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2WK

2WK
Name:	N-[6-(5,6-dimethoxypyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide
Formula:	C16 H15 N3 O3 S
SMILES:	O=C(Nc1nc2ccc(cc2s1)c3cc(OC)c(OC)nc3)C
InChi:	InChI=1S/C16H15N3O3S/c1-9(20)18-16-19-12-5-4-10(7-14(12)23-16)11-6-13(21-2)15(22-3)17-8-11/h4-8H,1-3H3,(H,18,19,20)
Definition date:	2014-03-11
Last modified:	2014-05-09
Release date:	2014-05-14
Identifier:	N-[6-(5,6-dimethoxypyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide

2WM

2WM
Name:	(1S,8E)-1-{[(2S)-3-hydroxy-2-{[(1S)-1-hydroxyoctadecyl]oxy}propyl]oxy}octadec-8-en-1-ol
Formula:	C39 H78 O5
SMILES:	OC(OC(COC(O)CCCCCC/C=C/CCCCCCCCC)CO)CCCCCCCCCCCCCCCCC
InChi:	InChI=1S/C39H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h19,21,37-42H,3-18,20,22-36H2,1-2H3/b21-19+/t37-,38-,39-/m0/s1
Definition date:	2014-01-29
Last modified:	2014-05-09
Release date:	2014-05-14
Identifier:	(1S,8E)-1-{[(2S)-3-hydroxy-2-{[(1S)-1-hydroxyoctadecyl]oxy}propyl]oxy}octadec-8-en-1-ol

2X4

2X4
Name:	(4R,4a'S,10a'S)-7'-(5-chloropyridin-3-yl)-3',4',4a',10a'-tetrahydro-1'H-spiro[1,3-oxazole-4,5'-pyrano[3,4-b]chromen]-2-amine
Formula:	C19 H18 Cl N3 O3
SMILES:	Clc1cc(cnc1)c5cc3c(OC4COCCC4C32N=C(OC2)N)cc5
InChi:	InChI=1S/C19H18ClN3O3/c20-13-5-12(7-22-8-13)11-1-2-16-15(6-11)19(10-25-18(21)23-19)14-3-4-24-9-17(14)26-16/h1-2,5-8,14,17H,3-4,9-10H2,(H2,21,23)/t14-,17-,19-/m1/s1
Definition date:	2014-04-01
Last modified:	2014-05-09
Release date:	2014-05-14
Identifier:	(4R,4a'S,10a'S)-7'-(5-chloropyridin-3-yl)-3',4',4a',10a'-tetrahydro-1'H-spiro[1,3-oxazole-4,5'-pyrano[3,4-b]chromen]-2-amine

2X5

2X5
Name:	(4R,4a'R,10a'R)-7'-(5-chloropyridin-3-yl)-3',4',4a',10a'-tetrahydro-1'H-spiro[1,3-oxazole-4,5'-pyrano[3,4-b]chromen]-2-amine
Formula:	C19 H18 Cl N3 O3
SMILES:	Clc1cc(cnc1)c5cc3c(OC4COCCC4C32N=C(OC2)N)cc5
InChi:	InChI=1S/C19H18ClN3O3/c20-13-5-12(7-22-8-13)11-1-2-16-15(6-11)19(10-25-18(21)23-19)14-3-4-24-9-17(14)26-16/h1-2,5-8,14,17H,3-4,9-10H2,(H2,21,23)/t14-,17-,19+/m0/s1
Definition date:	2014-04-01
Last modified:	2014-05-09
Release date:	2014-05-14
Identifier:	(4R,4a'R,10a'R)-7'-(5-chloropyridin-3-yl)-3',4',4a',10a'-tetrahydro-1'H-spiro[1,3-oxazole-4,5'-pyrano[3,4-b]chromen]-2-amine

2ZC

2ZC
Name:	O-{[4-(2-aminoethyl)phenyl]sulfonyl}-L-serine
Formula:	C11 H16 N2 O5 S
SMILES:	O=C(O)C(N)COS(=O)(=O)c1ccc(cc1)CCN
InChi:	InChI=1S/C11H16N2O5S/c12-6-5-8-1-3-9(4-2-8)19(16,17)18-7-10(13)11(14)15/h1-4,10H,5-7,12-13H2,(H,14,15)/t10-/m0/s1
Definition date:	2014-05-01
Last modified:	2014-05-09
Release date:	2014-05-14
Identifier:	O-{[4-(2-aminoethyl)phenyl]sulfonyl}-L-serine

2ZQ

2ZQ
Name:	8-nitroquinoline
Formula:	C9 H6 N2 O2
SMILES:	[O-][N+](=O)c1cccc2cccnc12
InChi:	InChI=1S/C9H6N2O2/c12-11(13)8-5-1-3-7-4-2-6-10-9(7)8/h1-6H
Definition date:	2013-09-20
Last modified:	2014-05-09
Release date:	2014-05-14
Identifier:	8-nitroquinoline

2ZT

2ZT
Name:	2-[(quinolin-7-yloxy)methyl]quinoline
Formula:	C19 H14 N2 O
SMILES:	n4c3cc(OCc1nc2ccccc2cc1)ccc3ccc4
InChi:	InChI=1S/C19H14N2O/c1-2-6-18-14(4-1)7-9-16(21-18)13-22-17-10-8-15-5-3-11-20-19(15)12-17/h1-12H,13H2
Definition date:	2013-09-20
Last modified:	2014-05-09
Release date:	2014-05-14
Identifier:	2-[(quinolin-7-yloxy)methyl]quinoline

2ZU

2ZU
Name:	2-{[(2-methyl-1,3-benzothiazol-5-yl)oxy]methyl}quinoline
Formula:	C18 H14 N2 O S
SMILES:	n3c4cc(OCc1nc2c(cc1)cccc2)ccc4sc3C
InChi:	InChI=1S/C18H14N2OS/c1-12-19-17-10-15(8-9-18(17)22-12)21-11-14-7-6-13-4-2-3-5-16(13)20-14/h2-10H,11H2,1H3
Definition date:	2013-09-23
Last modified:	2014-05-09
Release date:	2014-05-14
Identifier:	2-{[(2-methyl-1,3-benzothiazol-5-yl)oxy]methyl}quinoline

2ZV

2ZV
Name:	4-methyl-3-nitropyridin-2-amine
Formula:	C6 H7 N3 O2
SMILES:	O=[N+]([O-])c1c(ccnc1N)C
InChi:	InChI=1S/C6H7N3O2/c1-4-2-3-8-6(7)5(4)9(10)11/h2-3H,1H3,(H2,7,8)
Definition date:	2013-09-20
Last modified:	2014-05-09
Release date:	2014-05-14
Identifier:	4-methyl-3-nitropyridin-2-amine

2ZX

2ZX
Name:	6-chloropyrimidine-2,4-diamine
Formula:	C4 H5 Cl N4
SMILES:	Clc1nc(nc(N)c1)N
InChi:	InChI=1S/C4H5ClN4/c5-2-1-3(6)9-4(7)8-2/h1H,(H4,6,7,8,9)
Definition date:	2013-09-20
Last modified:	2014-05-09
Release date:	2014-05-14
Identifier:	6-chloropyrimidine-2,4-diamine

1R2

1R2
Name:	3-hydroxy-5-(3-nitrophenoxy)benzoic acid
Formula:	C13 H9 N O6
SMILES:	O=C(O)c2cc(Oc1cccc(c1)[N+]([O-])=O)cc(O)c2
InChi:	InChI=1S/C13H9NO6/c15-10-4-8(13(16)17)5-12(7-10)20-11-3-1-2-9(6-11)14(18)19/h1-7,15H,(H,16,17)
Definition date:	2013-05-02
Last modified:	2014-05-09
Release date:	2014-05-14
Identifier:	3-hydroxy-5-(3-nitrophenoxy)benzoic acid

MRW

MRW
Name:	7-chloroquinolin-4-ol
Formula:	C9 H6 Cl N O
SMILES:	Clc1cc2nccc(O)c2cc1
InChi:	InChI=1S/C9H6ClNO/c10-6-1-2-7-8(5-6)11-4-3-9(7)12/h1-5H,(H,11,12)
Definition date:	2013-09-20
Last modified:	2014-05-09
Release date:	2014-05-14
Identifier:	7-chloroquinolin-4-ol

3WM

3WM
Name:	(1S,8E,1'R,8'Z)-1,1'-{[(2S)-3-hydroxypropane-1,2-diyl]bis(oxy)}bisoctadec-8-en-1-ol
Formula:	C39 H76 O5
SMILES:	OC(OC(COC(O)CCCCCCC=C/CCCCCCCCC)CO)CCCCCC/C=C/CCCCCCCCC
InChi:	InChI=1S/C39H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h19-22,37-42H,3-18,23-36H2,1-2H3/b21-19-,22-20+/t37-,38+,39-/m0/s1
Definition date:	2014-01-29
Last modified:	2014-05-09
Release date:	2014-05-14
Identifier:	(1S,8E,1'R,8'Z)-1,1'-{[(2S)-3-hydroxypropane-1,2-diyl]bis(oxy)}bisoctadec-8-en-1-ol

436

436
Name:	(2S)-N-{(2R)-1-[(2R,4S)-2-{[6,6'-difluoro-3'-({(2R,4S)-4-hydroxy-1-[(2S)-2-{[(2S)-2-(methylamino)propanoyl]amino}butanoyl]pyrrolidin-2-yl}methyl)-1H,1'H-2,2'-biindol-3-yl]methyl}-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl}-2-(methylamino)propanamide
Formula:	C42 H56 F2 N8 O6
SMILES:	O=C(N6C(Cc5c1ccc(F)cc1nc5c3c(c2ccc(F)cc2n3)CC4N(C(=O)C(NC(=O)C(NC)C)CC)CC(O)C4)CC(O)C6)C(NC(=O)C(NC)C)CC
InChi:	InChI=1S/C42H56F2N8O6/c1-7-33(49-39(55)21(3)45-5)41(57)51-19-27(53)15-25(51)17-31-29-11-9-23(43)13-35(29)47-37(31)38-32(30-12-10-24(44)14-36(30)48-38)18-26-16-28(54)20-52(26)42(58)34(8-2)50-40(56)22(4)46-6/h9-14,21-22,25-28,33-34,45-48,53-54H,7-8,15-20H2,1-6H3,(H,49,55)(H,50,56)/t21-,22-,25-,26-,27-,28-,33-,34+/m0/s1
Definition date:	2013-05-22
Last modified:	2014-05-09
Release date:	2014-05-14
Identifier:	(2S)-N-{(2R)-1-[(2R,4S)-2-{[6,6'-difluoro-3'-({(2R,4S)-4-hydroxy-1-[(2S)-2-{[(2S)-2-(methylamino)propanoyl]amino}butanoyl]pyrrolidin-2-yl}methyl)-1H,1'H-2,2'-biindol-3-yl]methyl}-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl}-2-(methylamino)propanamide (non-preferred name)

481

481
Name:	4-tert-butyl-N-{3-[8-({4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}amino)imidazo[1,2-a]pyrazin-6-yl]phenyl}benzamide
Formula:	C35 H37 N7 O2
SMILES:	O=C(N1CCN(C)CC1)c6ccc(Nc5nc(c3cccc(NC(=O)c2ccc(cc2)C(C)(C)C)c3)cn4ccnc45)cc6
InChi:	InChI=1S/C35H37N7O2/c1-35(2,3)27-12-8-24(9-13-27)33(43)38-29-7-5-6-26(22-29)30-23-42-17-16-36-32(42)31(39-30)37-28-14-10-25(11-15-28)34(44)41-20-18-40(4)19-21-41/h5-17,22-23H,18-21H2,1-4H3,(H,37,39)(H,38,43)
Definition date:	2014-02-19
Last modified:	2014-05-09
Release date:	2014-05-14
Identifier:	4-tert-butyl-N-{3-[8-({4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}amino)imidazo[1,2-a]pyrazin-6-yl]phenyl}benzamide

6DH

6DH
Name:	3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-1-ol
Formula:	C11 H11 F3 N2 O
SMILES:	FC(F)(F)c1ccc2nc(nc2c1)CCCO
InChi:	InChI=1S/C11H11F3N2O/c12-11(13,14)7-3-4-8-9(6-7)16-10(15-8)2-1-5-17/h3-4,6,17H,1-2,5H2,(H,15,16)
Definition date:	2013-12-13
Last modified:	2014-05-09
Release date:	2014-05-14
Identifier:	3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-1-ol

6NT

6NT
Name:	6-NITROBENZOTRIAZOLE
Formula:	C6 H4 N4 O2
SMILES:	[O-][N+](=O)c1ccc2nnnc2c1
InChi:	InChI=1S/C6H4N4O2/c11-10(12)4-1-2-5-6(3-4)8-9-7-5/h1-3H,(H,7,8,9)
Definition date:	2013-06-06
Last modified:	2014-05-09
Release date:	2013-10-16
Identifier:	6-nitro-1H-benzotriazole

2D0

2D0
Name:	4-chloro-1,3-benzothiazol-2-amine
Formula:	C7 H5 Cl N2 S
SMILES:	Clc2cccc1sc(nc12)N
InChi:	InChI=1S/C7H5ClN2S/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H,(H2,9,10)
Definition date:	2013-09-23
Last modified:	2014-05-09
Release date:	2014-05-14
Identifier:	4-chloro-1,3-benzothiazol-2-amine

2EX

2EX
Name:	(4R,4a'S,10a'S)-2-amino-8'-(2-fluoropyridin-3-yl)-1-methyl-3',4',4a',10a'-tetrahydro-1'H-spiro[imidazole-4,10'-pyrano[4,3-b]chromen]-5(1H)-one
Formula:	C20 H19 F N4 O3
SMILES:	Fc1ncccc1c5cc3c(OC4C(C32N=C(N)N(C2=O)C)COCC4)cc5
InChi:	InChI=1S/C20H19FN4O3/c1-25-18(26)20(24-19(25)22)13-9-11(12-3-2-7-23-17(12)21)4-5-15(13)28-16-6-8-27-10-14(16)20/h2-5,7,9,14,16H,6,8,10H2,1H3,(H2,22,24)/t14-,16-,20-/m0/s1
Definition date:	2013-10-02
Last modified:	2014-05-09
Release date:	2014-05-14
Identifier:	(4R,4a'S,10a'S)-2-amino-8'-(2-fluoropyridin-3-yl)-1-methyl-3',4',4a',10a'-tetrahydro-1'H-spiro[imidazole-4,10'-pyrano[4,3-b]chromen]-5(1H)-one

2JR

2JR
Name:	5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole
Formula:	C21 H25 N3 S
SMILES:	n1cc(sc1c3cc2ccnc2cc3)C5(N4CCCC4)CCCCC5
InChi:	InChI=1S/C21H25N3S/c1-2-9-21(10-3-1,24-12-4-5-13-24)19-15-23-20(25-19)17-6-7-18-16(14-17)8-11-22-18/h6-8,11,14-15,22H,1-5,9-10,12-13H2
Definition date:	2013-11-07
Last modified:	2014-05-09
Release date:	2014-05-14
Identifier:	5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole

2O6

2O6
Name:	5-(trifluoromethyl)-1,2-benzoxazol-3-amine
Formula:	C8 H5 F3 N2 O
SMILES:	FC(F)(F)c2cc1c(onc1N)cc2
InChi:	InChI=1S/C8H5F3N2O/c9-8(10,11)4-1-2-6-5(3-4)7(12)13-14-6/h1-3H,(H2,12,13)
Definition date:	2013-12-13
Last modified:	2014-05-09
Release date:	2014-05-14
Identifier:	5-(trifluoromethyl)-1,2-benzoxazol-3-amine

2O8

2O8
Name:	4-[(trifluoromethyl)sulfanyl]benzamide
Formula:	C8 H6 F3 N O S
SMILES:	FC(F)(F)Sc1ccc(cc1)C(=O)N
InChi:	InChI=1S/C8H6F3NOS/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h1-4H,(H2,12,13)
Definition date:	2013-12-13
Last modified:	2014-05-09
Release date:	2014-05-14
Identifier:	4-[(trifluoromethyl)sulfanyl]benzamide

GJB

GJB
Name:	1-(2-phenylethyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Formula:	C12 H12 N2 O3
SMILES:	O=C1N(C(=O)CC(=O)N1)CCc2ccccc2
InChi:	InChI=1S/C12H12N2O3/c15-10-8-11(16)14(12(17)13-10)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,15,17)
Definition date:	2012-07-30
Last modified:	2014-05-09
Release date:	2012-10-26
Identifier:	1-(2-phenylethyl)pyrimidine-2,4,6(1H,3H,5H)-trione

GT6

GT6
Name:	(2S,2'S)-N,N'-[(6,6'-difluoro-1H,1'H-2,2'-biindole-3,3'-diyl)bis{methanediyl[(2R,4S)-4-hydroxypyrrolidine-2,1-diyl][(2S)-1-oxobutane-1,2-diyl]}]bis[2-(methylamino)propanamide]
Formula:	C42 H56 F2 N8 O6
SMILES:	O=C(N6C(Cc5c1ccc(F)cc1nc5c3c(c2ccc(F)cc2n3)CC4N(C(=O)C(NC(=O)C(NC)C)CC)CC(O)C4)CC(O)C6)C(NC(=O)C(NC)C)CC
InChi:	InChI=1S/C42H56F2N8O6/c1-7-33(49-39(55)21(3)45-5)41(57)51-19-27(53)15-25(51)17-31-29-11-9-23(43)13-35(29)47-37(31)38-32(30-12-10-24(44)14-36(30)48-38)18-26-16-28(54)20-52(26)42(58)34(8-2)50-40(56)22(4)46-6/h9-14,21-22,25-28,33-34,45-48,53-54H,7-8,15-20H2,1-6H3,(H,49,55)(H,50,56)/t21-,22-,25-,26-,27-,28-,33-,34-/m0/s1
Definition date:	2013-05-22
Last modified:	2014-05-09
Release date:	2014-05-14
Identifier:	(2S,2'S)-N,N'-[(6,6'-difluoro-1H,1'H-2,2'-biindole-3,3'-diyl)bis{methanediyl[(2R,4S)-4-hydroxypyrrolidine-2,1-diyl][(2S)-1-oxobutane-1,2-diyl]}]bis[2-(methylamino)propanamide] (non-preferred name)

IBH

IBH
Name:	(NZ)-2-[2,6-bis(fluoranyl)phenyl]-N-[5-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-1-oxidanyl-ethyl]-3H-1,3,4-thiadiazol-2-ylidene]ethanamide
Formula:	C16 H14 F2 N4 O2 S2
SMILES:	O=C(N=C1/SC(=NN1)C(O)(c2nc(cs2)C)C)Cc3c(F)cccc3F
InChi:	InChI=1S/C16H14F2N4O2S2/c1-8-7-25-13(19-8)16(2,24)14-21-22-15(26-14)20-12(23)6-9-10(17)4-3-5-11(9)18/h3-5,7,24H,6H2,1-2H3,(H,20,22,23)/t16-/m0/s1
Definition date:	2013-05-31
Last modified:	2014-05-09
Release date:	2013-12-11
Identifier:	2-(2,6-difluorophenyl)-N-[(2Z)-5-[(1R)-1-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2(3H)-ylidene]acetamide

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