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LV2

LV2
Name:	[(2~{R},3~{S},4~{R},5~{R})-5-[4-(dimethylamino)-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
Formula:	C11 H18 N3 O8 P
SMILES:	CN(C)C1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
InChi:	InChI=1S/C11H18N3O8P/c1-13(2)7-3-4-14(11(17)12-7)10-9(16)8(15)6(22-10)5-21-23(18,19)20/h3-4,6,8-10,15-16H,5H2,1-2H3,(H2,18,19,20)/t6-,8-,9-,10-/m1/s1
Definition date:	2019-09-10
Last modified:	2020-07-24
Release date:	2020-07-29
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-[4-(dimethylamino)-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

QF2

QF2
Name:	6-[[cyclopropyl-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]amino]methyl]-1~{H}-pyrimidine-2,4-dione
Formula:	C17 H19 N3 O5
SMILES:	COc1cc(CN(CC2=CC(=O)NC(=O)N2)C3CC3)cc4OCOc14
InChi:	InChI=1S/C17H19N3O5/c1-23-13-4-10(5-14-16(13)25-9-24-14)7-20(12-2-3-12)8-11-6-15(21)19-17(22)18-11/h4-6,12H,2-3,7-9H2,1H3,(H2,18,19,21,22)
Definition date:	2020-06-12
Last modified:	2020-07-24
Release date:	2020-07-29
Identifier:	6-[[cyclopropyl-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]amino]methyl]-1~{H}-pyrimidine-2,4-dione

QGN

QGN
Name:	4,5-dimethyl-1~{H}-pyrazolo[3,4-c]pyridazin-3-amine
Formula:	C7 H9 N5
SMILES:	Cc1nnc2[nH]nc(N)c2c1C
InChi:	InChI=1S/C7H9N5/c1-3-4(2)9-11-7-5(3)6(8)10-12-7/h1-2H3,(H3,8,10,11,12)
Definition date:	2020-06-16
Last modified:	2020-07-24
Release date:	2020-07-29
Identifier:	4,5-dimethyl-1~{H}-pyrazolo[3,4-c]pyridazin-3-amine

QGQ

QGQ
Name:	3,5-dimethyl-4-[(6-methylpyrimidin-4-yl)sulfanylmethyl]-1,2-oxazole
Formula:	C11 H13 N3 O S
SMILES:	Cc1onc(C)c1CSc2cc(C)ncn2
InChi:	InChI=1S/C11H13N3OS/c1-7-4-11(13-6-12-7)16-5-10-8(2)14-15-9(10)3/h4,6H,5H2,1-3H3
Definition date:	2020-06-16
Last modified:	2020-07-24
Release date:	2020-07-29
Identifier:	3,5-dimethyl-4-[(6-methylpyrimidin-4-yl)sulfanylmethyl]-1,2-oxazole

LXQ

LXQ
Name:	(3~{R})-1-ethanoylpyrrolidine-3-carboxylic acid
Formula:	C7 H11 N O3
SMILES:	CC(=O)N1CC[CH](C1)C(O)=O
InChi:	InChI=1S/C7H11NO3/c1-5(9)8-3-2-6(4-8)7(10)11/h6H,2-4H2,1H3,(H,10,11)/t6-/m1/s1
Definition date:	2019-09-27
Last modified:	2020-07-24
Release date:	2020-07-29
Identifier:	(3~{R})-1-ethanoylpyrrolidine-3-carboxylic acid

QHE

QHE
Name:	3-ethyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
Formula:	C12 H11 N3 S
SMILES:	CCc1nnc2scc(n12)c3ccccc3
InChi:	InChI=1S/C12H11N3S/c1-2-11-13-14-12-15(11)10(8-16-12)9-6-4-3-5-7-9/h3-8H,2H2,1H3
Definition date:	2020-06-17
Last modified:	2020-07-24
Release date:	2020-07-29
Identifier:	3-ethyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole

QKW

QKW
Name:	(4-chlorophenyl)methyl pyridine-3-carboxylate
Formula:	C13 H10 Cl N O2
SMILES:	Clc1ccc(COC(=O)c2cccnc2)cc1
InChi:	InChI=1S/C13H10ClNO2/c14-12-5-3-10(4-6-12)9-17-13(16)11-2-1-7-15-8-11/h1-8H,9H2
Definition date:	2020-06-23
Last modified:	2020-07-24
Release date:	2020-07-29
Identifier:	(4-chlorophenyl)methyl pyridine-3-carboxylate

QKZ

QKZ
Name:	2-(4-chlorophenyl)-~{N}-pyrimidin-2-yl-ethanamide
Formula:	C12 H10 Cl N3 O
SMILES:	Clc1ccc(CC(=O)Nc2ncccn2)cc1
InChi:	InChI=1S/C12H10ClN3O/c13-10-4-2-9(3-5-10)8-11(17)16-12-14-6-1-7-15-12/h1-7H,8H2,(H,14,15,16,17)
Definition date:	2020-06-23
Last modified:	2020-07-24
Release date:	2020-07-29
Identifier:	2-(4-chlorophenyl)-~{N}-pyrimidin-2-yl-ethanamide

QL5

QL5
Name:	(2,5-dimethylphenyl) pyridine-4-carboxylate
Formula:	C14 H13 N O2
SMILES:	Cc1ccc(C)c(OC(=O)c2ccncc2)c1
InChi:	InChI=1S/C14H13NO2/c1-10-3-4-11(2)13(9-10)17-14(16)12-5-7-15-8-6-12/h3-9H,1-2H3
Definition date:	2020-06-23
Last modified:	2020-07-24
Release date:	2020-07-29
Identifier:	(2,5-dimethylphenyl) pyridine-4-carboxylate

Q62

Q62
Name:	~{N}-[(5~{S})-5-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-6-oxidanylidene-6-(prop-2-ynylamino)hexyl]-2,3-bis(oxidanyl)benzamide
Formula:	C23 H25 N3 O7
SMILES:	Oc1cccc(C(=O)NCCCC[CH](NC(=O)c2cccc(O)c2O)C(=O)NCC#C)c1O
InChi:	InChI=1S/C23H25N3O7/c1-2-12-24-23(33)16(26-22(32)15-8-6-11-18(28)20(15)30)9-3-4-13-25-21(31)14-7-5-10-17(27)19(14)29/h1,5-8,10-11,16,27-30H,3-4,9,12-13H2,(H,24,33)(H,25,31)(H,26,32)/t16-/m0/s1
Definition date:	2020-05-19
Last modified:	2020-07-24
Release date:	2020-07-29
Identifier:	~{N}-[(5~{S})-5-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-6-oxidanylidene-6-(prop-2-ynylamino)hexyl]-2,3-bis(oxidanyl)benzamide

QM2

QM2
Name:	2-[6-(4-cyclopropylphenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid
Formula:	C17 H14 N2 O2 S2
SMILES:	OC(=O)CSc1ncnc2cc(sc12)c3ccc(cc3)C4CC4
InChi:	InChI=1S/C17H14N2O2S2/c20-15(21)8-22-17-16-13(18-9-19-17)7-14(23-16)12-5-3-11(4-6-12)10-1-2-10/h3-7,9-10H,1-2,8H2,(H,20,21)
Definition date:	2020-06-29
Last modified:	2020-07-24
Release date:	2020-07-29
Identifier:	2-[6-(4-cyclopropylphenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid

J0V

J0V
Name:	1,6,6-trimethyl-10,11-dioxo-6,7,8,9,10,11-hexahydrophenanthro[1,2-b]furan-2-sulfonic acid
Formula:	C19 H18 O6 S
SMILES:	c3c4c1c(c(C)c(o1)S(=O)(=O)O)C(=O)C(=O)c4c2c(C(C)(CCC2)C)c3
InChi:	InChI=1S/C19H18O6S/c1-9-13-15(20)16(21)14-10-5-4-8-19(2,3)12(10)7-6-11(14)17(13)25-18(9)26(22,23)24/h6-7H,4-5,8H2,1-3H3,(H,22,23,24)
Definition date:	2018-08-02
Last modified:	2020-07-24
Release date:	2020-07-29
Identifier:	1,6,6-trimethyl-10,11-dioxo-6,7,8,9,10,11-hexahydrophenanthro[1,2-b]furan-2-sulfonic acid

DKR

DKR
Name:	N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide
Formula:	C13 H14 N2 O
SMILES:	Cc1ccc(CNC(=O)c2[nH]ccc2)cc1
InChi:	InChI=1S/C13H14N2O/c1-10-4-6-11(7-5-10)9-15-13(16)12-3-2-8-14-12/h2-8,14H,9H2,1H3,(H,15,16)
Definition date:	2019-08-08
Last modified:	2020-07-24
Release date:	2020-07-29
Identifier:	~{N}-[(4-methylphenyl)methyl]-1~{H}-pyrrole-2-carboxamide

EAY

EAY
Name:	(2R,3E)-2-hydroxy-3-imino-2,3-dihydrooxepine-4-carboxylic acid
Formula:	C7 H7 N O4
SMILES:	[N@H]=C1C(C(O)=O)=CC=COC1O
InChi:	InChI=1S/C7H7NO4/c8-5-4(6(9)10)2-1-3-12-7(5)11/h1-3,7-8,11H,(H,9,10)/b8-5+/t7-/m1/s1
Definition date:	2017-12-18
Last modified:	2020-07-24
Release date:	2020-07-29
Identifier:	(2R,3E)-2-hydroxy-3-imino-2,3-dihydrooxepine-4-carboxylic acid

2FO

2FO
Name:	(2Z,3Z)-2-[(2Z)-3-hydroxyprop-2-en-1-ylidene]-3-iminobutanedioic acid
Formula:	C7 H7 N O5
SMILES:	O=C(O)C(=[N@H])/C(=C/C=CO)/C(=O)O
InChi:	InChI=1S/C7H7NO5/c8-5(7(12)13)4(6(10)11)2-1-3-9/h1-3,8-9H,(H,10,11)(H,12,13)/b3-1?,4-2-,8-5?
Definition date:	2013-10-09
Last modified:	2020-07-24
Release date:	2020-07-29
Identifier:	(2Z,3Z)-2-[(2Z)-3-hydroxyprop-2-en-1-ylidene]-3-iminobutanedioic acid

F2X

F2X
Name:	(2~{R})-2-methyl-5-oxidanyl-2,3-dihydronaphthalene-1,4-dione
Formula:	C11 H10 O3
SMILES:	C[CH]1CC(=O)c2c(O)cccc2C1=O
InChi:	InChI=1S/C11H10O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-4,6,12H,5H2,1H3/t6-/m1/s1
Definition date:	2020-03-18
Last modified:	2020-07-24
Release date:	2020-07-29
Identifier:	(2~{R})-2-methyl-5-oxidanyl-2,3-dihydronaphthalene-1,4-dione

FK3

FK3
Name:	(3~{S},3~{a}~{S},6~{a}~{R})-~{N}-[(2~{R},3~{S})-1-(cyclopropylamino)-2-oxidanyl-1-oxidanylidene-hexan-3-yl]-2-methanoyl-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide
Formula:	C18 H29 N3 O4
SMILES:	CCC[CH](NC(=O)[CH]1[CH]2CCC[CH]2CN1C=O)[CH](O)C(=O)NC3CC3
InChi:	InChI=1S/C18H29N3O4/c1-2-4-14(16(23)18(25)19-12-7-8-12)20-17(24)15-13-6-3-5-11(13)9-21(15)10-22/h10-16,23H,2-9H2,1H3,(H,19,25)(H,20,24)/t11-,13-,14-,15-,16+/m0/s1
Definition date:	2020-05-28
Last modified:	2020-07-24
Release date:	2020-07-29
Identifier:	(3~{S},3~{a}~{S},6~{a}~{R})-~{N}-[(2~{R},3~{S})-1-(cyclopropylamino)-2-oxidanyl-1-oxidanylidene-hexan-3-yl]-2-methanoyl-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide

D9F

D9F
Name:	(3~{Z},5~{E},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z},19~{E},24~{R})-24-methyl-8,14,16-tris(oxidanyl)-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one
Formula:	C24 H34 O5
SMILES:	C[CH]1CCCC=CC=C[CH](O)C[CH](O)CC=CC=C[CH](O)CC=CC=CC(=O)O1
InChi:	InChI=1S/C24H34O5/c1-20-13-7-3-2-4-8-16-22(26)19-23(27)17-11-5-9-14-21(25)15-10-6-12-18-24(28)29-20/h2,4-6,8-12,14,16,18,20-23,25-27H,3,7,13,15,17,19H2,1H3/b4-2+,10-6+,11-5+,14-9+,16-8-,18-12-/t20-,21-,22+,23+/m1/s1
Definition date:	2019-07-24
Last modified:	2020-07-24
Release date:	2020-07-29
Identifier:	(3~{Z},5~{E},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z},19~{E},24~{R})-24-methyl-8,14,16-tris(oxidanyl)-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one

D9L

D9L
Name:	4-(2-acetamidoethylsulfanyl)-4-oxidanylidene-butanoic acid
Formula:	C8 H13 N O4 S
SMILES:	CC(=O)NCCSC(=O)CCC(O)=O
InChi:	InChI=1S/C8H13NO4S/c1-6(10)9-4-5-14-8(13)3-2-7(11)12/h2-5H2,1H3,(H,9,10)(H,11,12)
Definition date:	2019-07-24
Last modified:	2020-07-24
Release date:	2020-07-29
Identifier:	4-(2-acetamidoethylsulfanyl)-4-oxidanylidene-butanoic acid

D9O

D9O
Name:	4-[[(3~{E},5~{Z},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z},19~{E},24~{R})-24-methyl-14,16-bis(oxidanyl)-2-oxidanylidene-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy]-4-oxidanylidene-butanoic acid
Formula:	C28 H38 O8
SMILES:	C[CH]1CCCC=CC=C[CH](O)C[CH](O)CC=CC=C[CH](CC=CC=CC(=O)O1)OC(=O)CCC(O)=O
InChi:	InChI=1S/C28H38O8/c1-22-13-7-3-2-4-8-14-23(29)21-24(30)15-9-5-10-16-25(36-28(34)20-19-26(31)32)17-11-6-12-18-27(33)35-22/h2,4-6,8-12,14,16,18,22-25,29-30H,3,7,13,15,17,19-21H2,1H3,(H,31,32)/b4-2+,9-5+,11-6-,14-8-,16-10+,18-12+/t22-,23+,24+,25-/m1/s1
Definition date:	2019-07-24
Last modified:	2020-07-24
Release date:	2020-07-29
Identifier:	4-[[(3~{E},5~{Z},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z},19~{E},24~{R})-24-methyl-14,16-bis(oxidanyl)-2-oxidanylidene-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy]-4-oxidanylidene-butanoic acid

QV4

QV4
Name:	4,6-dideoxy-4-{[(1S,4R,5R,6S)-4-{[alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl]oxy}-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose
Formula:	C31 H53 N O23
SMILES:	O(C3C(OC(OC2C(=CC(NC1C(OC(O)C(O)C1O)C)C(O)C2O)CO)C(O)C3O)CO)C5OC(C(OC4OC(CO)C(O)C(O)C4O)C(O)C5O)CO
InChi:	InChI=1S/C31H53NO23/c1-7-13(16(39)21(44)28(48)49-7)32-9-2-8(3-33)25(18(41)14(9)37)53-30-23(46)19(42)27(11(5-35)51-30)55-31-24(47)20(43)26(12(6-36)52-31)54-29-22(45)17(40)15(38)10(4-34)50-29/h2,7,9-48H,3-6H2,1H3/t7-,9+,10-,11-,12-,13-,14+,15-,16+,17+,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28+,29-,30-,31-/m1/s1
Definition date:	2007-09-04
Last modified:	2020-07-23
Identifier:	4,6-dideoxy-4-{[(1S,4R,5R,6S)-4-{[alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl]oxy}-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose

LAG

LAG
Name:	MALTOSYL-ALPHA (1,4)-(Z,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-PIPERIDIN-2-ONE OXIME
Formula:	C18 H32 N2 O15
SMILES:	O(C1C(O)C(O)C(=NO)NC1CO)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO
InChi:	InChI=1S/C18H32N2O15/c21-1-4-14(9(26)11(28)16(19-4)20-31)34-18-13(30)10(27)15(6(3-23)33-18)35-17-12(29)8(25)7(24)5(2-22)32-17/h4-15,17-18,21-31H,1-3H2,(H,19,20)/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,17-,18-/m1/s1
Synonyms:	MALTOSYL-ALPHA (1,4)-D-GLUCONHYDROXIMO-1,5-LACTAM
Definition date:	2004-08-05
Last modified:	2020-07-23
Identifier:	(2R,3R,4R,5S,6Z)-4,5-dihydroxy-6-(hydroxyimino)-2-(hydroxymethyl)piperidin-3-yl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside

P8E

P8E
Name:	5,7-diamino-3,5,7,9-tetradeoxy-L-glycero-alpha-L-manno-non-2-ulopyranosonic acid
Formula:	C9 H18 N2 O6
SMILES:	CC(O)C(C1OC(CC(C1N)O)(O)C(O)=O)N
InChi:	InChI=1S/C9H18N2O6/c1-3(12)5(10)7-6(11)4(13)2-9(16,17-7)8(14)15/h3-7,12-13,16H,2,10-11H2,1H3,(H,14,15)/t3-,4-,5-,6-,7-,9-/m0/s1
Definition date:	2020-06-01
Last modified:	2020-07-21
Release date:	2020-07-08
Identifier:	5,7-diamino-3,5,7,9-tetradeoxy-L-glycero-alpha-L-manno-non-2-ulopyranosonic acid

6LS

6LS
Name:	heptyl 2-deoxy-alpha-D-mannopyranoside
Formula:	C13 H26 O5
SMILES:	CCCCCCCO[CH]1C[CH](O)[CH](O)[CH](CO)O1
InChi:	InChI=1S/C13H26O5/c1-2-3-4-5-6-7-17-12-8-10(15)13(16)11(9-14)18-12/h10-16H,2-9H2,1H3/t10-,11-,12+,13+/m1/s1
Synonyms:	2-Deoxy-Heptylmannoside
Definition date:	2016-05-27
Last modified:	2020-07-18
Release date:	2017-06-21
Identifier:	(2~{R},3~{S},4~{R},6~{S})-6-heptoxy-2-(hydroxymethyl)oxane-3,4-diol

TWV

TWV
Name:	4-({3-[2-(dimethylamino)ethyl]-1H-indol-1-yl}methyl)-N-hydroxybenzamide
Formula:	C20 H23 N3 O2
SMILES:	c3n(Cc1ccc(cc1)C(NO)=O)c2c(cccc2)c3CCN(C)C
InChi:	InChI=1S/C20H23N3O2/c1-22(2)12-11-17-14-23(19-6-4-3-5-18(17)19)13-15-7-9-16(10-8-15)20(24)21-25/h3-10,14,25H,11-13H2,1-2H3,(H,21,24)
Definition date:	2020-04-02
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	4-({3-[2-(dimethylamino)ethyl]-1H-indol-1-yl}methyl)-N-hydroxybenzamide

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