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XCG

XCG
Name:	2-(2-BENZOFURANYL)-2-IMIDAZOLINE
Formula:	C11 H8 N2 O
SMILES:	n1ccnc1c3oc2ccccc2c3
InChi:	InChI=1S/C11H8N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-7H,(H,12,13)
Definition date:	2010-04-23
Last modified:	2011-06-04
Identifier:	2-(1-benzofuran-2-yl)-1H-imidazole

CF2

CF2
Name:	2'-deoxy-5'-O-{[2-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)ethyl]carbamoyl}guanosine
Formula:	C25 H26 N10 O7
SMILES:	O=C2C3=Nc1cc(c(cc1N(C3=NC(=O)N2)CCNC(=O)OCC6OC(n5cnc4c5N=C(N)NC4=O)CC6O)C)C
InChi:	InChI=1S/C25H26N10O7/c1-10-5-12-13(6-11(10)2)34(20-18(29-12)22(38)33-24(39)31-20)4-3-27-25(40)41-8-15-14(36)7-16(42-15)35-9-28-17-19(35)30-23(26)32-21(17)37/h5-6,9,14-16,36H,3-4,7-8H2,1-2H3,(H,27,40)(H,33,38,39)(H3,26,30,32,37)/t14-,15+,16+/m0/s1
Definition date:	2007-12-19
Last modified:	2011-06-04
Identifier:	2'-deoxy-5'-O-{[2-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)ethyl]carbamoyl}guanosine

CF3

CF3
Name:	9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE
Formula:	C15 H18 F3 N O2
SMILES:	O=C(Nc1ccccc1)CCCCCCC(=O)C(F)(F)F
InChi:	InChI=1S/C15H18F3NO2/c16-15(17,18)13(20)10-6-1-2-7-11-14(21)19-12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10-11H2,(H,19,21)
Definition date:	2006-04-21
Last modified:	2011-06-04
Identifier:	9,9,9-trifluoro-8-oxo-N-phenylnonanamide

CF4

CF4
Name:	[4-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)butyl]carbamic acid
Formula:	C17 H19 N5 O4
SMILES:	O=C2C3=Nc1cc(c(cc1N(C3=NC(=O)N2)CCCCNC(=O)O)C)C
InChi:	InChI=1S/C17H19N5O4/c1-9-7-11-12(8-10(9)2)22(6-4-3-5-18-17(25)26)14-13(19-11)15(23)21-16(24)20-14/h7-8,18H,3-6H2,1-2H3,(H,25,26)(H,21,23,24)
Definition date:	2007-12-19
Last modified:	2011-06-04
Identifier:	[4-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)butyl]carbamic acid

CF5

CF5
Name:	COFORMYCIN 5'-PHOSPHATE
Formula:	C11 H17 N4 O8 P
SMILES:	O=P(O)(O)OCC3OC(n2cnc1c2N=CNCC1O)C(O)C3O
InChi:	InChI=1S/C11H17N4O8P/c16-5-1-12-3-13-10-7(5)14-4-15(10)11-9(18)8(17)6(23-11)2-22-24(19,20)21/h3-6,8-9,11,16-18H,1-2H2,(H,12,13)(H2,19,20,21)/t5-,6-,8-,9-,11-/m1/s1
Definition date:	2005-06-29
Last modified:	2011-06-04
Identifier:	(8R)-3-(5-O-phosphono-beta-D-ribofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol

S22

S22
Name:	1-(4-(4-(2-(isopropylsulfonyl)phenylamino)-1H-pyrrolo[2,3-b]pyridin-6-ylamino)-3-methoxyphenyl)piperidin-4-ol
Formula:	C28 H33 N5 O4 S
SMILES:	O=S(=O)(c1ccccc1Nc2cc(nc3c2ccn3)Nc4c(OC)cc(cc4)N5CCC(O)CC5)C(C)C
InChi:	InChI=1S/C28H33N5O4S/c1-18(2)38(35,36)26-7-5-4-6-23(26)30-24-17-27(32-28-21(24)10-13-29-28)31-22-9-8-19(16-25(22)37-3)33-14-11-20(34)12-15-33/h4-10,13,16-18,20,34H,11-12,14-15H2,1-3H3,(H3,29,30,31,32)
Definition date:	2009-03-04
Last modified:	2011-06-04
Identifier:	1-(3-methoxy-4-{[4-({2-[(1-methylethyl)sulfonyl]phenyl}amino)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino}phenyl)piperidin-4-ol

S23

S23
Name:	N-{(2S)-3-[(1R)-1-aminoethyl](hydroxy)phosphoryl-2-benzylpropanoyl}-L-phenylalanine
Formula:	C21 H27 N2 O5 P
SMILES:	O=P(O)(C(N)C)CC(C(=O)NC(C(=O)O)Cc1ccccc1)Cc2ccccc2
InChi:	InChI=1S/C21H27N2O5P/c1-15(22)29(27,28)14-18(12-16-8-4-2-5-9-16)20(24)23-19(21(25)26)13-17-10-6-3-7-11-17/h2-11,15,18-19H,12-14,22H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t15-,18-,19+/m1/s1
Definition date:	2008-12-25
Last modified:	2011-06-04
Identifier:	N-{(2S)-3-[(R)-[(1R)-1-aminoethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}-L-phenylalanine

S27

S27
Name:	N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT-4-YL-N]-BENZYL-P-[PHENYL]-P-[METHYL]PHOSPHINAMID
Formula:	C20 H27 N2 O3 P
SMILES:	O=C(NO)C(N(P(=O)(c1ccccc1)C)Cc2ccccc2)CC(C)C
InChi:	InChI=1S/C20H27N2O3P/c1-16(2)14-19(20(23)21-24)22(15-17-10-6-4-7-11-17)26(3,25)18-12-8-5-9-13-18/h4-13,16,19,24H,14-15H2,1-3H3,(H,21,23)/t19-,26-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	N~2~-benzyl-N-hydroxy-N~2~-[(R)-methyl(phenyl)phosphoryl]-D-leucinamide

CFQ

CFQ
Name:	1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-arsenocholine
Formula:	C13 H19 As F3 N O3
SMILES:	FC(F)(F)C(OCC[As+](C)(C)C)c1ccccc1[N+](=O)O
InChi:	InChI=1S/C13H19AsF3NO3/c1-14(2,3)8-9-21-12(13(15,16)17)10-6-4-5-7-11(10)18(19)20/h4-7,12H,8-9H2,1-3H3,(H,19,20)/q+2/t12-/m0/s1
Definition date:	2007-08-22
Last modified:	2011-06-04
Identifier:	hydroxy(oxo)(2-{(1S)-2,2,2-trifluoro-1-[2-(trimethylarsonio)ethoxy]ethyl}phenyl)ammonium

CFV

CFV
Name:	[(2R)-1-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-propan-2-yl]oxymethylphosphonic acid
Formula:	C8 H14 N3 O6 P
SMILES:	O=C1N=C(C=CN1CC(OCP(=O)(O)O)CO)N
InChi:	InChI=1S/C8H14N3O6P/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16)/t6-/m1/s1
Definition date:	2008-10-05
Last modified:	2011-06-04
Identifier:	{[(1R)-2-(4-amino-2-oxopyrimidin-1(2H)-yl)-1-(hydroxymethyl)ethoxy]methyl}phosphonic acid

CFZ

CFZ
Name:	2'-deoxy-2'-fluorocytidine 5'-(dihydrogen phosphate)
Formula:	C9 H13 F N3 O7 P
SMILES:	O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(F)C2O
InChi:	InChI=1S/C9H13FN3O7P/c10-6-7(14)4(3-19-21(16,17)18)20-8(6)13-2-1-5(11)12-9(13)15/h1-2,4,6-8,14H,3H2,(H2,11,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
Definition date:	2010-04-13
Last modified:	2011-06-04
Identifier:	2'-deoxy-2'-fluorocytidine 5'-(dihydrogen phosphate)

CG
Name:	4-AMIDINOINDAN-1-ONE-2'-AMIDINOHYDRAZONE
Formula:	C11 H14 N6
SMILES:	[N@H]=C(c1cccc2c1CCC/2=N/NC(=[N@H])N)N
InChi:	InChI=1S/C11H14N6/c12-10(13)8-3-1-2-7-6(8)4-5-9(7)16-17-11(14)15/h1-3H,4-5H2,(H3,12,13)(H4,14,15,17)/b16-9+
Definition date:	2001-03-13
Last modified:	2011-06-04
Identifier:	(2E)-2-(4-carbamimidoyl-2,3-dihydro-1H-inden-1-ylidene)hydrazinecarboximidamide

S2M

S2M
Name:	2'-O-[2-(METHOXY)ETHYL]-2-THIOTHYMIDINE-5'-MONOPHOSPHATE
Formula:	C13 H21 N2 O9 P S
SMILES:	O=C1NC(=S)N(C=C1C)C2OC(C(O)C2OCCOC)COP(=O)(O)O
InChi:	InChI=1S/C13H21N2O9PS/c1-7-5-15(13(26)14-11(7)17)12-10(22-4-3-21-2)9(16)8(24-12)6-23-25(18,19)20/h5,8-10,12,16H,3-4,6H2,1-2H3,(H,14,17,26)(H2,18,19,20)/t8-,9-,10-,12-/m1/s1
Definition date:	2005-09-16
Last modified:	2011-06-04
Identifier:	1-[2-O-(2-methoxyethyl)-5-O-phosphono-beta-D-ribofuranosyl]-5-methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one

S2N

S2N
Name:	S-[2-({N-[(2R)-2-hydroxy-4-{[(S)-hydroxy(methoxy)phosphoryl]oxy}-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl] (3R)-3-hydroxydodecanethioate
Formula:	C24 H47 N2 O9 P S
SMILES:	O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OC)CC(O)CCCCCCCCC
InChi:	InChI=1S/C24H47N2O9PS/c1-5-6-7-8-9-10-11-12-19(27)17-21(29)37-16-15-25-20(28)13-14-26-23(31)22(30)24(2,3)18-35-36(32,33)34-4/h19,22,27,30H,5-18H2,1-4H3,(H,25,28)(H,26,31)(H,32,33)/t19-,22+/m1/s1
Definition date:	2009-07-07
Last modified:	2011-06-04
Identifier:	S-[2-({N-[(2R)-2-hydroxy-4-{[(S)-hydroxy(methoxy)phosphoryl]oxy}-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl] (3R)-3-hydroxydodecanethioate

CG1

CG1
Name:	5'-O-[(R)-hydroxy(methoxy)phosphoryl]guanosine
Formula:	C11 H16 N5 O8 P
SMILES:	O=P(O)(OC)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
InChi:	InChI=1S/C11H16N5O8P/c1-22-25(20,21)23-2-4-6(17)7(18)10(24-4)16-3-13-5-8(16)14-11(12)15-9(5)19/h3-4,6-7,10,17-18H,2H2,1H3,(H,20,21)(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1
Definition date:	2008-03-26
Last modified:	2011-06-04
Identifier:	5'-O-[(R)-hydroxy(methoxy)phosphoryl]guanosine

CG2

CG2
Name:	CYTIDYL-2'-5'-PHOSPHO-GUANOSINE
Formula:	C19 H25 N8 O12 P
SMILES:	O=C1N=C(N)C=CN1C5OC(CO)C(O)C5OP(=O)(O)OCC4OC(n3cnc2c3N=C(N)NC2=O)C(O)C4O
InChi:	InChI=1S/C19H25N8O12P/c20-8-1-2-26(19(33)23-8)17-13(11(30)6(3-28)37-17)39-40(34,35)36-4-7-10(29)12(31)16(38-7)27-5-22-9-14(27)24-18(21)25-15(9)32/h1-2,5-7,10-13,16-17,28-31H,3-4H2,(H,34,35)(H2,20,23,33)(H3,21,24,25,32)/t6-,7-,10-,11-,12-,13-,16-,17-/m1/s1
Definition date:	2003-06-28
Last modified:	2011-06-04
Identifier:	[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4R,5R)-2-(4-amino-2-oxopyrimidin-1(2H)-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl hydrogen (R)-phosphate (non-preferred name)

S30

S30
Name:	2-{[4-amino-3-(3-hydroxyprop-1-yn-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one
Formula:	C25 H21 N7 O2
SMILES:	O=C2N(c1ccccc1C)C(=Nc3cccc(c23)C)Cn5nc(C#CCO)c4c(ncnc45)N
InChi:	InChI=1S/C25H21N7O2/c1-15-7-3-4-11-19(15)32-20(29-17-9-5-8-16(2)21(17)25(32)34)13-31-24-22(23(26)27-14-28-24)18(30-31)10-6-12-33/h3-5,7-9,11,14,33H,12-13H2,1-2H3,(H2,26,27,28)
Definition date:	2009-11-09
Last modified:	2011-06-04
Identifier:	2-{[4-amino-3-(3-hydroxyprop-1-yn-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one

S38

S38
Name:	4-cyano-N-[(1S,2R)-2-phenylcyclopropyl]benzamide
Formula:	C17 H14 N2 O
SMILES:	O=C(NC2CC2c1ccccc1)c3ccc(C#N)cc3
InChi:	InChI=1S/C17H14N2O/c18-11-12-6-8-14(9-7-12)17(20)19-16-10-15(16)13-4-2-1-3-5-13/h1-9,15-16H,10H2,(H,19,20)/t15-,16+/m1/s1
Definition date:	2010-09-27
Last modified:	2011-06-04
Identifier:	4-cyano-N-[(1S,2R)-2-phenylcyclopropyl]benzamide

CGP

CGP
Name:	2'-DEOXYCYTIDINE-2'-DEOXYGUANOSINE-3',5'-MONOPHOSPHATE
Formula:	C19 H25 N8 O10 P
SMILES:	NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(=O)OC4CC(OC4CO)N5C=CC(=NC5=O)N)O3
InChi:	InChI=1S/C19H25N8O10P/c20-12-1-2-26(19(31)23-12)14-4-9(10(5-28)35-14)37-38(32,33)34-6-11-8(29)3-13(36-11)27-7-22-15-16(27)24-18(21)25-17(15)30/h1-2,7-11,13-14,28-29H,3-6H2,(H,32,33)(H2,20,23,31)(H3,21,24,25,30)/t8-,9?,10?,11+,13+,14?/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methyl [(2S,3R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate

S3B

S3B
Name:	3-methyl-2-(propanoyloxy)benzoic acid
Formula:	C11 H12 O4
SMILES:	O=C(Oc1c(cccc1C)C(=O)O)CC
InChi:	InChI=1S/C11H12O4/c1-3-9(12)15-10-7(2)5-4-6-8(10)11(13)14/h4-6H,3H2,1-2H3,(H,13,14)
Definition date:	2008-11-25
Last modified:	2011-06-04
Identifier:	3-methyl-2-(propanoyloxy)benzoic acid

S3P

S3P
Name:	SHIKIMATE-3-PHOSPHATE
Formula:	C7 H11 O8 P
SMILES:	O=C(O)C1=CC(OP(=O)(O)O)C(O)C(O)C1
InChi:	InChI=1S/C7H11O8P/c8-4-1-3(7(10)11)2-5(6(4)9)15-16(12,13)14/h2,4-6,8-9H,1H2,(H,10,11)(H2,12,13,14)/t4-,5-,6+/m1/s1
Definition date:	2000-11-16
Last modified:	2011-06-04
Identifier:	(3R,4S,5R)-4,5-dihydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid

CH
Name:	N3-PROTONATED CYTIDINE-5'-MONOPHOSPHATE
Formula:	C9 H15 N3 O8 P
SMILES:	O=C1NC(N)=CC=[N+]1C2OC(C(O)C2O)COP(=O)(O)O
InChi:	InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H4,10,11,15,16,17,18)/p+1/t4-,6-,7-,8-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	5'-cytidylic acid

CH1

CH1
Name:	3'-DEOXY-CYTIDINE-5'-TRIPHOSPHATE
Formula:	C9 H16 N3 O13 P3
SMILES:	O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2
InChi:	InChI=1S/C9H16N3O13P3/c10-7-1-2-12(9(14)11-7)8-6(13)3-5(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
Definition date:	2002-10-24
Last modified:	2011-06-04
Identifier:	3'-deoxycytidine 5'-(tetrahydrogen triphosphate)

CHC

CHC
Name:	6-ETHYL-CHENODEOXYCHOLIC ACID
Formula:	C26 H44 O4
SMILES:	O=C(O)CCC(C4C3(C(C1C(C2(C(C(CC)C1O)CC(O)CC2)C)CC3)CC4)C)C
InChi:	InChI=1S/C26H44O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h15-21,23-24,27,30H,5-14H2,1-4H3,(H,28,29)/t15-,16-,17-,18-,19+,20+,21+,23+,24-,25-,26-/m1/s1
Definition date:	2003-04-18
Last modified:	2011-06-04
Identifier:	(3beta,5beta,6alpha,7beta)-6-ethyl-3,7-dihydroxycholan-24-oic acid

CHD

CHD
Name:	CHOLIC ACID
Formula:	C24 H40 O5
SMILES:	O=C(O)CCC(C3CCC2C1C(O)CC4CC(O)CCC4(C)C1CC(O)C23C)C
InChi:	InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
Definition date:	2000-02-08
Last modified:	2011-06-04
Identifier:	(3alpha,5beta,7alpha,8alpha,12alpha,14beta,17alpha)-3,7,12-trihydroxycholan-24-oic acid

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