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C9U

C9U
Name:	4-(1-ethyl-3-pyridin-3-yl-pyrazol-4-yl)-~{N}-(4-piperazin-1-ylphenyl)pyrimidin-2-amine
Formula:	C24 H26 N8
SMILES:	CCn1cc(c2ccnc(Nc3ccc(cc3)N4CCNCC4)n2)c(n1)c5cccnc5
InChi:	InChI=1S/C24H26N8/c1-2-32-17-21(23(30-32)18-4-3-10-26-16-18)22-9-11-27-24(29-22)28-19-5-7-20(8-6-19)31-14-12-25-13-15-31/h3-11,16-17,25H,2,12-15H2,1H3,(H,27,28,29)
Definition date:	2019-04-23
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	4-(1-ethyl-3-pyridin-3-yl-pyrazol-4-yl)-~{N}-(4-piperazin-1-ylphenyl)pyrimidin-2-amine

L2K

L2K
Name:	3-[3,4-bis(fluoranyl)phenyl]-1,4,6,7-tetrahydroimidazo[2,1-c][1,2,4]triazine
Formula:	C11 H10 F2 N4
SMILES:	Fc1ccc(cc1F)C2=NNC3=NCCN3C2
InChi:	InChI=1S/C11H10F2N4/c12-8-2-1-7(5-9(8)13)10-6-17-4-3-14-11(17)16-15-10/h1-2,5H,3-4,6H2,(H,14,16)
Definition date:	2019-07-16
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	3-[3,4-bis(fluoranyl)phenyl]-1,4,6,7-tetrahydroimidazo[2,1-c][1,2,4]triazine

L3Q

L3Q
Name:	(8~{a}~{S})-1,5,6,7,8,8~{a}-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
Formula:	C6 H10 N2 O2
SMILES:	O=C1OC[CH]2CNCCN12
InChi:	InChI=1S/C6H10N2O2/c9-6-8-2-1-7-3-5(8)4-10-6/h5,7H,1-4H2/t5-/m0/s1
Definition date:	2019-07-18
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	(8~{a}~{S})-1,5,6,7,8,8~{a}-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one

EH6

EH6
Name:	2-[(3-chloranyl-2-phenyl-phenyl)amino]benzoic acid
Formula:	C19 H14 Cl N O2
SMILES:	OC(=O)c1ccccc1Nc2cccc(Cl)c2c3ccccc3
InChi:	InChI=1S/C19H14ClNO2/c20-15-10-6-12-17(18(15)13-7-2-1-3-8-13)21-16-11-5-4-9-14(16)19(22)23/h1-12,21H,(H,22,23)
Definition date:	2019-12-24
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	2-[(3-chloranyl-2-phenyl-phenyl)amino]benzoic acid

EHC

EHC
Name:	2-[[3-chloranyl-2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]amino]benzoic acid
Formula:	C21 H16 Cl N O3
SMILES:	OC(=O)c1ccccc1Nc2cccc(Cl)c2c3ccc4OCCc4c3
InChi:	InChI=1S/C21H16ClNO3/c22-16-5-3-7-18(23-17-6-2-1-4-15(17)21(24)25)20(16)14-8-9-19-13(12-14)10-11-26-19/h1-9,12,23H,10-11H2,(H,24,25)
Definition date:	2019-12-24
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	2-[[3-chloranyl-2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]amino]benzoic acid

EHO

EHO
Name:	2-phenylazanylbenzoic acid
Formula:	C13 H11 N O2
SMILES:	OC(=O)c1ccccc1Nc2ccccc2
InChi:	InChI=1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16)
Definition date:	2019-12-24
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	2-phenylazanylbenzoic acid

EHR

EHR
Name:	2-[(2-phenylphenyl)amino]benzoic acid
Formula:	C19 H15 N O2
SMILES:	OC(=O)c1ccccc1Nc2ccccc2c3ccccc3
InChi:	InChI=1S/C19H15NO2/c21-19(22)16-11-5-7-13-18(16)20-17-12-6-4-10-15(17)14-8-2-1-3-9-14/h1-13,20H,(H,21,22)
Definition date:	2019-12-24
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	2-[(2-phenylphenyl)amino]benzoic acid

CZX

CZX
Name:	4-[(1~{S})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole
Formula:	C13 H16 N2
SMILES:	C[CH](c1c[nH]cn1)c2cccc(C)c2C
InChi:	InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1
Definition date:	2019-05-24
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	4-[(1~{S})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole

KFH

KFH
Name:	2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide
Formula:	C6 H3 F4 N O2 S
SMILES:	N[S](=O)(=O)c1c(F)c(F)cc(F)c1F
InChi:	InChI=1S/C6H3F4NO2S/c7-2-1-3(8)5(10)6(4(2)9)14(11,12)13/h1H,(H2,11,12,13)
Definition date:	2019-05-20
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide

M0J

M0J
Name:	N-[(2S)-2-hydroxypropyl]-N'-phenylurea
Formula:	C10 H14 N2 O2
SMILES:	N(C(=O)NCC(O)C)c1ccccc1
InChi:	InChI=1S/C10H14N2O2/c1-8(13)7-11-10(14)12-9-5-3-2-4-6-9/h2-6,8,13H,7H2,1H3,(H2,11,12,14)/t8-/m0/s1
Definition date:	2019-03-15
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	N-[(2S)-2-hydroxypropyl]-N'-phenylurea

M4H

M4H
Name:	5-oxidanyl-4-oxidanylidene-1-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]pyridine-3-carboxylic acid
Formula:	C19 H19 N3 O4
SMILES:	OC(=O)C1=CN(CC2(CCCC2)n3ccc4cccnc34)C=C(O)C1=O
InChi:	InChI=1S/C19H19N3O4/c23-15-11-21(10-14(16(15)24)18(25)26)12-19(6-1-2-7-19)22-9-5-13-4-3-8-20-17(13)22/h3-5,8-11,23H,1-2,6-7,12H2,(H,25,26)
Definition date:	2019-10-03
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	5-oxidanyl-4-oxidanylidene-1-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]pyridine-3-carboxylic acid

JUT

JUT
Name:	4-[3,4-bis(fluoranyl)phenyl]-1,3-thiazol-2-amine
Formula:	C9 H6 F2 N2 S
SMILES:	Nc1scc(n1)c2ccc(F)c(F)c2
InChi:	InChI=1S/C9H6F2N2S/c10-6-2-1-5(3-7(6)11)8-4-14-9(12)13-8/h1-4H,(H2,12,13)
Definition date:	2019-04-02
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	4-[3,4-bis(fluoranyl)phenyl]-1,3-thiazol-2-amine

D60

D60
Name:	2-[3-[2,6-bis(fluoranyl)-4-(1~{H}-pyrazol-4-yl)phenyl]-3-oxidanylidene-propyl]-4-(1-methylpyrazol-4-yl)benzoic acid
Formula:	C23 H18 F2 N4 O3
SMILES:	Cn1cc(cn1)c2ccc(C(O)=O)c(CCC(=O)c3c(F)cc(cc3F)c4c[nH]nc4)c2
InChi:	InChI=1S/C23H18F2N4O3/c1-29-12-17(11-28-29)13-2-4-18(23(31)32)14(6-13)3-5-21(30)22-19(24)7-15(8-20(22)25)16-9-26-27-10-16/h2,4,6-12H,3,5H2,1H3,(H,26,27)(H,31,32)
Definition date:	2019-07-04
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	2-[3-[2,6-bis(fluoranyl)-4-(1~{H}-pyrazol-4-yl)phenyl]-3-oxidanylidene-propyl]-4-(1-methylpyrazol-4-yl)benzoic acid

MU7

MU7
Name:	N-[2-(5,8-dimethoxy-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]-2-iodobenzamide
Formula:	C20 H19 I N2 O4
SMILES:	Ic1ccccc1C(NCCC3=Cc2c(ccc(c2NC3=O)OC)OC)=O
InChi:	InChI=1S/C20H19IN2O4/c1-26-16-7-8-17(27-2)18-14(16)11-12(19(24)23-18)9-10-22-20(25)13-5-3-4-6-15(13)21/h3-8,11H,9-10H2,1-2H3,(H,22,25)(H,23,24)
Definition date:	2019-04-16
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	N-[2-(5,8-dimethoxy-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]-2-iodobenzamide

L7T

L7T
Name:	2,3,4,5,6-pentafluorobenzenesulfonamide
Formula:	C6 H2 F5 N O2 S
SMILES:	N[S](=O)(=O)c1c(F)c(F)c(F)c(F)c1F
InChi:	InChI=1S/C6H2F5NO2S/c7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9/h(H2,12,13,14)
Definition date:	2019-07-26
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	2,3,4,5,6-pentakis(fluoranyl)benzenesulfonamide

K5W

K5W
Name:	2,3-bis(fluoranyl)benzenesulfonamide
Formula:	C6 H5 F2 N O2 S
SMILES:	N[S](=O)(=O)c1cccc(F)c1F
InChi:	InChI=1S/C6H5F2NO2S/c7-4-2-1-3-5(6(4)8)12(9,10)11/h1-3H,(H2,9,10,11)
Definition date:	2019-04-29
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	2,3-bis(fluoranyl)benzenesulfonamide

KB5

KB5
Name:	6-azanyl-9~{H}-purine-8-thiol
Formula:	C5 H5 N5 S
SMILES:	Nc1ncnc2[nH]c(S)nc12
InChi:	InChI=1S/C5H5N5S/c6-3-2-4(8-1-7-3)10-5(11)9-2/h1H,(H4,6,7,8,9,10,11)
Definition date:	2019-05-09
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	6-azanyl-9~{H}-purine-8-thiol

KBB

KBB
Name:	2,5-bis(fluoranyl)benzenesulfonamide
Formula:	C6 H5 F2 N O2 S
SMILES:	N[S](=O)(=O)c1cc(F)ccc1F
InChi:	InChI=1S/C6H5F2NO2S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,(H2,9,10,11)
Definition date:	2019-05-09
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	2,5-bis(fluoranyl)benzenesulfonamide

KBN

KBN
Name:	2-(trifluoromethyl)-9~{H}-purine-6-thiol
Formula:	C6 H3 F3 N4 S
SMILES:	FC(F)(F)c1nc(S)c2nc[nH]c2n1
InChi:	InChI=1S/C6H3F3N4S/c7-6(8,9)5-12-3-2(4(14)13-5)10-1-11-3/h1H,(H2,10,11,12,13,14)
Definition date:	2019-05-10
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	2-(trifluoromethyl)-9~{H}-purine-6-thiol

KBQ

KBQ
Name:	2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
Formula:	C6 H5 N3 O S
SMILES:	O=C1NC(=S)Nc2[nH]ccc12
InChi:	InChI=1S/C6H5N3OS/c10-5-3-1-2-7-4(3)8-6(11)9-5/h1-2H,(H3,7,8,9,10,11)
Definition date:	2019-05-10
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

KBZ

KBZ
Name:	4-cyanobenzenesulfonamide
Formula:	C7 H6 N2 O2 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)C#N
InChi:	InChI=1S/C7H6N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,(H2,9,10,11)
Definition date:	2019-05-10
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	4-cyanobenzenesulfonamide

KD8

KD8
Name:	6,7-dimethyl-2-sulfanylidene-1~{H}-pteridin-4-one
Formula:	C8 H8 N4 O S
SMILES:	Cc1nc2NC(=S)NC(=O)c2nc1C
InChi:	InChI=1S/C8H8N4OS/c1-3-4(2)10-6-5(9-3)7(13)12-8(14)11-6/h1-2H3,(H2,10,11,12,13,14)
Definition date:	2019-05-14
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	6,7-dimethyl-2-sulfanylidene-1~{H}-pteridin-4-one

OS8

OS8
Name:	(4~{R})-~{N}-[3-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)propyl]-4-methyl-2-oxidanylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide
Formula:	C24 H30 N4 O3
SMILES:	COc1ccc2CCCN(CCCNC(=O)c3cccc4NC(=O)C[CH](C)Nc34)c2c1
InChi:	InChI=1S/C24H30N4O3/c1-16-14-22(29)27-20-8-3-7-19(23(20)26-16)24(30)25-11-5-13-28-12-4-6-17-9-10-18(31-2)15-21(17)28/h3,7-10,15-16,26H,4-6,11-14H2,1-2H3,(H,25,30)(H,27,29)/t16-/m1/s1
Definition date:	2020-04-01
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	(4~{R})-~{N}-[3-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)propyl]-4-methyl-2-oxidanylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide

OSN

OSN
Name:	(4~{R})-6-[(~{E})-5-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)pent-1-enyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
Formula:	C25 H31 N3 O2
SMILES:	COc1ccc2CCCN(CCCC=Cc3cccc4NC(=O)C[CH](C)Nc34)c2c1
InChi:	InChI=1S/C25H31N3O2/c1-18-16-24(29)27-22-11-6-9-20(25(22)26-18)8-4-3-5-14-28-15-7-10-19-12-13-21(30-2)17-23(19)28/h4,6,8-9,11-13,17-18,26H,3,5,7,10,14-16H2,1-2H3,(H,27,29)/b8-4+/t18-/m1/s1
Definition date:	2020-04-01
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	(4~{R})-6-[(~{E})-5-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)pent-1-enyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one

OSQ

OSQ
Name:	(3~{R})-~{N}-[3-(3,4-dihydro-2~{H}-quinolin-1-yl)-2,2-bis(fluoranyl)propyl]-3-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-quinoxaline-5-carboxamide
Formula:	C22 H24 F2 N4 O2
SMILES:	C[CH]1Nc2c(NC1=O)cccc2C(=O)NCC(F)(F)CN3CCCc4ccccc34
InChi:	InChI=1S/C22H24F2N4O2/c1-14-20(29)27-17-9-4-8-16(19(17)26-14)21(30)25-12-22(23,24)13-28-11-5-7-15-6-2-3-10-18(15)28/h2-4,6,8-10,14,26H,5,7,11-13H2,1H3,(H,25,30)(H,27,29)/t14-/m1/s1
Definition date:	2020-04-01
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	(3~{R})-~{N}-[3-(3,4-dihydro-2~{H}-quinolin-1-yl)-2,2-bis(fluoranyl)propyl]-3-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-quinoxaline-5-carboxamide

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