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9E2

9E2
Name:	2-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)-~{N}-(4-sulfamoylphenyl)ethanamide
Formula:	C12 H12 Cl N5 O5 S
SMILES:	Cc1n(CC(=O)Nc2ccc(cc2)[S](N)(=O)=O)nc(c1Cl)[N+]([O-])=O
InChi:	InChI=1S/C12H12ClN5O5S/c1-7-11(13)12(18(20)21)16-17(7)6-10(19)15-8-2-4-9(5-3-8)24(14,22)23/h2-5H,6H2,1H3,(H,15,19)(H2,14,22,23)
Definition date:	2017-05-11
Last modified:	2018-01-12
Release date:	2018-01-17
Identifier:	2-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)-~{N}-(4-sulfamoylphenyl)ethanamide

9E4

9E4
Name:	4-methoxy-N~1~-methyl-N~3~-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}benzene-1,3-dicarboxamide
Formula:	C20 H22 N6 O3
SMILES:	n1ncn(C(C)C)c1c3cccc(NC(=O)c2cc(C(=O)NC)ccc2OC)n3
InChi:	InChI=1S/C20H22N6O3/c1-12(2)26-11-22-25-18(26)15-6-5-7-17(23-15)24-20(28)14-10-13(19(27)21-3)8-9-16(14)29-4/h5-12H,1-4H3,(H,21,27)(H,23,24,28)
Definition date:	2017-04-21
Last modified:	2018-01-12
Release date:	2018-01-17
Identifier:	4-methoxy-N~1~-methyl-N~3~-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}benzene-1,3-dicarboxamide

9E5

9E5
Name:	3,6,7-trimethyl-~{N}-[(4-sulfamoylphenyl)methyl]-1-benzofuran-2-carboxamide
Formula:	C19 H20 N2 O4 S
SMILES:	Cc1ccc2c(C)c(oc2c1C)C(=O)NCc3ccc(cc3)[S](N)(=O)=O
InChi:	InChI=1S/C19H20N2O4S/c1-11-4-9-16-13(3)18(25-17(16)12(11)2)19(22)21-10-14-5-7-15(8-6-14)26(20,23)24/h4-9H,10H2,1-3H3,(H,21,22)(H2,20,23,24)
Definition date:	2017-05-11
Last modified:	2018-01-12
Release date:	2018-01-17
Identifier:	3,6,7-trimethyl-~{N}-[(4-sulfamoylphenyl)methyl]-1-benzofuran-2-carboxamide

9E8

9E8
Name:	1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
Formula:	C15 H16 Cl N3 O3 S
SMILES:	N[S](=O)(=O)c1ccc(CCNC(=O)Nc2ccc(Cl)cc2)cc1
InChi:	InChI=1S/C15H16ClN3O3S/c16-12-3-5-13(6-4-12)19-15(20)18-10-9-11-1-7-14(8-2-11)23(17,21)22/h1-8H,9-10H2,(H2,17,21,22)(H2,18,19,20)
Definition date:	2017-05-11
Last modified:	2018-01-12
Release date:	2018-01-17
Identifier:	1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea

9EB

9EB
Name:	4-chloranyl-~{N}-[(1~{R})-1-(2-hydroxyphenyl)ethyl]-3-sulfamoyl-benzamide
Formula:	C15 H15 Cl N2 O4 S
SMILES:	C[CH](NC(=O)c1ccc(Cl)c(c1)[S](N)(=O)=O)c2ccccc2O
InChi:	InChI=1S/C15H15ClN2O4S/c1-9(11-4-2-3-5-13(11)19)18-15(20)10-6-7-12(16)14(8-10)23(17,21)22/h2-9,19H,1H3,(H,18,20)(H2,17,21,22)/t9-/m1/s1
Definition date:	2017-05-11
Last modified:	2018-01-12
Release date:	2018-01-17
Identifier:	4-chloranyl-~{N}-[(1~{R})-1-(2-hydroxyphenyl)ethyl]-3-sulfamoyl-benzamide

9HK

9HK
Name:	4-[(4-nitrophenyl)methyl]benzenesulfonamide
Formula:	C13 H12 N2 O4 S
SMILES:	N[S](=O)(=O)c1ccc(Cc2ccc(cc2)[N+]([O-])=O)cc1
InChi:	InChI=1S/C13H12N2O4S/c14-20(18,19)13-7-3-11(4-8-13)9-10-1-5-12(6-2-10)15(16)17/h1-8H,9H2,(H2,14,18,19)
Definition date:	2017-05-20
Last modified:	2018-01-12
Release date:	2018-01-17
Identifier:	4-[(4-nitrophenyl)methyl]benzenesulfonamide

8D4

8D4
Name:	5-phenyl-1H-1,2,3-triazole-4-carboxylic acid
Formula:	C9 H7 N3 O2
SMILES:	OC(=O)c2c(c1ccccc1)nnn2
InChi:	InChI=1S/C9H7N3O2/c13-9(14)8-7(10-12-11-8)6-4-2-1-3-5-6/h1-5H,(H,13,14)(H,10,11,12)
Definition date:	2017-01-19
Last modified:	2018-01-12
Release date:	2018-01-17
Identifier:	5-phenyl-1H-1,2,3-triazole-4-carboxylic acid

P0F

P0F
Name:	3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-4H-1,2,4-triazol-3-yl)phenol
Formula:	C15 H12 Cl F N4 O
SMILES:	Clc1cccc(F)c1CNc2nnc(n2)c3cc(O)ccc3
InChi:	InChI=1S/C15H12ClFN4O/c16-12-5-2-6-13(17)11(12)8-18-15-19-14(20-21-15)9-3-1-4-10(22)7-9/h1-7,22H,8H2,(H2,18,19,20,21)
Definition date:	2016-03-24
Last modified:	2018-01-12
Release date:	2018-01-17
Identifier:	3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-4H-1,2,4-triazol-3-yl)phenol

9XT

9XT
Name:	3-[(4-azanyl-3-methyl-phenyl)methyl]-7-(furan-2-yl)-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine
Formula:	C16 H15 N7 O
SMILES:	Cc1cc(Cn2nnc3c2nc(N)nc3c4occc4)ccc1N
InChi:	InChI=1S/C16H15N7O/c1-9-7-10(4-5-11(9)17)8-23-15-14(21-22-23)13(19-16(18)20-15)12-3-2-6-24-12/h2-7H,8,17H2,1H3,(H2,18,19,20)
Definition date:	2017-07-28
Last modified:	2018-01-12
Release date:	2018-01-17
Identifier:	3-[(4-azanyl-3-methyl-phenyl)methyl]-7-(furan-2-yl)-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine

9XW

9XW
Name:	~{N}-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-methyl-4-oxidanyl-piperidine-1-carboxamide
Formula:	C19 H26 N4 O4 S
SMILES:	COc1ccc(N2CCOCC2)c3sc(NC(=O)N4CCC(C)(O)CC4)nc13
InChi:	InChI=1S/C19H26N4O4S/c1-19(25)5-7-23(8-6-19)18(24)21-17-20-15-14(26-2)4-3-13(16(15)28-17)22-9-11-27-12-10-22/h3-4,25H,5-12H2,1-2H3,(H,20,21,24)
Definition date:	2017-07-28
Last modified:	2018-01-12
Release date:	2018-01-17
Identifier:	~{N}-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-methyl-4-oxidanyl-piperidine-1-carboxamide

9Y1

9Y1
Name:	2-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
Formula:	C14 H7 F4 N3 O2 S
SMILES:	c3(F)ccc(c2nn(c1nc(cs1)C(O)=O)c(C(F)(F)F)c2)cc3
InChi:	InChI=1S/C14H7F4N3O2S/c15-8-3-1-7(2-4-8)9-5-11(14(16,17)18)21(20-9)13-19-10(6-24-13)12(22)23/h1-6H,(H,22,23)
Definition date:	2017-06-26
Last modified:	2018-01-12
Release date:	2018-01-17
Identifier:	2-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid

9Y2

9Y2
Name:	4-(3,3-dimethylbutanoylamino)-3,5-bis(fluoranyl)-~{N}-(1,3-thiazol-2-yl)benzamide
Formula:	C16 H17 F2 N3 O2 S
SMILES:	CC(C)(C)CC(=O)Nc1c(F)cc(cc1F)C(=O)Nc2sccn2
InChi:	InChI=1S/C16H17F2N3O2S/c1-16(2,3)8-12(22)20-13-10(17)6-9(7-11(13)18)14(23)21-15-19-4-5-24-15/h4-7H,8H2,1-3H3,(H,20,22)(H,19,21,23)
Definition date:	2017-07-28
Last modified:	2018-01-12
Release date:	2018-01-17
Identifier:	4-(3,3-dimethylbutanoylamino)-3,5-bis(fluoranyl)-~{N}-(1,3-thiazol-2-yl)benzamide

9Y7

9Y7
Name:	2-{3-(3,4-difluorophenyl)-5-hydroxy-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid
Formula:	C20 H14 F2 N4 O5 S2
SMILES:	c2(Cc1ccc(S(N)(=O)=O)cc1)c(O)n(nc2c3cc(c(cc3)F)F)c4scc(n4)C(=O)O
InChi:	InChI=1S/C20H14F2N4O5S2/c21-14-6-3-11(8-15(14)22)17-13(7-10-1-4-12(5-2-10)33(23,30)31)18(27)26(25-17)20-24-16(9-32-20)19(28)29/h1-6,8-9,27H,7H2,(H,28,29)(H2,23,30,31)
Definition date:	2017-06-26
Last modified:	2018-01-12
Release date:	2018-01-17
Identifier:	2-{3-(3,4-difluorophenyl)-5-hydroxy-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid

9YA

9YA
Name:	2-{3-([1,1'-biphenyl]-3-yl)-5-(cyclopropylmethyl)-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid
Formula:	C30 H26 N4 O4 S2
SMILES:	c1(cccc(c1)c5c(Cc2ccc(S(N)(=O)=O)cc2)c(CC3CC3)n(c4nc(cs4)C(O)=O)n5)c6ccccc6
InChi:	InChI=1S/C30H26N4O4S2/c31-40(37,38)24-13-11-19(12-14-24)15-25-27(16-20-9-10-20)34(30-32-26(18-39-30)29(35)36)33-28(25)23-8-4-7-22(17-23)21-5-2-1-3-6-21/h1-8,11-14,17-18,20H,9-10,15-16H2,(H,35,36)(H2,31,37,38)
Definition date:	2017-06-26
Last modified:	2018-01-12
Release date:	2018-01-17
Identifier:	2-{3-([1,1'-biphenyl]-3-yl)-5-(cyclopropylmethyl)-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid

9YD

9YD
Name:	2-[3-(3,4-difluorophenyl)-5-hydroxy-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
Formula:	C13 H7 F2 N3 O3 S
SMILES:	c1(F)c(F)cc(cc1)c3cc(n(c2scc(n2)C(O)=O)n3)O
InChi:	InChI=1S/C13H7F2N3O3S/c14-7-2-1-6(3-8(7)15)9-4-11(19)18(17-9)13-16-10(5-22-13)12(20)21/h1-5,19H,(H,20,21)
Definition date:	2017-06-26
Last modified:	2018-01-12
Release date:	2018-01-17
Identifier:	2-[3-(3,4-difluorophenyl)-5-hydroxy-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid

9DE

9DE
Name:	4-[(4-bromophenyl)sulfonylamino]benzenesulfonamide
Formula:	C12 H11 Br N2 O4 S2
SMILES:	N[S](=O)(=O)c1ccc(N[S](=O)(=O)c2ccc(Br)cc2)cc1
InChi:	InChI=1S/C12H11BrN2O4S2/c13-9-1-5-12(6-2-9)21(18,19)15-10-3-7-11(8-4-10)20(14,16)17/h1-8,15H,(H2,14,16,17)
Definition date:	2017-05-10
Last modified:	2018-01-12
Release date:	2018-01-17
Identifier:	4-[(4-bromophenyl)sulfonylamino]benzenesulfonamide

9DH

9DH
Name:	2-[methyl(phenyl)amino]-~{N}-(4-sulfamoylphenyl)ethanamide
Formula:	C15 H17 N3 O3 S
SMILES:	CN(CC(=O)Nc1ccc(cc1)[S](N)(=O)=O)c2ccccc2
InChi:	InChI=1S/C15H17N3O3S/c1-18(13-5-3-2-4-6-13)11-15(19)17-12-7-9-14(10-8-12)22(16,20)21/h2-10H,11H2,1H3,(H,17,19)(H2,16,20,21)
Definition date:	2017-05-10
Last modified:	2018-01-12
Release date:	2018-01-17
Identifier:	2-[methyl(phenyl)amino]-~{N}-(4-sulfamoylphenyl)ethanamide

C8K

C8K
Name:	~{N}-(1,3-benzodioxol-5-ylmethyl)-5-bromanyl-3-fluoranyl-pyridine-2-carboxamide
Formula:	C14 H10 Br F N2 O3
SMILES:	Fc1cc(Br)cnc1C(=O)NCc2ccc3OCOc3c2
InChi:	InChI=1S/C14H10BrFN2O3/c15-9-4-10(16)13(17-6-9)14(19)18-5-8-1-2-11-12(3-8)21-7-20-11/h1-4,6H,5,7H2,(H,18,19)
Definition date:	2017-11-20
Last modified:	2018-01-12
Release date:	2018-01-17
Identifier:	~{N}-(1,3-benzodioxol-5-ylmethyl)-5-bromanyl-3-fluoranyl-pyridine-2-carboxamide

R92

R92
Name:	4-chloranyl-~{N}-[(1~{S})-1-(2-hydroxyphenyl)ethyl]-3-sulfamoyl-benzamide
Formula:	C15 H15 Cl N2 O4 S
SMILES:	C[CH](NC(=O)c1ccc(Cl)c(c1)[S](N)(=O)=O)c2ccccc2O
InChi:	InChI=1S/C15H15ClN2O4S/c1-9(11-4-2-3-5-13(11)19)18-15(20)10-6-7-12(16)14(8-10)23(17,21)22/h2-9,19H,1H3,(H,18,20)(H2,17,21,22)/t9-/m0/s1
Definition date:	2017-05-11
Last modified:	2018-01-12
Release date:	2018-01-17
Identifier:	4-chloranyl-~{N}-[(1~{S})-1-(2-hydroxyphenyl)ethyl]-3-sulfamoyl-benzamide

RA1

RA1
Name:	2-chloranyl-4-nitro-~{N}-(4-sulfamoylphenyl)benzamide
Formula:	C13 H10 Cl N3 O5 S
SMILES:	N[S](=O)(=O)c1ccc(NC(=O)c2ccc(cc2Cl)[N+]([O-])=O)cc1
InChi:	InChI=1S/C13H10ClN3O5S/c14-12-7-9(17(19)20)3-6-11(12)13(18)16-8-1-4-10(5-2-8)23(15,21)22/h1-7H,(H,16,18)(H2,15,21,22)
Definition date:	2017-05-10
Last modified:	2018-01-12
Release date:	2018-01-17
Identifier:	2-chloranyl-4-nitro-~{N}-(4-sulfamoylphenyl)benzamide

RA9

RA9
Name:	2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-~{N}-(4-sulfamoylphenyl)ethanamide
Formula:	C10 H11 N5 O3 S3
SMILES:	Nc1sc(SCC(=O)Nc2ccc(cc2)[S](N)(=O)=O)nn1
InChi:	InChI=1S/C10H11N5O3S3/c11-9-14-15-10(20-9)19-5-8(16)13-6-1-3-7(4-2-6)21(12,17)18/h1-4H,5H2,(H2,11,14)(H,13,16)(H2,12,17,18)
Definition date:	2017-05-11
Last modified:	2018-01-12
Release date:	2018-01-17
Identifier:	2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-~{N}-(4-sulfamoylphenyl)ethanamide

CVV

CVV
Name:	N-[(5alpha,6beta)-17-(cyclopropylmethyl)-3-hydroxy-7,8-didehydro-4,5-epoxymorphinan-6-yl]-3-iodobenzamide
Formula:	C27 H27 I N2 O3
SMILES:	N(C4C=CC1C2Cc6ccc(c5c6C1(CCN2CC3CC3)C4O5)O)C(c7cc(ccc7)I)=O
InChi:	InChI=1S/C27H27IN2O3/c28-18-3-1-2-17(12-18)26(32)29-20-8-7-19-21-13-16-6-9-22(31)24-23(16)27(19,25(20)33-24)10-11-30(21)14-15-4-5-15/h1-3,6-9,12,15,19-21,25,31H,4-5,10-11,13-14H2,(H,29,32)/t19-,20+,21+,25-,27-/m0/s1
Definition date:	2017-10-04
Last modified:	2018-01-12
Release date:	2018-01-17
Identifier:	N-[(5alpha,6beta)-17-(cyclopropylmethyl)-3-hydroxy-7,8-didehydro-4,5-epoxymorphinan-6-yl]-3-iodobenzamide

6TV

6TV
Name:	~{N}-[2-(propylamino)ethyl]isoquinoline-5-sulfonamide
Formula:	C14 H19 N3 O2 S
SMILES:	CCCNCCN[S](=O)(=O)c1cccc2cnccc12
InChi:	InChI=1S/C14H19N3O2S/c1-2-7-15-9-10-17-20(18,19)14-5-3-4-12-11-16-8-6-13(12)14/h3-6,8,11,15,17H,2,7,9-10H2,1H3
Definition date:	2016-06-22
Last modified:	2018-01-12
Release date:	2018-01-17
Identifier:	~{N}-[2-(propylamino)ethyl]isoquinoline-5-sulfonamide

6TX

6TX
Name:	2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethylazanium
Formula:	C14 H20 N3 O2 S
SMILES:	CCCN(CC[NH3+])[S](=O)(=O)c1cccc2cnccc12
InChi:	InChI=1S/C14H19N3O2S/c1-2-9-17(10-7-15)20(18,19)14-5-3-4-12-11-16-8-6-13(12)14/h3-6,8,11H,2,7,9-10,15H2,1H3/p+1
Definition date:	2016-06-22
Last modified:	2018-01-12
Release date:	2018-01-17
Identifier:	2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethylazanium

6TY

6TY
Name:	5-[(2~{R})-2-methylpiperazin-1-yl]sulfonylisoquinoline
Formula:	C14 H17 N3 O2 S
SMILES:	C[CH]1CNCCN1[S](=O)(=O)c2cccc3cnccc23
InChi:	InChI=1S/C14H17N3O2S/c1-11-9-16-7-8-17(11)20(18,19)14-4-2-3-12-10-15-6-5-13(12)14/h2-6,10-11,16H,7-9H2,1H3/t11-/m1/s1
Definition date:	2016-06-22
Last modified:	2018-01-12
Release date:	2018-01-17
Identifier:	5-[(2~{R})-2-methylpiperazin-1-yl]sulfonylisoquinoline

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