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GQS

GQS
Name:	N-(3-fluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine
Formula:	C9 H8 F N3 S
SMILES:	n2nc(Nc1cccc(c1)F)sc2C
InChi:	InChI=1S/C9H8FN3S/c1-6-12-13-9(14-6)11-8-4-2-3-7(10)5-8/h2-5H,1H3,(H,11,13)
Definition date:	2018-05-31
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	N-(3-fluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine

F97

F97
Name:	N-{2-(3,3-difluoropyrrolidin-1-yl)-6-[(3R)-pyrrolidin-3-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-pyrazolo[4,3-c]pyridin-6-amine
Formula:	C21 H26 F2 N8
SMILES:	c21cc(ncc1cnn2C(C)C)Nc4cc(nc(N3CCC(C3)(F)F)n4)C5CCNC5
InChi:	InChI=1S/C21H26F2N8/c1-13(2)31-17-8-18(25-10-15(17)11-26-31)28-19-7-16(14-3-5-24-9-14)27-20(29-19)30-6-4-21(22,23)12-30/h7-8,10-11,13-14,24H,3-6,9,12H2,1-2H3,(H,25,27,28,29)/t14-/m1/s1
Definition date:	2018-03-16
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	N-{2-(3,3-difluoropyrrolidin-1-yl)-6-[(3R)-pyrrolidin-3-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-pyrazolo[4,3-c]pyridin-6-amine

FKE

FKE
Name:	4-(4-phenylpiperidin-1-yl)carbonylbenzenesulfonamide
Formula:	C18 H20 N2 O3 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCC(CC2)c3ccccc3
InChi:	InChI=1S/C18H20N2O3S/c19-24(22,23)17-8-6-16(7-9-17)18(21)20-12-10-15(11-13-20)14-4-2-1-3-5-14/h1-9,15H,10-13H2,(H2,19,22,23)
Definition date:	2018-07-17
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	4-(4-phenylpiperidin-1-yl)carbonylbenzenesulfonamide

FKK

FKK
Name:	4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide
Formula:	C18 H20 F N3 O3 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN(CC2)Cc3ccc(F)cc3
InChi:	InChI=1S/C18H20FN3O3S/c19-16-5-1-14(2-6-16)13-21-9-11-22(12-10-21)18(23)15-3-7-17(8-4-15)26(20,24)25/h1-8H,9-13H2,(H2,20,24,25)
Definition date:	2018-07-17
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide

FKQ

FKQ
Name:	4-(4-oxidanyl-4-phenyl-piperidin-1-yl)carbonylbenzenesulfonamide
Formula:	C18 H20 N2 O4 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCC(O)(CC2)c3ccccc3
InChi:	InChI=1S/C18H20N2O4S/c19-25(23,24)16-8-6-14(7-9-16)17(21)20-12-10-18(22,11-13-20)15-4-2-1-3-5-15/h1-9,22H,10-13H2,(H2,19,23,24)
Definition date:	2018-07-18
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	4-(4-oxidanyl-4-phenyl-piperidin-1-yl)carbonylbenzenesulfonamide

E2N

E2N
Name:	1-methyl-3-oxidanyl-5-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-4-carboxylic acid
Formula:	C13 H11 F3 N2 O4
SMILES:	Cn1nc(O)c(C(O)=O)c1COc2cccc(c2)C(F)(F)F
InChi:	InChI=1S/C13H11F3N2O4/c1-18-9(10(12(20)21)11(19)17-18)6-22-8-4-2-3-7(5-8)13(14,15)16/h2-5H,6H2,1H3,(H,17,19)(H,20,21)
Definition date:	2018-02-14
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	1-methyl-3-oxidanyl-5-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-4-carboxylic acid

EAU

EAU
Name:	3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(furan-2-yl)pyrazine-2-carboxamide
Formula:	C16 H21 N7 O2
SMILES:	NC(=N)NC(=O)c1nc(c2occc2)c(nc1N)N3CCCCCC3
InChi:	InChI=1S/C16H21N7O2/c17-13-12(15(24)22-16(18)19)20-11(10-6-5-9-25-10)14(21-13)23-7-3-1-2-4-8-23/h5-6,9H,1-4,7-8H2,(H2,17,21)(H4,18,19,22,24)
Definition date:	2018-02-15
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	3-azanyl-5-(azepan-1-yl)-~{N}-carbamimidoyl-6-(furan-2-yl)pyrazine-2-carboxamide

JRA

JRA
Name:	3-[2-[(~{Z})-[5-[(~{Z})-[(3~{S},4~{R})-3-ethenyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{Z})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid
Formula:	C33 H36 N4 O6
SMILES:	C[CH]1[CH](C=C)C(NC1=O)=CC2=NC(=Cc3[nH]c(C=C4NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)C(=C2C)CCC(O)=O
InChi:	InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,19-20,34H,1-2,9-12H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,29-15-/t19-,20+/m1/s1
Definition date:	2018-09-18
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	3-[2-[(~{Z})-[5-[(~{Z})-[(3~{S},4~{R})-3-ethenyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{Z})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid

K04

K04
Name:	(2S,3S)-3-methyl-N-(1,2,3-thiadiazol-5-yl)tetrahydrofuran-2-carboxamide (non-preferred name)
Formula:	C8 H11 N3 O2 S
SMILES:	n2cc(NC(C1OCCC1C)=O)sn2
InChi:	InChI=1S/C8H11N3O2S/c1-5-2-3-13-7(5)8(12)10-6-4-9-11-14-6/h4-5,7H,2-3H2,1H3,(H,10,12)/t5-,7-/m0/s1
Definition date:	2018-10-25
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	(2S,3S)-3-methyl-N-(1,2,3-thiadiazol-5-yl)tetrahydrofuran-2-carboxamide (non-preferred name)

K07

K07
Name:	5-chloro-N-methyl-N-{[(3R)-oxolan-3-yl]methyl}pyrimidin-4-amine
Formula:	C10 H14 Cl N3 O
SMILES:	n2c(N(CC1COCC1)C)c(cnc2)Cl
InChi:	InChI=1S/C10H14ClN3O/c1-14(5-8-2-3-15-6-8)10-9(11)4-12-7-13-10/h4,7-8H,2-3,5-6H2,1H3/t8-/m1/s1
Definition date:	2018-10-25
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	5-chloro-N-methyl-N-{[(3R)-oxolan-3-yl]methyl}pyrimidin-4-amine

K0A

K0A
Name:	(2,5-dimethyl-1,3-thiazol-4-yl)(pyrrolidin-1-yl)methanone
Formula:	C10 H14 N2 O S
SMILES:	N1(CCCC1)C(=O)c2c(sc(n2)C)C
InChi:	InChI=1S/C10H14N2OS/c1-7-9(11-8(2)14-7)10(13)12-5-3-4-6-12/h3-6H2,1-2H3
Definition date:	2018-10-25
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	(2,5-dimethyl-1,3-thiazol-4-yl)(pyrrolidin-1-yl)methanone

K0D

K0D
Name:	[(2R,5S)-2,5-dimethylmorpholin-4-yl](1,2,5-thiadiazol-3-yl)methanone
Formula:	C9 H13 N3 O2 S
SMILES:	n2cc(C(N1C(C)COC(C)C1)=O)ns2
InChi:	InChI=1S/C9H13N3O2S/c1-6-5-14-7(2)4-12(6)9(13)8-3-10-15-11-8/h3,6-7H,4-5H2,1-2H3/t6-,7+/m0/s1
Definition date:	2018-10-25
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	[(2R,5S)-2,5-dimethylmorpholin-4-yl](1,2,5-thiadiazol-3-yl)methanone

K0G

K0G
Name:	N-phenyl-N'-pyridin-3-ylurea
Formula:	C12 H11 N3 O
SMILES:	N(c1cccnc1)C(Nc2ccccc2)=O
InChi:	InChI=1S/C12H11N3O/c16-12(14-10-5-2-1-3-6-10)15-11-7-4-8-13-9-11/h1-9H,(H2,14,15,16)
Definition date:	2018-10-25
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	N-phenyl-N'-pyridin-3-ylurea

K0M

K0M
Name:	3-methyl-N-(1-methyl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide
Formula:	C9 H10 N4 O2
SMILES:	N(c1nn(cc1)C)C(c2onc(C)c2)=O
InChi:	InChI=1S/C9H10N4O2/c1-6-5-7(15-12-6)9(14)10-8-3-4-13(2)11-8/h3-5H,1-2H3,(H,10,11,14)
Definition date:	2018-10-25
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	3-methyl-N-(1-methyl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide

K0P

K0P
Name:	N-[(1-ethyl-1H-pyrazol-4-yl)methyl]pyridine-3-carboxamide
Formula:	C12 H14 N4 O
SMILES:	N(Cc1cnn(c1)CC)C(c2cnccc2)=O
InChi:	InChI=1S/C12H14N4O/c1-2-16-9-10(7-15-16)6-14-12(17)11-4-3-5-13-8-11/h3-5,7-9H,2,6H2,1H3,(H,14,17)
Definition date:	2018-10-25
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	N-[(1-ethyl-1H-pyrazol-4-yl)methyl]pyridine-3-carboxamide

K0S

K0S
Name:	N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
Formula:	C11 H12 N4 O S
SMILES:	n1nc(CCC)sc1NC(c2ncccc2)=O
InChi:	InChI=1S/C11H12N4OS/c1-2-5-9-14-15-11(17-9)13-10(16)8-6-3-4-7-12-8/h3-4,6-7H,2,5H2,1H3,(H,13,15,16)
Definition date:	2018-10-25
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide

K0V

K0V
Name:	methyl 1-(tert-butylcarbamoyl)piperidine-4-carboxylate
Formula:	C12 H22 N2 O3
SMILES:	N(C(C)(C)C)C(=O)N1CCC(CC1)C(OC)=O
InChi:	InChI=1S/C12H22N2O3/c1-12(2,3)13-11(16)14-7-5-9(6-8-14)10(15)17-4/h9H,5-8H2,1-4H3,(H,13,16)
Definition date:	2018-10-25
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	methyl 1-(tert-butylcarbamoyl)piperidine-4-carboxylate

K0Y

K0Y
Name:	methyl N-(5-methyl-1,2-oxazole-3-carbonyl)glycinate
Formula:	C8 H10 N2 O4
SMILES:	n1c(C(NCC(OC)=O)=O)cc(C)o1
InChi:	InChI=1S/C8H10N2O4/c1-5-3-6(10-14-5)8(12)9-4-7(11)13-2/h3H,4H2,1-2H3,(H,9,12)
Definition date:	2018-10-25
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	methyl N-(5-methyl-1,2-oxazole-3-carbonyl)glycinate

K1A

K1A
Name:	3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2(3H)-one
Formula:	C9 H11 N3 O2 S
SMILES:	N1(C(SC(=N1)C)=O)Cc2c(C)noc2C
InChi:	InChI=1S/C9H11N3O2S/c1-5-8(6(2)14-11-5)4-12-9(13)15-7(3)10-12/h4H2,1-3H3
Definition date:	2018-10-25
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2(3H)-one

K1G

K1G
Name:	N,1-dimethyl-N-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Formula:	C10 H15 N5
SMILES:	n1cnc2n(C)ncc2c1N(C)C(C)C
InChi:	InChI=1S/C10H15N5/c1-7(2)14(3)9-8-5-13-15(4)10(8)12-6-11-9/h5-7H,1-4H3
Definition date:	2018-10-25
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	N,1-dimethyl-N-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

K1J

K1J
Name:	(2S,3R)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
Formula:	C9 H15 N3 O S
SMILES:	n1c(snc1C)N2C(C)C(C)OCC2
InChi:	InChI=1S/C9H15N3OS/c1-6-7(2)13-5-4-12(6)9-10-8(3)11-14-9/h6-7H,4-5H2,1-3H3/t6-,7+/m1/s1
Definition date:	2018-10-25
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	(2S,3R)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine

K1S

K1S
Name:	N,N-diethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Formula:	C10 H15 N5
SMILES:	n1c(cc(n2ncnc12)N(CC)CC)C
InChi:	InChI=1S/C10H15N5/c1-4-14(5-2)9-6-8(3)13-10-11-7-12-15(9)10/h6-7H,4-5H2,1-3H3
Definition date:	2018-10-25
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	N,N-diethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

K1Y

K1Y
Name:	methyl (2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate
Formula:	C12 H12 N2 O2 S
SMILES:	n1c(C)sc(c1c2ccccc2)NC(OC)=O
InChi:	InChI=1S/C12H12N2O2S/c1-8-13-10(9-6-4-3-5-7-9)11(17-8)14-12(15)16-2/h3-7H,1-2H3,(H,14,15)
Definition date:	2018-10-25
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	methyl (2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate

K2M

K2M
Name:	4-(furan-2-carbonyl)piperazine-1-carboxamide
Formula:	C10 H13 N3 O3
SMILES:	N2(CCN(C(=O)c1occc1)CC2)C(N)=O
InChi:	InChI=1S/C10H13N3O3/c11-10(15)13-5-3-12(4-6-13)9(14)8-2-1-7-16-8/h1-2,7H,3-6H2,(H2,11,15)
Definition date:	2018-10-25
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	4-(furan-2-carbonyl)piperazine-1-carboxamide

K2P

K2P
Name:	2-(trifluoromethoxy)benzoic acid
Formula:	C8 H5 F3 O3
SMILES:	c1ccc(c(c1)OC(F)(F)F)C(O)=O
InChi:	InChI=1S/C8H5F3O3/c9-8(10,11)14-6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)
Definition date:	2018-10-25
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	2-(trifluoromethoxy)benzoic acid

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