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705

705
Name:	N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-propylaminopurin-9-yl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide
Formula:	C28 H29 F N6 O6
SMILES:	Fc1ccc(cc1)c2cc(c(O)c(O)c2)C(=O)NC/C=C/C5OC(n4cnc3c(ncnc34)NCCC)C(O)C5O
InChi:	InChI=1S/C28H29FN6O6/c1-2-9-30-25-21-26(33-13-32-25)35(14-34-21)28-24(39)23(38)20(41-28)4-3-10-31-27(40)18-11-16(12-19(36)22(18)37)15-5-7-17(29)8-6-15/h3-8,11-14,20,23-24,28,36-39H,2,9-10H2,1H3,(H,31,40)(H,30,32,33)/b4-3+/t20-,23-,24-,28-/m1/s1
Definition date:	2009-06-22
Last modified:	2011-06-04
Identifier:	N-propyl-9-[(5E)-5,6,7-trideoxy-7-{[(4'-fluoro-4,5-dihydroxybiphenyl-3-yl)carbonyl]amino}-beta-D-ribo-hept-5-enofuranosyl]-9H-purin-6-amine

708

708
Name:	3-[(E)-2-(2-chloro-4-{[3-{[(R)-(2,6-dichlorophenyl)(hydroxy)-lambda~4~-sulfanyl]methyl}-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid
Formula:	C29 H26 Cl3 N O5 S
SMILES:	O=C(O)c1cccc(c1)C=Cc4ccc(OCc2c(onc2CS(O)c3c(Cl)cccc3Cl)C(C)C)cc4Cl
InChi:	InChI=1S/C29H26Cl3NO5S/c1-17(2)27-22(26(33-38-27)16-39(36)28-23(30)7-4-8-24(28)31)15-37-21-12-11-19(25(32)14-21)10-9-18-5-3-6-20(13-18)29(34)35/h3-14,17,36,39H,15-16H2,1-2H3,(H,34,35)/b10-9+
Definition date:	2009-03-17
Last modified:	2011-06-04
Identifier:	3-[(E)-2-(2-chloro-4-{[3-{[(R)-(2,6-dichlorophenyl)(hydroxy)-lambda~4~-sulfanyl]methyl}-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid

70U

70U
Name:	5-(O-METHYLACETO)-2-THIO-2-DEOXY-URIDINE-5'-MONOPHOSPHATE
Formula:	C12 H17 N2 O10 P S
SMILES:	O=C(OC)CC=1C(=O)NC(=S)N(C=1)C2OC(C(O)C2O)COP(=O)(O)O
InChi:	InChI=1S/C12H17N2O10PS/c1-22-7(15)2-5-3-14(12(26)13-10(5)18)11-9(17)8(16)6(24-11)4-23-25(19,20)21/h3,6,8-9,11,16-17H,2,4H2,1H3,(H,13,18,26)(H2,19,20,21)/t6-,8-,9-,11-/m1/s1
Definition date:	2000-08-08
Last modified:	2011-06-04
Identifier:	5-(2-methoxy-2-oxoethyl)-1-(5-O-phosphono-beta-D-ribofuranosyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one

714

714
Name:	1-(2,2-diphosphonoethyl)-3-(octyloxy)pyridinium
Formula:	C15 H28 N O7 P2
SMILES:	O=P(O)(O)C(P(=O)(O)O)C[n+]1cccc(OCCCCCCCC)c1
InChi:	InChI=1S/C15H27NO7P2/c1-2-3-4-5-6-7-11-23-14-9-8-10-16(12-14)13-15(24(17,18)19)25(20,21)22/h8-10,12,15H,2-7,11,13H2,1H3,(H3-,17,18,19,20,21,22)/p+1
Definition date:	2008-09-11
Last modified:	2011-06-04
Identifier:	1-(2,2-diphosphonoethyl)-3-(octyloxy)pyridinium

717

717
Name:	imidazo[2,1-b][1,3]thiazol-6-ylmethanol
Formula:	C6 H6 N2 O S
SMILES:	n1c(cn2ccsc12)CO
InChi:	InChI=1S/C6H6N2OS/c9-4-5-3-8-1-2-10-6(8)7-5/h1-3,9H,4H2
Definition date:	2009-08-07
Last modified:	2011-06-04
Identifier:	imidazo[2,1-b][1,3]thiazol-6-ylmethanol

719

719
Name:	N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(2-hydroxyethylamino)purin-9-yl]oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide
Formula:	C27 H27 F N6 O7
SMILES:	Fc1ccc(cc1)c2cc(c(O)c(O)c2)C(=O)NC/C=C/C5OC(n4cnc3c(ncnc34)NCCO)C(O)C5O
InChi:	InChI=1S/C27H27FN6O7/c28-16-5-3-14(4-6-16)15-10-17(21(37)18(36)11-15)26(40)30-7-1-2-19-22(38)23(39)27(41-19)34-13-33-20-24(29-8-9-35)31-12-32-25(20)34/h1-6,10-13,19,22-23,27,35-39H,7-9H2,(H,30,40)(H,29,31,32)/b2-1+/t19-,22-,23-,27-/m1/s1
Definition date:	2009-06-22
Last modified:	2011-06-04
Identifier:	N-(2-hydroxyethyl)-9-[(5E)-5,6,7-trideoxy-7-{[(4'-fluoro-4,5-dihydroxybiphenyl-3-yl)carbonyl]amino}-beta-D-ribo-hept-5-enofuranosyl]-9H-purin-6-amine

721

721
Name:	3-butoxy-1-(2,2-diphosphonoethyl)pyridinium
Formula:	C11 H20 N O7 P2
SMILES:	O=P(O)(O)C(P(=O)(O)O)C[n+]1cccc(OCCCC)c1
InChi:	InChI=1S/C11H19NO7P2/c1-2-3-7-19-10-5-4-6-12(8-10)9-11(20(13,14)15)21(16,17)18/h4-6,8,11H,2-3,7,9H2,1H3,(H3-,13,14,15,16,17,18)/p+1
Definition date:	2008-07-30
Last modified:	2011-06-04
Identifier:	3-butoxy-1-(2,2-diphosphonoethyl)pyridinium

722

722
Name:	1-(2,2-diphosphonoethyl)-3-(heptyloxy)pyridinium
Formula:	C14 H26 N O7 P2
SMILES:	O=P(O)(O)C(P(=O)(O)O)C[n+]1cccc(OCCCCCCC)c1
InChi:	InChI=1S/C14H25NO7P2/c1-2-3-4-5-6-10-22-13-8-7-9-15(11-13)12-14(23(16,17)18)24(19,20)21/h7-9,11,14H,2-6,10,12H2,1H3,(H3-,16,17,18,19,20,21)/p+1
Definition date:	2008-09-12
Last modified:	2011-06-04
Identifier:	1-(2,2-diphosphonoethyl)-3-(heptyloxy)pyridinium

723

723
Name:	(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)acetic acid
Formula:	C17 H12 Cl N O3
SMILES:	OC(=O)CC1=C(c2ccccc2)c3cc(Cl)ccc3NC1=O
InChi:	InChI=1S/C17H12ClNO3/c18-11-6-7-14-12(8-11)16(10-4-2-1-3-5-10)13(9-15(20)21)17(22)19-14/h1-8H,9H2,(H,19,22)(H,20,21)
Definition date:	2010-02-19
Last modified:	2011-06-04
Identifier:	2-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)ethanoic acid

730

730
Name:	(S)-3-(3-(4-(2-GUANIDINOETHYL)PIPERIDIN-1-YL)-2-(NAPHTHALENE-2-SULFONAMIDO)-3-OXOPROPYL)BENZIMIDAMIDE
Formula:	C28 H35 N7 O3 S
SMILES:	O=C(N1CCC(CCNC(=[N@H])N)CC1)C(NS(=O)(=O)c3cc2ccccc2cc3)Cc4cc(C(=[N@H])N)ccc4
InChi:	InChI=1S/C28H35N7O3S/c29-26(30)23-7-3-4-20(16-23)17-25(27(36)35-14-11-19(12-15-35)10-13-33-28(31)32)34-39(37,38)24-9-8-21-5-1-2-6-22(21)18-24/h1-9,16,18-19,25,34H,10-15,17H2,(H3,29,30)(H4,31,32,33)/t25-/m0/s1
Definition date:	2006-05-03
Last modified:	2011-06-04
Identifier:	3-{(2S)-3-[4-(2-carbamimidamidoethyl)piperidin-1-yl]-2-[(naphthalen-2-ylsulfonyl)amino]-3-oxopropyl}benzenecarboximidamide

732

732
Name:	5-(4-chlorophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
Formula:	C20 H23 Cl N2 O3
SMILES:	O=C(c2oc(c1ccc(Cl)cc1)cc2)NC(C(=O)NC)C3CCCCC3
InChi:	InChI=1S/C20H23ClN2O3/c1-22-20(25)18(14-5-3-2-4-6-14)23-19(24)17-12-11-16(26-17)13-7-9-15(21)10-8-13/h7-12,14,18H,2-6H2,1H3,(H,22,25)(H,23,24)/t18-/m0/s1
Definition date:	2009-07-13
Last modified:	2011-06-04
Identifier:	5-(4-chlorophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide

736

736
Name:	(11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN-4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDINE
Formula:	C24 H29 Cl N4 O2 S
SMILES:	O=S(=O)(N5CCC(C4c1ccc(Cl)cc1C(N2CCNCC2)=Cc3cccnc34)CC5)C
InChi:	InChI=1S/C24H29ClN4O2S/c1-32(30,31)29-11-6-17(7-12-29)23-20-5-4-19(25)16-21(20)22(28-13-9-26-10-14-28)15-18-3-2-8-27-24(18)23/h2-5,8,15-17,23,26H,6-7,9-14H2,1H3/t23-/m0/s1
Definition date:	2005-10-27
Last modified:	2011-06-04
Identifier:	(11S)-8-chloro-11-[1-(methylsulfonyl)piperidin-4-yl]-6-piperazin-1-yl-11H-benzo[5,6]cyclohepta[1,2-b]pyridine

738

738
Name:	N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide
Formula:	C16 H13 F N2 O S
SMILES:	Fc1ccccc1C(=O)Nc2sc3c(c2C#N)CCCC3
InChi:	InChI=1S/C16H13FN2OS/c17-13-7-3-1-6-11(13)15(20)19-16-12(9-18)10-5-2-4-8-14(10)21-16/h1,3,6-7H,2,4-5,8H2,(H,19,20)
Definition date:	2006-12-07
Last modified:	2011-06-04
Identifier:	N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-fluorobenzamide

EA2

EA2
Name:	AMINOETHANOLPYROPHOSPHATE
Formula:	C2 H9 N O7 P2
SMILES:	O=P(O)(OP(=O)(OCCN)O)O
InChi:	InChI=1S/C2H9NO7P2/c3-1-2-9-12(7,8)10-11(4,5)6/h1-3H2,(H,7,8)(H2,4,5,6)
Definition date:	1999-10-01
Last modified:	2011-06-04
Identifier:	2-aminoethyl trihydrogen diphosphate

EAB

EAB
Name:	(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID
Formula:	C15 H15 N3 O2
SMILES:	O=C(O)Cc2cccc(/N=N/c1cccc(c1)CN)c2
InChi:	InChI=1S/C15H15N3O2/c16-10-12-4-2-6-14(8-12)18-17-13-5-1-3-11(7-13)9-15(19)20/h1-8H,9-10,16H2,(H,19,20)/b18-17+
Definition date:	2006-06-01
Last modified:	2011-06-04
Identifier:	(3-{(E)-[3-(aminomethyl)phenyl]diazenyl}phenyl)acetic acid

EAM

EAM
Name:	2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide
Formula:	C22 H22 Cl N5 O2
SMILES:	Clc4ccc(C1=NC(c3nnc(n3c2c1cc(OC)cc2)C)CC(=O)NCC)cc4
InChi:	InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1
Definition date:	2010-11-07
Last modified:	2011-06-04
Identifier:	2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide

EAP

EAP
Name:	2-AMINO-VINYL-PHOSPHATE
Formula:	C2 H6 N O4 P
SMILES:	O=P(OC=CN)(O)O
InChi:	InChI=1S/C2H6NO4P/c3-1-2-7-8(4,5)6/h1-2H,3H2,(H2,4,5,6)/b2-1+
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(E)-2-aminoethenyl dihydrogen phosphate

EC2

EC2
Name:	(2R,3R)-8-CYCLOPROPYL-7-(NAPHTHALEN-1-YLMETHYL)-5-OXO-2-PHENYL-2,3-DIHYDRO-5H-[1,3]THIAZOLO[3,2-A]PYRIDINE-3-CARBOXYLIC ACID
Formula:	C28 H23 N O3 S
SMILES:	O=C3C=C(C(=C2SC(c1ccccc1)C(N23)C(=O)O)C4CC4)Cc6c5ccccc5ccc6
InChi:	InChI=1S/C28H23NO3S/c30-23-16-21(15-20-11-6-10-17-7-4-5-12-22(17)20)24(18-13-14-18)27-29(23)25(28(31)32)26(33-27)19-8-2-1-3-9-19/h1-12,16,18,25-26H,13-15H2,(H,31,32)/t25-,26+/m0/s1
Definition date:	2010-05-30
Last modified:	2011-06-04
Identifier:	(2R,3R)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-2-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid

EC5

EC5
Name:	(2R)-2-[5-CYCLOPROPYL-6-(HYDROXYSULFANYL)-4-(NAPHTHALEN-1-YLMETHYL)-2-OXOPYRIDIN-1(2H)-YL]-3-PHENYLPROPANOIC ACID
Formula:	C28 H25 N O4 S
SMILES:	O=C(O)C(N1C(SO)=C(C(=CC1=O)Cc3c2ccccc2ccc3)C4CC4)Cc5ccccc5
InChi:	InChI=1S/C28H25NO4S/c30-25-17-22(16-21-11-6-10-19-9-4-5-12-23(19)21)26(20-13-14-20)27(34-33)29(25)24(28(31)32)15-18-7-2-1-3-8-18/h1-12,17,20,24,33H,13-16H2,(H,31,32)/t24-/m0/s1
Definition date:	2010-05-30
Last modified:	2011-06-04
Identifier:	(2R)-2-[5-cyclopropyl-6-(hydroxysulfanyl)-4-(naphthalen-1-ylmethyl)-2-oxopyridin-1(2H)-yl]-3-phenylpropanoic acid

ECA

ECA
Name:	N,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3-DIHYDROXYBENZAMIDE)
Formula:	C30 H27 N3 O9
SMILES:	O=C(c1cccc(O)c1O)NCc2cc(cc(c2)CNC(=O)c3cccc(O)c3O)CNC(=O)c4cccc(O)c4O
InChi:	InChI=1S/C30H27N3O9/c34-22-7-1-4-19(25(22)37)28(40)31-13-16-10-17(14-32-29(41)20-5-2-8-23(35)26(20)38)12-18(11-16)15-33-30(42)21-6-3-9-24(36)27(21)39/h1-12,34-39H,13-15H2,(H,31,40)(H,32,41)(H,33,42)
Definition date:	2006-03-16
Last modified:	2011-06-04
Identifier:	N,N',N''-(benzene-1,3,5-triyltrimethanediyl)tris(2,3-dihydroxybenzamide)

ECS

ECS
Name:	2,3,17BETA-TRIHYDROXY-1,3,5(10)-ESTRATRIENE
Formula:	C18 H24 O3
SMILES:	Oc1cc4c(cc1O)C3CCC2(C(CCC2O)C3CC4)C
InChi:	InChI=1S/C18H24O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,17,19-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1
Definition date:	2005-07-12
Last modified:	2011-06-04
Identifier:	(9beta,13alpha,14beta,17alpha)-estra-1,3,5(10)-triene-2,3,17-triol

EDA

EDA
Name:	3-[2-DEOXY-RIBOFURANOSYL]-3H-1,3,4,5A,8-PENTAAZA-AS-INDACENE-5'-MONOPHOSPHATE
Formula:	C12 H14 N5 O6 P
SMILES:	O=P(O)(O)OCC4OC(n3cnc1c3ncn2ccnc12)CC4O
InChi:	InChI=1S/C12H14N5O6P/c18-7-3-9(23-8(7)4-22-24(19,20)21)17-6-14-10-11-13-1-2-16(11)5-15-12(10)17/h1-2,5-9,18H,3-4H2,(H2,19,20,21)/t7-,8+,9+/m0/s1
Definition date:	2000-04-28
Last modified:	2011-06-04
Identifier:	3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3H-imidazo[2,1-i]purine

EDB

EDB
Name:	2-{3-[(5E)-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-3-thiophen-2-yl-2,5-dihydro-1H-pyrazol-1-yl]phenyl}acetamide
Formula:	C22 H17 Cl2 N5 O2 S
SMILES:	Clc1cccc(c1Cl)NC(=O)/N=C3/N(NC(c2sccc2)=C3)c4cc(ccc4)CC(=O)N
InChi:	InChI=1S/C22H17Cl2N5O2S/c23-15-6-2-7-16(21(15)24)26-22(31)27-20-12-17(18-8-3-9-32-18)28-29(20)14-5-1-4-13(10-14)11-19(25)30/h1-10,12,28H,11H2,(H2,25,30)(H,26,31)/b27-20+
Definition date:	2010-06-29
Last modified:	2011-06-04
Identifier:	2-{3-[(5E)-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-3-(thiophen-2-yl)-2,5-dihydro-1H-pyrazol-1-yl]phenyl}acetamide

EDE

EDE
Name:	EDEINE B
Formula:	C34 H59 N11 O10
SMILES:	O=C(NCCCNCCCCC(=[N@H])N)CNC(=O)CC(O)C(N)CCCC(C(=O)O)NC(=O)C(NC(=O)C(O)CNC(=O)CC(N)c1ccc(O)cc1)CN
InChi:	InChI=1S/C34H59N11O10/c35-17-25(45-33(53)27(48)18-42-29(49)15-23(37)20-8-10-21(46)11-9-20)32(52)44-24(34(54)55)6-3-5-22(36)26(47)16-30(50)43-19-31(51)41-14-4-13-40-12-2-1-7-28(38)39/h8-11,22-27,40,46-48H,1-7,12-19,35-37H2,(H3,38,39)(H,41,51)(H,42,49)(H,43,50)(H,44,52)(H,45,53)(H,54,55)/t22-,23-,24+,25-,26+,27-/m0/s1
Definition date:	2001-04-03
Last modified:	2011-06-04
Identifier:	(2R,6S,7R)-6-amino-2-({3-amino-N-[(2S)-3-{[(3S)-3-amino-3-(4-hydroxyphenyl)propanoyl]amino}-2-hydroxypropanoyl]-L-alanyl}amino)-9-({2-[(3-{[(5E)-5-amino-5-iminopentyl]amino}propyl)amino]-2-oxoethyl}amino)-7-hydroxy-9-oxononanoic acid

EDR

EDR
Name:	EDROPHONIUM ION
Formula:	C10 H16 N O
SMILES:	Oc1cccc(c1)[N+](C)(CC)C
InChi:	InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	N-ethyl-3-hydroxy-N,N-dimethylanilinium

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