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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

WYH

WYH
Name:	2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole
Formula:	C11 H12 N2
SMILES:	C1Cc2c(CN1)[nH]c3ccccc23
InChi:	InChI=1S/C11H12N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-4,12-13H,5-7H2
Definition date:	2022-07-05
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole

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

W0U

W0U
Name:	[(2~{S},4~{S},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-2-yl]methoxy-~{N}-[(2~{S},3~{S})-2-azanyl-3-oxidanyl-butanoyl]phosphonamidic acid
Formula:	C14 H22 N7 O7 P
SMILES:	C[CH](O)[CH](N)C(=O)N[P](O)(=O)OC[CH]1C[CH](O)[CH](O1)n2cnc3c(N)ncnc23
InChi:	InChI=1S/C14H22N7O7P/c1-6(22)9(15)13(24)20-29(25,26)27-3-7-2-8(23)14(28-7)21-5-19-10-11(16)17-4-18-12(10)21/h4-9,14,22-23H,2-3,15H2,1H3,(H2,16,17,18)(H2,20,24,25,26)/t6-,7-,8-,9-,14+/m0/s1
Definition date:	2023-04-24
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	[(2~{S},4~{S},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-2-yl]methoxy-~{N}-[(2~{S},3~{S})-2-azanyl-3-oxidanyl-butanoyl]phosphonamidic acid

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

XY6

XY6
Name:	2,3-di-O-sulfo-beta-D-xylopyranose
Formula:	C5 H10 O11 S2
SMILES:	OC1OCC(O)C(OS(=O)(=O)O)C1OS(=O)(=O)O
InChi:	InChI=1S/C5H10O11S2/c6-2-1-14-5(7)4(16-18(11,12)13)3(2)15-17(8,9)10/h2-7H,1H2,(H,8,9,10)(H,11,12,13)/t2-,3+,4-,5-/m1/s1
Definition date:	2022-08-09
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	2,3-di-O-sulfo-beta-D-xylopyranose

YGI

YGI
Name:	{[(4S)-8,9-dimethylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetic acid
Formula:	C11 H10 N4 O2 S2
SMILES:	O=C(O)CSc1nnc2n1cnc1sc(C)c(C)c21
InChi:	InChI=1S/C11H10N4O2S2/c1-5-6(2)19-10-8(5)9-13-14-11(15(9)4-12-10)18-3-7(16)17/h4H,3H2,1-2H3,(H,16,17)
Definition date:	2023-06-14
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	{[(4S)-8,9-dimethylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetic acid

YW6

YW6
Name:	2-(furan-3-yl)ethanoic acid
Formula:	C6 H6 O3
SMILES:	OC(=O)Cc1cocc1
InChi:	InChI=1S/C6H6O3/c7-6(8)3-5-1-2-9-4-5/h1-2,4H,3H2,(H,7,8)
Definition date:	2023-06-21
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	2-(furan-3-yl)ethanoic acid

W2L

W2L
Name:	(4~{S},6~{S})-4,6-dimethyloctanoic acid
Formula:	C10 H20 O2
SMILES:	CC[CH](C)C[CH](C)CCC(O)=O
InChi:	InChI=1S/C10H20O2/c1-4-8(2)7-9(3)5-6-10(11)12/h8-9H,4-7H2,1-3H3,(H,11,12)/t8-,9-/m0/s1
Definition date:	2022-07-05
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	(4~{S},6~{S})-4,6-dimethyloctanoic acid

YWX

YWX
Name:	2-{3-[(Z)-iminomethyl]-1H-1,2,4-triazol-1-yl}-1-{(3M)-3-[2-(trifluoromethyl)phenyl]-6H-pyrrolo[3,4-b]pyridin-6-yl}ethan-1-one
Formula:	C19 H13 F3 N6 O
SMILES:	O=C(Cn1cnc(C=N)n1)n1cc2cc(cnc2c1)c1ccccc1C(F)(F)F
InChi:	InChI=1S/C19H13F3N6O/c20-19(21,22)15-4-2-1-3-14(15)12-5-13-8-27(9-16(13)24-7-12)18(29)10-28-11-25-17(6-23)26-28/h1-9,11,23H,10H2/b23-6-
Synonyms:	inhibitor CT1, bound form
Definition date:	2023-03-02
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	2-{3-[(Z)-iminomethyl]-1H-1,2,4-triazol-1-yl}-1-{(3M)-3-[2-(trifluoromethyl)phenyl]-6H-pyrrolo[3,4-b]pyridin-6-yl}ethan-1-one

YX2

YX2
Name:	3-propanamido-1-benzofuran-2-carboxamide
Formula:	C12 H12 N2 O3
SMILES:	CCC(=O)Nc1c2ccccc2oc1C(N)=O
InChi:	InChI=1S/C12H12N2O3/c1-2-9(15)14-10-7-5-3-4-6-8(7)17-11(10)12(13)16/h3-6H,2H2,1H3,(H2,13,16)(H,14,15)
Definition date:	2023-06-22
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	3-propanamido-1-benzofuran-2-carboxamide

YX6

YX6
Name:	N-[(3R)-6-oxopiperidin-3-yl]-1,3-thiazole-4-carboxamide
Formula:	C9 H11 N3 O2 S
SMILES:	O=C(NC1CCC(=O)NC1)c1cscn1
InChi:	InChI=1S/C9H11N3O2S/c13-8-2-1-6(3-10-8)12-9(14)7-4-15-5-11-7/h4-6H,1-3H2,(H,10,13)(H,12,14)/t6-/m1/s1
Definition date:	2023-06-22
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	N-[(3R)-6-oxopiperidin-3-yl]-1,3-thiazole-4-carboxamide

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