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8EL

8EL
Name:	2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate
Formula:	C12 H20 N4 O7 P2 S
SMILES:	Cc1ncc(CN2CSC(=C2C)CCO[P](O)(=O)O[P](O)(O)=O)c(N)n1
InChi:	InChI=1S/C12H20N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5H,3-4,6-7H2,1-2H3,(H,20,21)(H2,13,14,15)(H2,17,18,19)
Definition date:	2017-06-20
Last modified:	2018-04-20
Release date:	2018-04-25
Identifier:	2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2~{H}-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate

8EO

8EO
Name:	2-[(5S)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2,5-dihydro-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate
Formula:	C12 H21 N4 O7 P2 S
SMILES:	Cc1ncc(C[N+]2=C(C)[CH](CCO[P](O)(=O)O[P](O)(O)=O)SC2)c(N)n1
InChi:	InChI=1S/C12H20N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,11H,3-4,6-7H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1/t11-/m0/s1
Definition date:	2017-06-20
Last modified:	2018-04-20
Release date:	2018-04-25
Identifier:	2-[(5~{S})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2,5-dihydro-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate

8FL

8FL
Name:	2-[(2R)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-oxidanyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate
Formula:	C12 H20 N4 O8 P2 S
SMILES:	Cc1ncc(CN2[CH](O)SC(=C2C)CCO[P](O)(=O)O[P](O)(O)=O)c(N)n1
InChi:	InChI=1S/C12H20N4O8P2S/c1-7-10(3-4-23-26(21,22)24-25(18,19)20)27-12(17)16(7)6-9-5-14-8(2)15-11(9)13/h5,12,17H,3-4,6H2,1-2H3,(H,21,22)(H2,13,14,15)(H2,18,19,20)/t12-/m1/s1
Definition date:	2017-06-27
Last modified:	2018-04-20
Release date:	2018-04-25
Identifier:	2-[(2~{R})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-oxidanyl-2~{H}-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate

8P0

8P0
Name:	pyrene
Formula:	C16 H10
SMILES:	c1cc4c3c(c1)ccc2cccc(c23)cc4
InChi:	InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H
Definition date:	2017-04-13
Last modified:	2018-04-20
Release date:	2018-04-25
Identifier:	pyrene

DVW

DVW
Name:	five-coordinate platinum(II) compound
Formula:	C27 H31 N7 O5 Pt
SMILES:	Cn1cncc1c2cn(nn2)C3OC(O)C(O)C(O)C3O.Cc4ccc5ccc6ccc(C)nc6c5n4.C7C[Pt]7
InChi:	InChI=1S/C14H12N2.C11H15N5O5.C2H4.Pt/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9
Definition date:	2018-02-02
Last modified:	2018-04-20
Release date:	2018-04-25

DW5

DW5
Name:	five-coordinate platinum(II) compound
Formula:	C17 H15 N2 Pt
SMILES:	CC.C[Pt].Cc1ccc2ccc3ccc(C)nc3c2n1
InChi:	InChI=1S/C14H12N2.C2H4.CH3.Pt/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9
Definition date:	2018-02-02
Last modified:	2018-04-20
Release date:	2018-04-25

E7N

E7N
Name:	~{N}-[5-[2-azanyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-2-methoxy-phenyl]propane-1-sulfonamide
Formula:	C25 H31 N5 O3 S
SMILES:	CCC[S](=O)(=O)Nc1cc(ccc1OC)c2cc(cnc2N)c3ccc(cc3)N4CCNCC4
InChi:	InChI=1S/C25H31N5O3S/c1-3-14-34(31,32)29-23-16-19(6-9-24(23)33-2)22-15-20(17-28-25(22)26)18-4-7-21(8-5-18)30-12-10-27-11-13-30/h4-9,15-17,27,29H,3,10-14H2,1-2H3,(H2,26,28)
Definition date:	2018-02-26
Last modified:	2018-04-20
Release date:	2018-04-25
Identifier:	~{N}-[5-[2-azanyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-2-methoxy-phenyl]propane-1-sulfonamide

E8Z

E8Z
Name:	~{N}-(3,4-dimethylphenyl)-4-oxidanylidene-chromene-3-carboxamide
Formula:	C18 H15 N O3
SMILES:	Cc1ccc(NC(=O)C2=COc3ccccc3C2=O)cc1C
InChi:	InChI=1S/C18H15NO3/c1-11-7-8-13(9-12(11)2)19-18(21)15-10-22-16-6-4-3-5-14(16)17(15)20/h3-10H,1-2H3,(H,19,21)
Definition date:	2018-03-05
Last modified:	2018-04-20
Release date:	2018-04-25
Identifier:	~{N}-(3,4-dimethylphenyl)-4-oxidanylidene-chromene-3-carboxamide

E92

E92
Name:	~{N}-(3-chlorophenyl)-4-oxidanylidene-chromene-3-carboxamide
Formula:	C16 H10 Cl N O3
SMILES:	Clc1cccc(NC(=O)C2=COc3ccccc3C2=O)c1
InChi:	InChI=1S/C16H10ClNO3/c17-10-4-3-5-11(8-10)18-16(20)13-9-21-14-7-2-1-6-12(14)15(13)19/h1-9H,(H,18,20)
Definition date:	2018-03-05
Last modified:	2018-04-20
Release date:	2018-04-25
Identifier:	~{N}-(3-chlorophenyl)-4-oxidanylidene-chromene-3-carboxamide

E98

E98
Name:	~{N}-(3-fluorophenyl)-4-oxidanylidene-chromene-3-carboxamide
Formula:	C16 H10 F N O3
SMILES:	Fc1cccc(NC(=O)C2=COc3ccccc3C2=O)c1
InChi:	InChI=1S/C16H10FNO3/c17-10-4-3-5-11(8-10)18-16(20)13-9-21-14-7-2-1-6-12(14)15(13)19/h1-9H,(H,18,20)
Definition date:	2018-03-06
Last modified:	2018-04-20
Release date:	2018-04-25
Identifier:	~{N}-(3-fluorophenyl)-4-oxidanylidene-chromene-3-carboxamide

EJS

EJS
Name:	(4R,5R,6S)-4-[4-fluoro-3-({[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}carbamoyl)phenyl]-N-(2H-indazol-5-yl)-6-methyl-2-oxohexahydropyrimidine-5-carboxamide
Formula:	C25 H25 F N8 O5
SMILES:	O=C(C1C(NC(=O)NC1c3cc(C(NCc2onc(n2)COC)=O)c(F)cc3)C)Nc4ccc5c(c4)cnn5
InChi:	InChI=1S/C25H25FN8O5/c1-12-21(24(36)30-15-4-6-18-14(7-15)9-28-33-18)22(32-25(37)29-12)13-3-5-17(26)16(8-13)23(35)27-10-20-31-19(11-38-2)34-39-20/h3-9,12,21-22H,10-11H2,1-2H3,(H,27,35)(H,28,33)(H,30,36)(H2,29,32,37)/t12-,21+,22-/m0/s1
Definition date:	2018-01-14
Last modified:	2018-04-20
Release date:	2018-04-25
Identifier:	(4R,5R,6S)-4-[4-fluoro-3-({[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}carbamoyl)phenyl]-N-(2H-indazol-5-yl)-6-methyl-2-oxohexahydropyrimidine-5-carboxamide

EVM

EVM
Name:	L-Serine, N-[[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methylene]
Formula:	C11 H14 N2 O8 P
SMILES:	C(O)(=O)[C-](N=Cc1c(c(ncc1COP(O)(O)=O)C)O)CO
InChi:	InChI=1S/C11H14N2O8P/c1-6-10(15)8(3-13-9(4-14)11(16)17)7(2-12-6)5-21-22(18,19)20/h2-3,14-15H,4-5H2,1H3,(H,16,17)(H2,18,19,20)/q-1/b13-3+
Definition date:	2018-02-02
Last modified:	2018-04-20
Release date:	2018-04-25
Identifier:	1-carboxy-2-hydroxy-1-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]ethan-1-ide

XQB

XQB
Name:	2-imino,3-carboxy,5-hydroxy,6-oxo hexanoic acid
Formula:	C7 H9 N O6
SMILES:	O[CH](C[CH](C(O)=O)C(=N)C(O)=O)C=O
InChi:	InChI=1S/C7H9NO6/c8-5(7(13)14)4(6(11)12)1-3(10)2-9/h2-4,8,10H,1H2,(H,11,12)(H,13,14)/b8-5-/t3-,4-/m0/s1
Definition date:	2017-11-29
Last modified:	2018-04-20
Release date:	2018-04-25
Identifier:	(3~{S})-2-azanylidene-3-[(2~{S})-2-oxidanyl-3-oxidanylidene-propyl]butanedioic acid

YQA

YQA
Name:	5-hydroxy,-4,5-dihydroquinolinate
Formula:	C7 H7 N O5
SMILES:	O[CH]1CC(=C(N=C1)C(O)=O)C(O)=O
InChi:	InChI=1S/C7H7NO5/c9-3-1-4(6(10)11)5(7(12)13)8-2-3/h2-3,9H,1H2,(H,10,11)(H,12,13)/t3-/m1/s1
Definition date:	2017-11-29
Last modified:	2018-04-20
Release date:	2018-04-25
Identifier:	(3~{R})-3-oxidanyl-3,4-dihydropyridine-5,6-dicarboxylic acid

FSB

FSB
Name:	N-(2-FLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE
Formula:	C14 H13 F N2 O3 S
SMILES:	c1cc(ccc1C(=O)NCc2ccccc2F)S(N)(=O)=O
InChi:	InChI=1S/C14H13FN2O3S/c15-13-4-2-1-3-11(13)9-17-14(18)10-5-7-12(8-6-10)21(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20)
Definition date:	2000-10-13
Last modified:	2018-04-18
Identifier:	N-[(2-fluorophenyl)methyl]-4-sulfamoylbenzamide

JM1

JM1
Name:	FLUORINATED PYRIDOCARBAZOLE CYCLOPENTADIENYL RU(CO) COMPLEX
Formula:	C23 H12 F N3 O3 Ru
SMILES:	Fc6cn%11[Ru]4132(C5C1C2C3C45)(C#[O+])n9c8c%11c(c6)c7c(C(NC7=O)=O)c8c%10c9cccc%10
InChi:	InChI=1S/C17H8FN3O2.C5H5.CO.Ru/c18-7-5-9-12-13(17(23)21-16(12)22)11-8-3-1-2-4-10(8)20-15(11)14(9)19-6-7
Definition date:	2007-01-17
Last modified:	2018-04-18
Identifier:	carbonyl[(1,2,3,4,5-eta)-cyclopentadienyl](3-fluoro-5,7-dioxo-6,7-dihydro-5H-pyrido[2,3-a]pyrrolo[3,4-c]carbazol-12-ide-kappa~2~N~1~,N~12~)ruthenium(1+)

F6B

F6B
Name:	N-(2,6-DIFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE
Formula:	C14 H12 F2 N2 O3 S
SMILES:	c1cc(ccc1C(=O)NCc2c(cccc2F)F)S(N)(=O)=O
InChi:	InChI=1S/C14H12F2N2O3S/c15-12-2-1-3-13(16)11(12)8-18-14(19)9-4-6-10(7-5-9)22(17,20)21/h1-7H,8H2,(H,18,19)(H2,17,20,21)
Definition date:	2000-10-27
Last modified:	2018-04-18
Identifier:	N-[(2,6-difluorophenyl)methyl]-4-sulfamoylbenzamide

FBS

FBS
Name:	4-FLUOROBENZENESULFONAMIDE
Formula:	C6 H6 F N O2 S
SMILES:	c1(ccc(cc1)S(=O)(=O)N)F
InChi:	InChI=1S/C6H6FNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)
Definition date:	2001-04-13
Last modified:	2018-04-18
Identifier:	4-fluorobenzene-1-sulfonamide

FFB

FFB
Name:	N-(2,3,4,5,6-PENTAFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE
Formula:	C14 H9 F5 N2 O3 S
SMILES:	c1cc(ccc1C(=O)NCc2c(c(c(c(c2F)F)F)F)F)S(N)(=O)=O
InChi:	InChI=1S/C14H9F5N2O3S/c15-9-8(10(16)12(18)13(19)11(9)17)5-21-14(22)6-1-3-7(4-2-6)25(20,23)24/h1-4H,5H2,(H,21,22)(H2,20,23,24)
Definition date:	2000-10-30
Last modified:	2018-04-18
Identifier:	N-[(pentafluorophenyl)methyl]-4-sulfamoylbenzamide

1MA

1MA
Name:	6-HYDRO-1-METHYLADENOSINE-5'-MONOPHOSPHATE
Formula:	C11 H16 N5 O7 P
SMILES:	P(=O)(O)(O)OCC1OC(C(C1O)O)n2cnc3C(=N)N(C)C=Nc23
InChi:	InChI=1S/C11H16N5O7P/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(18)7(17)5(23-11)2-22-24(19,20)21/h3-5,7-8,11-12,17-18H,2H2,1H3,(H2,19,20,21)/b12-9-/t5-,7-,8-,11-/m1/s1
Definition date:	1999-07-08
Last modified:	2018-04-17
Identifier:	1-methyladenosine 5'-(dihydrogen phosphate)

N2B

N2B
Name:	ETHYLBENZENE
Formula:	C8 H10
SMILES:	c1(ccccc1)CC
InChi:	InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3
Definition date:	1999-07-08
Last modified:	2018-04-17
Identifier:	ethylbenzene

HV9

HV9
Name:	4-methyl-N-({1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl}carbamoyl)benzene-1-sulfonamide
Formula:	C18 H20 F3 N5 O3 S
SMILES:	Cc1ccc(cc1)S(=O)(=O)NC(=O)NC3CCN(c2nccc(n2)C(F)(F)F)CC3
InChi:	InChI=1S/C18H20F3N5O3S/c1-12-2-4-14(5-3-12)30(28,29)25-17(27)23-13-7-10-26(11-8-13)16-22-9-6-15(24-16)18(19,20)21/h2-6,9,13H,7-8,10-11H2,1H3,(H2,23,25,27)
Definition date:	2017-04-20
Last modified:	2018-04-13
Release date:	2018-04-18
Identifier:	4-methyl-N-({1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl}carbamoyl)benzene-1-sulfonamide

88U

88U
Name:	N-(4-methoxyphenyl)-N,2-dimethyl-quinazolin-4-amine
Formula:	C17 H17 N3 O
SMILES:	COc1ccc(cc1)N(C)c2nc(C)nc3ccccc23
InChi:	InChI=1S/C17H17N3O/c1-12-18-16-7-5-4-6-15(16)17(19-12)20(2)13-8-10-14(21-3)11-9-13/h4-11H,1-3H3
Definition date:	2017-05-18
Last modified:	2018-04-13
Release date:	2018-04-18
Identifier:	~{N}-(4-methoxyphenyl)-~{N},2-dimethyl-quinazolin-4-amine

890

890
Name:	4-[(3-azanyl-4-methoxy-phenyl)-methyl-amino]chromen-2-one
Formula:	C17 H16 N2 O3
SMILES:	COc1ccc(cc1N)N(C)C2=CC(=O)Oc3ccccc23
InChi:	InChI=1S/C17H16N2O3/c1-19(11-7-8-16(21-2)13(18)9-11)14-10-17(20)22-15-6-4-3-5-12(14)15/h3-10H,18H2,1-2H3
Definition date:	2017-05-18
Last modified:	2018-04-13
Release date:	2018-04-18
Identifier:	4-[(3-azanyl-4-methoxy-phenyl)-methyl-amino]chromen-2-one

QC1

QC1
Name:	3-{[(4-fluorophenyl)methyl]amino}pyridine-4-carboxylic acid
Formula:	C13 H11 F N2 O2
SMILES:	Fc1ccc(cc1)CNc2c(C(O)=O)ccnc2
InChi:	InChI=1S/C13H11FN2O2/c14-10-3-1-9(2-4-10)7-16-12-8-15-6-5-11(12)13(17)18/h1-6,8,16H,7H2,(H,17,18)
Definition date:	2018-02-22
Last modified:	2018-04-13
Release date:	2018-04-18
Identifier:	3-{[(4-fluorophenyl)methyl]amino}pyridine-4-carboxylic acid

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