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MWT

MWT
Name:	1-[2-[5-[4-(4-azanylbutyl)-3-methyl-1,2,3-triazol-3-ium-1-yl]-2-[4-(2-phenylethyl)-1,3-thiazol-2-yl]phenoxy]ethyl]imidazolidin-2-one
Formula:	C29 H36 N7 O2 S
SMILES:	C[n+]1nn(cc1CCCCN)c2ccc(c(OCCN3CCNC3=O)c2)c4scc(CCc5ccccc5)n4
InChi:	InChI=1S/C29H35N7O2S/c1-34-25(9-5-6-14-30)20-36(33-34)24-12-13-26(27(19-24)38-18-17-35-16-15-31-29(35)37)28-32-23(21-39-28)11-10-22-7-3-2-4-8-22/h2-4,7-8,12-13,19-21H,5-6,9-11,14-18,30H2,1H3/p+1
Definition date:	2019-10-28
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	1-[2-[5-[4-(4-azanylbutyl)-3-methyl-1,2,3-triazol-3-ium-1-yl]-2-[4-(2-phenylethyl)-1,3-thiazol-2-yl]phenoxy]ethyl]imidazolidin-2-one

MWW

MWW
Name:	4-[1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]-3-(2-piperidin-4-ylethoxy)phenyl]-1,2,3-triazol-4-yl]butan-1-amine
Formula:	C30 H38 N6 O S
SMILES:	NCCCCc1cn(nn1)c2ccc(c(OCCC3CCNCC3)c2)c4scc(CCc5ccccc5)n4
InChi:	InChI=1S/C30H38N6OS/c31-16-5-4-8-25-21-36(35-34-25)27-11-12-28(29(20-27)37-19-15-24-13-17-32-18-14-24)30-33-26(22-38-30)10-9-23-6-2-1-3-7-23/h1-3,6-7,11-12,20-22,24,32H,4-5,8-10,13-19,31H2
Definition date:	2019-10-28
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	4-[1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]-3-(2-piperidin-4-ylethoxy)phenyl]-1,2,3-triazol-4-yl]butan-1-amine

MWZ

MWZ
Name:	4-[3-methyl-1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]-3-(2-piperidin-4-ylethoxy)phenyl]-1,2,3-triazol-3-ium-4-yl]butan-1-amine
Formula:	C31 H41 N6 O S
SMILES:	C[n+]1nn(cc1CCCCN)c2ccc(c(OCCC3CCNCC3)c2)c4scc(CCc5ccccc5)n4
InChi:	InChI=1S/C31H41N6OS/c1-36-28(9-5-6-17-32)22-37(35-36)27-12-13-29(30(21-27)38-20-16-25-14-18-33-19-15-25)31-34-26(23-39-31)11-10-24-7-3-2-4-8-24/h2-4,7-8,12-13,21-23,25,33H,5-6,9-11,14-20,32H2,1H3/q+1
Definition date:	2019-10-28
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	4-[3-methyl-1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]-3-(2-piperidin-4-ylethoxy)phenyl]-1,2,3-triazol-3-ium-4-yl]butan-1-amine

MXH

MXH
Name:	1-~{tert}-butyl-3-[1-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-[3-fluoranyl-4-(hydroxymethyl)phenyl]phenyl]sulfonylamino ]propanoyl]piperidin-4-yl]urea
Formula:	C33 H41 F N6 O5 S
SMILES:	CC(C)(C)NC(=O)NC1CCN(CC1)C(=O)[CH](Cc2cccc(c2)C(N)=N)N[S](=O)(=O)c3cccc(c3)c4ccc(CO)c(F)c4
InChi:	InChI=1S/C33H41FN6O5S/c1-33(2,3)38-32(43)37-26-12-14-40(15-13-26)31(42)29(17-21-6-4-8-24(16-21)30(35)36)39-46(44,45)27-9-5-7-22(18-27)23-10-11-25(20-41)28(34)19-23/h4-11,16,18-19,26,29,39,41H,12-15,17,20H2,1-3H3,(H3,35,36)(H2,37,38,43)/t29-/m0/s1
Synonyms:	(S)-3-(3-(4-(3-(tert-butyl)ureido)piperidin-1-yl)-2-((3'-fluoro-4'-(hydroxymethyl)-[1,1'-biphenyl])-3-sulfonamido)-3-ox opropyl)benzimidamide
Definition date:	2019-10-29
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	1-~{tert}-butyl-3-[1-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-[3-fluoranyl-4-(hydroxymethyl)phenyl]phenyl]sulfonylamino]propanoyl]piperidin-4-yl]urea

MZE

MZE
Name:	1-~{tert}-butyl-3-[1-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-(3-carbamimidoylphenyl)phenyl]sulfonylamino]propanoyl]piperidin-4-yl]urea
Formula:	C33 H42 N8 O4 S
SMILES:	CC(C)(C)NC(=O)NC1CCN(CC1)C(=O)[CH](Cc2cccc(c2)C(N)=N)N[S](=O)(=O)c3cccc(c3)c4cccc(c4)C(N)=N
InChi:	InChI=1S/C33H42N8O4S/c1-33(2,3)39-32(43)38-26-13-15-41(16-14-26)31(42)28(18-21-7-4-10-24(17-21)29(34)35)40-46(44,45)27-12-6-9-23(20-27)22-8-5-11-25(19-22)30(36)37/h4-12,17,19-20,26,28,40H,13-16,18H2,1-3H3,(H3,34,35)(H3,36,37)(H2,38,39,43)/t28-/m0/s1
Definition date:	2019-10-29
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	1-~{tert}-butyl-3-[1-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-(3-carbamimidoylphenyl)phenyl]sulfonylamino]propanoyl]piperidin-4-yl]urea

NZ8

NZ8
Name:	1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-(5-oxidanylidene-6-pyridin-4-yl-pyrido[2,3-b][1,5]benzoxazepin-9-yl)urea
Formula:	C25 H15 Cl F3 N5 O3
SMILES:	FC(F)(F)c1cc(NC(=O)Nc2ccc3N(C(=O)c4cccnc4Oc3c2)c5ccncc5)ccc1Cl
InChi:	InChI=1S/C25H15ClF3N5O3/c26-19-5-3-14(12-18(19)25(27,28)29)32-24(36)33-15-4-6-20-21(13-15)37-22-17(2-1-9-31-22)23(35)34(20)16-7-10-30-11-8-16/h1-13H,(H2,32,33,36)
Definition date:	2020-01-13
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-(5-oxidanylidene-6-pyridin-4-yl-pyrido[2,3-b][1,5]benzoxazepin-9-yl)urea

O4E

O4E
Name:	3-bromanyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide
Formula:	C10 H12 Br N O S
SMILES:	CN(CCS)C(=O)c1cccc(Br)c1
InChi:	InChI=1S/C10H12BrNOS/c1-12(5-6-14)10(13)8-3-2-4-9(11)7-8/h2-4,7,14H,5-6H2,1H3
Definition date:	2020-01-30
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	3-bromanyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide

O68

O68
Name:	4-fluoranyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide
Formula:	C10 H12 F N O S
SMILES:	CN(CCS)C(=O)c1ccc(F)cc1
InChi:	InChI=1S/C10H12FNOS/c1-12(6-7-14)10(13)8-2-4-9(11)5-3-8/h2-5,14H,6-7H2,1H3
Definition date:	2020-02-11
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	4-fluoranyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide

O85

O85
Name:	3-fluoranyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide
Formula:	C10 H12 F N O S
SMILES:	CN(CCS)C(=O)c1cccc(F)c1
InChi:	InChI=1S/C10H12FNOS/c1-12(5-6-14)10(13)8-3-2-4-9(11)7-8/h2-4,7,14H,5-6H2,1H3
Definition date:	2020-02-19
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	3-fluoranyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide

TKY

TKY
Name:	14-{[(3S)-2-(N-methyl-L-alanyl-3-methyl-L-valyl)-3-{[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-3,6,9,12-tetraoxatetradecan-1-yl (3R)-3-{5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazol-1-yl}piperidine-1-carboxylate
Formula:	C62 H79 F2 N9 O12
SMILES:	C(OCCOCCOCCOCCOCCOc4cc1c(CC(N(C(=O)C(NC(C(C)NC)=O)C(C)(C)C)C1)C(=O)NC3c2c(cccc2)CCC3)cc4)(N8CCCC(n7c(c(C(N)=O)c(c6ccc(Oc5ccc(F)cc5F)cc6)n7)N)C8)=O
InChi:	InChI=1S/C62H79F2N9O12/c1-39(67-5)58(75)69-55(62(2,3)4)60(77)72-37-43-34-47(21-17-42(43)35-51(72)59(76)68-50-14-8-11-40-10-6-7-13-48(40)50)83-32-30-81-28-26-79-24-25-80-27-29-82-31-33-84-61(78)71-23-9-12-45(38-71)73-56(65)53(57(66)74)54(70-73)41-15-19-46(20-16-41)85-52-22-18-44(63)36-49(52)64/h6-7,10,13,15-22,34,36,39,45,50-51,55,67H,8-9,11-12,14,23-33,35,37-38,65H2,1-5H3,(H2,66,74)(H,68,76)(H,69,75)/t39-,45+,50+,51-,55+/m0/s1
Definition date:	2020-03-24
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	14-{[(3S)-2-(N-methyl-L-alanyl-3-methyl-L-valyl)-3-{[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-3,6,9,12-tetraoxatetradecan-1-yl (3R)-3-{5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazol-1-yl}piperidine-1-carboxylate

TL7

TL7
Name:	[5-({[(3S)-2-(N-methyl-L-alanyl-3-methyl-L-valyl)-3-{[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)pyrazin-2-yl]methyl (3R)-3-{5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazol-1-yl}piperidine-1-carboxylate
Formula:	C58 H65 F2 N11 O8
SMILES:	c1cccc2C(CCCc12)NC(C3Cc4c(CN3C(C(C(C)(C)C)NC(C(C)NC)=O)=O)cc(cc4)OCc9cnc(COC(N5CCCC(C5)n6c(c(c(n6)c7ccc(cc7)Oc8ccc(F)cc8F)C(N)=O)N)=O)cn9)=O
InChi:	InChI=1S/C58H65F2N11O8/c1-33(63-5)54(73)67-51(58(2,3)4)56(75)70-29-37-24-43(21-17-36(37)25-47(70)55(74)66-46-14-8-11-34-10-6-7-13-44(34)46)77-31-39-27-65-40(28-64-39)32-78-57(76)69-23-9-12-41(30-69)71-52(61)49(53(62)72)50(68-71)35-15-19-42(20-16-35)79-48-22-18-38(59)26-45(48)60/h6-7,10,13,15-22,24,26-28,33,41,46-47,51,63H,8-9,11-12,14,23,25,29-32,61H2,1-5H3,(H2,62,72)(H,66,74)(H,67,73)/t33-,41+,46+,47-,51+/m0/s1
Definition date:	2020-03-25
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	[5-({[(3S)-2-(N-methyl-L-alanyl-3-methyl-L-valyl)-3-{[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)pyrazin-2-yl]methyl (3R)-3-{5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazol-1-yl}piperidine-1-carboxylate

ULJ

ULJ
Name:	5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(2,5-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
Formula:	C18 H17 Br F N5 O3
SMILES:	COc3ccc(OC)c(NC(=O)c2c(N)n(Cc1c(F)cc(cc1)Br)nn2)c3
InChi:	InChI=1S/C18H17BrFN5O3/c1-27-12-5-6-15(28-2)14(8-12)22-18(26)16-17(21)25(24-23-16)9-10-3-4-11(19)7-13(10)20/h3-8H,9,21H2,1-2H3,(H,22,26)
Definition date:	2020-05-21
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(2,5-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide

V6G

V6G
Name:	3-[(1S,2S)-1-(5-[(4S)-2,2-dimethyloxan-4-yl]-2-{(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1H-indol-1-yl)-2-methylcyclopropyl]-1,2,4-oxadiazol-5(4H)-one
Formula:	C48 H48 F2 N10 O5
SMILES:	c23cc(C1CCOC(C)(C)C1)ccc2n(c(c3)C(N9CCc8c(c(N4C(N(C=C4)c5c(c6c(cc5)n(C)nc6)F)=O)n(c7cc(C)c(c(c7)C)F)n8)C9C)=O)C%11(C=%10NC(=O)ON=%10)CC%11C
InChi:	InChI=1S/C48H48F2N10O5/c1-25-18-32(19-26(2)40(25)49)60-42(58-16-15-57(46(58)63)37-11-10-36-33(41(37)50)24-51-55(36)7)39-28(4)56(14-12-34(39)53-60)43(61)38-21-31-20-29(30-13-17-64-47(5,6)23-30)8-9-35(31)59(38)48(22-27(48)3)44-52-45(62)65-54-44/h8-11,15-16,18-21,24,27-28,30H,12-14,17,22-23H2,1-7H3,(H,52,54,62)/t27-,28-,30-,48-/m0/s1
Definition date:	2020-07-08
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	3-[(1S,2S)-1-(5-[(4S)-2,2-dimethyloxan-4-yl]-2-{(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1H-indol-1-yl)-2-methylcyclopropyl]-1,2,4-oxadiazol-5(4H)-one

VB3

VB3
Name:	2-({[(2S)-1-cyclohexylpropan-2-yl]amino}methyl)phenol
Formula:	C16 H25 N O
SMILES:	CC(NCc1ccccc1O)CC2CCCCC2
InChi:	InChI=1S/C16H25NO/c1-13(11-14-7-3-2-4-8-14)17-12-15-9-5-6-10-16(15)18/h5-6,9-10,13-14,17-18H,2-4,7-8,11-12H2,1H3/t13-/m0/s1
Definition date:	2019-05-17
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	2-({[(2S)-1-cyclohexylpropan-2-yl]amino}methyl)phenol

VFY

VFY
Name:	methyl (4~{R})-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
Formula:	C16 H16 F3 N2 O4
SMILES:	COC(=O)C1=C(C)NC(=C([CH]1c2ccccc2C(F)(F)F)[N+]([OH-])=O)C
InChi:	InChI=1S/C16H16F3N2O4/c1-8-12(15(22)25-3)13(14(21(23)24)9(2)20-8)10-6-4-5-7-11(10)16(17,18)19/h4-7,13,20,23H,1-3H3/t13-/m1/s1
Definition date:	2020-08-10
Last modified:	2020-11-13
Release date:	2020-11-18

VZM

VZM
Name:	N-(6-methoxypyridin-3-yl)-N'-thiophen-2-ylurea
Formula:	C11 H11 N3 O2 S
SMILES:	N(c1cccs1)C(=O)Nc2cnc(cc2)OC
InChi:	InChI=1S/C11H11N3O2S/c1-16-9-5-4-8(7-12-9)13-11(15)14-10-3-2-6-17-10/h2-7H,1H3,(H2,13,14,15)
Definition date:	2020-09-24
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	N-(6-methoxypyridin-3-yl)-N'-thiophen-2-ylurea

VZS

VZS
Name:	N-(2-methoxy-5-methylphenyl)-N'-4H-1,2,4-triazol-4-ylurea
Formula:	C11 H13 N5 O2
SMILES:	N(n1cnnc1)C(=O)Nc2cc(C)ccc2OC
InChi:	InChI=1S/C11H13N5O2/c1-8-3-4-10(18-2)9(5-8)14-11(17)15-16-6-12-13-7-16/h3-7H,1-2H3,(H2,14,15,17)
Definition date:	2020-09-24
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	N-(2-methoxy-5-methylphenyl)-N'-4H-1,2,4-triazol-4-ylurea

WGM

WGM
Name:	(3S)-1-(3-fluoropyridin-2-yl)-4,4-dimethylpyrrolidin-3-ol
Formula:	C11 H15 F N2 O
SMILES:	n1cccc(c1N2CC(O)C(C)(C2)C)F
InChi:	InChI=1S/C11H15FN2O/c1-11(2)7-14(6-9(11)15)10-8(12)4-3-5-13-10/h3-5,9,15H,6-7H2,1-2H3/t9-/m1/s1
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	(3S)-1-(3-fluoropyridin-2-yl)-4,4-dimethylpyrrolidin-3-ol

WGS

WGS
Name:	3-fluoro-N-[(oxan-4-yl)methyl]pyridin-2-amine
Formula:	C11 H15 F N2 O
SMILES:	N(c1c(F)cccn1)CC2CCOCC2
InChi:	InChI=1S/C11H15FN2O/c12-10-2-1-5-13-11(10)14-8-9-3-6-15-7-4-9/h1-2,5,9H,3-4,6-8H2,(H,13,14)
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	3-fluoro-N-[(oxan-4-yl)methyl]pyridin-2-amine

WGV

WGV
Name:	1-(3-phenylprop-2-yn-1-yl)piperidine
Formula:	C14 H17 N
SMILES:	c1ccccc1C#CCN2CCCCC2
InChi:	InChI=1S/C14H17N/c1-3-8-14(9-4-1)10-7-13-15-11-5-2-6-12-15/h1,3-4,8-9H,2,5-6,11-13H2
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	1-(3-phenylprop-2-yn-1-yl)piperidine

WGY

WGY
Name:	N-(4-sulfamoylphenyl)propanamide
Formula:	C9 H12 N2 O3 S
SMILES:	NS(c1ccc(cc1)NC(=O)CC)(=O)=O
InChi:	InChI=1S/C9H12N2O3S/c1-2-9(12)11-7-3-5-8(6-4-7)15(10,13)14/h3-6H,2H2,1H3,(H,11,12)(H2,10,13,14)
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	N-(4-sulfamoylphenyl)propanamide

WH1

WH1
Name:	N-methyl-N-[2-(pyridin-2-yl)ethyl]benzamide
Formula:	C15 H16 N2 O
SMILES:	n1c(cccc1)CCN(C(=O)c2ccccc2)C
InChi:	InChI=1S/C15H16N2O/c1-17(12-10-14-9-5-6-11-16-14)15(18)13-7-3-2-4-8-13/h2-9,11H,10,12H2,1H3
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	N-methyl-N-[2-(pyridin-2-yl)ethyl]benzamide

WH7

WH7
Name:	(2R)-1-{[(2,6-dichlorophenyl)methyl]amino}propan-2-ol
Formula:	C10 H13 Cl2 N O
SMILES:	c1(c(cccc1Cl)Cl)CNCC(C)O
InChi:	InChI=1S/C10H13Cl2NO/c1-7(14)5-13-6-8-9(11)3-2-4-10(8)12/h2-4,7,13-14H,5-6H2,1H3/t7-/m1/s1
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	(2R)-1-{[(2,6-dichlorophenyl)methyl]amino}propan-2-ol

WHD

WHD
Name:	4-({[(4-fluorophenyl)methyl]amino}methyl)benzonitrile
Formula:	C15 H13 F N2
SMILES:	N#Cc2ccc(CNCc1ccc(cc1)F)cc2
InChi:	InChI=1S/C15H13FN2/c16-15-7-5-14(6-8-15)11-18-10-13-3-1-12(9-17)2-4-13/h1-8,18H,10-11H2
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	4-({[(4-fluorophenyl)methyl]amino}methyl)benzonitrile

WHM

WHM
Name:	2-[(3-fluorophenyl)methyl]-1lambda~6~,2-thiazolidine-1,1-dione
Formula:	C10 H12 F N O2 S
SMILES:	c2(CN1CCCS1(=O)=O)cccc(c2)F
InChi:	InChI=1S/C10H12FNO2S/c11-10-4-1-3-9(7-10)8-12-5-2-6-15(12,13)14/h1,3-4,7H,2,5-6,8H2
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	2-[(3-fluorophenyl)methyl]-1lambda~6~,2-thiazolidine-1,1-dione

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