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D56

D56
Name:	4-(2-aminoethoxy)-N-(3-chloro-2-ethoxy-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide
Formula:	C24 H32 Cl N3 O3
SMILES:	O=C(c1cc(c(OCCN)c(c1)C)C)Nc2cc(cc(Cl)c2OCC)N3CCCCC3
InChi:	InChI=1S/C24H32ClN3O3/c1-4-30-23-20(25)14-19(28-9-6-5-7-10-28)15-21(23)27-24(29)18-12-16(2)22(17(3)13-18)31-11-8-26/h12-15H,4-11,26H2,1-3H3,(H,27,29)
Definition date:	2007-12-05
Last modified:	2011-06-04
Identifier:	4-(2-aminoethoxy)-N-(3-chloro-2-ethoxy-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide

D5M

D5M
Name:	2'-DEOXYADENOSINE-5'-MONOPHOSPHATE
Formula:	C10 H14 N5 O6 P
SMILES:	O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O
InChi:	InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1
Definition date:	2005-05-03
Last modified:	2011-06-04
Identifier:	2'-deoxy-5'-adenylic acid

D64

D64
Name:	6-(4-methylphenyl)quinazoline-2,4-diamine
Formula:	C15 H14 N4
SMILES:	n3c1c(cc(cc1)c2ccc(cc2)C)c(nc3N)N
InChi:	InChI=1S/C15H14N4/c1-9-2-4-10(5-3-9)11-6-7-13-12(8-11)14(16)19-15(17)18-13/h2-8H,1H3,(H4,16,17,18,19)
Definition date:	2008-07-29
Last modified:	2011-06-04
Identifier:	6-(4-methylphenyl)quinazoline-2,4-diamine

D71

D71
Name:	1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
Formula:	C19 H13 N5 O4
SMILES:	[O-][N+](=O)c4cccc(N2c1ncccc1C(=O)N(C2=O)Cc3ccncc3)c4
InChi:	InChI=1S/C19H13N5O4/c25-18-16-5-2-8-21-17(16)23(14-3-1-4-15(11-14)24(27)28)19(26)22(18)12-13-6-9-20-10-7-13/h1-11H,12H2
Definition date:	2009-02-16
Last modified:	2011-06-04
Identifier:	1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione

D72

D72
Name:	(2R)-6,8-dichloro-7-(2-methylpropoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
Formula:	C15 H13 Cl2 F3 O4
SMILES:	O=C(O)C1=Cc2c(OC1C(F)(F)F)c(Cl)c(OCC(C)C)c(Cl)c2
InChi:	InChI=1S/C15H13Cl2F3O4/c1-6(2)5-23-12-9(16)4-7-3-8(14(21)22)13(15(18,19)20)24-11(7)10(12)17/h3-4,6,13H,5H2,1-2H3,(H,21,22)/t13-/m1/s1
Definition date:	2010-07-13
Last modified:	2011-06-04
Identifier:	(2R)-6,8-dichloro-7-(2-methylpropoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

D7K

D7K
Name:	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium
Formula:	C20 H28 N4 O11 P3 S
SMILES:	O=P(O)(OP(=O)(O)O)OCCc1sc([n+](c1C)Cc2cnc(nc2N)C)C(O)(c3ccccc3)P(=O)(OC)O
InChi:	InChI=1S/C20H27N4O11P3S/c1-13-17(9-10-34-38(31,32)35-37(28,29)30)39-19(24(13)12-15-11-22-14(2)23-18(15)21)20(25,36(26,27)33-3)16-7-5-4-6-8-16/h4-8,11,25H,9-10,12H2,1-3H3,(H5-,21,22,23,26,27,28,29,30,31,32)/p+1/t20-/m0/s1
Definition date:	2008-05-22
Last modified:	2011-06-04
Identifier:	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium

D8G

D8G
Name:	6-(2-fluorobenzyl)-2,4-dimethyl-4,6-dihydro-5H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one
Formula:	C17 H14 F N3 O S
SMILES:	Fc1ccccc1CN2N=Cc4c(C2=O)n(c3c4sc(c3)C)C
InChi:	InChI=1S/C17H14FN3OS/c1-10-7-14-16(23-10)12-8-19-21(17(22)15(12)20(14)2)9-11-5-3-4-6-13(11)18/h3-8H,9H2,1-2H3
Definition date:	2009-04-24
Last modified:	2011-06-04
Identifier:	6-(2-fluorobenzyl)-2,4-dimethyl-4,6-dihydro-5H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one

D8W

D8W
Name:	5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide
Formula:	C8 H8 N4 O4 S3
SMILES:	O=S(=O)(c1nnc(s1)NS(=O)(=O)c2ccccc2)N
InChi:	InChI=1S/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14)
Definition date:	2008-05-27
Last modified:	2011-06-04
Identifier:	5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide

D94

D94
Name:	3-[cis-3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
Formula:	C30 H31 N7
SMILES:	n2c1cc(ccc1ccc2c3ccccc3)c5nc(n4ccnc(N)c45)C7CC(N6CCN(CC6)C)C7
InChi:	InChI=1S/C30H31N7/c1-35-13-15-36(16-14-35)24-17-23(18-24)30-34-27(28-29(31)32-11-12-37(28)30)22-8-7-21-9-10-25(33-26(21)19-22)20-5-3-2-4-6-20/h2-12,19,23-24H,13-18H2,1H3,(H2,31,32)/t23-,24+
Definition date:	2008-05-27
Last modified:	2011-06-04
Identifier:	3-[cis-3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine

D9G

D9G
Name:	N-DODECYL-N,N-DIMETHYLGLYCINATE
Formula:	C16 H33 N O2
SMILES:	[O-]C(=O)C[N+](CCCCCCCCCCCC)(C)C
InChi:	InChI=1S/C16H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-17(2,3)15-16(18)19/h4-15H2,1-3H3
Definition date:	2005-03-15
Last modified:	2011-06-04
Identifier:	[dodecyl(dimethyl)ammonio]acetate

D9H

D9H
Name:	4-({4-chloro-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonamide
Formula:	C11 H13 Cl N6 O3 S
SMILES:	Clc1nc(nc(n1)NCCO)Nc2ccc(cc2)S(=O)(=O)N
InChi:	InChI=1S/C11H13ClN6O3S/c12-9-16-10(14-5-6-19)18-11(17-9)15-7-1-3-8(4-2-7)22(13,20)21/h1-4,19H,5-6H2,(H2,13,20,21)(H2,14,15,16,17,18)
Definition date:	2010-04-21
Last modified:	2011-06-04
Identifier:	4-({4-chloro-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonamide

D9Z

D9Z
Name:	5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide
Formula:	C8 H6 Cl N3 O2 S2
SMILES:	O=S(=O)(c1nnc(s1)c2c(Cl)cccc2)N
InChi:	InChI=1S/C8H6ClN3O2S2/c9-6-4-2-1-3-5(6)7-11-12-8(15-7)16(10,13)14/h1-4H,(H2,10,13,14)
Definition date:	2008-06-03
Last modified:	2011-06-04
Identifier:	5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide

DA3

DA3
Name:	(2S,5',S)-2-AMINO-3-(3-CARBOXY-2-ISOXAZOLIN-5-YL)PROPANOIC ACID
Formula:	C7 H10 N2 O5
SMILES:	O=C(O)C1=NOC(CC(C(=O)O)N)C1
InChi:	InChI=1S/C7H10N2O5/c8-4(6(10)11)1-3-2-5(7(12)13)9-14-3/h3-4H,1-2,8H2,(H,10,11)(H,12,13)/t3-,4-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(5S)-5-[(2S)-2-amino-2-carboxyethyl]-4,5-dihydroisoxazole-3-carboxylic acid

DA7

DA7
Name:	5-FLUORO-9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-4-CARBOXAMIDE
Formula:	C18 H19 F N4 O
SMILES:	O=C(NCCN(C)C)c2c1nc3c(c(c1ccc2)N)cccc3F
InChi:	InChI=1S/C18H19FN4O/c1-23(2)10-9-21-18(24)13-7-3-5-11-15(20)12-6-4-8-14(19)17(12)22-16(11)13/h3-8H,9-10H2,1-2H3,(H2,20,22)(H,21,24)
Definition date:	1999-12-13
Last modified:	2011-06-04
Identifier:	9-amino-N-[2-(dimethylamino)ethyl]-5-fluoroacridine-4-carboxamide

DAA

DAA
Name:	8-AMINO-7-CARBOXYAMINO-NONANOIC ACID WITH ALUMINUM FLUORIDE
Formula:	C10 H19 Al F3 N2 O4
SMILES:	F[Al-](F)(F)OC(=O)NC(C(N)C)CCCCCC(=O)O
InChi:	InChI=1S/C10H20N2O4.Al.3FH/c1-7(11)8(12-10(15)16)5-3-2-4-6-9(13)14
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	{(7R,8S)-8-amino-7-[(carboxy-kappaO)amino]nonanoato}(trifluoro)aluminate(1-)

DAD

DAD
Name:	2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATE
Formula:	C10 H16 N5 O11 P3
SMILES:	Nc1ncnc2n(cnc12)[CH]3CC[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3
InChi:	InChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(24-7)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h4-7H,1-3H2,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)/t6-,7+/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	[[(2R,5S)-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate

Y8L

Y8L
Name:	3,4-DIMETHYL-5-(2-{[(1Z)-4-PIPERAZIN-1-YLCYCLOHEXA-2,4-DIEN-1-YLIDENE]AMINO}PYRIMIDIN-4-YL)-1,3-THIAZOL-2(3H)-ONE
Formula:	C19 H22 N6 O S
SMILES:	O=C4SC(c3nc(/N=C2C=CC(N1CCNCC1)=CC2)ncc3)=C(N4C)C
InChi:	InChI=1S/C19H22N6OS/c1-13-17(27-19(26)24(13)2)16-7-8-21-18(23-16)22-14-3-5-15(6-4-14)25-11-9-20-10-12-25/h3,5-8,20H,4,9-12H2,1-2H3/b22-14+
Definition date:	2010-08-01
Last modified:	2011-06-04
Identifier:	3,4-dimethyl-5-(2-{[(1Z)-4-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene]amino}pyrimidin-4-yl)-1,3-thiazol-2(3H)-one

DAE

DAE
Name:	O,P-DINITROPHENYL AMINOETHYLDIPHOSPHATE-BERYLLIUM TRIFLUORIDE
Formula:	C8 H10 Be F3 N3 O11 P2
SMILES:	O[P](=O)(OCCNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)O[P](O)(=O)O[Be-](F)(F)F
InChi:	InChI=1S/C8H11N3O11P2.Be.3FH/c12-10(13)6-1-2-7(8(5-6)11(14)15)9-3-4-21-24(19,20)22-23(16,17)18
Definition date:	1999-09-22
Last modified:	2011-06-04
Identifier:	[[2-[(2,4-dinitrophenyl)amino]ethoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-trifluoro-beryllium

DAJ

DAJ
Name:	DECARBAMOYL-2,7-DIAMINOMITOSENE
Formula:	C13 H16 N3 O2
SMILES:	O=C1c2c(C(=O)C(N)=C1C)c(c3n2CC(C3)[NH3+])C
InChi:	InChI=1S/C13H15N3O2/c1-5-8-3-7(14)4-16(8)11-9(5)13(18)10(15)6(2)12(11)17/h7H,3-4,14-15H2,1-2H3/p+1/t7-/m1/s1
Definition date:	2001-08-01
Last modified:	2011-06-04
Identifier:	(2R)-7-amino-6,9-dimethyl-5,8-dioxo-2,3,5,8-tetrahydro-1H-pyrrolo[1,2-a]indol-2-aminium

DAK

DAK
Name:	4-(N,N-DIMETHYLAMINO)CINNAMOYL-COA
Formula:	C32 H47 N8 O17 P3 S
SMILES:	O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C=Cc4ccc(N(C)C)cc4
InChi:	InChI=1S/C32H47N8O17P3S/c1-32(2,27(44)30(45)35-12-11-22(41)34-13-14-61-23(42)10-7-19-5-8-20(9-6-19)39(3)4)16-54-60(51,52)57-59(49,50)53-15-21-26(56-58(46,47)48)25(43)31(55-21)40-18-38-24-28(33)36-17-37-29(24)40/h5-10,17-18,21,25-27,31,43-44H,11-16H2,1-4H3,(H,34,41)(H,35,45)(H,49,50)(H,51,52)(H2,33,36,37)(H2,46,47,48)/b10-7+/t21-,25-,26-,27+,31-/m1/s1
Definition date:	2000-01-14
Last modified:	2011-06-04
Identifier:	S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} (2E)-3-[4-(dimethylamino)phenyl]prop-2-enethioate (non-preferred name)

DAP

DAP
Name:	6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE
Formula:	C16 H15 N5
SMILES:	[N@H]=C(N)c3ccc(c2cc1ccc(cc1n2)C(=[N@H])N)cc3
InChi:	InChI=1S/C16H15N5/c17-15(18)10-3-1-9(2-4-10)13-7-11-5-6-12(16(19)20)8-14(11)21-13/h1-8,21H,(H3,17,18)(H3,19,20)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide

DAQ

DAQ
Name:	O,P-DINITROPHENYL AMINOPROPYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE
Formula:	C9 H12 Be F3 N3 O11 P2
SMILES:	O[P](=O)(OCCCNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)O[P](O)(=O)O[Be](F)(F)F
InChi:	InChI=1S/C9H13N3O11P2.Be.3FH/c13-11(14)7-2-3-8(9(6-7)12(15)16)10-4-1-5-22-25(20,21)23-24(17,18)19
Definition date:	1999-09-22
Last modified:	2011-06-04
Identifier:	[[3-[(2,4-dinitrophenyl)amino]propoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-trifluoro-beryllium

DAX

DAX
Name:	5-BROMO-N[2-(DIMETHYLAMINO)ETHYL]-9-AMINOACRIDINE-4-CARBOXAMIDE
Formula:	C18 H21 Br N4 O
SMILES:	O=C(NCC[NH+](C)C)c1c3c(ccc1)c(c2cccc(Br)c2[nH+]3)N
InChi:	InChI=1S/C18H19BrN4O/c1-23(2)10-9-21-18(24)13-7-3-5-11-15(20)12-6-4-8-14(19)17(12)22-16(11)13/h3-8H,9-10H2,1-2H3,(H2,20,22)(H,21,24)/p+2
Definition date:	2002-07-22
Last modified:	2011-06-04
Identifier:	9-amino-4-bromo-5-{[2-(dimethylammonio)ethyl]carbamoyl}acridinium

DB0

DB0
Name:	N-(DIBENZO[B,F]OXEPIN-10-YLMETHYL)-N-METHYL-N-PROP-2-YNYLAMINE
Formula:	C19 H17 N O
SMILES:	C#CCN(C)CC1=Cc3c(Oc2c1cccc2)cccc3
InChi:	InChI=1S/C19H17NO/c1-3-12-20(2)14-16-13-15-8-4-6-10-18(15)21-19-11-7-5-9-17(16)19/h1,4-11,13H,12,14H2,2H3
Definition date:	2005-12-27
Last modified:	2011-06-04
Identifier:	N-(dibenzo[b,f]oxepin-10-ylmethyl)-N-methylprop-2-yn-1-amine

DB3

DB3
Name:	(11Z,14E)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide
Formula:	C44 H83 N O9
SMILES:	O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCCCCC=C/C/C=C/CCCCC
InChi:	InChI=1S/C44H83NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-39(48)45-36(35-53-44-43(52)42(51)41(50)38(34-46)54-44)40(49)37(47)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h11,13,17-18,36-38,40-44,46-47,49-52H,3-10,12,14-16,19-35H2,1-2H3,(H,45,48)/b13-11+,18-17-/t36-,37+,38+,40-,41-,42-,43+,44-/m0/s1
Definition date:	2010-12-06
Last modified:	2011-06-04
Identifier:	(11Z,14E)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide

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