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DSJ

DSJ
Name:	1-(4-amino-2-hydroxyphenyl)ethan-1-one
Formula:	C8 H9 N O2
SMILES:	c1(O)cc(ccc1C(=O)C)N
InChi:	InChI=1S/C8H9NO2/c1-5(10)7-3-2-6(9)4-8(7)11/h2-4,11H,9H2,1H3
Definition date:	2017-11-02
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	1-(4-amino-2-hydroxyphenyl)ethan-1-one

E7Z

E7Z
Name:	1-methyl-5-oxidanyl-4-oxidanylidene-pyridine-2-carboxylic acid
Formula:	C7 H7 N O4
SMILES:	CN1C=C(O)C(=O)C=C1C(O)=O
InChi:	InChI=1S/C7H7NO4/c1-8-3-6(10)5(9)2-4(8)7(11)12/h2-3,10H,1H3,(H,11,12)
Definition date:	2018-02-27
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	1-methyl-5-oxidanyl-4-oxidanylidene-pyridine-2-carboxylic acid

EON

EON
Name:	1-(2-methoxyphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea
Formula:	C14 H15 N3 O5 S
SMILES:	COc1ccccc1NC(=O)Nc2cc(ccc2O)[S](N)(=O)=O
InChi:	InChI=1S/C14H15N3O5S/c1-22-13-5-3-2-4-10(13)16-14(19)17-11-8-9(23(15,20)21)6-7-12(11)18/h2-8,18H,1H3,(H2,15,20,21)(H2,16,17,19)
Definition date:	2018-04-05
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	1-(2-methoxyphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea

EXW

EXW
Name:	2-fluoro-3,7,18-dolabellatriene
Formula:	C20 H31 F
SMILES:	CC(=C)[CH]1CC[C]2(C)CC(=C(C)CCC=C(C)CC[CH]12)F
InChi:	InChI=1S/C20H31F/c1-14(2)17-11-12-20(5)13-19(21)16(4)8-6-7-15(3)9-10-18(17)20/h7,17-18H,1,6,8-13H2,2-5H3/b15-7?,19-16-/t17-,18+,20+/m0/s1
Definition date:	2018-05-03
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	(1~{R},3~{a}~{R},12~{a}~{R})-5-fluoranyl-3~{a},6,10-trimethyl-1-prop-1-en-2-yl-2,3,4,7,8,11,12,12~{a}-octahydro-1~{H}-cyclopenta[11]annulene

EYW

EYW
Name:	5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[(3~{R})-pyrrolidin-3-yl]pentanamide
Formula:	C14 H24 N4 O2 S
SMILES:	O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)N[CH]3CCNC3
InChi:	InChI=1S/C14H24N4O2S/c19-12(16-9-5-6-15-7-9)4-2-1-3-11-13-10(8-21-11)17-14(20)18-13/h9-11,13,15H,1-8H2,(H,16,19)(H2,17,18,20)/t9-,10+,11+,13+/m1/s1
Definition date:	2018-05-07
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[(3~{R})-pyrrolidin-3-yl]pentanamide

F5E

F5E
Name:	~{N}-[2-methyl-5-(2-methylpropyl)indazol-4-yl]-4-[4-(1-methylpiperidin-4-yl)butyl]benzenesulfonamide
Formula:	C28 H40 N4 O2 S
SMILES:	CC(C)Cc1ccc2nn(C)cc2c1N[S](=O)(=O)c3ccc(CCCCC4CCN(C)CC4)cc3
InChi:	InChI=1S/C28H40N4O2S/c1-21(2)19-24-11-14-27-26(20-32(4)29-27)28(24)30-35(33,34)25-12-9-22(10-13-25)7-5-6-8-23-15-17-31(3)18-16-23/h9-14,20-21,23,30H,5-8,15-19H2,1-4H3
Definition date:	2018-06-01
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	~{N}-[2-methyl-5-(2-methylpropyl)indazol-4-yl]-4-[4-(1-methylpiperidin-4-yl)butyl]benzenesulfonamide

F8D

F8D
Name:	1-[(3S,3aS,8bS)-7-chloro-3-(hydroxymethyl)-2,3,3a,8b-tetrahydro-1H-[1]benzofuro[3,2-b]pyrrol-1-yl]ethan-1-one
Formula:	C13 H14 Cl N O3
SMILES:	c1cc3c(cc1Cl)C2N(C(C)=O)CC(C2O3)CO
InChi:	InChI=1S/C13H14ClNO3/c1-7(17)15-5-8(6-16)13-12(15)10-4-9(14)2-3-11(10)18-13/h2-4,8,12-13,16H,5-6H2,1H3/t8-,12-,13-/m0/s1
Definition date:	2018-03-13
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	1-[(3S,3aS,8bS)-7-chloro-3-(hydroxymethyl)-2,3,3a,8b-tetrahydro-1H-[1]benzofuro[3,2-b]pyrrol-1-yl]ethan-1-one

F9B

F9B
Name:	2-[[(2~{S})-3-naphthalen-1-yloxy-2-oxidanyl-propyl]amino]propane-1,3-diol
Formula:	C16 H21 N O4
SMILES:	OCC(CO)NC[CH](O)COc1cccc2ccccc12
InChi:	InChI=1S/C16H21NO4/c18-9-13(10-19)17-8-14(20)11-21-16-7-3-5-12-4-1-2-6-15(12)16/h1-7,13-14,17-20H,8-11H2/t14-/m0/s1
Definition date:	2018-06-12
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	2-[[(2~{S})-3-naphthalen-1-yloxy-2-oxidanyl-propyl]amino]propane-1,3-diol

AY2

AY2
Name:	~{N}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide
Formula:	C25 H23 N3 O4
SMILES:	CCOc1ccc(cc1c2cc(NC(=O)c3occc3)cc(c2)c4ccn(C)n4)C(C)=O
InChi:	InChI=1S/C25H23N3O4/c1-4-31-23-8-7-17(16(2)29)15-21(23)18-12-19(22-9-10-28(3)27-22)14-20(13-18)26-25(30)24-6-5-11-32-24/h5-15H,4H2,1-3H3,(H,26,30)
Definition date:	2017-08-30
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	~{N}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide

FGQ

FGQ
Name:	7-fluoranyl-5-(4-methylphenyl)sulfonyl-quinolin-8-ol
Formula:	C16 H12 F N O3 S
SMILES:	Cc1ccc(cc1)[S](=O)(=O)c2cc(F)c(O)c3ncccc23
InChi:	InChI=1S/C16H12FNO3S/c1-10-4-6-11(7-5-10)22(20,21)14-9-13(17)16(19)15-12(14)3-2-8-18-15/h2-9,19H,1H3
Definition date:	2018-06-28
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	7-fluoranyl-5-(4-methylphenyl)sulfonyl-quinolin-8-ol

4C5

4C5
Name:	(2R)-2-azanyl-3-[(4-methoxyphenyl)-diphenyl-methyl]sulfanyl-propanoic acid
Formula:	C23 H23 N O3 S
SMILES:	COc1ccc(cc1)C(SC[CH](N)C(O)=O)(c2ccccc2)c3ccccc3
InChi:	InChI=1S/C23H23NO3S/c1-27-20-14-12-19(13-15-20)23(17-8-4-2-5-9-17,18-10-6-3-7-11-18)28-16-21(24)22(25)26/h2-15,21H,16,24H2,1H3,(H,25,26)/t21-/m0/s1
Definition date:	2018-04-19
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	(2~{R})-2-azanyl-3-[(4-methoxyphenyl)-diphenyl-methyl]sulfanyl-propanoic acid

FV8

FV8
Name:	(4~{S},5~{R})-2-[2,3-bis(oxidanyl)phenyl]-~{N}-[2-(1~{H}-imidazol-4-yl)ethyl]-5-methyl-~{N}-oxidanyl-4,5-dihydro-1,3-oxazole-4-carboxamide
Formula:	C16 H18 N4 O5
SMILES:	C[CH]1OC(=N[CH]1C(=O)N(O)CCc2c[nH]cn2)c3cccc(O)c3O
InChi:	InChI=1S/C16H18N4O5/c1-9-13(16(23)20(24)6-5-10-7-17-8-18-10)19-15(25-9)11-3-2-4-12(21)14(11)22/h2-4,7-9,13,21-22,24H,5-6H2,1H3,(H,17,18)/t9-,13+/m1/s1
Definition date:	2018-07-31
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	(4~{S},5~{R})-2-[2,3-bis(oxidanyl)phenyl]-~{N}-[2-(1~{H}-imidazol-4-yl)ethyl]-5-methyl-~{N}-oxidanyl-4,5-dihydro-1,3-oxazole-4-carboxamide

GDH

GDH
Name:	7-[2-methoxy-6-[(4-methylpyridin-2-yl)methoxy]phenyl]-2,3,4,5-tetrahydro-1~{H}-3-benzazepine
Formula:	C24 H26 N2 O2
SMILES:	COc1cccc(OCc2cc(C)ccn2)c1c3ccc4CCNCCc4c3
InChi:	InChI=1S/C24H26N2O2/c1-17-8-13-26-21(14-17)16-28-23-5-3-4-22(27-2)24(23)20-7-6-18-9-11-25-12-10-19(18)15-20/h3-8,13-15,25H,9-12,16H2,1-2H3
Definition date:	2018-09-12
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	7-[2-methoxy-6-[(4-methylpyridin-2-yl)methoxy]phenyl]-2,3,4,5-tetrahydro-1~{H}-3-benzazepine

GDK

GDK
Name:	2-(4-methylphenyl)-3-(pyridin-2-ylmethoxy)pyridine
Formula:	C18 H16 N2 O
SMILES:	Cc1ccc(cc1)c2ncccc2OCc3ccccn3
InChi:	InChI=1S/C18H16N2O/c1-14-7-9-15(10-8-14)18-17(6-4-12-20-18)21-13-16-5-2-3-11-19-16/h2-12H,13H2,1H3
Definition date:	2018-09-12
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	2-(4-methylphenyl)-3-(pyridin-2-ylmethoxy)pyridine

GQP

GQP
Name:	1-[(4-fluorophenyl)methyl]benzimidazole
Formula:	C14 H11 F N2
SMILES:	Fc1ccc(Cn2cnc3ccccc23)cc1
InChi:	InChI=1S/C14H11FN2/c15-12-7-5-11(6-8-12)9-17-10-16-13-3-1-2-4-14(13)17/h1-8,10H,9H2
Definition date:	2018-05-31
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	1-[(4-fluorophenyl)methyl]benzimidazole

GRY

GRY
Name:	~{N}1-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine
Formula:	C12 H14 N4
SMILES:	Cc1cc(C)nc(Nc2ccc(N)cc2)n1
InChi:	InChI=1S/C12H14N4/c1-8-7-9(2)15-12(14-8)16-11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)
Definition date:	2018-06-01
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	~{N}1-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine

GUY

GUY
Name:	~{N}-(1-propyl-1,2,3,4-tetrazol-5-yl)furan-2-carboxamide
Formula:	C9 H11 N5 O2
SMILES:	CCCn1nnnc1NC(=O)c2occc2
InChi:	InChI=1S/C9H11N5O2/c1-2-5-14-9(11-12-13-14)10-8(15)7-4-3-6-16-7/h3-4,6H,2,5H2,1H3,(H,10,11,13,15)
Definition date:	2018-06-01
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	~{N}-(1-propyl-1,2,3,4-tetrazol-5-yl)furan-2-carboxamide

GV1

GV1
Name:	~{N},~{N},5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine
Formula:	C10 H13 N3 S
SMILES:	CN(C)c1ncnc2sc(C)c(C)c12
InChi:	InChI=1S/C10H13N3S/c1-6-7(2)14-10-8(6)9(13(3)4)11-5-12-10/h5H,1-4H3
Definition date:	2018-06-01
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	~{N},~{N},5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine

GW1

GW1
Name:	(4-chloranyl-2-methyl-pyrazol-3-yl)-piperidin-1-yl-methanone
Formula:	C10 H14 Cl N3 O
SMILES:	Cn1ncc(Cl)c1C(=O)N2CCCCC2
InChi:	InChI=1S/C10H14ClN3O/c1-13-9(8(11)7-12-13)10(15)14-5-3-2-4-6-14/h7H,2-6H2,1H3
Definition date:	2018-06-01
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	(4-chloranyl-2-methyl-pyrazol-3-yl)-piperidin-1-yl-methanone

H5A

H5A
Name:	3,4,5-trimethoxybenzoic acid
Formula:	C10 H12 O5
SMILES:	c1(C(=O)O)cc(c(c(OC)c1)OC)OC
InChi:	InChI=1S/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12)
Definition date:	2018-06-11
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	3,4,5-trimethoxybenzoic acid

S73

S73
Name:	(2-nitro-4-{[(3S)-1-{[4-(trifluoromethoxy)phenyl]methyl}pyrrolidin-3-yl]amino}phenyl)methanol
Formula:	C19 H20 F3 N3 O4
SMILES:	[N+](c1c(CO)ccc(c1)NC3CCN(Cc2ccc(cc2)OC(F)(F)F)C3)([O-])=O
InChi:	InChI=1S/C19H20F3N3O4/c20-19(21,22)29-17-5-1-13(2-6-17)10-24-8-7-16(11-24)23-15-4-3-14(12-26)18(9-15)25(27)28/h1-6,9,16,23,26H,7-8,10-12H2/t16-/m0/s1
Definition date:	2018-09-11
Last modified:	2018-09-28
Release date:	2018-10-03
Identifier:	(2-nitro-4-{[(3S)-1-{[4-(trifluoromethoxy)phenyl]methyl}pyrrolidin-3-yl]amino}phenyl)methanol

9OF

9OF
Name:	8-methoxy-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4-amine
Formula:	C15 H17 N3 O
SMILES:	c23c(c1ccc(cc1CC2(C)C)OC)ncnc3N
InChi:	InChI=1S/C15H17N3O/c1-15(2)7-9-6-10(19-3)4-5-11(9)13-12(15)14(16)18-8-17-13/h4-6,8H,7H2,1-3H3,(H2,16,17,18)
Definition date:	2018-06-14
Last modified:	2018-09-28
Release date:	2018-10-03
Identifier:	8-methoxy-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4-amine

9OL

9OL
Name:	5,5-dimethyl-8-[1-(piperidin-4-yl)ethenyl]-5,6-dihydrobenzo[h]quinazolin-4-amine
Formula:	C21 H26 N4
SMILES:	c14c(ccc(c1)/C(=C)C2CCNCC2)c3c(c(ncn3)N)C(C4)(C)C
InChi:	InChI=1S/C21H26N4/c1-13(14-6-8-23-9-7-14)15-4-5-17-16(10-15)11-21(2,3)18-19(17)24-12-25-20(18)22/h4-5,10,12,14,23H,1,6-9,11H2,2-3H3,(H2,22,24,25)
Definition date:	2018-06-14
Last modified:	2018-09-28
Release date:	2018-10-03
Identifier:	5,5-dimethyl-8-[1-(piperidin-4-yl)ethenyl]-5,6-dihydrobenzo[h]quinazolin-4-amine

CF8

CF8
Name:	(~{Z})-3-[2-(naphthalen-2-ylmethyl)phenyl]-2-sulfanyl-prop-2-enoic acid
Formula:	C20 H16 O2 S
SMILES:	OC(=O)C(S)=Cc1ccccc1Cc2ccc3ccccc3c2
InChi:	InChI=1S/C20H16O2S/c21-20(22)19(23)13-18-8-4-3-7-17(18)12-14-9-10-15-5-1-2-6-16(15)11-14/h1-11,13,23H,12H2,(H,21,22)/b19-13-
Definition date:	2017-11-24
Last modified:	2018-09-28
Release date:	2018-10-03
Identifier:	(~{Z})-3-[2-(naphthalen-2-ylmethyl)phenyl]-2-sulfanyl-prop-2-enoic acid

CQG

CQG
Name:	pyridin-4-ol
Formula:	C5 H5 N O
SMILES:	c1cnccc1O
InChi:	InChI=1S/C5H5NO/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7)
Definition date:	2017-09-28
Last modified:	2018-09-28
Release date:	2018-10-03
Identifier:	pyridin-4-ol

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