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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

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

9TF

9TF
Name:	Purpurin
Formula:	C14 H8 O5
SMILES:	c2cc1C(c3c(c(cc(c3C(c1cc2)=O)O)O)O)=O
InChi:	InChI=1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H
Definition date:	2018-07-27
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	1,2,4-trihydroxyanthracene-9,10-dione

9TR

9TR
Name:	N6-{[(3-azidophenyl)methoxy]carbonyl}-L-lysine
Formula:	C14 H19 N5 O4
SMILES:	c1(COC(NCCCCC(C(=O)O)N)=O)cc(ccc1)N=[N+]=[N-]
InChi:	InChI=1S/C14H19N5O4/c15-12(13(20)21)6-1-2-7-17-14(22)23-9-10-4-3-5-11(8-10)18-19-16/h3-5,8,12H,1-2,6-7,9,15H2,(H,17,22)(H,20,21)/t12-/m0/s1
Definition date:	2018-07-31
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	N~6~-{[(3-azidophenyl)methoxy]carbonyl}-L-lysine

9TU

9TU
Name:	N6-[({3-[3-(trifluoromethyl)-3H-diaziren-3-yl]phenyl}methoxy)carbonyl]-L-lysine
Formula:	C16 H19 F3 N4 O4
SMILES:	c2(cc(C1(N=N1)C(F)(F)F)ccc2)COC(=O)NCCCCC(N)C(O)=O
InChi:	InChI=1S/C16H19F3N4O4/c17-16(18,19)15(22-23-15)11-5-3-4-10(8-11)9-27-14(26)21-7-2-1-6-12(20)13(24)25/h3-5,8,12H,1-2,6-7,9,20H2,(H,21,26)(H,24,25)/t12-/m0/s1
Definition date:	2018-07-31
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	N~6~-[({3-[3-(trifluoromethyl)-3H-diaziren-3-yl]phenyl}methoxy)carbonyl]-L-lysine

9U0

9U0
Name:	N6-({[(1S,2E)-cyclooct-2-en-1-yl]oxy}carbonyl)-L-lysine
Formula:	C15 H26 N2 O4
SMILES:	C=1C(CCCCCC=1)OC(NCCCCC(C(O)=O)N)=O
InChi:	InChI=1S/C15H26N2O4/c16-13(14(18)19)10-6-7-11-17-15(20)21-12-8-4-2-1-3-5-9-12/h4,8,12-13H,1-3,5-7,9-11,16H2,(H,17,20)(H,18,19)/t12-,13+/m1/s1
Definition date:	2018-07-31
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	N~6~-({[(1S,2E)-cyclooct-2-en-1-yl]oxy}carbonyl)-L-lysine

9U6

9U6
Name:	3-[(2-{[(benzyloxy)carbonyl]amino}ethyl)selanyl]-L-alanine
Formula:	C13 H18 N2 O4 Se
SMILES:	c1(COC(=O)NCC[Se]CC(C(O)=O)N)ccccc1
InChi:	InChI=1S/C13H18N2O4Se/c14-11(12(16)17)9-20-7-6-15-13(18)19-8-10-4-2-1-3-5-10/h1-5,11H,6-9,14H2,(H,15,18)(H,16,17)/t11-/m0/s1
Definition date:	2018-08-01
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	3-[(2-{[(benzyloxy)carbonyl]amino}ethyl)selanyl]-L-alanine

9U9

9U9
Name:	N6-({[(1R,8S,9s)-bicyclo[6.1.0]non-4-yn-9-yl]methoxy}carbonyl)-L-lysine
Formula:	C17 H26 N2 O4
SMILES:	C1(C2CCC#CCCC12)COC(NCCCCC(C(O)=O)N)=O
InChi:	InChI=1S/C17H26N2O4/c18-15(16(20)21)9-5-6-10-19-17(22)23-11-14-12-7-3-1-2-4-8-13(12)14/h12-15H,3-11,18H2,(H,19,22)(H,20,21)/t12-,13+,14-,15-/m0/s1
Definition date:	2018-08-01
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	N~6~-({[(1R,8S,9s)-bicyclo[6.1.0]non-4-yn-9-yl]methoxy}carbonyl)-L-lysine

9UC

9UC
Name:	N6-{[(4-nitrophenyl)methoxy]carbonyl}-L-lysine
Formula:	C14 H19 N3 O6
SMILES:	c1(COC(=O)NCCCCC(C(O)=O)N)ccc(cc1)[N+]([O-])=O
InChi:	InChI=1S/C14H19N3O6/c15-12(13(18)19)3-1-2-8-16-14(20)23-9-10-4-6-11(7-5-10)17(21)22/h4-7,12H,1-3,8-9,15H2,(H,16,20)(H,18,19)/t12-/m0/s1
Definition date:	2018-08-01
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	N~6~-{[(4-nitrophenyl)methoxy]carbonyl}-L-lysine

9UF

9UF
Name:	N6-{[(6-aminopyridin-3-yl)methoxy]carbonyl}-L-lysine
Formula:	C13 H20 N4 O4
SMILES:	c1(cnc(cc1)N)COC(NCCCCC(C(O)=O)N)=O
InChi:	InChI=1S/C13H20N4O4/c14-10(12(18)19)3-1-2-6-16-13(20)21-8-9-4-5-11(15)17-7-9/h4-5,7,10H,1-3,6,8,14H2,(H2,15,17)(H,16,20)(H,18,19)/t10-/m0/s1
Definition date:	2018-08-02
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	N~6~-{[(6-aminopyridin-3-yl)methoxy]carbonyl}-L-lysine

9V0

9V0
Name:	(2S)-2-azanyl-6-[(2-azidophenyl)methoxycarbonylamino]hexanoic acid
Formula:	C14 H19 N5 O4
SMILES:	N[CH](CCCCNC(=O)OCc1ccccc1N=[N+]=[N-])C(O)=O
InChi:	InChI=1S/C14H19N5O4/c15-11(13(20)21)6-3-4-8-17-14(22)23-9-10-5-1-2-7-12(10)18-19-16/h1-2,5,7,11H,3-4,6,8-9,15H2,(H,17,22)(H,20,21)/t11-/m0/s1
Definition date:	2018-08-16
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	(2~{S})-2-azanyl-6-[(2-azidophenyl)methoxycarbonylamino]hexanoic acid

9V6

9V6
Name:	(2S)-2-azanyl-6-[(2-chlorophenyl)methoxycarbonylamino]hexanoic acid
Formula:	C14 H19 Cl N2 O4
SMILES:	N[CH](CCCCNC(=O)OCc1ccccc1Cl)C(O)=O
InChi:	InChI=1S/C14H19ClN2O4/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-chlorophenyl)methoxycarbonylamino]hexanoic acid

9VC

9VC
Name:	(2S)-2-azanyl-6-(phenylmethoxycarbonylamino)hexanoic acid
Formula:	C14 H20 N2 O4
SMILES:	N[CH](CCCCNC(=O)OCc1ccccc1)C(O)=O
InChi:	InChI=1S/C14H20N2O4/c15-12(13(17)18)8-4-5-9-16-14(19)20-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,15H2,(H,16,19)(H,17,18)/t12-/m0/s1
Definition date:	2018-08-16
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	(2~{S})-2-azanyl-6-(phenylmethoxycarbonylamino)hexanoic acid

9VF

9VF
Name:	(2S)-2-azanyl-6-(trimethylsilylmethoxycarbonylamino)hexanoic acid
Formula:	C11 H24 N2 O4 Si
SMILES:	C[Si](C)(C)COC(=O)NCCCC[CH](N)C(O)=O
InChi:	InChI=1S/C11H24N2O4Si/c1-18(2,3)8-17-11(16)13-7-5-4-6-9(12)10(14)15/h9H,4-8,12H2,1-3H3,(H,13,16)(H,14,15)/t9-/m0/s1
Definition date:	2018-08-16
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	(2~{S})-2-azanyl-6-(trimethylsilylmethoxycarbonylamino)hexanoic acid

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

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

L3U

L3U
Name:	[(2~{R},3~{S},4~{R},5~{R})-5-[3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate
Formula:	C16 H26 N4 O9 S
SMILES:	CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)N(C)C2=O
InChi:	InChI=1S/C16H26N4O9S/c1-8(2)6-9(17)14(24)18-30(26,27)28-7-10-12(22)13(23)15(29-10)20-5-4-11(21)19(3)16(20)25/h4-5,8-10,12-13,15,22-23H,6-7,17H2,1-3H3,(H,18,24)/t9-,10+,12+,13+,15+/m0/s1
Definition date:	2018-12-17
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-[3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate

J0K

J0K
Name:	4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1(6),2,4-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide
Formula:	C24 H29 Cl Ir N3 O4 S
SMILES:	CC1C(C)C(C)C(C)C1C.N[S](=O)(=O)c2ccc(CCN([Ir]Cl)C(=O)c3cc(O)ccn3)cc2
InChi:	InChI=1S/C14H15N3O4S.C10H15.ClH.Ir/c15-22(20,21)12-3-1-10(2-4-12)5-7-17-14(19)13-9-11(18)6-8-16-13
Definition date:	2019-01-10
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1(6),2,4-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide

J0N

J0N
Name:	4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1(6),2,4-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide
Formula:	C24 H29 Cl Ir N3 O3 S
SMILES:	CC1C(C)C(C)C(C)C1C.N[S](=O)(=O)c2ccc(CCN([Ir]Cl)C(=O)c3ccccn3)cc2
InChi:	InChI=1S/C14H15N3O3S.C10H15.ClH.Ir/c15-21(19,20)12-6-4-11(5-7-12)8-10-17-14(18)13-3-1-2-9-16-13
Definition date:	2019-01-10
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1(6),2,4-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide

GTV

GTV
Name:	[(5,7-dimethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid
Formula:	C12 H13 O5 P
SMILES:	Cc2cc(C)c1C(CP(O)(O)=O)=CC(=O)Oc1c2
InChi:	InChI=1S/C12H13O5P/c1-7-3-8(2)12-9(6-18(14,15)16)5-11(13)17-10(12)4-7/h3-5H,6H2,1-2H3,(H2,14,15,16)
Definition date:	2018-04-17
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	[(5,7-dimethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid

GUJ

GUJ
Name:	3-benzyl-2,9-dimethyl-4H,6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,4]oxazepine
Formula:	C17 H17 N3 O S
SMILES:	c3(nnc4COCc1c(sc(c1Cc2ccccc2)C)n34)C
InChi:	InChI=1S/C17H17N3OS/c1-11-14(8-13-6-4-3-5-7-13)15-9-21-10-16-19-18-12(2)20(16)17(15)22-11/h3-7H,8-10H2,1-2H3
Definition date:	2018-06-01
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	3-benzyl-2,9-dimethyl-4H,6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,4]oxazepine

GXH

GXH
Name:	3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-(2-phenylhydrazinyl)-1,3-thiazol-5-yl]pyridin-2-yl]propanamide
Formula:	C31 H28 F N5 O3 S
SMILES:	COc1ccc(OC)c(CCC(=O)Nc2cc(ccn2)c3sc(NNc4ccccc4)nc3c5ccc(F)cc5)c1
InChi:	InChI=1S/C31H28FN5O3S/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/h3-9,11-14,16-19,36H,10,15H2,1-2H3,(H,35,37)(H,33,34,38)
Definition date:	2018-10-16
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-(2-phenylhydrazinyl)-1,3-thiazol-5-yl]pyridin-2-yl]propanamide

KED

KED
Name:	[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid
Formula:	C10 H10 N O4 P
SMILES:	C2(=O)C=C(CP(=O)(O)O)c1ccccc1N2
InChi:	InChI=1S/C10H10NO4P/c12-10-5-7(6-16(13,14)15)8-3-1-2-4-9(8)11-10/h1-5H,6H2,(H,11,12)(H2,13,14,15)
Definition date:	2018-04-17
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid

KJM

KJM
Name:	1-(3-chlorophenyl)cyclobutane-1-carboximidamide
Formula:	C11 H13 Cl N2
SMILES:	NC(=N)C1(CCC1)c2cc(ccc2)Cl
InChi:	InChI=1S/C11H13ClN2/c12-9-4-1-3-8(7-9)11(10(13)14)5-2-6-11/h1,3-4,7H,2,5-6H2,(H3,13,14)
Definition date:	2018-12-16
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	1-(3-chlorophenyl)cyclobutane-1-carboximidamide

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