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LF8

LF8
Name:	(2S)-tert-butoxy[4-(4-chlorophenyl)-6-(3,4-dimethylphenyl)-2,5-dimethylpyridin-3-yl]ethanoic acid
Formula:	C27 H30 Cl N O3
SMILES:	O=C(O)C(OC(C)(C)C)c1c(c(c(nc1C)c2ccc(c(c2)C)C)C)c3ccc(Cl)cc3
InChi:	InChI=1S/C27H30ClNO3/c1-15-8-9-20(14-16(15)2)24-17(3)22(19-10-12-21(28)13-11-19)23(18(4)29-24)25(26(30)31)32-27(5,6)7/h8-14,25H,1-7H3,(H,30,31)/t25-/m0/s1
Definition date:	2014-01-03
Last modified:	2014-06-27
Release date:	2014-07-02
Identifier:	(2S)-tert-butoxy[4-(4-chlorophenyl)-6-(3,4-dimethylphenyl)-2,5-dimethylpyridin-3-yl]ethanoic acid

LF9

LF9
Name:	(2S)-tert-butoxy[6-(5-chloro-1H-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid
Formula:	C26 H26 Cl N3 O3
SMILES:	O=C(O)C(OC(C)(C)C)c2c(c1ccccc1)c(c(nc2C)c4nc3cc(Cl)ccc3n4)C
InChi:	InChI=1S/C26H26ClN3O3/c1-14-20(16-9-7-6-8-10-16)21(23(25(31)32)33-26(3,4)5)15(2)28-22(14)24-29-18-12-11-17(27)13-19(18)30-24/h6-13,23H,1-5H3,(H,29,30)(H,31,32)/t23-/m0/s1
Definition date:	2014-01-02
Last modified:	2014-06-27
Release date:	2014-07-02
Identifier:	(2S)-tert-butoxy[6-(5-chloro-1H-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid

2UR

2UR
Name:	(2R)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide
Formula:	C10 H10 F N O2
SMILES:	Fc2cc1c(OC(C1)C)c(c2)C(=O)N
InChi:	InChI=1S/C10H10FNO2/c1-5-2-6-3-7(11)4-8(10(12)13)9(6)14-5/h3-5H,2H2,1H3,(H2,12,13)/t5-/m1/s1
Definition date:	2014-02-12
Last modified:	2014-06-27
Release date:	2014-07-02
Identifier:	(2R)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide

2US

2US
Name:	(2Z)-2-(2,4-dihydroxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide
Formula:	C16 H11 N O5
SMILES:	O=C(c3cccc1c3O/C(C1=O)=Cc2ccc(O)cc2O)N
InChi:	InChI=1S/C16H11NO5/c17-16(21)11-3-1-2-10-14(20)13(22-15(10)11)6-8-4-5-9(18)7-12(8)19/h1-7,18-19H,(H2,17,21)/b13-6-
Definition date:	2014-02-12
Last modified:	2014-06-27
Release date:	2014-07-02
Identifier:	(2Z)-2-(2,4-dihydroxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide

2UT

2UT
Name:	(2Z)-2-{4-[2-(morpholin-4-yl)ethoxy]benzylidene}-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide
Formula:	C22 H22 N2 O5
SMILES:	O=C1c4cccc(C(=O)N)c4O/C1=Cc3ccc(OCCN2CCOCC2)cc3
InChi:	InChI=1S/C22H22N2O5/c23-22(26)18-3-1-2-17-20(25)19(29-21(17)18)14-15-4-6-16(7-5-15)28-13-10-24-8-11-27-12-9-24/h1-7,14H,8-13H2,(H2,23,26)/b19-14-
Definition date:	2014-02-12
Last modified:	2014-06-27
Release date:	2014-07-02
Identifier:	(2Z)-2-{4-[2-(morpholin-4-yl)ethoxy]benzylidene}-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide

2W6

2W6
Name:	N-{1-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1H-pyrazol-4-yl}-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
Formula:	C24 H32 N6 O
SMILES:	O=C(c1nnc2c1CCC(C2)(C)C)Nc3cn(nc3)C(c4ccccc4)CCN(C)C
InChi:	InChI=1S/C24H32N6O/c1-24(2)12-10-19-20(14-24)27-28-22(19)23(31)26-18-15-25-30(16-18)21(11-13-29(3)4)17-8-6-5-7-9-17/h5-9,15-16,21H,10-14H2,1-4H3,(H,26,31)(H,27,28)/t21-/m0/s1
Definition date:	2014-03-06
Last modified:	2014-06-27
Release date:	2014-07-02
Identifier:	N-{1-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1H-pyrazol-4-yl}-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

2WL

2WL
Name:	(1-benzyl-1H-imidazol-4-yl)[4-(2-chlorophenyl)piperazin-1-yl]methanone
Formula:	C21 H21 Cl N4 O
SMILES:	O=C(c1ncn(c1)Cc2ccccc2)N4CCN(c3ccccc3Cl)CC4
InChi:	InChI=1S/C21H21ClN4O/c22-18-8-4-5-9-20(18)25-10-12-26(13-11-25)21(27)19-15-24(16-23-19)14-17-6-2-1-3-7-17/h1-9,15-16H,10-14H2
Definition date:	2014-03-12
Last modified:	2014-06-27
Release date:	2014-07-02
Identifier:	(1-benzyl-1H-imidazol-4-yl)[4-(2-chlorophenyl)piperazin-1-yl]methanone

30G

30G
Name:	3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one
Formula:	C10 H9 N3 O2
SMILES:	O=C3NN=C1N(c2c(OC1)cccc2)C3
InChi:	InChI=1S/C10H9N3O2/c14-10-5-13-7-3-1-2-4-8(7)15-6-9(13)11-12-10/h1-4H,5-6H2,(H,12,14)
Definition date:	2014-05-07
Last modified:	2014-06-27
Release date:	2014-07-02
Identifier:	3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one

B5H

B5H
Name:	(5Z)-5-[(3-bromophenyl)methylidene]imidazolidine-2,4-dione
Formula:	C10 H7 Br N2 O2
SMILES:	O=C2NC(=Cc1cc(Br)ccc1)/C(=O)N2
InChi:	InChI=1S/C10H7BrN2O2/c11-7-3-1-2-6(4-7)5-8-9(14)13-10(15)12-8/h1-5H,(H2,12,13,14,15)/b8-5-
Definition date:	2014-05-01
Last modified:	2014-06-27
Release date:	2014-07-02
Identifier:	(5Z)-5-(3-bromobenzylidene)imidazolidine-2,4-dione

P9G

P9G
Name:	diamino(2'-deoxy-5'-guanylic acid-kappaN~8~)(phenanthridine)platinum
Formula:	C23 H27 N8 O7 P Pt
SMILES:	O=P(O)(O)OCC6OC(n2cn(c1c2N=C(N)NC1=O)[Pt](N)(N)n5c3ccccc3c4ccccc4c5)CC6O
InChi:	InChI=1S/C13H9N.C10H14N5O7P.2H2N.Pt/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13
Definition date:	2014-05-02
Last modified:	2014-06-27
Release date:	2014-07-02
Identifier:	diamino(2'-deoxy-5'-guanylic acid-kappaN~8~)(phenanthridine)platinum

PZW

PZW
Name:	(1R)-9-(azetidin-3-ylamino)-1,8-dimethyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one
Formula:	C15 H19 N5 O2
SMILES:	O=C4NN=C1N(c3c(OC1)cc(c(NC2CNC2)c3)C)C4C
InChi:	InChI=1S/C15H19N5O2/c1-8-3-13-12(4-11(8)17-10-5-16-6-10)20-9(2)15(21)19-18-14(20)7-22-13/h3-4,9-10,16-17H,5-7H2,1-2H3,(H,19,21)/t9-/m1/s1
Definition date:	2014-05-07
Last modified:	2014-06-27
Release date:	2014-07-02
Identifier:	(1R)-9-(azetidin-3-ylamino)-1,8-dimethyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one

TM4

TM4
Name:	3-hydroxy-2-methyl-4H-pyran-4-thione
Formula:	C6 H6 O2 S
SMILES:	S=C1C(O)=C(OC=C1)C
InChi:	InChI=1S/C6H6O2S/c1-4-6(7)5(9)2-3-8-4/h2-3,7H,1H3
Definition date:	2013-09-17
Last modified:	2014-06-27
Release date:	2014-07-02
Identifier:	3-hydroxy-2-methyl-4H-pyran-4-thione

TM7

TM7
Name:	5-hydroxy-2-methyl-4H-pyran-4-thione
Formula:	C6 H6 O2 S
SMILES:	S=C1C=C(OC=C1O)C
InChi:	InChI=1S/C6H6O2S/c1-4-2-6(9)5(7)3-8-4/h2-3,7H,1H3
Definition date:	2013-09-17
Last modified:	2014-06-27
Release date:	2014-07-02
Identifier:	5-hydroxy-2-methyl-4H-pyran-4-thione

EDI

EDI
Name:	2'-deoxy-1-(2-iodoethyl)inosine
Formula:	C12 H16 I N4 O7 P
SMILES:	O=P(O)(O)OCC3OC(n2cnc1c2N=CN(C1=O)CCI)CC3O
InChi:	InChI=1S/C12H16IN4O7P/c13-1-2-16-5-15-11-10(12(16)19)14-6-17(11)9-3-7(18)8(24-9)4-23-25(20,21)22/h5-9,18H,1-4H2,(H2,20,21,22)/t7-,8+,9+/m0/s1
Definition date:	2014-05-19
Last modified:	2014-06-27
Release date:	2014-07-02
Identifier:	2'-deoxy-1-(2-iodoethyl)inosine 5'-(dihydrogen phosphate)

5ND

5ND
Name:	5-(2-NAPHTHYLMETHYL)-D-HYDANTOIN
Formula:	C14 H12 N2 O2
SMILES:	O=C1NC(=O)C(N1)Cc2ccc3c(c2)cccc3
InChi:	InChI=1S/C14H12N2O2/c17-13-12(15-14(18)16-13)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8H2,(H2,15,16,17,18)/t12-/m1/s1
Definition date:	2014-05-01
Last modified:	2014-06-27
Release date:	2014-07-02
Identifier:	(5R)-5-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione

5NL

5NL
Name:	5-(2-NAPHTHYLMETHYL)-L-HYDANTOIN
Formula:	C14 H12 N2 O2
SMILES:	O=C1NC(=O)C(N1)Cc2ccc3c(c2)cccc3
InChi:	InChI=1S/C14H12N2O2/c17-13-12(15-14(18)16-13)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8H2,(H2,15,16,17,18)/t12-/m0/s1
Definition date:	2014-05-01
Last modified:	2014-06-27
Release date:	2014-07-02
Identifier:	(5S)-5-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione

20W

20W
Name:	(2S,3R,4R,5R)-N-(4-carbamoyl-2-methoxyphenyl)-2'-chloro-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-5'-oxo-4',5'-dihydrospiro[pyrrolidine-3,6'-thieno[3,2-b]pyrrole]-5-carboxamide
Formula:	C29 H29 Cl2 F N4 O4 S
SMILES:	O=C(N)c1ccc(c(OC)c1)NC(=O)C5NC(C3(C(=O)Nc2cc(Cl)sc23)C5c4cccc(Cl)c4F)CC(C)(C)C
InChi:	InChI=1S/C29H29Cl2FN4O4S/c1-28(2,3)12-19-29(24-17(35-27(29)39)11-20(31)41-24)21(14-6-5-7-15(30)22(14)32)23(36-19)26(38)34-16-9-8-13(25(33)37)10-18(16)40-4/h5-11,19,21,23,36H,12H2,1-4H3,(H2,33,37)(H,34,38)(H,35,39)/t19-,21-,23+,29+/m0/s1
Definition date:	2013-08-13
Last modified:	2014-06-27
Release date:	2014-07-02
Identifier:	(2S,3R,4R,5R)-N-(4-carbamoyl-2-methoxyphenyl)-2'-chloro-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-5'-oxo-4',5'-dihydrospiro[pyrrolidine-3,6'-thieno[3,2-b]pyrrole]-5-carboxamide

I5H

I5H
Name:	(5S)-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
Formula:	C12 H11 N3 O2
SMILES:	O=C1NC(=O)C(N1)Cc2cnc3ccccc23
InChi:	InChI=1S/C12H11N3O2/c16-11-10(14-12(17)15-11)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6,10,13H,5H2,(H2,14,15,16,17)/t10-/m0/s1
Definition date:	2014-05-02
Last modified:	2014-06-27
Release date:	2014-07-02
Identifier:	(5S)-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione

YL3

YL3
Name:	({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methyl)phosphonic acid
Formula:	C14 H14 N3 O3 P S
SMILES:	O=P(O)(O)CNc1ncnc2sc(cc12)c3ccc(cc3)C
InChi:	InChI=1S/C14H14N3O3PS/c1-9-2-4-10(5-3-9)12-6-11-13(17-8-21(18,19)20)15-7-16-14(11)22-12/h2-7H,8H2,1H3,(H,15,16,17)(H2,18,19,20)
Definition date:	2013-07-18
Last modified:	2014-06-20
Release date:	2014-06-25
Identifier:	({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methyl)phosphonic acid

YXX

YXX
Name:	chloro(1-{5-[di(pyridin-2-yl-kappaN)amino]pentyl}pyrrolidine-2,5-dione)ruthenium
Formula:	C19 H22 Cl N4 O2 Ru
SMILES:	O=C1N(C(=O)CC1)CCCCCN3c2n(cccc2)[Ru](Cl)n4c3cccc4
InChi:	InChI=1S/C19H22N4O2.ClH.Ru/c24-18-10-11-19(25)23(18)15-7-1-6-14-22(16-8-2-4-12-20-16)17-9-3-5-13-21-17
Definition date:	2013-05-27
Last modified:	2014-06-20
Release date:	2014-06-25
Identifier:	chloro(1-{5-[di(pyridin-2-yl-kappaN)amino]pentyl}pyrrolidine-2,5-dione)ruthenium

YXZ

YXZ
Name:	chloro[N,N-di(pyridin-2-yl-kappaN)pentane-1,5-diamine]ruthenium
Formula:	C15 H20 Cl N4 Ru
SMILES:	Cl[Ru]3n1ccccc1N(c2n3cccc2)CCCCCN
InChi:	InChI=1S/C15H20N4.ClH.Ru/c16-10-4-1-7-13-19(14-8-2-5-11-17-14)15-9-3-6-12-18-15
Definition date:	2013-05-24
Last modified:	2014-06-20
Release date:	2014-06-25
Identifier:	chloro[N,N-di(pyridin-2-yl-kappaN)pentane-1,5-diamine]ruthenium

2WW

2WW
Name:	[(1S)-1-amino-3-methylbutyl]phosphonic acid
Formula:	C5 H14 N O3 P
SMILES:	O=P(O)(O)C(N)CC(C)C
InChi:	InChI=1S/C5H14NO3P/c1-4(2)3-5(6)10(7,8)9/h4-5H,3,6H2,1-2H3,(H2,7,8,9)/t5-/m0/s1
Definition date:	2014-03-21
Last modified:	2014-06-20
Release date:	2014-06-25
Identifier:	[(1S)-1-amino-3-methylbutyl]phosphonic acid

2X0

2X0
Name:	[(1R)-1-amino-3-phenylpropyl]phosphonic acid
Formula:	C9 H14 N O3 P
SMILES:	O=P(O)(O)C(N)CCc1ccccc1
InChi:	InChI=1S/C9H14NO3P/c10-9(14(11,12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,10H2,(H2,11,12,13)/t9-/m1/s1
Definition date:	2014-03-26
Last modified:	2014-06-20
Release date:	2014-06-25
Identifier:	[(1R)-1-amino-3-phenylpropyl]phosphonic acid

M72

M72
Name:	(2R,3R)-2-hydroxy-3-methoxy-3-phenylpropanoic acid
Formula:	C10 H12 O4
SMILES:	O=C(O)C(O)C(OC)c1ccccc1
InChi:	InChI=1S/C10H12O4/c1-14-9(8(11)10(12)13)7-5-3-2-4-6-7/h2-6,8-9,11H,1H3,(H,12,13)/t8-,9-/m1/s1
Definition date:	2013-08-21
Last modified:	2014-06-20
Release date:	2014-06-25
Identifier:	(2R,3R)-2-hydroxy-3-methoxy-3-phenylpropanoic acid

M74

M74
Name:	(2S,3R)-2,3-dihydroxy-3-phenylpropanoic acid
Formula:	C9 H10 O4
SMILES:	O=C(O)C(O)C(O)c1ccccc1
InChi:	InChI=1S/C9H10O4/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8,10-11H,(H,12,13)/t7-,8+/m1/s1
Definition date:	2013-08-21
Last modified:	2014-06-20
Release date:	2014-06-25
Identifier:	(2S,3R)-2,3-dihydroxy-3-phenylpropanoic acid

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