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NL9

NL9
Name:	[1-(3-chlorophenyl)-1H-pyrazol-4-yl]boronic acid
Formula:	C9 H8 B Cl N2 O2
SMILES:	Clc1cccc(c1)n2ncc(c2)B(O)O
InChi:	InChI=1S/C9H8BClN2O2/c11-8-2-1-3-9(4-8)13-6-7(5-12-13)10(14)15/h1-6,14-15H
Definition date:	2013-08-06
Last modified:	2024-09-27
Release date:	2014-07-30
Identifier:	[1-(3-chlorophenyl)-1H-pyrazol-4-yl]boronic acid

YWX

YWX
Name:	2-{3-[(Z)-iminomethyl]-1H-1,2,4-triazol-1-yl}-1-{(3M)-3-[2-(trifluoromethyl)phenyl]-6H-pyrrolo[3,4-b]pyridin-6-yl}ethan-1-one
Formula:	C19 H13 F3 N6 O
SMILES:	O=C(Cn1cnc(C=N)n1)n1cc2cc(cnc2c1)c1ccccc1C(F)(F)F
InChi:	InChI=1S/C19H13F3N6O/c20-19(21,22)15-4-2-1-3-14(15)12-5-13-8-27(9-16(13)24-7-12)18(29)10-28-11-25-17(6-23)26-28/h1-9,11,23H,10H2/b23-6-
Synonyms:	inhibitor CT1, bound form
Definition date:	2023-03-02
Last modified:	2024-09-27
Release date:	2023-07-12
Identifier:	2-{3-[(Z)-iminomethyl]-1H-1,2,4-triazol-1-yl}-1-{(3M)-3-[2-(trifluoromethyl)phenyl]-6H-pyrrolo[3,4-b]pyridin-6-yl}ethan-1-one

ZKR

ZKR
Name:	[5-(trifluoromethyl)thiophen-2-yl]boronic acid
Formula:	C5 H4 B F3 O2 S
SMILES:	FC(F)(F)c1ccc(s1)B(O)O
InChi:	InChI=1S/C5H4BF3O2S/c7-5(8,9)3-1-2-4(12-3)6(10)11/h1-2,10-11H
Definition date:	2023-06-28
Last modified:	2024-09-27
Release date:	2024-07-17
Identifier:	[5-(trifluoromethyl)thiophen-2-yl]boronic acid

YX7

YX7
Name:	[(1S)-3-amino-1-(hexanoylamino)-3-oxopropyl]boronic acid
Formula:	C9 H19 B N2 O4
SMILES:	O=C(NC(CC(N)=O)B(O)O)CCCCC
InChi:	InChI=1S/C9H19BN2O4/c1-2-3-4-5-9(14)12-7(10(15)16)6-8(11)13/h7,15-16H,2-6H2,1H3,(H2,11,13)(H,12,14)/t7-/m1/s1
Definition date:	2021-04-05
Last modified:	2024-09-27
Release date:	2022-09-28
Identifier:	[(1S)-3-amino-1-(hexanoylamino)-3-oxopropyl]boronic acid

ZMD

ZMD
Name:	(3S)-2,1-benzoxaborole-1,3(3H)-diol
Formula:	C7 H7 B O3
SMILES:	OB1OC(O)c2ccccc12
InChi:	InChI=1S/C7H7BO3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4,7,9-10H/t7-/m0/s1
Definition date:	2021-05-07
Last modified:	2024-09-27
Release date:	2021-08-11
Identifier:	(3S)-2,1-benzoxaborole-1,3(3H)-diol

Z06

Z06
Name:	(3-acetamido-5-carboxy-phenyl)-trihydroxy-boron
Formula:	C9 H11 B N O6
SMILES:	CC(=O)Nc1cc(cc(c1)[B-](O)(O)O)C(O)=O
InChi:	InChI=1S/C9H11BNO6/c1-5(12)11-8-3-6(9(13)14)2-7(4-8)10(15,16)17/h2-4,15-17H,1H3,(H,11,12)(H,13,14)/q-1
Definition date:	2010-12-15
Last modified:	2024-09-27
Identifier:	(3-acetamido-5-carboxy-phenyl)-trihydroxy-boron

Z10

Z10
Name:	[(1S)-1-[(2-fluoro-6-phenyl-phenyl)carbonylamino]ethyl]-trihydroxy-boron
Formula:	C15 H16 B F N O4
SMILES:	C[CH](NC(=O)c1c(F)cccc1c2ccccc2)[B-](O)(O)O
InChi:	InChI=1S/C15H16BFNO4/c1-10(16(20,21)22)18-15(19)14-12(8-5-9-13(14)17)11-6-3-2-4-7-11/h2-10,20-22H,1H3,(H,18,19)/q-1/t10-/m1/s1
Definition date:	2010-12-15
Last modified:	2024-09-27
Identifier:	[(1S)-1-[(2-fluoro-6-phenyl-phenyl)carbonylamino]ethyl]-trihydroxy-boron

YLE

YLE
Name:	8-(furan-3-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
Formula:	C15 H12 N2 O2
SMILES:	O=C1NCCc2c1[nH]c3c2cccc3c4cocc4
InChi:	InChI=1S/C15H12N2O2/c18-15-14-12(4-6-16-15)11-3-1-2-10(13(11)17-14)9-5-7-19-8-9/h1-3,5,7-8,17H,4,6H2,(H,16,18)
Definition date:	2023-12-05
Last modified:	2024-09-27
Release date:	2024-10-02
Identifier:	8-(furan-3-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one

ZNH

ZNH
Name:	PROTOPORPHYRIN IX CONTAINING ZN
Formula:	C34 H32 N4 O4 Zn
SMILES:	CC1=C(CCC(O)=O)C2=NC1=Cc3n4[Zn][N]5C(=CC6=NC(=Cc4c(C)c3C=C)C(=C6C)C=C)C(=C(CCC(O)=O)C5=C2)C
InChi:	InChI=1S/C34H34N4O4.Zn/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25
Definition date:	2001-03-01
Last modified:	2024-09-27

YLN

YLN
Name:	bis[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-bis(oxidanyl)boranuide
Formula:	C10 H10 B F6 N4 O2
SMILES:	Cn1nc(cc1[B-](O)(O)c2cc(nn2C)C(F)(F)F)C(F)(F)F
InChi:	InChI=1S/C10H10BF6N4O2/c1-20-7(3-5(18-20)9(12,13)14)11(22,23)8-4-6(10(15,16)17)19-21(8)2/h3-4,22-23H,1-2H3/q-1
Definition date:	2023-06-19
Last modified:	2024-09-27
Release date:	2024-01-24
Identifier:	bis[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-bis(oxidanyl)boranuide

NPB

NPB
Name:	3-NITROPHENYLBORONIC ACID
Formula:	C6 H6 B N O4
SMILES:	[O-][N+](=O)c1cc(B(O)O)ccc1
InChi:	InChI=1S/C6H6BNO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,9-10H
Definition date:	2001-11-19
Last modified:	2024-09-27
Identifier:	(3-nitrophenyl)boronic acid

FMF

FMF
Name:	2-deoxy-2-fluoro-beta-D-mannopyranosyl fluoride
Formula:	C6 H10 F2 O4
SMILES:	FC1C(O)C(O)C(OC1F)CO
InChi:	InChI=1S/C6H10F2O4/c7-3-5(11)4(10)2(1-9)12-6(3)8/h2-6,9-11H,1H2/t2-,3+,4-,5-,6?/m1/s1
Synonyms:	2-DEOXY-2-FLUOROHEXOPYRANOSYL FLUORIDE
Definition date:	2003-09-08
Last modified:	2024-09-27
Identifier:	2-deoxy-2-fluoro-beta-D-mannopyranosyl fluoride

YCH

YCH
Name:	[(4~{S})-2-oxidanyl-1,3,2-dioxaborolan-4-yl]methanol
Formula:	C3 H7 B O4
SMILES:	OC[CH]1COB(O)O1
InChi:	InChI=1S/C3H7BO4/c5-1-3-2-7-4(6)8-3/h3,5-6H,1-2H2/t3-/m0/s1
Definition date:	2023-06-13
Last modified:	2024-09-27
Release date:	2024-01-17
Identifier:	[(4~{S})-2-oxidanyl-1,3,2-dioxaborolan-4-yl]methanol

ZS9

ZS9
Name:	dehydrocostus lactone, bound form
Formula:	C15 H20 O2
SMILES:	C=C1CCC2C(C)C(=O)OC2C2C1CCC2=C
InChi:	InChI=1S/C15H20O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h10-14H,1-2,4-7H2,3H3/t10-,11-,12+,13-,14+/m0/s1
Definition date:	2023-07-03
Last modified:	2024-09-27
Release date:	2024-07-03
Identifier:	(3S,3aR,6aR,9aR,9bR)-3-methyl-6,9-dimethylidenedecahydroazuleno[4,5-b]furan-2(3H)-one

ZA2

ZA2
Name:	[(2-CHLOROPHENYL)CARBONYLAMINO]METHYL-TRIHYDROXY-BORON
Formula:	C8 H10 B Cl N O4
SMILES:	O[B-](O)(O)CNC(=O)c1ccccc1Cl
InChi:	InChI=1S/C8H10BClNO4/c10-7-4-2-1-3-6(7)8(12)11-5-9(13,14)15/h1-4,13-15H,5H2,(H,11,12)/q-1
Synonyms:	2-CHLOROBENZAMIDOMETHYLBORONIC ACID
Definition date:	2010-12-15
Last modified:	2024-09-27
Identifier:	[(2-chlorophenyl)carbonylamino]methyl-trihydroxy-boron

ZA3

ZA3
Name:	TRIHYDROXY-[[(2-NITROPHENYL)CARBONYLAMINO]METHYL]BORON
Formula:	C8 H10 B N2 O6
SMILES:	O[B-](O)(O)CNC(=O)c1ccccc1[N+]([O-])=O
InChi:	InChI=1S/C8H10BN2O6/c12-8(10-5-9(13,14)15)6-3-1-2-4-7(6)11(16)17/h1-4,13-15H,5H2,(H,10,12)/q-1
Definition date:	2010-12-15
Last modified:	2024-09-27
Identifier:	trihydroxy-[[(2-nitrophenyl)carbonylamino]methyl]boron

ZA4

ZA4
Name:	[(2-FLUOROPHENYL)CARBONYLAMINO]METHYL-TRIHYDROXY-BORON
Formula:	C8 H10 B F N O4
SMILES:	O[B-](O)(O)CNC(=O)c1ccccc1F
InChi:	InChI=1S/C8H10BFNO4/c10-7-4-2-1-3-6(7)8(12)11-5-9(13,14)15/h1-4,13-15H,5H2,(H,11,12)/q-1
Definition date:	2010-12-15
Last modified:	2024-09-27
Identifier:	[(2-fluorophenyl)carbonylamino]methyl-trihydroxy-boron

ZA5

ZA5
Name:	[(2,6-DIFLUOROPHENYL)CARBONYLAMINO]METHYL-TRIHYDROXY-BORON
Formula:	C8 H9 B F2 N O4
SMILES:	O[B-](O)(O)CNC(=O)c1c(F)cccc1F
InChi:	InChI=1S/C8H9BF2NO4/c10-5-2-1-3-6(11)7(5)8(13)12-4-9(14,15)16/h1-3,14-16H,4H2,(H,12,13)/q-1
Definition date:	2010-12-15
Last modified:	2024-09-27
Identifier:	[(2,6-difluorophenyl)carbonylamino]methyl-trihydroxy-boron

FP5

FP5
Name:	PHENYLACETAMIDOMETHYL BORONIC ACID
Formula:	C9 H12 B N O3
SMILES:	OB(O)CNC(=O)Cc1ccccc1
InChi:	InChI=1S/C9H12BNO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5,13-14H,6-7H2,(H,11,12)
Definition date:	2011-01-12
Last modified:	2024-09-27
Identifier:	(2-phenylethanoylamino)methylboronic acid

YDB

YDB
Name:	1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid
Formula:	C9 H12 B N7 O5 S2
SMILES:	O=C(CSc1nnc(N)s1)NC(Cn1cc(nn1)C(=O)O)B(O)O
InChi:	InChI=1S/C9H12BN7O5S2/c11-8-14-15-9(24-8)23-3-6(18)12-5(10(21)22)2-17-1-4(7(19)20)13-16-17/h1,5,21-22H,2-3H2,(H2,11,14)(H,12,18)(H,19,20)/t5-/m0/s1
Definition date:	2023-01-25
Last modified:	2024-09-27
Release date:	2023-07-05
Identifier:	1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid

YFJ

YFJ
Name:	8-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
Formula:	C16 H13 N3 O
SMILES:	O=C1NCCc2c1[nH]c3c2cccc3c4ccncc4
InChi:	InChI=1S/C16H13N3O/c20-16-15-13(6-9-18-16)12-3-1-2-11(14(12)19-15)10-4-7-17-8-5-10/h1-5,7-8,19H,6,9H2,(H,18,20)
Definition date:	2023-12-04
Last modified:	2024-09-27
Release date:	2024-10-02
Identifier:	8-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one

FSI

FSI
Name:	5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid
Formula:	C11 H18 F N O9
SMILES:	O=C(O)C1(O)OC(C(NC(=O)C)C(O)C1F)C(O)C(O)CO
InChi:	InChI=1S/C11H18FNO9/c1-3(15)13-5-7(18)9(12)11(21,10(19)20)22-8(5)6(17)4(16)2-14/h4-9,14,16-18,21H,2H2,1H3,(H,13,15)(H,19,20)/t4-,5-,6-,7-,8-,9-,11+/m1/s1
Synonyms:	5-(acetylamino)-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid
Definition date:	2004-01-19
Last modified:	2024-09-27
Identifier:	5-(acetylamino)-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid

ZXM

ZXM
Name:	1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid
Formula:	C11 H13 B N4 O5 S
SMILES:	O=C(NC(B(O)O)Cn1nnc(C(=O)O)c1)Cc2sccc2
InChi:	InChI=1S/C11H13BN4O5S/c17-10(4-7-2-1-3-22-7)13-9(12(20)21)6-16-5-8(11(18)19)14-15-16/h1-3,5,9,20-21H,4,6H2,(H,13,17)(H,18,19)/t9-/m0/s1
Definition date:	2014-07-15
Last modified:	2024-09-27
Release date:	2014-11-19
Identifier:	1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid

ZXQ

ZXQ
Name:	{(3R,7S)-2-hydroxy-3-[2-(thiophen-2-yl)acetamido]-2,3,4,7-tetrahydro-1,2-oxaborepin-7-yl}acetic acid
Formula:	C13 H16 B N O5 S
SMILES:	O=C(NC1CC=CC(CC(=O)O)OB1O)Cc1cccs1
InChi:	InChI=1S/C13H16BNO5S/c16-12(8-10-4-2-6-21-10)15-11-5-1-3-9(7-13(17)18)20-14(11)19/h1-4,6,9,11,19H,5,7-8H2,(H,15,16)(H,17,18)/t9-,11+/m1/s1
Definition date:	2022-01-13
Last modified:	2024-09-27
Release date:	2022-05-18
Identifier:	{(3R,7S)-2-hydroxy-3-[2-(thiophen-2-yl)acetamido]-2,3,4,7-tetrahydro-1,2-oxaborepin-7-yl}acetic acid

1LC

1LC
Name:	(2R)-2-cyano-3-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylcarbonyl)phenyl]propanamide
Formula:	C18 H14 N4 O2
SMILES:	N#CC(C(=O)N)Cc1cccc(c1)C(=O)c3c2cccnc2nc3
InChi:	InChI=1S/C18H14N4O2/c19-9-13(17(20)24)8-11-3-1-4-12(7-11)16(23)15-10-22-18-14(15)5-2-6-21-18/h1-7,10,13H,8H2,(H2,20,24)(H,21,22)/t13-/m1/s1
Definition date:	2013-03-18
Last modified:	2024-09-27
Release date:	2013-04-10
Identifier:	(2R)-2-cyano-3-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylcarbonyl)phenyl]propanamide

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