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8XN

8XN
Name:	(6~{S})-5-(2-methoxyethyl)-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one
Formula:	C20 H25 N7 O2
SMILES:	COCCN1[CH](C)Cc2[nH]c(cc2C1=O)c3nc(Nc4ccnn4C)ncc3C
InChi:	InChI=1S/C20H25N7O2/c1-12-11-21-20(24-17-5-6-22-26(17)3)25-18(12)16-10-14-15(23-16)9-13(2)27(19(14)28)7-8-29-4/h5-6,10-11,13,23H,7-9H2,1-4H3,(H,21,24,25)/t13-/m0/s1
Definition date:	2017-03-22
Last modified:	2017-04-14
Release date:	2017-04-19
Identifier:	(6~{S})-5-(2-methoxyethyl)-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one

92N

92N
Name:	4-[(1-oxidanyl-3~{H}-2,1-benzoxaborol-5-yl)oxy]benzaldehyde
Formula:	C14 H11 B O4
SMILES:	OB1OCc2cc(Oc3ccc(C=O)cc3)ccc12
InChi:	InChI=1S/C14H11BO4/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-8,17H,9H2
Definition date:	2017-04-10
Last modified:	2017-04-14
Release date:	2017-04-19
Identifier:	4-[(1-oxidanyl-3~{H}-2,1-benzoxaborol-5-yl)oxy]benzaldehyde

I53

I53
Name:	2-[2-[[3-(1~{H}-benzimidazol-2-ylamino)propylamino]methyl]-4,6-bis(chloranyl)indol-1-yl]ethanol
Formula:	C21 H23 Cl2 N5 O
SMILES:	OCCn1c(CNCCCNc2[nH]c3ccccc3n2)cc4c(Cl)cc(Cl)cc14
InChi:	InChI=1S/C21H23Cl2N5O/c22-14-10-17(23)16-12-15(28(8-9-29)20(16)11-14)13-24-6-3-7-25-21-26-18-4-1-2-5-19(18)27-21/h1-2,4-5,10-12,24,29H,3,6-9,13H2,(H2,25,26,27)
Definition date:	2015-10-23
Last modified:	2017-04-07
Release date:	2017-04-12
Identifier:	2-[2-[[3-(1~{H}-benzimidazol-2-ylamino)propylamino]methyl]-4,6-bis(chloranyl)indol-1-yl]ethanol

T0E

T0E
Name:	5-[(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-N-[(1H-pyrazol-5-yl)methyl]benzamide
Formula:	C24 H25 F N4 O4
SMILES:	O=C(NCc1ccnn1)c2c(F)ccc(c2)C5C(COc4cc3OCOc3cc4)CNCC5
InChi:	InChI=1S/C24H25FN4O4/c25-21-3-1-15(9-20(21)24(30)27-12-17-5-8-28-29-17)19-6-7-26-11-16(19)13-31-18-2-4-22-23(10-18)33-14-32-22/h1-5,8-10,16,19,26H,6-7,11-14H2,(H,27,30)(H,28,29)/t16-,19-/m0/s1
Definition date:	2017-01-25
Last modified:	2017-04-07
Release date:	2017-04-12
Identifier:	5-[(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-N-[(1H-pyrazol-5-yl)methyl]benzamide

6FW

6FW
Name:	2-amino-8-[(4-chlorophenyl)sulfanyl]-9-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,9-dihydro-6H-purin-6-one
Formula:	C16 H15 Cl N5 O7 P S
SMILES:	C1(N=C(N)Nc2n(c(nc12)Sc3ccc(Cl)cc3)C5C(C4C(COP(=O)(O)O4)O5)O)=O
InChi:	InChI=1S/C16H15ClN5O7PS/c17-6-1-3-7(4-2-6)31-16-19-9-12(20-15(18)21-13(9)24)22(16)14-10(23)11-8(28-14)5-27-30(25,26)29-11/h1-4,8,10-11,14,23H,5H2,(H,25,26)(H3,18,20,21,24)/t8-,10-,11-,14-/m1/s1
Definition date:	2016-04-01
Last modified:	2017-04-07
Release date:	2017-04-12
Identifier:	2-amino-8-[(4-chlorophenyl)sulfanyl]-9-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,9-dihydro-6H-purin-6-one

6ZL

6ZL
Name:	2-{[(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]methyl}-2-octyldecyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside
Formula:	C43 H80 O22
SMILES:	C(CCCC(COC1C(C(C(C(O1)CO)OC2OC(CO)C(O)C(O)C2O)O)O)(COC3C(C(C(C(O3)CO)OC4OC(CO)C(O)C(O)C4O)O)O)CCCCCCCC)CCCC
InChi:	InChI=1S/C43H80O22/c1-3-5-7-9-11-13-15-43(16-14-12-10-8-6-4-2,21-58-39-35(56)31(52)37(25(19-46)62-39)64-41-33(54)29(50)27(48)23(17-44)60-41)22-59-40-36(57)32(53)38(26(20-47)63-40)65-42-34(55)30(51)28(49)24(18-45)61-42/h23-42,44-57H,3-22H2,1-2H3/t23-,24-,25-,26-,27-,28-,29+,30+,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m1/s1
Definition date:	2016-08-01
Last modified:	2017-04-07
Release date:	2017-04-12
Identifier:	2-{[(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]methyl}-2-octyldecyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside

70G

70G
Name:	3-[(1R)-8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanoic acid
Formula:	C14 H18 O2
SMILES:	C(C(O)=O)CC2c1c(C)cccc1CCC2
InChi:	InChI=1S/C14H18O2/c1-10-4-2-5-11-6-3-7-12(14(10)11)8-9-13(15)16/h2,4-5,12H,3,6-9H2,1H3,(H,15,16)/t12-/m1/s1
Definition date:	2016-08-05
Last modified:	2017-04-07
Release date:	2017-04-12
Identifier:	3-[(1R)-8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanoic acid

70H

70H
Name:	(3E)-4-(8-methylnaphthalen-1-yl)but-3-enoic acid
Formula:	C15 H14 O2
SMILES:	[C@H](CC(O)=O)=Cc2c1c(C)cccc1ccc2
InChi:	InChI=1S/C15H14O2/c1-11-5-2-6-12-7-3-8-13(15(11)12)9-4-10-14(16)17/h2-9H,10H2,1H3,(H,16,17)/b9-4+
Definition date:	2016-08-05
Last modified:	2017-04-07
Release date:	2017-04-12
Identifier:	(3E)-4-(8-methylnaphthalen-1-yl)but-3-enoic acid

73U

73U
Name:	5-[4-methyl-4'-(methylamino)[1,1'-biphenyl]-3-yl]-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione
Formula:	C16 H17 N3 O3 S
SMILES:	c1cc(ccc1NC)c3ccc(c(N2S(NC(=O)C2)(=O)=O)c3)C
InChi:	InChI=1S/C16H17N3O3S/c1-11-3-4-13(12-5-7-14(17-2)8-6-12)9-15(11)19-10-16(20)18-23(19,21)22/h3-9,17H,10H2,1-2H3,(H,18,20)
Definition date:	2016-08-19
Last modified:	2017-04-07
Release date:	2017-04-12
Identifier:	5-[4-methyl-4'-(methylamino)[1,1'-biphenyl]-3-yl]-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione

74Q

74Q
Name:	3-(benzotriazol-1-yl)-5-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-amine
Formula:	C22 H19 N9
SMILES:	Cn1nc(nc1C2(CC2)c3ccccc3)c4cnc(N)c(n4)n5nnc6ccccc56
InChi:	InChI=1S/C22H19N9/c1-30-21(22(11-12-22)14-7-3-2-4-8-14)26-19(28-30)16-13-24-18(23)20(25-16)31-17-10-6-5-9-15(17)27-29-31/h2-10,13H,11-12H2,1H3,(H2,23,24)
Definition date:	2016-08-24
Last modified:	2017-04-07
Release date:	2017-04-12
Identifier:	3-(benzotriazol-1-yl)-5-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-amine

7C3

7C3
Name:	6-azanyl-2-oxidanylidene-hexanoic acid
Formula:	C6 H11 N O3
SMILES:	NCCCCC(=O)C(O)=O
InChi:	InChI=1S/C6H11NO3/c7-4-2-1-3-5(8)6(9)10/h1-4,7H2,(H,9,10)
Definition date:	2016-10-03
Last modified:	2017-04-07
Release date:	2017-04-12
Identifier:	6-azanyl-2-oxidanylidene-hexanoic acid

7M6

7M6
Name:	7-chloro-4-(2-fluoroethyl)-2,3-dihydro-1,2,4-benzothiadiazine 1,1-dioxide
Formula:	C9 H10 Cl F N2 O2 S
SMILES:	FCCN1CN[S](=O)(=O)c2cc(Cl)ccc12
InChi:	InChI=1S/C9H10ClFN2O2S/c10-7-1-2-8-9(5-7)16(14,15)12-6-13(8)4-3-11/h1-2,5,12H,3-4,6H2
Definition date:	2016-11-18
Last modified:	2017-04-07
Release date:	2017-04-12
Identifier:	7-chloranyl-4-(2-fluoranylethyl)-2,3-dihydro-1$l^{6},2,4-benzothiadiazine 1,1-dioxide

7MU

7MU
Name:	4-chloranyl-~{N}-methyl-pyridine-2-carboxamide
Formula:	C7 H7 Cl N2 O
SMILES:	CNC(=O)c1cc(Cl)ccn1
InChi:	InChI=1S/C7H7ClN2O/c1-9-7(11)6-4-5(8)2-3-10-6/h2-4H,1H3,(H,9,11)
Definition date:	2016-11-21
Last modified:	2017-04-07
Release date:	2017-04-12
Identifier:	4-chloranyl-~{N}-methyl-pyridine-2-carboxamide

7MW

7MW
Name:	methyl 4-propanoyl-1~{H}-pyrrole-2-carboxylate
Formula:	C9 H11 N O3
SMILES:	CCC(=O)c1c[nH]c(c1)C(=O)OC
InChi:	InChI=1S/C9H11NO3/c1-3-8(11)6-4-7(10-5-6)9(12)13-2/h4-5,10H,3H2,1-2H3
Definition date:	2016-11-21
Last modified:	2017-04-07
Release date:	2017-04-12
Identifier:	methyl 4-propanoyl-1~{H}-pyrrole-2-carboxylate

7MX

7MX
Name:	ethyl 4-chloranyl-1-methyl-6-oxidanylidene-pyridine-3-carboxylate
Formula:	C9 H10 Cl N O3
SMILES:	CCOC(=O)C1=CN(C)C(=O)C=C1Cl
InChi:	InChI=1S/C9H10ClNO3/c1-3-14-9(13)6-5-11(2)8(12)4-7(6)10/h4-5H,3H2,1-2H3
Definition date:	2016-11-21
Last modified:	2017-04-07
Release date:	2017-04-12
Identifier:	ethyl 4-chloranyl-1-methyl-6-oxidanylidene-pyridine-3-carboxylate

7MZ

7MZ
Name:	1-(3-pyrimidin-2-yloxyphenyl)ethanone
Formula:	C12 H10 N2 O2
SMILES:	CC(=O)c1cccc(Oc2ncccn2)c1
InChi:	InChI=1S/C12H10N2O2/c1-9(15)10-4-2-5-11(8-10)16-12-13-6-3-7-14-12/h2-8H,1H3
Definition date:	2016-11-21
Last modified:	2017-04-07
Release date:	2017-04-12
Identifier:	1-(3-pyrimidin-2-yloxyphenyl)ethanone

7O4

7O4
Name:	3-(furan-2-yl)-1H-pyrazole-5-carboxylic acid
Formula:	C8 H6 N2 O3
SMILES:	c1c(occ1)c2nnc(c2)C(=O)O
InChi:	InChI=1S/C8H6N2O3/c11-8(12)6-4-5(9-10-6)7-2-1-3-13-7/h1-4H,(H,9,10)(H,11,12)
Definition date:	2016-11-21
Last modified:	2017-04-07
Release date:	2017-04-12
Identifier:	3-(furan-2-yl)-1H-pyrazole-5-carboxylic acid

7UU

7UU
Name:	~{N}-methyl-~{N}-[3-[(2-oxidanylidenechromen-4-yl)amino]propyl]thiophene-2-carboxamide
Formula:	C18 H18 N2 O3 S
SMILES:	CN(CCCNC1=CC(=O)Oc2ccccc12)C(=O)c3sccc3
InChi:	InChI=1S/C18H18N2O3S/c1-20(18(22)16-8-4-11-24-16)10-5-9-19-14-12-17(21)23-15-7-3-2-6-13(14)15/h2-4,6-8,11-12,19H,5,9-10H2,1H3
Definition date:	2016-12-28
Last modified:	2017-04-07
Release date:	2017-04-12
Identifier:	~{N}-methyl-~{N}-[3-[(2-oxidanylidenechromen-4-yl)amino]propyl]thiophene-2-carboxamide

7XF

7XF
Name:	(2~{S})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-4-sulfanyl-butanoic acid
Formula:	C12 H19 N2 O7 P S
SMILES:	Cc1ncc(CO[P](O)(O)=O)c(CN[CH](CCS)C(O)=O)c1O
InChi:	InChI=1S/C12H19N2O7PS/c1-7-11(15)9(5-14-10(2-3-23)12(16)17)8(4-13-7)6-21-22(18,19)20/h4,10,14-15,23H,2-3,5-6H2,1H3,(H,16,17)(H2,18,19,20)/t10-/m0/s1
Definition date:	2017-02-03
Last modified:	2017-04-07
Release date:	2017-04-12
Identifier:	(2~{S})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-4-sulfanyl-butanoic acid

85D

85D
Name:	(1S,5R)-2-(bromomethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene
Formula:	C10 H15 Br
SMILES:	C2C1C(C)(C)C(C1)C(CBr)=C2
InChi:	InChI=1S/C10H15Br/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9H,4-6H2,1-2H3/t8-,9-/m1/s1
Definition date:	2017-01-05
Last modified:	2017-04-07
Release date:	2017-04-12
Identifier:	(1S,5R)-2-(bromomethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene

88D

88D
Name:	N-(2-methylphenyl)-Nalpha-(selenophene-2-carbonyl)-D-phenylalaninamide
Formula:	C21 H20 N2 O2 Se
SMILES:	Cc1ccccc1NC(=O)C(Cc2ccccc2)NC(=O)c3[se]ccc3
InChi:	InChI=1S/C21H20N2O2Se/c1-15-8-5-6-11-17(15)22-20(24)18(14-16-9-3-2-4-10-16)23-21(25)19-12-7-13-26-19/h2-13,18H,14H2,1H3,(H,22,24)(H,23,25)/t18-/m1/s1
Definition date:	2017-01-11
Last modified:	2017-04-07
Release date:	2017-04-12
Identifier:	N-(2-methylphenyl)-Nalpha-(selenophene-2-carbonyl)-D-phenylalaninamide

88G

88G
Name:	Nalpha-(benzenecarbonyl)-N-(2-methylphenyl)-D-phenylalaninamide
Formula:	C23 H22 N2 O2
SMILES:	Cc1ccccc1NC(=O)C(Cc2ccccc2)NC(=O)c3ccccc3
InChi:	InChI=1S/C23H22N2O2/c1-17-10-8-9-15-20(17)24-23(27)21(16-18-11-4-2-5-12-18)25-22(26)19-13-6-3-7-14-19/h2-15,21H,16H2,1H3,(H,24,27)(H,25,26)/t21-/m1/s1
Definition date:	2017-01-11
Last modified:	2017-04-07
Release date:	2017-04-12
Identifier:	Nalpha-(benzenecarbonyl)-N-(2-methylphenyl)-D-phenylalaninamide

8LY

8LY
Name:	N-[2-(5-chloro-2-fluorophenyl)pyridin-4-yl]-2-[(piperidin-4-yl)methyl]-2H-pyrazolo[4,3-b]pyridin-7-amine
Formula:	C23 H22 Cl F N6
SMILES:	c5c(Cl)cc(c4cc(Nc1c3c(ncc1)cn(CC2CCNCC2)n3)ccn4)c(F)c5
InChi:	InChI=1S/C23H22ClFN6/c24-16-1-2-19(25)18(11-16)21-12-17(5-9-27-21)29-20-6-10-28-22-14-31(30-23(20)22)13-15-3-7-26-8-4-15/h1-2,5-6,9-12,14-15,26H,3-4,7-8,13H2,(H,27,29)
Definition date:	2017-02-15
Last modified:	2017-04-07
Release date:	2017-04-12
Identifier:	N-[2-(5-chloro-2-fluorophenyl)pyridin-4-yl]-2-[(piperidin-4-yl)methyl]-2H-pyrazolo[4,3-b]pyridin-7-amine

8ND

8ND
Name:	(2S)-3-(2-aminoethoxy)propane-1,2-diyl dihexadecanoate
Formula:	C37 H73 N O5
SMILES:	C(COCCN)(COC(CCCCCCCCCCCCCCC)=O)OC(=O)CCCCCCCCCCCCCCC
InChi:	InChI=1S/C37H73NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)42-34-35(33-41-32-31-38)43-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3/t35-/m0/s1
Definition date:	2017-02-21
Last modified:	2017-04-07
Release date:	2017-04-12
Identifier:	(2S)-3-(2-aminoethoxy)propane-1,2-diyl dihexadecanoate

OMI

OMI
Name:	1-methyl-1,2-dihydro-3H-indol-3-one
Formula:	C9 H9 N O
SMILES:	C1N(c2c(C1=O)cccc2)C
InChi:	InChI=1S/C9H9NO/c1-10-6-9(11)7-4-2-3-5-8(7)10/h2-5H,6H2,1H3
Definition date:	2016-02-29
Last modified:	2017-03-31
Release date:	2017-04-05
Identifier:	1-methyl-1,2-dihydro-3H-indol-3-one

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