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UN7

UN7
Name:	3-[3-(3(S)-METHYLCARBAMOYL-7-SULFOAMINO-3,4,-DIHYDRO-1H-ISOQUINOLIN-2-YL)-3-OXO-PROPYL]-BENZOIC ACID
Formula:	C21 H23 N3 O7 S
SMILES:	O=C(O)c1cc(ccc1)CCC(=O)N3C(C(=O)NC)Cc2c(cc(cc2)NS(=O)(=O)O)C3
InChi:	InChI=1S/C21H23N3O7S/c1-22-20(26)18-11-14-6-7-17(23-32(29,30)31)10-16(14)12-24(18)19(25)8-5-13-3-2-4-15(9-13)21(27)28/h2-4,6-7,9-10,18,23H,5,8,11-12H2,1H3,(H,22,26)(H,27,28)(H,29,30,31)/t18-/m0/s1
Definition date:	2005-12-02
Last modified:	2011-06-04
Identifier:	3-{3-[(3S)-3-(methylcarbamoyl)-7-(sulfoamino)-3,4-dihydroisoquinolin-2(1H)-yl]-3-oxopropyl}benzoic acid

ZAB

ZAB
Name:	(3-{(Z)-[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-{(Z)-[3-(aminomethyl)phenyl]diazenyl}phenyl)acetic acid

VI
Name:	1,3-DIPHENYL-1H-PYRAZOLE-4,5-DICARBOXYLIC ACID
Formula:	C17 H12 N2 O4
SMILES:	O=C(O)c2c(nn(c1ccccc1)c2C(=O)O)c3ccccc3
InChi:	InChI=1S/C17H12N2O4/c20-16(21)13-14(11-7-3-1-4-8-11)18-19(15(13)17(22)23)12-9-5-2-6-10-12/h1-10H,(H,20,21)(H,22,23)
Definition date:	2006-03-29
Last modified:	2011-06-04
Identifier:	1,3-diphenyl-1H-pyrazole-4,5-dicarboxylic acid

UN9

UN9
Name:	N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE
Formula:	C12 H9 Cl N2 O4
SMILES:	O=C(O)CNC(=O)c1nc(Cl)c2c(c1O)cccc2
InChi:	InChI=1S/C12H9ClN2O4/c13-11-7-4-2-1-3-6(7)10(18)9(15-11)12(19)14-5-8(16)17/h1-4,18H,5H2,(H,14,19)(H,16,17)
Definition date:	2006-06-15
Last modified:	2011-06-04
Identifier:	N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine

UNA

UNA
Name:	UNDECANAL
Formula:	C11 H22 O
SMILES:	O=CCCCCCCCCCC
InChi:	InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h11H,2-10H2,1H3
Definition date:	2000-03-13
Last modified:	2011-06-04
Identifier:	undecanal

KI2

KI2
Name:	3-BENZYLOXYCARBONYLAMINO-2-HYDROXY-4-PHENYL-BUTYRIC ACID
Formula:	C18 H19 N O5
SMILES:	O=C(O)C(O)C(NC(=O)OCc1ccccc1)Cc2ccccc2
InChi:	InChI=1S/C18H19NO5/c20-16(17(21)22)15(11-13-7-3-1-4-8-13)19-18(23)24-12-14-9-5-2-6-10-14/h1-10,15-16,20H,11-12H2,(H,19,23)(H,21,22)/t15-,16+/m0/s1
Definition date:	2002-12-23
Last modified:	2011-06-04
Identifier:	(2R,3S)-3-{[(benzyloxy)carbonyl]amino}-2-hydroxy-4-phenylbutanoic acid

UA5

UA5
Name:	(4-ETHYLPHENYL)SULFAMIC ACID
Formula:	C8 H11 N O3 S
SMILES:	O=S(=O)(O)Nc1ccc(cc1)CC
InChi:	InChI=1S/C8H11NO3S/c1-2-7-3-5-8(6-4-7)9-13(10,11)12/h3-6,9H,2H2,1H3,(H,10,11,12)
Definition date:	2006-08-28
Last modified:	2011-06-04
Identifier:	(4-ethylphenyl)sulfamic acid

VX1

VX1
Name:	4-[3-(4-chlorophenyl)-2,1-benzisoxazol-5-yl]pyrimidin-2-amine
Formula:	C17 H11 Cl N4 O
SMILES:	Clc4ccc(c1onc2ccc(cc12)c3nc(ncc3)N)cc4
InChi:	InChI=1S/C17H11ClN4O/c18-12-4-1-10(2-5-12)16-13-9-11(3-6-15(13)22-23-16)14-7-8-20-17(19)21-14/h1-9H,(H2,19,20,21)
Definition date:	2007-11-28
Last modified:	2011-06-04
Identifier:	4-[3-(4-chlorophenyl)-2,1-benzisoxazol-5-yl]pyrimidin-2-amine

XBK

XBK
Name:	4,5-DE-EPOXYPIMARICIN
Formula:	C33 H47 N O12
SMILES:	O=C(O)C1C(O)CC3(O)OC1CC(OC2OC(C)C(O)C(N)C2O)C=CC=CC=CC=CCC(OC(=O)C=CC=CCC(O)C3)C
InChi:	InChI=1S/C33H47NO12/c1-20-13-9-6-4-3-5-7-11-15-23(45-32-30(39)28(34)29(38)21(2)44-32)17-25-27(31(40)41)24(36)19-33(42,46-25)18-22(35)14-10-8-12-16-26(37)43-20/h3-12,15-16,20-25,27-30,32,35-36,38-39,42H,13-14,17-19,34H2,1-2H3,(H,40,41)/b4-3+,7-5+,9-6+,10-8+,15-11+,16-12+/t20-,21-,22+,23+,24+,25+,27-,28+,29-,30+,32+,33-/m1/s1
Definition date:	2010-04-12
Last modified:	2011-06-04
Identifier:	(1R,3S,5E,7E,11R,13E,15E,17E,19E,21R,23S,24R,25S)-21-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,25-trihydroxy-11-methyl-9-oxo-10,27-dioxabicyclo[21.3.1]heptacosa-5,7,13,15,17,19-hexaene-24-carboxylic acid

UNJ

UNJ
Name:	5-bromo-1-benzofuran-2-carboxylic acid
Formula:	C9 H5 Br O3
SMILES:	O=C(O)c2oc1ccc(Br)cc1c2
InChi:	InChI=1S/C9H5BrO3/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,(H,11,12)
Definition date:	2011-03-08
Last modified:	2011-06-04
Identifier:	5-bromo-1-benzofuran-2-carboxylic acid

VX3

VX3
Name:	2,3-diphenyl-1H-indole-7-carboxylic acid
Formula:	C21 H15 N O2
SMILES:	O=C(O)c1cccc2c1nc(c2c3ccccc3)c4ccccc4
InChi:	InChI=1S/C21H15NO2/c23-21(24)17-13-7-12-16-18(14-8-3-1-4-9-14)19(22-20(16)17)15-10-5-2-6-11-15/h1-13,22H,(H,23,24)
Definition date:	2007-11-29
Last modified:	2011-06-04
Identifier:	2,3-diphenyl-1H-indole-7-carboxylic acid

KI9

KI9
Name:	2,3,4,6,8-PENTACHLORO-9H-CARBAZOL-1-OL
Formula:	C12 H4 Cl5 N O
SMILES:	Clc1c(O)c3c(c(Cl)c1Cl)c2cc(Cl)cc(Cl)c2n3
InChi:	InChI=1S/C12H4Cl5NO/c13-3-1-4-6-7(15)8(16)9(17)12(19)11(6)18-10(4)5(14)2-3/h1-2,18-19H
Definition date:	2010-03-19
Last modified:	2011-06-04
Identifier:	2,3,4,6,8-pentachloro-9H-carbazol-1-ol

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

WWZ

WWZ
Name:	4-{[(4-fluorophenyl)carbamoyl]amino}benzenesulfonamide
Formula:	C13 H12 F N3 O3 S
SMILES:	O=S(=O)(N)c2ccc(NC(=O)Nc1ccc(F)cc1)cc2
InChi:	InChI=1S/C13H12FN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
Definition date:	2010-05-26
Last modified:	2011-06-04
Identifier:	4-{[(4-fluorophenyl)carbamoyl]amino}benzenesulfonamide

UNQ

UNQ
Name:	5-{6-[(trans-4-aminocyclohexyl)amino]pyrazin-2-yl}-1-benzofuran-2-carboxylic acid
Formula:	C19 H20 N4 O3
SMILES:	O=C(O)c2oc1ccc(cc1c2)c4nc(NC3CCC(N)CC3)cnc4
InChi:	InChI=1S/C19H20N4O3/c20-13-2-4-14(5-3-13)22-18-10-21-9-15(23-18)11-1-6-16-12(7-11)8-17(26-16)19(24)25/h1,6-10,13-14H,2-5,20H2,(H,22,23)(H,24,25)/t13-,14-
Definition date:	2011-03-08
Last modified:	2011-06-04
Identifier:	5-{6-[(trans-4-aminocyclohexyl)amino]pyrazin-2-yl}-1-benzofuran-2-carboxylic acid

UAD

UAD
Name:	[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl dihydrogen diphosphate
Formula:	C14 H22 N2 O16 P2
SMILES:	O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OCC(O)C(O)C3O)O)O
InChi:	InChI=1S/C14H22N2O16P2/c17-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12(30-6)16-2-1-7(18)15-14(16)23/h1-2,5-6,8-13,17,19-22H,3-4H2,(H,24,25)(H,26,27)(H,15,18,23)/t5-,6+,8-,9+,10+,11+,12+,13-/m0/s1
Definition date:	2010-08-24
Last modified:	2011-06-04
Identifier:	[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)

VIG

VIG
Name:	4-AMINO HEXANOIC ACID
Formula:	C6 H13 N O2
SMILES:	O=C(O)CCC(N)CC
InChi:	InChI=1S/C6H13NO2/c1-2-5(7)3-4-6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m1/s1
Definition date:	2003-06-03
Last modified:	2011-06-04
Identifier:	(4R)-4-aminohexanoic acid

KIF

KIF
Name:	KIFUNENSINE
Formula:	C8 H12 N2 O6
SMILES:	O=C1C(=O)NC2N1C(C(O)C(O)C2O)CO
InChi:	InChI=1S/C8H12N2O6/c11-1-2-3(12)4(13)5(14)6-9-7(15)8(16)10(2)6/h2-6,11-14H,1H2,(H,9,15)/t2-,3-,4+,5+,6+/m1/s1
Definition date:	2000-10-11
Last modified:	2011-06-04
Identifier:	(5R,6R,7S,8R,8aS)-6,7,8-trihydroxy-5-(hydroxymethyl)hexahydroimidazo[1,2-a]pyridine-2,3-dione

UAG

UAG
Name:	URIDINE-5'-DIPHOSPHATE-N-ACETYLMURAMOYL-L-ALANINE-D-GLUTAMATE
Formula:	C28 H43 N5 O23 P2
SMILES:	O=P(OC1OC(C(O)C(OC(C(=O)NC(C(=O)NC(C(=O)O)CCC(=O)O)C)C)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O
InChi:	InChI=1S/C28H43N5O23P2/c1-10(23(42)31-13(26(44)45)4-5-17(37)38)29-24(43)11(2)52-22-18(30-12(3)35)27(54-14(8-34)20(22)40)55-58(49,50)56-57(47,48)51-9-15-19(39)21(41)25(53-15)33-7-6-16(36)32-28(33)46/h6-7,10-11,13-15,18-22,25,27,34,39-41H,4-5,8-9H2,1-3H3,(H,29,43)(H,30,35)(H,31,42)(H,37,38)(H,44,45)(H,47,48)(H,49,50)(H,32,36,46)/t10-,11+,13+,14+,15+,18+,19+,20+,21+,22+,25+,27+/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(2R)-2-{[(2S)-2-{[(2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]amino}propanoyl]amino}pentanedioic acid (non-preferred name)

XBV

XBV
Name:	(3R,4R)-1-(2,2-DIFLUORO-ETHYL)-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(5-CHLORO-PYRIDIN-2-YL)-AMIDE]-4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}
Formula:	C24 H21 Cl F3 N5 O3
SMILES:	FC(F)CN4CC(C(=O)Nc2ccc(N1C=CC=CC1=O)cc2F)C(C(=O)Nc3ncc(Cl)cc3)C4
InChi:	InChI=1S/C24H21ClF3N5O3/c25-14-4-7-21(29-10-14)31-24(36)17-12-32(13-20(27)28)11-16(17)23(35)30-19-6-5-15(9-18(19)26)33-8-2-1-3-22(33)34/h1-10,16-17,20H,11-13H2,(H,30,35)(H,29,31,36)/t16-,17-/m0/s1
Definition date:	2010-04-15
Last modified:	2011-06-04
Identifier:	(3R,4R)-N-(5-chloropyridin-2-yl)-1-(2,2-difluoroethyl)-N'-[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]pyrrolidine-3,4-dicarboxamide

UNU

UNU
Name:	BENZAMIDE
Formula:	C7 H7 N O
SMILES:	O=C(N)c1ccccc1
InChi:	InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)
Definition date:	2007-04-20
Last modified:	2011-06-04
Identifier:	benzamide

WFE

WFE
Name:	N-{[(3S)-3-amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl}-2,4-difluorobenzamide
Formula:	C20 H22 F2 N6 O
SMILES:	Fc1ccc(c(F)c1)C(=O)NCC4(N)CCN(c2ncnc3c2c(cn3)CC)C4
InChi:	InChI=1S/C20H22F2N6O/c1-2-12-8-24-17-16(12)18(27-11-26-17)28-6-5-20(23,10-28)9-25-19(29)14-4-3-13(21)7-15(14)22/h3-4,7-8,11H,2,5-6,9-10,23H2,1H3,(H,25,29)(H,24,26,27)/t20-/m0/s1
Definition date:	2010-05-10
Last modified:	2011-06-04
Identifier:	N-{[(3S)-3-amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl}-2,4-difluorobenzamide

KIM

KIM
Name:	N~4~-methyl-N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
Formula:	C22 H24 N6 O3
SMILES:	O(c1cc(cc(OC)c1OC)Nc2nccc(n2)N(c3ccc4c(c3)nnc4C)C)C
InChi:	InChI=1S/C22H24N6O3/c1-13-16-7-6-15(12-17(16)27-26-13)28(2)20-8-9-23-22(25-20)24-14-10-18(29-3)21(31-5)19(11-14)30-4/h6-12H,1-5H3,(H,26,27)(H,23,24,25)
Definition date:	2008-03-13
Last modified:	2011-06-04
Identifier:	N~4~-methyl-N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine

KIN

KIN
Name:	1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3-[3-(TRIFLUOROMETHYL)PHENYL]UREA
Formula:	C19 H14 F3 N3 O2
SMILES:	FC(F)(F)c1cccc(c1)NC(=O)Nc3ccc(Oc2ccncc2)cc3
InChi:	InChI=1S/C19H14F3N3O2/c20-19(21,22)13-2-1-3-15(12-13)25-18(26)24-14-4-6-16(7-5-14)27-17-8-10-23-11-9-17/h1-12H,(H2,24,25,26)
Definition date:	2006-08-10
Last modified:	2011-06-04
Identifier:	1-[4-(pyridin-4-yloxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea

XC2

XC2
Name:	(3R)-8-CYCLOPROPYL-6-(MORPHOLIN-4-YLMETHYL)-7-(1-NAPHTHYLMETHYL)-5-OXO-2,3-DIHYDRO-5H-[1,3]THIAZOLO[3,2-A]PYRIDINE-3-CARBOXYLIC ACID
Formula:	C27 H28 N2 O4 S
SMILES:	O=C2C(=C(C(=C1SCC(N12)C(=O)O)C3CC3)Cc5c4ccccc4ccc5)CN6CCOCC6
InChi:	InChI=1S/C27H28N2O4S/c30-25-22(15-28-10-12-33-13-11-28)21(14-19-6-3-5-17-4-1-2-7-20(17)19)24(18-8-9-18)26-29(25)23(16-34-26)27(31)32/h1-7,18,23H,8-16H2,(H,31,32)/t23-/m0/s1
Definition date:	2006-10-12
Last modified:	2011-06-04
Identifier:	(3R)-8-cyclopropyl-6-(morpholin-4-ylmethyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid

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