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B9H

B9H
Name:	2'-methyl, 3-propyl, cytidine-5'-monophosphate
Formula:	C13 H24 N3 O8 P
SMILES:	CCCN1[CH](N)C=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2OC)C1=O
InChi:	InChI=1S/C13H24N3O8P/c1-3-5-15-9(14)4-6-16(13(15)18)12-11(22-2)10(17)8(24-12)7-23-25(19,20)21/h4,6,8-12,17H,3,5,7,14H2,1-2H3,(H2,19,20,21)/t8-,9-,10-,11-,12-/m1/s1
Definition date:	2017-09-26
Last modified:	2019-05-06
Release date:	2018-01-24
Identifier:	[(2~{R},3~{R},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-3-propyl-4~{H}-pyrimidin-1-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate

EAN

EAN
Name:	[(1~{S},2~{R},4~{R},6~{S},8~{R})-8-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate
Formula:	C13 H17 N2 O8 P
SMILES:	CC1=CN([CH]2C[C]3(O)C[CH]4C[C]4(O[P](O)(O)=O)[CH]3O2)C(=O)NC1=O
InChi:	InChI=1S/C13H17N2O8P/c1-6-5-15(11(17)14-9(6)16)8-4-12(18)2-7-3-13(7,10(12)22-8)23-24(19,20)21/h5,7-8,10,18H,2-4H2,1H3,(H,14,16,17)(H2,19,20,21)/t7-,8-,10+,12+,13-/m1/s1
Definition date:	2018-03-12
Last modified:	2019-05-06
Release date:	2018-06-06
Identifier:	[(1~{S},2~{R},4~{R},6~{S},8~{R})-8-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate

F4Q

F4Q
Name:	[(1~{S},2~{R},4~{R},6~{S},8~{R})-8-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate
Formula:	C13 H16 N5 O7 P
SMILES:	NC1=Nc2n(cnc2C(=O)N1)[CH]3C[C]4(O)C[CH]5C[C]5(O[P](O)(O)=O)[CH]4O3
InChi:	InChI=1S/C13H16N5O7P/c14-11-16-8-7(9(19)17-11)15-4-18(8)6-3-12(20)1-5-2-13(5,10(12)24-6)25-26(21,22)23/h4-6,10,20H,1-3H2,(H2,21,22,23)(H3,14,16,17,19)/t5-,6-,10+,12+,13-/m1/s1
Definition date:	2018-05-30
Last modified:	2019-05-06
Release date:	2018-06-06
Identifier:	[(1~{S},2~{R},4~{R},6~{S},8~{R})-8-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate

F7H

F7H
Name:	4-azanyl-1-[(1~{S},2~{R},4~{S},6~{S},8~{R})-2,6-bis(oxidanyl)-9-oxatricyclo[4.3.0.0^{2,4}]nonan-8-yl]-5-methyl-pyrimidin-2-one
Formula:	C13 H17 N3 O4
SMILES:	CC1=CN([CH]2C[C]3(O)C[CH]4C[C]4(O)[CH]3O2)C(=O)N=C1N
InChi:	InChI=1S/C13H17N3O4/c1-6-5-16(11(17)15-9(6)14)8-4-12(18)2-7-3-13(7,19)10(12)20-8/h5,7-8,10,18-19H,2-4H2,1H3,(H2,14,15,17)/t7-,8-,10+,12+,13-/m1/s1
Definition date:	2018-06-06
Last modified:	2019-05-06
Release date:	2018-06-13
Identifier:	4-azanyl-1-[(1~{S},2~{R},4~{S},6~{S},8~{R})-2,6-bis(oxidanyl)-9-oxatricyclo[4.3.0.0^{2,4}]nonan-8-yl]-5-methyl-pyrimidin-2-one

F7K

F7K
Name:	2-azanyl-9-[(1~{S},2~{R},4~{S},6~{S},8~{R})-2,6-bis(oxidanyl)-9-oxatricyclo[4.3.0.0^{2,4}]nonan-8-yl]-1~{H}-purin-6-one
Formula:	C13 H15 N5 O4
SMILES:	NC1=Nc2n(cnc2C(=O)N1)[CH]3C[C]4(O)C[CH]5C[C]5(O)[CH]4O3
InChi:	InChI=1S/C13H15N5O4/c14-11-16-8-7(9(19)17-11)15-4-18(8)6-3-12(20)1-5-2-13(5,21)10(12)22-6/h4-6,10,20-21H,1-3H2,(H3,14,16,17,19)/t5-,6-,10+,12+,13-/m1/s1
Definition date:	2018-06-07
Last modified:	2019-05-06
Release date:	2018-06-13
Identifier:	2-azanyl-9-[(1~{S},2~{R},4~{S},6~{S},8~{R})-2,6-bis(oxidanyl)-9-oxatricyclo[4.3.0.0^{2,4}]nonan-8-yl]-1~{H}-purin-6-one

M5J

M5J
Name:	1-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
Formula:	C15 H20 F N O
SMILES:	c2cc(cc(C1N(CCC1)C(C(C)(C)C)=O)c2)F
InChi:	InChI=1S/C15H20FNO/c1-15(2,3)14(18)17-9-5-8-13(17)11-6-4-7-12(16)10-11/h4,6-7,10,13H,5,8-9H2,1-3H3/t13-/m0/s1
Definition date:	2019-03-26
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	1-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one

JRT

JRT
Name:	2-(benzimidazol-1-yl)-~{N}-(2-phenylethyl)ethanamide
Formula:	C17 H17 N3 O
SMILES:	O=C(Cn1cnc2ccccc12)NCCc3ccccc3
InChi:	InChI=1S/C17H17N3O/c21-17(18-11-10-14-6-2-1-3-7-14)12-20-13-19-15-8-4-5-9-16(15)20/h1-9,13H,10-12H2,(H,18,21)
Definition date:	2019-03-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	2-(benzimidazol-1-yl)-~{N}-(2-phenylethyl)ethanamide

JRW

JRW
Name:	(1~{S},10~{S})-12-cyclobutyl-5-methyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one
Formula:	C19 H26 N2 O2
SMILES:	CC(C)[C]12C[C](O)(N(C3CCC3)C1=O)c4ccc(C)cc4CN2
InChi:	InChI=1S/C19H26N2O2/c1-12(2)18-11-19(23,21(17(18)22)15-5-4-6-15)16-8-7-13(3)9-14(16)10-20-18/h7-9,12,15,20,23H,4-6,10-11H2,1-3H3/t18-,19-/m0/s1
Definition date:	2019-03-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	(1~{S},10~{S})-12-cyclobutyl-5-methyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one

JSB

JSB
Name:	(1~{S},10~{S})-12-cyclopropyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one
Formula:	C17 H22 N2 O2
SMILES:	CC(C)[C]12C[C](O)(N(C3CC3)C1=O)c4ccccc4CN2
InChi:	InChI=1S/C17H22N2O2/c1-11(2)16-10-17(21,19(15(16)20)13-7-8-13)14-6-4-3-5-12(14)9-18-16/h3-6,11,13,18,21H,7-10H2,1-2H3/t16-,17-/m0/s1
Definition date:	2019-03-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	(1~{S},10~{S})-12-cyclopropyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one

JSN

JSN
Name:	(6~{S})-6-[2,4-bis(fluoranyl)phenyl]-~{N},~{N},4-trimethyl-2-oxidanylidene-5,6-dihydro-1~{H}-pyrimidine-5-carboxamide
Formula:	C14 H15 F2 N3 O2
SMILES:	CN(C)C(=O)[CH]1[CH](NC(=O)N=C1C)c2ccc(F)cc2F
InChi:	InChI=1S/C14H15F2N3O2/c1-7-11(13(20)19(2)3)12(18-14(21)17-7)9-5-4-8(15)6-10(9)16/h4-6,11-12H,1-3H3,(H,18,21)/t11-,12-/m1/s1
Definition date:	2019-03-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	(6~{S})-6-[2,4-bis(fluoranyl)phenyl]-~{N},~{N},4-trimethyl-2-oxidanylidene-5,6-dihydro-1~{H}-pyrimidine-5-carboxamide

JV5

JV5
Name:	~{N}-(1~{H}-benzotriazol-5-yl)-2-(2-methylphenoxy)ethanamide
Formula:	C15 H14 N4 O2
SMILES:	Cc1ccccc1OCC(=O)Nc2ccc3[nH]nnc3c2
InChi:	InChI=1S/C15H14N4O2/c1-10-4-2-3-5-14(10)21-9-15(20)16-11-6-7-12-13(8-11)18-19-17-12/h2-8H,9H2,1H3,(H,16,20)(H,17,18,19)
Definition date:	2019-04-02
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	~{N}-(1~{H}-benzotriazol-5-yl)-2-(2-methylphenoxy)ethanamide

JV8

JV8
Name:	~{N}-isoquinolin-6-yl-2-(2-methylphenoxy)ethanamide
Formula:	C18 H16 N2 O2
SMILES:	Cc1ccccc1OCC(=O)Nc2ccc3cnccc3c2
InChi:	InChI=1S/C18H16N2O2/c1-13-4-2-3-5-17(13)22-12-18(21)20-16-7-6-15-11-19-9-8-14(15)10-16/h2-11H,12H2,1H3,(H,20,21)
Definition date:	2019-04-02
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	~{N}-isoquinolin-6-yl-2-(2-methylphenoxy)ethanamide

JVB

JVB
Name:	2-(2-methylphenoxy)-~{N}-pyridin-3-yl-ethanamide
Formula:	C14 H14 N2 O2
SMILES:	Cc1ccccc1OCC(=O)Nc2cccnc2
InChi:	InChI=1S/C14H14N2O2/c1-11-5-2-3-7-13(11)18-10-14(17)16-12-6-4-8-15-9-12/h2-9H,10H2,1H3,(H,16,17)
Definition date:	2019-04-02
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	2-(2-methylphenoxy)-~{N}-pyridin-3-yl-ethanamide

MHG

MHG
Name:	2-methyl, 7-(3-methyl-pentane), guanosine-5'-monophosphate
Formula:	C17 H30 N5 O8 P
SMILES:	CC[CH](C)CCN1CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C3=C1C(=O)NC(=N3)NC
InChi:	InChI=1S/C17H30N5O8P/c1-4-9(2)5-6-21-8-22(14-11(21)15(25)20-17(18-3)19-14)16-13(24)12(23)10(30-16)7-29-31(26,27)28/h9-10,12-13,16,23-24H,4-8H2,1-3H3,(H2,26,27,28)(H2,18,19,20,25)/t9-,10+,12+,13+,16+/m0/s1
Definition date:	2017-09-25
Last modified:	2019-05-03
Release date:	2018-01-24
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-[2-(methylamino)-7-[(3~{S})-3-methylpentyl]-6-oxidanylidene-1,8-dihydropurin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

KHY

KHY
Name:	(S)-(4-chloro-2-methoxy-3-{[4-(trifluoromethyl)piperidin-1-yl]methyl}quinolin-6-yl)(1,2-dimethyl-1H-imidazol-5-yl)[2-(trifluoromethyl)pyridin-4-yl]methanol
Formula:	C29 H28 Cl F6 N5 O2
SMILES:	c32c(c(CN1CCC(CC1)C(F)(F)F)c(nc2ccc(c3)C(c4cnc(C)n4C)(O)c5ccnc(c5)C(F)(F)F)OC)Cl
InChi:	InChI=1S/C29H28ClF6N5O2/c1-16-38-14-24(40(16)2)27(42,19-6-9-37-23(13-19)29(34,35)36)18-4-5-22-20(12-18)25(30)21(26(39-22)43-3)15-41-10-7-17(8-11-41)28(31,32)33/h4-6,9,12-14,17,42H,7-8,10-11,15H2,1-3H3/t27-/m0/s1
Definition date:	2018-12-10
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	(S)-(4-chloro-2-methoxy-3-{[4-(trifluoromethyl)piperidin-1-yl]methyl}quinolin-6-yl)(1,2-dimethyl-1H-imidazol-5-yl)[2-(trifluoromethyl)pyridin-4-yl]methanol

LD4

LD4
Name:	N-cycloheptylpyrimidin-2-amine
Formula:	C11 H17 N3
SMILES:	n1c(nccc1)NC2CCCCCC2
InChi:	InChI=1S/C11H17N3/c1-2-4-7-10(6-3-1)14-11-12-8-5-9-13-11/h5,8-10H,1-4,6-7H2,(H,12,13,14)
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	N-cycloheptylpyrimidin-2-amine

LD7

LD7
Name:	3-ethyl-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
Formula:	C12 H12 F N3 O2
SMILES:	n2oc(C(NCc1ccc(F)cc1)=O)nc2CC
InChi:	InChI=1S/C12H12FN3O2/c1-2-10-15-12(18-16-10)11(17)14-7-8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3,(H,14,17)
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	3-ethyl-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide

LDD

LDD
Name:	(azepan-1-yl)(4-methoxyphenyl)methanone
Formula:	C14 H19 N O2
SMILES:	N1(CCCCCC1)C(c2ccc(cc2)OC)=O
InChi:	InChI=1S/C14H19NO2/c1-17-13-8-6-12(7-9-13)14(16)15-10-4-2-3-5-11-15/h6-9H,2-5,10-11H2,1H3
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	(azepan-1-yl)(4-methoxyphenyl)methanone

ONC

ONC
Name:	7-benzyl-4-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(4H)-one
Formula:	C24 H24 N4 O
SMILES:	Cc1c(cccc1)CN4C(C=2CN(CCC=2n3c4ncc3)Cc5ccccc5)=O
InChi:	InChI=1S/C24H24N4O/c1-18-7-5-6-10-20(18)16-28-23(29)21-17-26(15-19-8-3-2-4-9-19)13-11-22(21)27-14-12-25-24(27)28/h2-10,12,14H,11,13,15-17H2,1H3
Definition date:	2018-06-03
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	7-benzyl-4-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(4H)-one

LDS

LDS
Name:	N-(4-ethoxyphenyl)pyrazine-2-carboxamide
Formula:	C13 H13 N3 O2
SMILES:	n2ccnc(C(Nc1ccc(cc1)OCC)=O)c2
InChi:	InChI=1S/C13H13N3O2/c1-2-18-11-5-3-10(4-6-11)16-13(17)12-9-14-7-8-15-12/h3-9H,2H2,1H3,(H,16,17)
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	N-(4-ethoxyphenyl)pyrazine-2-carboxamide

LE4

LE4
Name:	[2-(cycloheptylamino)pyrimidin-4-yl]methanol
Formula:	C12 H19 N3 O
SMILES:	n1c(nc(CO)cc1)NC2CCCCCC2
InChi:	InChI=1S/C12H19N3O/c16-9-11-7-8-13-12(15-11)14-10-5-3-1-2-4-6-10/h7-8,10,16H,1-6,9H2,(H,13,14,15)
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	[2-(cycloheptylamino)pyrimidin-4-yl]methanol

LE7

LE7
Name:	N-[(4-fluorophenyl)methyl]-3-propyl-1H-pyrazole-5-carboxamide
Formula:	C14 H16 F N3 O
SMILES:	n1c(cc(CCC)n1)C(NCc2ccc(cc2)F)=O
InChi:	InChI=1S/C14H16FN3O/c1-2-3-12-8-13(18-17-12)14(19)16-9-10-4-6-11(15)7-5-10/h4-8H,2-3,9H2,1H3,(H,16,19)(H,17,18)
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	N-[(4-fluorophenyl)methyl]-3-propyl-1H-pyrazole-5-carboxamide

LEJ

LEJ
Name:	1-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-3-carboxamide
Formula:	C12 H10 F3 N3 O
SMILES:	n2(ccc(C(NCc1ccc(F)cc1)=O)n2)C(F)F
InChi:	InChI=1S/C12H10F3N3O/c13-9-3-1-8(2-4-9)7-16-11(19)10-5-6-18(17-10)12(14)15/h1-6,12H,7H2,(H,16,19)
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	1-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-3-carboxamide

LES

LES
Name:	(3S)-N-(pyrimidin-2-yl)azepan-3-amine
Formula:	C10 H16 N4
SMILES:	N(C1CNCCCC1)c2ncccn2
InChi:	InChI=1S/C10H16N4/c1-2-5-11-8-9(4-1)14-10-12-6-3-7-13-10/h3,6-7,9,11H,1-2,4-5,8H2,(H,12,13,14)/t9-/m0/s1
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	(3S)-N-(pyrimidin-2-yl)azepan-3-amine

LEY

LEY
Name:	N-[(4-fluorophenyl)methyl]-2-(propan-2-yl)-1H-imidazole-5-carboxamide
Formula:	C14 H16 F N3 O
SMILES:	n2c(C(NCc1ccc(cc1)F)=O)cnc2C(C)C
InChi:	InChI=1S/C14H16FN3O/c1-9(2)13-16-8-12(18-13)14(19)17-7-10-3-5-11(15)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,16,18)(H,17,19)
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	N-[(4-fluorophenyl)methyl]-2-(propan-2-yl)-1H-imidazole-5-carboxamide

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