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A1IBD

A1IBD
Name:	~{N}-[(2~{S})-2-azanylpropyl]-4-methyl-benzenesulfonamide
Formula:	C10 H16 N2 O2 S
SMILES:	C[CH](N)CN[S](=O)(=O)c1ccc(C)cc1
InChi:	InChI=1S/C10H16N2O2S/c1-8-3-5-10(6-4-8)15(13,14)12-7-9(2)11/h3-6,9,12H,7,11H2,1-2H3/t9-/m0/s1
Definition date:	2024-05-10
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	~{N}-[(2~{S})-2-azanylpropyl]-4-methyl-benzenesulfonamide

A1IBE

A1IBE
Name:	~{N}-[(2~{S})-3-azanyl-2-oxidanyl-propyl]-2-fluoranyl-benzenesulfonamide
Formula:	C9 H13 F N2 O3 S
SMILES:	NC[CH](O)CN[S](=O)(=O)c1ccccc1F
InChi:	InChI=1S/C9H13FN2O3S/c10-8-3-1-2-4-9(8)16(14,15)12-6-7(13)5-11/h1-4,7,12-13H,5-6,11H2/t7-/m0/s1
Definition date:	2024-05-10
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	~{N}-[(2~{S})-3-azanyl-2-oxidanyl-propyl]-2-fluoranyl-benzenesulfonamide

A1IBQ

A1IBQ
Name:	~{N}-[(2~{S})-2-azanyl-2-phenyl-ethyl]-3,5-bis(fluoranyl)benzenesulfonamide
Formula:	C14 H14 F2 N2 O2 S
SMILES:	N[CH](CN[S](=O)(=O)c1cc(F)cc(F)c1)c2ccccc2
InChi:	InChI=1S/C14H14F2N2O2S/c15-11-6-12(16)8-13(7-11)21(19,20)18-9-14(17)10-4-2-1-3-5-10/h1-8,14,18H,9,17H2/t14-/m1/s1
Definition date:	2024-05-14
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	~{N}-[(2~{S})-2-azanyl-2-phenyl-ethyl]-3,5-bis(fluoranyl)benzenesulfonamide

A1IBR

A1IBR
Name:	~{N}-[(2~{S})-2-azanyl-2-phenyl-ethyl]-3,5-bis(fluoranyl)-~{N}-methyl-benzenesulfonamide
Formula:	C15 H16 F2 N2 O2 S
SMILES:	CN(C[CH](N)c1ccccc1)[S](=O)(=O)c2cc(F)cc(F)c2
InChi:	InChI=1S/C15H16F2N2O2S/c1-19(10-15(18)11-5-3-2-4-6-11)22(20,21)14-8-12(16)7-13(17)9-14/h2-9,15H,10,18H2,1H3/t15-/m1/s1
Definition date:	2024-05-14
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	~{N}-[(2~{S})-2-azanyl-2-phenyl-ethyl]-3,5-bis(fluoranyl)-~{N}-methyl-benzenesulfonamide

A1L2I

A1L2I
Name:	Acarviosin
Formula:	C14 H25 N O8
SMILES:	CO[CH]1O[CH](C)[CH](N[CH]2C=C(CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O
InChi:	InChI=1S/C14H25NO8/c1-5-8(11(19)13(21)14(22-2)23-5)15-7-3-6(4-16)9(17)12(20)10(7)18/h3,5,7-21H,4H2,1-2H3/t5-,7+,8-,9-,10+,11+,12+,13-,14+/m1/s1
Synonyms:	(1~{S},2~{S},3~{R},6~{S})-4-(hydroxymethyl)-6-[[(2~{R},3~{S},4~{S},5~{R},6~{S})-6-methoxy-2-methyl-4,5-bis(oxidanyl)oxan-3-yl]amino]cyclohex-4-ene-1,2,3-triol
Definition date:	2024-06-21
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	(1~{S},2~{S},3~{R},6~{S})-4-(hydroxymethyl)-6-[[(2~{R},3~{S},4~{S},5~{R},6~{S})-6-methoxy-2-methyl-4,5-bis(oxidanyl)oxan-3-yl]amino]cyclohex-4-ene-1,2,3-triol

A1LTQ

A1LTQ
Name:	ADP-RIBOXANATED ARGININE
Formula:	C21 H32 N8 O15 P2
SMILES:	N[CH](CCCN1[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2OC1=N)C(O)=O
InChi:	InChI=1S/C21H32N8O15P2/c22-8(20(33)34)2-1-3-28-19-15(43-21(28)24)13(31)10(42-19)5-40-46(37,38)44-45(35,36)39-4-9-12(30)14(32)18(41-9)29-7-27-11-16(23)25-6-26-17(11)29/h6-10,12-15,18-19,24,30-32H,1-5,22H2,(H,33,34)(H,35,36)(H,37,38)(H2,23,25,26)/b24-21+/t8-,9+,10+,12+,13+,14+,15+,18+,19-/m0/s1
Synonyms:	5-[5-[[[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-azanylidene-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxazol-3-yl]-2-azanyl-pentanoic acid
Definition date:	2024-01-22
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	5-[5-[[[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-azanylidene-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxazol-3-yl]-2-azanyl-pentanoic acid

O0B

O0B
Name:	(2~{S},3~{S})-2-azanyl-5,5,5-tris(fluoranyl)-3-methyl-pentanal
Formula:	C6 H10 F3 N O2
SMILES:	C[CH](CC(F)(F)F)[CH](N)C(O)=O
InChi:	InChI=1S/C6H10F3NO2/c1-3(2-6(7,8)9)4(10)5(11)12/h3-4H,2,10H2,1H3,(H,11,12)/t3-,4-/m0/s1
Definition date:	2020-01-13
Last modified:	2024-06-28
Release date:	2021-01-27
Identifier:	(2~{S},3~{S})-2-azanyl-5,5,5-tris(fluoranyl)-3-methyl-pentanoic acid

2UC

2UC
Name:	1-[3-(2-oxoethyl)benzyl]guanidine
Formula:	C10 H13 N3 O2
SMILES:	O=CCc1cccc(c1)CNC(=[N@H])N
InChi:	InChI=1S/C10H13N3O2/c11-10(12)13-6-8-3-1-2-7(4-8)5-9(14)15/h1-4H,5-6H2,(H,14,15)(H4,11,12,13)
Definition date:	2014-02-07
Last modified:	2024-06-28
Release date:	2014-04-09
Identifier:	1-[3-(2-oxoethyl)benzyl]guanidine

O6H

O6H
Name:	2,4,6-trimethyl-L-phenylalanine
Formula:	C12 H17 N O2
SMILES:	Cc1cc(C)c(C[CH](N)C(O)=O)c(C)c1
InChi:	InChI=1S/C12H17NO2/c1-7-4-8(2)10(9(3)5-7)6-11(13)12(14)15/h4-5,11H,6,13H2,1-3H3,(H,14,15)/t11-/m0/s1
Synonyms:	(2~{S})-2-azanyl-3-(2,4,6-trimethylphenyl)propanal
Definition date:	2020-02-13
Last modified:	2024-06-28
Release date:	2021-01-27
Identifier:	(2~{S})-2-azanyl-3-(2,4,6-trimethylphenyl)propanoic acid

56J

56J
Name:	3-(9H-fluoren-9-yl)propanal
Formula:	C16 H14 O2
SMILES:	c1cc2c(cc1)c3c(C2CCC=O)cccc3
InChi:	InChI=1S/C16H14O2/c17-16(18)10-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H,17,18)
Definition date:	2015-08-04
Last modified:	2024-06-28
Release date:	2016-08-17
Identifier:	3-(9H-fluoren-9-yl)propanal

MAZ

MAZ
Name:	FORMIC ACID 3-AMINO-BENZYL ESTER
Formula:	C8 H9 N O3
SMILES:	O=COCc1cc(N)ccc1
InChi:	InChI=1S/C8H9NO3/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4H,5,9H2,(H,10,11)
Synonyms:	META-AMINO BENZYLOCARBONYL
Definition date:	2001-09-21
Last modified:	2024-06-28
Identifier:	3-aminobenzyl formate

ORT

ORT
Name:	(4~{S})-4-azanyl-5-oxidanylidene-pentanehydrazide
Formula:	C5 H11 N3 O3
SMILES:	NNC(=O)CC[CH](N)C(O)=O
InChi:	InChI=1S/C5H11N3O3/c6-3(5(10)11)1-2-4(9)8-7/h3H,1-2,6-7H2,(H,8,9)(H,10,11)/t3-/m0/s1
Definition date:	2020-04-01
Last modified:	2024-06-28
Release date:	2020-07-01
Identifier:	(2~{S})-2-azanyl-5-diazanyl-5-oxidanylidene-pentanoic acid

HHC

HHC
Name:	~{N}-[(2~{R})-2,3-bis(azanyl)-3-oxidanylidene-propyl]-2-[(4~{R})-4-methanoyl-4,5-dihydro-1,3-thiazol-2-yl]pyridine-4-carboxamide
Formula:	C13 H15 N5 O4 S
SMILES:	N[CH](CNC(=O)c1ccnc(c1)C2=N[CH](CS2)C(O)=O)C(N)=O
InChi:	InChI=1S/C13H15N5O4S/c14-7(10(15)19)4-17-11(20)6-1-2-16-8(3-6)12-18-9(5-23-12)13(21)22/h1-3,7,9H,4-5,14H2,(H2,15,19)(H,17,20)(H,21,22)/t7-,9+/m1/s1
Definition date:	2021-01-12
Last modified:	2024-06-28
Release date:	2021-04-14
Identifier:	(4~{R})-2-[4-[[(2~{R})-2,3-bis(azanyl)-3-oxidanylidene-propyl]carbamoyl]pyridin-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid

85L

85L
Name:	[[(2~{R})-2-azanyl-3-oxidanylidene-propyl]-(chloranylaurio)sulfanuidyl]-chloranyl-gold
Formula:	C3 H6 Au2 Cl2 N O2 S
SMILES:	N[CH](C[S-]([Au]Cl)[Au]Cl)C(O)=O
InChi:	InChI=1S/C3H7NO2S.2Au.2ClH/c4-2(1-7)3(5)6
Definition date:	2021-10-01
Last modified:	2024-06-28
Release date:	2023-04-19
Identifier:	[[(2~{R})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]-(chloranylaurio)sulfanuidyl]-chloranyl-gold

Q8X

Q8X
Name:	(2~{R})-2-azanyl-3-[(6-pyridin-2-ylpyridin-3-yl)methylsulfanyl]propanal
Formula:	C14 H15 N3 O2 S
SMILES:	N[CH](CSCc1ccc(nc1)c2ccccn2)C(O)=O
InChi:	InChI=1S/C14H15N3O2S/c15-11(14(18)19)9-20-8-10-4-5-13(17-7-10)12-3-1-2-6-16-12/h1-7,11H,8-9,15H2,(H,18,19)/t11-/m0/s1
Definition date:	2022-07-20
Last modified:	2024-06-28
Release date:	2023-08-16
Identifier:	(2~{R})-2-azanyl-3-[(6-pyridin-2-ylpyridin-3-yl)methylsulfanyl]propanoic acid

QCN

QCN
Name:	(2~{S})-2-azanyl-3-(3-~{tert}-butyl-4-oxidanyl-phenyl)propanal
Formula:	C13 H19 N O3
SMILES:	CC(C)(C)c1cc(C[CH](N)C(O)=O)ccc1O
InChi:	InChI=1S/C13H19NO3/c1-13(2,3)9-6-8(4-5-11(9)15)7-10(14)12(16)17/h4-6,10,15H,7,14H2,1-3H3,(H,16,17)/t10-/m0/s1
Definition date:	2020-06-05
Last modified:	2024-06-28
Release date:	2021-06-30
Identifier:	(2~{S})-2-azanyl-3-(3-~{tert}-butyl-4-oxidanyl-phenyl)propanoic acid

QQB

QQB
Name:	~{N}-[(2~{S})-2-azanyl-3-naphthalen-1-yl-propyl]methanamide
Formula:	C14 H16 N2 O2
SMILES:	N[CH](CNC(O)=O)Cc1cccc2ccccc12
InChi:	InChI=1S/C14H16N2O2/c15-12(9-16-14(17)18)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,12,16H,8-9,15H2,(H,17,18)/t12-/m0/s1
Definition date:	2020-07-23
Last modified:	2024-06-28
Release date:	2021-06-09
Identifier:	[(2~{S})-2-azanyl-3-naphthalen-1-yl-propyl]carbamic acid

DUG

DUG
Name:	(3-chloro-4-fluorophenoxy)acetaldehyde
Formula:	C8 H6 Cl F O3
SMILES:	Fc1ccc(cc1Cl)OCC=O
InChi:	InChI=1S/C8H6ClFO3/c9-6-3-5(1-2-7(6)10)13-4-8(11)12/h1-3H,4H2,(H,11,12)
Definition date:	2017-11-07
Last modified:	2024-06-28
Release date:	2018-10-17
Identifier:	(3-chloro-4-fluorophenoxy)acetaldehyde

9AC

9AC
Name:	9-ACRIDINECARBONYL
Formula:	C14 H9 N O2
SMILES:	O=Cc1c3c(nc2c1cccc2)cccc3
InChi:	InChI=1S/C14H9NO2/c16-14(17)13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H,(H,16,17)
Synonyms:	9-ACRIDINOYL
Definition date:	2000-11-10
Last modified:	2024-06-28
Identifier:	acridine-9-carbaldehyde

9JC

9JC
Name:	4-(aminomethyl)-8-azanyl-quinoline-2-carbaldehyde
Formula:	C11 H11 N3 O2
SMILES:	NCc1cc(nc2c(N)cccc12)C(O)=O
InChi:	InChI=1S/C11H11N3O2/c12-5-6-4-9(11(15)16)14-10-7(6)2-1-3-8(10)13/h1-4H,5,12-13H2,(H,15,16)
Definition date:	2021-11-15
Last modified:	2024-06-28
Release date:	2023-09-27
Identifier:	4-(aminomethyl)-8-azanyl-quinoline-2-carboxylic acid

P5R

P5R
Name:	2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Formula:	C34 H70 O18
SMILES:	OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChi:	InChI=1S/C34H70O18/c35-1-3-37-5-7-39-9-11-41-13-15-43-17-19-45-21-23-47-25-27-49-29-31-51-33-34-52-32-30-50-28-26-48-24-22-46-20-18-44-16-14-42-12-10-40-8-6-38-4-2-36/h35-36H,1-34H2
Definition date:	2023-08-22
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

P8R

P8R
Name:	1-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
Formula:	C24 H50 O12
SMILES:	COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC
InChi:	InChI=1S/C24H50O12/c1-25-3-5-27-7-9-29-11-13-31-15-17-33-19-21-35-23-24-36-22-20-34-18-16-32-14-12-30-10-8-28-6-4-26-2/h3-24H2,1-2H3
Definition date:	2023-08-24
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	1-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane

S7Z

S7Z
Name:	(E)-(4-((2,6-difluoro-4-(hydroxymethyl)phenyl)diazenyl)-2,6-difluorophenyl)methanol
Formula:	C14 H6 F4 N2 O4
SMILES:	OC(=O)c1cc(F)c(N=Nc2c(F)cc(cc2F)C(O)=O)c(F)c1
InChi:	InChI=1S/C14H6F4N2O4/c15-7-1-5(13(21)22)2-8(16)11(7)19-20-12-9(17)3-6(14(23)24)4-10(12)18/h1-4H,(H,21,22)(H,23,24)/b20-19-
Synonyms:	[4-[(~{Z})-[2,6-bis(fluoranyl)-4-(hydroxymethyl)phenyl]diazenyl]-3,5-bis(fluoranyl)phenyl]methanol
Definition date:	2020-11-11
Last modified:	2024-06-28
Release date:	2021-12-15
Identifier:	4-[(~{Z})-[4-carboxy-2,6-bis(fluoranyl)phenyl]diazenyl]-3,5-bis(fluoranyl)benzoic acid

SJW

SJW
Name:	3-pyridin-3-ylpropanal
Formula:	C8 H9 N O2
SMILES:	OC(=O)CCc1cccnc1
InChi:	InChI=1S/C8H9NO2/c10-8(11)4-3-7-2-1-5-9-6-7/h1-2,5-6H,3-4H2,(H,10,11)
Definition date:	2020-11-20
Last modified:	2024-06-28
Release date:	2021-12-01
Identifier:	3-pyridin-3-ylpropanoic acid

TA2

TA2
Name:	(2R,3S)-3-AMINO-3-PHENYLPROPANE-1,2-DIOL
Formula:	C9 H11 N O3
SMILES:	OCC(O)C(N)c1ccccc1
InChi:	InChI=1S/C9H11NO3/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)/t7-,8+/m0/s1
Definition date:	2006-09-22
Last modified:	2024-06-28
Identifier:	(2R,3S)-3-amino-3-phenylpropane-1,2-diol

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