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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

LF4

LF4
Name:	N-[(4-fluorophenyl)methyl]-3-(propan-2-yl)-1H-pyrazole-5-carboxamide
Formula:	C14 H16 F N3 O
SMILES:	n1c(cc(n1)C(C)C)C(NCc2ccc(cc2)F)=O
InChi:	InChI=1S/C14H16FN3O/c1-9(2)12-7-13(18-17-12)14(19)16-8-10-3-5-11(15)6-4-10/h3-7,9H,8H2,1-2H3,(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-(propan-2-yl)-1H-pyrazole-5-carboxamide

LFG

LFG
Name:	N-cycloheptyl-5-cyclopropyl-1,3,4-oxadiazol-2-amine
Formula:	C12 H19 N3 O
SMILES:	n2nc(NC1CCCCCC1)oc2C3CC3
InChi:	InChI=1S/C12H19N3O/c1-2-4-6-10(5-3-1)13-12-15-14-11(16-12)9-7-8-9/h9-10H,1-8H2,(H,13,15)
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	N-cycloheptyl-5-cyclopropyl-1,3,4-oxadiazol-2-amine

LFJ

LFJ
Name:	1-[4-(2H-1,3-benzodioxole-5-carbonyl)-2,3,4,5-tetrahydro-1H-1,4-diazepin-1-yl]ethan-1-one
Formula:	C15 H16 N2 O4
SMILES:	N1(CCN(C=CC1)C(C)=O)C(=O)c2cc3c(cc2)OCO3
InChi:	InChI=1S/C15H16N2O4/c1-11(18)16-5-2-6-17(8-7-16)15(19)12-3-4-13-14(9-12)21-10-20-13/h2-5,9H,6-8,10H2,1H3
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	1-[4-(2H-1,3-benzodioxole-5-carbonyl)-2,3,4,5-tetrahydro-1H-1,4-diazepin-1-yl]ethan-1-one

LFM

LFM
Name:	N-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
Formula:	C14 H14 F N3 O2
SMILES:	N(Cc1ccc(F)cc1)C(=O)c2cnn3c2OCCC3
InChi:	InChI=1S/C14H14FN3O2/c15-11-4-2-10(3-5-11)8-16-13(19)12-9-17-18-6-1-7-20-14(12)18/h2-5,9H,1,6-8H2,(H,16,19)
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	N-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide

LFP

LFP
Name:	5-chloro-N-[(4-fluorophenyl)methyl]-1-methyl-1H-pyrazole-4-carboxamide
Formula:	C12 H11 Cl F N3 O
SMILES:	n2(c(c(C(NCc1ccc(cc1)F)=O)cn2)Cl)C
InChi:	InChI=1S/C12H11ClFN3O/c1-17-11(13)10(7-16-17)12(18)15-6-8-2-4-9(14)5-3-8/h2-5,7H,6H2,1H3,(H,15,18)
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	5-chloro-N-[(4-fluorophenyl)methyl]-1-methyl-1H-pyrazole-4-carboxamide

LFY

LFY
Name:	1-ethyl-N-[(4-fluorophenyl)methyl]-1H-imidazole-4-carboxamide
Formula:	C13 H14 F N3 O
SMILES:	n2(cnc(C(NCc1ccc(F)cc1)=O)c2)CC
InChi:	InChI=1S/C13H14FN3O/c1-2-17-8-12(16-9-17)13(18)15-7-10-3-5-11(14)6-4-10/h3-6,8-9H,2,7H2,1H3,(H,15,18)
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	1-ethyl-N-[(4-fluorophenyl)methyl]-1H-imidazole-4-carboxamide

LH7

LH7
Name:	1-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
Formula:	C16 H18 F N3 O3 S
SMILES:	n2n(C1CCS(C1)(=O)=O)c(C)c(c2)C(NCc3ccc(cc3)F)=O
InChi:	InChI=1S/C16H18FN3O3S/c1-11-15(9-19-20(11)14-6-7-24(22,23)10-14)16(21)18-8-12-2-4-13(17)5-3-12/h2-5,9,14H,6-8,10H2,1H3,(H,18,21)/t14-/m0/s1
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	1-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide

LHM

LHM
Name:	N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
Formula:	C15 H16 F N3 O
SMILES:	N(Cc1ccc(cc1)F)C(=O)c2cnn3c2CCCC3
InChi:	InChI=1S/C15H16FN3O/c16-12-6-4-11(5-7-12)9-17-15(20)13-10-18-19-8-2-1-3-14(13)19/h4-7,10H,1-3,8-9H2,(H,17,20)
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

LHS

LHS
Name:	N-[(4-fluorophenyl)methyl]-5-(methoxymethyl)-1,2,4-oxadiazole-3-carboxamide
Formula:	C12 H12 F N3 O3
SMILES:	n2c(C(NCc1ccc(F)cc1)=O)noc2COC
InChi:	InChI=1S/C12H12FN3O3/c1-18-7-10-15-11(16-19-10)12(17)14-6-8-2-4-9(13)5-3-8/h2-5H,6-7H2,1H3,(H,14,17)
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	N-[(4-fluorophenyl)methyl]-5-(methoxymethyl)-1,2,4-oxadiazole-3-carboxamide

LJ7

LJ7
Name:	N-[(4-fluorophenyl)methyl]-1-(propan-2-yl)-1H-pyrazole-3-carboxamide
Formula:	C14 H16 F N3 O
SMILES:	n1(nc(cc1)C(NCc2ccc(cc2)F)=O)C(C)C
InChi:	InChI=1S/C14H16FN3O/c1-10(2)18-8-7-13(17-18)14(19)16-9-11-3-5-12(15)6-4-11/h3-8,10H,9H2,1-2H3,(H,16,19)
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	N-[(4-fluorophenyl)methyl]-1-(propan-2-yl)-1H-pyrazole-3-carboxamide

LJA

LJA
Name:	N-[3-(carbamoylamino)phenyl]acetamide
Formula:	C9 H11 N3 O2
SMILES:	N(C(C)=O)c1cccc(c1)NC(N)=O
InChi:	InChI=1S/C9H11N3O2/c1-6(13)11-7-3-2-4-8(5-7)12-9(10)14/h2-5H,1H3,(H,11,13)(H3,10,12,14)
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	N-[3-(carbamoylamino)phenyl]acetamide

LJD

LJD
Name:	N-[(4-chlorophenyl)methyl]-1-methyl-1H-pyrazole-4-carboxamide
Formula:	C12 H12 Cl N3 O
SMILES:	n1(cc(cn1)C(NCc2ccc(Cl)cc2)=O)C
InChi:	InChI=1S/C12H12ClN3O/c1-16-8-10(7-15-16)12(17)14-6-9-2-4-11(13)5-3-9/h2-5,7-8H,6H2,1H3,(H,14,17)
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	N-[(4-chlorophenyl)methyl]-1-methyl-1H-pyrazole-4-carboxamide

LJJ

LJJ
Name:	N-cycloheptyl-5-methyl-1,3,4-oxadiazol-2-amine
Formula:	C10 H17 N3 O
SMILES:	n2nc(NC1CCCCCC1)oc2C
InChi:	InChI=1S/C10H17N3O/c1-8-12-13-10(14-8)11-9-6-4-2-3-5-7-9/h9H,2-7H2,1H3,(H,11,13)
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	N-cycloheptyl-5-methyl-1,3,4-oxadiazol-2-amine

LJM

LJM
Name:	5-ethyl-N-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carboxamide
Formula:	C13 H13 F N2 O S
SMILES:	n2c(C(NCc1ccc(F)cc1)=O)sc(c2)CC
InChi:	InChI=1S/C13H13FN2OS/c1-2-11-8-16-13(18-11)12(17)15-7-9-3-5-10(14)6-4-9/h3-6,8H,2,7H2,1H3,(H,15,17)
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	5-ethyl-N-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carboxamide

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

EWE

EWE
Name:	[(2~{S})-3-(1~{H}-indol-3-yl)-1-[(2~{E})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene]hydrazinyl]-1-oxidanylidene-propan-2-yl]azanium
Formula:	C19 H23 N5 O6 P
SMILES:	Cc1ncc(CO[P](O)(O)=O)c(C=NNC(=O)[CH]([NH3+])Cc2c[nH]c3ccccc23)c1O
InChi:	InChI=1S/C19H22N5O6P/c1-11-18(25)15(13(8-21-11)10-30-31(27,28)29)9-23-24-19(26)16(20)6-12-7-22-17-5-3-2-4-14(12)17/h2-5,7-9,16,22,25H,6,10,20H2,1H3,(H,24,26)(H2,27,28,29)/p+1/b23-9+/t16-/m0/s1
Definition date:	2018-04-27
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	[(2~{S})-3-(1~{H}-indol-3-yl)-1-[(2~{E})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene]hydrazinyl]-1-oxidanylidene-propan-2-yl]azanium

EX5

EX5
Name:	Jerantinine B
Formula:	C24 H28 N2 O6
SMILES:	CC[C]12CC(=C3Nc4cc(OC)c(OC(C)=O)cc4[C]35CCN(C[CH]6O[CH]16)[CH]25)C(=O)OC
InChi:	InChI=1S/C24H28N2O6/c1-5-23-10-13(21(28)30-4)19-24(6-7-26(22(23)24)11-18-20(23)32-18)14-8-17(31-12(2)27)16(29-3)9-15(14)25-19/h8-9,18,20,22,25H,5-7,10-11H2,1-4H3/t18-,20-,22-,23+,24-/m0/s1
Definition date:	2018-05-01
Last modified:	2019-05-03
Release date:	2019-05-08

FF5

FF5
Name:	~{N}-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]ethanamide
Formula:	C19 H24 N4 O5 S
SMILES:	CC(=O)NCCCCOc1ccc(NC(=O)Nc2ccc(cc2)[S](N)(=O)=O)cc1
InChi:	InChI=1S/C19H24N4O5S/c1-14(24)21-12-2-3-13-28-17-8-4-15(5-9-17)22-19(25)23-16-6-10-18(11-7-16)29(20,26)27/h4-11H,2-3,12-13H2,1H3,(H,21,24)(H2,20,26,27)(H2,22,23,25)
Definition date:	2018-06-27
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	~{N}-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]ethanamide

FFH

FFH
Name:	3-[2-[2-[2-[2-(aminomethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]-~{N}-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]propanamide
Formula:	C29 H45 N5 O10 S
SMILES:	NCOCCOCCOCCOCCOCCC(=O)NCCCCOc1ccc(NC(=O)Nc2ccc(cc2)[S](N)(=O)=O)cc1
InChi:	InChI=1S/C29H45N5O10S/c30-23-43-22-21-42-20-19-41-18-17-40-16-15-39-14-11-28(35)32-12-1-2-13-44-26-7-3-24(4-8-26)33-29(36)34-25-5-9-27(10-6-25)45(31,37)38/h3-10H,1-2,11-23,30H2,(H,32,35)(H2,31,37,38)(H2,33,34,36)
Definition date:	2018-06-27
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	3-[2-[2-[2-[2-(aminomethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]-~{N}-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]propanamide

FFW

FFW
Name:	4-[[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]methyl]-1,2,5-oxadiazol-3-one
Formula:	C20 H16 Cl N3 O4
SMILES:	COc1ccc2n(c(C)c(CC3=NONC3=O)c2c1)C(=O)c4ccc(Cl)cc4
InChi:	InChI=1S/C20H16ClN3O4/c1-11-15(10-17-19(25)23-28-22-17)16-9-14(27-2)7-8-18(16)24(11)20(26)12-3-5-13(21)6-4-12/h3-9H,10H2,1-2H3,(H,23,25)
Definition date:	2018-06-27
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	4-[[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]methyl]-1,2,5-oxadiazol-3-one

M7A

M7A
Name:	7-methyl, adenosine-5'-monophosphate
Formula:	C11 H18 N5 O7 P
SMILES:	CN1CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)c3ncnc(N)c13
InChi:	InChI=1S/C11H18N5O7P/c1-15-4-16(10-6(15)9(12)13-3-14-10)11-8(18)7(17)5(23-11)2-22-24(19,20)21/h3,5,7-8,11,17-18H,2,4H2,1H3,(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1
Definition date:	2017-09-25
Last modified:	2019-05-02
Release date:	2018-01-24
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-7-methyl-8~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

B8T

B8T
Name:	4-methyl, cytidine-5'-monophosphate
Formula:	C10 H16 N3 O8 P
SMILES:	CNC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
InChi:	InChI=1S/C10H16N3O8P/c1-11-6-2-3-13(10(16)12-6)9-8(15)7(14)5(21-9)4-20-22(17,18)19/h2-3,5,7-9,14-15H,4H2,1H3,(H,11,12,16)(H2,17,18,19)/t5-,7-,8-,9-/m1/s1
Definition date:	2017-09-25
Last modified:	2019-05-02
Release date:	2018-01-24
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-[4-(methylamino)-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

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