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8QC

8QC
Name:	5-bromanyl-2-methoxy-N-[3-methyl-6-(methylamino)-1,2-benzoxazol-5-yl]benzenesulfonamide
Formula:	C16 H16 Br N3 O4 S
SMILES:	CNc1cc2onc(C)c2cc1N[S](=O)(=O)c3cc(Br)ccc3OC
InChi:	InChI=1S/C16H16BrN3O4S/c1-9-11-7-13(12(18-2)8-15(11)24-19-9)20-25(21,22)16-6-10(17)4-5-14(16)23-3/h4-8,18,20H,1-3H3
Definition date:	2017-08-24
Last modified:	2018-06-08
Release date:	2018-06-13
Identifier:	5-bromanyl-2-methoxy-~{N}-[3-methyl-6-(methylamino)-1,2-benzoxazol-5-yl]benzenesulfonamide

BZW

BZW
Name:	4-[(3~{S})-4-ethanoyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
Formula:	C20 H23 N3 O4 S
SMILES:	CC(=O)N1CCN(C[CH]1Cc2ccccc2)C(=O)c3ccc(cc3)[S](N)(=O)=O
InChi:	InChI=1S/C20H23N3O4S/c1-15(24)23-12-11-22(14-18(23)13-16-5-3-2-4-6-16)20(25)17-7-9-19(10-8-17)28(21,26)27/h2-10,18H,11-14H2,1H3,(H2,21,26,27)/t18-/m0/s1
Definition date:	2017-11-02
Last modified:	2018-06-01
Release date:	2018-06-06
Identifier:	4-[(3~{S})-4-ethanoyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide

BA8

BA8
Name:	4-[2-(2-chlorophenyl)pyrazol-3-yl]-6-(2-pyridin-2-ylethyl)benzene-1,3-diol
Formula:	C22 H18 Cl N3 O2
SMILES:	Oc1cc(O)c(cc1CCc2ccccn2)c3ccnn3c4ccccc4Cl
InChi:	InChI=1S/C22H18ClN3O2/c23-18-6-1-2-7-20(18)26-19(10-12-25-26)17-13-15(21(27)14-22(17)28)8-9-16-5-3-4-11-24-16/h1-7,10-14,27-28H,8-9H2
Definition date:	2017-09-29
Last modified:	2018-05-25
Release date:	2018-05-30
Identifier:	4-[2-(2-chlorophenyl)pyrazol-3-yl]-6-(2-pyridin-2-ylethyl)benzene-1,3-diol

BAW

BAW
Name:	4-ethyl-6-[4-(2-fluorophenyl)-3-methyl-1~{H}-pyrazol-5-yl]benzene-1,3-diol
Formula:	C18 H17 F N2 O2
SMILES:	CCc1cc(c(O)cc1O)c2[nH]nc(C)c2c3ccccc3F
InChi:	InChI=1S/C18H17FN2O2/c1-3-11-8-13(16(23)9-15(11)22)18-17(10(2)20-21-18)12-6-4-5-7-14(12)19/h4-9,22-23H,3H2,1-2H3,(H,20,21)
Definition date:	2017-09-29
Last modified:	2018-05-25
Release date:	2018-05-30
Identifier:	4-ethyl-6-[4-(2-fluorophenyl)-3-methyl-1~{H}-pyrazol-5-yl]benzene-1,3-diol

EE4

EE4
Name:	N-[(3R,4R)-4-{[4-(2-fluoro-3-methoxy-6-propoxybenzene-1-carbonyl)benzene-1-carbonyl]amino}pyrrolidin-3-yl]-1H-indazole-5-carboxamide
Formula:	C30 H30 F N5 O5
SMILES:	c5c(C(c1c(OCCC)ccc(c1F)OC)=O)ccc(C(=O)NC2C(CNC2)NC(=O)c3cc4c(cc3)nnc4)c5
InChi:	InChI=1S/C30H30FN5O5/c1-3-12-41-24-10-11-25(40-2)27(31)26(24)28(37)17-4-6-18(7-5-17)29(38)34-22-15-32-16-23(22)35-30(39)19-8-9-21-20(13-19)14-33-36-21/h4-11,13-14,22-23,32H,3,12,15-16H2,1-2H3,(H,33,36)(H,34,38)(H,35,39)/t22-,23-/m1/s1
Definition date:	2018-01-03
Last modified:	2018-05-25
Release date:	2018-05-30
Identifier:	N-[(3R,4R)-4-{[4-(2-fluoro-3-methoxy-6-propoxybenzene-1-carbonyl)benzene-1-carbonyl]amino}pyrrolidin-3-yl]-1H-indazole-5-carboxamide

G7D

G7D
Name:	N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-2-hydroxybenzene-1-carbonyl)-L-glutamic acid
Formula:	C19 H19 N7 O7
SMILES:	C2(c3nc(CNc1cc(c(C(NC(CCC(=O)O)C(O)=O)=O)cc1)O)cnc3N=C(N)N2)=O
InChi:	InChI=1S/C19H19N7O7/c20-19-25-15-14(17(31)26-19)23-9(7-22-15)6-21-8-1-2-10(12(27)5-8)16(30)24-11(18(32)33)3-4-13(28)29/h1-2,5,7,11,21,27H,3-4,6H2,(H,24,30)(H,28,29)(H,32,33)(H3,20,22,25,26,31)/t11-/m0/s1
Definition date:	2018-05-11
Last modified:	2018-05-18
Release date:	2018-05-23
Identifier:	N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-2-hydroxybenzene-1-carbonyl)-L-glutamic acid

B5M

B5M
Name:	9-(5-O-{(S)-hydroxy[(2-hydroxy-6-methylbenzene-1-carbonyl)oxy]phosphoryl}-alpha-L-lyxofuranosyl)-9H-purin-6-amine
Formula:	C18 H20 N5 O9 P
SMILES:	C2(COP(OC(=O)c1c(C)cccc1O)(=O)O)OC(C(C2O)O)n4cnc3c(N)ncnc34
InChi:	InChI=1S/C18H20N5O9P/c1-8-3-2-4-9(24)11(8)18(27)32-33(28,29)30-5-10-13(25)14(26)17(31-10)23-7-22-12-15(19)20-6-21-16(12)23/h2-4,6-7,10,13-14,17,24-26H,5H2,1H3,(H,28,29)(H2,19,20,21)/t10-,13+,14+,17+/m0/s1
Definition date:	2017-08-01
Last modified:	2018-05-18
Release date:	2018-05-23
Identifier:	9-(5-O-{(S)-hydroxy[(2-hydroxy-6-methylbenzene-1-carbonyl)oxy]phosphoryl}-alpha-L-lyxofuranosyl)-9H-purin-6-amine

B5V

B5V
Name:	9-(5-O-{(S)-hydroxy[(2-hydroxybenzene-1-carbonyl)oxy]phosphoryl}-alpha-L-lyxofuranosyl)-9H-purin-6-amine
Formula:	C17 H18 N5 O9 P
SMILES:	C2(COP(OC(=O)c1ccccc1O)(=O)O)OC(C(C2O)O)n4cnc3c(N)ncnc34
InChi:	InChI=1S/C17H18N5O9P/c18-14-11-15(20-6-19-14)22(7-21-11)16-13(25)12(24)10(30-16)5-29-32(27,28)31-17(26)8-3-1-2-4-9(8)23/h1-4,6-7,10,12-13,16,23-25H,5H2,(H,27,28)(H2,18,19,20)/t10-,12+,13+,16+/m0/s1
Definition date:	2017-08-01
Last modified:	2018-05-18
Release date:	2018-05-23
Identifier:	9-(5-O-{(S)-hydroxy[(2-hydroxybenzene-1-carbonyl)oxy]phosphoryl}-alpha-L-lyxofuranosyl)-9H-purin-6-amine

B5Y

B5Y
Name:	9-(5-O-{(S)-hydroxy[(2-hydroxy-5-methylbenzene-1-carbonyl)oxy]phosphoryl}-alpha-L-lyxofuranosyl)-9H-purin-6-amine
Formula:	C18 H20 N5 O9 P
SMILES:	C2(COP(OC(=O)c1cc(C)ccc1O)(=O)O)OC(C(C2O)O)n4cnc3c(ncnc34)N
InChi:	InChI=1S/C18H20N5O9P/c1-8-2-3-10(24)9(4-8)18(27)32-33(28,29)30-5-11-13(25)14(26)17(31-11)23-7-22-12-15(19)20-6-21-16(12)23/h2-4,6-7,11,13-14,17,24-26H,5H2,1H3,(H,28,29)(H2,19,20,21)/t11-,13+,14+,17+/m0/s1
Definition date:	2017-08-01
Last modified:	2018-05-18
Release date:	2018-05-23
Identifier:	9-(5-O-{(S)-hydroxy[(2-hydroxy-5-methylbenzene-1-carbonyl)oxy]phosphoryl}-alpha-L-lyxofuranosyl)-9H-purin-6-amine

EZ1

EZ1
Name:	4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
Formula:	C9 H11 N O2 S Se
SMILES:	c1c(ccc(c1)[Se]C[C@H]=C)S(N)(=O)=O
InChi:	InChI=1S/C9H11NO2SSe/c1-2-7-14-9-5-3-8(4-6-9)13(10,11)12/h2-6H,1,7H2,(H2,10,11,12)
Definition date:	2018-02-13
Last modified:	2018-05-18
Release date:	2018-05-23
Identifier:	4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide

G3V

G3V
Name:	N-(4-{[(2,4-diaminopteridin-6-yl)methyl](hydroxymethyl)amino}benzene-1-carbonyl)-L-glutamic acid
Formula:	C20 H22 N8 O6
SMILES:	c1(N)nc(c2c(n1)ncc(n2)CN(CO)c3ccc(cc3)C(NC(CCC(O)=O)C(O)=O)=O)N
InChi:	InChI=1S/C20H22N8O6/c21-16-15-17(27-20(22)26-16)23-7-11(24-15)8-28(9-29)12-3-1-10(2-4-12)18(32)25-13(19(33)34)5-6-14(30)31/h1-4,7,13,29H,5-6,8-9H2,(H,25,32)(H,30,31)(H,33,34)(H4,21,22,23,26,27)/t13-/m0/s1
Definition date:	2018-05-04
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	N-(4-{[(2,4-diaminopteridin-6-yl)methyl](hydroxymethyl)amino}benzene-1-carbonyl)-L-glutamic acid

FQG

FQG
Name:	5-{[2,4-dichloro-5-(pyridin-2-yl)benzene-1-carbonyl]amino}-N-(2-hydroxy-2-methylpropyl)-1-phenyl-1H-pyrazole-3-carboxamide
Formula:	C26 H23 Cl2 N5 O3
SMILES:	C(c3nn(c(NC(c1c(Cl)cc(Cl)c(c1)c2ncccc2)=O)c3)c4ccccc4)(=O)NCC(O)(C)C
InChi:	InChI=1S/C26H23Cl2N5O3/c1-26(2,36)15-30-25(35)22-14-23(33(32-22)16-8-4-3-5-9-16)31-24(34)18-12-17(19(27)13-20(18)28)21-10-6-7-11-29-21/h3-14,36H,15H2,1-2H3,(H,30,35)(H,31,34)
Definition date:	2018-04-13
Last modified:	2018-04-27
Release date:	2018-05-02
Identifier:	5-{[2,4-dichloro-5-(pyridin-2-yl)benzene-1-carbonyl]amino}-N-(2-hydroxy-2-methylpropyl)-1-phenyl-1H-pyrazole-3-carboxamide

FQM

FQM
Name:	5-{[5-(6-aminopyridin-2-yl)-2-chlorobenzene-1-carbonyl]amino}-1-phenyl-1H-pyrazole-3-carboxamide
Formula:	C22 H17 Cl N6 O2
SMILES:	c1ccc(cc1)n2c(cc(C(=O)N)n2)NC(c3cc(ccc3Cl)c4cccc(n4)N)=O
InChi:	InChI=1S/C22H17ClN6O2/c23-16-10-9-13(17-7-4-8-19(24)26-17)11-15(16)22(31)27-20-12-18(21(25)30)28-29(20)14-5-2-1-3-6-14/h1-12H,(H2,24,26)(H2,25,30)(H,27,31)
Definition date:	2018-04-13
Last modified:	2018-04-27
Release date:	2018-05-02
Identifier:	5-{[5-(6-aminopyridin-2-yl)-2-chlorobenzene-1-carbonyl]amino}-1-phenyl-1H-pyrazole-3-carboxamide

8FC

8FC
Name:	~{N}-(4-cyclopropyl-1,3,3-trimethyl-2-oxidanylidene-quinoxalin-6-yl)-4-methyl-benzenesulfonamide
Formula:	C21 H25 N3 O3 S
SMILES:	CN1C(=O)C(C)(C)N(C2CC2)c3cc(N[S](=O)(=O)c4ccc(C)cc4)ccc13
InChi:	InChI=1S/C21H25N3O3S/c1-14-5-10-17(11-6-14)28(26,27)22-15-7-12-18-19(13-15)24(16-8-9-16)21(2,3)20(25)23(18)4/h5-7,10-13,16,22H,8-9H2,1-4H3
Definition date:	2017-06-23
Last modified:	2018-04-27
Release date:	2018-05-02
Identifier:	~{N}-(4-cyclopropyl-1,3,3-trimethyl-2-oxidanylidene-quinoxalin-6-yl)-4-methyl-benzenesulfonamide

9AY

9AY
Name:	4-methylbenzene-1,2-diamine
Formula:	C7 H10 N2
SMILES:	c1cc(C)cc(c1N)N
InChi:	InChI=1S/C7H10N2/c1-5-2-3-6(8)7(9)4-5/h2-4H,8-9H2,1H3
Definition date:	2017-04-14
Last modified:	2018-04-20
Release date:	2018-04-25
Identifier:	4-methylbenzene-1,2-diamine

CWY

CWY
Name:	(1S,2S,4S,5R,6S)-2-amino-4-[(3-methoxybenzene-1-carbonyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
Formula:	C16 H18 N2 O6
SMILES:	OC(C3(CC(NC(=O)c1cc(OC)ccc1)C2C(C(O)=O)C23)N)=O
InChi:	InChI=1S/C16H18N2O6/c1-24-8-4-2-3-7(5-8)13(19)18-9-6-16(17,15(22)23)12-10(9)11(12)14(20)21/h2-5,9-12H,6,17H2,1H3,(H,18,19)(H,20,21)(H,22,23)/t9-,10-,11-,12-,16-/m0/s1
Definition date:	2017-10-05
Last modified:	2018-04-20
Release date:	2018-04-25
Identifier:	(1S,2S,4S,5R,6S)-2-amino-4-[(3-methoxybenzene-1-carbonyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid

FBS

FBS
Name:	4-FLUOROBENZENESULFONAMIDE
Formula:	C6 H6 F N O2 S
SMILES:	c1(ccc(cc1)S(=O)(=O)N)F
InChi:	InChI=1S/C6H6FNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)
Definition date:	2001-04-13
Last modified:	2018-04-18
Identifier:	4-fluorobenzene-1-sulfonamide

N2B

N2B
Name:	ETHYLBENZENE
Formula:	C8 H10
SMILES:	c1(ccccc1)CC
InChi:	InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3
Definition date:	1999-07-08
Last modified:	2018-04-17
Identifier:	ethylbenzene

D57

D57
Name:	dimethyl 2-[2-(1-benzyl-1H-imidazol-2-yl)ethyl]-4,6-dihydroxybenzene-1,3-dicarboxylate
Formula:	C22 H22 N2 O6
SMILES:	COC(c1c(O)cc(O)c(C(=O)OC)c1CCc2nccn2Cc3ccccc3)=O
InChi:	InChI=1S/C22H22N2O6/c1-29-21(27)19-15(20(22(28)30-2)17(26)12-16(19)25)8-9-18-23-10-11-24(18)13-14-6-4-3-5-7-14/h3-7,10-12,25-26H,8-9,13H2,1-2H3
Definition date:	2017-10-18
Last modified:	2018-04-13
Release date:	2018-04-18
Identifier:	dimethyl 2-[2-(1-benzyl-1H-imidazol-2-yl)ethyl]-4,6-dihydroxybenzene-1,3-dicarboxylate

HV9

HV9
Name:	4-methyl-N-({1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl}carbamoyl)benzene-1-sulfonamide
Formula:	C18 H20 F3 N5 O3 S
SMILES:	Cc1ccc(cc1)S(=O)(=O)NC(=O)NC3CCN(c2nccc(n2)C(F)(F)F)CC3
InChi:	InChI=1S/C18H20F3N5O3S/c1-12-2-4-14(5-3-12)30(28,29)25-17(27)23-13-7-10-26(11-8-13)16-22-9-6-15(24-16)18(19,20)21/h2-6,9,13H,7-8,10-11H2,1H3,(H2,23,25,27)
Definition date:	2017-04-20
Last modified:	2018-04-13
Release date:	2018-04-18
Identifier:	4-methyl-N-({1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl}carbamoyl)benzene-1-sulfonamide

EQD

EQD
Name:	5-[2-(1-benzyl-1H-imidazol-2-yl)ethyl]-4,6-dichlorobenzene-1,3-diol
Formula:	C18 H16 Cl2 N2 O2
SMILES:	c3(Cl)c(CCc1n(ccn1)Cc2ccccc2)c(Cl)c(cc3O)O
InChi:	InChI=1S/C18H16Cl2N2O2/c19-17-13(18(20)15(24)10-14(17)23)6-7-16-21-8-9-22(16)11-12-4-2-1-3-5-12/h1-5,8-10,23-24H,6-7,11H2
Definition date:	2018-01-26
Last modified:	2018-04-13
Release date:	2018-04-18
Identifier:	5-[2-(1-benzyl-1H-imidazol-2-yl)ethyl]-4,6-dichlorobenzene-1,3-diol

CV4

CV4
Name:	N-methyl-3-[(6-{[4-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]benzene-1-sulfonamide
Formula:	C18 H16 F3 N5 O2 S
SMILES:	c1(cc(S(NC)(=O)=O)ccc1)Nc3cc(Nc2ccc(cc2)C(F)(F)F)ncn3
InChi:	InChI=1S/C18H16F3N5O2S/c1-22-29(27,28)15-4-2-3-14(9-15)26-17-10-16(23-11-24-17)25-13-7-5-12(6-8-13)18(19,20)21/h2-11,22H,1H3,(H2,23,24,25,26)
Definition date:	2017-10-03
Last modified:	2018-03-29
Release date:	2018-04-04
Identifier:	N-methyl-3-[(6-{[4-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]benzene-1-sulfonamide

8G0

8G0
Name:	benzene-1,3-dicarboxylic acid
Formula:	C8 H6 O4
SMILES:	OC(=O)c1cccc(c1)C(O)=O
InChi:	InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
Definition date:	2017-06-30
Last modified:	2018-03-16
Release date:	2018-03-21
Identifier:	benzene-1,3-dicarboxylic acid

8ZV

8ZV
Name:	2-{[3,5-bis(2-methoxyethoxy)benzene-1-carbonyl]amino}ethyl (2S)-1-(benzylsulfonyl)piperidine-2-carboxylate
Formula:	C28 H38 N2 O9 S
SMILES:	C(CNC(c1cc(cc(OCCOC)c1)OCCOC)=O)OC(C2CCCCN2S(Cc3ccccc3)(=O)=O)=O
InChi:	InChI=1S/C28H38N2O9S/c1-35-14-16-37-24-18-23(19-25(20-24)38-17-15-36-2)27(31)29-11-13-39-28(32)26-10-6-7-12-30(26)40(33,34)21-22-8-4-3-5-9-22/h3-5,8-9,18-20,26H,6-7,10-17,21H2,1-2H3,(H,29,31)/t26-/m0/s1
Definition date:	2017-03-23
Last modified:	2018-03-09
Release date:	2018-03-14
Identifier:	2-{[3,5-bis(2-methoxyethoxy)benzene-1-carbonyl]amino}ethyl (2S)-1-(benzylsulfonyl)piperidine-2-carboxylate

8Z5

8Z5
Name:	Alpha-Bromo-3-Iodotoluene
Formula:	C7 H6 Br I
SMILES:	BrCc1cccc(I)c1
InChi:	InChI=1S/C7H6BrI/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2
Definition date:	2017-03-28
Last modified:	2018-02-16
Release date:	2018-02-21
Identifier:	1-(bromomethyl)-3-iodanyl-benzene

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