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C3W

C3W
Name:	4-[(4-fluorophenyl)methyl-methyl-amino]-2,4-bis(oxidanylidene)butanoic acid
Formula:	C12 H12 F N O4
SMILES:	CN(Cc1ccc(F)cc1)C(=O)CC(=O)C(O)=O
InChi:	InChI=1S/C12H12FNO4/c1-14(11(16)6-10(15)12(17)18)7-8-2-4-9(13)5-3-8/h2-5H,6-7H2,1H3,(H,17,18)
Definition date:	2017-11-10
Last modified:	2018-09-28
Release date:	2018-10-03
Identifier:	4-[(4-fluorophenyl)methyl-methyl-amino]-2,4-bis(oxidanylidene)butanoic acid

CF8

CF8
Name:	(~{Z})-3-[2-(naphthalen-2-ylmethyl)phenyl]-2-sulfanyl-prop-2-enoic acid
Formula:	C20 H16 O2 S
SMILES:	OC(=O)C(S)=Cc1ccccc1Cc2ccc3ccccc3c2
InChi:	InChI=1S/C20H16O2S/c21-20(22)19(23)13-18-8-4-3-7-17(18)12-14-9-10-15-5-1-2-6-16(15)11-14/h1-11,13,23H,12H2,(H,21,22)/b19-13-
Definition date:	2017-11-24
Last modified:	2018-09-28
Release date:	2018-10-03
Identifier:	(~{Z})-3-[2-(naphthalen-2-ylmethyl)phenyl]-2-sulfanyl-prop-2-enoic acid

CQG

CQG
Name:	pyridin-4-ol
Formula:	C5 H5 N O
SMILES:	c1cnccc1O
InChi:	InChI=1S/C5H5NO/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7)
Definition date:	2017-09-28
Last modified:	2018-09-28
Release date:	2018-10-03
Identifier:	pyridin-4-ol

CQJ

CQJ
Name:	4-methylpyridin-2-ol
Formula:	C6 H7 N O
SMILES:	c1(O)cc(ccn1)C
InChi:	InChI=1S/C6H7NO/c1-5-2-3-7-6(8)4-5/h2-4H,1H3,(H,7,8)
Definition date:	2017-09-28
Last modified:	2018-09-28
Release date:	2018-10-03
Identifier:	4-methylpyridin-2-ol

CQV

CQV
Name:	5-butylpyridine-2-carboxylic acid
Formula:	C10 H13 N O2
SMILES:	C(c1ncc(CCCC)cc1)(O)=O
InChi:	InChI=1S/C10H13NO2/c1-2-3-4-8-5-6-9(10(12)13)11-7-8/h5-7H,2-4H2,1H3,(H,12,13)
Definition date:	2017-09-29
Last modified:	2018-09-28
Release date:	2018-10-03
Identifier:	5-butylpyridine-2-carboxylic acid

CU7

CU7
Name:	(2R)-2,3-dihydroxypropyl (2S)-2,3-dihydroxypropyl hydrogen phosphate
Formula:	C6 H15 O8 P
SMILES:	C(C(COP(OCC(CO)O)(O)=O)O)O
InChi:	InChI=1S/C6H15O8P/c7-1-5(9)3-13-15(11,12)14-4-6(10)2-8/h5-10H,1-4H2,(H,11,12)/t5-,6+
Definition date:	2017-10-02
Last modified:	2018-09-28
Release date:	2018-10-03
Identifier:	(2R)-2,3-dihydroxypropyl (2S)-2,3-dihydroxypropyl hydrogen phosphate

CVJ

CVJ
Name:	(1S,2S)-N-{4-[(1S)-1-(propanoylamino)ethyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide
Formula:	C20 H23 N3 O2
SMILES:	c1cc(ccc1NC(C3C(c2cccnc2)C3)=O)C(NC(CC)=O)C
InChi:	InChI=1S/C20H23N3O2/c1-3-19(24)22-13(2)14-6-8-16(9-7-14)23-20(25)18-11-17(18)15-5-4-10-21-12-15/h4-10,12-13,17-18H,3,11H2,1-2H3,(H,22,24)(H,23,25)/t13-,17+,18-/m0/s1
Definition date:	2017-10-04
Last modified:	2018-09-28
Release date:	2018-10-03
Identifier:	(1S,2S)-N-{4-[(1S)-1-(propanoylamino)ethyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide

CVP

CVP
Name:	4-[(piperazin-1-yl)methyl]-N-{[4-({[(pyridin-3-yl)methyl]carbamoyl}amino)phenyl]methyl}benzamide
Formula:	C26 H30 N6 O2
SMILES:	c1(ccc(cc1)CNC(c3ccc(CN2CCNCC2)cc3)=O)NC(=O)NCc4cnccc4
InChi:	InChI=1S/C26H30N6O2/c33-25(23-7-3-21(4-8-23)19-32-14-12-27-13-15-32)29-17-20-5-9-24(10-6-20)31-26(34)30-18-22-2-1-11-28-16-22/h1-11,16,27H,12-15,17-19H2,(H,29,33)(H2,30,31,34)
Definition date:	2017-10-04
Last modified:	2018-09-28
Release date:	2018-10-03
Identifier:	4-[(piperazin-1-yl)methyl]-N-{[4-({[(pyridin-3-yl)methyl]carbamoyl}amino)phenyl]methyl}benzamide

BY5

BY5
Name:	(~{Z})-2-sulfanyl-3-[2,3,6-tris(fluoranyl)phenyl]prop-2-enoic acid
Formula:	C9 H5 F3 O2 S
SMILES:	OC(=O)C(S)=Cc1c(F)ccc(F)c1F
InChi:	InChI=1S/C9H5F3O2S/c10-5-1-2-6(11)8(12)4(5)3-7(15)9(13)14/h1-3,15H,(H,13,14)/b7-3-
Definition date:	2017-10-30
Last modified:	2018-09-28
Release date:	2018-10-03
Identifier:	(~{Z})-2-sulfanyl-3-[2,3,6-tris(fluoranyl)phenyl]prop-2-enoic acid

F6W

F6W
Name:	4-(2-phenylethylsulfanyl)benzenesulfonamide
Formula:	C14 H15 N O2 S2
SMILES:	N[S](=O)(=O)c1ccc(SCCc2ccccc2)cc1
InChi:	InChI=1S/C14H15NO2S2/c15-19(16,17)14-8-6-13(7-9-14)18-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,15,16,17)
Definition date:	2018-06-05
Last modified:	2018-09-28
Release date:	2018-10-03
Identifier:	4-(2-phenylethylsulfanyl)benzenesulfonamide

G7T

G7T
Name:	~{N}-[4-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-3-methyl-phenyl]-4-[4-fluoranyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-butanamide
Formula:	C26 H24 F4 N6 O2
SMILES:	CC(C)n1nc(c2ccc(NC(=O)CCC(=O)c3ccc(F)c(c3)C(F)(F)F)cc2C)c4c(N)ncnc14
InChi:	InChI=1S/C26H24F4N6O2/c1-13(2)36-25-22(24(31)32-12-33-25)23(35-36)17-6-5-16(10-14(17)3)34-21(38)9-8-20(37)15-4-7-19(27)18(11-15)26(28,29)30/h4-7,10-13H,8-9H2,1-3H3,(H,34,38)(H2,31,32,33)
Definition date:	2018-09-04
Last modified:	2018-09-28
Release date:	2018-10-03
Identifier:	~{N}-[4-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-3-methyl-phenyl]-4-[4-fluoranyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-butanamide

G7W

G7W
Name:	(~{E})-~{N}-[4-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-4-[4-fluoranyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-but-2-enamide
Formula:	C25 H20 F4 N6 O2
SMILES:	CC(C)n1nc(c2ccc(NC(=O)C=CC(=O)c3ccc(F)c(c3)C(F)(F)F)cc2)c4c(N)ncnc14
InChi:	InChI=1S/C25H20F4N6O2/c1-13(2)35-24-21(23(30)31-12-32-24)22(34-35)14-3-6-16(7-4-14)33-20(37)10-9-19(36)15-5-8-18(26)17(11-15)25(27,28)29/h3-13H,1-2H3,(H,33,37)(H2,30,31,32)/b10-9+
Definition date:	2018-09-04
Last modified:	2018-09-28
Release date:	2018-10-03
Identifier:	(~{E})-~{N}-[4-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-4-[4-fluoranyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-but-2-enamide

GKP

GKP
Name:	(2R,3R)-2,3-bis{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid
Formula:	C22 H18 O12
SMILES:	c1c(cc(c(c1)O)O)[C@H]=CC(=O)OC(C(=O)O)C(OC([C@H]=[C@H]c2ccc(c(c2)O)O)=O)C(=O)O
InChi:	InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20-/m1/s1
Definition date:	2018-05-24
Last modified:	2018-09-28
Release date:	2018-10-03
Identifier:	(2R,3R)-2,3-bis{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid

UOA

UOA
Name:	[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxy-2,4-dimethoxytetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name)
Formula:	C11 H17 N2 O10 P
SMILES:	COC1C(OC(C1O)(OC)COP(O)(=O)O)N2C(NC(=O)C=C2)=O
InChi:	InChI=1S/C11H17N2O10P/c1-20-7-8(15)11(21-2,5-22-24(17,18)19)23-9(7)13-4-3-6(14)12-10(13)16/h3-4,7-9,15H,5H2,1-2H3,(H,12,14,16)(H2,17,18,19)/t7-,8+,9-,11-/m1/s1
Definition date:	2018-04-06
Last modified:	2018-09-27
Release date:	2018-08-29
Identifier:	[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxy-2,4-dimethoxytetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name)

K2Y

K2Y
Name:	(2,4,5-triphosphonooxyphenyl) dihydrogen phosphate
Formula:	C6 H10 O16 P4
SMILES:	O[P](O)(=O)Oc1cc(O[P](O)(O)=O)c(O[P](O)(O)=O)cc1O[P](O)(O)=O
InChi:	InChI=1S/C6H10O16P4/c7-23(8,9)19-3-1-4(20-24(10,11)12)6(22-26(16,17)18)2-5(3)21-25(13,14)15/h1-2H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)
Definition date:	2015-07-06
Last modified:	2018-09-26
Release date:	2016-04-13
Identifier:	(2,4,5-triphosphonooxyphenyl) dihydrogen phosphate

P89

P89
Name:	[6-methyl-5-oxidanyl-4-[(~{E})-2-oxidanylideneundecyliminomethyl]pyridin-3-yl]methyl dihydrogen phosphate
Formula:	C19 H31 N2 O6 P
SMILES:	CCCCCCCCCC(=O)CN=Cc1c(O)c(C)ncc1CO[P](O)(O)=O
InChi:	InChI=1S/C19H31N2O6P/c1-3-4-5-6-7-8-9-10-17(22)12-20-13-18-16(14-27-28(24,25)26)11-21-15(2)19(18)23/h11,13,23H,3-10,12,14H2,1-2H3,(H2,24,25,26)/b20-13+
Definition date:	2009-06-08
Last modified:	2018-09-26
Identifier:	[6-methyl-5-oxidanyl-4-[(~{E})-2-oxidanylideneundecyliminomethyl]pyridin-3-yl]methyl dihydrogen phosphate

6YZ

6YZ
Name:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-[[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]methyl]phosphinic acid
Formula:	C11 H20 N5 O18 P5
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)C[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
InChi:	InChI=1S/C11H20N5O18P5/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(31-11)1-30-38(26,27)32-35(19,20)4-36(21,22)33-39(28,29)34-37(23,24)25/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H,26,27)(H,28,29)(H2,12,13,14)(H2,23,24,25)/t5-,7-,8-,11-/m1/s1
Definition date:	2016-07-27
Last modified:	2018-09-26
Release date:	2017-10-11
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-[[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]methyl]phosphinic acid

6JZ

6JZ
Name:	3,6,9,12,15-pentaoxaheptadecane
Formula:	C12 H26 O5
SMILES:	CCOCCOCCOCCOCCOCC
InChi:	InChI=1S/C12H26O5/c1-3-13-5-7-15-9-11-17-12-10-16-8-6-14-4-2/h3-12H2,1-2H3
Synonyms:	Part of Jeffamine
Definition date:	2009-06-02
Last modified:	2018-09-26
Identifier:	3,6,9,12,15-pentaoxaheptadecane

ALK

ALK
Name:	methoxy-[(1~{R})-1-oxidanylethyl]phosphinic acid
Formula:	C3 H9 O4 P
SMILES:	CO[P](O)(=O)[CH](C)O
InChi:	InChI=1S/C3H9O4P/c1-3(4)8(5,6)7-2/h3-4H,1-2H3,(H,5,6)/t3-/m1/s1
Definition date:	2007-12-14
Last modified:	2018-09-26
Identifier:	methoxy-[(1~{R})-1-oxidanylethyl]phosphinic acid

UPR

UPR
Name:	2'-DEOXYURIDINE-5'-ALPHA,BETA-AMINOPHOSPHORANE-TRIPHOSPHATE
Formula:	C9 H18 N3 O14 P3
SMILES:	P(O)(O)(O)(NP(=O)(O)OP(=O)(O)O)OCC1OC(CC1O)N2C(=O)NC(=O)C=C2
InChi:	InChI=1S/C9H18N3O14P3/c13-5-3-8(12-2-1-7(14)10-9(12)15)25-6(5)4-24-29(21,22,23)11-27(16,17)26-28(18,19)20/h1-2,5-6,8,13,21-23H,3-4H2,(H,10,14,15)(H2,11,16,17)(H2,18,19,20)/t5-,6+,8+/m0/s1
Definition date:	2003-12-26
Last modified:	2018-09-25
Identifier:	2'-deoxy-5'-O-[(3R)-1,1,1,3-tetrahydroxy-3-oxo-3-(phosphonooxy)-1lambda~5~,3lambda~5~-diphosphazan-1-yl]uridine

8BA

8BA
Name:	8-bromo-deoxyadenosine-5'-monophosphate
Formula:	C10 H12 Br N5 O6 P
SMILES:	Nc1ncnc2n([CH]3C[CH](O)[CH](CO[P](O)(=O)=O)O3)c(Br)nc12
InChi:	InChI=1S/C10H12BrN5O6P/c11-10-15-7-8(12)13-3-14-9(7)16(10)6-1-4(17)5(22-6)2-21-23(18,19)20/h3-6,17H,1-2H2,(H2,12,13,14)(H,18,19,20)/t4-,5+,6+/m0/s1
Definition date:	2013-07-16
Last modified:	2018-09-25
Release date:	2013-07-24
Identifier:	(2~{R},3~{S},5~{R})-5-(6-azanyl-8-bromanyl-purin-9-yl)-2-[[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxymethyl]oxolan-3-ol

FPA

FPA
Name:	bromo(difluoro)acetic acid
Formula:	C2 H Br F2 O2
SMILES:	C(F)(F)(C(=O)O)Br
InChi:	InChI=1S/C2HBrF2O2/c3-2(4,5)1(6)7/h(H,6,7)
Definition date:	1999-07-08
Last modified:	2018-09-25
Identifier:	bromo(difluoro)acetic acid

5WO

5WO
Name:	~{N}-(7~{H}-purin-6-yl)-3-(3-pyrrol-1-ylphenyl)benzamide
Formula:	C22 H16 N6 O
SMILES:	O=C(Nc1ncnc2nc[nH]c12)c3cccc(c3)c4cccc(c4)n5cccc5
InChi:	InChI=1S/C22H16N6O/c29-22(27-21-19-20(24-13-23-19)25-14-26-21)17-7-3-5-15(11-17)16-6-4-8-18(12-16)28-9-1-2-10-28/h1-14H,(H2,23,24,25,26,27,29)
Definition date:	2015-12-16
Last modified:	2018-09-24
Release date:	2016-01-13
Identifier:	~{N}-(7~{H}-purin-6-yl)-3-(3-pyrrol-1-ylphenyl)benzamide

WTF

WTF
Name:	[2-(ethylsulfonyl)phenyl][(2S)-4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]methanone
Formula:	C21 H22 F N3 O3 S2
SMILES:	CCS(=O)(=O)c4c(C(=O)N1C(CN(CC1)c2nc3c(s2)cc(cc3)F)C)cccc4
InChi:	InChI=1S/C21H22FN3O3S2/c1-3-30(27,28)19-7-5-4-6-16(19)20(26)25-11-10-24(13-14(25)2)21-23-17-9-8-15(22)12-18(17)29-21/h4-9,12,14H,3,10-11,13H2,1-2H3/t14-/m0/s1
Definition date:	2018-07-03
Last modified:	2018-09-21
Release date:	2018-09-26
Identifier:	[2-(ethylsulfonyl)phenyl][(2S)-4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]methanone

H4V

H4V
Name:	methyl 2-{[(4-iodo-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate
Formula:	C14 H13 I N4 O6 S
SMILES:	Ic1cc(nc(n1)NC(=O)NS(=O)(c2ccccc2C(OC)=O)=O)OC
InChi:	InChI=1S/C14H13IN4O6S/c1-24-11-7-10(15)16-13(17-11)18-14(21)19-26(22,23)9-6-4-3-5-8(9)12(20)25-2/h3-7H,1-2H3,(H2,16,17,18,19,21)
Definition date:	2018-06-11
Last modified:	2018-09-21
Release date:	2018-09-26
Identifier:	methyl 2-{[(4-iodo-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate

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