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WW8

WW8
Name:	N-[(3S)-1-({6-chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1H-imidazol-5-yl]-1H-indol-2-yl}carbonyl)pyrrolidin-3-yl]-N,N',N'-trimethylpropane-1,3-diamine
Formula:	C35 H38 Cl2 N6 O
SMILES:	CN(C)CCCN(C)[CH]1CCN(C1)C(=O)c2[nH]c3cc(Cl)ccc3c2c4n(Cc5ccc(Cl)cc5)cnc4c6ccccc6
InChi:	InChI=1S/C35H38Cl2N6O/c1-40(2)17-7-18-41(3)28-16-19-42(22-28)35(44)33-31(29-15-14-27(37)20-30(29)39-33)34-32(25-8-5-4-6-9-25)38-23-43(34)21-24-10-12-26(36)13-11-24/h4-6,8-15,20,23,28,39H,7,16-19,21-22H2,1-3H3/t28-/m0/s1
Definition date:	2010-01-25
Last modified:	2011-06-04
Identifier:	[6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenyl-imidazol-4-yl]-1H-indol-2-yl]-[(3S)-3-[3-(dimethylamino)propyl-methyl-amino]pyrrolidin-1-yl]methanone

ZXG

ZXG
Name:	2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenyl hydrogen sulfate
Formula:	C15 H12 Br4 O5 S
SMILES:	Brc1cc(cc(Br)c1OS(=O)(=O)O)C(c2cc(Br)c(O)c(Br)c2)(C)C
InChi:	InChI=1S/C15H12Br4O5S/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(12(19)6-8)24-25(21,22)23/h3-6,20H,1-2H3,(H,21,22,23)
Definition date:	2010-11-05
Last modified:	2011-06-04
Identifier:	2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenyl hydrogen sulfate

VHD

VHD
Name:	4-(1,3-DIHYDRO-2H-ISOINDOL-2-YLCARBONYL)-6-(1-METHYLETHYL)BENZENE-1,3-DIOL
Formula:	C18 H19 N O3
SMILES:	O=C(c1cc(c(O)cc1O)C(C)C)N3Cc2ccccc2C3
InChi:	InChI=1S/C18H19NO3/c1-11(2)14-7-15(17(21)8-16(14)20)18(22)19-9-12-5-3-4-6-13(12)10-19/h3-8,11,20-21H,9-10H2,1-2H3
Definition date:	2010-03-30
Last modified:	2011-06-04
Identifier:	4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)-6-(1-methylethyl)benzene-1,3-diol

ZGB

ZGB
Name:	3-(4-methoxy-3-methylphenyl)propanoic acid
Formula:	C11 H14 O3
SMILES:	O=C(O)CCc1ccc(OC)c(c1)C
InChi:	InChI=1S/C11H14O3/c1-8-7-9(4-6-11(12)13)3-5-10(8)14-2/h3,5,7H,4,6H2,1-2H3,(H,12,13)
Definition date:	2010-11-15
Last modified:	2011-06-04
Identifier:	3-(4-methoxy-3-methylphenyl)propanoic acid

ZGC

ZGC
Name:	3-(4-methoxyphenyl)propanoic acid
Formula:	C10 H12 O3
SMILES:	O=C(O)CCc1ccc(OC)cc1
InChi:	InChI=1S/C10H12O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-3,5-6H,4,7H2,1H3,(H,11,12)
Definition date:	2010-11-15
Last modified:	2011-06-04
Identifier:	3-(4-methoxyphenyl)propanoic acid

HHI

HHI
Name:	(2Z)-3-(1H-imidazol-5-yl)-2-iminopropanoic acid
Formula:	C6 H7 N3 O2
SMILES:	O=C(O)C(=[N@H])Cc1cncn1
InChi:	InChI=1S/C6H7N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,7H,1H2,(H,8,9)(H,10,11)/b7-5+
Definition date:	2010-07-20
Last modified:	2011-06-04
Identifier:	(2Z)-3-(1H-imidazol-5-yl)-2-iminopropanoic acid

WWV

WWV
Name:	4-({[2-(1-methylethyl)phenyl]carbamoyl}amino)benzenesulfonamide
Formula:	C16 H19 N3 O3 S
SMILES:	O=S(=O)(N)c2ccc(NC(=O)Nc1ccccc1C(C)C)cc2
InChi:	InChI=1S/C16H19N3O3S/c1-11(2)14-5-3-4-6-15(14)19-16(20)18-12-7-9-13(10-8-12)23(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20)
Definition date:	2010-05-26
Last modified:	2011-06-04
Identifier:	4-({[2-(propan-2-yl)phenyl]carbamoyl}amino)benzenesulfonamide

UN5

UN5
Name:	{3(S)-METHYLCARBAMOYL-2-[3-(3-SULFOAMINO-PHENYL)-PROPIONYL]-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-7-YL}-SULFAMIC ACID
Formula:	C20 H24 N4 O8 S2
SMILES:	O=S(=O)(O)Nc1cccc(c1)CCC(=O)N3C(C(=O)NC)Cc2c(cc(cc2)NS(=O)(=O)O)C3
InChi:	InChI=1S/C20H24N4O8S2/c1-21-20(26)18-11-14-6-7-17(23-34(30,31)32)10-15(14)12-24(18)19(25)8-5-13-3-2-4-16(9-13)22-33(27,28)29/h2-4,6-7,9-10,18,22-23H,5,8,11-12H2,1H3,(H,21,26)(H,27,28,29)(H,30,31,32)/t18-/m0/s1
Definition date:	2005-12-01
Last modified:	2011-06-04
Identifier:	(3-{3-[(3S)-3-(methylcarbamoyl)-7-(sulfoamino)-3,4-dihydroisoquinolin-2(1H)-yl]-3-oxopropyl}phenyl)sulfamic acid

UN6

UN6
Name:	(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-METHYL}-PHENYL)-SULFAMIC ACID
Formula:	C16 H19 N3 O7 S2
SMILES:	O=S(=O)(O)Nc1cc(ccc1)CNC(=O)CCc2cccc(NS(=O)(=O)O)c2
InChi:	InChI=1S/C16H19N3O7S2/c20-16(8-7-12-3-1-5-14(9-12)18-27(21,22)23)17-11-13-4-2-6-15(10-13)19-28(24,25)26/h1-6,9-10,18-19H,7-8,11H2,(H,17,20)(H,21,22,23)(H,24,25,26)
Definition date:	2005-12-02
Last modified:	2011-06-04
Identifier:	[3-(3-oxo-3-{[3-(sulfoamino)benzyl]amino}propyl)phenyl]sulfamic acid

VX6

VX6
Name:	CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE
Formula:	C23 H28 N8 O S
SMILES:	O=C(Nc4ccc(Sc2nc(N1CCN(C)CC1)cc(n2)Nc3cc(nn3)C)cc4)C5CC5
InChi:	InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
Definition date:	2005-12-08
Last modified:	2011-06-04
Identifier:	N-[4-({4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1H-pyrazol-5-yl)amino]pyrimidin-2-yl}sulfanyl)phenyl]cyclopropanecarboxamide

V20

V20
Name:	N6^-[(1R)-2-[(1S)-1-CARBOXY-2-(METHYLSULFANYL)ETHOXY]-2-OXO-1-(SULFANYLMETHYL)ETHYL]-6-OXO-L-LYSINE
Formula:	C13 H22 N2 O7 S2
SMILES:	O=C(O)C(OC(=O)C(NC(=O)CCCC(C(=O)O)N)CS)CSC
InChi:	InChI=1S/C13H22N2O7S2/c1-24-6-9(12(19)20)22-13(21)8(5-23)15-10(16)4-2-3-7(14)11(17)18/h7-9,23H,2-6,14H2,1H3,(H,15,16)(H,17,18)(H,19,20)/t7-,8-,9+/m0/s1
Definition date:	2007-09-04
Last modified:	2011-06-04
Identifier:	N~6~-[(1R)-2-[(1S)-1-carboxy-2-(methylsulfanyl)ethoxy]-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-L-lysine

HI5

HI5
Name:	2-(BUTYRYLOXY)-1-{[(TETRAHYDROXYPHOSPHORANYL)OXY]METHYL}ETHYL BUTYRATE
Formula:	C11 H23 O9 P
SMILES:	O=C(OCC(OC(=O)CCC)COP(O)(O)(O)O)CCC
InChi:	InChI=1S/C11H23O9P/c1-3-5-10(12)18-7-9(20-11(13)6-4-2)8-19-21(14,15,16)17/h9,14-17H,3-8H2,1-2H3/t9-/m1/s1
Definition date:	2004-04-02
Last modified:	2011-06-04
Identifier:	(2R)-3-[(tetrahydroxy-lambda~5~-phosphanyl)oxy]propane-1,2-diyl dibutanoate

UNN

UNN
Name:	(6,7-DIFLUORO-QUINAZOLIN-4-YL)-(1-METHYL-2,2-DIPHENYL-ETHYL)-AMINE
Formula:	C23 H19 F2 N3
SMILES:	Fc4cc1c(ncnc1NC(C)C(c2ccccc2)c3ccccc3)cc4F
InChi:	InChI=1S/C23H19F2N3/c1-15(22(16-8-4-2-5-9-16)17-10-6-3-7-11-17)28-23-18-12-19(24)20(25)13-21(18)26-14-27-23/h2-15,22H,1H3,(H,26,27,28)/t15-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	6,7-difluoro-N-[(1S)-1-methyl-2,2-diphenylethyl]quinazolin-4-amine

ZYN

ZYN
Name:	6-(3-chloro-4-fluorobenzyl)-4-hydroxy-N,N-dimethyl-2-(1-methylethyl)-3,5-dioxo-2,3,5,6,7,8-hexahydro-2,6-naphthyridine-1-carboxamide
Formula:	C21 H23 Cl F N3 O4
SMILES:	Fc1ccc(cc1Cl)CN3C(=O)C2=C(O)C(=O)N(C(=C2CC3)C(=O)N(C)C)C(C)C
InChi:	InChI=1S/C21H23ClFN3O4/c1-11(2)26-17(20(29)24(3)4)13-7-8-25(19(28)16(13)18(27)21(26)30)10-12-5-6-15(23)14(22)9-12/h5-6,9,11,27H,7-8,10H2,1-4H3
Definition date:	2010-10-04
Last modified:	2011-06-04
Identifier:	6-(3-chloro-4-fluorobenzyl)-4-hydroxy-N,N-dimethyl-3,5-dioxo-2-(propan-2-yl)-2,3,5,6,7,8-hexahydro-2,6-naphthyridine-1-carboxamide

UNT

UNT
Name:	(2S)-3-{4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl}-2-(2H-1,2,3-triazol-2-yl)propanoic acid
Formula:	C24 H24 N4 O3
SMILES:	O=C(O)C(n1nccn1)Cc2ccc(cc2)CCCc3nc(oc3C)c4ccccc4
InChi:	InChI=1S/C24H24N4O3/c1-17-21(27-23(31-17)20-7-3-2-4-8-20)9-5-6-18-10-12-19(13-11-18)16-22(24(29)30)28-25-14-15-26-28/h2-4,7-8,10-15,22H,5-6,9,16H2,1H3,(H,29,30)/t22-/m0/s1
Definition date:	2009-07-15
Last modified:	2011-06-04
Identifier:	(2S)-3-{4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl}-2-(2H-1,2,3-triazol-2-yl)propanoic acid

XDH

XDH
Name:	4,4'-propane-2,2-diylbis(2,6-dichlorophenol)
Formula:	C15 H12 Cl4 O2
SMILES:	Clc1cc(cc(Cl)c1O)C(c2cc(Cl)c(O)c(Cl)c2)(C)C
InChi:	InChI=1S/C15H12Cl4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3
Definition date:	2010-09-10
Last modified:	2011-06-04
Identifier:	4,4'-propane-2,2-diylbis(2,6-dichlorophenol)

XDI

XDI
Name:	4,4'-propane-2,2-diylbis(2,6-dibromophenol)
Formula:	C15 H12 Br4 O2
SMILES:	Brc1cc(cc(Br)c1O)C(c2cc(Br)c(O)c(Br)c2)(C)C
InChi:	InChI=1S/C15H12Br4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3
Definition date:	2010-09-13
Last modified:	2011-06-04
Identifier:	4,4'-propane-2,2-diylbis(2,6-dibromophenol)

HIN

HIN
Name:	(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-CHLOROETHYLKETONE
Formula:	C16 H21 Cl N2 O3
SMILES:	ClCCC(=O)C(NC(=O)C(NC(=O)C)C)Cc1ccccc1
InChi:	InChI=1S/C16H21ClN2O3/c1-11(18-12(2)20)16(22)19-14(15(21)8-9-17)10-13-6-4-3-5-7-13/h3-7,11,14H,8-10H2,1-2H3,(H,18,20)(H,19,22)/t11-,14-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	N~2~-acetyl-N-[(1S)-1-benzyl-4-chloro-2-oxobutyl]-L-alaninamide

HIO

HIO
Name:	N-HYDROXY-N-ISOPROPYLOXAMIC ACID
Formula:	C5 H9 N O4
SMILES:	O=C(O)C(=O)N(O)C(C)C
InChi:	InChI=1S/C5H9NO4/c1-3(2)6(10)4(7)5(8)9/h3,10H,1-2H3,(H,8,9)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	[hydroxy(1-methylethyl)amino](oxo)acetic acid

ZYY

ZYY
Name:	N-[(6S)-2-(4-fluorobenzyl)-10-hydroxy-6-methyl-8-(1-methylethyl)-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazin-4-yl]-N-methylmethanesulfonamide
Formula:	C22 H26 F N5 O5 S
SMILES:	O=S(=O)(N(C3=NN(C(=O)c2c3n1c(C(=O)N(CC1C)C(C)C)c2O)Cc4ccc(F)cc4)C)C
InChi:	InChI=1S/C22H26FN5O5S/c1-12(2)26-10-13(3)28-17-16(19(29)18(28)22(26)31)21(30)27(11-14-6-8-15(23)9-7-14)24-20(17)25(4)34(5,32)33/h6-9,12-13,29H,10-11H2,1-5H3/t13-/m0/s1
Definition date:	2010-10-04
Last modified:	2011-06-04
Identifier:	N-[(6S)-2-(4-fluorobenzyl)-10-hydroxy-6-methyl-1,9-dioxo-8-(propan-2-yl)-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazin-4-yl]-N-methylmethanesulfonamide

ZYZ

ZYZ
Name:	(4-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid
Formula:	C16 H23 N O6 Se
SMILES:	O=C(OC(C)(C)C)NC(C(=O)OC)Cc1ccc(cc1)C[Se](=O)O
InChi:	InChI=1S/C16H23NO6Se/c1-16(2,3)23-15(19)17-13(14(18)22-4)9-11-5-7-12(8-6-11)10-24(20)21/h5-8,13H,9-10H2,1-4H3,(H,17,19)(H,20,21)/t13-/m0/s1
Definition date:	2008-06-11
Last modified:	2011-06-04
Identifier:	(4-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid

S82

S82
Name:	4-[3-(1-methylethyl)-1,2,4-oxadiazol-5-yl]-N-[(1S,2R)-2-phenylcyclopropyl]piperidine-1-carboxamide
Formula:	C20 H26 N4 O2
SMILES:	O=C(NC2CC2c1ccccc1)N4CCC(c3nc(no3)C(C)C)CC4
InChi:	InChI=1S/C20H26N4O2/c1-13(2)18-22-19(26-23-18)15-8-10-24(11-9-15)20(25)21-17-12-16(17)14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3,(H,21,25)/t16-,17+/m1/s1
Definition date:	2010-09-27
Last modified:	2011-06-04
Identifier:	N-[(1S,2R)-2-phenylcyclopropyl]-4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide

ZZH

ZZH
Name:	(2S)-2-(4-benzylphenoxy)-3-phenylpropanoic acid
Formula:	C22 H20 O3
SMILES:	O=C(O)C(Oc1ccc(cc1)Cc2ccccc2)Cc3ccccc3
InChi:	InChI=1S/C22H20O3/c23-22(24)21(16-18-9-5-2-6-10-18)25-20-13-11-19(12-14-20)15-17-7-3-1-4-8-17/h1-14,21H,15-16H2,(H,23,24)/t21-/m0/s1
Definition date:	2009-06-04
Last modified:	2011-06-04
Identifier:	(2S)-2-(4-benzylphenoxy)-3-phenylpropanoic acid

ZZJ

ZZJ
Name:	N^2^-methyl-L-alaninamide
Formula:	C4 H10 N2 O
SMILES:	O=C(N)C(NC)C
InChi:	InChI=1S/C4H10N2O/c1-3(6-2)4(5)7/h3,6H,1-2H3,(H2,5,7)/t3-/m0/s1
Definition date:	2009-09-02
Last modified:	2011-06-04
Identifier:	N~2~-methyl-L-alaninamide

ZZM

ZZM
Name:	1-(1-METHYLETHYL)-3-(PYRIDIN-3-YLETHYNYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE
Formula:	C15 H14 N6
SMILES:	n1c(c3c(nc1)n(nc3C#Cc2cccnc2)C(C)C)N
InChi:	InChI=1S/C15H14N6/c1-10(2)21-15-13(14(16)18-9-19-15)12(20-21)6-5-11-4-3-7-17-8-11/h3-4,7-10H,1-2H3,(H2,16,18,19)
Definition date:	2009-11-09
Last modified:	2011-06-04
Identifier:	1-(1-methylethyl)-3-(pyridin-3-ylethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

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