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J4K

J4K
Name:	5-[(4-chloranylphenoxy)methyl]-1H-1,2,3,4-tetrazole
Formula:	C8 H7 Cl N4 O
SMILES:	Clc1ccc(OCc2[nH]nnn2)cc1
InChi:	InChI=1S/C8H7ClN4O/c9-6-1-3-7(4-2-6)14-5-8-10-12-13-11-8/h1-4H,5H2,(H,10,11,12,13)
Definition date:	2015-10-29
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	5-[(4-chloranylphenoxy)methyl]-1H-1,2,3,4-tetrazole

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

JB6

JB6
Name:	(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[2-[[(2S)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-2-oxidanyl-propoxy]-sulfanyl-phosphoryl]oxyethyl]oxolane-3,4-diol
Formula:	C24 H34 N10 O13 P2 S2
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CCO[P](S)(=O)OC[CH](O)CO[P](S)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O
InChi:	InChI=1S/C24H34N10O13P2S2/c25-19-13-21(29-6-27-19)33(8-31-13)23-17(38)15(36)11(46-23)1-2-42-48(40,50)43-3-10(35)4-44-49(41,51)45-5-12-16(37)18(39)24(47-12)34-9-32-14-20(26)28-7-30-22(14)34/h6-12,15-18,23-24,35-39H,1-5H2,(H,40,50)(H,41,51)(H2,25,27,29)(H2,26,28,30)/t10-,11+,12+,15+,16+,17+,18+,23+,24+,48+,49-/m0/s1
Definition date:	2015-04-30
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[2-[[(2S)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-2-oxidanyl-propoxy]-sulfanyl-phosphoryl]oxyethyl]oxolane-3,4-diol

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

JJB

JJB
Name:	N-(benzylsulfonyl)-4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)benzamide
Formula:	C29 H28 N4 O5 S
SMILES:	O=S(=O)(NC(c3cc(CNC(c1ccc(cc1)c2ncccn2)=O)c(OCCC)cc3)=O)Cc4ccccc4
InChi:	InChI=1S/C29H28N4O5S/c1-2-17-38-26-14-13-24(29(35)33-39(36,37)20-21-7-4-3-5-8-21)18-25(26)19-32-28(34)23-11-9-22(10-12-23)27-30-15-6-16-31-27/h3-16,18H,2,17,19-20H2,1H3,(H,32,34)(H,33,35)
Definition date:	2015-03-25
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	N-(benzylsulfonyl)-4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)benzamide

7F1

7F1
Name:	(2S)-N-[(E,2S)-1-(1H-indol-3-yl)-4-methylsulfonyl-but-3-en-2-yl]-2-[[(2S)-3-(1H-indol-3-yl)-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]-4-methyl-pentanamide
Formula:	C36 H46 N6 O6 S
SMILES:	CC(C)C[CH](NC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)CN3CCOCC3)C(=O)N[CH](Cc4c[nH]c5ccccc45)C=C[S](C)(=O)=O
InChi:	InChI=1S/C36H46N6O6S/c1-24(2)18-32(35(44)39-27(12-17-49(3,46)47)19-25-21-37-30-10-6-4-8-28(25)30)41-36(45)33(40-34(43)23-42-13-15-48-16-14-42)20-26-22-38-31-11-7-5-9-29(26)31/h4-12,17,21-22,24,27,32-33,37-38H,13-16,18-20,23H2,1-3H3,(H,39,44)(H,40,43)(H,41,45)/t27-,32+,33+/m1/s1
Definition date:	2015-11-04
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	(2S)-N-[(E,2S)-1-(1H-indol-3-yl)-4-methylsulfonyl-but-3-en-2-yl]-2-[[(2S)-3-(1H-indol-3-yl)-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]-4-methyl-pentanamide

46V

46V
Name:	1-(4-bromo-2-chlorophenyl)-3-methylthiourea
Formula:	C8 H8 Br Cl N2 S
SMILES:	Brc1cc(Cl)c(NC(=S)NC)cc1
InChi:	InChI=1S/C8H8BrClN2S/c1-11-8(13)12-7-3-2-5(9)4-6(7)10/h2-4H,1H3,(H2,11,12,13)
Definition date:	2015-02-11
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	1-(4-bromo-2-chlorophenyl)-3-methylthiourea

46W

46W
Name:	4-methylpiperidine-1-carboximidamide
Formula:	C7 H15 N3
SMILES:	[N@H]=C(N)N1CCC(C)CC1
InChi:	InChI=1S/C7H15N3/c1-6-2-4-10(5-3-6)7(8)9/h6H,2-5H2,1H3,(H3,8,9)
Definition date:	2015-02-11
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	4-methylpiperidine-1-carboximidamide

46X

46X
Name:	3-amino-5-(pyrrolidin-1-yl)-1H-pyrazole-4-carbonitrile
Formula:	C8 H11 N5
SMILES:	N#Cc2c(N1CCCC1)nnc2N
InChi:	InChI=1S/C8H11N5/c9-5-6-7(10)11-12-8(6)13-3-1-2-4-13/h1-4H2,(H3,10,11,12)
Definition date:	2015-02-11
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	3-amino-5-(pyrrolidin-1-yl)-1H-pyrazole-4-carbonitrile

47A

47A
Name:	2-amino-1-(4-bromophenyl)ethanone
Formula:	C8 H8 Br N O
SMILES:	O=C(c1ccc(Br)cc1)CN
InChi:	InChI=1S/C8H8BrNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H,5,10H2
Definition date:	2015-02-11
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	2-amino-1-(4-bromophenyl)ethanone

47B

47B
Name:	3-(3,4-difluorophenyl)imidazo[2,1-c][1,2,4]triazine
Formula:	C11 H6 F2 N4
SMILES:	Fc3ccc(c1nnc2nccn2c1)cc3F
InChi:	InChI=1S/C11H6F2N4/c12-8-2-1-7(5-9(8)13)10-6-17-4-3-14-11(17)16-15-10/h1-6H
Definition date:	2015-02-11
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	3-(3,4-difluorophenyl)imidazo[2,1-c][1,2,4]triazine

47E

47E
Name:	(2R)-(3-chlorophenyl)(hydroxy)ethanoic acid
Formula:	C8 H7 Cl O3
SMILES:	Clc1cc(ccc1)C(O)C(=O)O
InChi:	InChI=1S/C8H7ClO3/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)/t7-/m1/s1
Definition date:	2015-02-11
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	(2R)-(3-chlorophenyl)(hydroxy)ethanoic acid

47G

47G
Name:	5-(aminomethyl)-2-methoxyphenol
Formula:	C8 H11 N O2
SMILES:	Oc1cc(ccc1OC)CN
InChi:	InChI=1S/C8H11NO2/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4,10H,5,9H2,1H3
Definition date:	2015-02-11
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	5-(aminomethyl)-2-methoxyphenol

47J

47J
Name:	1-(1,3-dimethyl-1H-pyrazol-5-yl)methanamine
Formula:	C6 H11 N3
SMILES:	n1c(cc(n1C)CN)C
InChi:	InChI=1S/C6H11N3/c1-5-3-6(4-7)9(2)8-5/h3H,4,7H2,1-2H3
Definition date:	2015-02-11
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	1-(1,3-dimethyl-1H-pyrazol-5-yl)methanamine

47L

47L
Name:	N-[(2R)-tetrahydrofuran-2-ylmethyl]cyclohexanecarboxamide
Formula:	C12 H21 N O2
SMILES:	O=C(NCC1OCCC1)C2CCCCC2
InChi:	InChI=1S/C12H21NO2/c14-12(10-5-2-1-3-6-10)13-9-11-7-4-8-15-11/h10-11H,1-9H2,(H,13,14)/t11-/m1/s1
Definition date:	2015-02-11
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	N-[(2R)-tetrahydrofuran-2-ylmethyl]cyclohexanecarboxamide

47M

47M
Name:	1-[5-(trifluoromethyl)furan-2-yl]methanamine
Formula:	C6 H6 F3 N O
SMILES:	FC(F)(F)c1oc(cc1)CN
InChi:	InChI=1S/C6H6F3NO/c7-6(8,9)5-2-1-4(3-10)11-5/h1-2H,3,10H2
Definition date:	2015-02-11
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	1-[5-(trifluoromethyl)furan-2-yl]methanamine

47P

47P
Name:	2-({[(1S)-1-cyclopropylethyl](methyl)amino}methyl)quinazolin-4(3H)-one
Formula:	C15 H19 N3 O
SMILES:	O=C1c3ccccc3N=C(N1)CN(C(C)C2CC2)C
InChi:	InChI=1S/C15H19N3O/c1-10(11-7-8-11)18(2)9-14-16-13-6-4-3-5-12(13)15(19)17-14/h3-6,10-11H,7-9H2,1-2H3,(H,16,17,19)/t10-/m0/s1
Definition date:	2015-02-11
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	2-({[(1S)-1-cyclopropylethyl](methyl)amino}methyl)quinazolin-4(3H)-one

47Q

47Q
Name:	5-[(pyridin-2-ylmethyl)amino]-1,3-dihydro-2H-benzimidazol-2-one
Formula:	C13 H12 N4 O
SMILES:	O=C2Nc1ccc(cc1N2)NCc3ncccc3
InChi:	InChI=1S/C13H12N4O/c18-13-16-11-5-4-9(7-12(11)17-13)15-8-10-3-1-2-6-14-10/h1-7,15H,8H2,(H2,16,17,18)
Definition date:	2015-02-11
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	5-[(pyridin-2-ylmethyl)amino]-1,3-dihydro-2H-benzimidazol-2-one

47R

47R
Name:	(1Z)-N,N-diethylethanimidamide
Formula:	C6 H14 N2
SMILES:	[N@H]=C(N(CC)CC)C
InChi:	InChI=1S/C6H14N2/c1-4-8(5-2)6(3)7/h7H,4-5H2,1-3H3/b7-6-
Definition date:	2015-02-11
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	(1Z)-N,N-diethylethanimidamide

47S

47S
Name:	3-(dimethylamino)benzohydrazide
Formula:	C9 H13 N3 O
SMILES:	O=C(c1cc(N(C)C)ccc1)NN
InChi:	InChI=1S/C9H13N3O/c1-12(2)8-5-3-4-7(6-8)9(13)11-10/h3-6H,10H2,1-2H3,(H,11,13)
Definition date:	2015-02-11
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	3-(dimethylamino)benzohydrazide

47T

47T
Name:	(2R)-N-(trans-4-methylcyclohexyl)tetrahydrofuran-2-carboxamide
Formula:	C12 H21 N O2
SMILES:	O=C(NC1CCC(C)CC1)C2OCCC2
InChi:	InChI=1S/C12H21NO2/c1-9-4-6-10(7-5-9)13-12(14)11-3-2-8-15-11/h9-11H,2-8H2,1H3,(H,13,14)/t9-,10-,11-/m1/s1
Definition date:	2015-02-11
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	(2R)-N-(trans-4-methylcyclohexyl)tetrahydrofuran-2-carboxamide

47U

47U
Name:	N-(pyridin-2-yl)-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetamide
Formula:	C13 H16 N4 O
SMILES:	O=C(Nc1ncccc1)Cc2c(n(nc2C)C)C
InChi:	InChI=1S/C13H16N4O/c1-9-11(10(2)17(3)16-9)8-13(18)15-12-6-4-5-7-14-12/h4-7H,8H2,1-3H3,(H,14,15,18)
Definition date:	2015-02-11
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	N-(pyridin-2-yl)-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetamide

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