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SBE

SBE
Name:	1,3,2-DIOXABOROLAN-2-OL
Formula:	C2 H5 B O3
SMILES:	OB1OCCO1
InChi:	InChI=1S/C2H5BO3/c4-3-5-1-2-6-3/h4H,1-2H2
Definition date:	2004-02-02
Last modified:	2011-06-04
Identifier:	1,3,2-dioxaborolan-2-ol

URX

URX
Name:	[(1R,3R,4R,5R,7S)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-7-hydroxy-5-methyl-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate
Formula:	C12 H17 N2 O8 P
SMILES:	O=P(O)(O)OCC23OC(N1C(=O)NC(=O)C=C1)C(C(C2)C)C3O
InChi:	InChI=1S/C12H17N2O8P/c1-6-4-12(5-21-23(18,19)20)9(16)8(6)10(22-12)14-3-2-7(15)13-11(14)17/h2-3,6,8-10,16H,4-5H2,1H3,(H,13,15,17)(H2,18,19,20)/t6-,8-,9+,10-,12-/m1/s1
Definition date:	2010-10-11
Last modified:	2011-06-04
Identifier:	[(1R,3R,4R,5R,7S)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-7-hydroxy-5-methyl-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate

HME

HME
Name:	PORPHYCENE CONTAINING FE
Formula:	C34 H36 Fe N4 O4
SMILES:	O=C(O)CCC=8C2=C1C(=C(C=3N1[Fe]57[N+]2=C(C=Cc6c(c(c(C4=[N+]5C(=CC=3)C(=C4C)CC)n67)C)CC)C=8C)C)CCC(=O)O
InChi:	InChI=1S/C34H38N4O4.Fe/c1-7-21-19(5)31-32-20(6)22(8-2)28(38-32)14-12-26-18(4)24(10-16-30(41)42)34(36-26)33-23(9-15-29(39)40)17(3)25(35-33)11-13-27(21)37-31
Definition date:	2006-01-10
Last modified:	2011-06-04
Identifier:	{3,3'-[9,14-diethyl-4,10,13,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1~2,5~.1~8,11~.1~12,15~]tetracosa-1,3,5(24),6,8,10,12(22),13,15,17,19-undecaene-3,20-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(2-)}iron(2+)

SBL

SBL
Name:	L-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINE
Formula:	C17 H22 B N2 O6
SMILES:	O=C(O)C(N)CO[B-](O)(O)C(NC(=O)C)Cc2cccc1ccccc12
InChi:	InChI=1S/C17H22BN2O6/c1-11(21)20-16(18(24,25)26-10-15(19)17(22)23)9-13-7-4-6-12-5-2-3-8-14(12)13/h2-8,15-16,24-25H,9-10,19H2,1H3,(H,20,21)(H,22,23)/q-1/t15-,16-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	[(1R)-1-(acetylamino)-2-naphthalen-1-ylethyl](dihydroxy)(L-serinato-kappaO~3~)borate(1-)

SBP

SBP
Name:	[3-(1,3,2-DIOXABOROLAN-2-YLOXY)PROPYL]GUANIDINE
Formula:	C6 H15 B N3 O3
SMILES:	O(B1OCCO1)CCCNC(=[NH2+])N
InChi:	InChI=1S/C6H14BN3O3/c8-6(9)10-2-1-3-11-7-12-4-5-13-7/h1-5H2,(H4,8,9,10)/p+1
Definition date:	2004-01-26
Last modified:	2011-06-04
Identifier:	amino{[3-(1,3,2-dioxaborolan-2-yloxy)propyl]amino}methaniminium

SBZ

SBZ
Name:	[4-(1,3,2-DIOXABOROLAN-2-YLOXY)METHYL]BENZAMIDINE
Formula:	C10 H14 B N2 O3
SMILES:	O(B1OCCO1)Cc2ccc(C(=[NH2+])N)cc2
InChi:	InChI=1S/C10H13BN2O3/c12-10(13)9-3-1-8(2-4-9)7-16-11-14-5-6-15-11/h1-4H,5-7H2,(H3,12,13)/p+1
Definition date:	2004-02-02
Last modified:	2011-06-04
Identifier:	amino{4-[(1,3,2-dioxaborolan-2-yloxy)methyl]phenyl}methaniminium

SC8

SC8
Name:	5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Formula:	C18 H13 Cl2 N5
SMILES:	Clc4cccc(c2nc1ccnn1c(c2)NCc3ccncc3)c4Cl
InChi:	InChI=1S/C18H13Cl2N5/c19-14-3-1-2-13(18(14)20)15-10-17(25-16(24-15)6-9-23-25)22-11-12-4-7-21-8-5-12/h1-10,22H,11H2
Definition date:	2007-09-20
Last modified:	2011-06-04
Identifier:	5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

SCF

SCF
Name:	5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Formula:	C18 H14 F N5
SMILES:	Fc4ccccc4c2nc1ccnn1c(c2)NCc3ccncc3
InChi:	InChI=1S/C18H14FN5/c19-15-4-2-1-3-14(15)16-11-18(24-17(23-16)7-10-22-24)21-12-13-5-8-20-9-6-13/h1-11,21H,12H2
Definition date:	2007-09-20
Last modified:	2011-06-04
Identifier:	5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

SCJ

SCJ
Name:	3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Formula:	C18 H14 Br N5
SMILES:	Brc1cnn2c(cc(nc12)c3ccccc3)NCc4cccnc4
InChi:	InChI=1S/C18H14BrN5/c19-15-12-22-24-17(21-11-13-5-4-8-20-10-13)9-16(23-18(15)24)14-6-2-1-3-7-14/h1-10,12,21H,11H2
Definition date:	2007-09-20
Last modified:	2011-06-04
Identifier:	3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

SCX

SCX
Name:	N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine
Formula:	C19 H17 F2 N7
SMILES:	Fc4cccc(F)c4c1nc3c(cnn3c(c1)NCc2cnc(nc2)N)CC
InChi:	InChI=1S/C19H17F2N7/c1-2-12-10-26-28-16(23-7-11-8-24-19(22)25-9-11)6-15(27-18(12)28)17-13(20)4-3-5-14(17)21/h3-6,8-10,23H,2,7H2,1H3,(H2,22,24,25)
Definition date:	2007-09-20
Last modified:	2011-06-04
Identifier:	N-[(2-aminopyrimidin-5-yl)methyl]-5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine

SCZ

SCZ
Name:	3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Formula:	C21 H19 N5
SMILES:	n1c(cc(n2ncc(c12)C3CC3)NCc4cccnc4)c5ccccc5
InChi:	InChI=1S/C21H19N5/c1-2-6-17(7-3-1)19-11-20(23-13-15-5-4-10-22-12-15)26-21(25-19)18(14-24-26)16-8-9-16/h1-7,10-12,14,16,23H,8-9,13H2
Definition date:	2007-09-20
Last modified:	2011-06-04
Identifier:	3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

BBQ

BBQ
Name:	CYCLOPENTYL N-[(2S)-1-[(2S,4R)-2-[[(4R)-8-HYDROXY-1,6,10-TRIOXA-5$L^{4}-BORASPIRO[4.5]DECAN-4-YL]CARBAMOYL]-4-ISOQUINOLIN-1-YLOXY-PYRROLIDIN-1-YL]-3,3-DIMETHYL-1-OXO-BUTAN-2-YL]CARBAMATE
Formula:	C32 H44 B N4 O9
SMILES:	CC(C)(C)[CH](NC(=O)OC1CCCC1)C(=O)N2C[CH](C[CH]2C(=O)N[CH]3CCO[B]34OC[CH](O)CO4)Oc5nccc6ccccc56
InChi:	InChI=1S/C32H44BN4O9/c1-32(2,3)27(36-31(41)46-22-9-5-6-10-22)30(40)37-17-23(45-29-24-11-7-4-8-20(24)12-14-34-29)16-25(37)28(39)35-26-13-15-42-33(26)43-18-21(38)19-44-33/h4,7-8,11-12,14,21-23,25-27,38H,5-6,9-10,13,15-19H2,1-3H3,(H,35,39)(H,36,41)/t23-,25+,26+,27-/m1/s1
Definition date:	2010-04-22
Last modified:	2011-06-04
Identifier:	cyclopentyl N-[(2S)-1-[(2S,4R)-2-[[(4R)-8-hydroxy-1,6,10-trioxa-5$l^{4}-boraspiro[4.5]decan-4-yl]carbamoyl]-4-isoquinolin-1-yloxy-pyrrolidin-1-yl]-3,3-dimethyl-1-oxo-butan-2-yl]carbamate

BDB

BDB
Name:	4,4'-BIPHENYLDIBORONIC ACID
Formula:	C12 H12 B2 O4
SMILES:	OB(O)c1ccc(cc1)c2ccc(cc2)B(O)O
InChi:	InChI=1S/C12H12B2O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8,15-18H
Definition date:	2001-11-20
Last modified:	2011-06-04
Identifier:	biphenyl-4,4'-diyldiboronic acid

BE8

BE8
Name:	[(1R)-2-cyclobutyl-1-({[(1R,2S,5S)-3-(N-{[(1S)-2,2-dimethyl-1-{[methyl(methylsulfonyl)amino]methyl}propyl]carbamoyl}-3-methyl-L-valyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-2-yl]carbonyl}amino)ethyl]boronic acid
Formula:	C29 H54 B N5 O7 S
SMILES:	O=C(N3C(C(=O)NC(B(O)O)CC1CCC1)C2C(C)(C2C3)C)C(NC(=O)NC(C(C)(C)C)CN(C)S(=O)(=O)C)C(C)(C)C
InChi:	InChI=1S/C29H54BN5O7S/c1-27(2,3)19(16-34(9)43(10,41)42)31-26(38)33-23(28(4,5)6)25(37)35-15-18-21(29(18,7)8)22(35)24(36)32-20(30(39)40)14-17-12-11-13-17/h17-23,39-40H,11-16H2,1-10H3,(H,32,36)(H2,31,33,38)/t18-,19+,20-,21-,22-,23+/m0/s1
Definition date:	2008-11-03
Last modified:	2011-06-04
Identifier:	[(1R)-2-cyclobutyl-1-({[(1R,2S,5S)-3-(N-{[(1S)-2,2-dimethyl-1-{[methyl(methylsulfonyl)amino]methyl}propyl]carbamoyl}-3-methyl-L-valyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-2-yl]carbonyl}amino)ethyl]boronic acid

SM2

SM2
Name:	(1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID
Formula:	C14 H14 B N O5 S
SMILES:	O=C(NC(B(O)O)c1cc(C(=O)O)ccc1)Cc2sccc2
InChi:	InChI=1S/C14H14BNO5S/c17-12(8-11-5-2-6-22-11)16-13(15(20)21)9-3-1-4-10(7-9)14(18)19/h1-7,13,20-21H,8H2,(H,16,17)(H,18,19)/t13-/m0/s1
Definition date:	2002-10-23
Last modified:	2011-06-04
Identifier:	3-{(R)-(dihydroxyboranyl)[(thiophen-2-ylacetyl)amino]methyl}benzoic acid

SM3

SM3
Name:	(1R)-1-(2-THIENYLACETYLAMINO)-1-PHENYLMETHYLBORONIC ACID
Formula:	C13 H14 B N O3 S
SMILES:	O=C(NC(B(O)O)c1ccccc1)Cc2sccc2
InChi:	InChI=1S/C13H14BNO3S/c16-12(9-11-7-4-8-19-11)15-13(14(17)18)10-5-2-1-3-6-10/h1-8,13,17-18H,9H2,(H,15,16)/t13-/m0/s1
Definition date:	2002-10-23
Last modified:	2011-06-04
Identifier:	{(R)-phenyl[(thiophen-2-ylacetyl)amino]methyl}boronic acid

SMS

SMS
Name:	SULFAMIC ACID 2,3-O-(1-METHYLETHYLIDENE)-4,5-O-SULFONYL-BETA-FRUCTOPYRANOSE ESTER
Formula:	C9 H15 N O10 S2
SMILES:	O=S(=O)(OCC12OCC3OS(=O)(=O)OC3C2OC(O1)(C)C)N
InChi:	InChI=1S/C9H15NO10S2/c1-8(2)17-7-6-5(18-22(13,14)19-6)3-15-9(7,20-8)4-16-21(10,11)12/h5-7H,3-4H2,1-2H3,(H2,10,11,12)/t5-,6-,7+,9+/m1/s1
Definition date:	2000-04-12
Last modified:	2011-06-04
Identifier:	[(3aR,5aS,8aS,8bS)-7,7-dimethyl-2,2-dioxidotetrahydro-5aH-[1,3,2]dioxathiolo[4,5-d][1,3]dioxolo[4,5-b]pyran-5a-yl]methyl sulfamate

BJH

BJH
Name:	1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-HYDROXYPHENYL)ETHYL BORONIC ACID
Formula:	C11 H14 B N O6
SMILES:	O=C(O)c1cccc(c1O)CC(B(O)O)NC(=O)C
InChi:	InChI=1S/C11H14BNO6/c1-6(14)13-9(12(18)19)5-7-3-2-4-8(10(7)15)11(16)17/h2-4,9,15,18-19H,5H2,1H3,(H,13,14)(H,16,17)/t9-/m0/s1
Definition date:	2000-04-20
Last modified:	2011-06-04
Identifier:	3-[(2R)-2-(acetylamino)-2-(dihydroxyboranyl)ethyl]-2-hydroxybenzoic acid

BJI

BJI
Name:	1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID
Formula:	C11 H14 B N O5
SMILES:	O=C(O)c1cc(ccc1)CC(NC(=O)C)B(O)O
InChi:	InChI=1S/C11H14BNO5/c1-7(14)13-10(12(17)18)6-8-3-2-4-9(5-8)11(15)16/h2-5,10,17-18H,6H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1
Definition date:	2000-04-17
Last modified:	2011-06-04
Identifier:	3-[(2R)-2-(acetylamino)-2-(dihydroxyboranyl)ethyl]benzoic acid

BJP

BJP
Name:	(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID
Formula:	C17 H18 B N O5
SMILES:	O=C(O)c1cc(ccc1)CC(NC(=O)Cc2ccccc2)B(O)O
InChi:	InChI=1S/C17H18BNO5/c20-16(11-12-5-2-1-3-6-12)19-15(18(23)24)10-13-7-4-8-14(9-13)17(21)22/h1-9,15,23-24H,10-11H2,(H,19,20)(H,21,22)/t15-/m0/s1
Definition date:	2000-04-19
Last modified:	2011-06-04
Identifier:	3-{(2R)-2-(dihydroxyboranyl)-2-[(phenylacetyl)amino]ethyl}benzoic acid

BLA

BLA
Name:	BILIVERDINE IX ALPHA
Formula:	C33 H34 N4 O6
SMILES:	Cc1c([nH]c(C=C2N=C(C=C3NC(=O)C(=C3C=C)C)C(=C2CCC(O)=O)C)c1CCC(O)=O)C=C4NC(=O)C(=C4C)C=C
InChi:	InChI=1S/C33H34N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,34H,1-2,9-12H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,29-15-
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	3-{2-((Z)-{3-(2-carboxyethyl)-4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-2H-pyrrol-2-ylidene}methyl)-4-methyl-5-[(Z)-(3-methyl-5-oxo-4-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid

BLV

BLV
Name:	BILIVERDIN IX GAMMA CHROMOPHORE
Formula:	C33 H34 N4 O6
SMILES:	CC1=C(CCC(O)=O)C(=O)NC1=Cc2[nH]c(C=C3NC(=CC4=NC(=O)C(=C4C)CCC(O)=O)C(=C3C)C=C)c(C=C)c2C
InChi:	InChI=1S/C33H34N4O6/c1-7-20-16(3)24(13-26-18(5)22(32(42)36-26)9-11-30(38)39)34-28(20)14-25-17(4)21(8-2)29(35-25)15-27-19(6)23(33(43)37-27)10-12-31(40)41/h7-8,13-15,34-35H,1-2,9-12H2,3-6H3,(H,36,42)(H,38,39)(H,40,41)/b25-14-,26-13-,29-15-
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	3-(4-methyl-5-methylene-2-oxo-2,5-dihydro-1H-pyrrol-3-yl)propanoic acid

BLY

BLY
Name:	LYSINE BORONIC ACID
Formula:	C5 H16 B N2 O2
SMILES:	OB(O)C(N)CCCC[NH3+]
InChi:	InChI=1S/C5H15BN2O2/c7-4-2-1-3-5(8)6(9)10/h5,9-10H,1-4,7-8H2/p+1/t5-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(5R)-5-amino-5-(dihydroxyboranyl)pentan-1-aminium

SRB

SRB
Name:	L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID
Formula:	C14 H17 B N O4
SMILES:	O=C(NC([B-](O)(O)O)Cc2cccc1ccccc12)C
InChi:	InChI=1S/C14H17BNO4/c1-10(17)16-14(15(18,19)20)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,14,18-20H,9H2,1H3,(H,16,17)/q-1/t14-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	[(1R)-1-(acetylamino)-2-naphthalen-1-ylethyl](trihydroxy)borate(1-)

SRD

SRD
Name:	D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID
Formula:	C14 H17 B N O4
SMILES:	O=C(NC([B-](O)(O)O)Cc2cccc1ccccc12)C
InChi:	InChI=1S/C14H17BNO4/c1-10(17)16-14(15(18,19)20)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,14,18-20H,9H2,1H3,(H,16,17)/q-1/t14-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	[(1S)-1-(acetylamino)-2-naphthalen-1-ylethyl](trihydroxy)borate(1-)

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