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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

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

6O8

6O8
Name:	(4R,7S)-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-7-[(pentanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphatetradecan-1-aminium
Formula:	C19 H39 N O8 P
SMILES:	CCCCC(OCC(OC(=O)CCCCC)COP(OCC[N+](C)(C)C)(O)=O)=O
InChi:	InChI=1S/C19H38NO8P/c1-6-8-10-12-19(22)28-17(15-25-18(21)11-9-7-2)16-27-29(23,24)26-14-13-20(3,4)5/h17H,6-16H2,1-5H3/p+1/t17-/m0/s1
Definition date:	2016-05-12
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	(4R,7S)-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-7-[(pentanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphatetradecan-1-aminium

6O9

6O9
Name:	(2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
Formula:	C12 H24 N O8 P
SMILES:	NCCOP(=O)(O)OCC(COC(CCCC)=O)OC(=O)C
InChi:	InChI=1S/C12H24NO8P/c1-3-4-5-12(15)18-8-11(21-10(2)14)9-20-22(16,17)19-7-6-13/h11H,3-9,13H2,1-2H3,(H,16,17)/t11-/m0/s1
Definition date:	2016-05-12
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	(2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate

6OE

6OE
Name:	(2S)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl hexanoate
Formula:	C17 H34 N O8 P
SMILES:	NCCOP(=O)(O)OCC(COC(CCCCC)=O)OC(CCCCC)=O
InChi:	InChI=1S/C17H34NO8P/c1-3-5-7-9-16(19)23-13-15(26-17(20)10-8-6-4-2)14-25-27(21,22)24-12-11-18/h15H,3-14,18H2,1-2H3,(H,21,22)/t15-/m0/s1
Definition date:	2016-05-12
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	(2S)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl hexanoate

EHS

EHS
Name:	2S-2-[(2,3-DIHYDROXYPHENYL)CARBONYLAMINO]-3-[(2S)-2-[(2,3-DIHYDROXYPHENYL)CARBONYLAMINO]-3-HYDROXY-PROPANOYL]OXY-PROPANOIC ACID
Formula:	C20 H20 N2 O11
SMILES:	OC[CH](NC(=O)c1cccc(O)c1O)C(=O)OC[CH](NC(=O)c2cccc(O)c2O)C(O)=O
InChi:	InChI=1S/C20H20N2O11/c23-7-11(21-17(28)9-3-1-5-13(24)15(9)26)20(32)33-8-12(19(30)31)22-18(29)10-4-2-6-14(25)16(10)27/h1-6,11-12,23-27H,7-8H2,(H,21,28)(H,22,29)(H,30,31)/t11-,12-/m0/s1
Definition date:	2015-08-24
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	(2S)-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[(2S)-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanyl-propanoyl]oxy-propanoic acid

FNX

FNX
Name:	(4aS,6S)-2-amino-6-{(E)-[(4-methylphenyl)imino]methyl}-4-oxo-4,6,7,8-tetrahydropteridine-5(4aH)-carbaldehyde
Formula:	C15 H16 N6 O2
SMILES:	O=CN1C3C(NCC1[C@H]=Nc2ccc(cc2)C)=NC(=NC3=O)N
InChi:	InChI=1S/C15H16N6O2/c1-9-2-4-10(5-3-9)17-6-11-7-18-13-12(21(11)8-22)14(23)20-15(16)19-13/h2-6,8,11-12H,7H2,1H3,(H3,16,18,19,20,23)/b17-6+/t11-,12+/m1/s1
Definition date:	2016-04-06
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	(4aS,6S)-2-amino-6-{(E)-[(4-methylphenyl)imino]methyl}-4-oxo-4,6,7,8-tetrahydropteridine-5(4aH)-carbaldehyde

5QX

5QX
Name:	1-methyl-3,4-dihydroquinoxalin-2-one
Formula:	C9 H10 N2 O
SMILES:	CN1C(=O)CNc2ccccc12
InChi:	InChI=1S/C9H10N2O/c1-11-8-5-3-2-4-7(8)10-6-9(11)12/h2-5,10H,6H2,1H3
Definition date:	2015-11-12
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	1-methyl-3,4-dihydroquinoxalin-2-one

5QY

5QY
Name:	(3~{S})-3-methyl-3,4-dihydro-1~{H}-quinoxalin-2-one
Formula:	C9 H10 N2 O
SMILES:	C[CH]1Nc2ccccc2NC1=O
InChi:	InChI=1S/C9H10N2O/c1-6-9(12)11-8-5-3-2-4-7(8)10-6/h2-6,10H,1H3,(H,11,12)/t6-/m0/s1
Definition date:	2015-11-12
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	(3~{S})-3-methyl-3,4-dihydro-1~{H}-quinoxalin-2-one

5RN

5RN
Name:	1-(1~{H}-indol-3-yl)ethanone
Formula:	C10 H9 N O
SMILES:	CC(=O)c1c[nH]c2ccccc12
InChi:	InChI=1S/C10H9NO/c1-7(12)9-6-11-10-5-3-2-4-8(9)10/h2-6,11H,1H3
Definition date:	2015-11-18
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	1-(1~{H}-indol-3-yl)ethanone

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