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A1IIB

A1IIB
Name:	methyl 1H-imidazole-5-carboxylate
Formula:	C5 H6 N2 O2
SMILES:	COC(=O)c1[nH]cnc1
InChi:	InChI=1S/C5H6N2O2/c1-9-5(8)4-2-6-3-7-4/h2-3H,1H3,(H,6,7)
Synonyms:	(4-SULFAMOYLPHENYLETHYLTHIOUREIDO)FLUORESCEIN
Definition date:	2024-07-16
Last modified:	2025-07-25
Release date:	2025-07-30
Identifier:	methyl 1~{H}-imidazole-5-carboxylate

A1IIE

A1IIE
Name:	8-[3-chloranyl-4-[(~{E})-phenyldiazenyl]phenoxy]-7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)purine-2,6-dione
Formula:	C28 H24 Cl2 N6 O4
SMILES:	CN1C(=O)N(CCCO)C(=O)c2n(Cc3ccc(Cl)cc3)c(Oc4ccc(N=Nc5ccccc5)c(Cl)c4)nc12
InChi:	InChI=1S/C28H24Cl2N6O4/c1-34-25-24(26(38)35(28(34)39)14-5-15-37)36(17-18-8-10-19(29)11-9-18)27(31-25)40-21-12-13-23(22(30)16-21)33-32-20-6-3-2-4-7-20/h2-4,6-13,16,37H,5,14-15,17H2,1H3/b33-32+
Definition date:	2024-07-17
Last modified:	2025-07-25
Release date:	2025-07-30
Identifier:	8-[3-chloranyl-4-[(~{E})-phenyldiazenyl]phenoxy]-7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)purine-2,6-dione

A1IIF

A1IIF
Name:	8-[3-chloranyl-4-[(~{Z})-phenyldiazenyl]phenoxy]-7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)purine-2,6-dione
Formula:	C28 H24 Cl2 N6 O4
SMILES:	CN1C(=O)N(CCCO)C(=O)c2n(Cc3ccc(Cl)cc3)c(Oc4ccc(N=Nc5ccccc5)c(Cl)c4)nc12
InChi:	InChI=1S/C28H24Cl2N6O4/c1-34-25-24(26(38)35(28(34)39)14-5-15-37)36(17-18-8-10-19(29)11-9-18)27(31-25)40-21-12-13-23(22(30)16-21)33-32-20-6-3-2-4-7-20/h2-4,6-13,16,37H,5,14-15,17H2,1H3/b33-32-
Definition date:	2024-07-17
Last modified:	2025-07-25
Release date:	2025-07-30
Identifier:	8-[3-chloranyl-4-[(~{Z})-phenyldiazenyl]phenoxy]-7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)purine-2,6-dione

A1IIQ

A1IIQ
Name:	4-ethyl-2,5-dimethyl-pyrazol-3-amine
Formula:	C7 H13 N3
SMILES:	CCc1c(C)nn(C)c1N
InChi:	InChI=1S/C7H13N3/c1-4-6-5(2)9-10(3)7(6)8/h4,8H2,1-3H3
Definition date:	2024-07-18
Last modified:	2025-07-25
Release date:	2025-07-30
Identifier:	4-ethyl-2,5-dimethyl-pyrazol-3-amine

A1IIR

A1IIR
Name:	furan-2-yl(piperazin-1-yl)methanone
Formula:
SMILES:	O=C(N1CCNCC1)c2occc2
InChi:	InChI=1S/C9H12N2O2/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11/h1-2,7,10H,3-6H2
Definition date:	2024-07-18
Last modified:	2025-07-25
Release date:	2025-07-30
Identifier:	furan-2-yl(piperazin-1-yl)methanone

A1IIV

A1IIV
Name:	1-[(~{Z})-2-chloranyl-2-(2,4-dichlorophenyl)ethenyl]-1,2,4-triazole
Formula:	C10 H6 Cl3 N3
SMILES:	Clc1ccc(C(Cl)=Cn2cncn2)c(Cl)c1
InChi:	InChI=1S/C10H6Cl3N3/c11-7-1-2-8(9(12)3-7)10(13)4-16-6-14-5-15-16/h1-6H/b10-4-
Definition date:	2024-07-23
Last modified:	2025-07-25
Release date:	2025-07-30
Identifier:	1-[(~{Z})-2-chloranyl-2-(2,4-dichlorophenyl)ethenyl]-1,2,4-triazole

A1IIW

A1IIW
Name:	(2~{R},3~{S},4~{R},5~{S},6~{S})-6-(2-chloroethyloxy)-2-(hydroxymethyl)-5-[4-[(imidazolidin-2-ylideneamino)methyl]-1,2,3-triazol-1-yl]oxane-3,4-diol
Formula:	C14 H23 Cl N6 O5
SMILES:	OC[CH]1O[CH](OCCCl)[CH]([CH](O)[CH]1O)n2cc(CN=C3NCCN3)nn2
InChi:	InChI=1S/C14H23ClN6O5/c15-1-4-25-13-10(12(24)11(23)9(7-22)26-13)21-6-8(19-20-21)5-18-14-16-2-3-17-14/h6,9-13,22-24H,1-5,7H2,(H2,16,17,18)/t9-,10+,11-,12-,13+/m1/s1
Definition date:	2024-07-24
Last modified:	2025-07-25
Release date:	2025-07-30
Identifier:	(2~{R},3~{S},4~{R},5~{S},6~{S})-6-(2-chloroethyloxy)-2-(hydroxymethyl)-5-[4-[(imidazolidin-2-ylideneamino)methyl]-1,2,3-triazol-1-yl]oxane-3,4-diol

A1IKB

A1IKB
Name:	5-[[8-(oxidanylamino)-8-oxidanylidene-octyl]amino]benzo[c][2,6]naphthyridine-8-carboxylic acid
Formula:	C21 H24 N4 O4
SMILES:	ONC(=O)CCCCCCCNc1nc2cc(ccc2c3cnccc13)C(O)=O
InChi:	InChI=1S/C21H24N4O4/c26-19(25-29)6-4-2-1-3-5-10-23-20-16-9-11-22-13-17(16)15-8-7-14(21(27)28)12-18(15)24-20/h7-9,11-13,29H,1-6,10H2,(H,23,24)(H,25,26)(H,27,28)
Synonyms:	5-[[8-(hydroxyamino)-8-oxooctyl]amino]benzo[c][2,6]naphthyridine-8-carboxylic acid
Definition date:	2024-08-06
Last modified:	2025-07-25
Release date:	2025-07-30
Identifier:	5-[[8-(oxidanylamino)-8-oxidanylidene-octyl]amino]benzo[c][2,6]naphthyridine-8-carboxylic acid

JXI

JXI
Name:	1-methyl-6-[(E)-2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethen-1-yl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Formula:	C18 H16 N6 O
SMILES:	Cn1cc(nc1/C=C/C1=Nc2c(cnn2C)C(=O)N1)c1ccccc1
InChi:	InChI=1S/C18H16N6O/c1-23-11-14(12-6-4-3-5-7-12)20-16(23)9-8-15-21-17-13(18(25)22-15)10-19-24(17)2/h3-11H,1-2H3,(H,21,22,25)/b9-8+
Definition date:	2022-02-02
Last modified:	2025-07-25
Release date:	2022-10-12
Identifier:	1-methyl-6-[(E)-2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethen-1-yl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

A1IVQ

A1IVQ
Name:	[1-[2-[[4-(2-methylpropyl)phenyl]sulfonylamino]ethyl]piperidin-4-yl]methyl 1~{H}-indole-3-carboxylate
Formula:	C27 H35 N3 O4 S
SMILES:	CC(C)Cc1ccc(cc1)[S](=O)(=O)NCCN2CCC(CC2)COC(=O)c3c[nH]c4ccccc34
InChi:	InChI=1S/C27H35N3O4S/c1-20(2)17-21-7-9-23(10-8-21)35(32,33)29-13-16-30-14-11-22(12-15-30)19-34-27(31)25-18-28-26-6-4-3-5-24(25)26/h3-10,18,20,22,28-29H,11-17,19H2,1-2H3
Definition date:	2024-12-03
Last modified:	2025-07-25
Release date:	2025-07-30
Identifier:	[1-[2-[[4-(2-methylpropyl)phenyl]sulfonylamino]ethyl]piperidin-4-yl]methyl 1~{H}-indole-3-carboxylate

A1IVR

A1IVR
Name:	2-(5-chloranyl-1~{H}-indol-3-yl)ethanamide
Formula:	C10 H9 Cl N2 O
SMILES:	NC(=O)Cc1c[nH]c2ccc(Cl)cc12
InChi:	InChI=1S/C10H9ClN2O/c11-7-1-2-9-8(4-7)6(5-13-9)3-10(12)14/h1-2,4-5,13H,3H2,(H2,12,14)
Definition date:	2024-12-04
Last modified:	2025-07-25
Release date:	2025-07-30
Identifier:	2-(5-chloranyl-1~{H}-indol-3-yl)ethanamide

A1IVT

A1IVT
Name:	2-(6-chloranyl-1~{H}-indol-3-yl)ethanoic acid
Formula:	C10 H8 Cl N O2
SMILES:	OC(=O)Cc1c[nH]c2cc(Cl)ccc12
InChi:	InChI=1S/C10H8ClNO2/c11-7-1-2-8-6(3-10(13)14)5-12-9(8)4-7/h1-2,4-5,12H,3H2,(H,13,14)
Definition date:	2024-12-05
Last modified:	2025-07-25
Release date:	2025-07-30
Identifier:	2-(6-chloranyl-1~{H}-indol-3-yl)ethanoic acid

A1JC3

A1JC3
Name:	N-(2-methoxyethyl)-N-[[(3R)-1-(phenylmethyl)piperidin-3-yl]methyl]naphthalene-2-sulfonamide
Formula:	C26 H32 N2 O3 S
SMILES:	COCCN(C[CH]1CCCN(C1)Cc2ccccc2)[S](=O)(=O)c3ccc4ccccc4c3
InChi:	InChI=1S/C26H32N2O3S/c1-31-17-16-28(32(29,30)26-14-13-24-11-5-6-12-25(24)18-26)21-23-10-7-15-27(20-23)19-22-8-3-2-4-9-22/h2-6,8-9,11-14,18,23H,7,10,15-17,19-21H2,1H3/t23-/m1/s1
Synonyms:	N-([(3R)-1-benzylpiperidin-3-yl]methyl)-N-(2-methoxyethyl)naphthalene-2-sulfonamide
Definition date:	2025-05-10
Last modified:	2025-07-25
Release date:	2025-07-30
Identifier:	~{N}-(2-methoxyethyl)-~{N}-[[(3~{R})-1-(phenylmethyl)piperidin-3-yl]methyl]naphthalene-2-sulfonamide

A1L4O

A1L4O
Name:	(3~{S},4~{Z},6~{E},8~{Z},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E})-2,6,10,14,19,23-hexamethyl-25-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]pentacosa-4,6,8,10,12,14,16,18,20,22,24-undecaene-2,3-diol
Formula:	C40 H56 O3
SMILES:	CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C[CH](O)CC1(C)C)C=CC=C(C)C=CC=C(C)C=C[CH](O)C(C)(C)O
InChi:	InChI=1S/C40H56O3/c1-30(18-13-20-32(3)21-15-23-34(5)25-27-38(42)40(9,10)43)16-11-12-17-31(2)19-14-22-33(4)24-26-37-35(6)28-36(41)29-39(37,7)8/h11-27,36,38,41-43H,28-29H2,1-10H3/b12-11+,18-13+,19-14+,21-15-,26-24+,27-25-,30-16+,31-17+,32-20+,33-22+,34-23+/t36-,38+/m1/s1
Definition date:	2024-10-03
Last modified:	2025-07-25
Release date:	2025-07-30
Identifier:	(3~{S},4~{Z},6~{E},8~{Z},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E})-2,6,10,14,19,23-hexamethyl-25-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]pentacosa-4,6,8,10,12,14,16,18,20,22,24-undecaene-2,3-diol

H81

H81
Name:	N-(3-{[7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)prop-2-ynamide
Formula:	C21 H28 N6 O3
SMILES:	c21cc(OCCN)c(cc1c(nc(n2)N3CCCC3)NCCCNC(C#C)=O)OC
InChi:	InChI=1S/C21H28N6O3/c1-3-19(28)23-8-6-9-24-20-15-13-17(29-2)18(30-12-7-22)14-16(15)25-21(26-20)27-10-4-5-11-27/h1,13-14H,4-12,22H2,2H3,(H,23,28)(H,24,25,26)
Definition date:	2018-06-14
Last modified:	2025-07-25
Release date:	2025-07-30
Identifier:	N-(3-{[7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)prop-2-ynamide

K4L

K4L
Name:	5-(2-phenylethyl)[3,4'-bipyridin]-6(1H)-one
Formula:	C18 H16 N2 O
SMILES:	O=C1NC=C(C=C1CCc1ccccc1)c1ccncc1
InChi:	InChI=1S/C18H16N2O/c21-18-16(7-6-14-4-2-1-3-5-14)12-17(13-20-18)15-8-10-19-11-9-15/h1-5,8-13H,6-7H2,(H,20,21)
Definition date:	2022-02-02
Last modified:	2025-07-25
Release date:	2022-10-12
Identifier:	5-(2-phenylethyl)[3,4'-bipyridin]-6(1H)-one

K4U

K4U
Name:	6-cyclopropyl-N-{4-[(piperidin-1-yl)methyl]-1,3-thiazol-2-yl}-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxamide
Formula:	C21 H24 N8 O S
SMILES:	O=C(Nc1nc(CN2CCCCC2)cs1)c1nc(cnc1Nc1cncnc1)C1CC1
InChi:	InChI=1S/C21H24N8OS/c30-20(28-21-26-16(12-31-21)11-29-6-2-1-3-7-29)18-19(25-15-8-22-13-23-9-15)24-10-17(27-18)14-4-5-14/h8-10,12-14H,1-7,11H2,(H,24,25)(H,26,28,30)
Definition date:	2022-02-03
Last modified:	2025-07-25
Release date:	2022-10-12
Identifier:	6-cyclopropyl-N-{4-[(piperidin-1-yl)methyl]-1,3-thiazol-2-yl}-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxamide

Q75

Q75
Name:	Thiazole-histidine
Formula:	C6 H8 N2 O2 S
SMILES:	N[CH](Cc1scnc1)C(O)=O
InChi:	InChI=1S/C6H8N2O2S/c7-5(6(9)10)1-4-2-8-3-11-4/h2-3,5H,1,7H2,(H,9,10)/t5-/m0/s1
Synonyms:	(2S)-2-azanyl-3-(1,3-thiazol-5-yl)propanoic acid
Definition date:	2020-05-26
Last modified:	2025-07-23
Release date:	2021-04-28
Identifier:	(2~{S})-2-azanyl-3-(1,3-thiazol-5-yl)propanoic acid

6BR

6BR
Name:	threoninevanadate
Formula:	C4 H8 N O7 V
SMILES:	NC(C(O[V]([O-])(=O)([O-])[O-])C)C(O)=O
InChi:	InChI=1S/C4H8NO3.4O.V/c1-2(6)3(5)4(7)8
Definition date:	2016-03-03
Last modified:	2025-07-23
Release date:	2016-06-15
Identifier:	trioxido(oxo)(L-threoninato-kappaO~3~)vanadate(3-)

HSK

HSK
Name:	3-hydroxy-L-histidine
Formula:	C6 H9 N3 O3
SMILES:	O=C(O)C(N)Cc1cncn1O
InChi:	InChI=1S/C6H9N3O3/c7-5(6(10)11)1-4-2-8-3-9(4)12/h2-3,5,12H,1,7H2,(H,10,11)/t5-/m0/s1
Definition date:	2014-05-01
Last modified:	2025-07-23
Release date:	2014-09-03
Identifier:	3-hydroxy-L-histidine

A66

A66
Name:	N-(3,7-Diaminopurin-6-ylacetyl)-L-lysine
Formula:	C15 H24 N8 O3
SMILES:	O=C(O)C(N(C(=O)Cn1c2ncnc(c2nc1)N)CCN)CCCCN
InChi:	InChI=1S/C15H24N8O3/c16-4-2-1-3-10(15(25)26)23(6-5-17)11(24)7-22-9-21-12-13(18)19-8-20-14(12)22/h8-10H,1-7,16-17H2,(H,25,26)(H2,18,19,20)/t10-/m1/s1
Synonyms:	2-AMINOETHYLLYSINE-CARBONYLMETHYLENE-ADENINE
Definition date:	2003-02-19
Last modified:	2025-07-23
Identifier:	N~2~-(2-aminoethyl)-N~2~-[(6-amino-9H-purin-9-yl)acetyl]-D-lysine

FGL

FGL
Name:	2-AMINOPROPANEDIOIC ACID
Formula:	C3 H5 N O4
SMILES:	O=C(O)C(N)C(=O)O
InChi:	InChI=1S/C3H5NO4/c4-1(2(5)6)3(7)8/h1H,4H2,(H,5,6)(H,7,8)
Definition date:	1999-07-08
Last modified:	2025-07-23
Identifier:	aminopropanedioic acid

BNO

BNO
Name:	NORLEUCINE BORONIC ACID
Formula:	C5 H14 B N O2
SMILES:	OB(O)C(N)CCCC
InChi:	InChI=1S/C5H14BNO2/c1-2-3-4-5(7)6(8)9/h5,8-9H,2-4,7H2,1H3/t5-/m0/s1
Definition date:	1999-07-08
Last modified:	2025-07-23
Identifier:	[(1R)-1-aminopentyl]boronic acid

LHV

LHV
Name:	(2S)-2-hydroxy-3-methylbutanoic acid
Formula:	C5 H10 O3
SMILES:	O=C(O)C(O)C(C)C
InChi:	InChI=1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t4-/m0/s1
Definition date:	2012-10-16
Last modified:	2025-07-23
Release date:	2016-04-20
Identifier:	(2S)-2-hydroxy-3-methylbutanoic acid

NOT

NOT
Name:	6-Azido-L-lysine
Formula:	C6 H12 N4 O2
SMILES:	[N-]=[N+]=N/CCCCC(N)C(=O)O
InChi:	InChI=1S/C6H12N4O2/c7-5(6(11)12)3-1-2-4-9-10-8/h5H,1-4,7H2,(H,11,12)/t5-/m0/s1
Synonyms:	(S)-2-Amino-6-azidohexanoic acid
Definition date:	2009-05-08
Last modified:	2025-07-23
Identifier:	6-azido-L-norleucine

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