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4EP

4EP
Name:	1-(2,4-dihydroxy-5-propylphenyl)-1,3-dihydro-2H-benzimidazol-2-one
Formula:	C16 H16 N2 O3
SMILES:	O=C2Nc1ccccc1N2c3cc(c(cc3O)O)CCC
InChi:	InChI=1S/C16H16N2O3/c1-2-5-10-8-13(15(20)9-14(10)19)18-12-7-4-3-6-11(12)17-16(18)21/h3-4,6-9,19-20H,2,5H2,1H3,(H,17,21)
Definition date:	2015-03-11
Last modified:	2016-03-04
Release date:	2016-03-09
Identifier:	1-(2,4-dihydroxy-5-propylphenyl)-1,3-dihydro-2H-benzimidazol-2-one

4EQ

4EQ
Name:	1-(5-chloro-2,4-dihydroxyphenyl)-5-({[dihydroxy(pyridin-3-yl)-lambda~4~-sulfanyl]amino}methyl)-1,3-dihydro-2H-benzimidazol-2-one
Formula:	C19 H17 Cl N4 O5 S
SMILES:	OS(O)(c1cnccc1)NCc2cc3c(cc2)N(C(N3)=O)c4cc(Cl)c(cc4O)O
InChi:	InChI=1S/C19H17ClN4O5S/c20-13-7-16(18(26)8-17(13)25)24-15-4-3-11(6-14(15)23-19(24)27)9-22-30(28,29)12-2-1-5-21-10-12/h1-8,10,22,25-26,28-29H,9H2,(H,23,27)
Definition date:	2015-03-11
Last modified:	2016-03-04
Release date:	2016-03-09
Identifier:	1-(5-chloro-2,4-dihydroxyphenyl)-5-({[dihydroxy(pyridin-3-yl)-lambda~4~-sulfanyl]amino}methyl)-1,3-dihydro-2H-benzimidazol-2-one

4ER

4ER
Name:	6-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine
Formula:	C9 H8 Cl N5
SMILES:	Clc1c(cccc1)c2nc(nc(n2)N)N
InChi:	InChI=1S/C9H8ClN5/c10-6-4-2-1-3-5(6)7-13-8(11)15-9(12)14-7/h1-4H,(H4,11,12,13,14,15)
Definition date:	2015-03-11
Last modified:	2016-03-04
Release date:	2016-03-09
Identifier:	6-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine

4ES

4ES
Name:	4-(2-chloro-4-nitrophenyl)-6-methylpyrimidin-2-amine
Formula:	C11 H9 Cl N4 O2
SMILES:	[O-][N+](=O)c1ccc(c(c1)Cl)c2cc(nc(n2)N)C
InChi:	InChI=1S/C11H9ClN4O2/c1-6-4-10(15-11(13)14-6)8-3-2-7(16(17)18)5-9(8)12/h2-5H,1H3,(H2,13,14,15)
Definition date:	2015-03-11
Last modified:	2016-03-04
Release date:	2016-03-09
Identifier:	4-(2-chloro-4-nitrophenyl)-6-methylpyrimidin-2-amine

4ET

4ET
Name:	(5-chloro-2-hydroxyphenyl)(4-hydroxyphenyl)methanone
Formula:	C13 H9 Cl O3
SMILES:	Clc1cc(c(cc1)O)C(c2ccc(cc2)O)=O
InChi:	InChI=1S/C13H9ClO3/c14-9-3-6-12(16)11(7-9)13(17)8-1-4-10(15)5-2-8/h1-7,15-16H
Definition date:	2015-03-11
Last modified:	2016-03-04
Release date:	2016-03-09
Identifier:	(5-chloro-2-hydroxyphenyl)(4-hydroxyphenyl)methanone

4EU

4EU
Name:	(2,4-dihydroxyphenyl)(4-hydroxyphenyl)methanone
Formula:	C13 H10 O4
SMILES:	O=C(c1ccc(cc1O)O)c2ccc(cc2)O
InChi:	InChI=1S/C13H10O4/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(15)7-12(11)16/h1-7,14-16H
Definition date:	2015-03-11
Last modified:	2016-03-04
Release date:	2016-03-09
Identifier:	(2,4-dihydroxyphenyl)(4-hydroxyphenyl)methanone

4EV

4EV
Name:	(2,4-dihydroxyphenyl)(3-hydroxyphenyl)methanone
Formula:	C13 H10 O4
SMILES:	O=C(c1ccc(cc1O)O)c2cccc(c2)O
InChi:	InChI=1S/C13H10O4/c14-9-3-1-2-8(6-9)13(17)11-5-4-10(15)7-12(11)16/h1-7,14-16H
Definition date:	2015-03-11
Last modified:	2016-03-04
Release date:	2016-03-09
Identifier:	(2,4-dihydroxyphenyl)(3-hydroxyphenyl)methanone

4OT

4OT
Name:	[5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]{(2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-1-yl}methanone
Formula:	C24 H21 F N4 O2 S
SMILES:	C(C1CCCN1C(c2c(sc(C)n2)c3c(cccc3)F)=O)c4oc(nn4)c5ccccc5
InChi:	InChI=1S/C24H21FN4O2S/c1-15-26-21(22(32-15)18-11-5-6-12-19(18)25)24(30)29-13-7-10-17(29)14-20-27-28-23(31-20)16-8-3-2-4-9-16/h2-6,8-9,11-12,17H,7,10,13-14H2,1H3/t17-/m0/s1
Definition date:	2015-04-29
Last modified:	2016-03-04
Release date:	2016-03-09
Identifier:	[5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]{(2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-1-yl}methanone

AY1

AY1
Name:	[(2R,3S,6S,7R,8R)-3-[(3-formamido-2-oxidanyl-phenyl)carbonylamino]-8-hexyl-2,6-dimethyl-4,9-bis(oxidanylidene)-1,5-dioxonan-7-yl] 2-methylpropanoate
Formula:	C27 H38 N2 O9
SMILES:	C(Nc1c(c(ccc1)C(=O)NC2C(OC(C(C(C(=O)OC2C)CCCCCC)OC(=O)C(C)C)C)=O)O)=O
InChi:	InChI=1S/C27H38N2O9/c1-6-7-8-9-11-19-23(38-25(33)15(2)3)17(5)37-27(35)21(16(4)36-26(19)34)29-24(32)18-12-10-13-20(22(18)31)28-14-30/h10,12-17,19,21,23,31H,6-9,11H2,1-5H3,(H,28,30)(H,29,32)/t16-,17+,19-,21+,23+/m1/s1
Definition date:	2004-01-13
Last modified:	2016-03-04
Identifier:	(2R,3S,6S,7R,8R)-3-{[3-(formylamino)-2-hydroxybenzoyl]amino}-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl 2-methylpropanoate (non-preferred name)

5N8

5N8
Name:	4-[bis(fluoranyl)-[3-[[(6~{S})-6-methyl-3-(trifluoromethyl)-6,8-dihydro-5~{H}-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]carbonyl]phenyl]methyl]-2~{H}-phthalazin-1-one
Formula:	C23 H17 F5 N6 O2
SMILES:	C[CH]1Cn2c(CN1C(=O)c3cccc(c3)C(F)(F)C4=NNC(=O)c5ccccc45)nnc2C(F)(F)F
InChi:	InChI=1S/C23H17F5N6O2/c1-12-10-34-17(29-32-21(34)23(26,27)28)11-33(12)20(36)13-5-4-6-14(9-13)22(24,25)18-15-7-2-3-8-16(15)19(35)31-30-18/h2-9,12H,10-11H2,1H3,(H,31,35)/t12-/m0/s1
Definition date:	2015-10-27
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	4-[bis(fluoranyl)-[3-[[(6~{S})-6-methyl-3-(trifluoromethyl)-6,8-dihydro-5~{H}-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]carbonyl]phenyl]methyl]-2~{H}-phthalazin-1-one

5O6

5O6
Name:	(~{E})-3-(4-methoxyphenyl)but-2-enoic acid
Formula:	C11 H12 O3
SMILES:	COc1ccc(cc1)C(C)=CC(O)=O
InChi:	InChI=1S/C11H12O3/c1-8(7-11(12)13)9-3-5-10(14-2)6-4-9/h3-7H,1-2H3,(H,12,13)/b8-7+
Definition date:	2015-10-29
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	(~{E})-3-(4-methoxyphenyl)but-2-enoic acid

5OO

5OO
Name:	(~{E})-3-(2,4-dichlorophenyl)prop-2-enoic acid
Formula:	C9 H6 Cl2 O2
SMILES:	OC(=O)C=Cc1ccc(Cl)cc1Cl
InChi:	InChI=1S/C9H6Cl2O2/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+
Definition date:	2015-10-30
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	(~{E})-3-(2,4-dichlorophenyl)prop-2-enoic acid

YI6

YI6
Name:	2-(4-ethoxyphenyl)ethanoic acid
Formula:	C10 H12 O3
SMILES:	CCOc1ccc(CC(O)=O)cc1
InChi:	InChI=1S/C10H12O3/c1-2-13-9-5-3-8(4-6-9)7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12)
Definition date:	2015-11-15
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	2-(4-ethoxyphenyl)ethanoic acid

YIE

YIE
Name:	5-[(4-chlorophenyl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene
Formula:	C8 H6 Cl N4
SMILES:	Clc1ccc(Cc2[n-]nnn2)cc1
InChi:	InChI=1S/C8H6ClN4/c9-7-3-1-6(2-4-7)5-8-10-12-13-11-8/h1-4H,5H2/q-1
Definition date:	2015-11-15
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	5-[(4-chlorophenyl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene

YIH

YIH
Name:	5-[[3,4-bis(chloranyl)phenoxy]methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene
Formula:	C8 H5 Cl2 N4 O
SMILES:	Clc1ccc(OCc2n[n-]nn2)cc1Cl
InChi:	InChI=1S/C8H5Cl2N4O/c9-6-2-1-5(3-7(6)10)15-4-8-11-13-14-12-8/h1-3H,4H2/q-1
Definition date:	2015-11-15
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	5-[[3,4-bis(chloranyl)phenoxy]methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene

YIP

YIP
Name:	5-[(3-chloranylphenoxy)methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene
Formula:	C8 H6 Cl N4 O
SMILES:	Clc1cccc(OCc2n[n-]nn2)c1
InChi:	InChI=1S/C8H6ClN4O/c9-6-2-1-3-7(4-6)14-5-8-10-12-13-11-8/h1-4H,5H2/q-1
Definition date:	2015-11-15
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	5-[(3-chloranylphenoxy)methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene

5SL

5SL
Name:	~{N}-[(1~{S},3~{S})-3-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1~{H}-pyrazolo[3,4-d]pyrimidin-4-amine
Formula:	C20 H21 N7 O
SMILES:	Cc1ccc(Cc2noc(n2)[CH]3CC[CH](C3)Nc4ncnc5[nH]ncc45)cc1
InChi:	InChI=1S/C20H21N7O/c1-12-2-4-13(5-3-12)8-17-25-20(28-27-17)14-6-7-15(9-14)24-18-16-10-23-26-19(16)22-11-21-18/h2-5,10-11,14-15H,6-9H2,1H3,(H2,21,22,23,24,26)/t14-,15-/m0/s1
Definition date:	2015-11-23
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	~{N}-[(1~{S},3~{S})-3-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1~{H}-pyrazolo[3,4-d]pyrimidin-4-amine

5SM

5SM
Name:	5-[3-[bis(fluoranyl)methyl]-4-fluoranyl-phenyl]-3-[(2-methylimidazol-1-yl)methyl]pyridazine
Formula:	C16 H13 F3 N4
SMILES:	Cc1nccn1Cc2cc(cnn2)c3ccc(F)c(c3)C(F)F
InChi:	InChI=1S/C16H13F3N4/c1-10-20-4-5-23(10)9-13-6-12(8-21-22-13)11-2-3-15(17)14(7-11)16(18)19/h2-8,16H,9H2,1H3
Definition date:	2015-11-23
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	5-[3-[bis(fluoranyl)methyl]-4-fluoranyl-phenyl]-3-[(2-methylimidazol-1-yl)methyl]pyridazine

SZC

SZC
Name:	N-cyclopentyl-2-[4-(trifluoromethyl)phenyl]-3H-benzimidazole-4-sulfonamide
Formula:	C19 H18 F3 N3 O2 S
SMILES:	FC(F)(F)c1ccc(cc1)c2[nH]c3c(cccc3[S](=O)(=O)NC4CCCC4)n2
InChi:	InChI=1S/C19H18F3N3O2S/c20-19(21,22)13-10-8-12(9-11-13)18-23-15-6-3-7-16(17(15)24-18)28(26,27)25-14-4-1-2-5-14/h3,6-11,14,25H,1-2,4-5H2,(H,23,24)
Definition date:	2015-11-26
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	N-cyclopentyl-2-[4-(trifluoromethyl)phenyl]-3H-benzimidazole-4-sulfonamide

5WK

5WK
Name:	2-[5-[1,1,2,2-tetrakis(fluoranyl)ethyl]-1~{H}-pyrazol-3-yl]phenol
Formula:	C11 H8 F4 N2 O
SMILES:	Oc1ccccc1c2cc([nH]n2)C(F)(F)C(F)F
InChi:	InChI=1S/C11H8F4N2O/c12-10(13)11(14,15)9-5-7(16-17-9)6-3-1-2-4-8(6)18/h1-5,10,18H,(H,16,17)
Definition date:	2015-12-15
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	2-[5-[1,1,2,2-tetrakis(fluoranyl)ethyl]-1~{H}-pyrazol-3-yl]phenol

5WL

5WL
Name:	6-chloranyl-~{N}-methylsulfonyl-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxamide
Formula:	C23 H21 Cl N2 O4 S
SMILES:	C[S](=O)(=O)NC(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc3cccc4ccccc34
InChi:	InChI=1S/C23H21ClN2O4S/c1-31(28,29)26-23(27)22-19(18-12-11-16(24)14-20(18)25-22)9-5-13-30-21-10-4-7-15-6-2-3-8-17(15)21/h2-4,6-8,10-12,14,25H,5,9,13H2,1H3,(H,26,27)
Definition date:	2015-12-15
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	6-chloranyl-~{N}-methylsulfonyl-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxamide

5X2

5X2
Name:	3-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propyl]-~{N}-(phenylsulfonyl)-1~{H}-indole-2-carboxamide
Formula:	C26 H25 Cl N2 O4 S
SMILES:	Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)N[S](=O)(=O)c4ccccc4)cc(C)c1Cl
InChi:	InChI=1S/C26H25ClN2O4S/c1-17-15-19(16-18(2)24(17)27)33-14-8-12-22-21-11-6-7-13-23(21)28-25(22)26(30)29-34(31,32)20-9-4-3-5-10-20/h3-7,9-11,13,15-16,28H,8,12,14H2,1-2H3,(H,29,30)
Definition date:	2015-12-17
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	3-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propyl]-~{N}-(phenylsulfonyl)-1~{H}-indole-2-carboxamide

5X3

5X3
Name:	5-[[6-chloranyl-3-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propyl]-7-(3,5-dimethyl-1~{H}-pyrazol-4-yl)-1~{H}-indol-2-yl]carbonylsulfamoyl]furan-2-carboxylic acid
Formula:	C30 H28 Cl2 N4 O7 S
SMILES:	Cc1[nH]nc(C)c1c2c(Cl)ccc3c(CCCOc4cc(C)c(Cl)c(C)c4)c([nH]c23)C(=O)N[S](=O)(=O)c5oc(cc5)C(O)=O
InChi:	InChI=1S/C30H28Cl2N4O7S/c1-14-12-18(13-15(2)26(14)32)42-11-5-6-19-20-7-8-21(31)25(24-16(3)34-35-17(24)4)27(20)33-28(19)29(37)36-44(40,41)23-10-9-22(43-23)30(38)39/h7-10,12-13,33H,5-6,11H2,1-4H3,(H,34,35)(H,36,37)(H,38,39)
Definition date:	2015-12-17
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	5-[[6-chloranyl-3-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propyl]-7-(3,5-dimethyl-1~{H}-pyrazol-4-yl)-1~{H}-indol-2-yl]carbonylsulfamoyl]furan-2-carboxylic acid

XBZ

XBZ
Name:	1,2,4-trimethylbenzene
Formula:	C9 H12
SMILES:	c1c(ccc(c1C)C)C
InChi:	InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3
Definition date:	2014-11-11
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	1,2,4-trimethylbenzene

5XN

5XN
Name:	(1S)-1-carboxy-2-(5-{2-[(3-chlorophenyl)methyl]-2H-tetrazol-5-yl}-3-oxo-2,3-dihydro-1,2-oxazol-4-yl)ethan-1-aminium
Formula:	C14 H14 Cl N6 O4
SMILES:	C=1(C(NOC=1c2nnn(n2)Cc3cc(ccc3)Cl)=O)CC([NH3+])C(=O)O
InChi:	InChI=1S/C14H13ClN6O4/c15-8-3-1-2-7(4-8)6-21-18-12(17-20-21)11-9(13(22)19-25-11)5-10(16)14(23)24/h1-4,10H,5-6,16H2,(H,19,22)(H,23,24)/p+1/t10-/m0/s1
Definition date:	2015-12-22
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	(1S)-1-carboxy-2-(5-{2-[(3-chlorophenyl)methyl]-2H-tetrazol-5-yl}-3-oxo-2,3-dihydro-1,2-oxazol-4-yl)ethan-1-aminium

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