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CSN

CSN
Name:	N,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUM
Formula:	C6 H5 N O7 S
SMILES:	O=S(=O)(Oc1cc(ccc1O)[N+]([O-])=O)O
InChi:	InChI=1S/C6H5NO7S/c8-5-2-1-4(7(9)10)3-6(5)14-15(11,12)13/h1-3,8H,(H,11,12,13)
Definition date:	2000-05-25
Last modified:	2011-06-04
Identifier:	2-hydroxy-5-nitrophenyl hydrogen sulfate

SDX

SDX
Name:	s-citryldethia Coenzyme A
Formula:	C28 H46 N7 O22 P3
SMILES:	O=C(O)C(O)(CC(=O)O)CC(=O)CCCNC(=O)CCNC(O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O
InChi:	InChI=1S/C28H46N7O22P3/c1-27(2,21(41)24(42)31-7-5-16(37)30-6-3-4-14(36)8-28(45,26(43)44)9-17(38)39)11-54-60(51,52)57-59(49,50)53-10-15-20(56-58(46,47)48)19(40)25(55-15)35-13-34-18-22(29)32-12-33-23(18)35/h12-13,15,19-21,24-25,31,40-42,45H,3-11H2,1-2H3,(H,30,37)(H,38,39)(H,43,44)(H,49,50)(H,51,52)(H2,29,32,33)(H2,46,47,48)/t15-,19-,20-,21+,24+,25-,28-/m1/s1
Definition date:	2008-09-16
Last modified:	2011-06-04
Identifier:	(2R)-2-{(11S,12R,16R,18S)-20-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-11,12,16,18-tetrahydroxy-13,13-dimethyl-16,18-dioxido-2,7-dioxo-15,17,19-trioxa-6,10-diaza-16,18-diphosphaicos-1-yl}-2-hydroxybutanedioic acid (non-preferred name)

CT4

CT4
Name:	1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine
Formula:	C6 H8 Cl N5 O2 S
SMILES:	Clc1ncc(s1)CN/C(=N/[N+]([O-])=O)NC
InChi:	InChI=1S/C6H8ClN5O2S/c1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4/h2H,3H2,1H3,(H2,8,10,11)
Definition date:	2008-03-12
Last modified:	2011-06-04
Identifier:	1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine

CT9

CT9
Name:	4-[5-(TRANS-4-AMINOCYCLOHEXYLAMINO)-3-ISOPROPYLPYRAZOLO[1,5-A]PYRIMIDIN-7-YLAMINO]-N,N-DIMETHYLBENZENESULFONAMIDE
Formula:	C23 H33 N7 O2 S
SMILES:	O=S(=O)(N(C)C)c1ccc(cc1)Nc2cc(nc3c(cnn23)C(C)C)NC4CCC(N)CC4
InChi:	InChI=1S/C23H33N7O2S/c1-15(2)20-14-25-30-22(27-18-9-11-19(12-10-18)33(31,32)29(3)4)13-21(28-23(20)30)26-17-7-5-16(24)6-8-17/h9-17,27H,5-8,24H2,1-4H3,(H,26,28)/t16-,17-
Definition date:	2005-01-17
Last modified:	2011-06-04
Identifier:	4-({5-[(trans-4-aminocyclohexyl)amino]-3-(1-methylethyl)pyrazolo[1,5-a]pyrimidin-7-yl}amino)-N,N-dimethylbenzenesulfonamide

CTA

CTA
Name:	CYCLOTHEONAMIDE A
Formula:	C36 H45 N9 O8
SMILES:	O=C1N4C(C(=O)NC(C(=O)C(=O)NC(C(=O)NC(C=CC(=O)NCC1NC=O)Cc2ccc(O)cc2)Cc3ccccc3)CCCNC(=[N@H])N)CCC4
InChi:	InChI=1S/C36H45N9O8/c37-36(38)39-16-4-8-26-31(49)34(52)44-27(19-22-6-2-1-3-7-22)32(50)42-24(18-23-10-13-25(47)14-11-23)12-15-30(48)40-20-28(41-21-46)35(53)45-17-5-9-29(45)33(51)43-26/h1-3,6-7,10-15,21,24,26-29,47H,4-5,8-9,16-20H2,(H,40,48)(H,41,46)(H,42,50)(H,43,51)(H,44,52)(H4,37,38,39)/b15-12+/t24-,26+,27-,28+,29+/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	1-{3-[(3S,7R,10S,11E,16S,21aS)-7-benzyl-16-(formylamino)-10-(4-hydroxybenzyl)-1,4,5,8,13,17-hexaoxo-2,3,4,5,6,7,8,9,10,13,14,15,16,17,19,20,21,21a-octadecahydro-1H-pyrrolo[2,1-j][1,4,8,11,15]pentaazacyclononadecin-3-yl]propyl}guanidine

CTB

CTB
Name:	N-2-THIOPHEN-2-YL-ACETAMIDE BORONIC ACID
Formula:	C7 H10 B N O3 S
SMILES:	O=C(NCB(O)O)Cc1sccc1
InChi:	InChI=1S/C7H10BNO3S/c10-7(9-5-8(11)12)4-6-2-1-3-13-6/h1-3,11-12H,4-5H2,(H,9,10)
Definition date:	2000-09-26
Last modified:	2011-06-04
Identifier:	{[(thiophen-2-ylacetyl)amino]methyl}boronic acid

CTD

CTD
Name:	3-DEAZACYTIDINE
Formula:	C10 H14 N2 O5
SMILES:	O=C1C=C(N)C=CN1C2OC(C(O)C2O)CO
InChi:	InChI=1S/C10H14N2O5/c11-5-1-2-12(7(14)3-5)10-9(16)8(15)6(4-13)17-10/h1-3,6,8-10,13,15-16H,4,11H2/t6-,8-,9-,10-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	4-amino-1-beta-D-ribofuranosylpyridin-2(1H)-one

SEB

SEB
Name:	O-BENZYLSULFONYL-SERINE
Formula:	C10 H13 N O5 S
SMILES:	O=C(O)C(N)COS(=O)(=O)Cc1ccccc1
InChi:	InChI=1S/C10H13NO5S/c11-9(10(12)13)6-16-17(14,15)7-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1
Definition date:	1999-08-12
Last modified:	2011-06-04
Identifier:	O-(benzylsulfonyl)-L-serine

CTG

CTG
Name:	(5R,6S)-5,6-DIHYDRO-5,6-DIHYDROXYTHYMIDINE-5'-MONOPHOSPHATE
Formula:	C10 H17 N2 O10 P
SMILES:	O=C1N(C(O)C(O)(C(=O)N1)C)C2OC(C(O)C2)COP(=O)(O)O
InChi:	InChI=1S/C10H17N2O10P/c1-10(17)7(14)11-9(16)12(8(10)15)6-2-4(13)5(22-6)3-21-23(18,19)20/h4-6,8,13,15,17H,2-3H2,1H3,(H,11,14,16)(H2,18,19,20)/t4-,5+,6+,8-,10-/m0/s1
Definition date:	2006-09-13
Last modified:	2011-06-04
Identifier:	5,6-dihydroxythymidine 5'-(dihydrogen phosphate)

CTP

CTP
Name:	CYTIDINE-5'-TRIPHOSPHATE
Formula:	C9 H16 N3 O14 P3
SMILES:	O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O
InChi:	InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	cytidine 5'-(tetrahydrogen triphosphate)

SEN

SEN
Name:	O-[N,N-dimethylphosphoramidate]-L-serine
Formula:	C5 H13 N2 O5 P
SMILES:	O=P(O)(OCC(N)C(=O)O)N(C)C
InChi:	InChI=1S/C5H13N2O5P/c1-7(2)13(10,11)12-3-4(6)5(8)9/h4H,3,6H2,1-2H3,(H,8,9)(H,10,11)/t4-/m0/s1
Definition date:	2008-06-27
Last modified:	2011-06-04
Identifier:	O-[(S)-(dimethylamino)(hydroxy)phosphoryl]-L-serine

SFB

SFB
Name:	(2S,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-N-[[(2S,3S,4R,5R)-5-(2,4-DIOXOPYRIMIDIN-1-YL)-4-HYDROXY-2-(HYDROXYMETHYL)OXOLAN-3-YL]METHYLSULFONYL]-3,4-DIHYDROXY-OXOLANE-2-CARBOXAMIDE
Formula:	C20 H28 N8 O11 S
SMILES:	O=C(NS(=O)(=O)CC2C(OC(N1C(=O)NC(=O)C=C1)C2O)CO)C5OC(n3c4ncnc(N)c4nc3)C(O)C5O
InChi:	InChI=1S/C20H24N8O11S/c21-15-10-16(23-5-22-15)28(6-24-10)19-13(33)12(32)14(39-19)17(34)26-40(36,37)4-7-8(3-29)38-18(11(7)31)27-2-1-9(30)25-20(27)35/h1-2,5-8,11-14,18-19,29,31-33H,3-4H2,(H,26,34)(H2,21,22,23)(H,25,30,35)/t7-,8-,11-,12+,13-,14+,18-,19-/m1/s1
Definition date:	2010-08-16
Last modified:	2011-06-04
Identifier:	(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-({[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]methyl}sulfonyl)-3,4-dihydroxytetrahydrofuran-2-carboxamide (non-preferred name)

CVB

CVB
Name:	4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID
Formula:	C9 H9 B O4
SMILES:	O=C(O)C=Cc1ccc(B(O)O)cc1
InChi:	InChI=1S/C9H9BO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-6,13-14H,(H,11,12)/b6-3+
Definition date:	2001-11-20
Last modified:	2011-06-04
Identifier:	(2E)-3-[4-(dihydroxyboranyl)phenyl]prop-2-enoic acid

SGI

SGI
Name:	3-(4-hydroxyphenyl)propanamide
Formula:	C9 H11 N O2
SMILES:	O=C(N)CCc1ccc(O)cc1
InChi:	InChI=1S/C9H11NO2/c10-9(12)6-3-7-1-4-8(11)5-2-7/h1-2,4-5,11H,3,6H2,(H2,10,12)
Definition date:	2007-09-19
Last modified:	2011-06-04
Identifier:	3-(4-hydroxyphenyl)propanamide

SGP

SGP
Name:	GUANOSINE-2',3'-CYCLOPHOSPHOROTHIOATE
Formula:	C10 H12 N5 O6 P S
SMILES:	S=P1(OC2C(OC(C2O1)CO)n3c4N=C(N)NC(=O)c4nc3)O
InChi:	InChI=1S/C10H12N5O6PS/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-6-5(3(1-16)19-9)20-22(18,23)21-6/h2-3,5-6,9,16H,1H2,(H,18,23)(H3,11,13,14,17)/t3-,5-,6-,9-,22+/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	2-amino-9-[(2S,3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-sulfidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]-1,9-dihydro-6H-purin-6-one

SGR

SGR
Name:	O-[(R)-AMINO(METHOXY)PHOSPHORYL]-L-SERINE
Formula:	C4 H11 N2 O5 P
SMILES:	O=P(OC)(OCC(N)C(=O)O)N
InChi:	InChI=1S/C4H11N2O5P/c1-10-12(6,9)11-2-3(5)4(7)8/h3H,2,5H2,1H3,(H2,6,9)(H,7,8)/t3-,12+/m0/s1
Definition date:	2007-02-13
Last modified:	2011-06-04
Identifier:	O-[(R)-amino(methoxy)phosphoryl]-L-serine

SGX

SGX
Name:	O-[(S)-AMINO(METHOXY)PHOSPHORYL]-L-SERINE
Formula:	C4 H11 N2 O5 P
SMILES:	O=P(OC)(OCC(N)C(=O)O)N
InChi:	InChI=1S/C4H11N2O5P/c1-10-12(6,9)11-2-3(5)4(7)8/h3H,2,5H2,1H3,(H2,6,9)(H,7,8)/t3-,12-/m0/s1
Definition date:	2007-02-13
Last modified:	2011-06-04
Identifier:	O-[(S)-amino(methoxy)phosphoryl]-L-serine

SH1

SH1
Name:	N-[(2-PHENYLETHYL)SULFONYL]-D-SERYL-N-[(1S)-4-[(DIAMINOMETHYLENE)AMINO]-1-(HYDROXYMETHYL)BUTYL]-L-ALANINAMIDE
Formula:	C20 H34 N6 O6 S
SMILES:	O=C(NC(CCC/N=C(N)N)CO)C(NC(=O)C(NS(=O)(=O)CCc1ccccc1)CO)C
InChi:	InChI=1S/C20H34N6O6S/c1-14(18(29)25-16(12-27)8-5-10-23-20(21)22)24-19(30)17(13-28)26-33(31,32)11-9-15-6-3-2-4-7-15/h2-4,6-7,14,16-17,26-28H,5,8-13H2,1H3,(H,24,30)(H,25,29)(H4,21,22,23)/t14-,16-,17+/m0/s1
Definition date:	2004-06-15
Last modified:	2011-06-04
Identifier:	N-[(2-phenylethyl)sulfonyl]-D-seryl-N-[(1S)-4-[(diaminomethylidene)amino]-1-(hydroxymethyl)butyl]-L-alaninamide

SHA

SHA
Name:	SALICYLHYDROXAMIC ACID
Formula:	C7 H7 N O3
SMILES:	O=C(c1ccccc1O)NO
InChi:	InChI=1S/C7H7NO3/c9-6-4-2-1-3-5(6)7(10)8-11/h1-4,9,11H,(H,8,10)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	N,2-dihydroxybenzamide

SHP

SHP
Name:	(4-HYDROXYMALTOSEPHENYL)GLYCINE
Formula:	C20 H29 N O13
SMILES:	O=C(O)C(N)c3ccc(OC2OC(C(O)C(O)C2OC1OC(CO)C(O)C(O)C1O)CO)cc3
InChi:	InChI=1S/C20H29NO13/c21-11(18(29)30)7-1-3-8(4-2-7)31-20-17(15(27)13(25)10(6-23)33-20)34-19-16(28)14(26)12(24)9(5-22)32-19/h1-4,9-17,19-20,22-28H,5-6,21H2,(H,29,30)/t9-,10-,11+,12-,13-,14+,15+,16+,17+,19-,20+/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(2S)-amino{4-[(2-O-alpha-D-mannopyranosyl-alpha-D-mannopyranosyl)oxy]phenyl}ethanoic acid

SHY

SHY
Name:	4-[(3AS,4R,7R,8AS,8BR)-2-(1,3-BENZODIOXOL-5-YLMETHYL)-7-HYDROXY-1,3-DIOXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZENECARBOXIMIDAMIDE
Formula:	C24 H24 N4 O5
SMILES:	O=C1N(C(=O)C4C1C(c2ccc(C(=[N@H])N)cc2)N3CC(O)CC34)Cc5ccc6OCOc6c5
InChi:	InChI=1S/C24H24N4O5/c25-22(26)14-4-2-13(3-5-14)21-20-19(16-8-15(29)10-27(16)21)23(30)28(24(20)31)9-12-1-6-17-18(7-12)33-11-32-17/h1-7,15-16,19-21,29H,8-11H2,(H3,25,26)/t15-,16+,19+,20+,21+/m1/s1
Definition date:	2004-05-24
Last modified:	2011-06-04
Identifier:	4-[(3aS,4R,7R,8aS,8bR)-2-(1,3-benzodioxol-5-ylmethyl)-7-hydroxy-1,3-dioxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide

CX1

CX1
Name:	N-[(benzyloxy)carbonyl]-L-histidyl-N-methyl-L-phenylalanyl-L-tyrosine
Formula:	C33 H35 N5 O7
SMILES:	O=C(O)C(NC(=O)C(N(C(=O)C(NC(=O)OCc1ccccc1)Cc2ncnc2)C)Cc3ccccc3)Cc4ccc(O)cc4
InChi:	InChI=1S/C33H35N5O7/c1-38(31(41)27(18-25-19-34-21-35-25)37-33(44)45-20-24-10-6-3-7-11-24)29(17-22-8-4-2-5-9-22)30(40)36-28(32(42)43)16-23-12-14-26(39)15-13-23/h2-15,19,21,27-29,39H,16-18,20H2,1H3,(H,34,35)(H,36,40)(H,37,44)(H,42,43)/t27-,28-,29-/m0/s1
Definition date:	2008-02-07
Last modified:	2011-06-04
Identifier:	N-[(benzyloxy)carbonyl]-L-histidyl-N-methyl-L-phenylalanyl-L-tyrosine

CX6

CX6
Name:	2,3,6A,7,8,9-HEXAHYDRO-11H-[1,4]DIOXINO[2,3-G]PYRROLO[2,1-B][1,3]BENZOXAZIN-11-ONE
Formula:	C13 H13 N O4
SMILES:	O=C1c3c(OC2N1CCC2)cc4OCCOc4c3
InChi:	InChI=1S/C13H13NO4/c15-13-8-6-10-11(17-5-4-16-10)7-9(8)18-12-2-1-3-14(12)13/h6-7,12H,1-5H2/t12-/m1/s1
Definition date:	2005-08-18
Last modified:	2011-06-04
Identifier:	(6aR)-2,3,6a,7,8,9-hexahydro-11H-[1,4]dioxino[2,3-g]pyrrolo[2,1-b][1,3]benzoxazin-11-one

SIB

SIB
Name:	(2S)-2-AMINO-4-({[(2S,3S,4R,5R)-3,4-DIHYDROXY-5-(6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)TETRAHYDROFURAN-2-YL]METHYL}THIO)BUTANOIC ACID
Formula:	C14 H19 N5 O6 S
SMILES:	O=C(O)C(N)CCSCC3OC(n2cnc1c2N=CNC1=O)C(O)C3O
InChi:	InChI=1S/C14H19N5O6S/c15-6(14(23)24)1-2-26-3-7-9(20)10(21)13(25-7)19-5-18-8-11(19)16-4-17-12(8)22/h4-7,9-10,13,20-21H,1-3,15H2,(H,23,24)(H,16,17,22)/t6-,7+,9+,10+,13+/m0/s1
Definition date:	2007-04-26
Last modified:	2011-06-04
Identifier:	(2S)-2-amino-4-({[(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1,6-dihydro-9H-purin-9-yl)tetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name)

CXA

CXA
Name:	PHENYLALANINE-N-SULFONAMIDE
Formula:	C9 H12 N2 O4 S
SMILES:	O=S(=O)(NC(C(=O)O)Cc1ccccc1)N
InChi:	InChI=1S/C9H12N2O4S/c10-16(14,15)11-8(9(12)13)6-7-4-2-1-3-5-7/h1-5,8,11H,6H2,(H,12,13)(H2,10,14,15)/t8-/m0/s1
Definition date:	2002-07-30
Last modified:	2011-06-04
Identifier:	N-sulfamoyl-L-phenylalanine

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