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QHO

QHO
Name:	2,3,5-trifluoro-N-hydroxybenzamide
Formula:	C7 H4 F3 N O2
SMILES:	Fc1c(cc(F)cc1F)C(=O)NO
InChi:	InChI=1S/C7H4F3NO2/c8-3-1-4(7(12)11-13)6(10)5(9)2-3/h1-2,13H,(H,11,12)
Definition date:	2022-06-10
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	2,3,5-trifluoro-N-hydroxybenzamide

QHX

QHX
Name:	3,5-difluoro-N-hydroxybenzamide
Formula:	C7 H5 F2 N O2
SMILES:	Fc1cc(cc(F)c1)C(=O)NO
InChi:	InChI=1S/C7H5F2NO2/c8-5-1-4(7(11)10-12)2-6(9)3-5/h1-3,12H,(H,10,11)
Definition date:	2022-06-10
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	3,5-difluoro-N-hydroxybenzamide

QI5

QI5
Name:	2,3,4,5,6-pentafluoro-N-hydroxybenzamide
Formula:	C7 H2 F5 N O2
SMILES:	Fc1c(c(F)c(F)c(F)c1F)C(=O)NO
InChi:	InChI=1S/C7H2F5NO2/c8-2-1(7(14)13-15)3(9)5(11)6(12)4(2)10/h15H,(H,13,14)
Definition date:	2022-06-10
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	2,3,4,5,6-pentafluoro-N-hydroxybenzamide

QI8

QI8
Name:	2,3,5,6-tetrafluoro-N-hydroxybenzamide
Formula:	C7 H3 F4 N O2
SMILES:	Fc1c(C(=O)NO)c(F)c(F)cc1F
InChi:	InChI=1S/C7H3F4NO2/c8-2-1-3(9)6(11)4(5(2)10)7(13)12-14/h1,14H,(H,12,13)
Definition date:	2022-06-10
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	2,3,5,6-tetrafluoro-N-hydroxybenzamide

YPV

YPV
Name:	5-[(4-butylphenyl)sulfamoyl]-2-hydroxybenzoic acid
Formula:	C17 H19 N O5 S
SMILES:	Oc1ccc(cc1C(=O)O)S(=O)(=O)Nc1ccc(CCCC)cc1
InChi:	InChI=1S/C17H19NO5S/c1-2-3-4-12-5-7-13(8-6-12)18-24(22,23)14-9-10-16(19)15(11-14)17(20)21/h5-11,18-19H,2-4H2,1H3,(H,20,21)
Definition date:	2021-03-19
Last modified:	2022-09-16
Release date:	2022-09-21
Identifier:	5-[(4-butylphenyl)sulfamoyl]-2-hydroxybenzoic acid

YQ4

YQ4
Name:	(~{R})-phenyl-[4-[(tributyl-$l^{4}-azanyl)methyl]phenyl]methanol
Formula:	C26 H40 N O
SMILES:	CCCC[N](CCCC)(CCCC)Cc1ccc(cc1)[CH](O)c2ccccc2
InChi:	InChI=1S/C26H40NO/c1-4-7-19-27(20-8-5-2,21-9-6-3)22-23-15-17-25(18-16-23)26(28)24-13-11-10-12-14-24/h10-18,26,28H,4-9,19-22H2,1-3H3/t26-/m1/s1
Definition date:	2021-03-22
Last modified:	2022-09-16
Release date:	2022-09-21
Identifier:	(~{R})-phenyl-[4-[(tributyl-$l^{4}-azanyl)methyl]phenyl]methanol

WIO

WIO
Name:	(1R,2S)-2-[(N-{[2-(3-fluorophenoxy)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
Formula:	C24 H36 F N3 O9 S
SMILES:	CC(C)CC(NC(=O)OCC(C)(C)Oc1cccc(F)c1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:	InChI=1S/C24H36FN3O9S/c1-14(2)10-18(28-23(32)36-13-24(3,4)37-17-7-5-6-16(25)12-17)21(30)27-19(22(31)38(33,34)35)11-15-8-9-26-20(15)29/h5-7,12,14-15,18-19,22,31H,8-11,13H2,1-4H3,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t15-,18-,19-,22+/m0/s1
Definition date:	2022-09-13
Last modified:	2022-09-16
Release date:	2022-09-21
Identifier:	(1R,2S)-2-[(N-{[2-(3-fluorophenoxy)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

UQO

UQO
Name:	(1S,2S)-2-[(N-{[2-(benzenesulfonyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
Formula:	C24 H37 N3 O10 S2
SMILES:	CC(C)CC(NC(=O)OCC(C)(C)S(=O)(=O)c1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:	InChI=1S/C24H37N3O10S2/c1-15(2)12-18(21(29)26-19(22(30)39(34,35)36)13-16-10-11-25-20(16)28)27-23(31)37-14-24(3,4)38(32,33)17-8-6-5-7-9-17/h5-9,15-16,18-19,22,30H,10-14H2,1-4H3,(H,25,28)(H,26,29)(H,27,31)(H,34,35,36)/t16-,18-,19-,22-/m0/s1
Definition date:	2022-08-23
Last modified:	2022-09-16
Release date:	2022-09-21
Identifier:	(1S,2S)-2-[(N-{[2-(benzenesulfonyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

WIX

WIX
Name:	(1S,2S)-2-[(N-{[(2R)-2-(3-chlorophenyl)-2-hydroxypropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
Formula:	C23 H34 Cl N3 O9 S
SMILES:	Clc1cccc(c1)C(C)(O)COC(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:	InChI=1S/C23H34ClN3O9S/c1-13(2)9-17(27-22(31)36-12-23(3,32)15-5-4-6-16(24)11-15)20(29)26-18(21(30)37(33,34)35)10-14-7-8-25-19(14)28/h4-6,11,13-14,17-18,21,30,32H,7-10,12H2,1-3H3,(H,25,28)(H,26,29)(H,27,31)(H,33,34,35)/t14-,17-,18-,21-,23-/m0/s1
Definition date:	2022-09-13
Last modified:	2022-09-16
Release date:	2022-09-21
Identifier:	(1S,2S)-2-[(N-{[(2R)-2-(3-chlorophenyl)-2-hydroxypropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

WJ0

WJ0
Name:	(1R,2S)-2-[(N-{[(2S)-2-(3-chlorophenyl)-2-hydroxypropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]propane-1-sulfonic acid
Formula:	C23 H32 Cl N3 O9 S
SMILES:	O=C1N=CCC1CC(NC(=O)C(CC(C)C)NC(=O)OCC(C)(O)c1cccc(Cl)c1)C(O)S(=O)(=O)O
InChi:	InChI=1S/C23H32ClN3O9S/c1-13(2)9-17(27-22(31)36-12-23(3,32)15-5-4-6-16(24)11-15)20(29)26-18(21(30)37(33,34)35)10-14-7-8-25-19(14)28/h4-6,8,11,13-14,17-18,21,30,32H,7,9-10,12H2,1-3H3,(H,26,29)(H,27,31)(H,33,34,35)/t14-,17-,18-,21+,23+/m0/s1
Definition date:	2022-09-13
Last modified:	2022-09-16
Release date:	2022-09-21
Identifier:	(1R,2S)-2-[(N-{[(2S)-2-(3-chlorophenyl)-2-hydroxypropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]propane-1-sulfonic acid

WJB

WJB
Name:	(1R,2S)-2-[(N-{[2-(benzenesulfonyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
Formula:	C24 H37 N3 O10 S2
SMILES:	CC(C)CC(NC(=O)OCC(C)(C)S(=O)(=O)c1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:	InChI=1S/C24H37N3O10S2/c1-15(2)12-18(21(29)26-19(22(30)39(34,35)36)13-16-10-11-25-20(16)28)27-23(31)37-14-24(3,4)38(32,33)17-8-6-5-7-9-17/h5-9,15-16,18-19,22,30H,10-14H2,1-4H3,(H,25,28)(H,26,29)(H,27,31)(H,34,35,36)/t16-,18-,19-,22+/m0/s1
Definition date:	2022-09-13
Last modified:	2022-09-16
Release date:	2022-09-21
Identifier:	(1R,2S)-2-[(N-{[2-(benzenesulfonyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

T2L

T2L
Name:	(1R,2S,5S)-N-{(1S,2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
Formula:	C30 H37 F4 N5 O5 S
SMILES:	FC(F)(F)C(=O)NC(C(=O)N1CC2C(C1C(=O)NC(CC1CCNC1=O)C(O)c1nc3c(F)cccc3s1)C2(C)C)C(C)(C)C
InChi:	InChI=1S/C30H37F4N5O5S/c1-28(2,3)22(38-27(44)30(32,33)34)26(43)39-12-14-18(29(14,4)5)20(39)24(42)36-16(11-13-9-10-35-23(13)41)21(40)25-37-19-15(31)7-6-8-17(19)45-25/h6-8,13-14,16,18,20-22,40H,9-12H2,1-5H3,(H,35,41)(H,36,42)(H,38,44)/t13-,14-,16-,18-,20-,21-,22+/m0/s1
Definition date:	2022-07-15
Last modified:	2022-09-16
Release date:	2022-09-21
Identifier:	(1R,2S,5S)-N-{(1S,2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide

TI0

TI0
Name:	4-nitrophenyl 2-acetamido-2-deoxy-alpha-D-galactopyranoside
Formula:	C14 H18 N2 O8
SMILES:	[O-][N+](=O)c1ccc(cc1)OC1OC(CO)C(O)C(O)C1NC(C)=O
InChi:	InChI=1S/C14H18N2O8/c1-7(18)15-11-13(20)12(19)10(6-17)24-14(11)23-9-4-2-8(3-5-9)16(21)22/h2-5,10-14,17,19-20H,6H2,1H3,(H,15,18)/t10-,11-,12+,13-,14+/m1/s1
Definition date:	2022-07-21
Last modified:	2022-09-16
Release date:	2022-09-21
Identifier:	4-nitrophenyl 2-acetamido-2-deoxy-alpha-D-galactopyranoside

TLR

TLR
Name:	5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-{[2-(trifluoromethyl)phenyl]methyl}-1,6-dihydropyrimidine-4-carboxamide
Formula:	C21 H19 F3 N4 O4
SMILES:	OC1=C(N=C(Cc2ccccc2C(F)(F)F)NC1=O)C(=O)NCCc1ccnc(OC)c1
InChi:	InChI=1S/C21H19F3N4O4/c1-32-16-10-12(6-8-25-16)7-9-26-19(30)17-18(29)20(31)28-15(27-17)11-13-4-2-3-5-14(13)21(22,23)24/h2-6,8,10,29H,7,9,11H2,1H3,(H,26,30)(H,27,28,31)
Definition date:	2022-07-27
Last modified:	2022-09-16
Release date:	2022-09-21
Identifier:	5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-{[2-(trifluoromethyl)phenyl]methyl}-1,6-dihydropyrimidine-4-carboxamide

U90

U90
Name:	3-O-methyl-alpha-D-mannopyranose
Formula:	C7 H14 O6
SMILES:	OC1C(OC)C(O)C(CO)OC1O
InChi:	InChI=1S/C7H14O6/c1-12-6-4(9)3(2-8)13-7(11)5(6)10/h3-11H,2H2,1H3/t3-,4-,5+,6+,7+/m1/s1
Definition date:	2022-08-10
Last modified:	2022-09-16
Release date:	2022-09-21
Identifier:	3-O-methyl-alpha-D-mannopyranose

UBH

UBH
Name:	3-O-methyl-alpha-D-rhamnopyranose
Formula:	C7 H14 O5
SMILES:	OC1C(OC)C(O)C(C)OC1O
InChi:	InChI=1S/C7H14O5/c1-3-4(8)6(11-2)5(9)7(10)12-3/h3-10H,1-2H3/t3-,4-,5+,6+,7+/m1/s1
Synonyms:	6-deoxy-3-O-methyl-alpha-D-mannopyranose
Definition date:	2022-08-16
Last modified:	2022-09-16
Release date:	2022-09-21
Identifier:	6-deoxy-3-O-methyl-alpha-D-mannopyranose

UBO

UBO
Name:	beta-D-rhamnopyranose
Formula:	C6 H12 O5
SMILES:	OC1C(O)C(C)OC(O)C1O
InChi:	InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6-/m1/s1
Synonyms:	6-deoxy-beta-D-mannopyranose
Definition date:	2022-08-16
Last modified:	2022-09-16
Release date:	2022-09-21
Identifier:	6-deoxy-beta-D-mannopyranose

KRU

KRU
Name:	1,3-dihydroisoindol-2-yl-[(2R,4S)-4-phenylpyrrolidin-1-ium-2-yl]methanone
Formula:	C19 H21 N2 O
SMILES:	O=C([CH]1C[CH](C[NH2+]1)c2ccccc2)N3Cc4ccccc4C3
InChi:	InChI=1S/C19H20N2O/c22-19(21-12-15-8-4-5-9-16(15)13-21)18-10-17(11-20-18)14-6-2-1-3-7-14/h1-9,17-18,20H,10-13H2/p+1/t17-,18-/m1/s1
Definition date:	2022-06-07
Last modified:	2022-09-16
Release date:	2022-09-21
Identifier:	1,3-dihydroisoindol-2-yl-[(2~{R},4~{S})-4-phenylpyrrolidin-1-ium-2-yl]methanone

0I0

0I0
Name:	2-[1,5-dimethyl-2,4-bis(oxidanylidene)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazolin-3-yl]-N-(2-pyren-1-yloxyethyl)ethanamide
Formula:	C37 H31 N3 O7
SMILES:	CN1C(=O)N(CC(=O)NCCOc2ccc3ccc4cccc5ccc2c3c45)C(=O)c6c(C)c(ccc16)C(=O)C7=C(O)CCCC7=O
InChi:	InChI=1S/C37H31N3O7/c1-20-24(35(44)34-27(41)7-4-8-28(34)42)14-15-26-31(20)36(45)40(37(46)39(26)2)19-30(43)38-17-18-47-29-16-12-23-10-9-21-5-3-6-22-11-13-25(29)33(23)32(21)22/h3,5-6,9-16,41H,4,7-8,17-19H2,1-2H3,(H,38,43)
Definition date:	2022-01-20
Last modified:	2022-09-16
Release date:	2022-09-21
Identifier:	2-[1,5-dimethyl-2,4-bis(oxidanylidene)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazolin-3-yl]-~{N}-(2-pyren-1-yloxyethyl)ethanamide

KIZ

KIZ
Name:	[(2~{R})-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl]azanium
Formula:	C11 H16 F N2 O
SMILES:	CN(C)C(=O)[CH]([NH3+])Cc1ccc(F)cc1
InChi:	InChI=1S/C11H15FN2O/c1-14(2)11(15)10(13)7-8-3-5-9(12)6-4-8/h3-6,10H,7,13H2,1-2H3/p+1/t10-/m1/s1
Definition date:	2022-05-26
Last modified:	2022-09-16
Release date:	2022-09-21
Identifier:	[(2~{R})-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl]azanium

KJF

KJF
Name:	[(2~{R})-1-oxidanylidene-4-phenyl-1-pyrrolidin-1-yl-butan-2-yl]azanium
Formula:	C14 H21 N2 O
SMILES:	[NH3+][CH](CCc1ccccc1)C(=O)N2CCCC2
InChi:	InChI=1S/C14H20N2O/c15-13(14(17)16-10-4-5-11-16)9-8-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11,15H2/p+1/t13-/m1/s1
Definition date:	2022-05-26
Last modified:	2022-09-16
Release date:	2022-09-21
Identifier:	[(2~{R})-1-oxidanylidene-4-phenyl-1-pyrrolidin-1-yl-butan-2-yl]azanium

KJN

KJN
Name:	[(2~{R})-1-(dimethylamino)-1-oxidanylidene-4-phenyl-butan-2-yl]azanium
Formula:	C12 H19 N2 O
SMILES:	CN(C)C(=O)[CH]([NH3+])CCc1ccccc1
InChi:	InChI=1S/C12H18N2O/c1-14(2)12(15)11(13)9-8-10-6-4-3-5-7-10/h3-7,11H,8-9,13H2,1-2H3/p+1/t11-/m1/s1
Definition date:	2022-05-26
Last modified:	2022-09-16
Release date:	2022-09-21
Identifier:	[(2~{R})-1-(dimethylamino)-1-oxidanylidene-4-phenyl-butan-2-yl]azanium

KK0

KK0
Name:	(5~{S})-5-(4-chlorophenyl)pyrrolidin-2-one
Formula:	C10 H10 Cl N O
SMILES:	Clc1ccc(cc1)[CH]2CCC(=O)N2
InChi:	InChI=1S/C10H10ClNO/c11-8-3-1-7(2-4-8)9-5-6-10(13)12-9/h1-4,9H,5-6H2,(H,12,13)/t9-/m0/s1
Definition date:	2022-05-26
Last modified:	2022-09-16
Release date:	2022-09-21
Identifier:	(5~{S})-5-(4-chlorophenyl)pyrrolidin-2-one

KKI

KKI
Name:	2-[4-[(2~{R},4~{S})-4-phenylpyrrolidin-2-yl]carbonylpiperazin-1-yl]pyridine-3-carbonitrile
Formula:	C21 H23 N5 O
SMILES:	O=C([CH]1C[CH](CN1)c2ccccc2)N3CCN(CC3)c4ncccc4C#N
InChi:	InChI=1S/C21H23N5O/c22-14-17-7-4-8-23-20(17)25-9-11-26(12-10-25)21(27)19-13-18(15-24-19)16-5-2-1-3-6-16/h1-8,18-19,24H,9-13,15H2/t18-,19-/m1/s1
Definition date:	2022-05-26
Last modified:	2022-09-16
Release date:	2022-09-21
Identifier:	2-[4-[(2~{R},4~{S})-4-phenylpyrrolidin-2-yl]carbonylpiperazin-1-yl]pyridine-3-carbonitrile

KKW

KKW
Name:	[(2~{R},4~{S})-4-(3-chlorophenyl)pyrrolidin-2-yl]-(4-thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)methanone
Formula:	C22 H23 Cl N4 O S
SMILES:	Clc1cccc(c1)[CH]2CN[CH](C2)C(=O)N3CCN(CC3)c4nccc5ccsc45
InChi:	InChI=1S/C22H23ClN4OS/c23-18-3-1-2-16(12-18)17-13-19(25-14-17)22(28)27-9-7-26(8-10-27)21-20-15(4-6-24-21)5-11-29-20/h1-6,11-12,17,19,25H,7-10,13-14H2/t17-,19-/m1/s1
Definition date:	2022-05-26
Last modified:	2022-09-16
Release date:	2022-09-21
Identifier:	[(2~{R},4~{S})-4-(3-chlorophenyl)pyrrolidin-2-yl]-(4-thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)methanone

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