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SLR

SLR
Name:	(3R,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxo-D-proline
Formula:	C10 H17 N O5
SMILES:	O=C1NC(C(=O)O)(C(O)C1C)C(O)C(C)C
InChi:	InChI=1S/C10H17NO5/c1-4(2)6(12)10(9(15)16)7(13)5(3)8(14)11-10/h4-7,12-13H,1-3H3,(H,11,14)(H,15,16)/t5-,6+,7-,10-/m1/s1
Definition date:	2008-07-29
Last modified:	2011-06-04
Identifier:	(3R,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxo-D-proline

SLU

SLU
Name:	5'-O-[N-(DEHYDROLUCIFERYL)-SULFAMOYL] ADENOSINE
Formula:	C21 H18 N8 O8 S3
SMILES:	O=S(=O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)NC(=O)c4nc(sc4)c5nc6ccc(O)cc6s5
InChi:	InChI=1S/C21H18N8O8S3/c22-16-13-17(24-6-23-16)29(7-25-13)21-15(32)14(31)11(37-21)4-36-40(34,35)28-18(33)10-5-38-19(27-10)20-26-9-2-1-8(30)3-12(9)39-20/h1-3,5-7,11,14-15,21,30-32H,4H2,(H,28,33)(H2,22,23,24)/t11-,14-,15-,21-/m1/s1
Definition date:	2005-09-06
Last modified:	2011-06-04
Identifier:	5'-O-({[2-(6-hydroxy-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]carbonyl}sulfamoyl)adenosine

SM1

SM1
Name:	N-(BENZYLSULFONYL)-D-SERYL-N-(4-{[AMINO(IMINO)METHYL]AMINO}BENZYL)-L-ALANINAMIDE
Formula:	C21 H28 N6 O5 S
SMILES:	O=S(=O)(NC(C(=O)NC(C(=O)NCc1ccc(NC(=[N@H])N)cc1)C)CO)Cc2ccccc2
InChi:	InChI=1S/C21H28N6O5S/c1-14(19(29)24-11-15-7-9-17(10-8-15)26-21(22)23)25-20(30)18(12-28)27-33(31,32)13-16-5-3-2-4-6-16/h2-10,14,18,27-28H,11-13H2,1H3,(H,24,29)(H,25,30)(H4,22,23,26)/t14-,18+/m0/s1
Definition date:	2004-06-15
Last modified:	2011-06-04
Identifier:	N-(benzylsulfonyl)-D-seryl-N-(4-carbamimidamidobenzyl)-L-alaninamide

SM2

SM2
Name:	(1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID
Formula:	C14 H14 B N O5 S
SMILES:	O=C(NC(B(O)O)c1cc(C(=O)O)ccc1)Cc2sccc2
InChi:	InChI=1S/C14H14BNO5S/c17-12(8-11-5-2-6-22-11)16-13(15(20)21)9-3-1-4-10(7-9)14(18)19/h1-7,13,20-21H,8H2,(H,16,17)(H,18,19)/t13-/m0/s1
Definition date:	2002-10-23
Last modified:	2011-06-04
Identifier:	3-{(R)-(dihydroxyboranyl)[(thiophen-2-ylacetyl)amino]methyl}benzoic acid

SM3

SM3
Name:	(1R)-1-(2-THIENYLACETYLAMINO)-1-PHENYLMETHYLBORONIC ACID
Formula:	C13 H14 B N O3 S
SMILES:	O=C(NC(B(O)O)c1ccccc1)Cc2sccc2
InChi:	InChI=1S/C13H14BNO3S/c16-12(9-11-7-4-8-19-11)15-13(14(17)18)10-5-2-1-3-6-10/h1-8,13,17-18H,9H2,(H,15,16)/t13-/m0/s1
Definition date:	2002-10-23
Last modified:	2011-06-04
Identifier:	{(R)-phenyl[(thiophen-2-ylacetyl)amino]methyl}boronic acid

SM5

SM5
Name:	(1E)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime
Formula:	C22 H23 N5 O
SMILES:	n4c(c1ccncc1)c(c3ccc2C(=NO)CCc2c3)cn4C5CCNCC5
InChi:	InChI=1S/C22H23N5O/c28-26-21-4-2-16-13-17(1-3-19(16)21)20-14-27(18-7-11-24-12-8-18)25-22(20)15-5-9-23-10-6-15/h1,3,5-6,9-10,13-14,18,24,28H,2,4,7-8,11-12H2/b26-21+
Definition date:	2008-06-05
Last modified:	2011-06-04
Identifier:	(1E)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime

D15

D15
Name:	N-(5-{[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-1H-indazol-3-yl)benzamide
Formula:	C24 H22 Cl N5 O2
SMILES:	Clc1cccc(c1)C(C(=O)Nc2cc3c(cc2)nnc3NC(=O)c4ccccc4)CCN
InChi:	InChI=1S/C24H22ClN5O2/c25-17-8-4-7-16(13-17)19(11-12-26)24(32)27-18-9-10-21-20(14-18)22(30-29-21)28-23(31)15-5-2-1-3-6-15/h1-10,13-14,19H,11-12,26H2,(H,27,32)(H2,28,29,30,31)/t19-/m0/s1
Definition date:	2008-06-30
Last modified:	2011-06-04
Identifier:	N-(5-{[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-1H-indazol-3-yl)benzamide

SM7

SM7
Name:	6-[1-(piperidin-4-yl)-3-(pyridin-4-yl)-1H-pyrazol-4-yl]indeno[1,2-c]pyrazole
Formula:	C23 H20 N6
SMILES:	N6=NC=5C(C=C4C=5C=CC(c1cn(nc1c2ccncc2)C3CCNCC3)=C4)=C6
InChi:	InChI=1S/C23H20N6/c1-2-20-17(12-18-13-26-27-22(18)20)11-16(1)21-14-29(19-5-9-25-10-6-19)28-23(21)15-3-7-24-8-4-15/h1-4,7-8,11-14,19,25H,5-6,9-10H2
Definition date:	2010-12-07
Last modified:	2011-06-04
Identifier:	6-[1-(piperidin-4-yl)-3-(pyridin-4-yl)-1H-pyrazol-4-yl]indeno[1,2-c]pyrazole

D17

D17
Name:	N-({3-[({4-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl}amino)methyl]phenyl}carbonyl)-L-glutamic acid
Formula:	C23 H21 N3 O6 S2
SMILES:	O=C1C(SC(=S)N1)=Cc3ccc(NCc2cc(C(=O)NC(C(=O)O)CCC(=O)O)ccc2)cc3
InChi:	InChI=1S/C23H21N3O6S2/c27-19(28)9-8-17(22(31)32)25-20(29)15-3-1-2-14(10-15)12-24-16-6-4-13(5-7-16)11-18-21(30)26-23(33)34-18/h1-7,10-11,17,24H,8-9,12H2,(H,25,29)(H,27,28)(H,31,32)(H,26,30,33)/b18-11-/t17-/m0/s1
Definition date:	2009-05-28
Last modified:	2011-06-04
Identifier:	N-({3-[({4-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl}amino)methyl]phenyl}carbonyl)-L-glutamic acid

SM8

SM8
Name:	SIMOCYCLINONE D8
Formula:	C46 H42 Cl N O18
SMILES:	Clc2c(O)ccc1C(O)=C(C(=O)Oc12)NC(=O)C=CC=CC=CC=CC(=O)OC3CC(OC(C)C3OC(=O)C)c8ccc7C(=O)C56OC6(C(O)CC4(O)CC(=CC(=O)C45O)C)C(O)c7c8O
InChi:	InChI=1S/C46H42ClNO18/c1-20-16-29(51)45(61)43(60,18-20)19-30(52)44-41(58)33-24(40(57)46(44,45)66-44)13-12-23(36(33)55)27-17-28(38(21(2)62-27)63-22(3)49)64-32(54)11-9-7-5-4-6-8-10-31(53)48-35-37(56)25-14-15-26(50)34(47)39(25)65-42(35)59/h4-16,21,27-28,30,38,41,50,52,55-56,58,60-61H,17-19H2,1-3H3,(H,48,53)/b6-4+,7-5+,10-8+,11-9+/t21-,27-,28-,30+,38-,41+,43-,44+,45-,46-/m1/s1
Definition date:	2009-06-19
Last modified:	2011-06-04
Identifier:	(1R)-4-O-acetyl-1,5-anhydro-3-O-{(2E,4E,6E,8E)-10-[(8-chloro-4,7-dihydroxy-2-oxo-2H-chromen-3-yl)amino]-10-oxodeca-2,4,6,8-tetraenoyl}-2,6-dideoxy-1-[(4aR,6S,6aS,7S,12aS,12bR)-4a,6,7,8,12b-pentahydroxy-3-methyl-1,12-dioxo-1,4,4a,5,6,7,12,12b-octahydro-6a,12a-epoxytetraphen-9-yl]-D-arabino-hexitol

SM9

SM9
Name:	N-(2-ethoxyethyl)-N-{(2S)-2-hydroxy-3-[(5R)-2-(quinazolin-4-yl)-2,7-diazaspiro[4.5]dec-7-yl]propyl}-2,6-dimethylbenzenesulfonamide
Formula:	C31 H43 N5 O4 S
SMILES:	O=S(=O)(c1c(cccc1C)C)N(CCOCC)CC(O)CN5CCCC4(CCN(c3ncnc2c3cccc2)C4)C5
InChi:	InChI=1S/C31H43N5O4S/c1-4-40-18-17-36(41(38,39)29-24(2)9-7-10-25(29)3)20-26(37)19-34-15-8-13-31(21-34)14-16-35(22-31)30-27-11-5-6-12-28(27)32-23-33-30/h5-7,9-12,23,26,37H,4,8,13-22H2,1-3H3/t26-,31+/m0/s1
Definition date:	2011-02-09
Last modified:	2011-06-04
Identifier:	N-(2-ethoxyethyl)-N-{(2S)-2-hydroxy-3-[(5R)-2-(quinazolin-4-yl)-2,7-diazaspiro[4.5]dec-7-yl]propyl}-2,6-dimethylbenzenesulfonamide

D1B

D1B
Name:	2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-2-THIENYL)-1H-BENZIMIDAZOLE-6- CARBOXIMIDAMIDE DIHYDROCHLORIDE
Formula:	C19 H16 N6 S
SMILES:	n2c1c(cc(C(=[N@H])N)cc1)nc2c3sc(cc3)c4ccc(C(=[N@H])N)cc4
InChi:	InChI=1S/C19H16N6S/c20-17(21)11-3-1-10(2-4-11)15-7-8-16(26-15)19-24-13-6-5-12(18(22)23)9-14(13)25-19/h1-9H,(H3,20,21)(H3,22,23)(H,24,25)
Definition date:	2004-05-19
Last modified:	2011-06-04
Identifier:	2-[5-(4-carbamimidoylphenyl)thiophen-2-yl]-1H-benzimidazole-6-carboximidamide

SMG

SMG
Name:	N-SUCCINYL METHIONINE
Formula:	C9 H15 N O5 S
SMILES:	O=C(NC(C(=O)O)CCSC)CCC(=O)O
InChi:	InChI=1S/C9H15NO5S/c1-16-5-4-6(9(14)15)10-7(11)2-3-8(12)13/h6H,2-5H2,1H3,(H,10,11)(H,12,13)(H,14,15)/t6-/m1/s1
Definition date:	2004-03-04
Last modified:	2011-06-04
Identifier:	N-(3-carboxypropanoyl)-D-methionine

SMM

SMM
Name:	S-ADENOSYLMETHIONINE METHYL ESTER
Formula:	C16 H26 N6 O5 S
SMILES:	O=C(OC)C(N)CCS(C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C16H26N6O5S/c1-26-16(25)8(17)3-4-28(2)5-9-11(23)12(24)15(27-9)22-7-21-10-13(18)19-6-20-14(10)22/h6-9,11-12,15,23-24,28H,3-5,17H2,1-2H3,(H2,18,19,20)/t8-,9+,11+,12+,15+/m0/s1
Definition date:	2001-03-13
Last modified:	2011-06-04
Identifier:	5'-[(S)-[(3S)-3-amino-4-methoxy-4-oxobutyl](methyl)-lambda~4~-sulfanyl]-5'-deoxyadenosine

SMN

SMN
Name:	(S)-MANDELIC ACID
Formula:	C8 H8 O3
SMILES:	O=C(O)C(O)c1ccccc1
InChi:	InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(2S)-hydroxy(phenyl)ethanoic acid

SMP

SMP
Name:	2'-DEOXY-ADENOSINE-5'-SP-MONOMETHYLPHOSPHONATE
Formula:	C11 H16 N5 O5 P
SMILES:	O=P(O)(OCC3OC(n2cnc1c(ncnc12)N)CC3O)C
InChi:	InChI=1S/C11H16N5O5P/c1-22(18,19)20-3-7-6(17)2-8(21-7)16-5-15-9-10(12)13-4-14-11(9)16/h4-8,17H,2-3H2,1H3,(H,18,19)(H2,12,13,14)/t6-,7+,8+/m0/s1
Definition date:	2001-10-09
Last modified:	2011-06-04
Identifier:	2'-deoxy-5'-O-[(R)-hydroxy(methyl)phosphoryl]adenosine

SMQ

SMQ
Name:	SIMOCYCLINONE C4
Formula:	C37 H38 O15
SMILES:	O=C(O)CCCCCCCCC(=O)OC1CC(OC(C)C1OC(=O)C)c6ccc5C(=O)C34OC4(C(O)CC2(O)CC(=CC(=O)C23O)C)C(O)c5c6O
InChi:	InChI=1S/C37H38O15/c1-18-14-25(39)36(48)34(47,16-18)17-26(40)35-33(46)29-22(32(45)37(35,36)52-35)13-12-21(30(29)44)23-15-24(31(19(2)49-23)50-20(3)38)51-28(43)11-9-7-5-4-6-8-10-27(41)42/h4-14,19,23-24,26,31,33,40,44,46-48H,15-17H2,1-3H3,(H,41,42)/b6-4+,7-5+,10-8+,11-9+/t19-,23-,24-,26+,31-,33+,34-,35+,36-,37-/m1/s1
Definition date:	2010-12-17
Last modified:	2011-06-04
Identifier:	(1R)-4-O-acetyl-1,5-anhydro-3-O-(9-carboxynonanoyl)-2,6-dideoxy-1-[(4aR,6S,6aS,7S,12aS,12bR)-4a,6,7,8,12b-pentahydroxy-3-methyl-1,12-dioxo-1,4,4a,5,6,7,12,12b-octahydro-6a,12a-epoxytetraphen-9-yl]-D-arabino-hexitol

8OD

8OD
Name:	[(2R,3S,4R,5R)-5-(6-azanyl-8-oxo-7H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate
Formula:	C10 H15 N5 O11 P2
SMILES:	O=P(O)(O)OP(=O)(O)OCC3OC(N2C(=O)Nc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C10H15N5O11P2/c11-7-4-8(13-2-12-7)15(10(18)14-4)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,14,18)(H,22,23)(H2,11,12,13)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1
Definition date:	2010-06-15
Last modified:	2011-06-04
Identifier:	8-oxoadenosine 5'-(trihydrogen diphosphate)

SN1

SN1
Name:	2,4-DIHYDROXY-TRANS CINNAMIC ACID
Formula:	C9 H8 O4
SMILES:	O=C(O)/C=C/c1ccc(O)cc1O
InChi:	InChI=1S/C9H8O4/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
Definition date:	2001-10-05
Last modified:	2011-06-04
Identifier:	(2E)-3-(2,4-dihydroxyphenyl)prop-2-enoic acid

8PC

8PC
Name:	2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN-2-YLMETHYL)PHENOL
Formula:	C18 H13 Cl2 N O2
SMILES:	Clc3ccc(Oc1ccc(cc1O)Cc2ncccc2)c(Cl)c3
InChi:	InChI=1S/C18H13Cl2NO2/c19-13-5-7-17(15(20)11-13)23-18-6-4-12(10-16(18)22)9-14-3-1-2-8-21-14/h1-8,10-11,22H,9H2
Definition date:	2007-04-25
Last modified:	2011-06-04
Identifier:	2-(2,4-dichlorophenoxy)-5-(pyridin-2-ylmethyl)phenol

8PS

8PS
Name:	5-OCTYL-2-PHENOXYPHENOL
Formula:	C20 H26 O2
SMILES:	O(c1ccccc1)c2ccc(cc2O)CCCCCCCC
InChi:	InChI=1S/C20H26O2/c1-2-3-4-5-6-8-11-17-14-15-20(19(21)16-17)22-18-12-9-7-10-13-18/h7,9-10,12-16,21H,2-6,8,11H2,1H3
Definition date:	2005-10-05
Last modified:	2011-06-04
Identifier:	5-octyl-2-phenoxyphenol

SOA

SOA
Name:	ISATOIC ANHYDRIDE
Formula:	C7 H9 N O
SMILES:	OCc1ccccc1N
InChi:	InChI=1S/C7H9NO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5,8H2
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(2-aminophenyl)methanol

SON

SON
Name:	ADENOSINE PHOSPHONOACETIC ACID
Formula:	C12 H16 N5 O8 P
SMILES:	O=P(O)(O)CC(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C12H16N5O8P/c13-10-7-11(15-3-14-10)17(4-16-7)12-9(20)8(19)5(25-12)1-24-6(18)2-26(21,22)23/h3-5,8-9,12,19-20H,1-2H2,(H2,13,14,15)(H2,21,22,23)/t5-,8-,9-,12-/m1/s1
Definition date:	2004-01-26
Last modified:	2011-06-04
Identifier:	5'-O-(phosphonoacetyl)adenosine

SOS

SOS
Name:	[(1R,2S,4R)-4-({2-AMINO-5-[BENZYL(FORMYL)AMINO]-6-OXO-1,6-DIHYDROPYRIMIDIN-4-YL}AMINO)-2-HYDROXYCYCLOPENTYL]METHYL DIHYDROGEN PHOSPHATE
Formula:	C18 H24 N5 O7 P
SMILES:	O=C2C(N(C=O)Cc1ccccc1)=C(N=C(N)N2)NC3CC(COP(=O)(O)O)C(O)C3
InChi:	InChI=1S/C18H24N5O7P/c19-18-21-16(20-13-6-12(14(25)7-13)9-30-31(27,28)29)15(17(26)22-18)23(10-24)8-11-4-2-1-3-5-11/h1-5,10,12-14,25H,6-9H2,(H2,27,28,29)(H4,19,20,21,22,26)/t12-,13-,14+/m1/s1
Definition date:	2007-01-23
Last modified:	2011-06-04
Identifier:	[(1R,2S,4R)-4-({2-amino-5-[benzyl(formyl)amino]-6-oxo-1,6-dihydropyrimidin-4-yl}amino)-2-hydroxycyclopentyl]methyl dihydrogen phosphate

SOT

SOT
Name:	morpholine-4-sulfonic acid
Formula:	C4 H9 N O4 S
SMILES:	O=S(=O)(O)N1CCOCC1
InChi:	InChI=1S/C4H9NO4S/c6-10(7,8)5-1-3-9-4-2-5/h1-4H2,(H,6,7,8)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	morpholine-4-sulfonic acid

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