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5GU

5GU
Name:	7-bromo-3,4-dihydroquinoxalin-2(1H)-one
Formula:	C8 H7 Br N2 O
SMILES:	O=C2CNc1ccc(Br)cc1N2
InChi:	InChI=1S/C8H7BrN2O/c9-5-1-2-6-7(3-5)11-8(12)4-10-6/h1-3,10H,4H2,(H,11,12)
Definition date:	2015-09-24
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	7-bromo-3,4-dihydroquinoxalin-2(1H)-one

5GV

5GV
Name:	(2R)-2-ethyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid
Formula:	C11 H12 N2 O3
SMILES:	O=C1C(Nc2c(N1)cc(cc2)C(O)=O)CC
InChi:	InChI=1S/C11H12N2O3/c1-2-7-10(14)13-9-5-6(11(15)16)3-4-8(9)12-7/h3-5,7,12H,2H2,1H3,(H,13,14)(H,15,16)/t7-/m1/s1
Definition date:	2015-09-24
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	(2R)-2-ethyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid

OE2

OE2
Name:	PSAMMAPLIN C
Formula:	C11 H14 Br N3 O5 S
SMILES:	N[S](=O)(=O)CCNC(=O)C(Cc1ccc(O)c(Br)c1)=NO
InChi:	InChI=1S/C11H14BrN3O5S/c12-8-5-7(1-2-10(8)16)6-9(15-18)11(17)14-3-4-21(13,19)20/h1-2,5,16,18H,3-4,6H2,(H,14,17)(H2,13,19,20)/b15-9+
Definition date:	2015-06-26
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	(2E)-3-(3-bromanyl-4-oxidanyl-phenyl)-2-hydroxyimino-N-(2-sulfamoylethyl)propanamide

A9H

A9H
Name:	Abietic acid
Formula:	C20 H30 O2
SMILES:	O=C(O)C1(CCCC2(C3C(=CCC12)C=C(CC3)C(C)C)C)C
InChi:	InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1
Definition date:	2013-07-22
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	(5beta)-abieta-7,13-dien-18-oic acid

4YO

4YO
Name:	6-bromo-3,4-dihydroquinoxalin-2(1H)-one
Formula:	C8 H7 Br N2 O
SMILES:	O=C2CNc1cc(Br)ccc1N2
InChi:	InChI=1S/C8H7BrN2O/c9-5-1-2-6-7(3-5)10-4-8(12)11-6/h1-3,10H,4H2,(H,11,12)
Definition date:	2015-06-25
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	6-bromo-3,4-dihydroquinoxalin-2(1H)-one

4YS

4YS
Name:	isoquinolin-1(2H)-one
Formula:	C9 H7 N O
SMILES:	c1cccc2c1C=CNC2=O
InChi:	InChI=1S/C9H7NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-6H,(H,10,11)
Definition date:	2015-06-26
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	isoquinolin-1(2H)-one

6BZ

6BZ
Name:	8-(3-aminopropyl)-6-[2-chloro-4-(3-methyl-2-oxopyrazin-1(2H)-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one
Formula:	C22 H22 Cl N7 O2
SMILES:	c2c(N1C=CN=C(C1=O)C)ccc(c2Cl)C=3C(N(c4c(C=3)cnc(n4)NC)CCCN)=O
InChi:	InChI=1S/C22H22ClN7O2/c1-13-20(31)29(9-7-26-13)15-4-5-16(18(23)11-15)17-10-14-12-27-22(25-2)28-19(14)30(21(17)32)8-3-6-24/h4-5,7,9-12H,3,6,8,24H2,1-2H3,(H,25,27,28)
Definition date:	2016-03-07
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	8-(3-aminopropyl)-6-[2-chloro-4-(3-methyl-2-oxopyrazin-1(2H)-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one

6EJ

6EJ
Name:	(1R)-1-[(4-{[(6,7-dihydro[1,4]dioxino[2,3-c]pyridazin-3-yl)methyl]amino}piperidin-1-yl)methyl]-9-fluoro-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one
Formula:	C24 H26 F N5 O3
SMILES:	c6c1c2c(C(CN2C(C=C1)=O)CN3CCC(CC3)NCc5cc4OCCOc4nn5)c(c6)F
InChi:	InChI=1S/C24H26FN5O3/c25-19-3-1-15-2-4-21(31)30-14-16(22(19)23(15)30)13-29-7-5-17(6-8-29)26-12-18-11-20-24(28-27-18)33-10-9-32-20/h1-4,11,16-17,26H,5-10,12-14H2/t16-/m1/s1
Definition date:	2016-03-23
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	(1R)-1-[(4-{[(6,7-dihydro[1,4]dioxino[2,3-c]pyridazin-3-yl)methyl]amino}piperidin-1-yl)methyl]-9-fluoro-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one

6ES

6ES
Name:	(2S)-1-{[(R)-hydroxy{[(1R,2R,3S,4S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-3-(pentanoyloxy)propan-2-yl decanoate
Formula:	C24 H45 O13 P
SMILES:	CCCCC(OCC(COP(O)(OC1C(C(C(C(C1O)O)O)O)O)=O)OC(=O)CCCCCCCCC)=O
InChi:	InChI=1S/C24H45O13P/c1-3-5-7-8-9-10-11-13-18(26)36-16(14-34-17(25)12-6-4-2)15-35-38(32,33)37-24-22(30)20(28)19(27)21(29)23(24)31/h16,19-24,27-31H,3-15H2,1-2H3,(H,32,33)/t16-,19-,20-,21-,22+,23-,24+/m0/s1
Definition date:	2016-03-23
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	(2S)-1-{[(R)-hydroxy{[(1R,2R,3S,4S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-3-(pentanoyloxy)propan-2-yl decanoate

6GN

6GN
Name:	1-(17-amino-5,8-dioxo-12,15-dioxa-4,9-diazaheptadecan-1-yl)-4-{[3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]methyl}quinolin-1-ium
Formula:	C33 H45 N5 O7 S2
SMILES:	C(N)COCCOCCNC(=O)CCC(NCCC[n+]3ccc(Cc2[n+](c1c(cccc1)s2)CCCS(O)(=O)=O)c4c3cccc4)=O
InChi:	InChI=1S/C33H43N5O7S2/c34-14-20-44-22-23-45-21-16-36-32(40)12-11-31(39)35-15-5-17-37-19-13-26(27-7-1-2-8-28(27)37)25-33-38(18-6-24-47(41,42)43)29-9-3-4-10-30(29)46-33/h1-4,7-10,13,19H,5-6,11-12,14-18,20-25,34H2,(H-2,35,36,39,40,41,42,43)/p+2
Definition date:	2016-04-06
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	1-(17-amino-5,8-dioxo-12,15-dioxa-4,9-diazaheptadecan-1-yl)-4-{[3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]methyl}quinolin-1-ium

6H5

6H5
Name:	4-[(N-{[2-(3-methoxyphenoxy)-6-(piperidin-1-yl)phenyl]methyl}carbamimidoyl)carbamoyl]-L-phenylalanine
Formula:	C30 H35 N5 O5
SMILES:	N(C(=N)NCc1c(cccc1Oc2cccc(c2)OC)N3CCCCC3)C(=O)c4ccc(cc4)CC(C(=O)O)N
InChi:	InChI=1S/C30H35N5O5/c1-39-22-7-5-8-23(18-22)40-27-10-6-9-26(35-15-3-2-4-16-35)24(27)19-33-30(32)34-28(36)21-13-11-20(12-14-21)17-25(31)29(37)38/h5-14,18,25H,2-4,15-17,19,31H2,1H3,(H,37,38)(H3,32,33,34,36)/t25-/m0/s1
Definition date:	2016-04-08
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	4-[(N-{[2-(3-methoxyphenoxy)-6-(piperidin-1-yl)phenyl]methyl}carbamimidoyl)carbamoyl]-L-phenylalanine

6HO

6HO
Name:	(2,5-dihydro-1H-pyrrol-1-yl)(3-fluorophenyl)methanone
Formula:	C11 H10 F N O
SMILES:	c1(cc(ccc1)C(=O)N2CC=CC2)F
InChi:	InChI=1S/C11H10FNO/c12-10-5-3-4-9(8-10)11(14)13-6-1-2-7-13/h1-5,8H,6-7H2
Definition date:	2016-04-12
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	(2,5-dihydro-1H-pyrrol-1-yl)(3-fluorophenyl)methanone

6HP

6HP
Name:	1,3-dimethyl-6-(2-methylpropoxy)pyrimidine-2,4(1H,3H)-dione
Formula:	C10 H16 N2 O3
SMILES:	CC(COC=1N(C(=O)N(C(C=1)=O)C)C)C
InChi:	InChI=1S/C10H16N2O3/c1-7(2)6-15-9-5-8(13)11(3)10(14)12(9)4/h5,7H,6H2,1-4H3
Definition date:	2016-04-12
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	1,3-dimethyl-6-(2-methylpropoxy)pyrimidine-2,4(1H,3H)-dione

6HQ

6HQ
Name:	1,5,5-trimethylimidazolidine-2,4-dione
Formula:	C6 H10 N2 O2
SMILES:	CN1C(=O)NC(=O)C1(C)C
InChi:	InChI=1S/C6H10N2O2/c1-6(2)4(9)7-5(10)8(6)3/h1-3H3,(H,7,9,10)
Definition date:	2016-04-12
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	1,5,5-trimethylimidazolidine-2,4-dione

6HR

6HR
Name:	3-{2-[(2',6-dimethyl[1,1'-biphenyl]-3-yl)amino]-1,3-thiazol-4-yl}propan-1-ol
Formula:	C20 H22 N2 O S
SMILES:	Cc1ccccc1c2c(ccc(c2)Nc3nc(CCCO)cs3)C
InChi:	InChI=1S/C20H22N2OS/c1-14-6-3-4-8-18(14)19-12-16(10-9-15(19)2)21-20-22-17(13-24-20)7-5-11-23/h3-4,6,8-10,12-13,23H,5,7,11H2,1-2H3,(H,21,22)
Definition date:	2016-04-12
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	3-{2-[(2',6-dimethyl[1,1'-biphenyl]-3-yl)amino]-1,3-thiazol-4-yl}propan-1-ol

6HU

6HU
Name:	(2S)-3-(3-{[4-(2-aminoethoxy)-2',6-dimethyl[1,1'-biphenyl]-3-yl]amino}-1H-pyrazol-1-yl)-2-methoxypropan-1-ol
Formula:	C23 H30 N4 O3
SMILES:	COC(CO)Cn3ccc(Nc1cc(c(cc1OCCN)C)c2c(cccc2)C)n3
InChi:	InChI=1S/C23H30N4O3/c1-16-6-4-5-7-19(16)20-13-21(22(12-17(20)2)30-11-9-24)25-23-8-10-27(26-23)14-18(15-28)29-3/h4-8,10,12-13,18,28H,9,11,14-15,24H2,1-3H3,(H,25,26)/t18-/m0/s1
Definition date:	2016-04-12
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	(2S)-3-(3-{[4-(2-aminoethoxy)-2',6-dimethyl[1,1'-biphenyl]-3-yl]amino}-1H-pyrazol-1-yl)-2-methoxypropan-1-ol

6HV

6HV
Name:	(2',6-dimethyl[1,1'-biphenyl]-3-yl)(1,3-thiazol-2-yl)methanone
Formula:	C18 H15 N O S
SMILES:	Cc1ccccc1c3c(ccc(C(=O)c2nccs2)c3)C
InChi:	InChI=1S/C18H15NOS/c1-12-5-3-4-6-15(12)16-11-14(8-7-13(16)2)17(20)18-19-9-10-21-18/h3-11H,1-2H3
Definition date:	2016-04-12
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	(2',6-dimethyl[1,1'-biphenyl]-3-yl)(1,3-thiazol-2-yl)methanone

6HW

6HW
Name:	N-(2',6-dimethyl[1,1'-biphenyl]-3-yl)-1,3-thiazol-2-amine
Formula:	C17 H16 N2 S
SMILES:	Cc1ccccc1c2c(ccc(c2)Nc3nccs3)C
InChi:	InChI=1S/C17H16N2S/c1-12-5-3-4-6-15(12)16-11-14(8-7-13(16)2)19-17-18-9-10-20-17/h3-11H,1-2H3,(H,18,19)
Definition date:	2016-04-12
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	N-(2',6-dimethyl[1,1'-biphenyl]-3-yl)-1,3-thiazol-2-amine

6HX

6HX
Name:	2'-chloro-6-methyl[1,1'-biphenyl]-3-amine
Formula:	C13 H12 Cl N
SMILES:	Cc1c(cc(N)cc1)c2ccccc2Cl
InChi:	InChI=1S/C13H12ClN/c1-9-6-7-10(15)8-12(9)11-4-2-3-5-13(11)14/h2-8H,15H2,1H3
Definition date:	2016-04-12
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	2'-chloro-6-methyl[1,1'-biphenyl]-3-amine

6HZ

6HZ
Name:	(2,5-dihydro-1H-pyrrol-1-yl)(2',6-dimethyl[1,1'-biphenyl]-3-yl)methanone
Formula:	C19 H19 N O
SMILES:	Cc1ccccc1c3cc(C(=O)N2CC=CC2)ccc3C
InChi:	InChI=1S/C19H19NO/c1-14-7-3-4-8-17(14)18-13-16(10-9-15(18)2)19(21)20-11-5-6-12-20/h3-10,13H,11-12H2,1-2H3
Definition date:	2016-04-12
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	(2,5-dihydro-1H-pyrrol-1-yl)(2',6-dimethyl[1,1'-biphenyl]-3-yl)methanone

6KN

6KN
Name:	4-(3-methylpyridin-4-yl)-6-(trifluoromethyl)-1H-indazole
Formula:	C14 H10 F3 N3
SMILES:	c3cc(c2c1cnnc1cc(c2)C(F)(F)F)c(C)cn3
InChi:	InChI=1S/C14H10F3N3/c1-8-6-18-3-2-10(8)11-4-9(14(15,16)17)5-13-12(11)7-19-20-13/h2-7H,1H3,(H,19,20)
Definition date:	2016-04-22
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	4-(3-methylpyridin-4-yl)-6-(trifluoromethyl)-1H-indazole

6KO

6KO
Name:	[(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl 2-methoxybenzoate
Formula:	C18 H19 N5 O3
SMILES:	c4c(C(=O)OCC1N(CCC1)c3ccnc2ncnn23)c(OC)ccc4
InChi:	InChI=1S/C18H19N5O3/c1-25-15-7-3-2-6-14(15)17(24)26-11-13-5-4-10-22(13)16-8-9-19-18-20-12-21-23(16)18/h2-3,6-9,12-13H,4-5,10-11H2,1H3/t13-/m1/s1
Definition date:	2016-04-22
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	[(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl 2-methoxybenzoate

6KP

6KP
Name:	7-fluoro-4-(5-methyl-3H-imidazo[4,5-b]pyridin-6-yl)-2,4-dihydropyrazolo[4,3-b]indole
Formula:	C16 H11 F N6
SMILES:	n1c(C)c(cc2c1ncn2)n4c3c(nnc3)c5cc(F)ccc45
InChi:	InChI=1S/C16H11FN6/c1-8-13(5-11-16(21-8)19-7-18-11)23-12-3-2-9(17)4-10(12)15-14(23)6-20-22-15/h2-7H,1H3,(H,20,22)(H,18,19,21)
Definition date:	2016-04-22
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	7-fluoro-4-(5-methyl-3H-imidazo[4,5-b]pyridin-6-yl)-2,4-dihydropyrazolo[4,3-b]indole

6KY

6KY
Name:	(2S)-2-(dimethylamino)-4-(methylselanyl)butanoic acid
Formula:	C7 H15 N O2 Se
SMILES:	N(C)(C(CC[Se]C)C(=O)O)C
InChi:	InChI=1S/C7H15NO2Se/c1-8(2)6(7(9)10)4-5-11-3/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m0/s1
Definition date:	2016-04-25
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	(2S)-2-(dimethylamino)-4-(methylselanyl)butanoic acid

6LO

6LO
Name:	N-[(3-{4-amino-5-[3-(benzyloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-7-yl}cyclobutyl)methyl]acetamide
Formula:	C26 H27 N5 O2
SMILES:	c12c(c(N)ncn1)c(cn2C3CC(C3)CNC(=O)C)c4cccc(c4)OCc5ccccc5
InChi:	InChI=1S/C26H27N5O2/c1-17(32)28-13-19-10-21(11-19)31-14-23(24-25(27)29-16-30-26(24)31)20-8-5-9-22(12-20)33-15-18-6-3-2-4-7-18/h2-9,12,14,16,19,21H,10-11,13,15H2,1H3,(H,28,32)(H2,27,29,30)
Definition date:	2016-05-02
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	N-[(3-{4-amino-5-[3-(benzyloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-7-yl}cyclobutyl)methyl]acetamide

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