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URS

URS
Name:	N-PHENYLTHIOUREA
Formula:	C7 H8 N2 S
SMILES:	S=C(Nc1ccccc1)N
InChi:	InChI=1S/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)
Definition date:	1999-07-15
Last modified:	2011-06-04
Identifier:	1-phenylthiourea

PX6

PX6
Name:	1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE
Formula:	C35 H68 O8 P
SMILES:	O=P([O-])(O)OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC
InChi:	InChI=1S/C35H69O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(36)41-31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3,(H2,38,39,40)/p-1/t33-/m1/s1
Definition date:	2004-08-02
Last modified:	2011-06-04
Identifier:	(2R)-2,3-bis(hexadecanoyloxy)propyl hydrogen phosphate

VMX

VMX
Name:	5'-{[(3-aminopropyl)sulfonyl]amino}-5'-deoxyadenosine
Formula:	C13 H21 N7 O5 S
SMILES:	NCCC[S](=O)(=O)NC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
InChi:	InChI=1S/C13H21N7O5S/c14-2-1-3-26(23,24)19-4-7-9(21)10(22)13(25-7)20-6-18-8-11(15)16-5-17-12(8)20/h5-7,9-10,13,19,21-22H,1-4,14H2,(H2,15,16,17)/t7-,9-,10-,13-/m1/s1
Definition date:	2009-12-30
Last modified:	2011-06-04
Identifier:	N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl]-3-azanyl-propane-1-sulfonamide

URT

URT
Name:	({[(2R,5R)-5-(6-amino-9H-purin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxy}methyl)phosphonic acid
Formula:	C10 H11 F N5 O5 P
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](OC[P](O)(O)=O)C=C3F
InChi:	InChI=1S/C10H11FN5O5P/c11-5-1-6(20-4-22(17,18)19)21-10(5)16-3-15-7-8(12)13-2-14-9(7)16/h1-3,6,10H,4H2,(H2,12,13,14)(H2,17,18,19)/t6-,10+/m0/s1
Definition date:	2009-11-24
Last modified:	2011-06-04
Identifier:	[(2R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxymethylphosphonic acid

NFR

NFR
Name:	NI-FE REDUCED ACTIVE CENTER
Formula:	C3 H2 Fe N Ni O2
SMILES:	N#C[Fe]([Ni])(C=O)C=O
InChi:	InChI=1S/CN.2CHO.Fe.Ni/c3*1-2
Definition date:	2004-12-17
Last modified:	2011-06-04
Identifier:	diformyl(hydrocyanato-1kappaC)ironnickel(Fe-Ni)

SRA

SRA
Name:	ADENOSINE -5'-THIO-MONOPHOSPHATE
Formula:	C10 H14 N5 O6 P S
SMILES:	S=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C10H14N5O6PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(21-10)1-20-22(18,19)23/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,23)/t4-,6-,7-,10-/m1/s1
Definition date:	1999-09-15
Last modified:	2011-06-04
Identifier:	5'-O-thiophosphonoadenosine

RXA

RXA
Name:	isoquinoline-1,3,4(2H)-trione
Formula:	C9 H5 N O3
SMILES:	O=C2c1c(cccc1)C(=O)C(=O)N2
InChi:	InChI=1S/C9H5NO3/c11-7-5-3-1-2-4-6(5)8(12)10-9(7)13/h1-4H,(H,10,12,13)
Definition date:	2008-06-13
Last modified:	2011-06-04
Identifier:	isoquinoline-1,3,4(2H)-trione

PX8

PX8
Name:	1,2-DISTEAROYL-SN-GLYCERO-3-PHOSPHATE
Formula:	C39 H76 O8 P
SMILES:	O=P([O-])(O)OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC
InChi:	InChI=1S/C39H77O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3,(H2,42,43,44)/p-1/t37-/m1/s1
Definition date:	2004-08-02
Last modified:	2011-06-04
Identifier:	(2R)-2,3-bis(octadecanoyloxy)propyl hydrogen phosphate

ZKD

ZKD
Name:	URIDINE-DIPHOSPHATE-1-DEOXY-1-THIO-N-ACETYLGLUCOSAMINE
Formula:	C17 H27 N3 O16 P2 S
SMILES:	O=P(SC1OC(C(O)C(O)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O
InChi:	InChI=1S/C17H27N3O16P2S/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)39-38(31,32)36-37(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10+,11-,12-,13-,14-,15-,16-/m1/s1
Definition date:	2010-06-07
Last modified:	2011-06-04
Identifier:	S-[(2R,3S,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl] O-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl} dihydrogen thiodiphosphate (non-preferred name)

URX

URX
Name:	[(1R,3R,4R,5R,7S)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-7-hydroxy-5-methyl-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate
Formula:	C12 H17 N2 O8 P
SMILES:	O=P(O)(O)OCC23OC(N1C(=O)NC(=O)C=C1)C(C(C2)C)C3O
InChi:	InChI=1S/C12H17N2O8P/c1-6-4-12(5-21-23(18,19)20)9(16)8(6)10(22-12)14-3-2-7(15)13-11(14)17/h2-3,6,8-10,16H,4-5H2,1H3,(H,13,15,17)(H2,18,19,20)/t6-,8-,9+,10-,12-/m1/s1
Definition date:	2010-10-11
Last modified:	2011-06-04
Identifier:	[(1R,3R,4R,5R,7S)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-7-hydroxy-5-methyl-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate

RXD

RXD
Name:	N-[3-(2-fluoroethoxy)phenyl]-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide
Formula:	C21 H18 F N3 O6
SMILES:	FCCOc1cccc(c1)NC(=O)CCC(=O)Nc2ccc3C(=O)NC(=O)C(=O)c3c2
InChi:	InChI=1S/C21H18FN3O6/c22-8-9-31-14-3-1-2-12(10-14)23-17(26)6-7-18(27)24-13-4-5-15-16(11-13)19(28)21(30)25-20(15)29/h1-5,10-11H,6-9H2,(H,23,26)(H,24,27)(H,25,29,30)
Definition date:	2008-06-13
Last modified:	2011-06-04
Identifier:	N-[3-(2-fluoroethoxy)phenyl]-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide

PXC

PXC
Name:	phenazine-1,6-dicarboxylic acid
Formula:	C14 H8 N2 O4
SMILES:	OC(=O)c1cccc2nc3c(cccc3C(O)=O)nc12
InChi:	InChI=1S/C14H8N2O4/c17-13(18)7-3-1-5-9-11(7)16-10-6-2-4-8(14(19)20)12(10)15-9/h1-6H,(H,17,18)(H,19,20)
Definition date:	2009-12-16
Last modified:	2011-06-04
Identifier:	phenazine-1,6-dicarboxylic acid

PIM

PIM
Name:	4-PHENYL-1H-IMIDAZOLE
Formula:	C9 H8 N2
SMILES:	n2cc(c1ccccc1)nc2
InChi:	InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	5-phenyl-1H-imidazole

US1

US1
Name:	2'-DEOXY-3'-THIOURIDINE 5'-(DIHYDROGEN PHOSPHATE)
Formula:	C9 H13 N2 O7 P S
SMILES:	O=C1NC(=O)N(C=C1)C2OC(C(S)C2)COP(=O)(O)O
InChi:	InChI=1S/C9H13N2O7PS/c12-7-1-2-11(9(13)10-7)8-3-6(20)5(18-8)4-17-19(14,15)16/h1-2,5-6,8,20H,3-4H2,(H,10,12,13)(H2,14,15,16)/t5-,6+,8-/m1/s1
Definition date:	2006-10-19
Last modified:	2011-06-04
Identifier:	2'-deoxy-3'-thiouridine 5'-(dihydrogen phosphate)

TLA

TLA
Name:	L(+)-TARTARIC ACID
Formula:	C4 H6 O6
SMILES:	O=C(O)C(O)C(O)C(=O)O
InChi:	InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1
Definition date:	2002-01-22
Last modified:	2011-06-04
Identifier:	(2R,3R)-2,3-dihydroxybutanedioic acid

TLB

TLB
Name:	2'-O,3'-C-METHYLENE-ARABINOFURANOSYL-THYMINE-5'-MONOPHOSPHATE
Formula:	C11 H15 N2 O9 P
SMILES:	O=C1C(=CN(C(=O)N1)C3OC(C2(O)COC23)COP(=O)(O)O)C
InChi:	InChI=1S/C11H15N2O9P/c1-5-2-13(10(15)12-8(5)14)9-7-11(16,4-20-7)6(22-9)3-21-23(17,18)19/h2,6-7,9,16H,3-4H2,1H3,(H,12,14,15)(H2,17,18,19)/t6-,7-,9-,11-/m1/s1
Definition date:	2003-02-07
Last modified:	2011-06-04
Identifier:	[(1R,2R,4R,5S)-1-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,6-dioxabicyclo[3.2.0]hept-2-yl]methyl dihydrogen phosphate

PIR

PIR
Name:	2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL-PYRROLIDINE-3,4-DIOL
Formula:	C11 H16 N2 O3
SMILES:	OC2C(c1ccc(N)cc1)NC(CO)C2O
InChi:	InChI=1S/C11H16N2O3/c12-7-3-1-6(2-4-7)9-11(16)10(15)8(5-14)13-9/h1-4,8-11,13-16H,5,12H2/t8-,9+,10-,11+/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(2S,3S,4R,5R)-2-(4-aminophenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol

P41

P41
Name:	6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(1-methylethyl)-1,3-benzothiazol-2-amine
Formula:	C19 H16 F N3 O S
SMILES:	Fc1ccccc1c4ncoc4c2ccc3nc(sc3c2)NC(C)C
InChi:	InChI=1S/C19H16FN3OS/c1-11(2)22-19-23-15-8-7-12(9-16(15)25-19)18-17(21-10-24-18)13-5-3-4-6-14(13)20/h3-11H,1-2H3,(H,22,23)
Definition date:	2008-02-04
Last modified:	2011-06-04
Identifier:	6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(1-methylethyl)-1,3-benzothiazol-2-amine

SRN

SRN
Name:	SORANGICIN A
Formula:	C47 H66 O11
SMILES:	O=C2OC1C=CC(OC1C(=C/C(C)CCCCC(=O)O)/C)CC=CCCC=CC(O)C(O)C5OC(CC=CC4OC3CC(OC3C=CC=CC=C2)C4C)C(C)C(O)C5
InChi:	InChI=1S/C47H66O11/c1-30(17-14-15-23-44(50)51)27-31(2)47-40-26-25-34(54-47)18-10-6-5-7-11-19-35(48)46(53)43-28-36(49)32(3)37(56-43)21-16-22-38-33(4)41-29-42(55-38)39(57-41)20-12-8-9-13-24-45(52)58-40/h6,8-13,16,19-20,22,24-27,30,32-43,46-49,53H,5,7,14-15,17-18,21,23,28-29H2,1-4H3,(H,50,51)/b9-8-,10-6+,19-11+,20-12+,22-16+,24-13-,31-27+/t30-,32-,33+,34+,35+,36+,37-,38+,39-,40+,41-,42-,43-,46+,47+/m1/s1
Definition date:	2005-01-25
Last modified:	2011-06-04
Identifier:	(6R,7E)-6-methyl-8-[(1S,4Z,6Z,8E,10R,12R,14R,16S,17E,20R,21R,22S,24R,25S,26S,27E,31E,34S,36S,40R)-22,25,26-trihydroxy-21,40-dimethyl-3-oxo-2,11,15,35,39-pentaoxapentacyclo[32.2.2.1~12,16~.1~20,24~.0~10,14~]tetraconta-4,6,8,17,27,31,37-heptaen-36-yl]non-7-enoic acid (non-preferred name)

PIW

PIW
Name:	1-phenyl-1H-imidazole
Formula:	C9 H8 N2
SMILES:	n2ccn(c1ccccc1)c2
InChi:	InChI=1S/C9H8N2/c1-2-4-9(5-3-1)11-7-6-10-8-11/h1-8H
Definition date:	2010-06-08
Last modified:	2011-06-04
Identifier:	1-phenyl-1H-imidazole

P45

P45
Name:	2-(4-CHLOROBENZYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE
Formula:	C19 H14 Cl N7
SMILES:	Clc1ccc(cc1)CNc3nc2c(C#N)cnn2c(n3)Nc4ccccc4
InChi:	InChI=1S/C19H14ClN7/c20-15-8-6-13(7-9-15)11-22-18-25-17-14(10-21)12-23-27(17)19(26-18)24-16-4-2-1-3-5-16/h1-9,12H,11H2,(H2,22,24,25,26)
Definition date:	2007-05-11
Last modified:	2011-06-04
Identifier:	2-[(4-chlorobenzyl)amino]-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile

OA1

OA1
Name:	(2-AMINO-1,3-OXAZOL-5-YL)-(3-BROMOPHENYL)METHANONE
Formula:	C10 H7 Br N2 O2
SMILES:	O=C(c1cccc(Br)c1)c2oc(nc2)N
InChi:	InChI=1S/C10H7BrN2O2/c11-7-3-1-2-6(4-7)9(14)8-5-13-10(12)15-8/h1-5H,(H2,12,13)
Definition date:	2008-12-18
Last modified:	2011-06-04
Identifier:	(2-amino-1,3-oxazol-5-yl)(3-bromophenyl)methanone

VNF

VNF
Name:	4'-chloro-N-[(1R)-2-(1H-imidazol-1-yl)-1-phenylethyl]biphenyl-4-carboxamide
Formula:	C24 H20 Cl N3 O
SMILES:	Clc1ccc(cc1)c2ccc(cc2)C(=O)N[CH](Cn3ccnc3)c4ccccc4
InChi:	InChI=1S/C24H20ClN3O/c25-22-12-10-19(11-13-22)18-6-8-21(9-7-18)24(29)27-23(16-28-15-14-26-17-28)20-4-2-1-3-5-20/h1-15,17,23H,16H2,(H,27,29)/t23-/m0/s1
Definition date:	2009-11-24
Last modified:	2011-06-04
Identifier:	4-(4-chlorophenyl)-N-[(1R)-2-imidazol-1-yl-1-phenyl-ethyl]benzamide

SRP

SRP
Name:	SERYL ADENYLATE
Formula:	C13 H19 N6 O9 P
SMILES:	O=C(OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)CO
InChi:	InChI=1S/C13H19N6O9P/c14-5(1-20)13(23)28-29(24,25)26-2-6-8(21)9(22)12(27-6)19-4-18-7-10(15)16-3-17-11(7)19/h3-6,8-9,12,20-22H,1-2,14H2,(H,24,25)(H2,15,16,17)/t5-,6+,8+,9+,12+/m0/s1
Definition date:	2004-06-29
Last modified:	2011-06-04
Identifier:	5'-O-[(S)-{[(2S)-2-amino-3-hydroxypropanoyl]oxy}(hydroxy)phosphoryl]adenosine

RXP

RXP
Name:	1-BENZYLOXYCARBONYLAMINO-2-PHENYL-ETHYL)-{2-[1-CARBAMOYL-2-(1H-INDOL-3-YL)-ETHYLCARBAMOYL]-5-PHENYL-PENTYL}-PHOSPHINIC ACID
Formula:	C39 H43 N4 O6 P
SMILES:	O=C(OCc1ccccc1)NC(Cc2ccccc2)P(=O)(O)CC(C(=O)NC(C(=O)N)Cc4c3ccccc3nc4)CCCc5ccccc5
InChi:	InChI=1S/C39H43N4O6P/c40-37(44)35(24-32-25-41-34-22-11-10-21-33(32)34)42-38(45)31(20-12-19-28-13-4-1-5-14-28)27-50(47,48)36(23-29-15-6-2-7-16-29)43-39(46)49-26-30-17-8-3-9-18-30/h1-11,13-18,21-22,25,31,35-36,41H,12,19-20,23-24,26-27H2,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)/t31-,35+,36+/m1/s1
Definition date:	2001-01-15
Last modified:	2011-06-04
Identifier:	Nalpha-[(2S)-2-{[(S)-[(1S)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]methyl}-5-phenylpentanoyl]-L-tryptophanamide

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