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EL
Name:	ELLIPTICINE
Formula:	C17 H15 N2
SMILES:	c1cccc4c1c2c(c(c3c(c2C)c[nH+]cc3)C)n4
InChi:	InChI=1S/C17H14N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9,19H,1-2H3/p+1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium

ELI

ELI
Name:	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-2-YL)HEXANOIC ACID
Formula:	C17 H18 O4
SMILES:	O=C2c1c(cccc1)C(=O)C(=C2C)CCCCCC(=O)O
InChi:	InChI=1S/C17H18O4/c1-11-12(7-3-2-4-10-15(18)19)17(21)14-9-6-5-8-13(14)16(11)20/h5-6,8-9H,2-4,7,10H2,1H3,(H,18,19)
Definition date:	2006-04-06
Last modified:	2011-06-04
Identifier:	6-(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)hexanoic acid

EMB

EMB
Name:	METHYL-CARBAMIC ACID ETHYL ESTER
Formula:	C4 H9 N O2
SMILES:	O=C(OCC)NC
InChi:	InChI=1S/C4H9NO2/c1-3-7-4(6)5-2/h3H2,1-2H3,(H,5,6)
Definition date:	1999-10-22
Last modified:	2011-06-04
Identifier:	ethyl methylcarbamate

EMR

EMR
Name:	N-AMINOETHYLMORPHOLINE
Formula:	C6 H14 N2 O
SMILES:	O1CCN(CCN)CC1
InChi:	InChI=1S/C6H14N2O/c7-1-2-8-3-5-9-6-4-8/h1-7H2
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	2-morpholin-4-ylethanamine

EN1

EN1
Name:	(2E)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid
Formula:	C9 H8 O4
SMILES:	O=C(O)C(/O)=Cc1ccc(O)cc1
InChi:	InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-5,10-11H,(H,12,13)/b8-5+
Definition date:	2009-09-11
Last modified:	2011-06-04
Identifier:	(2E)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid

END

END
Name:	1,6:5,9:8,12:11,16-TETRAANHYDRO-2,3,4,10,13,14-HEXADEOXY-D-GLYCERO-D-ALLO-D-GULO-HEPTADECA-2,13-DIENITOL
Formula:	C17 H24 O7
SMILES:	O2C(C(O)C=CC3OC1C(O)C4OCC=CCC4OC1CC23)CO
InChi:	InChI=1S/C17H24O7/c18-8-14-9(19)4-5-10-12(23-14)7-13-17(24-10)15(20)16-11(22-13)3-1-2-6-21-16/h1-2,4-5,9-20H,3,6-8H2/t9-,10+,11-,12-,13+,14+,15+,16-,17+/m0/s1
Definition date:	2007-10-03
Last modified:	2011-06-04
Identifier:	1,6:5,9:8,12:11,16-tetraanhydro-2,3,4,10,13,14-hexadeoxy-D-glycero-D-allo-D-gulo-heptadeca-2,13-dienitol

ENE

ENE
Name:	(4Z)-2,8:7,12:11,15:14,18:17,22-PENTAANHYDRO-4,5,6,9,10,13,19,20,21-NONADEOXY-D-ARABINO-D-ALLO-D-ALLO-DOCOSA-4,9,20-TRIENITOL
Formula:	C22 H30 O8
SMILES:	O3C1C(OC(CO)C(O)C=CC1)C=CC4OC2C(O)C5OCC=CCC5OC2CC34
InChi:	InChI=1S/C22H30O8/c23-11-19-12(24)4-3-6-13-14(28-19)7-8-15-17(27-13)10-18-22(30-15)20(25)21-16(29-18)5-1-2-9-26-21/h1-4,7-8,12-25H,5-6,9-11H2/b4-3-/t12-,13+,14-,15+,16-,17-,18+,19+,20+,21-,22+/m0/s1
Definition date:	2007-10-03
Last modified:	2011-06-04
Identifier:	(4Z)-2,8:7,12:11,15:14,18:17,22-pentaanhydro-4,5,6,9,10,13,19,20,21-nonadeoxy-L-arabino-L-allo-L-allo-docosa-4,9,20-trienitol

ENP

ENP
Name:	ETHENO-NADP
Formula:	C17 H24 N5 O17 P3
SMILES:	O=P(O)(O)OC4C(O)C(OC4n2c3ncn1ccnc1c3nc2)COP(=O)(O)OP(=O)(O)OCC5OC(O)C(O)C5O
InChi:	InChI=1S/C17H24N5O17P3/c23-10-7(37-17(26)12(10)25)3-34-41(30,31)39-42(32,33)35-4-8-11(24)13(38-40(27,28)29)16(36-8)22-6-19-9-14-18-1-2-21(14)5-20-15(9)22/h1-2,5-8,10-13,16-17,23-26H,3-4H2,(H,30,31)(H,32,33)(H2,27,28,29)/t7-,8-,10-,11-,12-,13-,16-,17-/m1/s1
Definition date:	2001-12-06
Last modified:	2011-06-04
Identifier:	[(2R,3R,4R,5R)-3-hydroxy-5-(3H-imidazo[2,1-i]purin-3-yl)-4-(phosphonooxy)tetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)

ENT

ENT
Name:	3(R)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER
Formula:	C16 H23 N3 O6 S
SMILES:	O=S(=O)(O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C(C(=O)NC)C2
InChi:	InChI=1S/C16H23N3O6S/c1-16(2,3)25-15(21)19-9-11-7-12(18-26(22,23)24)6-5-10(11)8-13(19)14(20)17-4/h5-7,13,18H,8-9H2,1-4H3,(H,17,20)(H,22,23,24)/t13-/m1/s1
Definition date:	2005-12-01
Last modified:	2011-06-04
Identifier:	[(3R)-2-(tert-butoxycarbonyl)-3-(methylcarbamoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]sulfamic acid

EOA

EOA
Name:	N-PHENETHYL-FORMAMIDE
Formula:	C9 H11 N O
SMILES:	O=CNCCc1ccccc1
InChi:	InChI=1S/C9H11NO/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,10,11)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	N-(2-phenylethyl)formamide

EOT

EOT
Name:	[(1-[(BIS-CARBOXYMETHYL-AMINO)-METHYL]-2-{4-[3-(2-HYDROXY-ETHYL)-THIOUREIDO]-PHENY}-ETHYL)-CARBOXYMETHYL-AMINO]-ACETIC ACID
Formula:	C20 H28 N4 O9 S
SMILES:	S=C(Nc1ccc(cc1)CC(N(CC(=O)O)CC(=O)O)CN(CC(=O)O)CC(=O)O)NCCO
InChi:	InChI=1S/C20H28N4O9S/c25-6-5-21-20(34)22-14-3-1-13(2-4-14)7-15(24(11-18(30)31)12-19(32)33)8-23(9-16(26)27)10-17(28)29/h1-4,15,25H,5-12H2,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H2,21,22,34)/t15-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	2,2',2'',2'''-{[(2S)-3-(4-{[(2-hydroxyethyl)carbamothioyl]amino}phenyl)propane-1,2-diyl]dinitrilo}tetraacetic acid

EOZ

EOZ
Name:	3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACID
Formula:	C11 H14 N2 O10 P2
SMILES:	O=C(Nc1cc(cc(c1)NC(=O)CP(=O)(O)O)C(=O)O)CP(=O)(O)O
InChi:	InChI=1S/C11H14N2O10P2/c14-9(4-24(18,19)20)12-7-1-6(11(16)17)2-8(3-7)13-10(15)5-25(21,22)23/h1-3H,4-5H2,(H,12,14)(H,13,15)(H,16,17)(H2,18,19,20)(H2,21,22,23)
Definition date:	2006-02-17
Last modified:	2011-06-04
Identifier:	3,5-bis[(phosphonoacetyl)amino]benzoic acid

EP1

EP1
Name:	3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PROPANE-1-SULFONIC ACID
Formula:	C9 H20 N2 O4 S
SMILES:	O=S(=O)(O)CCCN1CCN(CCO)CC1
InChi:	InChI=1S/C9H20N2O4S/c12-8-7-11-5-3-10(4-6-11)2-1-9-16(13,14)15/h12H,1-9H2,(H,13,14,15)
Definition date:	2003-11-20
Last modified:	2011-06-04
Identifier:	3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid

EPO

EPO
Name:	(2R,3R)-oxirane-2,3-dicarboxylic acid
Formula:	C4 H4 O5
SMILES:	O=C(O)C1OC1C(=O)O
InChi:	InChI=1S/C4H4O5/c5-3(6)1-2(9-1)4(7)8/h1-2H,(H,5,6)(H,7,8)/t1-,2-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(2R,3R)-oxirane-2,3-dicarboxylic acid

EPY

EPY
Name:	1-HYDROXY-2-S-GLUTATHIONYL-3-PARA-NITROPHENOXY-PROPANE
Formula:	C19 H26 N4 O10 S
SMILES:	O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC(COc1ccc(cc1)[N+]([O-])=O)CO
InChi:	InChI=1S/C19H26N4O10S/c20-14(19(29)30)5-6-16(25)22-15(18(28)21-7-17(26)27)10-34-13(8-24)9-33-12-3-1-11(2-4-12)23(31)32/h1-4,13-15,24H,5-10,20H2,(H,21,28)(H,22,25)(H,26,27)(H,29,30)/t13-,14-,15-/m0/s1
Definition date:	2000-02-10
Last modified:	2011-06-04
Identifier:	L-gamma-glutamyl-S-{(1S)-2-hydroxy-1-[(4-nitrophenoxy)methyl]ethyl}-L-cysteinylglycine

4SU

4SU
Name:	4-THIOURIDINE-5'-MONOPHOSPHATE
Formula:	C9 H13 N2 O8 P S
SMILES:	S=C1NC(=O)N(C=C1)C2OC(C(O)C2O)COP(=O)(O)O
InChi:	InChI=1S/C9H13N2O8PS/c12-6-4(3-18-20(15,16)17)19-8(7(6)13)11-2-1-5(21)10-9(11)14/h1-2,4,6-8,12-13H,3H2,(H,10,14,21)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	1-(5-O-phosphono-beta-D-ribofuranosyl)-4-thioxo-3,4-dihydropyrimidin-2(1H)-one

4TC

4TC
Name:	P1-(5'-ADENOSINE)P4-(5'-URIDINE)-BETA,GAMMA-METHYLENE TETRAPHOSPHATE
Formula:	C20 H29 N7 O20 P4
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)C[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)N5C=CC(=O)NC5=O)[CH](O)[CH]3O
InChi:	InChI=1S/C20H29N7O20P4/c21-16-11-17(23-5-22-16)27(6-24-11)19-15(32)13(30)9(45-19)4-43-51(40,41)47-49(36,37)7-48(34,35)46-50(38,39)42-3-8-12(29)14(31)18(44-8)26-2-1-10(28)25-20(26)33/h1-2,5-6,8-9,12-15,18-19,29-32H,3-4,7H2,(H,34,35)(H,36,37)(H,38,39)(H,40,41)(H2,21,22,23)(H,25,28,33)/t8-,9-,12-,13-,14-,15-,18-,19-/m1/s1
Definition date:	2006-09-01
Last modified:	2011-06-04
Identifier:	[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]methyl-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-phosphinic acid

4UB

4UB
Name:	3-PHENYL-6-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE
Formula:	C15 H11 N5
SMILES:	n3cc2ncc(c1ccccc1)n2cc3c4cnnc4
InChi:	InChI=1S/C15H11N5/c1-2-4-11(5-3-1)14-8-17-15-9-16-13(10-20(14)15)12-6-18-19-7-12/h1-10H,(H,18,19)
Definition date:	2010-05-19
Last modified:	2011-06-04
Identifier:	3-phenyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazine

4UN

4UN
Name:	{4-[2,2-BIS(5-METHYL-1,2,4-OXADIAZOL-3-YL)-3-PHENYLPROPYL]PHENYL}SULFAMIC ACID
Formula:	C21 H21 N5 O5 S
SMILES:	O=S(=O)(O)Nc1ccc(cc1)CC(c2nc(on2)C)(c3nc(on3)C)Cc4ccccc4
InChi:	InChI=1S/C21H21N5O5S/c1-14-22-19(24-30-14)21(20-23-15(2)31-25-20,12-16-6-4-3-5-7-16)13-17-8-10-18(11-9-17)26-32(27,28)29/h3-11,26H,12-13H2,1-2H3,(H,27,28,29)
Definition date:	2006-05-16
Last modified:	2011-06-04
Identifier:	{4-[2,2-bis(5-methyl-1,2,4-oxadiazol-3-yl)-3-phenylpropyl]phenyl}sulfamic acid

501

501
Name:	N7-BUTYL-N2-(5-CHLORO-2-METHYLPHENYL)-5-METHYL[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-2,7-DIAMINE
Formula:	C17 H21 Cl N6
SMILES:	Clc1cc(c(cc1)C)Nc2nc3nc(cc(n3n2)NCCCC)C
InChi:	InChI=1S/C17H21ClN6/c1-4-5-8-19-15-9-12(3)20-17-22-16(23-24(15)17)21-14-10-13(18)7-6-11(14)2/h6-7,9-10,19H,4-5,8H2,1-3H3,(H,21,23)
Definition date:	2005-05-03
Last modified:	2011-06-04
Identifier:	N~7~-butyl-N~2~-(5-chloro-2-methylphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine

509

509
Name:	4-BROMO-3-(CARBOXYMETHOXY)-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID
Formula:	C13 H9 Br O5 S
SMILES:	O=C(O)c2sc(c1ccccc1)c(Br)c2OCC(=O)O
InChi:	InChI=1S/C13H9BrO5S/c14-9-10(19-6-8(15)16)12(13(17)18)20-11(9)7-4-2-1-3-5-7/h1-5H,6H2,(H,15,16)(H,17,18)
Definition date:	2006-05-30
Last modified:	2011-06-04
Identifier:	4-bromo-3-(carboxymethoxy)-5-phenylthiophene-2-carboxylic acid

50X

50X
Name:	(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
Formula:	C28 H26 Cl F3 N4 O4 S
SMILES:	O[CH]([CH](O)C(=O)N1CCC[CH]1c2cccc(Cl)c2)C(=O)NCc3sc(Cn4c5ccccc5nc4C(F)(F)F)cc3
InChi:	InChI=1S/C28H26ClF3N4O4S/c29-17-6-3-5-16(13-17)21-9-4-12-35(21)26(40)24(38)23(37)25(39)33-14-18-10-11-19(41-18)15-36-22-8-2-1-7-20(22)34-27(36)28(30,31)32/h1-3,5-8,10-11,13,21,23-24,37-38H,4,9,12,14-15H2,(H,33,39)/t21-,23-,24-/m1/s1
Definition date:	2010-01-22
Last modified:	2011-06-04
Identifier:	(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]thiophen-2-yl]methyl]butanamide

512

512
Name:	4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID
Formula:	C7 H5 Br O5 S
SMILES:	Brc1c(OCC(=O)O)c(sc1)C(=O)O
InChi:	InChI=1S/C7H5BrO5S/c8-3-2-14-6(7(11)12)5(3)13-1-4(9)10/h2H,1H2,(H,9,10)(H,11,12)
Definition date:	2006-06-14
Last modified:	2011-06-04
Identifier:	4-bromo-3-(carboxymethoxy)thiophene-2-carboxylic acid

516

516
Name:	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
Formula:	C29 H36 N4 O2 S
SMILES:	O=C(NC(C(=O)N1CCCC1c2nc(cs2)c4c3ccccc3ccc4)C5CCCCC5)C(NC)C
InChi:	InChI=1S/C29H36N4O2S/c1-19(30-2)27(34)32-26(21-11-4-3-5-12-21)29(35)33-17-9-16-25(33)28-31-24(18-36-28)23-15-8-13-20-10-6-7-14-22(20)23/h6-8,10,13-15,18-19,21,25-26,30H,3-5,9,11-12,16-17H2,1-2H3,(H,32,34)/t19-,25-,26-/m0/s1
Definition date:	2009-04-15
Last modified:	2011-06-04
Identifier:	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

51U

51U
Name:	D-phenylalanyl-N-(3-methylbenzyl)-L-prolinamide
Formula:	C22 H27 N3 O2
SMILES:	O=C(NCc1cccc(c1)C)C3N(C(=O)C(N)Cc2ccccc2)CCC3
InChi:	InChI=1S/C22H27N3O2/c1-16-7-5-10-18(13-16)15-24-21(26)20-11-6-12-25(20)22(27)19(23)14-17-8-3-2-4-9-17/h2-5,7-10,13,19-20H,6,11-12,14-15,23H2,1H3,(H,24,26)/t19-,20+/m1/s1
Definition date:	2007-12-18
Last modified:	2011-06-04
Identifier:	D-phenylalanyl-N-(3-methylbenzyl)-L-prolinamide

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