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4NL

4NL
Name:	4-AMINOPHENOL
Formula:	C6 H7 N O
SMILES:	Oc1ccc(N)cc1
InChi:	InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2
Definition date:	2007-02-05
Last modified:	2011-06-04
Identifier:	4-aminophenol

4NM

4NM
Name:	4-NITROPHENYL METHANETHIOL
Formula:	C7 H8 N O2 S
SMILES:	O=[N+](O)c1ccc(cc1)CS
InChi:	InChI=1S/C7H7NO2S/c9-8(10)7-3-1-6(5-11)2-4-7/h1-4H,5H2,(H-,9,10,11)/p+1
Definition date:	2008-02-08
Last modified:	2011-06-04
Identifier:	hydroxy(oxo)[4-(sulfanylmethyl)phenyl]ammonium

4NP

4NP
Name:	4-NITROPHENYL PHOSPHATE
Formula:	C6 H6 N O6 P
SMILES:	O=P(Oc1ccc(cc1)[N+]([O-])=O)(O)O
InChi:	InChI=1S/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H2,10,11,12)
Definition date:	1999-09-21
Last modified:	2011-06-04
Identifier:	4-nitrophenyl dihydrogen phosphate

4NZ

4NZ
Name:	4-nitrobenzenesulfonamide
Formula:	C6 H6 N2 O4 S
SMILES:	O=S(=O)(N)c1ccc([N+]([O-])=O)cc1
InChi:	InChI=1S/C6H6N2O4S/c7-13(11,12)6-3-1-5(2-4-6)8(9)10/h1-4H,(H2,7,11,12)
Definition date:	2010-04-01
Last modified:	2011-06-04
Identifier:	4-nitrobenzenesulfonamide

4OC

4OC
Name:	4N,O2'-METHYLCYTIDINE-5'-MONOPHOSPHATE
Formula:	C11 H18 N3 O8 P
SMILES:	O=C1N=C(NC)C=CN1C2OC(C(O)C2OC)COP(=O)(O)O
InChi:	InChI=1S/C11H18N3O8P/c1-12-7-3-4-14(11(16)13-7)10-9(20-2)8(15)6(22-10)5-21-23(17,18)19/h3-4,6,8-10,15H,5H2,1-2H3,(H,12,13,16)(H2,17,18,19)/t6-,8-,9-,10-/m1/s1
Definition date:	2006-08-24
Last modified:	2011-06-04
Identifier:	N-methyl-2'-O-methylcytidine 5'-(dihydrogen phosphate)

4P5

4P5
Name:	4H-furo[3,2-b]pyrrole-5-carboxylic acid
Formula:	C7 H5 N O3
SMILES:	O=C(O)c2cc1occc1n2
InChi:	InChI=1S/C7H5NO3/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)
Definition date:	2008-04-29
Last modified:	2011-06-04
Identifier:	4H-furo[3,2-b]pyrrole-5-carboxylic acid

4PC

4PC
Name:	3-(2'-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-6-METHYL-3,7-DIHYDRO-2H-PYRROLO[2,3-D]PYRIMIDIN-2-ONE
Formula:	C12 H16 N3 O7 P
SMILES:	O=C1N=C3C(=CN1C2OC(C(O)C2)COP(=O)(O)O)C=C(N3)C
InChi:	InChI=1S/C12H16N3O7P/c1-6-2-7-4-15(12(17)14-11(7)13-6)10-3-8(16)9(22-10)5-21-23(18,19)20/h2,4,8-10,16H,3,5H2,1H3,(H,13,14,17)(H2,18,19,20)/t8-,9+,10+/m0/s1
Definition date:	2006-04-18
Last modified:	2011-06-04
Identifier:	3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-methyl-3,7-dihydro-2H-pyrrolo[2,3-d]pyrimidin-2-one

4PD

4PD
Name:	3-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-6-METHYL-1,3-DIHYDRO-2H-PYRROLO[2,3-D]PYRIMIDIN-2-ONE
Formula:	C12 H16 N3 O7 P
SMILES:	O=C2NC1=NC(=CC1=CN2C3OC(C(O)C3)COP(=O)(O)O)C
InChi:	InChI=1S/C12H16N3O7P/c1-6-2-7-4-15(12(17)14-11(7)13-6)10-3-8(16)9(22-10)5-21-23(18,19)20/h2,4,8-10,16H,3,5H2,1H3,(H,13,14,17)(H2,18,19,20)/t8-,9+,10+/m0/s1
Definition date:	2006-04-18
Last modified:	2011-06-04
Identifier:	3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-methyl-1,3-dihydro-2H-pyrrolo[2,3-d]pyrimidin-2-one

4PE

4PE
Name:	3-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-6-METHYL-3H-PYRROLO[2,3-D]PYRIMIDIN-2-OL
Formula:	C12 H16 N3 O7 P
SMILES:	O=P(O)(O)OCC3OC(N2C(=NC1=NC(=CC1=C2)C)O)CC3O
InChi:	InChI=1S/C12H16N3O7P/c1-6-2-7-4-15(12(17)14-11(7)13-6)10-3-8(16)9(22-10)5-21-23(18,19)20/h2,4,8-10,16H,3,5H2,1H3,(H,13,14,17)(H2,18,19,20)/t8-,9+,10+/m0/s1
Definition date:	2006-04-18
Last modified:	2011-06-04
Identifier:	3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-methyl-3H-pyrrolo[2,3-d]pyrimidin-2-ol

4PG

4PG
Name:	1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine
Formula:	C15 H15 N3 O
SMILES:	O=C(c1ccccc1)Cc2ccc(NC(=[N@H])N)cc2
InChi:	InChI=1S/C15H15N3O/c16-15(17)18-13-8-6-11(7-9-13)10-14(19)12-4-2-1-3-5-12/h1-9H,10H2,(H4,16,17,18)
Definition date:	2007-08-29
Last modified:	2011-06-04
Identifier:	1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine

4PN

4PN
Name:	4-PIPERIDINO-PIPERIDINE
Formula:	C10 H20 N2
SMILES:	N2CCC(N1CCCCC1)CC2
InChi:	InChI=1S/C10H20N2/c1-2-8-12(9-3-1)10-4-6-11-7-5-10/h10-11H,1-9H2
Definition date:	2001-10-23
Last modified:	2011-06-04
Identifier:	1,4'-bipiperidine

4PP

4PP
Name:	(2S)-(3'-AMIDINO-3-BIPHENYL)-5-(4-PYRIDYLAMINO)PENTANOIC ACID
Formula:	C23 H24 N4 O2
SMILES:	O=C(O)C(c2cccc(c1cc(C(=[N@H])N)ccc1)c2)CCCNc3ccncc3
InChi:	InChI=1S/C23H24N4O2/c24-22(25)19-7-2-5-17(15-19)16-4-1-6-18(14-16)21(23(28)29)8-3-11-27-20-9-12-26-13-10-20/h1-2,4-7,9-10,12-15,21H,3,8,11H2,(H3,24,25)(H,26,27)(H,28,29)/t21-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(2S)-2-(3'-carbamimidoylbiphenyl-3-yl)-5-(pyridin-4-ylamino)pentanoic acid

4PY

4PY
Name:	(2S)-1-(6H-INDOL-3-YL)-3-{[5-(7H-PYRAZOLO[3,4-C]PYRIDIN-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE
Formula:	C22 H20 N6 O
SMILES:	N2=C(C=C1C=NN=C1C2)c5cc(OCC(N)CC3=C4C=CCC=C4N=C3)cnc5
InChi:	InChI=1S/C22H20N6O/c23-17(5-14-9-25-20-4-2-1-3-19(14)20)13-29-18-6-15(8-24-11-18)21-7-16-10-27-28-22(16)12-26-21/h1,3-4,6-11,17H,2,5,12-13,23H2/t17-/m0/s1
Definition date:	2007-02-02
Last modified:	2011-06-04
Identifier:	(2S)-1-(6H-indol-3-yl)-3-{[5-(7H-pyrazolo[3,4-c]pyridin-5-yl)pyridin-3-yl]oxy}propan-2-amine

4SU

4SU
Name:	4-THIOURIDINE-5'-MONOPHOSPHATE
Formula:	C9 H13 N2 O8 P S
SMILES:	S=C1NC(=O)N(C=C1)C2OC(C(O)C2O)COP(=O)(O)O
InChi:	InChI=1S/C9H13N2O8PS/c12-6-4(3-18-20(15,16)17)19-8(7(6)13)11-2-1-5(21)10-9(11)14/h1-2,4,6-8,12-13H,3H2,(H,10,14,21)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	1-(5-O-phosphono-beta-D-ribofuranosyl)-4-thioxo-3,4-dihydropyrimidin-2(1H)-one

4TC

4TC
Name:	P1-(5'-ADENOSINE)P4-(5'-URIDINE)-BETA,GAMMA-METHYLENE TETRAPHOSPHATE
Formula:	C20 H29 N7 O20 P4
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)C[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)N5C=CC(=O)NC5=O)[CH](O)[CH]3O
InChi:	InChI=1S/C20H29N7O20P4/c21-16-11-17(23-5-22-16)27(6-24-11)19-15(32)13(30)9(45-19)4-43-51(40,41)47-49(36,37)7-48(34,35)46-50(38,39)42-3-8-12(29)14(31)18(44-8)26-2-1-10(28)25-20(26)33/h1-2,5-6,8-9,12-15,18-19,29-32H,3-4,7H2,(H,34,35)(H,36,37)(H,38,39)(H,40,41)(H2,21,22,23)(H,25,28,33)/t8-,9-,12-,13-,14-,15-,18-,19-/m1/s1
Definition date:	2006-09-01
Last modified:	2011-06-04
Identifier:	[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]methyl-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-phosphinic acid

4UB

4UB
Name:	3-PHENYL-6-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE
Formula:	C15 H11 N5
SMILES:	n3cc2ncc(c1ccccc1)n2cc3c4cnnc4
InChi:	InChI=1S/C15H11N5/c1-2-4-11(5-3-1)14-8-17-15-9-16-13(10-20(14)15)12-6-18-19-7-12/h1-10H,(H,18,19)
Definition date:	2010-05-19
Last modified:	2011-06-04
Identifier:	3-phenyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazine

4UN

4UN
Name:	{4-[2,2-BIS(5-METHYL-1,2,4-OXADIAZOL-3-YL)-3-PHENYLPROPYL]PHENYL}SULFAMIC ACID
Formula:	C21 H21 N5 O5 S
SMILES:	O=S(=O)(O)Nc1ccc(cc1)CC(c2nc(on2)C)(c3nc(on3)C)Cc4ccccc4
InChi:	InChI=1S/C21H21N5O5S/c1-14-22-19(24-30-14)21(20-23-15(2)31-25-20,12-16-6-4-3-5-7-16)13-17-8-10-18(11-9-17)26-32(27,28)29/h3-11,26H,12-13H2,1-2H3,(H,27,28,29)
Definition date:	2006-05-16
Last modified:	2011-06-04
Identifier:	{4-[2,2-bis(5-methyl-1,2,4-oxadiazol-3-yl)-3-phenylpropyl]phenyl}sulfamic acid

501

501
Name:	N7-BUTYL-N2-(5-CHLORO-2-METHYLPHENYL)-5-METHYL[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-2,7-DIAMINE
Formula:	C17 H21 Cl N6
SMILES:	Clc1cc(c(cc1)C)Nc2nc3nc(cc(n3n2)NCCCC)C
InChi:	InChI=1S/C17H21ClN6/c1-4-5-8-19-15-9-12(3)20-17-22-16(23-24(15)17)21-14-10-13(18)7-6-11(14)2/h6-7,9-10,19H,4-5,8H2,1-3H3,(H,21,23)
Definition date:	2005-05-03
Last modified:	2011-06-04
Identifier:	N~7~-butyl-N~2~-(5-chloro-2-methylphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine

509

509
Name:	4-BROMO-3-(CARBOXYMETHOXY)-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID
Formula:	C13 H9 Br O5 S
SMILES:	O=C(O)c2sc(c1ccccc1)c(Br)c2OCC(=O)O
InChi:	InChI=1S/C13H9BrO5S/c14-9-10(19-6-8(15)16)12(13(17)18)20-11(9)7-4-2-1-3-5-7/h1-5H,6H2,(H,15,16)(H,17,18)
Definition date:	2006-05-30
Last modified:	2011-06-04
Identifier:	4-bromo-3-(carboxymethoxy)-5-phenylthiophene-2-carboxylic acid

50X

50X
Name:	(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(5-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}thiophen-2-yl)methyl]butanamide
Formula:	C28 H26 Cl F3 N4 O4 S
SMILES:	O[CH]([CH](O)C(=O)N1CCC[CH]1c2cccc(Cl)c2)C(=O)NCc3sc(Cn4c5ccccc5nc4C(F)(F)F)cc3
InChi:	InChI=1S/C28H26ClF3N4O4S/c29-17-6-3-5-16(13-17)21-9-4-12-35(21)26(40)24(38)23(37)25(39)33-14-18-10-11-19(41-18)15-36-22-8-2-1-7-20(22)34-27(36)28(30,31)32/h1-3,5-8,10-11,13,21,23-24,37-38H,4,9,12,14-15H2,(H,33,39)/t21-,23-,24-/m1/s1
Definition date:	2010-01-22
Last modified:	2011-06-04
Identifier:	(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]thiophen-2-yl]methyl]butanamide

512

512
Name:	4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID
Formula:	C7 H5 Br O5 S
SMILES:	Brc1c(OCC(=O)O)c(sc1)C(=O)O
InChi:	InChI=1S/C7H5BrO5S/c8-3-2-14-6(7(11)12)5(3)13-1-4(9)10/h2H,1H2,(H,9,10)(H,11,12)
Definition date:	2006-06-14
Last modified:	2011-06-04
Identifier:	4-bromo-3-(carboxymethoxy)thiophene-2-carboxylic acid

516

516
Name:	N-{(1S)-1-cyclohexyl-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl}-N~2~-methyl-L-alaninamide
Formula:	C29 H36 N4 O2 S
SMILES:	O=C(NC(C(=O)N1CCCC1c2nc(cs2)c4c3ccccc3ccc4)C5CCCCC5)C(NC)C
InChi:	InChI=1S/C29H36N4O2S/c1-19(30-2)27(34)32-26(21-11-4-3-5-12-21)29(35)33-17-9-16-25(33)28-31-24(18-36-28)23-15-8-13-20-10-6-7-14-22(20)23/h6-8,10,13-15,18-19,21,25-26,30H,3-5,9,11-12,16-17H2,1-2H3,(H,32,34)/t19-,25-,26-/m0/s1
Definition date:	2009-04-15
Last modified:	2011-06-04
Identifier:	N-{(1S)-1-cyclohexyl-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl}-N~2~-methyl-L-alaninamide

51U

51U
Name:	D-phenylalanyl-N-(3-methylbenzyl)-L-prolinamide
Formula:	C22 H27 N3 O2
SMILES:	O=C(NCc1cccc(c1)C)C3N(C(=O)C(N)Cc2ccccc2)CCC3
InChi:	InChI=1S/C22H27N3O2/c1-16-7-5-10-18(13-16)15-24-21(26)20-11-6-12-25(20)22(27)19(23)14-17-8-3-2-4-9-17/h2-5,7-10,13,19-20H,6,11-12,14-15,23H2,1H3,(H,24,26)/t19-,20+/m1/s1
Definition date:	2007-12-18
Last modified:	2011-06-04
Identifier:	D-phenylalanyl-N-(3-methylbenzyl)-L-prolinamide

521

521
Name:	5-(4-CHLORO-5-PHENYL-3-THIENYL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE
Formula:	C12 H9 Cl N2 O3 S2
SMILES:	O=C3NS(=O)(=O)N(c1c(Cl)c(sc1)c2ccccc2)C3
InChi:	InChI=1S/C12H9ClN2O3S2/c13-11-9(15-6-10(16)14-20(15,17)18)7-19-12(11)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,14,16)
Definition date:	2006-11-09
Last modified:	2011-06-04
Identifier:	5-(4-chloro-5-phenylthiophen-3-yl)-1,2,5-thiadiazolidin-3-one 1,1-dioxide

527

527
Name:	5-(3-{[1-(BENZYLSULFONYL)PIPERIDIN-4-YL]AMINO}PHENYL)-4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID
Formula:	C25 H25 Br N2 O7 S2
SMILES:	O=S(=O)(N3CCC(Nc1cccc(c1)c2sc(c(OCC(=O)O)c2Br)C(=O)O)CC3)Cc4ccccc4
InChi:	InChI=1S/C25H25BrN2O7S2/c26-21-22(35-14-20(29)30)24(25(31)32)36-23(21)17-7-4-8-19(13-17)27-18-9-11-28(12-10-18)37(33,34)15-16-5-2-1-3-6-16/h1-8,13,18,27H,9-12,14-15H2,(H,29,30)(H,31,32)
Definition date:	2006-06-20
Last modified:	2011-06-04
Identifier:	5-(3-{[1-(benzylsulfonyl)piperidin-4-yl]amino}phenyl)-4-bromo-3-(carboxymethoxy)thiophene-2-carboxylic acid

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