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GQZ

GQZ
Name:	~{N}1-oxidanyl-~{N}3-phenyl-benzene-1,3-dicarboxamide
Formula:	C14 H12 N2 O3
SMILES:	ONC(=O)c1cccc(c1)C(=O)Nc2ccccc2
InChi:	InChI=1S/C14H12N2O3/c17-13(15-12-7-2-1-3-8-12)10-5-4-6-11(9-10)14(18)16-19/h1-9,19H,(H,15,17)(H,16,18)
Definition date:	2018-10-04
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	~{N}1-oxidanyl-~{N}3-phenyl-benzene-1,3-dicarboxamide

GRK

GRK
Name:	4-methoxy-~{N}-oxidanyl-3-(2-phenylethanoylamino)benzamide
Formula:	C16 H16 N2 O4
SMILES:	COc1ccc(cc1NC(=O)Cc2ccccc2)C(=O)NO
InChi:	InChI=1S/C16H16N2O4/c1-22-14-8-7-12(16(20)18-21)10-13(14)17-15(19)9-11-5-3-2-4-6-11/h2-8,10,21H,9H2,1H3,(H,17,19)(H,18,20)
Definition date:	2018-10-05
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	4-methoxy-~{N}-oxidanyl-3-(2-phenylethanoylamino)benzamide

GRZ

GRZ
Name:	1-[5-chloranyl-2-(4-fluoranylphenoxy)phenyl]-~{N}-oxidanyl-1,2,3-triazole-4-carboxamide
Formula:	C15 H10 Cl F N4 O3
SMILES:	ONC(=O)c1cn(nn1)c2cc(Cl)ccc2Oc3ccc(F)cc3
InChi:	InChI=1S/C15H10ClFN4O3/c16-9-1-6-14(24-11-4-2-10(17)3-5-11)13(7-9)21-8-12(18-20-21)15(22)19-23/h1-8,23H,(H,19,22)
Definition date:	2018-10-08
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	1-[5-chloranyl-2-(4-fluoranylphenoxy)phenyl]-~{N}-oxidanyl-1,2,3-triazole-4-carboxamide

GT2

GT2
Name:	4-chloranyl-3-[(2,4-dichlorophenyl)carbonylamino]-~{N}-oxidanyl-benzamide
Formula:	C14 H9 Cl3 N2 O3
SMILES:	ONC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Cl)cc2Cl)c1
InChi:	InChI=1S/C14H9Cl3N2O3/c15-8-2-3-9(11(17)6-8)14(21)18-12-5-7(13(20)19-22)1-4-10(12)16/h1-6,22H,(H,18,21)(H,19,20)
Definition date:	2018-10-08
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	4-chloranyl-3-[(2,4-dichlorophenyl)carbonylamino]-~{N}-oxidanyl-benzamide

F2J

F2J
Name:	N-[1-(piperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide
Formula:	C18 H20 N4 S
SMILES:	c4(/C(Nc1cc2c(cc1)n(cc2)C3CCNCC3)=N)cccs4
InChi:	InChI=1S/C18H20N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,7,10-12,15,20H,5-6,8-9H2,(H2,19,21)
Definition date:	2018-02-26
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	N-[1-(piperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide

JXV

JXV
Name:	(1R)-2-{[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-yl]amino}-1-phenylethan-1-ol
Formula:	C20 H19 N3 O3
SMILES:	c1(ccc2c(c1)OCCO2)c3cc(ncn3)NCC(O)c4ccccc4
InChi:	InChI=1S/C20H19N3O3/c24-17(14-4-2-1-3-5-14)12-21-20-11-16(22-13-23-20)15-6-7-18-19(10-15)26-9-8-25-18/h1-7,10-11,13,17,24H,8-9,12H2,(H,21,22,23)/t17-/m0/s1
Definition date:	2018-10-15
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	(1R)-2-{[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-yl]amino}-1-phenylethan-1-ol

7R2

7R2
Name:	N-(1-{2-[ethyl(methyl)amino]ethyl}-1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-carboximidamide
Formula:	C19 H26 N4 S
SMILES:	c1(sccc1)/C(Nc3cc2CCCN(c2cc3)CCN(C)CC)=N
InChi:	InChI=1S/C19H26N4S/c1-3-22(2)11-12-23-10-4-6-15-14-16(8-9-17(15)23)21-19(20)18-7-5-13-24-18/h5,7-9,13-14H,3-4,6,10-12H2,1-2H3,(H2,20,21)
Definition date:	2018-02-26
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	N-(1-{2-[ethyl(methyl)amino]ethyl}-1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-carboximidamide

FO7

FO7
Name:	{2-bromo-3-(3-chloro-5-fluorophenoxy)-6-[(difluoromethyl)sulfonyl]phenyl}methanol
Formula:	C14 H9 Br Cl F3 O4 S
SMILES:	Brc1c(CO)c(ccc1Oc2cc(Cl)cc(c2)F)S(=O)(=O)C(F)F
InChi:	InChI=1S/C14H9BrClF3O4S/c15-13-10(6-20)12(24(21,22)14(18)19)2-1-11(13)23-9-4-7(16)3-8(17)5-9/h1-5,14,20H,6H2
Definition date:	2018-04-11
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	{2-bromo-3-(3-chloro-5-fluorophenoxy)-6-[(difluoromethyl)sulfonyl]phenyl}methanol

FOJ

FOJ
Name:	3-{[(3R)-4-(difluoromethyl)-2,2-difluoro-3-hydroxy-1,1-dioxo-2,3-dihydro-1H-1-benzothiophen-5-yl]oxy}-5-fluorobenzonitrile
Formula:	C16 H8 F5 N O4 S
SMILES:	N#Cc1cc(cc(c1)F)Oc3ccc2S(=O)(=O)C(F)(F)C(c2c3C(F)F)O
InChi:	InChI=1S/C16H8F5NO4S/c17-8-3-7(6-22)4-9(5-8)26-10-1-2-11-13(12(10)15(18)19)14(23)16(20,21)27(11,24)25/h1-5,14-15,23H/t14-/m1/s1
Definition date:	2018-04-11
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	3-{[(3R)-4-(difluoromethyl)-2,2-difluoro-3-hydroxy-1,1-dioxo-2,3-dihydro-1H-1-benzothiophen-5-yl]oxy}-5-fluorobenzonitrile

FOV

FOV
Name:	N-(3-chloro-5-fluorophenyl)-2-nitro-4-[(trifluoromethyl)sulfonyl]aniline
Formula:	C13 H7 Cl F4 N2 O4 S
SMILES:	O=N(c1c(ccc(c1)S(C(F)(F)F)(=O)=O)Nc2cc(Cl)cc(c2)F)=O
InChi:	InChI=1S/C13H7ClF4N2O4S/c14-7-3-8(15)5-9(4-7)19-11-2-1-10(6-12(11)20(21)22)25(23,24)13(16,17)18/h1-6,19H
Definition date:	2018-04-11
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	N-(3-chloro-5-fluorophenyl)-2-nitro-4-[(trifluoromethyl)sulfonyl]aniline

R70

R70
Name:	3-(2-methoxyphenyl)-4-[[4-(phenylcarbonyl)phenyl]amino]pyrrole-2,5-dione
Formula:	C24 H18 N2 O4
SMILES:	COc1ccccc1C2=C(Nc3ccc(cc3)C(=O)c4ccccc4)C(=O)NC2=O
InChi:	InChI=1S/C24H18N2O4/c1-30-19-10-6-5-9-18(19)20-21(24(29)26-23(20)28)25-17-13-11-16(12-14-17)22(27)15-7-3-2-4-8-15/h2-14H,1H3,(H2,25,26,28,29)
Definition date:	2018-10-17
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	3-(2-methoxyphenyl)-4-[[4-(phenylcarbonyl)phenyl]amino]pyrrole-2,5-dione

9A0

9A0
Name:	2-[4-({[4-(ethylsulfonyl)phenyl]acetyl}amino)phenyl]-2-methyl-N-phenylpropanamide
Formula:	C26 H28 N2 O4 S
SMILES:	C(C(=O)Nc2ccc(C(C(=O)Nc1ccccc1)(C)C)cc2)c3ccc(cc3)S(=O)(CC)=O
InChi:	InChI=1S/C26H28N2O4S/c1-4-33(31,32)23-16-10-19(11-17-23)18-24(29)27-22-14-12-20(13-15-22)26(2,3)25(30)28-21-8-6-5-7-9-21/h5-17H,4,18H2,1-3H3,(H,27,29)(H,28,30)
Definition date:	2018-02-08
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	2-[4-({[4-(ethylsulfonyl)phenyl]acetyl}amino)phenyl]-2-methyl-N-phenylpropanamide

BKN

BKN
Name:	ethyl 5-oxohexanoate
Formula:	C8 H14 O3
SMILES:	CCOC(=O)CCCC(C)=O
InChi:	InChI=1S/C8H14O3/c1-3-11-8(10)6-4-5-7(2)9/h3-6H2,1-2H3
Definition date:	2017-10-10
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	ethyl 5-oxidanylidenehexanoate

BKQ

BKQ
Name:	ethyl levulinate
Formula:	C7 H12 O3
SMILES:	CCOC(=O)CCC(C)=O
InChi:	InChI=1S/C7H12O3/c1-3-10-7(9)5-4-6(2)8/h3-5H2,1-2H3
Definition date:	2017-10-10
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	ethyl 4-oxidanylidenepentanoate

BOH

BOH
Name:	(2~{R})-2-azanyl-~{N}-[4-ethanoyl-5-(3-hydroxyphenyl)-1,3-thiazol-2-yl]propanamide
Formula:	C14 H15 N3 O3 S
SMILES:	C[CH](N)C(=O)Nc1sc(c2cccc(O)c2)c(n1)C(C)=O
InChi:	InChI=1S/C14H15N3O3S/c1-7(15)13(20)17-14-16-11(8(2)18)12(21-14)9-4-3-5-10(19)6-9/h3-7,19H,15H2,1-2H3,(H,16,17,20)/t7-/m1/s1
Definition date:	2017-10-11
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	(2~{R})-2-azanyl-~{N}-[4-ethanoyl-5-(3-hydroxyphenyl)-1,3-thiazol-2-yl]propanamide

BQ8

BQ8
Name:	(2~{R})-~{N}-[5-[3,5-bis(oxidanyl)phenyl]-4-ethanoyl-1,3-thiazol-2-yl]-2-carbamimidamido-propanamide
Formula:	C15 H17 N5 O4 S
SMILES:	C[CH](NC(N)=N)C(=O)Nc1sc(c2cc(O)cc(O)c2)c(n1)C(C)=O
InChi:	InChI=1S/C15H17N5O4S/c1-6(18-14(16)17)13(24)20-15-19-11(7(2)21)12(25-15)8-3-9(22)5-10(23)4-8/h3-6,22-23H,1-2H3,(H4,16,17,18)(H,19,20,24)/t6-/m1/s1
Definition date:	2017-10-12
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	(2~{R})-~{N}-[5-[3,5-bis(oxidanyl)phenyl]-4-ethanoyl-1,3-thiazol-2-yl]-2-carbamimidamido-propanamide

BQB

BQB
Name:	5-(4-nitrophenylazo)-3-iodosalicylic acid
Formula:	C13 H8 I N3 O5
SMILES:	OC(=O)c1cc(cc(I)c1O)N=Nc2ccc(cc2)[N+]([O-])=O
InChi:	InChI=1S/C13H8IN3O5/c14-11-6-8(5-10(12(11)18)13(19)20)16-15-7-1-3-9(4-2-7)17(21)22/h1-6,18H,(H,19,20)/b16-15+
Definition date:	2017-10-12
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	3-iodanyl-5-[(~{E})-(4-nitrophenyl)diazenyl]-2-oxidanyl-benzoic acid

BQE

BQE
Name:	(~{N}~{Z},2~{R})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-3~{H}-1,3-thiazol-2-ylidene]-1-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]piperazine-2-carboxamide
Formula:	C23 H30 F2 N6 O2 S
SMILES:	CC(=O)C1=C(SC(N1)=NC(=O)[CH]2CNCCN2CCC3CCC(F)(F)CC3)c4cncc(N)c4
InChi:	InChI=1S/C23H30F2N6O2S/c1-14(32)19-20(16-10-17(26)12-28-11-16)34-22(29-19)30-21(33)18-13-27-7-9-31(18)8-4-15-2-5-23(24,25)6-3-15/h10-12,15,18,27H,2-9,13,26H2,1H3,(H,29,30,33)/t18-/m1/s1
Definition date:	2017-10-12
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	(~{N}~{Z},2~{R})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-3~{H}-1,3-thiazol-2-ylidene]-1-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]piperazine-2-carboxamide

BQH

BQH
Name:	(2~{S})-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide
Formula:	C10 H14 N4 O2 S
SMILES:	CC(=O)c1csc(NC(=O)[CH]2CNCCN2)n1
InChi:	InChI=1S/C10H14N4O2S/c1-6(15)8-5-17-10(13-8)14-9(16)7-4-11-2-3-12-7/h5,7,11-12H,2-4H2,1H3,(H,13,14,16)/t7-/m0/s1
Definition date:	2017-10-12
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	(2~{S})-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide

BQK

BQK
Name:	(2~{R})-~{N}-[5-[3,5-bis(oxidanyl)phenyl]-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide
Formula:	C16 H18 N4 O4 S
SMILES:	CC(=O)c1nc(NC(=O)[CH]2CNCCN2)sc1c3cc(O)cc(O)c3
InChi:	InChI=1S/C16H18N4O4S/c1-8(21)13-14(9-4-10(22)6-11(23)5-9)25-16(19-13)20-15(24)12-7-17-2-3-18-12/h4-6,12,17-18,22-23H,2-3,7H2,1H3,(H,19,20,24)/t12-/m1/s1
Definition date:	2017-10-12
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	(2~{R})-~{N}-[5-[3,5-bis(oxidanyl)phenyl]-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide

BQQ

BQQ
Name:	(2~{S})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide
Formula:	C15 H18 N6 O2 S
SMILES:	CC(=O)c1nc(NC(=O)[CH]2CNCCN2)sc1c3cncc(N)c3
InChi:	InChI=1S/C15H18N6O2S/c1-8(22)12-13(9-4-10(16)6-18-5-9)24-15(20-12)21-14(23)11-7-17-2-3-19-11/h4-6,11,17,19H,2-3,7,16H2,1H3,(H,20,21,23)/t11-/m0/s1
Definition date:	2017-10-12
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	(2~{S})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide

BQT

BQT
Name:	(2~{R})-2-azanyl-~{N}-(4-oxidanylidene-6,7-dihydro-5~{H}-1,3-benzothiazol-2-yl)propanamide
Formula:	C10 H13 N3 O2 S
SMILES:	C[CH](N)C(=O)Nc1sc2CCCC(=O)c2n1
InChi:	InChI=1S/C10H13N3O2S/c1-5(11)9(15)13-10-12-8-6(14)3-2-4-7(8)16-10/h5H,2-4,11H2,1H3,(H,12,13,15)/t5-/m1/s1
Definition date:	2017-10-12
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	(2~{R})-2-azanyl-~{N}-(4-oxidanylidene-6,7-dihydro-5~{H}-1,3-benzothiazol-2-yl)propanamide

BQW

BQW
Name:	(2~{R})-2-carbamimidamido-~{N}-(4-ethanoyl-1,3-thiazolidin-2-yl)propanamide
Formula:	C9 H17 N5 O2 S
SMILES:	C[CH](NC(N)=N)C(=O)N[CH]1N[CH](CS1)C(C)=O
InChi:	InChI=1S/C9H17N5O2S/c1-4(12-8(10)11)7(16)14-9-13-6(3-17-9)5(2)15/h4,6,9,13H,3H2,1-2H3,(H,14,16)(H4,10,11,12)/t4-,6?,9?/m1/s1
Definition date:	2017-10-12
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	(2~{R})-2-carbamimidamido-~{N}-(4-ethanoyl-1,3-thiazolidin-2-yl)propanamide

BS8

BS8
Name:	7-(3-fluoranylpyridin-4-yl)-1~{H}-imidazo[4,5-b]pyridin-2-amine
Formula:	C11 H8 F N5
SMILES:	Nc1[nH]c2c(ccnc2n1)c3ccncc3F
InChi:	InChI=1S/C11H8FN5/c12-8-5-14-3-1-6(8)7-2-4-15-10-9(7)16-11(13)17-10/h1-5H,(H3,13,15,16,17)
Definition date:	2017-10-12
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	7-(3-fluoranylpyridin-4-yl)-1~{H}-imidazo[4,5-b]pyridin-2-amine

T34

T34
Name:	4-methyl-~{N}-oxidanyl-3-[(phenylmethyl)amino]benzamide
Formula:	C15 H16 N2 O2
SMILES:	Cc1ccc(cc1NCc2ccccc2)C(=O)NO
InChi:	InChI=1S/C15H16N2O2/c1-11-7-8-13(15(18)17-19)9-14(11)16-10-12-5-3-2-4-6-12/h2-9,16,19H,10H2,1H3,(H,17,18)
Definition date:	2018-10-08
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	4-methyl-~{N}-oxidanyl-3-[(phenylmethyl)amino]benzamide

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