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A0Y

A0Y
Name:	phosphonooxy-[[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonylamino]methyl]borinic acid
Formula:	C9 H10 B F3 N5 O7 P S
SMILES:	OB(CN[S](=O)(=O)c1ccc(cc1C(F)(F)F)c2[nH]nnn2)O[P](O)(O)=O
InChi:	InChI=1S/C9H10BF3N5O7PS/c11-9(12,13)6-3-5(8-15-17-18-16-8)1-2-7(6)27(23,24)14-4-10(19)25-26(20,21)22/h1-3,14,19H,4H2,(H2,20,21,22)(H,15,16,17,18)
Definition date:	2017-07-05
Last modified:	2017-12-01
Release date:	2017-12-06
Identifier:	phosphonooxy-[[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonylamino]methyl]borinic acid

A1J

A1J
Name:	3-(5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl)benzoic acid
Formula:	C9 H13 B N O9 P S
SMILES:	c1ccc(CS(=O)(NCB(OP(O)(O)=O)O)=O)cc1C(O)=O
InChi:	InChI=1S/C9H13BNO9PS/c12-9(13)8-3-1-2-7(4-8)5-22(18,19)11-6-10(14)20-21(15,16)17/h1-4,11,14H,5-6H2,(H,12,13)(H2,15,16,17)
Definition date:	2017-07-05
Last modified:	2017-12-01
Release date:	2017-12-06
Identifier:	3-(5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl)benzoic acid

A1M

A1M
Name:	phosphonooxy-[[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]sulfonylamino]methyl]borinic acid
Formula:	C8 H11 B N5 O7 P S
SMILES:	OB(CN[S](=O)(=O)c1ccc(cc1)c2[nH]nnn2)O[P](O)(O)=O
InChi:	InChI=1S/C8H11BN5O7PS/c15-9(21-22(16,17)18)5-10-23(19,20)7-3-1-6(2-4-7)8-11-13-14-12-8/h1-4,10,15H,5H2,(H2,16,17,18)(H,11,12,13,14)
Definition date:	2017-07-05
Last modified:	2017-12-01
Release date:	2017-12-06
Identifier:	phosphonooxy-[[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]sulfonylamino]methyl]borinic acid

A7C

A7C
Name:	3-[1-(4-bromophenyl)-1H-1,2,3-triazol-4-yl]-1-[5-O-(trihydroxy-lambda~5~-phosphanyl)-beta-D-ribofuranosyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Formula:	C18 H20 Br N8 O7 P
SMILES:	C5(n4c1ncnc(c1c(c2nnn(c2)c3ccc(cc3)Br)n4)N)OC(C(C5O)O)COP(O)(O)O
InChi:	InChI=1S/C18H20BrN8O7P/c19-8-1-3-9(4-2-8)26-5-10(23-25-26)13-12-16(20)21-7-22-17(12)27(24-13)18-15(29)14(28)11(34-18)6-33-35(30,31)32/h1-5,7,11,14-15,18,28-32,35H,6H2,(H2,20,21,22)/t11-,14-,15-,18-/m1/s1
Definition date:	2017-11-01
Last modified:	2017-12-01
Release date:	2017-12-06
Identifier:	3-[1-(4-bromophenyl)-1H-1,2,3-triazol-4-yl]-1-[5-O-(trihydroxy-lambda~5~-phosphanyl)-beta-D-ribofuranosyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

7N4

7N4
Name:	{3-chloro-4-[(2-fluorophenyl)methoxy]phenyl}borinic acid
Formula:	C13 H11 B Cl F O2
SMILES:	B(c1cc(c(cc1)OCc2ccccc2F)Cl)O
InChi:	InChI=1S/C13H11BClFO2/c15-11-7-10(14-17)5-6-13(11)18-8-9-3-1-2-4-12(9)16/h1-7,14,17H,8H2
Definition date:	2016-11-21
Last modified:	2017-12-01
Release date:	2017-12-06
Identifier:	{3-chloro-4-[(2-fluorophenyl)methoxy]phenyl}borinic acid

7N7

7N7
Name:	naphthalen-2-ylboronic acid
Formula:	C10 H9 B O2
SMILES:	c1c2c(cc(B(O)O)c1)cccc2
InChi:	InChI=1S/C10H9BO2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,12-13H
Definition date:	2016-11-21
Last modified:	2017-12-01
Release date:	2017-12-06
Identifier:	naphthalen-2-ylboronic acid

7ND

7ND
Name:	(3-bromo-5-phenoxyphenyl)boronic acid
Formula:	C12 H10 B Br O3
SMILES:	Brc1cc(cc(c1)B(O)O)Oc2ccccc2
InChi:	InChI=1S/C12H10BBrO3/c14-10-6-9(13(15)16)7-12(8-10)17-11-4-2-1-3-5-11/h1-8,15-16H
Definition date:	2016-11-21
Last modified:	2017-12-01
Release date:	2017-12-06
Identifier:	(3-bromo-5-phenoxyphenyl)boronic acid

7NJ

7NJ
Name:	(3-bromo-4-methylphenyl)boronic acid
Formula:	C7 H8 B Br O2
SMILES:	Brc1c(ccc(c1)B(O)O)C
InChi:	InChI=1S/C7H8BBrO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,10-11H,1H3
Definition date:	2016-11-21
Last modified:	2017-12-01
Release date:	2017-12-06
Identifier:	(3-bromo-4-methylphenyl)boronic acid

7NM

7NM
Name:	[3-(benzyloxy)-4-methylphenyl]borinic acid
Formula:	C14 H15 B O2
SMILES:	Cc2c(OCc1ccccc1)cc(cc2)BO
InChi:	InChI=1S/C14H15BO2/c1-11-7-8-13(15-16)9-14(11)17-10-12-5-3-2-4-6-12/h2-9,15-16H,10H2,1H3
Definition date:	2016-11-21
Last modified:	2017-12-01
Release date:	2017-12-06
Identifier:	[3-(benzyloxy)-4-methylphenyl]borinic acid

7NS

7NS
Name:	[3-bromo-5-(pyrrolidin-1-yl)phenyl]borinic acid
Formula:	C10 H13 B Br N O
SMILES:	Brc1cc(BO)cc(c1)N2CCCC2
InChi:	InChI=1S/C10H13BBrNO/c12-9-5-8(11-14)6-10(7-9)13-3-1-2-4-13/h5-7,11,14H,1-4H2
Definition date:	2016-11-21
Last modified:	2017-12-01
Release date:	2017-12-06
Identifier:	[3-bromo-5-(pyrrolidin-1-yl)phenyl]borinic acid

7O8

7O8
Name:	5-[(4-chlorophenyl)methylsulfanyl]thiophene-2-sulfonamide
Formula:	C11 H10 Cl N O2 S3
SMILES:	N[S](=O)(=O)c1sc(SCc2ccc(Cl)cc2)cc1
InChi:	InChI=1S/C11H10ClNO2S3/c12-9-3-1-8(2-4-9)7-16-10-5-6-11(17-10)18(13,14)15/h1-6H,7H2,(H2,13,14,15)
Definition date:	2016-12-01
Last modified:	2017-12-01
Release date:	2017-12-06
Identifier:	5-[(4-chlorophenyl)methylsulfanyl]thiophene-2-sulfonamide

7PJ

7PJ
Name:	[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetic acid
Formula:	C7 H7 N5 O3 S
SMILES:	c21c(nc(n1)SCC(O)=O)N=C(N)NC2=O
InChi:	InChI=1S/C7H7N5O3S/c8-6-10-4-3(5(15)12-6)9-7(11-4)16-1-2(13)14/h1H2,(H,13,14)(H4,8,9,10,11,12,15)
Definition date:	2016-11-28
Last modified:	2017-12-01
Release date:	2017-12-06
Identifier:	[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetic acid

7PM

7PM
Name:	(2R)-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl](phenyl)acetic acid
Formula:	C13 H11 N5 O3 S
SMILES:	c1ccc(cc1)C(C(O)=O)Sc3nc2c(C(NC(N)=N2)=O)n3
InChi:	InChI=1S/C13H11N5O3S/c14-12-16-9-7(10(19)18-12)15-13(17-9)22-8(11(20)21)6-4-2-1-3-5-6/h1-5,8H,(H,20,21)(H4,14,15,16,17,18,19)/t8-/m1/s1
Definition date:	2016-11-28
Last modified:	2017-12-01
Release date:	2017-12-06
Identifier:	(2R)-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl](phenyl)acetic acid

7PS

7PS
Name:	2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-methylacetamide
Formula:	C8 H10 N6 O2 S
SMILES:	c21c(nc(SCC(=O)NC)n1)N=C(N)NC2=O
InChi:	InChI=1S/C8H10N6O2S/c1-10-3(15)2-17-8-11-4-5(13-8)12-7(9)14-6(4)16/h2H2,1H3,(H,10,15)(H4,9,11,12,13,14,16)
Definition date:	2016-11-28
Last modified:	2017-12-01
Release date:	2017-12-06
Identifier:	2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-methylacetamide

7PV

7PV
Name:	4-{2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]ethyl}benzene-1-sulfonamide
Formula:	C13 H14 N6 O3 S2
SMILES:	c3(CCSc2nc1c(C(NC(N)=N1)=O)n2)ccc(cc3)S(N)(=O)=O
InChi:	InChI=1S/C13H14N6O3S2/c14-12-17-10-9(11(20)19-12)16-13(18-10)23-6-5-7-1-3-8(4-2-7)24(15,21)22/h1-4H,5-6H2,(H2,15,21,22)(H4,14,16,17,18,19,20)
Definition date:	2016-11-28
Last modified:	2017-12-01
Release date:	2017-12-06
Identifier:	4-{2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]ethyl}benzene-1-sulfonamide

7RM

7RM
Name:	5'-O-(acetylsulfamoyl)adenosine
Formula:	C12 H16 N6 O7 S
SMILES:	CC(NS(=O)(=O)OCC3C(O)C(O)C(n2cnc1c2ncnc1N)O3)=O
InChi:	InChI=1S/C12H16N6O7S/c1-5(19)17-26(22,23)24-2-6-8(20)9(21)12(25-6)18-4-16-7-10(13)14-3-15-11(7)18/h3-4,6,8-9,12,20-21H,2H2,1H3,(H,17,19)(H2,13,14,15)/t6-,8-,9-,12-/m1/s1
Definition date:	2016-12-01
Last modified:	2017-12-01
Release date:	2017-12-06
Identifier:	5'-O-(acetylsulfamoyl)adenosine

7YU

7YU
Name:	(+)-Yatakemycin
Formula:	C35 H29 N5 O8 S
SMILES:	COc1cc2[nH]c(cc2cc1O)C(=O)N3C[CH]4C[C]45C3=CC(=O)c6[nH]c(cc56)C(=O)N7CCc8c9cc([nH]c9c(OC)c(O)c78)C(=O)SC
InChi:	InChI=1S/C35H29N5O8S/c1-47-25-10-19-14(7-23(25)41)6-20(36-19)33(45)40-13-15-12-35(15)18-9-21(37-28(18)24(42)11-26(35)40)32(44)39-5-4-16-17-8-22(34(46)49-3)38-27(17)31(48-2)30(43)29(16)39/h6-11,15,36-38,41,43H,4-5,12-13H2,1-3H3/t15-,35-/m1/s1
Definition date:	2017-02-21
Last modified:	2017-12-01
Release date:	2017-12-06

9GM

9GM
Name:	2-amino-9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-alpha-L-xylofuranosyl}-1,9-dihydro-6H-purin-6-one
Formula:	C10 H17 N6 O13 P3
SMILES:	C2(=Nc1n(cnc1C(=O)N2)C3OC(C(O)C3O)COP(=O)(OP(O)(=O)NP(O)(=O)O)O)N
InChi:	InChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5+,6-,9+/m0/s1
Definition date:	2017-05-10
Last modified:	2017-12-01
Release date:	2017-12-06
Identifier:	2-amino-9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-alpha-L-xylofuranosyl}-1,9-dihydro-6H-purin-6-one

B7V

B7V
Name:	3-[(4-chloro-3-methoxyphenyl)amino]-1-[(3R,4S)-4-cyanooxan-3-yl]-1H-pyrazole-4-carboxamide
Formula:	C17 H18 Cl N5 O3
SMILES:	C(c2cn(C1C(CCOC1)C#N)nc2Nc3cc(OC)c(cc3)Cl)(N)=O
InChi:	InChI=1S/C17H18ClN5O3/c1-25-15-6-11(2-3-13(15)18)21-17-12(16(20)24)8-23(22-17)14-9-26-5-4-10(14)7-19/h2-3,6,8,10,14H,4-5,9H2,1H3,(H2,20,24)(H,21,22)/t10-,14+/m1/s1
Definition date:	2017-08-04
Last modified:	2017-12-01
Release date:	2017-12-06
Identifier:	3-[(4-chloro-3-methoxyphenyl)amino]-1-[(3R,4S)-4-cyanooxan-3-yl]-1H-pyrazole-4-carboxamide

BBJ

BBJ
Name:	N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide
Formula:	C11 H13 Br F N7 O4 S
SMILES:	c1c(cc(Br)c(c1)F)NC(=N/O)c2nonc2NCCNS(N)(=O)=O
InChi:	InChI=1S/C11H13BrFN7O4S/c12-7-5-6(1-2-8(7)13)17-11(18-21)9-10(20-24-19-9)15-3-4-16-25(14,22)23/h1-2,5,16,21H,3-4H2,(H,15,20)(H,17,18)(H2,14,22,23)
Definition date:	2017-08-07
Last modified:	2017-12-01
Release date:	2017-12-06
Identifier:	N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide

8V5

8V5
Name:	5-(2-morpholin-4-ylcarbonyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide
Formula:	C12 H13 N3 O5 S2
SMILES:	N[S](=O)(=O)c1sc(cc1)c2oc(nc2)C(=O)N3CCOCC3
InChi:	InChI=1S/C12H13N3O5S2/c13-22(17,18)10-2-1-9(21-10)8-7-14-11(20-8)12(16)15-3-5-19-6-4-15/h1-2,7H,3-6H2,(H2,13,17,18)
Definition date:	2017-03-10
Last modified:	2017-12-01
Release date:	2017-12-06
Identifier:	5-(2-morpholin-4-ylcarbonyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide

8V8

8V8
Name:	4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
Formula:	C10 H10 N2 O3 S
SMILES:	Cc1oc(cn1)c2ccc(cc2)[S](N)(=O)=O
InChi:	InChI=1S/C10H10N2O3S/c1-7-12-6-10(15-7)8-2-4-9(5-3-8)16(11,13)14/h2-6H,1H3,(H2,11,13,14)
Definition date:	2017-03-10
Last modified:	2017-12-01
Release date:	2017-12-06
Identifier:	4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide

8Y4

8Y4
Name:	2-[(2-amino-9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-phenylacetamide
Formula:	C14 H14 N6 O2 S
SMILES:	c1ccc(cc1)NC(=O)CSc3nc2C(=O)NC(=Nc2n3C)N
InChi:	InChI=1S/C14H14N6O2S/c1-20-11-10(12(22)19-13(15)18-11)17-14(20)23-7-9(21)16-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,16,21)(H3,15,18,19,22)
Definition date:	2017-03-20
Last modified:	2017-12-01
Release date:	2017-12-06
Identifier:	2-[(2-amino-9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-phenylacetamide

8Y7

8Y7
Name:	[(2-amino-9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetic acid
Formula:	C8 H9 N5 O3 S
SMILES:	c21nc(n(c1N=C(NC2=O)N)C)SCC(O)=O
InChi:	InChI=1S/C8H9N5O3S/c1-13-5-4(6(16)12-7(9)11-5)10-8(13)17-2-3(14)15/h2H2,1H3,(H,14,15)(H3,9,11,12,16)
Definition date:	2017-03-20
Last modified:	2017-12-01
Release date:	2017-12-06
Identifier:	[(2-amino-9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetic acid

8YQ

8YQ
Name:	(2~{R},3~{R},5~{R})-2-[[2-[[3-(aminomethyl)phenyl]methoxy]-4-[[3-(1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-5-chloranyl-phenyl]methyl]-5-oxidanyl-pyrrolidine-3-carboxylic acid
Formula:	C36 H35 Cl N2 O7
SMILES:	Cc1c(COc2cc(OCc3cccc(CN)c3)c(C[CH]4N[CH](O)C[CH]4C(O)=O)cc2Cl)cccc1c5ccc6OC=COc6c5
InChi:	InChI=1S/C36H35ClN2O7/c1-21-25(6-3-7-27(21)24-8-9-31-34(15-24)44-11-10-43-31)20-46-33-17-32(45-19-23-5-2-4-22(12-23)18-38)26(13-29(33)37)14-30-28(36(41)42)16-35(40)39-30/h2-13,15,17,28,30,35,39-40H,14,16,18-20,38H2,1H3,(H,41,42)/t28-,30-,35-/m1/s1
Definition date:	2017-03-27
Last modified:	2017-12-01
Release date:	2017-12-06
Identifier:	(2~{R},3~{R},5~{R})-2-[[2-[[3-(aminomethyl)phenyl]methoxy]-4-[[3-(1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-5-chloranyl-phenyl]methyl]-5-oxidanyl-pyrrolidine-3-carboxylic acid

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