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AFK

AFK
Name:	[3-chloranyl-4-(2-methoxy-5-methyl-phenyl)phenyl]methanamine
Formula:	C15 H16 Cl N O
SMILES:	COc1ccc(C)cc1c2ccc(CN)cc2Cl
InChi:	InChI=1S/C15H16ClNO/c1-10-3-6-15(18-2)13(7-10)12-5-4-11(9-17)8-14(12)16/h3-8H,9,17H2,1-2H3
Definition date:	2017-08-18
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	[3-chloranyl-4-(2-methoxy-5-methyl-phenyl)phenyl]methanamine

AFW

AFW
Name:	[3-chloranyl-4-[2-methoxy-5-(trifluoromethyl)phenyl]phenyl]methanamine
Formula:	C15 H13 Cl F3 N O
SMILES:	COc1ccc(cc1c2ccc(CN)cc2Cl)C(F)(F)F
InChi:	InChI=1S/C15H13ClF3NO/c1-21-14-5-3-10(15(17,18)19)7-12(14)11-4-2-9(8-20)6-13(11)16/h2-7H,8,20H2,1H3
Definition date:	2017-08-18
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	[3-chloranyl-4-[2-methoxy-5-(trifluoromethyl)phenyl]phenyl]methanamine

AO8

AO8
Name:	[2-[[2-(isoquinolin-5-ylsulfonylamino)ethylamino]methyl]phenyl]boronic acid
Formula:	C18 H20 B N3 O4 S
SMILES:	OB(O)c1ccccc1CNCCN[S](=O)(=O)c2cccc3cnccc23
InChi:	InChI=1S/C18H20BN3O4S/c23-19(24)17-6-2-1-4-15(17)13-21-10-11-22-27(25,26)18-7-3-5-14-12-20-9-8-16(14)18/h1-9,12,21-24H,10-11,13H2
Definition date:	2017-08-22
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	[2-[[2-(isoquinolin-5-ylsulfonylamino)ethylamino]methyl]phenyl]boronic acid

E0J

E0J
Name:	2-[(4-methoxy-2-methylphenoxy)methyl]pyridine
Formula:	C14 H15 N O2
SMILES:	c1(ccc(c(C)c1)OCc2ccccn2)OC
InChi:	InChI=1S/C14H15NO2/c1-11-9-13(16-2)6-7-14(11)17-10-12-5-3-4-8-15-12/h3-9H,10H2,1-2H3
Definition date:	2017-11-20
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	2-[(4-methoxy-2-methylphenoxy)methyl]pyridine

E9S

E9S
Name:	(2Z)-4-(2-bromo-3-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid
Formula:	C10 H7 Br O5
SMILES:	c1ccc(c(c1C([C@H]=C(C(O)=O)O)=O)Br)O
InChi:	InChI=1S/C10H7BrO5/c11-9-5(2-1-3-6(9)12)7(13)4-8(14)10(15)16/h1-4,12,14H,(H,15,16)/b8-4-
Definition date:	2017-12-14
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	(2Z)-4-(2-bromo-3-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid

EEK

EEK
Name:	~{N}-(3,4-dichlorophenyl)-~{N}'-oxidanyl-propanediamide
Formula:	C9 H8 Cl2 N2 O3
SMILES:	ONC(=O)CC(=O)Nc1ccc(Cl)c(Cl)c1
InChi:	InChI=1S/C9H8Cl2N2O3/c10-6-2-1-5(3-7(6)11)12-8(14)4-9(15)13-16/h1-3,16H,4H2,(H,12,14)(H,13,15)
Definition date:	2018-03-15
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	~{N}-(3,4-dichlorophenyl)-~{N}'-oxidanyl-propanediamide

EHV

EHV
Name:	(2S)-4-(2-bromo-6-methylphenyl)-2-hydroxy-4-oxobutanoic acid
Formula:	C11 H11 Br O4
SMILES:	Cc1cccc(c1C(CC(C(O)=O)O)=O)Br
InChi:	InChI=1S/C11H11BrO4/c1-6-3-2-4-7(12)10(6)8(13)5-9(14)11(15)16/h2-4,9,14H,5H2,1H3,(H,15,16)/t9-/m0/s1
Definition date:	2018-01-11
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	(2S)-4-(2-bromo-6-methylphenyl)-2-hydroxy-4-oxobutanoic acid

EM8

EM8
Name:	(3~{R})-3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]butanoic acid
Formula:	C20 H17 F3 N2 O4
SMILES:	C[CH](CC(O)=O)c1cccc(c1)n2c(cc3ccc(OC(F)(F)F)cc23)C(N)=O
InChi:	InChI=1S/C20H17F3N2O4/c1-11(7-18(26)27)12-3-2-4-14(8-12)25-16-10-15(29-20(21,22)23)6-5-13(16)9-17(25)19(24)28/h2-6,8-11H,7H2,1H3,(H2,24,28)(H,26,27)/t11-/m1/s1
Definition date:	2018-03-29
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	(3~{R})-3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]butanoic acid

ENG

ENG
Name:	(2Z)-4-(2-bromo-4-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid
Formula:	C10 H7 Br O5
SMILES:	c1cc(O)cc(c1C([C@H]=C(C(O)=O)O)=O)Br
InChi:	InChI=1S/C10H7BrO5/c11-7-3-5(12)1-2-6(7)8(13)4-9(14)10(15)16/h1-4,12,14H,(H,15,16)/b9-4-
Definition date:	2018-01-23
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	(2Z)-4-(2-bromo-4-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid

EQ2

EQ2
Name:	1-ethanoyl-9~{H}-pyrido[3,4-b]indole-3-carboxylic acid
Formula:	C14 H10 N2 O3
SMILES:	CC(=O)c1nc(cc2c1[nH]c3ccccc23)C(O)=O
InChi:	InChI=1S/C14H10N2O3/c1-7(17)12-13-9(6-11(16-12)14(18)19)8-4-2-3-5-10(8)15-13/h2-6,15H,1H3,(H,18,19)
Definition date:	2018-04-07
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	1-ethanoyl-9~{H}-pyrido[3,4-b]indole-3-carboxylic acid

EQA

EQA
Name:	(2Z)-4-(2-fluorophenyl)-2-hydroxy-4-oxobut-2-enoic acid
Formula:	C10 H7 F O4
SMILES:	c1cccc(c1C([C@H]=C(C(O)=O)O)=O)F
InChi:	InChI=1S/C10H7FO4/c11-7-4-2-1-3-6(7)8(12)5-9(13)10(14)15/h1-5,13H,(H,14,15)/b9-5-
Definition date:	2018-01-26
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	(2Z)-4-(2-fluorophenyl)-2-hydroxy-4-oxobut-2-enoic acid

EQJ

EQJ
Name:	(E)-N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-arginine
Formula:	C14 H22 N5 O7 P
SMILES:	Cc1ncc(COP(O)(=O)O)c(C=NC(CCCNC(N)=N)C(=O)O)c1O
InChi:	InChI=1S/C14H22N5O7P/c1-8-12(20)10(9(5-18-8)7-26-27(23,24)25)6-19-11(13(21)22)3-2-4-17-14(15)16/h5-6,11,20H,2-4,7H2,1H3,(H,21,22)(H4,15,16,17)(H2,23,24,25)/b19-6+/t11-/m0/s1
Definition date:	2018-01-28
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	(E)-N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-arginine

AT8

AT8
Name:	2-[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]-~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]ethanamine
Formula:	C24 H22 Cl3 N3
SMILES:	CCc1ccccc1c2ccc(CNCCc3[nH]c4cc(Cl)c(Cl)cc4n3)cc2Cl
InChi:	InChI=1S/C24H22Cl3N3/c1-2-16-5-3-4-6-17(16)18-8-7-15(11-19(18)25)14-28-10-9-24-29-22-12-20(26)21(27)13-23(22)30-24/h3-8,11-13,28H,2,9-10,14H2,1H3,(H,29,30)
Definition date:	2017-08-22
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	2-[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]-~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]ethanamine

AU2

AU2
Name:	2-(1~{H}-benzimidazol-2-yl)ethyl-[[3,5-bis(chloranyl)-4-phenyl-phenyl]methyl]azanium
Formula:	C22 H20 Cl2 N3
SMILES:	Clc1cc(C[NH2+]CCc2[nH]c3ccccc3n2)cc(Cl)c1c4ccccc4
InChi:	InChI=1S/C22H19Cl2N3/c23-17-12-15(13-18(24)22(17)16-6-2-1-3-7-16)14-25-11-10-21-26-19-8-4-5-9-20(19)27-21/h1-9,12-13,25H,10-11,14H2,(H,26,27)/p+1
Definition date:	2017-08-22
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	2-(1~{H}-benzimidazol-2-yl)ethyl-[[3,5-bis(chloranyl)-4-phenyl-phenyl]methyl]azanium

EWS

EWS
Name:	(2R,4S)-4-[(5-bromo-1H-indole-3-carbonyl)amino]-2-[(4-chlorophenyl)methyl]piperidin-1-ium
Formula:	C21 H22 Br Cl N3 O
SMILES:	C3(NC(=O)c1c2cc(ccc2nc1)Br)CC([NH2+]CC3)Cc4ccc(cc4)Cl
InChi:	InChI=1S/C21H21BrClN3O/c22-14-3-6-20-18(10-14)19(12-25-20)21(27)26-16-7-8-24-17(11-16)9-13-1-4-15(23)5-2-13/h1-6,10,12,16-17,24-25H,7-9,11H2,(H,26,27)/p+1/t16-,17+/m0/s1
Definition date:	2018-02-07
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	(2R,4S)-4-[(5-bromo-1H-indole-3-carbonyl)amino]-2-[(4-chlorophenyl)methyl]piperidin-1-ium

F7J

F7J
Name:	3-cyano-N-{3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethyl-1H-indol-5-yl}benzamide
Formula:	C29 H32 N4 O2
SMILES:	N(C(c1cccc(c1)C#N)=O)c5ccc2c(c(cn2C)C4CCN(C(C3CCCC3)=O)CC4)c5C
InChi:	InChI=1S/C29H32N4O2/c1-19-25(31-28(34)23-9-5-6-20(16-23)17-30)10-11-26-27(19)24(18-32(26)2)21-12-14-33(15-13-21)29(35)22-7-3-4-8-22/h5-6,9-11,16,18,21-22H,3-4,7-8,12-15H2,1-2H3,(H,31,34)
Definition date:	2018-03-08
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	3-cyano-N-{3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethyl-1H-indol-5-yl}benzamide

F7M

F7M
Name:	4-cyano-N-{3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methyl-1H-indol-5-yl}pyridine-2-carboxamide
Formula:	C28 H31 N5 O2
SMILES:	c1n(c4c(c1C3CCN(C(C2CCCCC2)=O)CC3)cc(cc4)NC(=O)c5cc(ccn5)C#N)C
InChi:	InChI=1S/C28H31N5O2/c1-32-18-24(20-10-13-33(14-11-20)28(35)21-5-3-2-4-6-21)23-16-22(7-8-26(23)32)31-27(34)25-15-19(17-29)9-12-30-25/h7-9,12,15-16,18,20-21H,2-6,10-11,13-14H2,1H3,(H,31,34)
Definition date:	2018-03-08
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	4-cyano-N-{3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methyl-1H-indol-5-yl}pyridine-2-carboxamide

FK8

FK8
Name:	(phenylmethyl) carbamate
Formula:	C8 H9 N O2
SMILES:	NC(=O)OCc1ccccc1
InChi:	InChI=1S/C8H9NO2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)
Definition date:	2018-07-16
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	(phenylmethyl) carbamate

FUS

FUS
Name:	sulfuric diamide
Formula:	H4 N2 O2 S
SMILES:	NS(=O)(=O)N
InChi:	InChI=1S/H4N2O2S/c1-5(2,3)4/h(H4,1,2,3,4)
Definition date:	2018-04-18
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	sulfuric diamide

FV9

FV9
Name:	{[(2-{3-[(4-fluorobenzene-1-carbonyl)amino]phenyl}thieno[2,3-d]pyrimidin-4-yl)amino]methylene}bis(phosphonic acid)
Formula:	C20 H17 F N4 O7 P2 S
SMILES:	OP(O)(=O)C(P(O)(O)=O)Nc2c1c(scc1)nc(n2)c3cc(ccc3)NC(c4ccc(F)cc4)=O
InChi:	InChI=1S/C20H17FN4O7P2S/c21-13-6-4-11(5-7-13)18(26)22-14-3-1-2-12(10-14)16-23-17(15-8-9-35-19(15)24-16)25-20(33(27,28)29)34(30,31)32/h1-10,20H,(H,22,26)(H,23,24,25)(H2,27,28,29)(H2,30,31,32)
Definition date:	2018-01-16
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	{[(2-{3-[(4-fluorobenzene-1-carbonyl)amino]phenyl}thieno[2,3-d]pyrimidin-4-yl)amino]methylene}bis(phosphonic acid)

FZM

FZM
Name:	2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
Formula:	C12 H12 N2
SMILES:	c1cccc(c1)c2nc3n(c2)CCC3
InChi:	InChI=1S/C12H12N2/c1-2-5-10(6-3-1)11-9-14-8-4-7-12(14)13-11/h1-3,5-6,9H,4,7-8H2
Definition date:	2018-05-01
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

G1Y

G1Y
Name:	N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}benzamide
Formula:	C20 H19 N3 O
SMILES:	O=C(NCc1cccc(c1)c3cn2c(CCC2)n3)c4ccccc4
InChi:	InChI=1S/C20H19N3O/c24-20(16-7-2-1-3-8-16)21-13-15-6-4-9-17(12-15)18-14-23-11-5-10-19(23)22-18/h1-4,6-9,12,14H,5,10-11,13H2,(H,21,24)
Definition date:	2018-05-02
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}benzamide

G2J

G2J
Name:	N-(cyclopropylmethyl)-N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}-3-methoxybenzamide
Formula:	C25 H27 N3 O2
SMILES:	O=C(N(CC1CC1)Cc4cccc(c3cn2CCCc2n3)c4)c5cccc(c5)OC
InChi:	InChI=1S/C25H27N3O2/c1-30-22-8-3-7-21(14-22)25(29)28(15-18-10-11-18)16-19-5-2-6-20(13-19)23-17-27-12-4-9-24(27)26-23/h2-3,5-8,13-14,17-18H,4,9-12,15-16H2,1H3
Definition date:	2018-05-02
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	N-(cyclopropylmethyl)-N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}-3-methoxybenzamide

GA7

GA7
Name:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R)-1-{(2S,3S,4R,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl}propan-2-yl hydrogen (R)-phosphate (non-preferred name)
Formula:	C20 H32 N5 O13 P
SMILES:	O=P(O)(OC(CC1C(C(O)C(O)C(C(O)CO)O1)O)C)OCC2C(O)C(O)C(O2)n3cnc4c3ncnc4N
InChi:	InChI=1S/C20H32N5O13P/c1-7(2-9-12(28)14(30)15(31)17(36-9)8(27)3-26)38-39(33,34)35-4-10-13(29)16(32)20(37-10)25-6-24-11-18(21)22-5-23-19(11)25/h5-10,12-17,20,26-32H,2-4H2,1H3,(H,33,34)(H2,21,22,23)/t7-,8+,9+,10-,12-,13-,14-,15+,16-,17-,20-/m1/s1
Definition date:	2018-05-17
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R)-1-{(2S,3S,4R,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl}propan-2-yl hydrogen (R)-phosphate (non-preferred name)

GJ1

GJ1
Name:	{6-[(4-methoxy-2-methylphenoxy)methyl]pyridin-2-yl}methanol
Formula:	C15 H17 N O3
SMILES:	c2(OCc1cccc(n1)CO)ccc(cc2C)OC
InChi:	InChI=1S/C15H17NO3/c1-11-8-14(18-2)6-7-15(11)19-10-13-5-3-4-12(9-17)16-13/h3-8,17H,9-10H2,1-2H3
Definition date:	2018-05-23
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	{6-[(4-methoxy-2-methylphenoxy)methyl]pyridin-2-yl}methanol

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