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DLY

DLY
Name:	D-LYSINE
Formula:	C6 H14 N2 O2
SMILES:	O=C(O)C(N)CCCCN
InChi:	InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	D-lysine

DPR

DPR
Name:	D-PROLINE
Formula:	C5 H9 N O2
SMILES:	O=C(O)C1NCCC1
InChi:	InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	D-proline

GLX

GLX
Name:	GLU/GLN AMBIGUOUS
Formula:	C5 H8 N O2 X2
SMILES:	C(CC[CH](N)C(O)=O)(=[F,Cl,Br,I])[F,Cl,Br,I]
InChi:	InChI=C(CCC(N)C=O)([X])[X]
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	(2S)-2-amino-5-methylhexanal

1WI

1WI
Name:	1-[[4-fluoranyl-3-(3-oxidanylidene-4-pentan-3-yl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione
Formula:	C25 H27 F N4 O4
SMILES:	CCC(CC)N1CCN(CC1=O)C(=O)c2cc(CN3C(=O)NC(=O)c4ccccc34)ccc2F
InChi:	InChI=1S/C25H27FN4O4/c1-3-17(4-2)29-12-11-28(15-22(29)31)24(33)19-13-16(9-10-20(19)26)14-30-21-8-6-5-7-18(21)23(32)27-25(30)34/h5-10,13,17H,3-4,11-12,14-15H2,1-2H3,(H,27,32,34)
Definition date:	2022-11-14
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	1-[[4-fluoranyl-3-(3-oxidanylidene-4-pentan-3-yl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione

H3I

H3I
Name:	(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(7~{H}-purin-6-ylcarbamoyl)amino]-2-azanyl-butanoic acid
Formula:	C20 H24 N12 O6
SMILES:	N[CH](CCN(C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(=O)Nc4ncnc5nc[nH]c45)C(O)=O
InChi:	InChI=1S/C20H24N12O6/c21-8(19(35)36)1-2-31(20(37)30-16-11-15(25-4-23-11)26-6-27-16)3-9-12(33)13(34)18(38-9)32-7-29-10-14(22)24-5-28-17(10)32/h4-9,12-13,18,33-34H,1-3,21H2,(H,35,36)(H2,22,24,28)(H2,23,25,26,27,30,37)/t8-,9+,12-,13?,18+/m0/s1
Definition date:	2023-07-21
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(7~{H}-purin-6-ylcarbamoyl)amino]-2-azanyl-butanoic acid

H9D

H9D
Name:	(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[2-[[9-[(2~{R},3~{R},4~{S},5~{S})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]ethylamino]methyl]oxolane-3,4-diol
Formula:	C22 H29 N11 O7
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CNCCNc4ncnc5n(cnc45)[CH]6O[CH](CO)[CH](O)[CH]6O)[CH](O)[CH]3O
InChi:	InChI=1S/C22H29N11O7/c23-17-11-19(28-5-26-17)32(7-30-11)21-15(37)13(35)9(39-21)3-24-1-2-25-18-12-20(29-6-27-18)33(8-31-12)22-16(38)14(36)10(4-34)40-22/h5-10,13-16,21-22,24,34-38H,1-4H2,(H2,23,26,28)(H,25,27,29)
Definition date:	2023-07-21
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[2-[[9-[(2~{R},3~{R},4~{S},5~{S})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]ethylamino]methyl]oxolane-3,4-diol

HIS

HIS
Name:	HISTIDINE
Formula:	C6 H10 N3 O2
SMILES:	O=C(O)C(N)Cc1cnc[nH+]1
InChi:	InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1/t5-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	3-(1H-imidazol-3-ium-4-yl)-L-alanine

ILE

ILE
Name:	ISOLEUCINE
Formula:	C6 H13 N O2
SMILES:	O=C(O)C(N)C(C)CC
InChi:	InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	L-isoleucine

IO6

IO6
Name:	1,1,3-tris(oxidanylidene)-2-pentyl-1,2-benzothiazole-6-sulfonamide
Formula:	C12 H16 N2 O5 S2
SMILES:	CCCCCN1C(=O)c2ccc(cc2[S]1(=O)=O)[S](N)(=O)=O
InChi:	InChI=1S/C12H16N2O5S2/c1-2-3-4-7-14-12(15)10-6-5-9(20(13,16)17)8-11(10)21(14,18)19/h5-6,8H,2-4,7H2,1H3,(H2,13,16,17)
Definition date:	2023-08-02
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	1,1,3-tris(oxidanylidene)-2-pentyl-1,2-benzothiazole-6-sulfonamide

IQ2

IQ2
Name:	2-but-2-ynyl-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-sulfonamide
Formula:	C11 H10 N2 O5 S2
SMILES:	CC#CCN1C(=O)c2ccc(cc2[S]1(=O)=O)[S](N)(=O)=O
InChi:	InChI=1S/C11H10N2O5S2/c1-2-3-6-13-11(14)9-5-4-8(19(12,15)16)7-10(9)20(13,17)18/h4-5,7H,6H2,1H3,(H2,12,15,16)
Definition date:	2023-08-02
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-but-2-ynyl-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-sulfonamide

IQE

IQE
Name:	1,1,3-tris(oxidanylidene)-2-(2-phenylethyl)-1,2-benzothiazole-6-sulfonamide
Formula:	C15 H14 N2 O5 S2
SMILES:	N[S](=O)(=O)c1ccc2C(=O)N(CCc3ccccc3)[S](=O)(=O)c2c1
InChi:	InChI=1S/C15H14N2O5S2/c16-23(19,20)12-6-7-13-14(10-12)24(21,22)17(15(13)18)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,16,19,20)
Definition date:	2023-08-02
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	1,1,3-tris(oxidanylidene)-2-(2-phenylethyl)-1,2-benzothiazole-6-sulfonamide

KFU

KFU
Name:	(3S)-5-chloro-N-(isoquinolin-4-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
Formula:	C18 H13 Cl N2 O2
SMILES:	Clc1cc2c(cc1)OCC2C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C18H13ClN2O2/c19-12-5-6-17-14(7-12)15(10-23-17)18(22)21-16-9-20-8-11-3-1-2-4-13(11)16/h1-9,15H,10H2,(H,21,22)/t15-/m1/s1
Definition date:	2023-08-11
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(3S)-5-chloro-N-(isoquinolin-4-yl)-2,3-dihydro-1-benzofuran-3-carboxamide

KG9

KG9
Name:	(4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Formula:	C24 H21 Cl N4 O3 S
SMILES:	N#CC1(CC1)CS(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C24H21ClN4O3S/c25-18-6-5-17-12-29(33(31,32)15-24(14-26)7-8-24)13-21(20(17)9-18)23(30)28-22-11-27-10-16-3-1-2-4-19(16)22/h1-6,9-11,21H,7-8,12-13,15H2,(H,28,30)/t21-/m1/s1
Definition date:	2023-08-11
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

KJI

KJI
Name:	N-(4-methylpyridin-3-yl)-N~2~-(quinolin-4-yl)glycinamide
Formula:	C17 H16 N4 O
SMILES:	O=C(Nc1cnccc1C)CNc1ccnc2ccccc21
InChi:	InChI=1S/C17H16N4O/c1-12-6-8-18-10-16(12)21-17(22)11-20-15-7-9-19-14-5-3-2-4-13(14)15/h2-10H,11H2,1H3,(H,19,20)(H,21,22)
Definition date:	2023-08-14
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-(4-methylpyridin-3-yl)-N~2~-(quinolin-4-yl)glycinamide

KJO

KJO
Name:	N-phenyl-2-(pyridin-3-yl)prop-2-enamide
Formula:	C14 H12 N2 O
SMILES:	O=C(Nc1ccccc1)C(=C)c1cccnc1
InChi:	InChI=1S/C14H12N2O/c1-11(12-6-5-9-15-10-12)14(17)16-13-7-3-2-4-8-13/h2-10H,1H2,(H,16,17)
Definition date:	2023-08-14
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-phenyl-2-(pyridin-3-yl)prop-2-enamide

KL6

KL6
Name:	1-{2-[(methanesulfonyl)amino]ethyl}-1,2,3,4-tetrahydroquinoline-7-sulfonamide
Formula:	C12 H19 N3 O4 S2
SMILES:	NS(=O)(=O)c1ccc2CCCN(CCNS(C)(=O)=O)c2c1
InChi:	InChI=1S/C12H19N3O4S2/c1-20(16,17)14-6-8-15-7-2-3-10-4-5-11(9-12(10)15)21(13,18)19/h4-5,9,14H,2-3,6-8H2,1H3,(H2,13,18,19)
Definition date:	2023-08-14
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	1-{2-[(methanesulfonyl)amino]ethyl}-1,2,3,4-tetrahydroquinoline-7-sulfonamide

KLR

KLR
Name:	(2S)-N-tert-butyl-2-[4-(2-cyanoethyl)anilino]-2-(pyridin-3-yl)acetamide
Formula:	C20 H24 N4 O
SMILES:	CC(C)(C)NC(=O)C(Nc1ccc(CCC#N)cc1)c1cccnc1
InChi:	InChI=1S/C20H24N4O/c1-20(2,3)24-19(25)18(16-7-5-13-22-14-16)23-17-10-8-15(9-11-17)6-4-12-21/h5,7-11,13-14,18,23H,4,6H2,1-3H3,(H,24,25)/t18-/m0/s1
Definition date:	2023-08-14
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2S)-N-tert-butyl-2-[4-(2-cyanoethyl)anilino]-2-(pyridin-3-yl)acetamide

KO9

KO9
Name:	N-(5-cyanopyridin-3-yl)-2-(pyridin-3-yl)acetamide
Formula:	C13 H10 N4 O
SMILES:	O=C(Nc1cc(cnc1)C#N)Cc1cccnc1
InChi:	InChI=1S/C13H10N4O/c14-6-11-4-12(9-16-8-11)17-13(18)5-10-2-1-3-15-7-10/h1-4,7-9H,5H2,(H,17,18)
Definition date:	2023-08-14
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-(5-cyanopyridin-3-yl)-2-(pyridin-3-yl)acetamide

KOI

KOI
Name:	2-(3-chlorophenyl)-N-(pyridin-3-yl)acetamide
Formula:	C13 H11 Cl N2 O
SMILES:	O=C(Nc1cccnc1)Cc1cccc(Cl)c1
InChi:	InChI=1S/C13H11ClN2O/c14-11-4-1-3-10(7-11)8-13(17)16-12-5-2-6-15-9-12/h1-7,9H,8H2,(H,16,17)
Definition date:	2023-08-14
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3-chlorophenyl)-N-(pyridin-3-yl)acetamide

KP0

KP0
Name:	N-(3-chlorophenyl)-N-(2-cyclohexylethyl)-N'-(pyridin-3-yl)urea
Formula:	C20 H24 Cl N3 O
SMILES:	O=C(Nc1cccnc1)N(CCC1CCCCC1)c1cccc(Cl)c1
InChi:	InChI=1S/C20H24ClN3O/c21-17-8-4-10-19(14-17)24(13-11-16-6-2-1-3-7-16)20(25)23-18-9-5-12-22-15-18/h4-5,8-10,12,14-16H,1-3,6-7,11,13H2,(H,23,25)
Definition date:	2023-08-14
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-(3-chlorophenyl)-N-(2-cyclohexylethyl)-N'-(pyridin-3-yl)urea

KQ3

KQ3
Name:	N-(3-chlorophenyl)-N-[2-(morpholin-4-yl)ethyl]-N'-(pyridin-3-yl)urea
Formula:	C18 H21 Cl N4 O2
SMILES:	Clc1cccc(c1)N(CCN1CCOCC1)C(=O)Nc1cccnc1
InChi:	InChI=1S/C18H21ClN4O2/c19-15-3-1-5-17(13-15)23(8-7-22-9-11-25-12-10-22)18(24)21-16-4-2-6-20-14-16/h1-6,13-14H,7-12H2,(H,21,24)
Definition date:	2023-08-14
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-(3-chlorophenyl)-N-[2-(morpholin-4-yl)ethyl]-N'-(pyridin-3-yl)urea

KQL

KQL
Name:	N-(4-methylpyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
Formula:	C15 H13 F3 N2 O
SMILES:	O=C(Nc1cnccc1C)Cc1cccc(c1)C(F)(F)F
InChi:	InChI=1S/C15H13F3N2O/c1-10-5-6-19-9-13(10)20-14(21)8-11-3-2-4-12(7-11)15(16,17)18/h2-7,9H,8H2,1H3,(H,20,21)
Definition date:	2023-08-14
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-(4-methylpyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide

KQX

KQX
Name:	2-(4-methylphenyl)-N-(4-methylpyridin-3-yl)acetamide
Formula:	C15 H16 N2 O
SMILES:	O=C(Nc1cnccc1C)Cc1ccc(C)cc1
InChi:	InChI=1S/C15H16N2O/c1-11-3-5-13(6-4-11)9-15(18)17-14-10-16-8-7-12(14)2/h3-8,10H,9H2,1-2H3,(H,17,18)
Definition date:	2023-08-14
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(4-methylphenyl)-N-(4-methylpyridin-3-yl)acetamide

KSX

KSX
Name:	2-(5-cyanopyridin-3-yl)-N-(4-methylpyridin-3-yl)acetamide
Formula:	C14 H12 N4 O
SMILES:	O=C(Nc1cnccc1C)Cc1cc(C#N)cnc1
InChi:	InChI=1S/C14H12N4O/c1-10-2-3-16-9-13(10)18-14(19)5-11-4-12(6-15)8-17-7-11/h2-4,7-9H,5H2,1H3,(H,18,19)
Definition date:	2023-08-14
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(5-cyanopyridin-3-yl)-N-(4-methylpyridin-3-yl)acetamide

KT9

KT9
Name:	N-(3-methyl-5-{[(2S)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide
Formula:	C16 H16 N4 O3
SMILES:	Cc1cc(cc(OC2CC(=O)N2)c1)NC(=O)Cc1cncnc1
InChi:	InChI=1S/C16H16N4O3/c1-10-2-12(5-13(3-10)23-16-6-15(22)20-16)19-14(21)4-11-7-17-9-18-8-11/h2-3,5,7-9,16H,4,6H2,1H3,(H,19,21)(H,20,22)/t16-/m0/s1
Definition date:	2023-08-14
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-(3-methyl-5-{[(2S)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide

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