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D9S

D9S
Name:	2-{(3R,4S)-3-[(5-{[benzyl(methyl)amino]methyl}-1,2-oxazol-3-yl)methyl]piperidin-4-yl}-N-(1,3-thiazol-2-yl)acetamide
Formula:	C23 H29 N5 O2 S
SMILES:	c1cc(ccc1)CN(Cc2cc(no2)CC3CNCCC3CC(Nc4nccs4)=O)C
InChi:	InChI=1S/C23H29N5O2S/c1-28(15-17-5-3-2-4-6-17)16-21-13-20(27-30-21)11-19-14-24-8-7-18(19)12-22(29)26-23-25-9-10-31-23/h2-6,9-10,13,18-19,24H,7-8,11-12,14-16H2,1H3,(H,25,26,29)/t18-,19-/m0/s1
Definition date:	2017-10-23
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	2-{(3R,4S)-3-[(5-{[benzyl(methyl)amino]methyl}-1,2-oxazol-3-yl)methyl]piperidin-4-yl}-N-(1,3-thiazol-2-yl)acetamide

D9V

D9V
Name:	(1S,2S,3S,4R,5R)-2-[(furan-2-ylmethyl)amino]-4-(piperidin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol
Formula:	C16 H24 N2 O4
SMILES:	OC3C(NCc1occc1)C4COC(C3N2CCCCC2)O4
InChi:	InChI=1S/C16H24N2O4/c19-15-13(17-9-11-5-4-8-20-11)12-10-21-16(22-12)14(15)18-6-2-1-3-7-18/h4-5,8,12-17,19H,1-3,6-7,9-10H2/t12-,13-,14-,15+,16-/m1/s1
Definition date:	2017-10-23
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	(1S,2S,3S,4R,5R)-2-[(furan-2-ylmethyl)amino]-4-(piperidin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol (non-preferred name)

D9Y

D9Y
Name:	1-cyclohexyl-3-[(1S,2S,3S,4R,5R)-3-hydroxy-4-(piperidin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-2-yl]urea
Formula:	C18 H31 N3 O4
SMILES:	OC3C(NC(=O)NC1CCCCC1)C4COC(C3N2CCCCC2)O4
InChi:	InChI=1S/C18H31N3O4/c22-16-14(20-18(23)19-12-7-3-1-4-8-12)13-11-24-17(25-13)15(16)21-9-5-2-6-10-21/h12-17,22H,1-11H2,(H2,19,20,23)/t13-,14-,15-,16+,17-/m1/s1
Definition date:	2017-10-23
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	1-cyclohexyl-3-[(1S,2S,3S,4R,5R)-3-hydroxy-4-(piperidin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-2-yl]urea (non-preferred name)

DC7

DC7
Name:	4-[2-({methyl[(pyridin-3-yl)methyl]amino}methyl)-1,3-thiazol-4-yl]piperidin-4-ol
Formula:	C16 H22 N4 O S
SMILES:	c1cc(cnc1)CN(Cc3nc(C2(O)CCNCC2)cs3)C
InChi:	InChI=1S/C16H22N4OS/c1-20(10-13-3-2-6-18-9-13)11-15-19-14(12-22-15)16(21)4-7-17-8-5-16/h2-3,6,9,12,17,21H,4-5,7-8,10-11H2,1H3
Definition date:	2017-10-23
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	4-[2-({methyl[(pyridin-3-yl)methyl]amino}methyl)-1,3-thiazol-4-yl]piperidin-4-ol

DD4

DD4
Name:	(3R,5R)-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
Formula:	C13 H14 F N3 O2
SMILES:	c1(cc(F)c(C)cc1)c2noc(n2)C3NCC(C3)O
InChi:	InChI=1S/C13H14FN3O2/c1-7-2-3-8(4-10(7)14)12-16-13(19-17-12)11-5-9(18)6-15-11/h2-4,9,11,15,18H,5-6H2,1H3/t9-,11-/m1/s1
Definition date:	2017-10-23
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	(3R,5R)-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol

DD7

DD7
Name:	(1S,2S,3S,4R,5R)-2-(benzylamino)-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol
Formula:	C19 H21 N O3 S
SMILES:	c1ccccc1CNC3C2OC(OC2)C(C3O)Sc4ccccc4
InChi:	InChI=1S/C19H21NO3S/c21-17-16(20-11-13-7-3-1-4-8-13)15-12-22-19(23-15)18(17)24-14-9-5-2-6-10-14/h1-10,15-21H,11-12H2/t15-,16-,17+,18-,19-/m1/s1
Definition date:	2017-10-23
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	(1S,2S,3S,4R,5R)-2-(benzylamino)-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol (non-preferred name)

DDV

DDV
Name:	(1S,2S,3S,4R,5R)-2-[(cyclopropylmethyl)amino]-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol
Formula:	C16 H21 N O3 S
SMILES:	c1ccccc1SC2C4OC(C(C2O)NCC3CC3)CO4
InChi:	InChI=1S/C16H21NO3S/c18-14-13(17-8-10-6-7-10)12-9-19-16(20-12)15(14)21-11-4-2-1-3-5-11/h1-5,10,12-18H,6-9H2/t12-,13-,14+,15-,16-/m1/s1
Definition date:	2017-10-23
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	(1S,2S,3S,4R,5R)-2-[(cyclopropylmethyl)amino]-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol (non-preferred name)

G2Y

G2Y
Name:	1,6-dichloro-1,6-dideoxy-alpha-L-sorbofuranosyl 4-chloro-4-deoxy-beta-D-galactopyranoside
Formula:	C12 H19 Cl3 O8
SMILES:	C2(C(C(O)C(OC1(OC(C(O)C1O)CCl)CCl)OC2CO)O)Cl
InChi:	InChI=1S/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2/t4-,5+,6-,7+,8-,9+,10-,11-,12-/m0/s1
Definition date:	2018-05-03
Last modified:	2020-04-16
Release date:	2018-08-08
Identifier:	1,6-dichloro-1,6-dideoxy-alpha-L-sorbofuranosyl 4-chloro-4-deoxy-beta-D-galactopyranoside

EDJ

EDJ
Name:	2-({5-bromo-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}oxy)-N-methylbenzene-1-carboximidic acid
Formula:	C21 H21 Br N4 O5
SMILES:	c1(c(Br)cnc(n1)Nc2cc(OC)c(OC)c(OC)c2)Oc3ccccc3/C(O)=N/C
InChi:	InChI=1S/C21H21BrN4O5/c1-23-19(27)13-7-5-6-8-15(13)31-20-14(22)11-24-21(26-20)25-12-9-16(28-2)18(30-4)17(10-12)29-3/h5-11H,1-4H3,(H,23,27)(H,24,25,26)
Definition date:	2018-01-02
Last modified:	2020-04-13
Release date:	2018-05-09
Identifier:	2-({5-bromo-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}oxy)-N-methylbenzene-1-carboximidic acid

5KU

5KU
Name:	(6R)-5-(acetylamino)-2,6-anhydro-3,4,5-trideoxy-4-[(diaminomethylidene)amino]-6-[(11R,12S)-12,13-dihydroxy-9-oxo-2,5,10-trioxa-8-azatridecan-11-yl]-D-threo-hex-2-enonic acid
Formula:	C18 H31 N5 O10
SMILES:	COCCOCCNC(=O)OC(C1C(C(N=C(N)N)C=C(O1)C(O)=O)NC(=O)C)C(CO)O
InChi:	InChI=1S/C18H31N5O10/c1-9(25)22-13-10(23-17(19)20)7-12(16(27)28)32-15(13)14(11(26)8-24)33-18(29)21-3-4-31-6-5-30-2/h7,10-11,13-15,24,26H,3-6,8H2,1-2H3,(H,21,29)(H,22,25)(H,27,28)(H4,19,20,23)/t10-,11+,13+,14-,15-/m1/s1
Definition date:	2015-10-15
Last modified:	2020-04-12
Release date:	2016-03-02
Identifier:	(6R)-5-(acetylamino)-2,6-anhydro-3,4,5-trideoxy-4-[(diaminomethylidene)amino]-6-[(11R,12S)-12,13-dihydroxy-9-oxo-2,5,10-trioxa-8-azatridecan-11-yl]-D-threo-hex-2-enonic acid

U1V

U1V
Name:	1-(4-fluoro-2-methylphenyl)methanesulfonamide
Formula:	C8 H10 F N O2 S
SMILES:	c1cc(CS(N)(=O)=O)c(C)cc1F
InChi:	InChI=1S/C8H10FNO2S/c1-6-4-8(9)3-2-7(6)5-13(10,11)12/h2-4H,5H2,1H3,(H2,10,11,12)
Definition date:	2020-04-08
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	1-(4-fluoro-2-methylphenyl)methanesulfonamide

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

T9J

T9J
Name:	Nalpha-acetyl-N-(3-bromoprop-2-yn-1-yl)-L-tyrosinamide
Formula:	C14 H15 Br N2 O3
SMILES:	N(C(Cc1ccc(cc1)O)C(=O)NCC#CBr)C(C)=O
InChi:	InChI=1S/C14H15BrN2O3/c1-10(18)17-13(14(20)16-8-2-7-15)9-11-3-5-12(19)6-4-11/h3-6,13,19H,8-9H2,1H3,(H,16,20)(H,17,18)/t13-/m0/s1
Definition date:	2020-03-18
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	Nalpha-acetyl-N-(3-bromoprop-2-yn-1-yl)-L-tyrosinamide

SXG

SXG
Name:	2,3,4,5,6-pentafluoro-N-(2,3,5,6-tetrafluoro-4-sulfamoylphenyl)benzenesulfonamide
Formula:	C12 H3 F9 N2 O4 S2
SMILES:	N[S](=O)(=O)c1c(F)c(F)c(N[S](=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChi:	InChI=1S/C12H3F9N2O4S2/c13-1-2(14)6(18)12(7(19)3(1)15)29(26,27)23-10-4(16)8(20)11(28(22,24)25)9(21)5(10)17/h23H,(H2,22,24,25)
Definition date:	2019-07-26
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	2,3,5,6-tetrakis(fluoranyl)-4-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]sulfonylamino]benzenesulfonamide

S6V

S6V
Name:	1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-phenyl-urea
Formula:	C13 H17 N3 O2
SMILES:	O=C(NCCN1CCCC1=O)Nc2ccccc2
InChi:	InChI=1S/C13H17N3O2/c17-12-7-4-9-16(12)10-8-14-13(18)15-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H2,14,15,18)
Definition date:	2020-03-04
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-phenyl-urea

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

U0M

U0M
Name:	5-fluoro-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,3,6-tetrahydropyridine
Formula:	C9 H12 F N3 S
SMILES:	C=1CCN(CC=1F)Cc2nnc(C)s2
InChi:	InChI=1S/C9H12FN3S/c1-7-11-12-9(14-7)6-13-4-2-3-8(10)5-13/h3H,2,4-6H2,1H3
Definition date:	2020-04-08
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	5-fluoro-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,3,6-tetrahydropyridine

U0P

U0P
Name:	N'-cyclopropyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
Formula:	C10 H15 N3 O2
SMILES:	C(N(C)Cc1noc(c1)C)(NC2CC2)=O
InChi:	InChI=1S/C10H15N3O2/c1-7-5-9(12-15-7)6-13(2)10(14)11-8-3-4-8/h5,8H,3-4,6H2,1-2H3,(H,11,14)
Definition date:	2020-04-08
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	N'-cyclopropyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]urea

U0S

U0S
Name:	(5S)-7-(pyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane
Formula:	C11 H15 N3 O
SMILES:	C3CC2(CN(c1nccnc1)CC2)CO3
InChi:	InChI=1S/C11H15N3O/c1-5-14(10-7-12-3-4-13-10)8-11(1)2-6-15-9-11/h3-4,7H,1-2,5-6,8-9H2/t11-/m0/s1
Definition date:	2020-04-08
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	(5S)-7-(pyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane

U0V

U0V
Name:	2-fluoro-N-[2-(pyridin-4-yl)ethyl]benzamide
Formula:	C14 H13 F N2 O
SMILES:	c2(CCNC(c1c(F)cccc1)=O)ccncc2
InChi:	InChI=1S/C14H13FN2O/c15-13-4-2-1-3-12(13)14(18)17-10-7-11-5-8-16-9-6-11/h1-6,8-9H,7,10H2,(H,17,18)
Definition date:	2020-04-08
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	2-fluoro-N-[2-(pyridin-4-yl)ethyl]benzamide

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

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