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EKT

EKT
Name:	2-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]amino]-5,7,7-trimethyl-8-(3-methylbutyl)pteridin-6-one
Formula:	C20 H25 F2 N5 O2
SMILES:	CC(C)CCN1c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(C)C(=O)C1(C)C
InChi:	InChI=1S/C20H25F2N5O2/c1-11(2)6-7-27-17-15(26(5)18(29)20(27,3)4)10-23-19(25-17)24-12-8-13(21)16(28)14(22)9-12/h8-11,28H,6-7H2,1-5H3,(H,23,24,25)
Definition date:	2018-03-26
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	2-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]amino]-5,7,7-trimethyl-8-(3-methylbutyl)pteridin-6-one

F1B

F1B
Name:	(3~{Z})-5-ethanoyl-3-[[(1-methylpiperidin-4-yl)amino]-phenyl-methylidene]-1~{H}-indol-2-one
Formula:	C23 H25 N3 O2
SMILES:	CN1CCC(CC1)NC(c2ccccc2)=C3C(=O)Nc4ccc(cc34)C(C)=O
InChi:	InChI=1S/C23H25N3O2/c1-15(27)17-8-9-20-19(14-17)21(23(28)25-20)22(16-6-4-3-5-7-16)24-18-10-12-26(2)13-11-18/h3-9,14,18,24H,10-13H2,1-2H3,(H,25,28)/b22-21-
Definition date:	2018-05-16
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	(3~{Z})-5-ethanoyl-3-[[(1-methylpiperidin-4-yl)amino]-phenyl-methylidene]-1~{H}-indol-2-one

Z3P

Z3P
Name:	3,3',3''-phosphoryltripropanoic acid
Formula:	C9 H15 O7 P
SMILES:	O=C(O)CCP(=O)(CCC(=O)O)CCC(=O)O
InChi:	InChI=1S/C9H15O7P/c10-7(11)1-4-17(16,5-2-8(12)13)6-3-9(14)15/h1-6H2,(H,10,11)(H,12,13)(H,14,15)
Definition date:	2016-05-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	3,3',3''-phosphoryltripropanoic acid

HHT

HHT
Name:	2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid
Formula:	C9 H9 Br O3
SMILES:	COc1cc(Br)ccc1CC(O)=O
InChi:	InChI=1S/C9H9BrO3/c1-13-8-5-7(10)3-2-6(8)4-9(11)12/h2-3,5H,4H2,1H3,(H,11,12)
Definition date:	2018-12-06
Last modified:	2019-03-15
Release date:	2019-03-20
Identifier:	2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid

HHW

HHW
Name:	(~{E})-3-[3-[(4-chlorophenyl)carbamoyl]phenyl]prop-2-enoic acid
Formula:	C16 H12 Cl N O3
SMILES:	OC(=O)C=Cc1cccc(c1)C(=O)Nc2ccc(Cl)cc2
InChi:	InChI=1S/C16H12ClNO3/c17-13-5-7-14(8-6-13)18-16(21)12-3-1-2-11(10-12)4-9-15(19)20/h1-10H,(H,18,21)(H,19,20)/b9-4+
Definition date:	2018-12-06
Last modified:	2019-03-15
Release date:	2019-03-20
Identifier:	(~{E})-3-[3-[(4-chlorophenyl)carbamoyl]phenyl]prop-2-enoic acid

HJK

HJK
Name:	2-[3-(2-azanyl-9~{H}-purin-6-yl)phenyl]ethanoic acid
Formula:	C13 H11 N5 O2
SMILES:	Nc1nc2[nH]cnc2c(n1)c3cccc(CC(O)=O)c3
InChi:	InChI=1S/C13H11N5O2/c14-13-17-10(11-12(18-13)16-6-15-11)8-3-1-2-7(4-8)5-9(19)20/h1-4,6H,5H2,(H,19,20)(H3,14,15,16,17,18)
Definition date:	2018-12-10
Last modified:	2019-03-15
Release date:	2019-03-20
Identifier:	2-[3-(2-azanyl-9~{H}-purin-6-yl)phenyl]ethanoic acid

HQG

HQG
Name:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate
Formula:	C15 H24 N5 O17 P3
SMILES:	C2(C(C(C(COP(O)(=O)OP(O)(=O)OCC1C(C(C(OP(=O)(O)O)O1)O)O)O2)O)O)n3c4c(nc3)c(ncn4)N
InChi:	InChI=1S/C15H24N5O17P3/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(34-14)1-32-39(28,29)37-40(30,31)33-2-6-9(22)11(24)15(35-6)36-38(25,26)27/h3-6,8-11,14-15,21-24H,1-2H2,(H,28,29)(H,30,31)(H2,16,17,18)(H2,25,26,27)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1
Definition date:	2018-07-16
Last modified:	2019-03-15
Release date:	2019-03-20
Identifier:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-3,4-dihydroxy-5-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)

G4K

G4K
Name:	Borussertib
Formula:	C36 H34 N6 O3
SMILES:	CCC(=O)Nc1ccc2NC(=O)N(C3CCN(CC3)Cc4ccc(cc4)c5nc6C=CNC(=O)c6cc5c7ccccc7)c2c1
InChi:	InChI=1S/C36H34N6O3/c1-2-33(43)38-26-12-13-31-32(20-26)42(36(45)40-31)27-15-18-41(19-16-27)22-23-8-10-25(11-9-23)34-28(24-6-4-3-5-7-24)21-29-30(39-34)14-17-37-35(29)44/h3-14,17,20-21,27H,2,15-16,18-19,22H2,1H3,(H,37,44)(H,38,43)(H,40,45)
Definition date:	2018-08-28
Last modified:	2019-03-15
Release date:	2019-03-20
Identifier:	~{N}-[2-oxidanylidene-3-[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-1~{H}-benzimidazol-5-yl]propanamide

G7J

G7J
Name:	5-hydroxy-1,2-dihydro-6H-indol-6-one
Formula:	C8 H7 N O2
SMILES:	N1CC=C2C=C(O)C(C=C12)=O
InChi:	InChI=1S/C8H7NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h1,3-4,9-10H,2H2
Definition date:	2018-05-11
Last modified:	2019-03-15
Release date:	2019-03-20
Identifier:	5-hydroxy-1,2-dihydro-6H-indol-6-one

KVD

KVD
Name:	5-(phenylethynyl)pyridine-3-carboxylic acid
Formula:	C14 H9 N O2
SMILES:	c1(ccccc1)C#Cc2cncc(C(O)=O)c2
InChi:	InChI=1S/C14H9NO2/c16-14(17)13-8-12(9-15-10-13)7-6-11-4-2-1-3-5-11/h1-5,8-10H,(H,16,17)
Definition date:	2019-01-18
Last modified:	2019-03-15
Release date:	2019-03-20
Identifier:	5-(phenylethynyl)pyridine-3-carboxylic acid

KW1

KW1
Name:	({2-[(4-bromo-5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl}sulfanyl)acetic acid
Formula:	C8 H9 Br N2 O4 S
SMILES:	C(SCC(O)=O)C(Nc1c(c(C)on1)Br)=O
InChi:	InChI=1S/C8H9BrN2O4S/c1-4-7(9)8(11-15-4)10-5(12)2-16-3-6(13)14/h2-3H2,1H3,(H,13,14)(H,10,11,12)
Definition date:	2019-01-18
Last modified:	2019-03-15
Release date:	2019-03-20
Identifier:	({2-[(4-bromo-5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl}sulfanyl)acetic acid

KWG

KWG
Name:	3-(phenylethynyl)-2-(1H-pyrrol-1-yl)benzoic acid
Formula:	C19 H13 N O2
SMILES:	c3c(C#Cc1cccc(C(O)=O)c1n2cccc2)cccc3
InChi:	InChI=1S/C19H13NO2/c21-19(22)17-10-6-9-16(18(17)20-13-4-5-14-20)12-11-15-7-2-1-3-8-15/h1-10,13-14H,(H,21,22)
Definition date:	2019-01-21
Last modified:	2019-03-15
Release date:	2019-03-20
Identifier:	3-(phenylethynyl)-2-(1H-pyrrol-1-yl)benzoic acid

GZ8

GZ8
Name:	4-mercaptoidenecyclohexa-2,5-diene-1,2-dicarboxylic acid
Formula:	C8 H6 O4 S
SMILES:	OC(=O)[CH]1C=CC(=S)C=C1C(O)=O
InChi:	InChI=1S/C8H6O4S/c9-7(10)5-2-1-4(13)3-6(5)8(11)12/h1-3,5H,(H,9,10)(H,11,12)/t5-/m1/s1
Definition date:	2018-10-26
Last modified:	2019-03-15
Release date:	2019-03-20
Identifier:	4-sulfanylidenecyclohexa-2,5-diene-1,2-dicarboxylic acid

H2E

H2E
Name:	2-morpholin-4-yl-6-[7-[(2~{R})-1-morpholin-4-ylpropan-2-yl]oxy-9~{H}-thioxanthen-4-yl]pyran-4-one
Formula:	C29 H32 N2 O5 S
SMILES:	C[CH](CN1CCOCC1)Oc2ccc3Sc4c(Cc3c2)cccc4C5=CC(=O)C=C(O5)N6CCOCC6
InChi:	InChI=1S/C29H32N2O5S/c1-20(19-30-7-11-33-12-8-30)35-24-5-6-27-22(16-24)15-21-3-2-4-25(29(21)37-27)26-17-23(32)18-28(36-26)31-9-13-34-14-10-31/h2-6,16-18,20H,7-15,19H2,1H3/t20-/m1/s1
Definition date:	2018-11-08
Last modified:	2019-03-15
Release date:	2019-03-20
Identifier:	2-morpholin-4-yl-6-[7-[(2~{R})-1-morpholin-4-ylpropan-2-yl]oxy-9~{H}-thioxanthen-4-yl]pyran-4-one

OS2

OS2
Name:	(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(prop-2-yn-1-yl)sulfanyl]methyl}pyrrolidin-3-ol
Formula:	C15 H19 N5 O S
SMILES:	OC3CN(Cc2c1ncnc(c1nc2)N)CC3CSCC#C
InChi:	InChI=1S/C15H19N5OS/c1-2-3-22-8-11-6-20(7-12(11)21)5-10-4-17-14-13(10)18-9-19-15(14)16/h1,4,9,11-12,17,21H,3,5-8H2,(H2,16,18,19)/t11-,12+/m1/s1
Definition date:	2018-07-03
Last modified:	2019-03-15
Release date:	2019-03-20
Identifier:	(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(prop-2-yn-1-yl)sulfanyl]methyl}pyrrolidin-3-ol

OS3

OS3
Name:	(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(pent-4-yn-1-yl)sulfanyl]methyl}pyrrolidin-3-ol
Formula:	C17 H23 N5 O S
SMILES:	Nc1c2ncc(c2ncn1)CN3CC(O)C(C3)CSCCCC#C
InChi:	InChI=1S/C17H23N5OS/c1-2-3-4-5-24-10-13-8-22(9-14(13)23)7-12-6-19-16-15(12)20-11-21-17(16)18/h1,6,11,13-14,19,23H,3-5,7-10H2,(H2,18,20,21)/t13-,14+/m1/s1
Definition date:	2018-07-03
Last modified:	2019-03-15
Release date:	2019-03-20
Identifier:	(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(pent-4-yn-1-yl)sulfanyl]methyl}pyrrolidin-3-ol

OS5

OS5
Name:	(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-benzyl-1H-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol
Formula:	C24 H30 N8 O S
SMILES:	OC3CN(Cc1cnc2c1ncnc2N)CC3CSCCCc4nnn(c4)Cc5ccccc5
InChi:	InChI=1S/C24H30N8OS/c25-24-23-22(27-16-28-24)18(9-26-23)11-31-12-19(21(33)14-31)15-34-8-4-7-20-13-32(30-29-20)10-17-5-2-1-3-6-17/h1-3,5-6,9,13,16,19,21,26,33H,4,7-8,10-12,14-15H2,(H2,25,27,28)/t19-,21+/m1/s1
Definition date:	2018-07-03
Last modified:	2019-03-15
Release date:	2019-03-20
Identifier:	(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-benzyl-1H-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol

OS6

OS6
Name:	(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-butyl-1H-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol
Formula:	C21 H32 N8 O S
SMILES:	OC1C(CN(C1)Cc3c2ncnc(N)c2nc3)CSCCCc4cn(nn4)CCCC
InChi:	InChI=1S/C21H32N8OS/c1-2-3-6-29-11-17(26-27-29)5-4-7-31-13-16-10-28(12-18(16)30)9-15-8-23-20-19(15)24-14-25-21(20)22/h8,11,14,16,18,23,30H,2-7,9-10,12-13H2,1H3,(H2,22,24,25)/t16-,18+/m1/s1
Definition date:	2018-07-03
Last modified:	2019-03-15
Release date:	2019-03-20
Identifier:	(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-butyl-1H-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol

GMQ

GMQ
Name:	6-~{tert}-butyl-8-fluoranyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[(5-morpholin-4-ylcarbonylpyridin-2-yl)amino]-6-oxidanylidene-pyridazin-3-yl]phenyl]phthalazin-1-one
Formula:	C34 H34 F N7 O5
SMILES:	CN1N=C(C=C(Nc2ccc(cn2)C(=O)N3CCOCC3)C1=O)c4cccc(N5N=Cc6cc(cc(F)c6C5=O)C(C)(C)C)c4CO
InChi:	InChI=1S/C34H34FN7O5/c1-34(2,3)22-14-21-18-37-42(33(46)30(21)25(35)15-22)28-7-5-6-23(24(28)19-43)26-16-27(32(45)40(4)39-26)38-29-9-8-20(17-36-29)31(44)41-10-12-47-13-11-41/h5-9,14-18,43H,10-13,19H2,1-4H3,(H,36,38)
Definition date:	2018-09-28
Last modified:	2019-03-15
Release date:	2019-03-20
Identifier:	6-~{tert}-butyl-8-fluoranyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[(5-morpholin-4-ylcarbonylpyridin-2-yl)amino]-6-oxidanylidene-pyridazin-3-yl]phenyl]phthalazin-1-one

GMW

GMW
Name:	(9~{S})-12-(6-~{tert}-butyl-8-fluoranyl-1-oxidanylidene-phthalazin-2-yl)-6-methyl-4-[(5-morpholin-4-ylcarbonylpyridin-2-yl)amino]-9-oxidanyl-6-azatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,11,13-pentaen-5-one
Formula:	C37 H37 F N6 O5
SMILES:	CN1C(=O)C(=CC2=C1C[CH](O)Cc3c(cccc23)N4N=Cc5cc(cc(F)c5C4=O)C(C)(C)C)Nc6ccc(cn6)C(=O)N7CCOCC7
InChi:	InChI=1S/C37H37FN6O5/c1-37(2,3)23-14-22-20-40-44(36(48)33(22)28(38)15-23)30-7-5-6-25-26(30)16-24(45)17-31-27(25)18-29(35(47)42(31)4)41-32-9-8-21(19-39-32)34(46)43-10-12-49-13-11-43/h5-9,14-15,18-20,24,45H,10-13,16-17H2,1-4H3,(H,39,41)/t24-/m0/s1
Definition date:	2018-09-28
Last modified:	2019-03-15
Release date:	2019-03-20
Identifier:	(9~{S})-12-(6-~{tert}-butyl-8-fluoranyl-1-oxidanylidene-phthalazin-2-yl)-6-methyl-4-[(5-morpholin-4-ylcarbonylpyridin-2-yl)amino]-9-oxidanyl-6-azatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,11,13-pentaen-5-one

KQY

KQY
Name:	6-aminohexanamide
Formula:	C6 H14 N2 O
SMILES:	O=C(CCCCCN)N
InChi:	InChI=1S/C6H14N2O/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H2,8,9)
Definition date:	2019-01-08
Last modified:	2019-03-15
Release date:	2019-03-20
Identifier:	6-aminohexanamide

QAS

QAS
Name:	6-mercaptopyridine-2,3-dicarboxylic acid
Formula:	C7 H5 N O4 S
SMILES:	OC(=O)c1ccc(S)nc1C(O)=O
InChi:	InChI=1S/C7H5NO4S/c9-6(10)3-1-2-4(13)8-5(3)7(11)12/h1-2H,(H,8,13)(H,9,10)(H,11,12)
Definition date:	2018-10-26
Last modified:	2019-03-15
Release date:	2019-03-20
Identifier:	6-sulfanylpyridine-2,3-dicarboxylic acid

QAT

QAT
Name:	5-mercaptopyridine-2,3-dicarboxylic acid
Formula:	C7 H5 N O4 S
SMILES:	OC(=O)C1=C(N=CC(=S)C1)C(O)=O
InChi:	InChI=1S/C7H5NO4S/c9-6(10)4-1-3(13)2-8-5(4)7(11)12/h2H,1H2,(H,9,10)(H,11,12)
Definition date:	2018-10-29
Last modified:	2019-03-15
Release date:	2019-03-20
Identifier:	5-sulfanylidene-4~{H}-pyridine-2,3-dicarboxylic acid

9TO

9TO
Name:	N-(4-methoxyphenyl)-4-[3-(pyridin-3-yl)-1H-pyrazol-4-yl]pyrimidin-2-amine
Formula:	C19 H16 N6 O
SMILES:	c1ncccc1c4c(c3ccnc(Nc2ccc(OC)cc2)n3)cnn4
InChi:	InChI=1S/C19H16N6O/c1-26-15-6-4-14(5-7-15)23-19-21-10-8-17(24-19)16-12-22-25-18(16)13-3-2-9-20-11-13/h2-12H,1H3,(H,22,25)(H,21,23,24)
Definition date:	2018-07-30
Last modified:	2019-03-15
Release date:	2019-03-20
Identifier:	N-(4-methoxyphenyl)-4-[3-(pyridin-3-yl)-1H-pyrazol-4-yl]pyrimidin-2-amine

9Z3

9Z3
Name:	N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl-L-cysteine
Formula:	C12 H23 N2 O9 P S
SMILES:	C(=O)(C(C(C)(COP(O)(O)=O)C)O)NCCC(=O)NC(C(O)=O)CS
InChi:	InChI=1S/C12H23N2O9PS/c1-12(2,6-23-24(20,21)22)9(16)10(17)13-4-3-8(15)14-7(5-25)11(18)19/h7,9,16,25H,3-6H2,1-2H3,(H,13,17)(H,14,15)(H,18,19)(H2,20,21,22)/t7-,9-/m0/s1
Definition date:	2018-08-31
Last modified:	2019-03-15
Release date:	2019-03-20
Identifier:	N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl-L-cysteine

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