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9VL

9VL
Name:	(2S)-2-azanyl-6-[(2-bromophenyl)methoxycarbonylamino]hexanoic acid
Formula:	C14 H19 Br N2 O4
SMILES:	N[CH](CCCCNC(=O)OCc1ccccc1Br)C(O)=O
InChi:	InChI=1S/C14H19BrN2O4/c15-11-6-2-1-5-10(11)9-21-14(20)17-8-4-3-7-12(16)13(18)19/h1-2,5-6,12H,3-4,7-9,16H2,(H,17,20)(H,18,19)/t12-/m0/s1
Definition date:	2018-08-16
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	(2~{S})-2-azanyl-6-[(2-bromophenyl)methoxycarbonylamino]hexanoic acid

9VR

9VR
Name:	(2S)-2-azanyl-6-[[4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]phenyl]methoxycarbonylamino]hexanoic acid
Formula:	C16 H19 F3 N4 O4
SMILES:	N[CH](CCCCNC(=O)OCc1ccc(cc1)C2(N=N2)C(F)(F)F)C(O)=O
InChi:	InChI=1S/C16H19F3N4O4/c17-16(18,19)15(22-23-15)11-6-4-10(5-7-11)9-27-14(26)21-8-2-1-3-12(20)13(24)25/h4-7,12H,1-3,8-9,20H2,(H,21,26)(H,24,25)/t12-/m0/s1
Definition date:	2018-08-16
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	(2~{S})-2-azanyl-6-[[4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]phenyl]methoxycarbonylamino]hexanoic acid

7SX

7SX
Name:	[(5,7-dimethyl-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid
Formula:	C12 H14 N O4 P
SMILES:	Cc1cc2c(c(c1)C)C(CP(O)(O)=O)=CC(=O)N2
InChi:	InChI=1S/C12H14NO4P/c1-7-3-8(2)12-9(6-18(15,16)17)5-11(14)13-10(12)4-7/h3-5H,6H2,1-2H3,(H,13,14)(H2,15,16,17)
Definition date:	2018-04-17
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	[(5,7-dimethyl-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid

C0X

C0X
Name:	(2S)-3-dimethoxyphosphoryloxy-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid
Formula:	C20 H35 O7 P
SMILES:	CO[P](=O)(OC)OC[CH](OCC=C(C)CCC=C(C)CCC=C(C)C)C(O)=O
InChi:	InChI=1S/C20H35O7P/c1-16(2)9-7-10-17(3)11-8-12-18(4)13-14-26-19(20(21)22)15-27-28(23,24-5)25-6/h9,11,13,19H,7-8,10,12,14-15H2,1-6H3,(H,21,22)/b17-11+,18-13+/t19-/m0/s1
Definition date:	2019-04-04
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	(2~{S})-3-dimethoxyphosphoryloxy-2-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid

D29

D29
Name:	(Z)-{[(3E)-4-{(R)-[3,5-bis(trifluoromethyl)phenyl]sulfinyl}but-3-en-1-yl]imino}methanethiol
Formula:	C13 H11 F6 N O S2
SMILES:	FC(F)(F)c1cc(S(=O)[C@H]=[C@H]CCN=C/S)cc(c1)C(F)(F)F
InChi:	InChI=1S/C13H11F6NOS2/c14-12(15,16)9-5-10(13(17,18)19)7-11(6-9)23(21)4-2-1-3-20-8-22/h2,4-8H,1,3H2,(H,20,22)/b4-2+/t23-/m1/s1
Definition date:	2018-04-25
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	(Z)-{[(3E)-4-{(R)-[3,5-bis(trifluoromethyl)phenyl]sulfinyl}but-3-en-1-yl]imino}methanethiol

B1U

B1U
Name:	5'-O-[(2-nitrobenzene-1-carbonyl)sulfamoyl]adenosine
Formula:	C17 H17 N7 O9 S
SMILES:	[O-][N+](c1c(cccc1)C(NS(OCC2OC(C(C2O)O)n3cnc4c3ncnc4N)(=O)=O)=O)=O
InChi:	InChI=1S/C17H17N7O9S/c18-14-11-15(20-6-19-14)23(7-21-11)17-13(26)12(25)10(33-17)5-32-34(30,31)22-16(27)8-3-1-2-4-9(8)24(28)29/h1-4,6-7,10,12-13,17,25-26H,5H2,(H,22,27)(H2,18,19,20)/t10-,12-,13-,17-/m1/s1
Definition date:	2019-01-08
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	5'-O-[(2-nitrobenzene-1-carbonyl)sulfamoyl]adenosine

B1X

B1X
Name:	5'-O-[(3-cyanobenzene-1-carbonyl)sulfamoyl]adenosine
Formula:	C18 H17 N7 O7 S
SMILES:	c21n(cnc1c(ncn2)N)C4OC(COS(NC(c3cc(C#N)ccc3)=O)(=O)=O)C(C4O)O
InChi:	InChI=1S/C18H17N7O7S/c19-5-9-2-1-3-10(4-9)17(28)24-33(29,30)31-6-11-13(26)14(27)18(32-11)25-8-23-12-15(20)21-7-22-16(12)25/h1-4,7-8,11,13-14,18,26-27H,6H2,(H,24,28)(H2,20,21,22)/t11-,13-,14-,18-/m1/s1
Definition date:	2019-01-08
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	5'-O-[(3-cyanobenzene-1-carbonyl)sulfamoyl]adenosine

B4O

B4O
Name:	6-cyclohexyl-4-methyl-1-oxidanyl-pyridin-2-one
Formula:	C12 H17 N O2
SMILES:	CC1=CC(=O)N(O)C(=C1)C2CCCCC2
InChi:	InChI=1S/C12H17NO2/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10/h7-8,10,15H,2-6H2,1H3
Definition date:	2019-01-11
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	6-cyclohexyl-4-methyl-1-oxidanyl-pyridin-2-one

FQ7

FQ7
Name:	2-[(3,5-dichlorophenyl)amino]benzoic acid
Formula:	C13 H9 Cl2 N O2
SMILES:	c2ccc(C(O)=O)c(Nc1cc(Cl)cc(c1)Cl)c2
InChi:	InChI=1S/C13H9Cl2NO2/c14-8-5-9(15)7-10(6-8)16-12-4-2-1-3-11(12)13(17)18/h1-7,16H,(H,17,18)
Definition date:	2018-04-11
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	2-[(3,5-dichlorophenyl)amino]benzoic acid

FUJ

FUJ
Name:	[(7-methoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid
Formula:	C11 H11 O6 P
SMILES:	COc1ccc2c(c1)OC(C=C2CP(O)(O)=O)=O
InChi:	InChI=1S/C11H11O6P/c1-16-8-2-3-9-7(6-18(13,14)15)4-11(12)17-10(9)5-8/h2-5H,6H2,1H3,(H2,13,14,15)
Definition date:	2018-04-17
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	[(7-methoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid

FVP

FVP
Name:	2-aminoethyl 5-{[(4-cyclohexyl-1H-1,2,3-triazol-1-yl)acetyl]amino}-3,5,9-trideoxy-9-[(4-hydroxy-3,5-dimethylbenzene-1-carbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside
Formula:	C42 H64 N6 O20
SMILES:	C6CCCC(c5cn(CC(NC2C(C(C(O)CNC(c1cc(c(c(c1)C)O)C)=O)O)OC(CC2O)(C(O)=O)OCC3C(C(C(C(O3)OC4C(O)C(C(OC4CO)OCCN)O)O)O)O)=O)nn5)C6
InChi:	InChI=1S/C42H64N6O20/c1-18-10-21(11-19(2)29(18)53)38(60)44-13-24(51)30(54)37-28(45-27(52)15-48-14-22(46-47-48)20-6-4-3-5-7-20)23(50)12-42(68-37,41(61)62)64-17-26-31(55)32(56)34(58)40(66-26)67-36-25(16-49)65-39(63-9-8-43)35(59)33(36)57/h10-11,14,20,23-26,28,30-37,39-40,49-51,53-59H,3-9,12-13,15-17,43H2,1-2H3,(H,44,60)(H,45,52)(H,61,62)/t23-,24+,25+,26+,28+,30+,31-,32-,33+,34+,35+,36+,37+,39+,40-,42+/m0/s1
Definition date:	2018-04-20
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	2-aminoethyl 5-{[(4-cyclohexyl-1H-1,2,3-triazol-1-yl)acetyl]amino}-3,5,9-trideoxy-9-[(4-hydroxy-3,5-dimethylbenzene-1-carbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside

FYS

FYS
Name:	4,4',4''-[(2R)-butane-1,1,2-triyl]triphenol
Formula:	C22 H22 O3
SMILES:	CCC(c1ccc(O)cc1)C(c2ccc(O)cc2)c3ccc(cc3)O
InChi:	InChI=1S/C22H22O3/c1-2-21(15-3-9-18(23)10-4-15)22(16-5-11-19(24)12-6-16)17-7-13-20(25)14-8-17/h3-14,21-25H,2H2,1H3/t21-/m0/s1
Definition date:	2018-04-25
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	4,4',4''-[(2R)-butane-1,1,2-triyl]triphenol

GE5

GE5
Name:	3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-[(~{E})-phenyldiazenyl]-1,3-thiazol-5-yl]pyridin-2-yl]propanamide
Formula:	C31 H26 F N5 O3 S
SMILES:	COc1ccc(OC)c(CCC(=O)Nc2cc(ccn2)c3sc(N=Nc4ccccc4)nc3c5ccc(F)cc5)c1
InChi:	InChI=1S/C31H26FN5O3S/c1-39-25-13-14-26(40-2)21(18-25)10-15-28(38)34-27-19-22(16-17-33-27)30-29(20-8-11-23(32)12-9-20)35-31(41-30)37-36-24-6-4-3-5-7-24/h3-9,11-14,16-19H,10,15H2,1-2H3,(H,33,34,38)/b37-36+
Definition date:	2018-09-13
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-[(~{E})-phenyldiazenyl]-1,3-thiazol-5-yl]pyridin-2-yl]propanamide

GEW

GEW
Name:	3-(2,5-dimethoxyphenyl)-~{N}-[4-[5-(4-fluorophenyl)-2-[(~{E})-(4-fluorophenyl)diazenyl]-3-methyl-imidazol-4-yl]pyridin-2-yl]propanamide
Formula:	C32 H28 F2 N6 O3
SMILES:	COc1ccc(OC)c(CCC(=O)Nc2cc(ccn2)c3n(C)c(N=Nc4ccc(F)cc4)nc3c5ccc(F)cc5)c1
InChi:	InChI=1S/C32H28F2N6O3/c1-40-31(30(20-4-7-23(33)8-5-20)37-32(40)39-38-25-11-9-24(34)10-12-25)22-16-17-35-28(19-22)36-29(41)15-6-21-18-26(42-2)13-14-27(21)43-3/h4-5,7-14,16-19H,6,15H2,1-3H3,(H,35,36,41)/b39-38+
Definition date:	2018-09-13
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	3-(2,5-dimethoxyphenyl)-~{N}-[4-[5-(4-fluorophenyl)-2-[(~{E})-(4-fluorophenyl)diazenyl]-3-methyl-imidazol-4-yl]pyridin-2-yl]propanamide

GRV

GRV
Name:	2-methyl-~{N}-(2-methylpropyl)imidazo[1,2-a]pyridine-3-carboxamide
Formula:	C13 H17 N3 O
SMILES:	CC(C)CNC(=O)c1n2ccccc2nc1C
InChi:	InChI=1S/C13H17N3O/c1-9(2)8-14-13(17)12-10(3)15-11-6-4-5-7-16(11)12/h4-7,9H,8H2,1-3H3,(H,14,17)
Definition date:	2018-06-01
Last modified:	2019-04-05
Release date:	2019-04-10
Identifier:	2-methyl-~{N}-(2-methylpropyl)imidazo[1,2-a]pyridine-3-carboxamide

GT4

GT4
Name:	~{N}-(4-hydroxyphenyl)-2-methoxy-ethanamide
Formula:	C9 H11 N O3
SMILES:	COCC(=O)Nc1ccc(O)cc1
InChi:	InChI=1S/C9H11NO3/c1-13-6-9(12)10-7-2-4-8(11)5-3-7/h2-5,11H,6H2,1H3,(H,10,12)
Definition date:	2018-06-01
Last modified:	2019-04-05
Release date:	2019-04-10
Identifier:	~{N}-(4-hydroxyphenyl)-2-methoxy-ethanamide

GT7

GT7
Name:	2-cyano-~{N}-cyclohexyl-ethanamide
Formula:	C9 H14 N2 O
SMILES:	O=C(CC#N)NC1CCCCC1
InChi:	InChI=1S/C9H14N2O/c10-7-6-9(12)11-8-4-2-1-3-5-8/h8H,1-6H2,(H,11,12)
Definition date:	2018-06-01
Last modified:	2019-04-05
Release date:	2019-04-10
Identifier:	2-cyano-~{N}-cyclohexyl-ethanamide

GTJ

GTJ
Name:	~{N}-(1-propylbenzimidazol-2-yl)propanamide
Formula:	C13 H17 N3 O
SMILES:	CCCn1c(NC(=O)CC)nc2ccccc12
InChi:	InChI=1S/C13H17N3O/c1-3-9-16-11-8-6-5-7-10(11)14-13(16)15-12(17)4-2/h5-8H,3-4,9H2,1-2H3,(H,14,15,17)
Definition date:	2018-06-01
Last modified:	2019-04-05
Release date:	2019-04-10
Identifier:	~{N}-(1-propylbenzimidazol-2-yl)propanamide

GUG

GUG
Name:	~{N}-propan-2-ylquinoline-2-carboxamide
Formula:	C13 H14 N2 O
SMILES:	CC(C)NC(=O)c1ccc2ccccc2n1
InChi:	InChI=1S/C13H14N2O/c1-9(2)14-13(16)12-8-7-10-5-3-4-6-11(10)15-12/h3-9H,1-2H3,(H,14,16)
Definition date:	2018-06-01
Last modified:	2019-04-05
Release date:	2019-04-10
Identifier:	~{N}-propan-2-ylquinoline-2-carboxamide

GUV

GUV
Name:	1-methyl-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea
Formula:	C13 H14 N4 O
SMILES:	CNC(=O)Nc1cccc(c1)c2ccnc(C)n2
InChi:	InChI=1S/C13H14N4O/c1-9-15-7-6-12(16-9)10-4-3-5-11(8-10)17-13(18)14-2/h3-8H,1-2H3,(H2,14,17,18)
Definition date:	2018-06-01
Last modified:	2019-04-05
Release date:	2019-04-10
Identifier:	1-methyl-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea

GV4

GV4
Name:	2-cyano-~{N}-(1,3,5-trimethylpyrazol-4-yl)ethanamide
Formula:	C9 H12 N4 O
SMILES:	Cn1nc(C)c(NC(=O)CC#N)c1C
InChi:	InChI=1S/C9H12N4O/c1-6-9(7(2)13(3)12-6)11-8(14)4-5-10/h4H2,1-3H3,(H,11,14)
Definition date:	2018-06-01
Last modified:	2019-04-05
Release date:	2019-04-10
Identifier:	2-cyano-~{N}-(1,3,5-trimethylpyrazol-4-yl)ethanamide

GVV

GVV
Name:	~{N}-(4-methyl-2-oxidanyl-phenyl)propanamide
Formula:	C10 H13 N O2
SMILES:	CCC(=O)Nc1ccc(C)cc1O
InChi:	InChI=1S/C10H13NO2/c1-3-10(13)11-8-5-4-7(2)6-9(8)12/h4-6,12H,3H2,1-2H3,(H,11,13)
Definition date:	2018-06-01
Last modified:	2019-04-05
Release date:	2019-04-10
Identifier:	~{N}-(4-methyl-2-oxidanyl-phenyl)propanamide

GVY

GVY
Name:	4-(5-amino-1,3,4-thiadiazol-2-yl)phenol
Formula:	C8 H7 N3 O S
SMILES:	n2c(c1ccc(cc1)O)sc(N)n2
InChi:	InChI=1S/C8H7N3OS/c9-8-11-10-7(13-8)5-1-3-6(12)4-2-5/h1-4,12H,(H2,9,11)
Definition date:	2018-06-01
Last modified:	2019-04-05
Release date:	2019-04-10
Identifier:	4-(5-amino-1,3,4-thiadiazol-2-yl)phenol

GWA

GWA
Name:	~{N}-(3-acetamidophenyl)-2-methoxy-ethanamide
Formula:	C11 H14 N2 O3
SMILES:	COCC(=O)Nc1cccc(NC(C)=O)c1
InChi:	InChI=1S/C11H14N2O3/c1-8(14)12-9-4-3-5-10(6-9)13-11(15)7-16-2/h3-6H,7H2,1-2H3,(H,12,14)(H,13,15)
Definition date:	2018-06-01
Last modified:	2019-04-05
Release date:	2019-04-10
Identifier:	~{N}-(3-acetamidophenyl)-2-methoxy-ethanamide

K94

K94
Name:	4-(difluoromethyl)-L-leucine
Formula:	C7 H13 F2 N O2
SMILES:	O=C(O)C(N)CC(C)(C)C(F)F
InChi:	InChI=1S/C7H13F2NO2/c1-7(2,6(8)9)3-4(10)5(11)12/h4,6H,3,10H2,1-2H3,(H,11,12)/t4-/m0/s1
Definition date:	2018-11-12
Last modified:	2019-04-05
Release date:	2019-04-10
Identifier:	4-(difluoromethyl)-L-leucine

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