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GHK

GHK
Name:	4-[3-(phenylsulfonylamino)prop-1-ynyl]benzenesulfonamide
Formula:	C15 H14 N2 O4 S2
SMILES:	N[S](=O)(=O)c1ccc(cc1)C#CCN[S](=O)(=O)c2ccccc2
InChi:	InChI=1S/C15H14N2O4S2/c16-22(18,19)14-10-8-13(9-11-14)5-4-12-17-23(20,21)15-6-2-1-3-7-15/h1-3,6-11,17H,12H2,(H2,16,18,19)
Definition date:	2018-09-17
Last modified:	2018-12-21
Release date:	2018-12-26
Identifier:	4-[3-(phenylsulfonylamino)prop-1-ynyl]benzenesulfonamide

GHN

GHN
Name:	ethyl 2-[4-[4-[3,3,3-tris(fluoranyl)propylsulfamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate
Formula:	C16 H17 F3 N2 O4 S2
SMILES:	CCOC(=O)Cc1scc(n1)c2ccc(cc2)[S](=O)(=O)NCCC(F)(F)F
InChi:	InChI=1S/C16H17F3N2O4S2/c1-2-25-15(22)9-14-21-13(10-26-14)11-3-5-12(6-4-11)27(23,24)20-8-7-16(17,18)19/h3-6,10,20H,2,7-9H2,1H3
Definition date:	2018-09-17
Last modified:	2018-12-21
Release date:	2018-12-26
Identifier:	ethyl 2-[4-[4-[3,3,3-tris(fluoranyl)propylsulfamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate

GHQ

GHQ
Name:	~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide
Formula:	C10 H10 F3 N O
SMILES:	FC(F)(F)CCNC(=O)c1ccccc1
InChi:	InChI=1S/C10H10F3NO/c11-10(12,13)6-7-14-9(15)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15)
Definition date:	2018-09-17
Last modified:	2018-12-21
Release date:	2018-12-26
Identifier:	~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide

GJ2

GJ2
Name:	4-[3-(phenylsulfonylamino)prop-1-ynyl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide
Formula:	C18 H17 F3 N2 O4 S2
SMILES:	FC(F)(F)CCN[S](=O)(=O)c1ccc(cc1)C#CCN[S](=O)(=O)c2ccccc2
InChi:	InChI=1S/C18H17F3N2O4S2/c19-18(20,21)12-14-23-29(26,27)17-10-8-15(9-11-17)5-4-13-22-28(24,25)16-6-2-1-3-7-16/h1-3,6-11,22-23H,12-14H2
Definition date:	2018-09-17
Last modified:	2018-12-21
Release date:	2018-12-26
Identifier:	4-[3-(phenylsulfonylamino)prop-1-ynyl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide

GJ5

GJ5
Name:	4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide
Formula:	C17 H19 F3 N2 O S
SMILES:	CC(C)Cc1scc(n1)c2ccc(cc2)C(=O)NCCC(F)(F)F
InChi:	InChI=1S/C17H19F3N2OS/c1-11(2)9-15-22-14(10-24-15)12-3-5-13(6-4-12)16(23)21-8-7-17(18,19)20/h3-6,10-11H,7-9H2,1-2H3,(H,21,23)
Definition date:	2018-09-17
Last modified:	2018-12-21
Release date:	2018-12-26
Identifier:	4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide

GJ8

GJ8
Name:	4-[2-(phenylsulfonylaminomethyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide
Formula:	C20 H18 F3 N3 O3 S2
SMILES:	FC(F)(F)CCNC(=O)c1ccc(cc1)c2csc(CN[S](=O)(=O)c3ccccc3)n2
InChi:	InChI=1S/C20H18F3N3O3S2/c21-20(22,23)10-11-24-19(27)15-8-6-14(7-9-15)17-13-30-18(26-17)12-25-31(28,29)16-4-2-1-3-5-16/h1-9,13,25H,10-12H2,(H,24,27)
Definition date:	2018-09-17
Last modified:	2018-12-21
Release date:	2018-12-26
Identifier:	4-[2-(phenylsulfonylaminomethyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide

GJE

GJE
Name:	4-azido-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide
Formula:	C10 H9 F3 N4 O
SMILES:	FC(F)(F)CCNC(=O)c1ccc(cc1)N=[N+]=[N-]
InChi:	InChI=1S/C10H9F3N4O/c11-10(12,13)5-6-15-9(18)7-1-3-8(4-2-7)16-17-14/h1-4H,5-6H2,(H,15,18)
Definition date:	2018-09-17
Last modified:	2018-12-21
Release date:	2018-12-26
Identifier:	4-azido-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide

K3D

K3D
Name:	4-acetyl-N-ethylpiperazine-1-carboxamide
Formula:	C9 H17 N3 O2
SMILES:	N1(CCN(CC1)C(=O)C)C(NCC)=O
InChi:	InChI=1S/C9H17N3O2/c1-3-10-9(14)12-6-4-11(5-7-12)8(2)13/h3-7H2,1-2H3,(H,10,14)
Definition date:	2018-10-25
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	4-acetyl-N-ethylpiperazine-1-carboxamide

K3J

K3J
Name:	N-ethyl-6-methylpyridazin-3-amine
Formula:	C7 H11 N3
SMILES:	n1nc(NCC)ccc1C
InChi:	InChI=1S/C7H11N3/c1-3-8-7-5-4-6(2)9-10-7/h4-5H,3H2,1-2H3,(H,8,10)
Definition date:	2018-10-25
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	N-ethyl-6-methylpyridazin-3-amine

K3M

K3M
Name:	2-fluoro-4-methylbenzamide
Formula:	C8 H8 F N O
SMILES:	c1(C(=O)N)ccc(cc1F)C
InChi:	InChI=1S/C8H8FNO/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H2,10,11)
Definition date:	2018-10-25
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	2-fluoro-4-methylbenzamide

K3P

K3P
Name:	5-chloro-4-[(1-methyl-1H-pyrazol-4-yl)oxy]pyrimidine
Formula:	C8 H7 Cl N4 O
SMILES:	n1c(c(cnc1)Cl)Oc2cnn(C)c2
InChi:	InChI=1S/C8H7ClN4O/c1-13-4-6(2-12-13)14-8-7(9)3-10-5-11-8/h2-5H,1H3
Definition date:	2018-10-25
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	5-chloro-4-[(1-methyl-1H-pyrazol-4-yl)oxy]pyrimidine

K3S

K3S
Name:	N-[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]ethanamine
Formula:	C6 H12 N4
SMILES:	n1(nnc(c1)CNCC)C
InChi:	InChI=1S/C6H12N4/c1-3-7-4-6-5-10(2)9-8-6/h5,7H,3-4H2,1-2H3
Definition date:	2018-10-25
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	N-[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]ethanamine

K3V

K3V
Name:	7,8-dimethoxyphthalazin-1(2H)-one
Formula:	C10 H10 N2 O3
SMILES:	N1N=Cc2c(C1=O)c(c(OC)cc2)OC
InChi:	InChI=1S/C10H10N2O3/c1-14-7-4-3-6-5-11-12-10(13)8(6)9(7)15-2/h3-5H,1-2H3,(H,12,13)
Definition date:	2018-10-25
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	7,8-dimethoxyphthalazin-1(2H)-one

K3Y

K3Y
Name:	1-methyl-3-[(3R)-piperidin-3-yl]-1H-pyrazole-4-carboxamide
Formula:	C10 H16 N4 O
SMILES:	NC(=O)c2c(C1CCCNC1)nn(C)c2
InChi:	InChI=1S/C10H16N4O/c1-14-6-8(10(11)15)9(13-14)7-3-2-4-12-5-7/h6-7,12H,2-5H2,1H3,(H2,11,15)/t7-/m1/s1
Definition date:	2018-10-25
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	1-methyl-3-[(3R)-piperidin-3-yl]-1H-pyrazole-4-carboxamide

K41

K41
Name:	2-methyl-N-(2-methyl-2H-tetrazol-5-yl)propanamide
Formula:	C6 H11 N5 O
SMILES:	n1nn(C)nc1NC(=O)C(C)C
InChi:	InChI=1S/C6H11N5O/c1-4(2)5(12)7-6-8-10-11(3)9-6/h4H,1-3H3,(H,7,9,12)
Definition date:	2018-10-25
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	2-methyl-N-(2-methyl-2H-tetrazol-5-yl)propanamide

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

K5P

K5P
Name:	(3S,4S)-2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
Formula:	C27 H27 N O4
SMILES:	c4c(N3C(c1ccc(cc1)OC)C(c2ccccc2C3=O)C(=O)O)ccc(c4)C(C)(C)C
InChi:	InChI=1S/C27H27NO4/c1-27(2,3)18-11-13-19(14-12-18)28-24(17-9-15-20(32-4)16-10-17)23(26(30)31)21-7-5-6-8-22(21)25(28)29/h5-16,23-24H,1-4H3,(H,30,31)/t23-,24+/m0/s1
Definition date:	2018-10-31
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	(3S,4S)-2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid

K5S

K5S
Name:	[(3S,4S)-2-(4-tert-butyl-3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-fluoro-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl]acetic acid
Formula:	C29 H27 Cl F N O5
SMILES:	Fc1ccc5c(c1)C(=O)N(c2cc(Cl)c(C(C)(C)C)cc2)C(c4cc3OCCOc3cc4)C5CC(O)=O
InChi:	InChI=1S/C29H27ClFNO5/c1-29(2,3)22-8-6-18(14-23(22)30)32-27(16-4-9-24-25(12-16)37-11-10-36-24)20(15-26(33)34)19-7-5-17(31)13-21(19)28(32)35/h4-9,12-14,20,27H,10-11,15H2,1-3H3,(H,33,34)/t20-,27+/m0/s1
Definition date:	2018-10-31
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	[(3S,4S)-2-(4-tert-butyl-3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-fluoro-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl]acetic acid

H28

H28
Name:	(3~{S},3'~{R},3'~{a}~{S},6'~{a}~{R})-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-(cyclopropylmethyl)spiro[1~{H}-indole-3,2'-3~{a},6~{a}-dihydro-3~{H}-pyrrolo[3,4-b]pyrrole]-2,4'-dione
Formula:	C23 H18 Cl2 F N3 O2
SMILES:	Fc1c(Cl)cccc1[CH]2[CH]3[CH](C=NC3=O)N(CC4CC4)[C]25C(=O)Nc6cc(Cl)ccc56
InChi:	InChI=1S/C23H18Cl2FN3O2/c24-12-6-7-14-16(8-12)28-22(31)23(14)19(13-2-1-3-15(25)20(13)26)18-17(9-27-21(18)30)29(23)10-11-4-5-11/h1-3,6-9,11,17-19H,4-5,10H2,(H,28,31)/t17-,18+,19-,23+/m0/s1
Definition date:	2018-11-07
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	(3~{S},3'~{R},3'~{a}~{S},6'~{a}~{R})-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-(cyclopropylmethyl)spiro[1~{H}-indole-3,2'-3~{a},6~{a}-dihydro-3~{H}-pyrrolo[3,4-b]pyrrole]-2,4'-dione

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

K0J

K0J
Name:	N-ethyl-1H-1,2,3-triazole-4-carboxamide
Formula:	C5 H8 N4 O
SMILES:	n1nnc(c1)C(NCC)=O
InChi:	InChI=1S/C5H8N4O/c1-2-6-5(10)4-3-7-9-8-4/h3H,2H2,1H3,(H,6,10)(H,7,8,9)
Definition date:	2018-10-25
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	N-ethyl-1H-1,2,3-triazole-4-carboxamide

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