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LDJ

LDJ
Name:	2-methyl-N-{5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2(3H)-ylidene}propanamide
Formula:	C10 H15 N3 O2 S
SMILES:	N(/C(C(C)C)=O)=C2NN=C(C1OCCC1)S2
InChi:	InChI=1S/C10H15N3O2S/c1-6(2)8(14)11-10-13-12-9(16-10)7-4-3-5-15-7/h6-7H,3-5H2,1-2H3,(H,11,13,14)/t7-/m0/s1
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	2-methyl-N-{5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2(3H)-ylidene}propanamide

LDV

LDV
Name:	3-[(4-methylpiperidin-1-yl)methyl]-1H-indole
Formula:	C15 H20 N2
SMILES:	N1(CCC(CC1)C)Cc3c2c(cccc2)nc3
InChi:	InChI=1S/C15H20N2/c1-12-6-8-17(9-7-12)11-13-10-16-15-5-3-2-4-14(13)15/h2-5,10,12,16H,6-9,11H2,1H3
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	3-[(4-methylpiperidin-1-yl)methyl]-1H-indole

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

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

M3D

M3D
Name:	7-(3-cyano-4-hydroxyphenyl)-N-[2-(morpholin-4-yl)ethyl]dibenzo[b,f]oxepine-10-carboxamide
Formula:	C28 H25 N3 O4
SMILES:	C2=C(C(=O)NCCN1CCOCC1)c4ccc(cc4Oc3c2cccc3)c5ccc(O)c(C#N)c5
InChi:	InChI=1S/C28H25N3O4/c29-18-22-15-19(6-8-25(22)32)20-5-7-23-24(28(33)30-9-10-31-11-13-34-14-12-31)16-21-3-1-2-4-26(21)35-27(23)17-20/h1-8,15-17,32H,9-14H2,(H,30,33)
Definition date:	2019-03-20
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	7-(3-cyano-4-hydroxyphenyl)-N-[2-(morpholin-4-yl)ethyl]dibenzo[b,f]oxepine-10-carboxamide

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

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

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

E3C

E3C
Name:	3-ethyl, cytidine-5'-monophosphate
Formula:	C11 H20 N3 O8 P
SMILES:	CCN1[CH](N)C=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C1=O
InChi:	InChI=1S/C11H20N3O8P/c1-2-13-7(12)3-4-14(11(13)17)10-9(16)8(15)6(22-10)5-21-23(18,19)20/h3-4,6-10,15-16H,2,5,12H2,1H3,(H2,18,19,20)/t6-,7?,8-,9-,10-/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-azanyl-3-ethyl-2-oxidanylidene-4~{H}-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

I4U

I4U
Name:	4-isopropyl, uridine-5'-monophosphate
Formula:	C12 H19 N2 O9 P
SMILES:	CC(C)OC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
InChi:	InChI=1S/C12H19N2O9P/c1-6(2)22-8-3-4-14(12(17)13-8)11-10(16)9(15)7(23-11)5-21-24(18,19)20/h3-4,6-7,9-11,15-16H,5H2,1-2H3,(H2,18,19,20)/t7-,9-,10-,11-/m1/s1
Definition date:	2017-09-25
Last modified:	2019-04-29
Release date:	2018-01-24
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(2-oxidanylidene-4-propan-2-yloxy-pyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate

47C

47C
Name:	2'-DEOXY-N-(PROP-2-EN-1-YLOXY)CYTIDINE 5'-(DIHYDROGEN PHOSPHATE)
Formula:	C12 H18 N3 O8 P
SMILES:	O=C1N=C(NOC/C=C)C=CN1C2OC(C(O)C2)COP(=O)(O)O
InChi:	InChI=1S/C12H18N3O8P/c1-2-5-21-14-10-3-4-15(12(17)13-10)11-6-8(16)9(23-11)7-22-24(18,19)20/h2-4,8-9,11,16H,1,5-7H2,(H,13,14,17)(H2,18,19,20)/t8-,9+,11+/m0/s1
Definition date:	2010-08-10
Last modified:	2019-04-29
Identifier:	2'-deoxy-N-(prop-2-en-1-yloxy)cytidine 5'-(dihydrogen phosphate)

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