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K8V

K8V
Name:	4-[(4-carboxybutanoyl)amino]benzene-1,2-dicarboxylic acid
Formula:	C13 H13 N O7
SMILES:	c1(NC(CCCC(=O)O)=O)ccc(c(c1)C(O)=O)C(O)=O
InChi:	InChI=1S/C13H13NO7/c15-10(2-1-3-11(16)17)14-7-4-5-8(12(18)19)9(6-7)13(20)21/h4-6H,1-3H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)
Definition date:	2018-11-09
Last modified:	2019-06-28
Release date:	2019-07-03
Identifier:	4-[(4-carboxybutanoyl)amino]benzene-1,2-dicarboxylic acid

K8Y

K8Y
Name:	4-[(3-carboxypropanoyl)amino]benzene-1,2-dicarboxylic acid
Formula:	C12 H11 N O7
SMILES:	c1c(cc(C(O)=O)c(C(O)=O)c1)NC(CCC(O)=O)=O
InChi:	InChI=1S/C12H11NO7/c14-9(3-4-10(15)16)13-6-1-2-7(11(17)18)8(5-6)12(19)20/h1-2,5H,3-4H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
Definition date:	2018-11-09
Last modified:	2019-06-28
Release date:	2019-07-03
Identifier:	4-[(3-carboxypropanoyl)amino]benzene-1,2-dicarboxylic acid

KAK

KAK
Name:	3'-deoxy-guanosine-5'-monophosphate
Formula:	C10 H14 N5 O7 P
SMILES:	NC1=NC(=O)c2ncn([CH]3O[CH](CO[P](O)(O)=O)C[CH]3O)c2N1
InChi:	InChI=1S/C10H14N5O7P/c11-10-13-7-6(8(17)14-10)12-3-15(7)9-5(16)1-4(22-9)2-21-23(18,19)20/h3-5,9,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,9+/m0/s1
Definition date:	2019-05-08
Last modified:	2019-06-28
Release date:	2019-07-03
Identifier:	[(2~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-4-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate

KFY

KFY
Name:	9-[(2E)-but-2-en-1-yl]-8-[(3,4,5-trimethoxyphenyl)methyl]-9H-purin-6-amine
Formula:	C19 H23 N5 O3
SMILES:	c12ncnc(c1nc(n2CC=CC)Cc3cc(OC)c(OC)c(c3)OC)N
InChi:	InChI=1S/C19H23N5O3/c1-5-6-7-24-15(23-16-18(20)21-11-22-19(16)24)10-12-8-13(25-2)17(27-4)14(9-12)26-3/h5-6,8-9,11H,7,10H2,1-4H3,(H2,20,21,22)/b6-5+
Definition date:	2018-12-03
Last modified:	2019-06-28
Release date:	2019-07-03
Identifier:	9-[(2E)-but-2-en-1-yl]-8-[(3,4,5-trimethoxyphenyl)methyl]-9H-purin-6-amine

MQJ

MQJ
Name:	2-fluoro-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide
Formula:	C17 H13 F N2 O3 S
SMILES:	C(=O)(c1ccccc1F)NNS(=O)(=O)c3cc2ccccc2cc3
InChi:	InChI=1S/C17H13FN2O3S/c18-16-8-4-3-7-15(16)17(21)19-20-24(22,23)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,20H,(H,19,21)
Definition date:	2019-04-10
Last modified:	2019-06-28
Release date:	2019-07-03
Identifier:	2-fluoro-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide

NBM

NBM
Name:	6-{[(4-nitrophenyl)methyl]sulfanyl}-9-beta-D-ribofuranosyl-9H-purine
Formula:	C17 H17 N5 O6 S
SMILES:	c1cc([N+](=O)[O-])ccc1CSc2ncnc3c2ncn3C4C(O)C(C(CO)O4)O
InChi:	InChI=1S/C17H17N5O6S/c23-5-11-13(24)14(25)17(28-11)21-8-20-12-15(21)18-7-19-16(12)29-6-9-1-3-10(4-2-9)22(26)27/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17-/m1/s1
Definition date:	2019-03-21
Last modified:	2019-06-28
Release date:	2019-07-03
Identifier:	6-{[(4-nitrophenyl)methyl]sulfanyl}-9-beta-D-ribofuranosyl-9H-purine

JJW

JJW
Name:	(2~{S},3~{S},4~{R})-2-[[4-[4-(2-ethoxyethoxy)phenyl]-1,2,3-triazol-1-yl]methyl]pyrrolidine-3,4-diol
Formula:	C17 H24 N4 O4
SMILES:	CCOCCOc1ccc(cc1)c2cn(C[CH]3NC[CH](O)[CH]3O)nn2
InChi:	InChI=1S/C17H24N4O4/c1-2-24-7-8-25-13-5-3-12(4-6-13)14-10-21(20-19-14)11-15-17(23)16(22)9-18-15/h3-6,10,15-18,22-23H,2,7-9,11H2,1H3/t15-,16+,17-/m0/s1
Definition date:	2019-03-06
Last modified:	2019-06-28
Release date:	2019-07-03
Identifier:	(2~{S},3~{S},4~{R})-2-[[4-[4-(2-ethoxyethoxy)phenyl]-1,2,3-triazol-1-yl]methyl]pyrrolidine-3,4-diol

JSK

JSK
Name:	(2~{S},3~{S},4~{R})-2-[[4-[4-[2-[2-(2-azanylidenehydrazinyl)ethoxy]ethoxy]phenyl]-1,2,3-triazol-1-yl]methyl]pyrrolidine-3,4-diol
Formula:	C17 H25 N7 O4
SMILES:	O[CH]1CN[CH](Cn2cc(nn2)c3ccc(OCCOCCNN=N)cc3)[CH]1O
InChi:	InChI=1S/C17H25N7O4/c18-22-20-5-6-27-7-8-28-13-3-1-12(2-4-13)14-10-24(23-21-14)11-15-17(26)16(25)9-19-15/h1-4,10,15-17,19,25-26H,5-9,11H2,(H2,18,20)/t15-,16+,17-/m0/s1
Definition date:	2019-03-22
Last modified:	2019-06-28
Release date:	2019-07-03
Identifier:	(2~{S},3~{S},4~{R})-2-[[4-[4-[2-[2-(2-azanylidenehydrazinyl)ethoxy]ethoxy]phenyl]-1,2,3-triazol-1-yl]methyl]pyrrolidine-3,4-diol

JTA

JTA
Name:	4-hydroxy-8-nitroquinoline-3-carboxylic acid
Formula:	C10 H6 N2 O5
SMILES:	c2cc(c1c(c(c(C(O)=O)cn1)O)c2)[N+](=O)[O-]
InChi:	InChI=1S/C10H6N2O5/c13-9-5-2-1-3-7(12(16)17)8(5)11-4-6(9)10(14)15/h1-4H,(H,11,13)(H,14,15)
Definition date:	2018-09-21
Last modified:	2019-06-28
Release date:	2019-07-03
Identifier:	4-hydroxy-8-nitroquinoline-3-carboxylic acid

NQJ

NQJ
Name:	methyl N-(5-{[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl}-4-methylthiophene-2-carbonyl)-D-phenylalaninate
Formula:	C23 H20 Cl F3 N2 O5 S2
SMILES:	COC(C(Cc1ccccc1)NC(c3cc(C)c(S(Nc2c(ccc(c2)C(F)(F)F)Cl)(=O)=O)s3)=O)=O
InChi:	InChI=1S/C23H20ClF3N2O5S2/c1-13-10-19(20(30)28-18(21(31)34-2)11-14-6-4-3-5-7-14)35-22(13)36(32,33)29-17-12-15(23(25,26)27)8-9-16(17)24/h3-10,12,18,29H,11H2,1-2H3,(H,28,30)/t18-/m1/s1
Definition date:	2019-05-24
Last modified:	2019-06-28
Release date:	2019-07-03
Identifier:	methyl N-(5-{[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl}-4-methylthiophene-2-carbonyl)-D-phenylalaninate

JUE

JUE
Name:	~{N}-[(1~{R})-1-(4-methoxyphenyl)-2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]-2-oxidanylidene-3~{H}-pyridine-5-carboxamide
Formula:	C24 H25 N3 O4
SMILES:	COc1ccc(cc1)[CH](NC(=O)C2=CCC(=O)N=C2)C(=O)Nc3ccc(cc3)C(C)C
InChi:	InChI=1S/C24H25N3O4/c1-15(2)16-4-9-19(10-5-16)26-24(30)22(17-6-11-20(31-3)12-7-17)27-23(29)18-8-13-21(28)25-14-18/h4-12,14-15,22H,13H2,1-3H3,(H,26,30)(H,27,29)/t22-/m1/s1
Definition date:	2019-03-28
Last modified:	2019-06-28
Release date:	2019-07-03
Identifier:	~{N}-[(1~{R})-1-(4-methoxyphenyl)-2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]-2-oxidanylidene-3~{H}-pyridine-5-carboxamide

JUH

JUH
Name:	(2~{R})-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-2-(2-phenylethanoylamino)ethanamide
Formula:	C27 H24 F6 N2 O5 S
SMILES:	CC[S](=O)(=O)c1ccc(cc1)[CH](NC(=O)Cc2ccccc2)C(=O)Nc3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F
InChi:	InChI=1S/C27H24F6N2O5S/c1-2-41(39,40)21-14-8-18(9-15-21)23(35-22(36)16-17-6-4-3-5-7-17)24(37)34-20-12-10-19(11-13-20)25(38,26(28,29)30)27(31,32)33/h3-15,23,38H,2,16H2,1H3,(H,34,37)(H,35,36)/t23-/m1/s1
Definition date:	2019-03-29
Last modified:	2019-06-28
Release date:	2019-07-03
Identifier:	(2~{R})-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-2-(2-phenylethanoylamino)ethanamide

JUN

JUN
Name:	(2~{R})-2-acetamido-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]ethanamide
Formula:	C21 H20 F6 N2 O5 S
SMILES:	CC[S](=O)(=O)c1ccc(cc1)[CH](NC(C)=O)C(=O)Nc2ccc(cc2)C(O)(C(F)(F)F)C(F)(F)F
InChi:	InChI=1S/C21H20F6N2O5S/c1-3-35(33,34)16-10-4-13(5-11-16)17(28-12(2)30)18(31)29-15-8-6-14(7-9-15)19(32,20(22,23)24)21(25,26)27/h4-11,17,32H,3H2,1-2H3,(H,28,30)(H,29,31)/t17-/m1/s1
Definition date:	2019-03-29
Last modified:	2019-06-28
Release date:	2019-07-03
Identifier:	(2~{R})-2-acetamido-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]ethanamide

JWH

JWH
Name:	2-(octanoylamino)benzoic acid
Formula:	C15 H21 N O3
SMILES:	CCCCCCCC(=O)Nc1ccccc1C(O)=O
InChi:	InChI=1S/C15H21NO3/c1-2-3-4-5-6-11-14(17)16-13-10-8-7-9-12(13)15(18)19/h7-10H,2-6,11H2,1H3,(H,16,17)(H,18,19)
Definition date:	2019-04-05
Last modified:	2019-06-28
Release date:	2019-07-03
Identifier:	2-(octanoylamino)benzoic acid

JWW

JWW
Name:	2-heptylquinoline-3,4-diol
Formula:	C16 H21 N O2
SMILES:	CCCCCCCc1nc2ccccc2c(O)c1O
InChi:	InChI=1S/C16H21NO2/c1-2-3-4-5-6-11-14-16(19)15(18)12-9-7-8-10-13(12)17-14/h7-10,19H,2-6,11H2,1H3,(H,17,18)
Definition date:	2019-04-09
Last modified:	2019-06-28
Release date:	2019-07-03
Identifier:	2-heptylquinoline-3,4-diol

K8K

K8K
Name:	~{N}-[(3~{S})-7,9-bis(fluoranyl)-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl]-3-(phenylmethyl)-1~{H}-1,2,4-triazole-5-carboxamide
Formula:	C20 H17 F2 N5 O2
SMILES:	Fc1cc(F)c2NC(=O)[CH](CCc2c1)NC(=O)c3[nH]nc(Cc4ccccc4)n3
InChi:	InChI=1S/C20H17F2N5O2/c21-13-9-12-6-7-15(19(28)25-17(12)14(22)10-13)23-20(29)18-24-16(26-27-18)8-11-4-2-1-3-5-11/h1-5,9-10,15H,6-8H2,(H,23,29)(H,25,28)(H,24,26,27)/t15-/m0/s1
Definition date:	2019-05-02
Last modified:	2019-06-28
Release date:	2019-07-03
Identifier:	~{N}-[(3~{S})-7,9-bis(fluoranyl)-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl]-3-(phenylmethyl)-1~{H}-1,2,4-triazole-5-carboxamide

ML7

ML7
Name:	N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide
Formula:	C19 H16 N2 O3 S
SMILES:	C(c1cccc(c1)c2ccccc2)(NNS(=O)(c3ccccc3)=O)=O
InChi:	InChI=1S/C19H16N2O3S/c22-19(20-21-25(23,24)18-12-5-2-6-13-18)17-11-7-10-16(14-17)15-8-3-1-4-9-15/h1-14,21H,(H,20,22)
Definition date:	2019-04-10
Last modified:	2019-06-28
Release date:	2019-07-03
Identifier:	N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide

MLS

MLS
Name:	2-fluoro-3-methyl-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide
Formula:	C18 H15 F N2 O3 S
SMILES:	c2(cc1ccccc1cc2)S(NNC(c3c(c(C)ccc3)F)=O)(=O)=O
InChi:	InChI=1S/C18H15FN2O3S/c1-12-5-4-8-16(17(12)19)18(22)20-21-25(23,24)15-10-9-13-6-2-3-7-14(13)11-15/h2-11,21H,1H3,(H,20,22)
Definition date:	2019-04-10
Last modified:	2019-06-28
Release date:	2019-07-03
Identifier:	2-fluoro-3-methyl-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide

MLV

MLV
Name:	2-fluoro-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide
Formula:	C19 H15 F N2 O3 S
SMILES:	C(c1cccc(c1F)c2ccccc2)(NNS(=O)(c3ccccc3)=O)=O
InChi:	InChI=1S/C19H15FN2O3S/c20-18-16(14-8-3-1-4-9-14)12-7-13-17(18)19(23)21-22-26(24,25)15-10-5-2-6-11-15/h1-13,22H,(H,21,23)
Definition date:	2019-04-10
Last modified:	2019-06-28
Release date:	2019-07-03
Identifier:	2-fluoro-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide

MNJ

MNJ
Name:	4-fluoro-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide
Formula:	C19 H15 F N2 O3 S
SMILES:	c1c(cccc1)c2ccc(F)c(c2)C(NNS(=O)(c3ccccc3)=O)=O
InChi:	InChI=1S/C19H15FN2O3S/c20-18-12-11-15(14-7-3-1-4-8-14)13-17(18)19(23)21-22-26(24,25)16-9-5-2-6-10-16/h1-13,22H,(H,21,23)
Definition date:	2019-04-10
Last modified:	2019-06-28
Release date:	2019-07-03
Identifier:	4-fluoro-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide

8DZ

8DZ
Name:	(1,4-diazepane-1,4-diyl)di(propane-3,1-diyl) bis(3,4,5-trimethoxybenzoate)
Formula:	C31 H44 N2 O10
SMILES:	COc3cc(C(OCCCN2CCCN(CCCOC(=O)c1cc(c(c(c1)OC)OC)OC)CC2)=O)cc(c3OC)OC
InChi:	InChI=1S/C31H44N2O10/c1-36-24-18-22(19-25(37-2)28(24)40-5)30(34)42-16-8-12-32-10-7-11-33(15-14-32)13-9-17-43-31(35)23-20-26(38-3)29(41-6)27(21-23)39-4/h18-21H,7-17H2,1-6H3
Definition date:	2019-03-21
Last modified:	2019-06-28
Release date:	2019-07-03
Identifier:	(1,4-diazepane-1,4-diyl)di(propane-3,1-diyl) bis(3,4,5-trimethoxybenzoate)

VX7

VX7
Name:	N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
Formula:	C24 H28 N2 O3
SMILES:	O=C2c1ccccc1NC=C2C(Nc3c(cc(c(c3)O)C(C)(C)C)C(C)(C)C)=O
InChi:	InChI=1S/C24H28N2O3/c1-23(2,3)16-11-17(24(4,5)6)20(27)12-19(16)26-22(29)15-13-25-18-10-8-7-9-14(18)21(15)28/h7-13,27H,1-6H3,(H,25,28)(H,26,29)
Definition date:	2019-02-25
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide

AFU

AFU
Name:	2-amino-5-[3-(piperazin-1-yl)phenyl]-N-(pyridin-4-yl)pyridine-3-carboxamide
Formula:	C21 H22 N6 O
SMILES:	c1cc(ccn1)NC(=O)c2c(N)ncc(c2)c3cccc(c3)N4CCNCC4
InChi:	InChI=1S/C21H22N6O/c22-20-19(21(28)26-17-4-6-23-7-5-17)13-16(14-25-20)15-2-1-3-18(12-15)27-10-8-24-9-11-27/h1-7,12-14,24H,8-11H2,(H2,22,25)(H,23,26,28)
Definition date:	2018-11-01
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	2-amino-5-[3-(piperazin-1-yl)phenyl]-N-(pyridin-4-yl)pyridine-3-carboxamide

HT8

HT8
Name:	(5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-2-naphthalen-2-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one
Formula:	C18 H18 N2 O6
SMILES:	OC[CH]1O[C]2(N=C(NC2=O)c3ccc4ccccc4c3)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C18H18N2O6/c21-8-12-13(22)14(23)15(24)18(26-12)17(25)19-16(20-18)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-15,21-24H,8H2,(H,19,20,25)/t12-,13-,14+,15-,18+/m1/s1
Definition date:	2018-12-18
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	(5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-2-naphthalen-2-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one

HTE

HTE
Name:	(5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-8,9,10-tris(oxidanyl)-2-phenyl-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one
Formula:	C14 H16 N2 O6
SMILES:	OC[CH]1O[C]2(N=C(NC2=O)c3ccccc3)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C14H16N2O6/c17-6-8-9(18)10(19)11(20)14(22-8)13(21)15-12(16-14)7-4-2-1-3-5-7/h1-5,8-11,17-20H,6H2,(H,15,16,21)/t8-,9-,10+,11-,14+/m1/s1
Definition date:	2018-12-19
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	(5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-8,9,10-tris(oxidanyl)-2-phenyl-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one

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