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PD7

PD7
Name:	(2R)-3-(phosphonooxy)propane-1,2-diyl diheptanoate
Formula:	C17 H33 O8 P
SMILES:	O=P(O)(OCC(OC(=O)CCCCCC)COC(=O)CCCCCC)O
InChi:	InChI=1S/C17H33O8P/c1-3-5-7-9-11-16(18)23-13-15(14-24-26(20,21)22)25-17(19)12-10-8-6-4-2/h15H,3-14H2,1-2H3,(H2,20,21,22)/t15-/m1/s1
Definition date:	2007-12-07
Last modified:	2011-06-04
Identifier:	(2R)-3-(phosphonooxy)propane-1,2-diyl diheptanoate

PDR

PDR
Name:	3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methyl-1H-pyrrolo[3,2-b]pyridine
Formula:	C17 H15 Cl N4 O2
SMILES:	Clc3c4cc(c2c1nc(OC)c(OC)cc1n(c2)C)nc4ncc3
InChi:	InChI=1S/C17H15ClN4O2/c1-22-8-10(12-6-9-11(18)4-5-19-16(9)20-12)15-13(22)7-14(23-2)17(21-15)24-3/h4-8H,1-3H3,(H,19,20)
Definition date:	2010-03-02
Last modified:	2011-06-04
Identifier:	3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methyl-1H-pyrrolo[3,2-b]pyridine

PIQ

PIQ
Name:	2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-B]PYRIDINE
Formula:	C13 H12 N4
SMILES:	n1cc(cc2c1nc(n2C)N)c3ccccc3
InChi:	InChI=1S/C13H12N4/c1-17-11-7-10(9-5-3-2-4-6-9)8-15-12(11)16-13(17)14/h2-8H,1H3,(H2,14,15,16)
Definition date:	2001-01-31
Last modified:	2011-06-04
Identifier:	1-methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-2-amine

BO3

BO3
Name:	BORIC ACID
Formula:	B H3 O3
SMILES:	OB(O)O
InChi:	InChI=1S/BH3O3/c2-1(3)4/h2-4H
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	boric acid

BO4

BO4
Name:	BORATE ION
Formula:	B H4 O4
SMILES:	O[B-](O)(O)O
InChi:	InChI=1S/BH4O4/c2-1(3,4)5/h2-5H/q-1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	tetrahydroxyborate(1-)

BO8

BO8
Name:	(D-ALPHA-AMINOPIMELYLAMINO)-D-1-ETHYLBORONIC ACID
Formula:	C9 H20 B N2 O6
SMILES:	O=C(NC(C)[B-](O)(O)O)CCCCC(C(=O)O)N
InChi:	InChI=1S/C9H20BN2O6/c1-6(10(16,17)18)12-8(13)5-3-2-4-7(11)9(14)15/h6-7,16-18H,2-5,11H2,1H3,(H,12,13)(H,14,15)/q-1/t6-,7-/m1/s1
Definition date:	2010-05-04
Last modified:	2011-06-04
Identifier:	[(1S)-1-{[(6R)-6-amino-6-carboxyhexanoyl]amino}ethyl](trihydroxy)borate(1-)

BON

BON
Name:	N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfamide
Formula:	C12 H19 B N2 O4 S
SMILES:	O=S(=O)(N)Nc2ccc(B1OC(C)(C)C(O1)(C)C)cc2
InChi:	InChI=1S/C12H19BN2O4S/c1-11(2)12(3,4)19-13(18-11)9-5-7-10(8-6-9)15-20(14,16)17/h5-8,15H,1-4H3,(H2,14,16,17)
Definition date:	2010-05-03
Last modified:	2011-06-04
Identifier:	N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfuric diamide

BPR

BPR
Name:	(2R)-N-[(2R)-2-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-2-YL]-N-[(5R)-5-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-2-YL]-L-PROLINAMIDE
Formula:	C9 H17 B N2 O3
SMILES:	O=C(N1C(B(O)O)CCC1)C2NCCC2
InChi:	InChI=1S/C9H17BN2O3/c13-9(7-3-1-5-11-7)12-6-2-4-8(12)10(14)15/h7-8,11,14-15H,1-6H2/t7-,8-/m0/s1
Definition date:	2005-08-19
Last modified:	2011-06-04
Identifier:	[(2R)-1-L-prolylpyrrolidin-2-yl]boronic acid

BSF

BSF
Name:	{[(benzylsulfonyl)amino]methyl}boronic acid
Formula:	C8 H12 B N O4 S
SMILES:	O=S(=O)(NCB(O)O)Cc1ccccc1
InChi:	InChI=1S/C8H12BNO4S/c11-9(12)7-10-15(13,14)6-8-4-2-1-3-5-8/h1-5,10-12H,6-7H2
Definition date:	2010-08-03
Last modified:	2011-06-04
Identifier:	{[(benzylsulfonyl)amino]methyl}boronic acid

BSG

BSG
Name:	4-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid
Formula:	C9 H12 B N O6 S
SMILES:	O=S(=O)(NCB(O)O)Cc1ccc(cc1)C(=O)O
InChi:	InChI=1S/C9H12BNO6S/c12-9(13)8-3-1-7(2-4-8)5-18(16,17)11-6-10(14)15/h1-4,11,14-15H,5-6H2,(H,12,13)
Definition date:	2010-08-03
Last modified:	2011-06-04
Identifier:	4-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid

BSH

BSH
Name:	3-[(2R)-2-[(benzylsulfonyl)amino]-2-(dihydroxyboranyl)ethyl]benzoic acid
Formula:	C16 H18 B N O6 S
SMILES:	O=S(=O)(NC(B(O)O)Cc1cccc(C(=O)O)c1)Cc2ccccc2
InChi:	InChI=1S/C16H18BNO6S/c19-16(20)14-8-4-7-13(9-14)10-15(17(21)22)18-25(23,24)11-12-5-2-1-3-6-12/h1-9,15,18,21-22H,10-11H2,(H,19,20)/t15-/m0/s1
Definition date:	2010-08-03
Last modified:	2011-06-04
Identifier:	3-[(2R)-2-[(benzylsulfonyl)amino]-2-(dihydroxyboranyl)ethyl]benzoic acid

BT1

BT1
Name:	{2-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYL]-BENZO[B]THIOPHEN-3-YL}-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYL]-METHANONE
Formula:	C32 H35 N3 O3 S
SMILES:	O=C(c1c4ccccc4sc1c3ccc(OCCN2CCCC2)cc3)c6ccc(OCCN5CCCC5)nc6
InChi:	InChI=1S/C32H35N3O3S/c36-31(25-11-14-29(33-23-25)38-22-20-35-17-5-6-18-35)30-27-7-1-2-8-28(27)39-32(30)24-9-12-26(13-10-24)37-21-19-34-15-3-4-16-34/h1-2,7-14,23H,3-6,15-22H2
Definition date:	1999-10-11
Last modified:	2011-06-04
Identifier:	{2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl}[6-(2-pyrrolidin-1-ylethoxy)pyridin-3-yl]methanone

BT2

BT2
Name:	3-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-BENZYL]-2-4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYL] -BENZO[B]THIOPHENE
Formula:	C33 H38 N2 O2 S
SMILES:	O(c1ccc(cc1)Cc2c5ccccc5sc2c4ccc(OCCN3CCCC3)cc4)CCN6CCCC6
InChi:	InChI=1S/C33H38N2O2S/c1-2-8-32-30(7-1)31(25-26-9-13-28(14-10-26)36-23-21-34-17-3-4-18-34)33(38-32)27-11-15-29(16-12-27)37-24-22-35-19-5-6-20-35/h1-2,7-16H,3-6,17-25H2
Definition date:	1999-10-11
Last modified:	2011-06-04
Identifier:	1-[2-(4-{3-[4-(2-pyrrolidin-1-ylethoxy)benzyl]-1-benzothiophen-2-yl}phenoxy)ethyl]pyrrolidine

BT3

BT3
Name:	3-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-BENZYL]-2-4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYL] -BENZO[B]THIOPHEN-6-OL
Formula:	C32 H37 N3 O3 S
SMILES:	O(c1ccc(cc1)Cc2c5ccc(O)cc5sc2c4ccc(OCCN3CCCC3)nc4)CCN6CCCC6
InChi:	InChI=1S/C32H37N3O3S/c36-26-8-11-28-29(21-24-5-9-27(10-6-24)37-19-17-34-13-1-2-14-34)32(39-30(28)22-26)25-7-12-31(33-23-25)38-20-18-35-15-3-4-16-35/h5-12,22-23,36H,1-4,13-21H2
Definition date:	1999-10-11
Last modified:	2011-06-04
Identifier:	3-[4-(2-pyrrolidin-1-ylethoxy)benzyl]-2-[6-(2-pyrrolidin-1-ylethoxy)pyridin-3-yl]-1-benzothiophene-6-ol

2BZ

2BZ
Name:	5-(2-chlorophenyl)-3-methyl-7-nitropyrazolo[3,4-b][1,4]benzodiazepine
Formula:	C17 H10 Cl N5 O2
SMILES:	Cc1nnc2nc3ccc(cc3c(nc12)c4ccccc4Cl)[N+]([O-])=O
InChi:	InChI=1S/C17H10ClN5O2/c1-9-15-17(22-21-9)19-14-7-6-10(23(24)25)8-12(14)16(20-15)11-4-2-3-5-13(11)18/h2-8H,1H3
Definition date:	2010-01-19
Last modified:	2011-06-04
Identifier:	5-(2-chlorophenyl)-3-methyl-7-nitro-pyrazolo[3,4-b][1,4]benzodiazepine

BZB

BZB
Name:	BENZO[B]THIOPHENE-2-BORONIC ACID
Formula:	C8 H7 B O2 S
SMILES:	OB(O)c2sc1ccccc1c2
InChi:	InChI=1S/C8H7BO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H
Definition date:	1999-08-05
Last modified:	2011-06-04
Identifier:	1-benzothiophen-2-ylboronic acid

BZT

BZT
Name:	3-(3-BROMO-4-PYRROLIDIN-1-YLMETHYL-BENZYL)-2-[4-PYRROLIDIN-1-YL-ETHOXY)-PHENYL]-BENZO[B]THIOPHEN-6-OL
Formula:	C32 H35 Br N2 O2 S
SMILES:	Brc1c(ccc(c1)Cc2c5ccc(O)cc5sc2c4ccc(OCCN3CCCC3)cc4)CN6CCCC6
InChi:	InChI=1S/C32H35BrN2O2S/c33-30-20-23(5-6-25(30)22-35-15-3-4-16-35)19-29-28-12-9-26(36)21-31(28)38-32(29)24-7-10-27(11-8-24)37-18-17-34-13-1-2-14-34/h5-12,20-21,36H,1-4,13-19,22H2
Definition date:	1999-10-04
Last modified:	2011-06-04
Identifier:	3-[3-bromo-4-(pyrrolidin-1-ylmethyl)benzyl]-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophene-6-ol

2DB

2DB
Name:	(S)-(2,3-DIHYDROXYPROPOXY)TRIHYDROXYBORATE
Formula:	C3 H10 B O6
SMILES:	O[B-](O)(O)OCC(O)CO
InChi:	InChI=1S/C3H10BO6/c5-1-3(6)2-10-4(7,8)9/h3,5-9H,1-2H2/q-1/t3-/m0/s1
Definition date:	2006-09-19
Last modified:	2011-06-04
Identifier:	trihydroxy[(2S)-propane-1,2,3-triolato-kappaO~1~]borate(1-)

2FH

2FH
Name:	2-PHENYLHEME
Formula:	C40 H36 Fe N4 O4
SMILES:	O=C(O)CCC=1C=8[N+]4=C(C=1C)C=C5C(=C(C=C)C6=CC9=[N+]3C(=Cc2c(c(c(n2[Fe]34N56)C=8c7ccccc7)CCC(=O)O)C)C(C=C)=C9C)C
InChi:	InChI=1S/C40H38N4O4.Fe/c1-7-26-21(3)30-18-32-23(5)28(14-16-36(45)46)39(43-32)38(25-12-10-9-11-13-25)40-29(15-17-37(47)48)24(6)33(44-40)20-35-27(8-2)22(4)31(42-35)19-34(26)41-30
Definition date:	2004-02-11
Last modified:	2011-06-04
Identifier:	[3,3'-(7,12-diethenyl-3,8,13,17-tetramethyl-20-phenylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoato(2-)]iron(2+)

826

826
Name:	1,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)-9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY-2H-PYRIDO[3,4-B]INDOLE
Formula:	C25 H22 N2 O3
SMILES:	O=C(N3CCc2c1c(cccc1)n(c2C3)Cc4ccc(O)cc4)c5ccc(O)cc5
InChi:	InChI=1S/C25H22N2O3/c28-19-9-5-17(6-10-19)15-27-23-4-2-1-3-21(23)22-13-14-26(16-24(22)27)25(30)18-7-11-20(29)12-8-18/h1-12,28-29H,13-16H2
Definition date:	2001-02-14
Last modified:	2011-06-04
Identifier:	4-{[9-(4-hydroxybenzyl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]carbonyl}phenol

JKZ

JKZ
Name:	4-(trifluoromethyl)-1,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-2-one
Formula:	C9 H8 F3 N O
SMILES:	FC(F)(F)C=1C2=C(NC(=O)C=1)CCC2
InChi:	InChI=1S/C9H8F3NO/c10-9(11,12)6-4-8(14)13-7-3-1-2-5(6)7/h4H,1-3H2,(H,13,14)
Definition date:	2010-06-25
Last modified:	2011-06-04
Identifier:	4-(trifluoromethyl)-1,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-2-one

8DX

8DX
Name:	(2R,3aR,6S,7aR)-2-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]-6-hydroxy-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid
Formula:	C11 H17 N O7
SMILES:	O=C(O)C(N)CC2(OC1C(OCC(O)C1)C2)C(=O)O
InChi:	InChI=1S/C11H17NO7/c12-6(9(14)15)2-11(10(16)17)3-8-7(19-11)1-5(13)4-18-8/h5-8,13H,1-4,12H2,(H,14,15)(H,16,17)/t5-,6-,7+,8+,11+/m0/s1
Definition date:	2009-01-20
Last modified:	2011-06-04
Identifier:	(2R,3aR,6S,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6-hydroxyhexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid (non-preferred name)

8EP

8EP
Name:	(2R,3aR,6R,7S,7aR)-2-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]-6,7-dihydroxy-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid
Formula:	C11 H17 N O8
SMILES:	O=C(O)C(N)CC2(OC1C(OCC(O)C1O)C2)C(=O)O
InChi:	InChI=1S/C11H17NO8/c12-4(9(15)16)1-11(10(17)18)2-6-8(20-11)7(14)5(13)3-19-6/h4-8,13-14H,1-3,12H2,(H,15,16)(H,17,18)/t4-,5+,6+,7-,8-,11+/m0/s1
Definition date:	2009-01-21
Last modified:	2011-06-04
Identifier:	(2R,3aR,6R,7S,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6,7-dihydroxyhexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid (non-preferred name)

Q6W

Q6W
Name:	3-{5-oxo-3-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}-N-(pyridin-2-ylmethyl)propanamide
Formula:	C31 H30 N6 O2
SMILES:	O=C(NCc1ncccc1)CCc5cc6C(=O)c4cc(c2cn(nc2)C3CCNCC3)cnc4C=Cc6cc5
InChi:	InChI=1S/C31H30N6O2/c38-30(35-19-25-3-1-2-12-33-25)9-5-21-4-6-22-7-8-29-28(31(39)27(22)15-21)16-23(17-34-29)24-18-36-37(20-24)26-10-13-32-14-11-26/h1-4,6-8,12,15-18,20,26,32H,5,9-11,13-14,19H2,(H,35,38)
Definition date:	2011-01-04
Last modified:	2011-06-04
Identifier:	3-{5-oxo-3-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}-N-(pyridin-2-ylmethyl)propanamide

Q74

Q74
Name:	2-(3-((4,5,7-trifluorobenzo[d]thiazol-2-yl)methyl)-1H-pyrrolo[2,3-b]pyridin-1-yl)acetic acid
Formula:	C17 H10 F3 N3 O2 S
SMILES:	O=C(O)Cn2c1ncccc1c(c2)Cc3nc4c(F)c(F)cc(F)c4s3
InChi:	InChI=1S/C17H10F3N3O2S/c18-10-5-11(19)16-15(14(10)20)22-12(26-16)4-8-6-23(7-13(24)25)17-9(8)2-1-3-21-17/h1-3,5-6H,4,7H2,(H,24,25)
Definition date:	2009-02-10
Last modified:	2011-06-04
Identifier:	{3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-1-yl}acetic acid

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