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KV3

KV3
Name:	(1~{S},3~{R})-3-[(10~{S})-13-chloranyl-2-(2,2-dimethylpropyl)-10-(2-methoxyphenyl)-3,5-bis(oxidanylidene)-9-oxa-2,6-diazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-6-yl]cyclohexane-1-carboxylic acid
Formula:	C31 H39 Cl N2 O6
SMILES:	COc1ccccc1[CH]2OCCN([CH]3CCC[CH](C3)C(O)=O)C(=O)CC(=O)N(CC(C)(C)C)c4ccc(Cl)cc24
InChi:	InChI=1S/C31H39ClN2O6/c1-31(2,3)19-34-25-13-12-21(32)17-24(25)29(23-10-5-6-11-26(23)39-4)40-15-14-33(27(35)18-28(34)36)22-9-7-8-20(16-22)30(37)38/h5-6,10-13,17,20,22,29H,7-9,14-16,18-19H2,1-4H3,(H,37,38)/t20-,22+,29+/m0/s1
Definition date:	2022-10-17
Last modified:	2024-05-17
Release date:	2024-05-22
Identifier:	(1~{S},3~{R})-3-[(10~{S})-13-chloranyl-2-(2,2-dimethylpropyl)-10-(2-methoxyphenyl)-3,5-bis(oxidanylidene)-9-oxa-2,6-diazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-6-yl]cyclohexane-1-carboxylic acid

XHK

XHK
Name:	6-[4-(2-aminoethyl)anilino]-5-chloro-3-methylpyrimidin-4(3H)-one
Formula:	C13 H15 Cl N4 O
SMILES:	ClC1=C(N=CN(C)C1=O)Nc1ccc(CCN)cc1
InChi:	InChI=1S/C13H15ClN4O/c1-18-8-16-12(11(14)13(18)19)17-10-4-2-9(3-5-10)6-7-15/h2-5,8,17H,6-7,15H2,1H3
Definition date:	2022-11-17
Last modified:	2024-05-17
Release date:	2024-05-22
Identifier:	6-[4-(2-aminoethyl)anilino]-5-chloro-3-methylpyrimidin-4(3H)-one

XUK

XUK
Name:	3-bromanylimidazo[1,2-a]pyridin-6-amine
Formula:	C7 H6 Br N3
SMILES:	Nc1ccc2ncc(Br)n2c1
InChi:	InChI=1S/C7H6BrN3/c8-6-3-10-7-2-1-5(9)4-11(6)7/h1-4H,9H2
Definition date:	2023-11-14
Last modified:	2024-05-17
Release date:	2024-05-22
Identifier:	3-bromanylimidazo[1,2-a]pyridin-6-amine

Y74

Y74
Name:	2-[(3~{S},10~{R},13~{E},16~{S})-10-[(3-chloranyl-4-methoxy-phenyl)methyl]-6,6-dimethyl-2,5,9,12-tetrakis(oxidanylidene)-16-[(1~{S})-1-[(2~{R},3~{R})-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-en-3-yl]ethanoic acid
Formula:	C34 H39 Cl N2 O10
SMILES:	COc1ccc(C[CH]2NC(=O)C=CC[CH](OC(=O)[CH](CC(O)=O)OC(=O)C(C)(C)CNC2=O)[CH](C)[CH]3O[CH]3c4ccccc4)cc1Cl
InChi:	InChI=1S/C34H39ClN2O10/c1-19(29-30(47-29)21-9-6-5-7-10-21)24-11-8-12-27(38)37-23(16-20-13-14-25(44-4)22(35)15-20)31(41)36-18-34(2,3)33(43)46-26(17-28(39)40)32(42)45-24/h5-10,12-15,19,23-24,26,29-30H,11,16-18H2,1-4H3,(H,36,41)(H,37,38)(H,39,40)/t19-,23+,24?,26+,29-,30?/m1/s1
Definition date:	2023-11-23
Last modified:	2024-05-17
Release date:	2024-05-22
Identifier:	2-[(3~{S},10~{R},13~{E},16~{S})-10-[(3-chloranyl-4-methoxy-phenyl)methyl]-6,6-dimethyl-2,5,9,12-tetrakis(oxidanylidene)-16-[(1~{S})-1-[(2~{R},3~{R})-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-en-3-yl]ethanoic acid

A1ADO

A1ADO
Name:	(4R)-5-fluoro-L-leucine
Formula:	C6 H12 F N O2
SMILES:	FCC(C)CC(N)C(=O)O
InChi:	InChI=1S/C6H12FNO2/c1-4(3-7)2-5(8)6(9)10/h4-5H,2-3,8H2,1H3,(H,9,10)/t4-,5+/m1/s1
Definition date:	2024-01-23
Last modified:	2024-05-17
Release date:	2024-05-22
Identifier:	(4R)-5-fluoro-L-leucine

A1H4A

A1H4A
Name:	8-[4-methyl-3-(trifluoromethyl)phenyl]-2-[[(7S)-7-(2-morpholin-4-ylethylcarbamoyl)-4-(phenylsulfonyl)-1,4-diazepan-1-yl]carbonyl]imidazo[1,2-a]pyridine-6-carboxylic acid
Formula:	C35 H37 F3 N6 O7 S
SMILES:	Cc1ccc(cc1C(F)(F)F)c2cc(cn3cc(nc23)C(=O)N4CCN(CC[CH]4C(=O)NCCN5CCOCC5)[S](=O)(=O)c6ccccc6)C(O)=O
InChi:	InChI=1S/C35H37F3N6O7S/c1-23-7-8-24(20-28(23)35(36,37)38)27-19-25(34(47)48)21-42-22-29(40-31(27)42)33(46)44-14-13-43(52(49,50)26-5-3-2-4-6-26)11-9-30(44)32(45)39-10-12-41-15-17-51-18-16-41/h2-8,19-22,30H,9-18H2,1H3,(H,39,45)(H,47,48)/t30-/m0/s1
Synonyms:	LIPID FRAGMENT
Definition date:	2024-02-13
Last modified:	2024-05-17
Release date:	2024-05-22
Identifier:	8-[4-methyl-3-(trifluoromethyl)phenyl]-2-[[(7~{S})-7-(2-morpholin-4-ylethylcarbamoyl)-4-(phenylsulfonyl)-1,4-diazepan-1-yl]carbonyl]imidazo[1,2-a]pyridine-6-carboxylic acid

A1H58

A1H58
Name:	azanyl-chloranyl-(2-methylpyridin-1-ium-1-yl)platinum
Formula:	C6 H9 Cl N2 Pt
SMILES:	Cc1cccc[n+]1[Pt](N)Cl
InChi:	InChI=1S/C6H7N.ClH.H2N.Pt/c1-6-4-2-3-5-7-6
Definition date:	2024-03-14
Last modified:	2024-05-17
Release date:	2024-05-22
Identifier:	azanyl-chloranyl-(2-methylpyridin-1-ium-1-yl)platinum

A1H8H

A1H8H
Name:	1-[2,4-bis(fluoranyl)phenyl]-2-(3,4-dihydro-1,2,4-triazol-2-yl)ethanone
Formula:	C10 H9 F2 N3 O
SMILES:	Fc1ccc(C(=O)CN2CNC=N2)c(F)c1
InChi:	InChI=1S/C10H9F2N3O/c11-7-1-2-8(9(12)3-7)10(16)4-15-6-13-5-14-15/h1-3,5H,4,6H2,(H,13,14)
Definition date:	2024-04-16
Last modified:	2024-05-17
Release date:	2024-05-22
Identifier:	1-[2,4-bis(fluoranyl)phenyl]-2-(3,4-dihydro-1,2,4-triazol-2-yl)ethanone

UEU

UEU
Name:	4-[5-[(3~{R})-3-azanylpyrrolidin-1-yl]carbonyl-2-[2-fluoranyl-4-(2-methyl-2-oxidanyl-propyl)phenyl]phenyl]-2-fluoranyl-benzenecarbonitrile
Formula:	C28 H27 F2 N3 O2
SMILES:	CC(C)(O)Cc1ccc(c(F)c1)c2ccc(cc2c3ccc(C#N)c(F)c3)C(=O)N4CC[CH](N)C4
InChi:	InChI=1S/C28H27F2N3O2/c1-28(2,35)14-17-3-7-23(26(30)11-17)22-8-6-19(27(34)33-10-9-21(32)16-33)12-24(22)18-4-5-20(15-31)25(29)13-18/h3-8,11-13,21,35H,9-10,14,16,32H2,1-2H3/t21-/m1/s1
Definition date:	2023-05-29
Last modified:	2024-05-17
Release date:	2024-05-22
Identifier:	4-[5-[(3~{R})-3-azanylpyrrolidin-1-yl]carbonyl-2-[2-fluoranyl-4-(2-methyl-2-oxidanyl-propyl)phenyl]phenyl]-2-fluoranyl-benzenecarbonitrile

A1LVB

A1LVB
Name:	(2~{R},3~{S})-3-[[(2~{S})-2-(4-chlorophenyl)-2-fluoranyl-ethanoyl]amino]-3-[3-(2-cyano-2-methyl-propoxy)-4-methyl-phenyl]-2-methyl-propanoic acid
Formula:	C24 H26 Cl F N2 O4
SMILES:	C[CH]([CH](NC(=O)[CH](F)c1ccc(Cl)cc1)c2ccc(C)c(OCC(C)(C)C#N)c2)C(O)=O
InChi:	InChI=1S/C24H26ClFN2O4/c1-14-5-6-17(11-19(14)32-13-24(3,4)12-27)21(15(2)23(30)31)28-22(29)20(26)16-7-9-18(25)10-8-16/h5-11,15,20-21H,13H2,1-4H3,(H,28,29)(H,30,31)
Definition date:	2023-12-19
Last modified:	2024-05-17
Release date:	2024-05-22
Identifier:	(2~{R},3~{S})-3-[[(2~{S})-2-(4-chlorophenyl)-2-fluoranyl-ethanoyl]amino]-3-[3-(2-cyano-2-methyl-propoxy)-4-methyl-phenyl]-2-methyl-propanoic acid

A1LVC

A1LVC
Name:	(2~{R},3~{S})-3-[[(2~{S})-2-[4-[(3-ethoxypyridin-2-yl)methyl]phenyl]-2-fluoranyl-ethanoyl]amino]-2-methyl-3-(4-methylphenyl)propanoic acid
Formula:	C27 H29 F N2 O4
SMILES:	CCOc1cccnc1Cc2ccc(cc2)[CH](F)C(=O)N[CH]([CH](C)C(O)=O)c3ccc(C)cc3
InChi:	InChI=1S/C27H29FN2O4/c1-4-34-23-6-5-15-29-22(23)16-19-9-13-20(14-10-19)24(28)26(31)30-25(18(3)27(32)33)21-11-7-17(2)8-12-21/h5-15,18,24-25H,4,16H2,1-3H3,(H,30,31)(H,32,33)
Definition date:	2023-12-19
Last modified:	2024-05-17
Release date:	2024-05-22
Identifier:	(2~{R},3~{S})-3-[[(2~{S})-2-[4-[(3-ethoxypyridin-2-yl)methyl]phenyl]-2-fluoranyl-ethanoyl]amino]-2-methyl-3-(4-methylphenyl)propanoic acid

A1LYU

A1LYU
Name:	4-methyl-8-[(S)-oxidanyl(phenyl)methyl]-9-phenyl-furo[2,3-h]chromen-2-one
Formula:	C25 H18 O4
SMILES:	CC1=CC(=O)Oc2c1ccc3oc([CH](O)c4ccccc4)c(c5ccccc5)c23
InChi:	InChI=1S/C25H18O4/c1-15-14-20(26)29-24-18(15)12-13-19-22(24)21(16-8-4-2-5-9-16)25(28-19)23(27)17-10-6-3-7-11-17/h2-14,23,27H,1H3/t23-/m0/s1
Definition date:	2024-03-05
Last modified:	2024-05-17
Release date:	2024-05-22
Identifier:	4-methyl-8-[(~{S})-oxidanyl(phenyl)methyl]-9-phenyl-furo[2,3-h]chromen-2-one

A1LZP

A1LZP
Name:	Trans-Geranyl Bacteriopheophytin B
Formula:	C55 H72 N4 O6
SMILES:	COC(=O)[CH]1C(=O)c2c(C)c3[nH]c2c1c4nc(cc5[nH]c(cc6nc(c3)C(=CC)[CH]6C)c(C(C)=O)c5C)[CH](C)[CH]4CCC(=O)OCC=C(C)CCC[CH](C)CCC=C(C)CCCC(C)C
InChi:	InChI=1S/C55H72N4O6/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3/h13,19,25,27-30,32,34-35,40,51,57,59H,14-18,20-24,26H2,1-12H3/b31-19+,33-25-,39-13+,41-29-,42-27-,43-27-,44-28-,45-28-,46-29-,52-50-/t32-,34?,35?,40?,51-/m1/s1
Definition date:	2024-03-27
Last modified:	2024-05-17
Release date:	2024-05-22

A1LZQ

A1LZQ
Name:	Trans-Geranyl 8-vinyl-bacteriochlorophyll B
Formula:	C55 H70 Mg N4 O6
SMILES:	COC(=O)[CH]1C(=O)C2=C(C)C3=CC4=NC(=Cc5n6[Mg][N]3C2=C1C7=NC(=Cc6c(C)c5C(C)=O)[CH](C)[CH]7CCC(=O)OCC=C(C)CCCC(C)CCC=C(C)CCCC(C)C)[CH](C)[CH]4C=C
InChi:	InChI=1S/C55H71N4O6.Mg/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3
Definition date:	2024-03-27
Last modified:	2024-05-17
Release date:	2024-05-22

A1LZU

A1LZU
Name:	[2,6-di(propan-2-yl)phenoxy]methyl dihydrogen phosphate
Formula:	C13 H21 O5 P
SMILES:	CC(C)c1cccc(C(C)C)c1OCO[P](O)(O)=O
InChi:	InChI=1S/C13H21O5P/c1-9(2)11-6-5-7-12(10(3)4)13(11)17-8-18-19(14,15)16/h5-7,9-10H,8H2,1-4H3,(H2,14,15,16)
Definition date:	2024-03-29
Last modified:	2024-05-17
Release date:	2024-05-22
Identifier:	[2,6-di(propan-2-yl)phenoxy]methyl dihydrogen phosphate

UV6

UV6
Name:	~{N}-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-2-[[(2~{R},4~{R})-4-methyl-2-oxidanyl-3,4-dihydro-2~{H}-chromen-7-yl]oxy]-4,5-bis(oxidanyl)oxan-3-yl]ethanamide
Formula:	C18 H25 N O8
SMILES:	C[CH]1C[CH](O)Oc2cc(O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3NC(C)=O)ccc12
InChi:	InChI=1S/C18H25NO8/c1-8-5-14(22)26-12-6-10(3-4-11(8)12)25-18-15(19-9(2)21)17(24)16(23)13(7-20)27-18/h3-4,6,8,13-18,20,22-24H,5,7H2,1-2H3,(H,19,21)/t8-,13-,14-,15-,16-,17-,18-/m1/s1
Definition date:	2023-06-22
Last modified:	2024-05-17
Release date:	2024-05-22
Identifier:	~{N}-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-2-[[(2~{R},4~{R})-4-methyl-2-oxidanyl-3,4-dihydro-2~{H}-chromen-7-yl]oxy]-4,5-bis(oxidanyl)oxan-3-yl]ethanamide

UW0

UW0
Name:	[(1~{S})-4-oxidanylidene-4-[oxidanyl(3-phenylpropyl)amino]-1-phenyl-butyl]phosphonic acid
Formula:	C19 H24 N O5 P
SMILES:	ON(CCCc1ccccc1)C(=O)CC[CH](c2ccccc2)[P](O)(O)=O
InChi:	InChI=1S/C19H24NO5P/c21-19(20(22)15-7-10-16-8-3-1-4-9-16)14-13-18(26(23,24)25)17-11-5-2-6-12-17/h1-6,8-9,11-12,18,22H,7,10,13-15H2,(H2,23,24,25)/t18-/m0/s1
Definition date:	2023-06-23
Last modified:	2024-05-17
Release date:	2024-05-22
Identifier:	[(1~{S})-4-oxidanylidene-4-[oxidanyl(3-phenylpropyl)amino]-1-phenyl-butyl]phosphonic acid

30Y

30Y
Name:	(2R)-3-[(2-chlorophenyl)amino]-2-cyano-3-thioxo-N-[3-(trifluoromethyl)phenyl]propanamide
Formula:	C17 H11 Cl F3 N3 O S
SMILES:	Clc2ccccc2NC(=S)C(C#N)C(=O)Nc1cc(ccc1)C(F)(F)F
InChi:	InChI=1S/C17H11ClF3N3OS/c18-13-6-1-2-7-14(13)24-16(26)12(9-22)15(25)23-11-5-3-4-10(8-11)17(19,20)21/h1-8,12H,(H,23,25)(H,24,26)/t12-/m1/s1
Definition date:	2014-05-16
Last modified:	2024-05-17
Release date:	2024-05-22
Identifier:	(2R)-3-[(2-chlorophenyl)amino]-2-cyano-3-thioxo-N-[3-(trifluoromethyl)phenyl]propanamide

WF0

WF0
Name:	2-[[5-bromanyl-2-[[4-fluoranyl-3-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]ethanol
Formula:	C17 H16 Br F4 N O2
SMILES:	OCCNCc1cc(Br)ccc1OCc2ccc(F)c(c2)C(F)(F)F
InChi:	InChI=1S/C17H16BrF4NO2/c18-13-2-4-16(12(8-13)9-23-5-6-24)25-10-11-1-3-15(19)14(7-11)17(20,21)22/h1-4,7-8,23-24H,5-6,9-10H2
Definition date:	2023-05-12
Last modified:	2024-05-17
Release date:	2024-05-22
Identifier:	2-[[5-bromanyl-2-[[4-fluoranyl-3-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]ethanol

WFT

WFT
Name:	3-azanyl-N-[(2S)-6-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methyl-thieno[2,3-b]pyridine-2-carboxamide
Formula:	C25 H29 N5 O S
SMILES:	Cc1ccc2c(N)c(sc2n1)C(=O)N[CH]3CCc4cc(ccc4C3)N5C[CH]6CC[CH](C5)N6
InChi:	InChI=1S/C25H29N5OS/c1-14-2-9-21-22(26)23(32-25(21)27-14)24(31)29-17-5-3-16-11-20(8-4-15(16)10-17)30-12-18-6-7-19(13-30)28-18/h2,4,8-9,11,17-19,28H,3,5-7,10,12-13,26H2,1H3,(H,29,31)/t17-,18-,19+/m0/s1
Definition date:	2023-05-12
Last modified:	2024-05-17
Release date:	2024-05-22
Identifier:	3-azanyl-~{N}-[(2~{S})-6-[(1~{S},5~{R})-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methyl-thieno[2,3-b]pyridine-2-carboxamide

A1H17

A1H17
Name:	5-[[3,4-bis(chloranyl)-1~{H}-indol-7-yl]sulfamoyl]-~{N},~{N},3-trimethyl-furan-2-carboxamide;ethane
Formula:	C16 H15 Cl2 N3 O4 S
SMILES:	CN(C)C(=O)c1oc(cc1C)[S](=O)(=O)Nc2ccc(Cl)c3c(Cl)c[nH]c23
InChi:	InChI=1S/C16H15Cl2N3O4S/c1-8-6-12(25-15(8)16(22)21(2)3)26(23,24)20-11-5-4-9(17)13-10(18)7-19-14(11)13/h4-7,19-20H,1-3H3
Definition date:	2024-01-15
Last modified:	2024-05-14
Release date:	2024-04-03
Identifier:	5-[[3,4-bis(chloranyl)-1~{H}-indol-7-yl]sulfamoyl]-~{N},~{N},3-trimethyl-furan-2-carboxamide

VAI

VAI
Name:	(2S)-2-amino-3-methylbutane-1,1-diol
Formula:	C5 H13 N O2
SMILES:	OC(O)C(N)C(C)C
InChi:	InChI=1S/C5H13NO2/c1-3(2)4(6)5(7)8/h3-5,7-8H,6H2,1-2H3/t4-/m0/s1
Definition date:	2011-02-01
Last modified:	2024-05-14
Identifier:	(2S)-2-amino-3-methylbutane-1,1-diol

WGH

WGH
Name:	[3,5-bis(iodanyl)-4-oxidanyl-phenyl]-(2-ethyl-4-iodanyl-1-benzofuran-3-yl)methanone
Formula:	C17 H11 I3 O3
SMILES:	CCc1oc2cccc(I)c2c1C(=O)c3cc(I)c(O)c(I)c3
InChi:	InChI=1S/C17H11I3O3/c1-2-12-15(14-9(18)4-3-5-13(14)23-12)16(21)8-6-10(19)17(22)11(20)7-8/h3-7,22H,2H2,1H3
Definition date:	2023-10-03
Last modified:	2024-05-10
Release date:	2024-05-15
Identifier:	[3,5-bis(iodanyl)-4-oxidanyl-phenyl]-(2-ethyl-4-iodanyl-1-benzofuran-3-yl)methanone

WGJ

WGJ
Name:	[4,7-bis(chloranyl)-2-ethyl-1-benzofuran-3-yl]-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]methanone
Formula:	C17 H10 Cl2 I2 O3
SMILES:	CCc1oc2c(Cl)ccc(Cl)c2c1C(=O)c3cc(I)c(O)c(I)c3
InChi:	InChI=1S/C17H10Cl2I2O3/c1-2-12-14(13-8(18)3-4-9(19)17(13)24-12)15(22)7-5-10(20)16(23)11(21)6-7/h3-6,23H,2H2,1H3
Definition date:	2023-10-03
Last modified:	2024-05-10
Release date:	2024-05-15
Identifier:	[4,7-bis(chloranyl)-2-ethyl-1-benzofuran-3-yl]-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]methanone

WH0

WH0
Name:	[3,5-bis(iodanyl)-4-oxidanyl-phenyl]-[2-ethyl-4,7-bis(fluoranyl)-1-benzofuran-3-yl]methanone
Formula:	C17 H10 F2 I2 O3
SMILES:	CCc1oc2c(F)ccc(F)c2c1C(=O)c3cc(I)c(O)c(I)c3
InChi:	InChI=1S/C17H10F2I2O3/c1-2-12-14(13-8(18)3-4-9(19)17(13)24-12)15(22)7-5-10(20)16(23)11(21)6-7/h3-6,23H,2H2,1H3
Definition date:	2023-10-03
Last modified:	2024-05-10
Release date:	2024-05-15
Identifier:	[3,5-bis(iodanyl)-4-oxidanyl-phenyl]-[2-ethyl-4,7-bis(fluoranyl)-1-benzofuran-3-yl]methanone

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