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HUT

HUT
Name:	(2~{S})-2-(butylamino)-~{N}-(3-cycloheptylpropyl)-3-(1~{H}-indol-3-yl)propanamide
Formula:	C25 H39 N3 O
SMILES:	CCCCN[CH](Cc1c[nH]c2ccccc12)C(=O)NCCCC3CCCCCC3
InChi:	InChI=1S/C25H39N3O/c1-2-3-16-26-24(18-21-19-28-23-15-9-8-14-22(21)23)25(29)27-17-10-13-20-11-6-4-5-7-12-20/h8-9,14-15,19-20,24,26,28H,2-7,10-13,16-18H2,1H3,(H,27,29)/t24-/m0/s1
Definition date:	2018-12-19
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	(2~{S})-2-(butylamino)-~{N}-(3-cycloheptylpropyl)-3-(1~{H}-indol-3-yl)propanamide

HUV

HUV
Name:	methyl 1-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-alpha-D-erythro-pentofuranosyl}-1H-indole-5-carboxylate
Formula:	C15 H20 N O14 P3
SMILES:	O=C(c3ccc1c(ccn1C2CC(C(O2)COP(=O)(O)OP(O)(=O)OP(O)(=O)O)O)c3)OC
InChi:	InChI=1S/C15H20NO14P3/c1-26-15(18)10-2-3-11-9(6-10)4-5-16(11)14-7-12(17)13(28-14)8-27-32(22,23)30-33(24,25)29-31(19,20)21/h2-6,12-14,17H,7-8H2,1H3,(H,22,23)(H,24,25)(H2,19,20,21)/t12-,13+,14-/m0/s1
Definition date:	2018-07-20
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	methyl 1-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-alpha-D-erythro-pentofuranosyl}-1H-indole-5-carboxylate

HUZ

HUZ
Name:	(2~{S})-2-(butylamino)-~{N}-[2-[4-(dimethylamino)cyclohexyl]ethyl]-3-(1~{H}-indol-3-yl)propanamide
Formula:	C25 H40 N4 O
SMILES:	CCCCN[CH](Cc1c[nH]c2ccccc12)C(=O)NCC[CH]3CC[CH](CC3)N(C)C
InChi:	InChI=1S/C25H40N4O/c1-4-5-15-26-24(17-20-18-28-23-9-7-6-8-22(20)23)25(30)27-16-14-19-10-12-21(13-11-19)29(2)3/h6-9,18-19,21,24,26,28H,4-5,10-17H2,1-3H3,(H,27,30)/t19-,21-,24-/m0/s1
Definition date:	2018-12-19
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	(2~{S})-2-(butylamino)-~{N}-[2-[4-(dimethylamino)cyclohexyl]ethyl]-3-(1~{H}-indol-3-yl)propanamide

HV2

HV2
Name:	1,1-bis(oxidanylidene)thietan-3-ol
Formula:	C3 H6 O3 S
SMILES:	OC1C[S](=O)(=O)C1
InChi:	InChI=1S/C3H6O3S/c4-3-1-7(5,6)2-3/h3-4H,1-2H2
Definition date:	2018-12-19
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	1,1-bis(oxidanylidene)thietan-3-ol

HVE

HVE
Name:	[1-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methylazanium
Formula:	C12 H18 N5
SMILES:	[NH3+]CC1CCN(CC1)c2ncnc3[nH]ccc23
InChi:	InChI=1S/C12H17N5/c13-7-9-2-5-17(6-3-9)12-10-1-4-14-11(10)15-8-16-12/h1,4,8-9H,2-3,5-7,13H2,(H,14,15,16)/p+1
Definition date:	2018-12-19
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	[1-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methylazanium

HVQ

HVQ
Name:	thiophen-3-ylmethylazanium
Formula:	C5 H8 N S
SMILES:	[NH3+]Cc1cscc1
InChi:	InChI=1S/C5H7NS/c6-3-5-1-2-7-4-5/h1-2,4H,3,6H2/p+1
Definition date:	2018-12-20
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	thiophen-3-ylmethylazanium

HY8

HY8
Name:	(2~{S})-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[[9-[(2~{S},3~{R},4~{S},5~{S})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]propyl]amino]-2-azanyl-butanoic acid
Formula:	C27 H38 N12 O9
SMILES:	N[CH](CCN(CCCNc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O)C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)C(O)=O
InChi:	InChI=1S/C27H38N12O9/c28-12(27(45)46)2-5-37(6-13-17(41)19(43)25(47-13)38-10-35-15-21(29)31-8-33-23(15)38)4-1-3-30-22-16-24(34-9-32-22)39(11-36-16)26-20(44)18(42)14(7-40)48-26/h8-14,17-20,25-26,40-44H,1-7,28H2,(H,45,46)(H2,29,31,33)(H,30,32,34)/t12-,13-,14-,17+,18+,19+,20+,25+,26-/m0/s1
Definition date:	2019-01-03
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	(2~{S})-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[[9-[(2~{S},3~{R},4~{S},5~{S})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]propyl]amino]-2-azanyl-butanoic acid

HZ2

HZ2
Name:	(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[2-[[9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]ethyl]amino]-2-azanyl-butanoic acid
Formula:	C26 H36 N12 O9
SMILES:	N[CH](CCN(CCNc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O)C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)C(O)=O
InChi:	InChI=1S/C26H36N12O9/c27-11(26(44)45)1-3-36(5-12-16(40)18(42)24(46-12)37-9-34-14-20(28)30-7-32-22(14)37)4-2-29-21-15-23(33-8-31-21)38(10-35-15)25-19(43)17(41)13(6-39)47-25/h7-13,16-19,24-25,39-43H,1-6,27H2,(H,44,45)(H2,28,30,32)(H,29,31,33)/t11-,12+,13+,16+,17+,18+,19+,24+,25+/m0/s1
Definition date:	2019-01-04
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[2-[[9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]ethyl]amino]-2-azanyl-butanoic acid

HZY

HZY
Name:	6-(sulfamoyloxy)-2-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium
Formula:	C19 H21 N2 O6 S
SMILES:	COc1cc(cc(c1OC)OC)C[n+]2cc3c(cc2)cc(cc3)OS(=O)(=O)N
InChi:	InChI=1S/C19H21N2O6S/c1-24-17-8-13(9-18(25-2)19(17)26-3)11-21-7-6-14-10-16(27-28(20,22)23)5-4-15(14)12-21/h4-10,12H,11H2,1-3H3,(H2,20,22,23)/q+1
Definition date:	2018-08-01
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	6-(sulfamoyloxy)-2-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium

J04

J04
Name:	7-methoxy-6-(sulfamoyloxy)-2-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium
Formula:	C20 H23 N2 O7 S
SMILES:	COc1c(OC)c(OC)cc(c1)C[n+]2ccc3cc(c(cc3c2)OC)OS(N)(=O)=O
InChi:	InChI=1S/C20H23N2O7S/c1-25-16-10-15-12-22(6-5-14(15)9-17(16)29-30(21,23)24)11-13-7-18(26-2)20(28-4)19(8-13)27-3/h5-10,12H,11H2,1-4H3,(H2,21,23,24)/q+1
Definition date:	2018-08-01
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	7-methoxy-6-(sulfamoyloxy)-2-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium

J0A

J0A
Name:	(13alpha,17alpha)-2-methoxyestra-1,3,5,7,9,11-hexaene-3,17-diyl disulfamate
Formula:	C19 H22 N2 O7 S2
SMILES:	COc1c(cc4c(c1)c2c(C3C(C=C2)(C(CC3)OS(=O)(=O)N)C)cc4)OS(=O)(=O)N
InChi:	InChI=1S/C19H22N2O7S2/c1-19-8-7-12-13(15(19)5-6-18(19)28-30(21,24)25)4-3-11-9-17(27-29(20,22)23)16(26-2)10-14(11)12/h3-4,7-10,15,18H,5-6H2,1-2H3,(H2,20,22,23)(H2,21,24,25)/t15-,18-,19-/m0/s1
Definition date:	2018-08-01
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	(13alpha,17alpha)-2-methoxyestra-1,3,5,7,9,11-hexaene-3,17-diyl disulfamate

9V9

9V9
Name:	1-{2,5-anhydro-4-[(phosphonooxy)methyl]-alpha-L-lyxofuranosyl}-5-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Formula:	C11 H15 N2 O8 P S
SMILES:	C1(=O)NC(N(C=C1C)C2OC3(COP(O)(O)=O)C(C2OC3)O)=S
InChi:	InChI=1S/C11H15N2O8PS/c1-5-2-13(10(23)12-8(5)15)9-6-7(14)11(21-9,3-19-6)4-20-22(16,17)18/h2,6-7,9,14H,3-4H2,1H3,(H,12,15,23)(H2,16,17,18)/t6-,7+,9-,11-/m1/s1
Definition date:	2018-08-16
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	1-{2,5-anhydro-4-[(phosphonooxy)methyl]-alpha-L-lyxofuranosyl}-5-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one

JU7

JU7
Name:	6-cyclohexylhexyl beta-D-glucopyranoside
Formula:	C18 H34 O6
SMILES:	C1(C(C(C(OC1OCCCCCCC2CCCCC2)CO)O)O)O
InChi:	InChI=1S/C18H34O6/c19-12-14-15(20)16(21)17(22)18(24-14)23-11-7-2-1-4-8-13-9-5-3-6-10-13/h13-22H,1-12H2/t14-,15-,16+,17-,18-/m1/s1
Definition date:	2018-09-24
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	6-cyclohexylhexyl beta-D-glucopyranoside

JVD

JVD
Name:	N-[(2R)-3-methylbutan-2-yl]-1H-benzotriazole-6-carboxamide
Formula:	C12 H16 N4 O
SMILES:	c1cc2c(cc1C(NC(C)C(C)C)=O)nnn2
InChi:	InChI=1S/C12H16N4O/c1-7(2)8(3)13-12(17)9-4-5-10-11(6-9)15-16-14-10/h4-8H,1-3H3,(H,13,17)(H,14,15,16)/t8-/m1/s1
Definition date:	2018-10-02
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	N-[(2R)-3-methylbutan-2-yl]-1H-benzotriazole-6-carboxamide

L8M

L8M
Name:	N-(5-tert-butyl-1H-pyrazol-3-yl)-8-fluoro-2-[(2R)-2-methylpiperazin-1-yl]quinazolin-4-amine
Formula:	C20 H26 F N7
SMILES:	c34c(c(Nc1cc(C(C)(C)C)nn1)nc(N2C(C)CNCC2)n3)cccc4F
InChi:	InChI=1S/C20H26FN7/c1-12-11-22-8-9-28(12)19-24-17-13(6-5-7-14(17)21)18(25-19)23-16-10-15(26-27-16)20(2,3)4/h5-7,10,12,22H,8-9,11H2,1-4H3,(H2,23,24,25,26,27)/t12-/m1/s1
Definition date:	2019-02-12
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	N-(5-tert-butyl-1H-pyrazol-3-yl)-8-fluoro-2-[(2R)-2-methylpiperazin-1-yl]quinazolin-4-amine

LBD

LBD
Name:	N-(3-tert-butyl-1H-pyrazol-5-yl)-2-[(2R)-2-methylpiperazin-1-yl]quinazolin-4-amine
Formula:	C20 H27 N7
SMILES:	CC1CNCCN1c2nc(c3c(n2)cccc3)Nc4nnc(C(C)(C)C)c4
InChi:	InChI=1S/C20H27N7/c1-13-12-21-9-10-27(13)19-22-15-8-6-5-7-14(15)18(24-19)23-17-11-16(25-26-17)20(2,3)4/h5-8,11,13,21H,9-10,12H2,1-4H3,(H2,22,23,24,25,26)/t13-/m1/s1
Definition date:	2019-02-15
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	N-(3-tert-butyl-1H-pyrazol-5-yl)-2-[(2R)-2-methylpiperazin-1-yl]quinazolin-4-amine

LUD

LUD
Name:	N-{4-[(6aR)-3-amino-1,9-dioxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]benzene-1-carbonyl}-L-glutamic acid
Formula:	C20 H21 N7 O7
SMILES:	N=4C2=C(N3C(N(c1ccc(cc1)C(NC(C(=O)O)CCC(O)=O)=O)CC3CN2)=O)C(=O)NC=4N
InChi:	InChI=1S/C20H21N7O7/c21-19-24-15-14(17(31)25-19)27-11(7-22-15)8-26(20(27)34)10-3-1-9(2-4-10)16(30)23-12(18(32)33)5-6-13(28)29/h1-4,11-12H,5-8H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)/t11-,12+/m1/s1
Definition date:	2019-03-14
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	N-{4-[(6aR)-3-amino-1,9-dioxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]benzene-1-carbonyl}-L-glutamic acid

KCD

KCD
Name:	7-(difluoromethoxy)-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide
Formula:	C20 H24 F2 N2 O3
SMILES:	CC(C)(C1CCC(CC1)NC(c3cnc2cc(OC(F)F)ccc2c3)=O)O
InChi:	InChI=1S/C20H24F2N2O3/c1-20(2,26)14-4-6-15(7-5-14)24-18(25)13-9-12-3-8-16(27-19(21)22)10-17(12)23-11-13/h3,8-11,14-15,19,26H,4-7H2,1-2H3,(H,24,25)/t14-,15-
Definition date:	2018-11-20
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	7-(difluoromethoxy)-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide

KDV

KDV
Name:	quinoline-3-carbonitrile
Formula:	C10 H6 N2
SMILES:	C(c2cnc1ccccc1c2)#N
InChi:	InChI=1S/C10H6N2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-5,7H
Definition date:	2018-11-27
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	quinoline-3-carbonitrile

AUU

AUU
Name:	(1S,2S,4R)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid
Formula:	C8 H13 N O2
SMILES:	C(C1(C2CCC(C1)C2)N)(=O)O
InChi:	InChI=1S/C8H13NO2/c9-8(7(10)11)4-5-1-2-6(8)3-5/h5-6H,1-4,9H2,(H,10,11)/t5-,6+,8+/m1/s1
Definition date:	2018-11-21
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	(1S,2S,4R)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid

B0X

B0X
Name:	3-[[6-(2,6-dimethylpyridin-3-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid
Formula:	C23 H21 N3 O4
SMILES:	Cn1c(COc2cccc(c2)C(O)=O)nc3ccc(Oc4ccc(C)nc4C)cc13
InChi:	InChI=1S/C23H21N3O4/c1-14-7-10-21(15(2)24-14)30-18-8-9-19-20(12-18)26(3)22(25-19)13-29-17-6-4-5-16(11-17)23(27)28/h4-12H,13H2,1-3H3,(H,27,28)
Definition date:	2018-12-28
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	3-[[6-(2,6-dimethylpyridin-3-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid

B1O

B1O
Name:	3-[[6-(2,6-dimethylpyridin-3-yl)oxy-7-fluoranyl-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid
Formula:	C23 H20 F N3 O4
SMILES:	Cn1c(COc2cccc(c2)C(O)=O)nc3ccc(Oc4ccc(C)nc4C)c(F)c13
InChi:	InChI=1S/C23H20FN3O4/c1-13-7-9-18(14(2)25-13)31-19-10-8-17-22(21(19)24)27(3)20(26-17)12-30-16-6-4-5-15(11-16)23(28)29/h4-11H,12H2,1-3H3,(H,28,29)
Definition date:	2018-12-28
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	3-[[6-(2,6-dimethylpyridin-3-yl)oxy-7-fluoranyl-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid

E9E

E9E
Name:	1-[methoxy(methyl)phosphoryl]oxyethane
Formula:	C4 H11 O3 P
SMILES:	CCO[P](C)(=O)OC
InChi:	InChI=1S/C4H11O3P/c1-4-7-8(3,5)6-2/h4H2,1-3H3/t8-/m0/s1
Definition date:	2018-03-06
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	1-[methoxy(methyl)phosphoryl]oxyethane

EBK

EBK
Name:	2,6-bis(chloranyl)-4-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-~{N}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
Formula:	C22 H26 Cl2 N6 O2 S
SMILES:	CN1CCN(CC1)c2cc(ccn2)c3cc(Cl)c(c(Cl)c3)[S](=O)(=O)Nc4c(C)nn(C)c4C
InChi:	InChI=1S/C22H26Cl2N6O2S/c1-14-21(15(2)29(4)26-14)27-33(31,32)22-18(23)11-17(12-19(22)24)16-5-6-25-20(13-16)30-9-7-28(3)8-10-30/h5-6,11-13,27H,7-10H2,1-4H3
Definition date:	2018-03-13
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	2,6-bis(chloranyl)-4-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-~{N}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

EKT

EKT
Name:	2-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]amino]-5,7,7-trimethyl-8-(3-methylbutyl)pteridin-6-one
Formula:	C20 H25 F2 N5 O2
SMILES:	CC(C)CCN1c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(C)C(=O)C1(C)C
InChi:	InChI=1S/C20H25F2N5O2/c1-11(2)6-7-27-17-15(26(5)18(29)20(27,3)4)10-23-19(25-17)24-12-8-13(21)16(28)14(22)9-12/h8-11,28H,6-7H2,1-5H3,(H,23,24,25)
Definition date:	2018-03-26
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	2-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]amino]-5,7,7-trimethyl-8-(3-methylbutyl)pteridin-6-one

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