C=C/1\c2ccccc2COc3c1cccc3	5EH	(3e)-3-(dibenzo[b,e]oxepin-11(6h)-ylidene)-n,n-dimethylpropan-1-amine
Cc1ccc(cc1)C(=O)O[C@H]2[C@H]([C@H](O[C@H]([C@H]2OC(=O)c3cccc(c3)[N+](=O)[O-])OC)CO)O	5EI	methyl 3-o-(4-methylbenzoyl)-2-o-(3-nitrobenzoyl)-beta-d-talopyranoside
CCOC1=NC(=O)N(C=C1C)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	5EJ	1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-4-ethoxy-5-methylpyrimidin-2(1h)-one
c1ccc(c(c1)c2nnnn2CC(=O)NNC(=O)Nc3ccc4ccn(c4c3)c5ccccc5Cl)Cl	5EK	n-[1-(2-chlorophenyl)-1h-indol-6-yl]-2-{[5-(2-chlorophenyl)-1h-tetrazol-1-yl]acetyl}hydrazinecarboxamide
c1cc(ccc1C#C[C@@]2(CN3CCC2CC3)O)Oc4ccc(cc4)C(=O)NCc5ccncc5	5EL	4-(4-{[(3s)-3-hydroxy-1-azabicyclo[2.2.2]oct-3-yl]ethynyl}phenoxy)-n-(pyridin-4-ylmethyl)benzamide
CC(C)([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)N	5EM	n-[(2s)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzamide
C[C@]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)(C(F)F)O	5EN	4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-n-[(2s,3s)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide
CCCOc1ccc(cc1C2=NC(=CC(=O)N2)CC)S(=O)(=O)N3CCN(CC3)C	5EO	6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3h)-one
CC[C@H](C)[C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N	5EP	n~2~-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-n-hydroxy-l-isoleucinamide
c1cc2c(cc[nH]2)cc1C(=O)C=C(C(=O)O)O	5EQ	(2z)-2-hydroxy-4-(1h-indol-5-yl)-4-oxobut-2-enoic acid
c1ccc2c(c1)c(c[nH]2)C(=O)/C=C(/C(=O)O)\O	5ER	(2z)-2-hydroxy-4-(1h-indol-3-yl)-4-oxobut-2-enoic acid
c1cc(cc(c1)Nc2ccc(cc2)F)C=C(c3ccc(cc3)O)c4ccc(cc4)O	5ES	4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
c1cc(c(cc1O)Cl)c2ccc(s2)c3ccc(cc3Cl)O	5ET	4,4'-thiene-2,5-diylbis(3-chlorophenol)
Cc1cc(sc1c2ccc(cc2Cl)O)c3ccc(cc3Cl)O	5EU	4,4'-(3-methylthiene-2,5-diyl)bis(3-chlorophenol)
Cc1cc2ccc(cc2n1c3ccccc3Oc4ccccc4)Nc5nccc(n5)NC	5EV	n~4~-methyl-n~2~-[2-methyl-1-(2-phenoxyphenyl)-1h-indol-6-yl]pyrimidine-2,4-diamine
Cc1cc2ccc(cc2n1c3cc(cnc3Cl)C4=C(C=CN(C4=O)C)C)Nc5nccc(n5)NC	5EW	6'-chloro-1,4-dimethyl-5'-(2-methyl-6-{[4-(methylamino)pyrimidin-2-yl]amino}-1h-indol-1-yl)-3,3'-bipyridin-2(1h)-one
CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(=O)NCC3CCC3	5EX	ethyl (2z,4s)-4-[(n-{[(cyclobutylmethyl)amino](oxo)acetyl}-l-phenylalanyl)amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
c1ccc\2c(c1)C[C@H](/C2=C/c3ccc4c(c3C(=O)O)O[C@@H](CO4)CCC(=O)O)O	5EY	(3r)-3-(3-hydroxy-3-oxopropyl)-6-[(e)-[(2r)-2-oxidanyl-2,3-dihydroinden-1-ylidene]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
c1c2c(cc(c1OC[C@@H]3CCNC3)Cl)C(=O)NC=C2	5EZ	7-choro-6-[(3r)-pyrrolidin-3-ylmethoxy]isoquinolin-1(2h)-one
COC(=O)[C@H](CC(=O)O)N	5F0	(3~{s})-3-azanyl-4-methoxy-4-oxidanylidene-butanoic acid
c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CF)O)N	5F1	5'-fluoro-2',5'-dideoxyadenosine
CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C	5F2	ethyl (2z,4s)-4-[(n-acetyl-l-phenylalanyl)amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
c1cnccc1c2cc(cc(c2)C(=O)O)c3ccncc3	5F3	3,5-di(pyridin-4-yl)benzoic acid
CNC(=O)c1cc(c[nH]1)C(=O)c2c(cccc2Cl)Cl	5F4	4-(2,6-dichlorobenzoyl)-n-methyl-1h-pyrrole-2-carboxamide
c1cc(cc(c1)C(=O)O)c2nccs2	5F5	3-(1,3-thiazol-2-yl)benzoic acid
c1cc(c(c(c1)Cl)C(=O)c2ccc3c(c2)cccn3)Cl	5F6	(2,6-dichlorophenyl)(quinolin-6-yl)methanone
CN(c1ccc2c(c1)c(ccn2)OC)c3c(cccc3Cl)Cl	5F7	n-(2,6-dichlorophenyl)-4-methoxy-n-methylquinolin-6-amine
c1cc(cc(c1)C(=O)O)c2cccnc2	5F8	3-(pyridin-3-yl)benzoic acid
CCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	5F9	arachinoyl-coa
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O)N	5FA	adenosine-5'-pentaphosphate
COc1cc(ccc1Oc2ccc(cc2C(F)(F)F)C#N)C[C@@H]3C(=O)NC(=O)S3	5FB	4-(4-{[(5r)-2,4-dioxo-1,3-thiazolidin-5-yl]methyl}-2-methoxyphenoxy)-3-(trifluoromethyl)benzonitrile
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)C=O)COP(=O)(O)O)O	5FC	5-formyl-2'-deoxy-cytidine-5'-monophosphate
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CF)O)O)N	5FD	5'-fluoro-5'-deoxyadenosine
C[C@@H](C(=O)N[C@H]([C@H](CC(=O)OC)O)C(F)(F)F)NC(=O)C[C@@H]([C@H](C(F)(F)F)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)O	5FE	5,5,5-trifluoro-3-hydroxy-4-[2-(5,5,5-trifluoro-3-hydroxy-4-{3-methyl-2-[3-methyl-2-(3-methyl-butyrylamino)-butyrylamino]-butyrylamino}-pentanoylamino)-propionylamino]-pentanoic acid methyl ester
CCc1ccc(cc1)[C@H]2C[C@H](n3c(c(cn3)C(=O)NCc4ccc(cc4)OC)N2)C(F)(F)F	5FF	(5r,7s)-5-(4-ethylphenyl)-n-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
c1ccc(cc1)C[C@H]2C(=O)NC(=O)N2	5FH	(5s)-5-benzylimidazolidine-2,4-dione
CCc1cncnc1N2CCN(CC2)Cc3[nH]c4ccc(cc4n3)C(F)(F)F	5FI	2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1h-benzimidazole
CC(C)(C)NC(=O)c1cncn1C2CCN(CC2)c3ccc(cn3)c4nnc(o4)C(F)(F)F	5FJ	n-tert-butyl-1-(1-{5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-yl}piperidin-4-yl)-1h-imidazole-5-carboxamide
CCc1ccc(cc1)[C@H]2C[C@H](n3c(c(cn3)C(=O)NCc4ccc(cn4)F)N2)C(F)(F)F	5FK	(5r,7s)-5-(4-ethylphenyl)-n-[(5-fluoropyridin-2-yl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
c1cc(cc(c1)C(=O)O)c2ccncc2	5FL	3-(pyridin-4-yl)benzoic acid
CC1=N[C@@H]2[C@H]([C@@H]([C@](O[C@@H]2O1)(CO)F)O)O	5FN	(3as,5s,6s,7r,7ar)-5-fluoro-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d][1,3]oxazole-6,7-diol