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5OC

5OC
Name:	2'-deoxy-5-hydroxycytidine 5'-(dihydrogen phosphate)
Formula:	C9 H14 N3 O8 P
SMILES:	O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C(O)=C1)CC2O
InChi:	InChI=1S/C9H14N3O8P/c10-8-5(14)2-12(9(15)11-8)7-1-4(13)6(20-7)3-19-21(16,17)18/h2,4,6-7,13-14H,1,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6+,7+/m0/s1
Definition date:	2011-08-15
Last modified:	2011-11-04
Identifier:	2'-deoxy-5-hydroxycytidine 5'-(dihydrogen phosphate)

TGE

TGE
Name:	7-(6-methoxypyridin-3-yl)-3-{[2-(morpholin-4-yl)ethyl]amino}-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2(1H)-one
Formula:	C24 H32 N6 O4
SMILES:	O=C2N(c3cc(ncc3N=C2NCCN1CCOCC1)c4ccc(OC)nc4)CCOCCC
InChi:	InChI=1S/C24H32N6O4/c1-3-11-33-14-10-30-21-15-19(18-4-5-22(32-2)27-16-18)26-17-20(21)28-23(24(30)31)25-6-7-29-8-12-34-13-9-29/h4-5,15-17H,3,6-14H2,1-2H3,(H,25,28)
Definition date:	2011-08-25
Last modified:	2011-11-04
Identifier:	7-(6-methoxypyridin-3-yl)-3-{[2-(morpholin-4-yl)ethyl]amino}-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2(1H)-one

QUL

QUL
Name:	N,N-diethyl-N'-(10H-indolo[3,2-b]quinolin-11-yl)ethane-1,2-diamine
Formula:	C21 H24 N4
SMILES:	n2c1ccccc1c(c4c2c3ccccc3n4)NCCN(CC)CC
InChi:	InChI=1S/C21H24N4/c1-3-25(4-2)14-13-22-19-15-9-5-7-11-17(15)23-20-16-10-6-8-12-18(16)24-21(19)20/h5-12,24H,3-4,13-14H2,1-2H3,(H,22,23)
Definition date:	2011-01-12
Last modified:	2011-11-04
Identifier:	N,N-diethyl-N'-(10H-indolo[3,2-b]quinolin-11-yl)ethane-1,2-diamine

X95

X95
Name:	(S)-1-N2-(1-CARBOXY-3-PHENYLPROPYL)-L-LYSYL-L-TRYPTOPHAN
Formula:	C27 H34 N4 O5
SMILES:	O=C(O)C(NC(C(=O)NC(C(=O)O)Cc2c1ccccc1nc2)CCCCN)CCc3ccccc3
InChi:	InChI=1S/C27H34N4O5/c28-15-7-6-12-22(30-23(26(33)34)14-13-18-8-2-1-3-9-18)25(32)31-24(27(35)36)16-19-17-29-21-11-5-4-10-20(19)21/h1-5,8-11,17,22-24,29-30H,6-7,12-16,28H2,(H,31,32)(H,33,34)(H,35,36)/t22-,23-,24+/m0/s1
Definition date:	2010-03-14
Last modified:	2011-11-03
Identifier:	N~2~-[(1S)-1-carboxy-3-phenylpropyl]-L-lysyl-D-tryptophan

VNR

VNR
Name:	1-deoxy-1-[(4aR)-4a-[(2Z)-2-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)but-2-en-1-yl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol
Formula:	C23 H35 N4 O16 P3
SMILES:	O=P(O)(O)OCC(O)C(O)C(O)CN2C3=NC(=O)NC(=O)C3(Nc1cc(c(cc12)C)C)CC(=C/C)/CCOP(=O)(O)OP(=O)(O)O
InChi:	InChI=1S/C23H35N4O16P3/c1-4-14(5-6-41-46(39,40)43-45(36,37)38)9-23-20(24-22(32)25-21(23)31)27(16-8-13(3)12(2)7-15(16)26-23)10-17(28)19(30)18(29)11-42-44(33,34)35/h4,7-8,17-19,26,28-30H,5-6,9-11H2,1-3H3,(H,39,40)(H,25,31,32)(H2,33,34,35)(H2,36,37,38)/b14-4+/t17-,18+,19-,23+/m0/s1
Definition date:	2011-06-15
Last modified:	2011-10-28
Identifier:	1-deoxy-1-[(4aR)-4a-[(2Z)-2-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)but-2-en-1-yl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol

P5K

P5K
Name:	1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea
Formula:	C24 H27 N3 O4 S2
SMILES:	O=C(Nc2sc(cc2C(=O)N1CCS(=O)(=O)CC1)C(C)(C)C)Nc4c3ccccc3ccc4
InChi:	InChI=1S/C24H27N3O4S2/c1-24(2,3)20-15-18(22(28)27-11-13-33(30,31)14-12-27)21(32-20)26-23(29)25-19-10-6-8-16-7-4-5-9-17(16)19/h4-10,15H,11-14H2,1-3H3,(H2,25,26,29)
Definition date:	2010-10-12
Last modified:	2011-10-28
Identifier:	1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea

07M

07M
Name:	8-{[(2-cyanopyridin-3-yl)methyl]sulfanyl}-6-hydroxy-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Formula:	C16 H12 N4 O2 S
SMILES:	N#Cc1ncccc1CSc2nc(O)c(C#N)c3c2COCC3
InChi:	InChI=1S/C16H12N4O2S/c17-6-12-11-3-5-22-8-13(11)16(20-15(12)21)23-9-10-2-1-4-19-14(10)7-18/h1-2,4H,3,5,8-9H2,(H,20,21)
Definition date:	2011-09-29
Last modified:	2011-10-28
Identifier:	8-{[(2-cyanopyridin-3-yl)methyl]sulfanyl}-6-hydroxy-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile

OOP

OOP
Name:	1-deoxy-1-[(4aR)-4a-[(2R)-1-hydroxy-5-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-3-methylidenepentan-2-yl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol
Formula:	C23 H35 N4 O17 P3
SMILES:	O=P(O)(O)OCC(O)C(O)C(O)CN2C3=NC(=O)NC(=O)C3(Nc1cc(c(cc12)C)C)C(C(=C)/CCOP(=O)(O)OP(=O)(O)O)CO
InChi:	InChI=1S/C23H35N4O17P3/c1-11(4-5-42-47(40,41)44-46(37,38)39)14(9-28)23-20(24-22(33)25-21(23)32)27(16-7-13(3)12(2)6-15(16)26-23)8-17(29)19(31)18(30)10-43-45(34,35)36/h6-7,14,17-19,26,28-31H,1,4-5,8-10H2,2-3H3,(H,40,41)(H,25,32,33)(H2,34,35,36)(H2,37,38,39)/t14-,17+,18-,19+,23-/m1/s1
Definition date:	2011-06-17
Last modified:	2011-10-28
Identifier:	1-deoxy-1-[(4aR)-4a-[(2R)-1-hydroxy-5-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-3-methylidenepentan-2-yl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol

AA
Name:	9-AMINOACRIDINE
Formula:	C13 H11 N2
SMILES:	Nc1c2ccccc2[nH+]c3ccccc13
InChi:	InChI=1S/C13H10N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H,(H2,14,15)/p+1
Definition date:	1999-07-08
Last modified:	2011-10-28
Identifier:	acridin-10-ium-9-amine

79W

79W
Name:	3-[(2S)-1,1-DIOXIDO-4-OXOTETRAHYDROTHIOPHEN-2-YL]BENZALDEHYDE
Formula:	C11 H10 O4 S
SMILES:	O=S2(=O)CC(=O)CC2c1cc(C=O)ccc1
InChi:	InChI=1S/C11H10O4S/c12-6-8-2-1-3-9(4-8)11-5-10(13)7-16(11,14)15/h1-4,6,11H,5,7H2/t11-/m0/s1
Definition date:	2011-03-24
Last modified:	2011-10-28
Identifier:	3-[(2S)-1,1-dioxido-4-oxotetrahydrothiophen-2-yl]benzaldehyde

41L

41L
Name:	N-(1H-benzimidazol-1-yl)-2-phenylacetamide
Formula:	C15 H13 N3 O
SMILES:	O=C(Nn1c2ccccc2nc1)Cc3ccccc3
InChi:	InChI=1S/C15H13N3O/c19-15(10-12-6-2-1-3-7-12)17-18-11-16-13-8-4-5-9-14(13)18/h1-9,11H,10H2,(H,17,19)
Definition date:	2010-11-19
Last modified:	2011-10-28
Identifier:	N-(1H-benzimidazol-1-yl)-2-phenylacetamide

980

980
Name:	(2S)-1-(4-{[2-(2-aminopyrimidin-5-yl)-7-methyl-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl}piperazin-1-yl)-2-hydroxypropan-1-one
Formula:	C23 H30 N8 O3 S
SMILES:	O=C(N1CCN(CC1)Cc3sc2c(nc(nc2c3C)c4cnc(nc4)N)N5CCOCC5)C(O)C
InChi:	InChI=1S/C23H30N8O3S/c1-14-17(13-29-3-5-31(6-4-29)22(33)15(2)32)35-19-18(14)27-20(16-11-25-23(24)26-12-16)28-21(19)30-7-9-34-10-8-30/h11-12,15,32H,3-10,13H2,1-2H3,(H2,24,25,26)/t15-/m0/s1
Definition date:	2011-09-02
Last modified:	2011-10-28
Identifier:	(2S)-1-(4-{[2-(2-aminopyrimidin-5-yl)-7-methyl-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl}piperazin-1-yl)-2-hydroxypropan-1-one

BXL

BXL
Name:	(3E)-N~8~-(2-aminophenyl)-N~1~-phenyloct-3-enediamide
Formula:	C20 H23 N3 O2
SMILES:	O=C(Nc1ccccc1N)CCC/C=C/CC(=O)Nc2ccccc2
InChi:	InChI=1S/C20H23N3O2/c21-17-12-8-9-13-18(17)23-20(25)15-7-2-1-6-14-19(24)22-16-10-4-3-5-11-16/h1,3-6,8-13H,2,7,14-15,21H2,(H,22,24)(H,23,25)/b6-1+
Definition date:	2010-05-07
Last modified:	2011-10-28
Identifier:	(3E)-N~8~-(2-aminophenyl)-N~1~-phenyloct-3-enediamide

F7L

F7L
Name:	(2S)-1-[(2-fluorobenzyl)oxy]-3-(pyrrolidin-1-yl)propan-2-ol
Formula:	C14 H20 F N O2
SMILES:	Fc1ccccc1COCC(O)CN2CCCC2
InChi:	InChI=1S/C14H20FNO2/c15-14-6-2-1-5-12(14)10-18-11-13(17)9-16-7-3-4-8-16/h1-2,5-6,13,17H,3-4,7-11H2/t13-/m0/s1
Definition date:	2010-11-18
Last modified:	2011-10-28
Identifier:	(2S)-1-[(2-fluorobenzyl)oxy]-3-(pyrrolidin-1-yl)propan-2-ol

F90

F90
Name:	4-chlorobenzyl carbamimidothioate
Formula:	C8 H9 Cl N2 S
SMILES:	Clc1ccc(cc1)CSC(=[N@H])N
InChi:	InChI=1S/C8H9ClN2S/c9-7-3-1-6(2-4-7)5-12-8(10)11/h1-4H,5H2,(H3,10,11)
Definition date:	2010-11-16
Last modified:	2011-10-28
Identifier:	4-chlorobenzyl carbamimidothioate

F91

F91
Name:	N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
Formula:	C14 H14 N2 O2
SMILES:	O1c2c(OCC1)cc(cc2)NCc3ccncc3
InChi:	InChI=1S/C14H14N2O2/c1-2-13-14(18-8-7-17-13)9-12(1)16-10-11-3-5-15-6-4-11/h1-6,9,16H,7-8,10H2
Definition date:	2010-11-05
Last modified:	2011-10-28
Identifier:	N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine

CZ0

CZ0
Name:	8-hydroxy-4-methyl-9-nitro-2H-benzo[g]chromen-2-one
Formula:	C14 H9 N O5
SMILES:	[O-][N+](=O)c3c2cc1OC(=O)C=C(c1cc2ccc3O)C
InChi:	InChI=1S/C14H9NO5/c1-7-4-13(17)20-12-6-10-8(5-9(7)12)2-3-11(16)14(10)15(18)19/h2-6,16H,1H3
Definition date:	2010-11-09
Last modified:	2011-10-28
Identifier:	8-hydroxy-4-methyl-9-nitro-2H-benzo[g]chromen-2-one

F06

F06
Name:	2-chlorobenzyl carbamimidothioate
Formula:	C8 H9 Cl N2 S
SMILES:	Clc1ccccc1CSC(=[N@H])N
InChi:	InChI=1S/C8H9ClN2S/c9-7-4-2-1-3-6(7)5-12-8(10)11/h1-4H,5H2,(H3,10,11)
Definition date:	2010-11-16
Last modified:	2011-10-28
Identifier:	2-chlorobenzyl carbamimidothioate

F5N

F5N
Name:	2-(imidazo[1,2-a]pyridin-2-yl)-N-phenylacetamide
Formula:	C15 H13 N3 O
SMILES:	O=C(Nc1ccccc1)Cc2nc3ccccn3c2
InChi:	InChI=1S/C15H13N3O/c19-15(17-12-6-2-1-3-7-12)10-13-11-18-9-5-4-8-14(18)16-13/h1-9,11H,10H2,(H,17,19)
Definition date:	2010-11-18
Last modified:	2011-10-28
Identifier:	2-(imidazo[1,2-a]pyridin-2-yl)-N-phenylacetamide

3ME

3ME
Name:	2'-O-{2-[2-(dimethylamino)ethoxy]ethyl}-5-methyluridine 5'-(dihydrogen phosphate)
Formula:	C16 H28 N3 O10 P
SMILES:	O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)C)C(OCCOCCN(C)C)C2O
InChi:	InChI=1S/C16H28N3O10P/c1-10-8-19(16(22)17-14(10)21)15-13(27-7-6-26-5-4-18(2)3)12(20)11(29-15)9-28-30(23,24)25/h8,11-13,15,20H,4-7,9H2,1-3H3,(H,17,21,22)(H2,23,24,25)/t11-,12-,13-,15-/m1/s1
Definition date:	2003-03-04
Last modified:	2011-10-27
Identifier:	2'-O-{2-[2-(dimethylamino)ethoxy]ethyl}-5-methyluridine 5'-(dihydrogen phosphate)

R12

R12
Name:	(2E,4E,6E,8E)-9-(4-hydroxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
Formula:	C20 H24 O3
SMILES:	O=C(O)C=C(C=CC=C(C=Cc1c(cc(O)c(c1C)C)C)C)C
InChi:	InChI=1S/C20H24O3/c1-13(7-6-8-14(2)11-20(22)23)9-10-18-15(3)12-19(21)17(5)16(18)4/h6-12,21H,1-5H3,(H,22,23)/b8-6+,10-9+,13-7+,14-11+
Definition date:	1999-07-08
Last modified:	2011-10-25
Identifier:	(2E,4E,6E,8E)-9-(4-hydroxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid

LRU

LRU
Name:	LAMBDA-BIS(2,2'-BIPYRIDINE)IMIDAZOLE RUTHENIUM (II)
Formula:	C23 H19 N6 Ru
SMILES:	n1ccn(c1)[Ru+2]73(n4c(c2ccccn23)cccc4)n5ccccc5c6ccccn67
InChi:	InChI=1S/2C10H8N2.C3H3N2.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10
Definition date:	2001-10-02
Last modified:	2011-10-25
Identifier:	bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)(1H-imidazol-1-yl)ruthenium(2+)

DRU

DRU
Name:	DELTA-BIS(2,2'-BIPYRIDINE)IMIDAZOLE RUTHENIUM (II)
Formula:	C23 H19 N6 Ru
SMILES:	n1ccn(c1)[Ru+2]73(n4c(c2ccccn23)cccc4)n5ccccc5c6ccccn67
InChi:	InChI=1S/2C10H8N2.C3H3N2.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10
Definition date:	2011-10-25
Last modified:	2011-10-25
Identifier:	bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)(1H-imidazol-1-yl)ruthenium(2+)

5MA

5MA
Name:	1-(2,5-dichloro-3-{[5-chloro-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-benzotriazol-4-yl]oxy}phenyl)methanamine
Formula:	C20 H14 Cl3 N7 O
SMILES:	Clc5cc(Oc4c(Cl)ccc1c4nnn1Cc2c3cccnc3nn2)c(Cl)c(c5)CN
InChi:	InChI=1S/C20H14Cl3N7O/c21-11-6-10(8-24)17(23)16(7-11)31-19-13(22)3-4-15-18(19)27-29-30(15)9-14-12-2-1-5-25-20(12)28-26-14/h1-7H,8-9,24H2,(H,25,26,28)
Definition date:	2011-07-22
Last modified:	2011-10-21
Identifier:	1-(2,5-dichloro-3-{[5-chloro-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-benzotriazol-4-yl]oxy}phenyl)methanamine

TZG

TZG
Name:	(S)-2-amino-3-(2-(2-carboxyethyl)-5-chloro-4-nitrophenyl)propionic acid
Formula:	C12 H13 Cl N2 O6
SMILES:	O=[N+]([O-])c1cc(c(cc1Cl)CC(C(=O)O)N)CCC(=O)O
InChi:	InChI=1S/C12H13ClN2O6/c13-8-3-7(4-9(14)12(18)19)6(1-2-11(16)17)5-10(8)15(20)21/h3,5,9H,1-2,4,14H2,(H,16,17)(H,18,19)/t9-/m0/s1
Definition date:	2011-10-04
Last modified:	2011-10-21
Identifier:	2-(2-carboxyethyl)-5-chloro-4-nitro-L-phenylalanine

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