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XQ3

XQ3
Name:	N-[(2S)-1-{4-[N-(2,4-dichlorobenzene-1-sulfonyl)-L-seryl]piperazin-1-yl}-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide
Formula:	C28 H32 Cl2 N4 O6 S2
SMILES:	Clc1ccc(c(Cl)c1)S(=O)(=O)NC(CO)C(=O)N1CCN(CC1)C(=O)C(CC(C)C)NC(=O)c1cc2ccccc2s1
InChi:	InChI=1S/C28H32Cl2N4O6S2/c1-17(2)13-21(31-26(36)24-14-18-5-3-4-6-23(18)41-24)27(37)33-9-11-34(12-10-33)28(38)22(16-35)32-42(39,40)25-8-7-19(29)15-20(25)30/h3-8,14-15,17,21-22,32,35H,9-13,16H2,1-2H3,(H,31,36)/t21-,22-/m0/s1
Synonyms:	GSK1016790A
Definition date:	2022-12-05
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	N-[(2S)-1-{4-[N-(2,4-dichlorobenzene-1-sulfonyl)-L-seryl]piperazin-1-yl}-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide

ZA9

ZA9
Name:	4-[(3S)-piperidin-3-yl]-1H-indole
Formula:	C13 H16 N2
SMILES:	c1c[NH]c2cccc(c12)C1CCCNC1
InChi:	InChI=1S/C13H16N2/c1-4-11(10-3-2-7-14-9-10)12-6-8-15-13(12)5-1/h1,4-6,8,10,14-15H,2-3,7,9H2/t10-/m1/s1
Definition date:	2023-06-23
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	4-[(3S)-piperidin-3-yl]-1H-indole

ZT7

ZT7
Name:	1-(5-amino-2H-isoindol-2-yl)ethan-1-one
Formula:	C10 H10 N2 O
SMILES:	CC(=O)n1cc2ccc(N)cc2c1
InChi:	InChI=1S/C10H10N2O/c1-7(13)12-5-8-2-3-10(11)4-9(8)6-12/h2-6H,11H2,1H3
Definition date:	2023-07-03
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	1-(5-amino-2H-isoindol-2-yl)ethan-1-one

XQU

XQU
Name:	nitrosochloramphenicol
Formula:	C11 H14 Cl2 N2 O4
SMILES:	ONc1ccc(cc1)C(O)C(CO)NC(=O)C(Cl)Cl
InChi:	InChI=1S/C11H14Cl2N2O4/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(15-19)4-2-6/h1-4,8-10,15-17,19H,5H2,(H,14,18)/t8-,9-/m1/s1
Synonyms:	2,2-dichloro-N-{(1R,2R)-1,3-dihydroxy-1-[4-(hydroxyamino)phenyl]propan-2-yl}acetamide
Definition date:	2022-12-05
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	2,2-dichloro-N-{(1R,2R)-1,3-dihydroxy-1-[4-(hydroxyamino)phenyl]propan-2-yl}acetamide

ZBH

ZBH
Name:	(4S)-N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
Formula:	C10 H14 N2 O S
SMILES:	CNC(=O)C1CCCc2sc(C)nc21
InChi:	InChI=1S/C10H14N2OS/c1-6-12-9-7(10(13)11-2)4-3-5-8(9)14-6/h7H,3-5H2,1-2H3,(H,11,13)/t7-/m0/s1
Definition date:	2023-06-23
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	(4S)-N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide

ZC9

ZC9
Name:	(2P)-5-fluoro-2-(1H-pyrazol-5-yl)pyridine
Formula:	C8 H6 F N3
SMILES:	Fc1cnc(cc1)c1ccn[NH]1
InChi:	InChI=1S/C8H6FN3/c9-6-1-2-7(10-5-6)8-3-4-11-12-8/h1-5H,(H,11,12)
Definition date:	2023-06-23
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	(2P)-5-fluoro-2-(1H-pyrazol-5-yl)pyridine

ZCI

ZCI
Name:	2-bromo-1H-imidazole
Formula:	C3 H3 Br N2
SMILES:	Brc1ncc[NH]1
InChi:	InChI=1S/C3H3BrN2/c4-3-5-1-2-6-3/h1-2H,(H,5,6)
Definition date:	2023-06-23
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	2-bromo-1H-imidazole

ZDL

ZDL
Name:	1,3-dimethylimidazolidine
Formula:	C5 H12 N2
SMILES:	CN1CCN(C)C1
InChi:	InChI=1S/C5H12N2/c1-6-3-4-7(2)5-6/h3-5H2,1-2H3
Definition date:	2023-06-23
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	1,3-dimethylimidazolidine

ZE9

ZE9
Name:	1-[(3R,5R)-5-(furan-2-yl)-3-(5-methylfuran-2-yl)pyrazolidin-1-yl]ethan-1-one
Formula:	C14 H16 N2 O3
SMILES:	CC(=O)N1NC(CC1c1ccco1)c1ccc(C)o1
InChi:	InChI=1S/C14H16N2O3/c1-9-5-6-13(19-9)11-8-12(14-4-3-7-18-14)16(15-11)10(2)17/h3-7,11-12,15H,8H2,1-2H3/t11-,12-/m1/s1
Definition date:	2023-06-23
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	1-[(3R,5R)-5-(furan-2-yl)-3-(5-methylfuran-2-yl)pyrazolidin-1-yl]ethan-1-one

ZEK

ZEK
Name:	3-acetamido-N-methylbenzamide
Formula:	C10 H12 N2 O2
SMILES:	O=C(C)Nc1cc(ccc1)C(=O)NC
InChi:	InChI=1S/C10H12N2O2/c1-7(13)12-9-5-3-4-8(6-9)10(14)11-2/h3-6H,1-2H3,(H,11,14)(H,12,13)
Definition date:	2023-06-23
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	3-acetamido-N-methylbenzamide

ZFI

ZFI
Name:	N-[2-(methanesulfonyl)phenyl]acetamide
Formula:	C9 H11 N O3 S
SMILES:	O=S(C)(=O)c1ccccc1NC(C)=O
InChi:	InChI=1S/C9H11NO3S/c1-7(11)10-8-5-3-4-6-9(8)14(2,12)13/h3-6H,1-2H3,(H,10,11)
Definition date:	2023-06-23
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	N-[2-(methanesulfonyl)phenyl]acetamide

ZG0

ZG0
Name:	N-(3-methylphenyl)acetamide
Formula:	C9 H11 N O
SMILES:	O=C(C)Nc1cc(C)ccc1
InChi:	InChI=1S/C9H11NO/c1-7-4-3-5-9(6-7)10-8(2)11/h3-6H,1-2H3,(H,10,11)
Definition date:	2023-06-23
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	N-(3-methylphenyl)acetamide

ZG6

ZG6
Name:	N-(3-methyl-1,2-oxazol-5-yl)acetamide
Formula:	C6 H8 N2 O2
SMILES:	O=C(C)Nc1cc(C)no1
InChi:	InChI=1S/C6H8N2O2/c1-4-3-6(10-8-4)7-5(2)9/h3H,1-2H3,(H,7,9)
Definition date:	2023-06-23
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	N-(3-methyl-1,2-oxazol-5-yl)acetamide

ZGF

ZGF
Name:	N-(6-chloro-2H-1,3-benzodioxol-5-yl)acetamide
Formula:	C9 H8 Cl N O3
SMILES:	CC(=O)Nc1cc2OCOc2cc1Cl
InChi:	InChI=1S/C9H8ClNO3/c1-5(12)11-7-3-9-8(2-6(7)10)13-4-14-9/h2-3H,4H2,1H3,(H,11,12)
Definition date:	2023-06-23
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	N-(6-chloro-2H-1,3-benzodioxol-5-yl)acetamide

ZGI

ZGI
Name:	(1R,2S,5S)-N-{(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
Formula:	C33 H46 N6 O5 S
SMILES:	CC(C)(C)NC(=O)NC(C(=O)N1CC2C(C1C(=O)NC(CC1CCNC1=O)C(=O)c1nc3ccccc3s1)C2(C)C)C(C)(C)C
InChi:	InChI=1S/C33H46N6O5S/c1-31(2,3)25(37-30(44)38-32(4,5)6)29(43)39-16-18-22(33(18,7)8)23(39)27(42)35-20(15-17-13-14-34-26(17)41)24(40)28-36-19-11-9-10-12-21(19)45-28/h9-12,17-18,20,22-23,25H,13-16H2,1-8H3,(H,34,41)(H,35,42)(H2,37,38,44)/t17-,18-,20-,22-,23-,25+/m0/s1
Definition date:	2023-03-09
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	(1R,2S,5S)-N-{(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

ZGK

ZGK
Name:	N-(2-methoxyphenyl)acetamide
Formula:	C9 H11 N O2
SMILES:	COc1ccccc1NC(C)=O
InChi:	InChI=1S/C9H11NO2/c1-7(11)10-8-5-3-4-6-9(8)12-2/h3-6H,1-2H3,(H,10,11)
Definition date:	2023-06-23
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	N-(2-methoxyphenyl)acetamide

ZGO

ZGO
Name:	(1R,2S,5S)-N-{(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl}-6,6-dimethyl-3-[3-methyl-N-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
Formula:	C33 H54 N6 O6 S
SMILES:	CC1(C)C2C(C(=O)NC(C#N)CC3CCNC3=O)N(CC21)C(=O)C(NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C
InChi:	InChI=1S/C33H54N6O6S/c1-30(2,3)25(37-29(43)38-33(13-10-9-11-14-33)19-46(44,45)31(4,5)6)28(42)39-18-22-23(32(22,7)8)24(39)27(41)36-21(17-34)16-20-12-15-35-26(20)40/h20-25H,9-16,18-19H2,1-8H3,(H,35,40)(H,36,41)(H2,37,38,43)/t20-,21-,22-,23-,24-,25+/m0/s1
Definition date:	2023-03-09
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	(1R,2S,5S)-N-{(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl}-6,6-dimethyl-3-[3-methyl-N-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide

ZGQ

ZGQ
Name:	N-[(2-methylphenyl)methyl]acetamide
Formula:	C10 H13 N O
SMILES:	CC(=O)NCc1ccccc1C
InChi:	InChI=1S/C10H13NO/c1-8-5-3-4-6-10(8)7-11-9(2)12/h3-6H,7H2,1-2H3,(H,11,12)
Definition date:	2023-06-23
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	N-[(2-methylphenyl)methyl]acetamide

ZGW

ZGW
Name:	Nirmatrelvir
Formula:	C23 H32 F3 N5 O4
SMILES:	CC1(C)C2C(C(=O)NC(C#N)CC3CCNC3=O)N(CC21)C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C
InChi:	InChI=1S/C23H32F3N5O4/c1-21(2,3)16(30-20(35)23(24,25)26)19(34)31-10-13-14(22(13,4)5)15(31)18(33)29-12(9-27)8-11-6-7-28-17(11)32/h11-16H,6-8,10H2,1-5H3,(H,28,32)(H,29,33)(H,30,35)/t11-,12-,13-,14-,15-,16+/m0/s1
Synonyms:	(1R,2S,5S)-N-{(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
Definition date:	2023-03-09
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	(1R,2S,5S)-N-{(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide

ZGX

ZGX
Name:	1-(3,4-dihydropyrazin-1(2H)-yl)ethan-1-one
Formula:	C6 H10 N2 O
SMILES:	CC(=O)N1C=CNCC1
InChi:	InChI=1S/C6H10N2O/c1-6(9)8-4-2-7-3-5-8/h2,4,7H,3,5H2,1H3
Definition date:	2023-06-23
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	1-(3,4-dihydropyrazin-1(2H)-yl)ethan-1-one

ZH0

ZH0
Name:	N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Formula:	C21 H29 N3 O5
SMILES:	CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(CC1CCNC1=O)C=O
InChi:	InChI=1S/C21H29N3O5/c1-14(2)10-18(24-21(28)29-13-15-6-4-3-5-7-15)20(27)23-17(12-25)11-16-8-9-22-19(16)26/h3-7,12,14,16-18H,8-11,13H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)/t16-,17-,18-/m0/s1
Definition date:	2023-03-09
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide

JU3

JU3
Name:	3-[3-(3-methylbut-2-enyl)-2,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one
Formula:	C20 H18 O6
SMILES:	CC(C)=CCc1c(O)ccc(c1O)C2=COc3cc(O)cc(O)c3C2=O
InChi:	InChI=1S/C20H18O6/c1-10(2)3-4-13-15(22)6-5-12(19(13)24)14-9-26-17-8-11(21)7-16(23)18(17)20(14)25/h3,5-9,21-24H,4H2,1-2H3
Synonyms:	Licoisoflavone A
Definition date:	2022-08-27
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	3-[3-(3-methylbut-2-enyl)-2,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one

QGT

QGT
Name:	~{N}-tridecylmethanethioamide
Formula:	C14 H29 N S
SMILES:	CCCCCCCCCCCCCNC=S
InChi:	InChI=1S/C14H29NS/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-14-16/h14H,2-13H2,1H3,(H,15,16)
Synonyms:	Tetradecyl-1-isothiocyanate (reacted form)
Definition date:	2020-06-16
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	~{N}-tridecylmethanethioamide

OU9

OU9
Name:	[(2~{S})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-oxidanyl-propan-2-yl] (~{Z})-octadec-9-enoate
Formula:	C23 H46 N O7 P
SMILES:	CCCCCCCCC=CCCCCCCCC(=O)O[CH](CO)CO[P](O)(=O)OCCN
InChi:	InChI=1S/C23H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)31-22(20-25)21-30-32(27,28)29-19-18-24/h9-10,22,25H,2-8,11-21,24H2,1H3,(H,27,28)/b10-9-/t22-/m0/s1
Definition date:	2022-09-21
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	[(2~{S})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-oxidanyl-propan-2-yl] (~{Z})-octadec-9-enoate

O86

O86
Name:	2-[4-chloranyl-6-[[3-(2-phenylethoxy)phenyl]amino]pyrimidin-2-yl]sulfanylethanoic acid
Formula:	C20 H18 Cl N3 O3 S
SMILES:	OC(=O)CSc1nc(Cl)cc(Nc2cccc(OCCc3ccccc3)c2)n1
InChi:	InChI=1S/C20H18ClN3O3S/c21-17-12-18(24-20(23-17)28-13-19(25)26)22-15-7-4-8-16(11-15)27-10-9-14-5-2-1-3-6-14/h1-8,11-12H,9-10,13H2,(H,25,26)(H,22,23,24)
Definition date:	2022-08-30
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	2-[4-chloranyl-6-[[3-(2-phenylethoxy)phenyl]amino]pyrimidin-2-yl]sulfanylethanoic acid

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