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HR1

HR1
Name:	(3R,5R)-7-[1-(4-FLUOROPHENYL)-3-ISOPROPYL-4-OXO-5-PHENYL-4,5-DIHYDRO-3H-PYRROLO[2,3-C]QUINOLIN-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID
Formula:	C33 H33 F N2 O5
SMILES:	O=C(O)CC(O)CC(O)CCc3c(c2c1c(cccc1)N(C(=O)c2n3C(C)C)c4ccccc4)c5ccc(F)cc5
InChi:	InChI=1S/C33H33FN2O5/c1-20(2)35-28(17-16-24(37)18-25(38)19-29(39)40)30(21-12-14-22(34)15-13-21)31-26-10-6-7-11-27(26)36(33(41)32(31)35)23-8-4-3-5-9-23/h3-15,20,24-25,37-38H,16-19H2,1-2H3,(H,39,40)/t24-,25-/m1/s1
Definition date:	2007-06-12
Last modified:	2011-06-04
Identifier:	(3R,5R)-7-[1-(4-fluorophenyl)-3-(1-methylethyl)-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo[2,3-c]quinolin-2-yl]-3,5-dihydroxyheptanoic acid

600

600
Name:	6-[4-((2S)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-2-PHENYLPROPYL)PHENYL]-2-[(1S)-1-METHOXY-3-METHYLBUTYL]QUINOLIN-8-YLPHOSPHONIC ACID
Formula:	C43 H42 F2 N4 O7 P2
SMILES:	O=P(O)(O)c1c7nc(ccc7cc(c1)c2ccc(cc2)CC(c3ccccc3)(n5nnc4ccccc45)Cc6ccc(cc6)C(F)(F)P(=O)(O)O)C(OC)CC(C)C
InChi:	InChI=1S/C43H42F2N4O7P2/c1-28(2)23-39(56-3)37-22-19-32-24-33(25-40(41(32)46-37)57(50,51)52)31-17-13-29(14-18-31)26-42(34-9-5-4-6-10-34,49-38-12-8-7-11-36(38)47-48-49)27-30-15-20-35(21-16-30)43(44,45)58(53,54)55/h4-22,24-25,28,39H,23,26-27H2,1-3H3,(H2,50,51,52)(H2,53,54,55)/t39-,42+/m0/s1
Definition date:	2003-08-19
Last modified:	2011-06-04
Identifier:	(6-{4-[(2R)-2-(1H-benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-phenylpropyl]phenyl}-2-[(1S)-1-methoxy-3-methylbutyl]quinolin-8-yl)phosphonic acid

609

609
Name:	7-oxo-7H-benzimidazo[2,1-a]benz[de]isoquinoline-3-carboxylic acid
Formula:	C19 H10 N2 O3
SMILES:	O=C(O)c5c3cccc4C(=O)n1c(nc2ccccc12)c(c34)cc5
InChi:	InChI=1S/C19H10N2O3/c22-18-13-5-3-4-10-11(19(23)24)8-9-12(16(10)13)17-20-14-6-1-2-7-15(14)21(17)18/h1-9H,(H,23,24)
Definition date:	2008-11-04
Last modified:	2011-06-04
Identifier:	7-oxo-7H-benzimidazo[2,1-a]benzo[de]isoquinoline-3-carboxylic acid

615

615
Name:	(1R,2S)-N~2~-hydroxy-1-{4-[(2-phenylquinolin-4-yl)methoxy]benzyl}cyclopropane-1,2-dicarboxamide
Formula:	C28 H25 N3 O4
SMILES:	O=C(NO)C1CC1(C(=O)N)Cc5ccc(OCc2c4ccccc4nc(c2)c3ccccc3)cc5
InChi:	InChI=1S/C28H25N3O4/c29-27(33)28(16-23(28)26(32)31-34)15-18-10-12-21(13-11-18)35-17-20-14-25(19-6-2-1-3-7-19)30-24-9-5-4-8-22(20)24/h1-14,23,34H,15-17H2,(H2,29,33)(H,31,32)/t23-,28+/m1/s1
Definition date:	2008-08-22
Last modified:	2011-06-04
Identifier:	(1R,2S)-N~2~-hydroxy-1-{4-[(2-phenylquinolin-4-yl)methoxy]benzyl}cyclopropane-1,2-dicarboxamide

61X

61X
Name:	4-{3-[3-(methylsulfonyl)phenoxy]phenyl}-8-(trifluoromethyl)quinoline
Formula:	C23 H16 F3 N O3 S
SMILES:	O=S(=O)(c4cccc(Oc3cccc(c1c2cccc(c2ncc1)C(F)(F)F)c3)c4)C
InChi:	InChI=1S/C23H16F3NO3S/c1-31(28,29)18-8-3-7-17(14-18)30-16-6-2-5-15(13-16)19-11-12-27-22-20(19)9-4-10-21(22)23(24,25)26/h2-14H,1H3
Definition date:	2009-10-29
Last modified:	2011-06-04
Identifier:	4-{3-[3-(methylsulfonyl)phenoxy]phenyl}-8-(trifluoromethyl)quinoline

HTC

HTC
Name:	3-{[(4-CARBOXY-2-HYDROXYANILINE]SULFONYL}THIOPHENE-2-CARBOXYLIC ACID
Formula:	C12 H9 N O7 S2
SMILES:	O=C(O)c1sccc1S(=O)(=O)Nc2ccc(C(=O)O)cc2O
InChi:	InChI=1S/C12H9NO7S2/c14-8-5-6(11(15)16)1-2-7(8)13-22(19,20)9-3-4-21-10(9)12(17)18/h1-5,13-14H,(H,15,16)(H,17,18)
Definition date:	2004-09-27
Last modified:	2011-06-04
Identifier:	3-[(4-carboxy-2-hydroxyphenyl)sulfamoyl]thiophene-2-carboxylic acid

HUB

HUB
Name:	HUPERZINE B
Formula:	C16 H20 N2 O
SMILES:	O=C1C=CC2=C(N1)CC3C=C(CC24NCCCC34)C
InChi:	InChI=1S/C16H20N2O/c1-10-7-11-8-14-13(4-5-15(19)18-14)16(9-10)12(11)3-2-6-17-16/h4-5,7,11-12,17H,2-3,6,8-9H2,1H3,(H,18,19)/t11-,12+,16+/m0/s1
Definition date:	2001-11-07
Last modified:	2011-06-04
Identifier:	(4aR,5R,10bR)-12-methyl-2,3,4,4a,5,6-hexahydro-1H-5,10b-prop[1]eno-1,7-phenanthrolin-8(7H)-one

HUX

HUX
Name:	3-CHLORO-9-ETHYL-6,7,8,9,10,11-HEXAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-12-AMINE
Formula:	C18 H19 Cl N2
SMILES:	Clc2ccc1c(N)c3c(nc1c2)CC4C=C(CC3C4)CC
InChi:	InChI=1S/C18H19ClN2/c1-2-10-5-11-7-12(6-10)17-16(8-11)21-15-9-13(19)3-4-14(15)18(17)20/h3-5,9,11-12H,2,6-8H2,1H3,(H2,20,21)/t11-,12+/m0/s1
Definition date:	2000-08-09
Last modified:	2011-06-04
Identifier:	(7S,11S)-3-chloro-9-ethyl-6,7,10,11-tetrahydro-7,11-methanocycloocta[b]quinolin-12-amine

HV8

HV8
Name:	BENZYL-2-AMINO-PARAMETHOXY-BENZYLSTATINE
Formula:	C19 H24 N2 O4
SMILES:	O=C(O)C(NCc1ccc(OC)cc1)C(O)C(N)Cc2ccccc2
InChi:	InChI=1S/C19H24N2O4/c1-25-15-9-7-14(8-10-15)12-21-17(19(23)24)18(22)16(20)11-13-5-3-2-4-6-13/h2-10,16-18,21-22H,11-12,20H2,1H3,(H,23,24)/t16-,17+,18+/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(3R,4S)-4-amino-3-hydroxy-N-(4-methoxybenzyl)-5-phenyl-D-norvaline

HY2

HY2
Name:	2-{2-[4-(3-{[(11aS)-7-methoxy-5-oxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy}propyl)piperazin-1-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
Formula:	C34 H39 N5 O5
SMILES:	O=C6N7C(CNc5cc(OCCCN4CCN(CCN3C(=O)c1c2c(ccc1)cccc2C3=O)CC4)c(OC)cc56)CCC7
InChi:	InChI=1S/C34H39N5O5/c1-43-29-20-27-28(35-22-24-8-4-12-38(24)34(27)42)21-30(29)44-19-5-11-36-13-15-37(16-14-36)17-18-39-32(40)25-9-2-6-23-7-3-10-26(31(23)25)33(39)41/h2-3,6-7,9-10,20-21,24,35H,4-5,8,11-19,22H2,1H3/t24-/m0/s1
Definition date:	2010-05-19
Last modified:	2011-06-04
Identifier:	2-{2-[4-(3-{[(11aS)-7-methoxy-5-oxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy}propyl)piperazin-1-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione

HYB

HYB
Name:	[2-(2-METHYL-PROPANE-2-SULFONYLMETHYL)-3-NAPHTHALEN-1-YL-PROPIONYL-VALINYL]-PHENYLALANINOL
Formula:	C32 H42 N2 O5 S
SMILES:	O=S(=O)(C(C)(C)C)CC(C(=O)NC(C(=O)NC(Cc1ccccc1)CO)C(C)C)Cc3c2ccccc2ccc3
InChi:	InChI=1S/C32H42N2O5S/c1-22(2)29(31(37)33-27(20-35)18-23-12-7-6-8-13-23)34-30(36)26(21-40(38,39)32(3,4)5)19-25-16-11-15-24-14-9-10-17-28(24)25/h6-17,22,26-27,29,35H,18-21H2,1-5H3,(H,33,37)(H,34,36)/t26-,27+,29+/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	N-[(1S)-1-benzyl-2-hydroxyethyl]-N~2~-[(2S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanoyl]-L-valinamide

I24

I24
Name:	2-butoxy-9-(2,6-difluorobenzyl)-N-(2-morpholin-4-ylethyl)-9H-purin-6-amine
Formula:	C22 H28 F2 N6 O2
SMILES:	Fc1cccc(F)c1Cn4cnc3c4nc(OCCCC)nc3NCCN2CCOCC2
InChi:	InChI=1S/C22H28F2N6O2/c1-2-3-11-32-22-27-20(25-7-8-29-9-12-31-13-10-29)19-21(28-22)30(15-26-19)14-16-17(23)5-4-6-18(16)24/h4-6,15H,2-3,7-14H2,1H3,(H,25,27,28)
Definition date:	2008-06-11
Last modified:	2011-06-04
Identifier:	2-butoxy-9-(2,6-difluorobenzyl)-N-(2-morpholin-4-ylethyl)-9H-purin-6-amine

N20

N20
Name:	6-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINE
Formula:	C18 H21 N5 O2
SMILES:	n2c1c(ncn1)c(nc2Nc3ccc(O)cc3)OCC4CCCCC4
InChi:	InChI=1S/C18H21N5O2/c24-14-8-6-13(7-9-14)21-18-22-16-15(19-11-20-16)17(23-18)25-10-12-4-2-1-3-5-12/h6-9,11-12,24H,1-5,10H2,(H2,19,20,21,22,23)
Definition date:	2003-06-10
Last modified:	2011-06-04
Identifier:	4-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}phenol

4HG

4HG
Name:	N-[(4-HYDROXY-8-IODOISOQUINOLIN-3-YL)CARBONYL]GLYCINE
Formula:	C12 H9 I N2 O4
SMILES:	O=C(O)CNC(=O)c2ncc1c(I)cccc1c2O
InChi:	InChI=1S/C12H9IN2O4/c13-8-3-1-2-6-7(8)4-14-10(11(6)18)12(19)15-5-9(16)17/h1-4,18H,5H2,(H,15,19)(H,16,17)
Definition date:	2006-02-22
Last modified:	2011-06-04
Identifier:	N-[(4-hydroxy-8-iodoisoquinolin-3-yl)carbonyl]glycine

NAF

NAF
Name:	M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
Formula:	C11 H15 F3 N O2
SMILES:	FC(F)(F)C(O)(O)c1cc(ccc1)[N+](C)(C)C
InChi:	InChI=1S/C11H15F3NO2/c1-15(2,3)9-6-4-5-8(7-9)10(16,17)11(12,13)14/h4-7,16-17H,1-3H3/q+1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	N,N,N-trimethyl-3-(2,2,2-trifluoro-1,1-dihydroxyethyl)anilinium

NCH

NCH
Name:	P-NITROPHENYL-PHOSPHOCHOLINE
Formula:	C11 H18 N2 O6 P
SMILES:	[O-][N+](=O)c1ccc(OP(=O)(OCC[N+](C)(C)C)O)cc1
InChi:	InChI=1S/C11H17N2O6P/c1-13(2,3)8-9-18-20(16,17)19-11-6-4-10(5-7-11)12(14)15/h4-7H,8-9H2,1-3H3/p+1
Definition date:	1999-12-09
Last modified:	2011-06-04
Identifier:	2-{[(S)-hydroxy(4-nitrophenoxy)phosphoryl]oxy}-N,N,N-trimethylethanaminium

4MF

4MF
Name:	1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-4-METHYL-1H-INDOLE
Formula:	C14 H18 N O6 P
SMILES:	O=P(O)(O)OCC3OC(n2ccc1c(cccc12)C)CC3O
InChi:	InChI=1S/C14H18NO6P/c1-9-3-2-4-11-10(9)5-6-15(11)14-7-12(16)13(21-14)8-20-22(17,18)19/h2-6,12-14,16H,7-8H2,1H3,(H2,17,18,19)/t12-,13+,14+/m0/s1
Definition date:	2007-03-16
Last modified:	2011-06-04
Identifier:	1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-4-methyl-1H-indole

NE8

NE8
Name:	6-AMINO-4-(2-PHENYLETHYL)-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE
Formula:	C17 H15 N5 O
SMILES:	O=C1NC(=Nc3c1cc2c(ncn2)c3CCc4ccccc4)N
InChi:	InChI=1S/C17H15N5O/c18-17-21-14-11(7-6-10-4-2-1-3-5-10)15-13(19-9-20-15)8-12(14)16(23)22-17/h1-5,8-9H,6-7H2,(H,19,20)(H3,18,21,22,23)
Definition date:	2004-12-07
Last modified:	2011-06-04
Identifier:	6-amino-4-(2-phenylethyl)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one

4NH

4NH
Name:	4-({4-[(4-AMINOBUT-2-YNYL)OXY]PHENYL}SULFONYL)-N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-3-CARBOXAMIDE
Formula:	C17 H23 N3 O5 S2
SMILES:	O=S(=O)(N1C(C(=O)NO)C(SCC1)(C)C)c2ccc(OCC#CCN)cc2
InChi:	InChI=1S/C17H23N3O5S2/c1-17(2)15(16(21)19-22)20(10-12-26-17)27(23,24)14-7-5-13(6-8-14)25-11-4-3-9-18/h5-8,15,22H,9-12,18H2,1-2H3,(H,19,21)/t15-/m0/s1
Definition date:	2005-07-15
Last modified:	2011-06-04
Identifier:	(3S)-4-({4-[(4-aminobut-2-yn-1-yl)oxy]phenyl}sulfonyl)-N-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide

NEZ

NEZ
Name:	6-AMINO-4-[2-(4-METHYLPHENYL)ETHYL]-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE
Formula:	C18 H17 N5 O
SMILES:	O=C1NC(=Nc3c1cc2c(ncn2)c3CCc4ccc(cc4)C)N
InChi:	InChI=1S/C18H17N5O/c1-10-2-4-11(5-3-10)6-7-12-15-13(17(24)23-18(19)22-15)8-14-16(12)21-9-20-14/h2-5,8-9H,6-7H2,1H3,(H,20,21)(H3,19,22,23,24)
Definition date:	2004-12-07
Last modified:	2011-06-04
Identifier:	6-amino-4-[2-(4-methylphenyl)ethyl]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one

EGB

EGB
Name:	(4S)-4-(3-HYDROXYPHENYL)-7,7-DIMETHYL-2-THIOXO-2,3,4,6,7,8-HEXAHYDROQUINAZOLIN-5(1H)-ONE
Formula:	C16 H18 N2 O2 S
SMILES:	O=C3C1=C(NC(=S)NC1c2cccc(O)c2)CC(C3)(C)C
InChi:	InChI=1S/C16H18N2O2S/c1-16(2)7-11-13(12(20)8-16)14(18-15(21)17-11)9-4-3-5-10(19)6-9/h3-6,14,19H,7-8H2,1-2H3,(H2,17,18,21)/t14-/m0/s1
Definition date:	2010-02-26
Last modified:	2011-06-04
Identifier:	(4S)-4-(3-hydroxyphenyl)-7,7-dimethyl-2-thioxo-2,3,4,6,7,8-hexahydroquinazolin-5(1H)-one

4QB

4QB
Name:	3-{2-ETHYL-6-[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-HEXANOYLAMINO}-4-OXO-BUTYRIC ACID
Formula:	C27 H31 N5 O5
SMILES:	O=C(O)CC(C=O)NC(=O)C(CC)CCCCNC(=O)c1ccc(cc1)Nc2nc3ccccc3nc2
InChi:	InChI=1S/C27H31N5O5/c1-2-18(27(37)31-21(17-33)15-25(34)35)7-5-6-14-28-26(36)19-10-12-20(13-11-19)30-24-16-29-22-8-3-4-9-23(22)32-24/h3-4,8-13,16-18,21H,2,5-7,14-15H2,1H3,(H,28,36)(H,30,32)(H,31,37)(H,34,35)/t18-,21+/m1/s1
Definition date:	2004-01-09
Last modified:	2011-06-04
Identifier:	(3S)-3-{[(2R)-2-ethyl-6-({[4-(quinoxalin-2-ylamino)phenyl]carbonyl}amino)hexanoyl]amino}-4-oxobutanoic acid

4SP

4SP
Name:	O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE
Formula:	C18 H22 N6 O3 S
SMILES:	O=S(=O)(N)c1ccc(cc1)Nc3nc2c(ncn2)c(n3)OCC4CCCCC4
InChi:	InChI=1S/C18H22N6O3S/c19-28(25,26)14-8-6-13(7-9-14)22-18-23-16-15(20-11-21-16)17(24-18)27-10-12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2,(H2,19,25,26)(H2,20,21,22,23,24)
Definition date:	2002-07-21
Last modified:	2011-06-04
Identifier:	4-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}benzenesulfonamide

635

635
Name:	1-methylethyl 8-fluoro-1,1-dimethyl-3-{[4-(3-morpholin-4-ylpropoxy)phenyl]carbonyl}-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
Formula:	C32 H38 F N3 O5
SMILES:	CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c3cc(F)ccc23)C(=O)c4ccc(OCCCN5CCOCC5)cc4
InChi:	InChI=1S/C32H38FN3O5/c1-21(2)41-31(38)26-19-36(20-32(3,4)28-25-11-8-23(33)18-27(25)34-29(26)28)30(37)22-6-9-24(10-7-22)40-15-5-12-35-13-16-39-17-14-35/h6-11,18-19,21,34H,5,12-17,20H2,1-4H3
Definition date:	2009-12-17
Last modified:	2011-06-04
Identifier:	propan-2-yl 8-fluoro-1,1-dimethyl-3-[4-(3-morpholin-4-ylpropoxy)phenyl]carbonyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate

EMD

EMD
Name:	5-[1-(3,4-DIMETHOXY-BENZOYL)-1,2,3,4-TETRAHYDRO-QUINOLIN-6-YL]-6-METHYL-3,6-DIHYDRO-[1,3,4]THIADIAZIN-2-ONE
Formula:	C22 H23 N3 O4 S
SMILES:	O=C1SC(C(=NN1)c2cc4c(cc2)N(C(=O)c3ccc(OC)c(OC)c3)CCC4)C
InChi:	InChI=1S/C22H23N3O4S/c1-13-20(23-24-22(27)30-13)15-6-8-17-14(11-15)5-4-10-25(17)21(26)16-7-9-18(28-2)19(12-16)29-3/h6-9,11-13H,4-5,10H2,1-3H3,(H,24,27)/t13-/m1/s1
Definition date:	2001-04-20
Last modified:	2011-06-04
Identifier:	(6R)-5-{1-[(3,4-dimethoxyphenyl)carbonyl]-1,2,3,4-tetrahydroquinolin-6-yl}-6-methyl-3,6-dihydro-2H-1,3,4-thiadiazin-2-one

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