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JHV

JHV
Name:	4-chloro-N~1~-(pyridin-4-yl)benzene-1,2-diamine
Formula:	C11 H10 Cl N3
SMILES:	c1(ccncc1)Nc2ccc(cc2N)Cl
InChi:	InChI=1S/C11H10ClN3/c12-8-1-2-11(10(13)7-8)15-9-3-5-14-6-4-9/h1-7H,13H2,(H,14,15)
Definition date:	2018-09-10
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	4-chloro-N~1~-(pyridin-4-yl)benzene-1,2-diamine

JJ4

JJ4
Name:	3-cyclopentyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide
Formula:	C12 H18 N2 O S
SMILES:	C(C(Nc1ncc(C)s1)=O)CC2CCCC2
InChi:	InChI=1S/C12H18N2OS/c1-9-8-13-12(16-9)14-11(15)7-6-10-4-2-3-5-10/h8,10H,2-7H2,1H3,(H,13,14,15)
Definition date:	2018-09-10
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	3-cyclopentyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide

JJ7

JJ7
Name:	1-{4-[(2-methoxyethyl)amino]piperidin-1-yl}ethan-1-one
Formula:	C10 H20 N2 O2
SMILES:	CC(N1CCC(CC1)NCCOC)=O
InChi:	InChI=1S/C10H20N2O2/c1-9(13)12-6-3-10(4-7-12)11-5-8-14-2/h10-11H,3-8H2,1-2H3
Definition date:	2018-09-10
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	1-{4-[(2-methoxyethyl)amino]piperidin-1-yl}ethan-1-one

CVG

CVG
Name:	6-methylpyridazin-3-ol
Formula:	C5 H6 N2 O
SMILES:	c1cc(O)nnc1C
InChi:	InChI=1S/C5H6N2O/c1-4-2-3-5(8)7-6-4/h2-3H,1H3,(H,7,8)
Definition date:	2017-10-05
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	6-methylpyridazin-3-ol

JJG

JJG
Name:	4-[2-(phenylsulfanyl)ethyl]morpholine
Formula:	C12 H17 N O S
SMILES:	C1COCCN1CCSc2ccccc2
InChi:	InChI=1S/C12H17NOS/c1-2-4-12(5-3-1)15-11-8-13-6-9-14-10-7-13/h1-5H,6-11H2
Definition date:	2018-09-10
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	4-[2-(phenylsulfanyl)ethyl]morpholine

JJM

JJM
Name:	1-methyl-N-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Formula:	C13 H13 N5
SMILES:	c32c(Nc1cccc(C)c1)ncnc2n(nc3)C
InChi:	InChI=1S/C13H13N5/c1-9-4-3-5-10(6-9)17-12-11-7-16-18(2)13(11)15-8-14-12/h3-8H,1-2H3,(H,14,15,17)
Definition date:	2018-09-11
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	1-methyl-N-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

JJP

JJP
Name:	(2S,5S,6R)-7-methyl-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol
Formula:	C15 H18 N2 O
SMILES:	c1c2c4c(n(C)c2ccc1)C3C(CNC(C3)C4)O
InChi:	InChI=1S/C15H18N2O/c1-17-13-5-3-2-4-10(13)11-6-9-7-12(15(11)17)14(18)8-16-9/h2-5,9,12,14,16,18H,6-8H2,1H3/t9-,12+,14-/m1/s1
Definition date:	2018-09-11
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	(2S,5S,6R)-7-methyl-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol

JJY

JJY
Name:	3,4,6,7-tetrahydroacridine-1,8(2H,5H)-dione
Formula:	C13 H13 N O2
SMILES:	C2CC(c3cc1C(=O)CCCc1nc3C2)=O
InChi:	InChI=1S/C13H13NO2/c15-12-5-1-3-10-8(12)7-9-11(14-10)4-2-6-13(9)16/h7H,1-6H2
Definition date:	2018-09-11
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	3,4,6,7-tetrahydroacridine-1,8(2H,5H)-dione

JK7

JK7
Name:	N-[(1S,2S,3S,4R)-3-hydroxy-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-2-yl]cyclobutanecarboxamide
Formula:	C15 H17 N O3
SMILES:	C4C(C(NC1C(C2c3ccccc3C1O2)O)=O)CC4
InChi:	InChI=1S/C15H17NO3/c17-12-11(16-15(18)8-4-3-5-8)13-9-6-1-2-7-10(9)14(12)19-13/h1-2,6-8,11-14,17H,3-5H2,(H,16,18)/t11-,12-,13-,14+/m0/s1
Definition date:	2018-09-11
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	N-[(1S,2S,3S,4R)-3-hydroxy-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-2-yl]cyclobutanecarboxamide

JKA

JKA
Name:	(1S,4R,5S,6R)-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonane-4,6-diol
Formula:	C9 H17 N O4 S
SMILES:	C1C2C(CN(S(C)(=O)=O)C1CCC2O)O
InChi:	InChI=1S/C9H17NO4S/c1-15(13,14)10-5-9(12)7-4-6(10)2-3-8(7)11/h6-9,11-12H,2-5H2,1H3/t6-,7-,8+,9-/m0/s1
Definition date:	2018-09-11
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	(1S,4R,5S,6R)-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonane-4,6-diol

JKG

JKG
Name:	4-({[(thiophen-2-yl)methyl]amino}methyl)phenol
Formula:	C12 H13 N O S
SMILES:	c2c(CNCc1cccs1)ccc(c2)O
InChi:	InChI=1S/C12H13NOS/c14-11-5-3-10(4-6-11)8-13-9-12-2-1-7-15-12/h1-7,13-14H,8-9H2
Definition date:	2018-09-11
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	4-({[(thiophen-2-yl)methyl]amino}methyl)phenol

JKJ

JKJ
Name:	(1R,3R,4S)-3-(methoxymethyl)-2-(methylsulfonyl)-2-azabicyclo[2.2.2]octan-4-ol
Formula:	C10 H19 N O4 S
SMILES:	COCC1C2(CCC(N1S(=O)(C)=O)CC2)O
InChi:	InChI=1S/C10H19NO4S/c1-15-7-9-10(12)5-3-8(4-6-10)11(9)16(2,13)14/h8-9,12H,3-7H2,1-2H3/t8-,9-,10-/m1/s1
Definition date:	2018-09-11
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	(1R,3R,4S)-3-(methoxymethyl)-2-(methylsulfonyl)-2-azabicyclo[2.2.2]octan-4-ol

JKP

JKP
Name:	2,6-dichloropyridine-4-carboxylic acid
Formula:	C6 H3 Cl2 N O2
SMILES:	OC(c1cc(nc(c1)Cl)Cl)=O
InChi:	InChI=1S/C6H3Cl2NO2/c7-4-1-3(6(10)11)2-5(8)9-4/h1-2H,(H,10,11)
Definition date:	2018-09-11
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	2,6-dichloropyridine-4-carboxylic acid

JKS

JKS
Name:	5-(pyrrolidin-1-yl)pyridine-2-carbonitrile
Formula:	C10 H11 N3
SMILES:	C1CCCN1c2ccc(C#N)nc2
InChi:	InChI=1S/C10H11N3/c11-7-9-3-4-10(8-12-9)13-5-1-2-6-13/h3-4,8H,1-2,5-6H2
Definition date:	2018-09-11
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	5-(pyrrolidin-1-yl)pyridine-2-carbonitrile

JKV

JKV
Name:	3-(4-chlorophenyl)-1H-pyrazol-5-amine
Formula:	C9 H8 Cl N3
SMILES:	c1(Cl)ccc(cc1)c2cc(N)nn2
InChi:	InChI=1S/C9H8ClN3/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-5H,(H3,11,12,13)
Definition date:	2018-09-11
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	3-(4-chlorophenyl)-1H-pyrazol-5-amine

JKY

JKY
Name:	N-[(4-chlorophenyl)methyl]methanesulfonamide
Formula:	C8 H10 Cl N O2 S
SMILES:	c1(ccc(cc1)CNS(C)(=O)=O)Cl
InChi:	InChI=1S/C8H10ClNO2S/c1-13(11,12)10-6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3
Definition date:	2018-09-11
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	N-[(4-chlorophenyl)methyl]methanesulfonamide

JL1

JL1
Name:	2-[(4-methylphenyl)sulfanyl]pyridine-3-carboxylic acid
Formula:	C13 H11 N O2 S
SMILES:	c2cnc(Sc1ccc(cc1)C)c(C(=O)O)c2
InChi:	InChI=1S/C13H11NO2S/c1-9-4-6-10(7-5-9)17-12-11(13(15)16)3-2-8-14-12/h2-8H,1H3,(H,15,16)
Definition date:	2018-09-11
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	2-[(4-methylphenyl)sulfanyl]pyridine-3-carboxylic acid

CXJ

CXJ
Name:	(2S)-(3,5-difluorophenyl)(hydroxy)acetic acid
Formula:	C8 H6 F2 O3
SMILES:	c1c(cc(F)cc1C(C(O)=O)O)F
InChi:	InChI=1S/C8H6F2O3/c9-5-1-4(2-6(10)3-5)7(11)8(12)13/h1-3,7,11H,(H,12,13)/t7-/m0/s1
Definition date:	2017-10-05
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	(2S)-(3,5-difluorophenyl)(hydroxy)acetic acid

CZD

CZD
Name:	(8S,11S,14S)-14-{[(2S)-4-amino-2-{[2-(4-tert-butylphenyl)-4-methylpyrimidine-5-carbonyl]amino}butanoyl](methyl)amino}-3,18-bis(2-aminoethoxy)-N-[(2Z)-2-iminoethyl]-11-methyl-10,13-dioxo-9,12-diazatricyclo[13.3.1.1~2,6~]icosa-1(19),2(20),3,5,15,17-hexaene-8-carboxamide
Formula:	C47 H61 N11 O7
SMILES:	c1(ncc(c(n1)C)C(NC(CCN)C(N(C)C4c2cc(c(cc2)OCCN)c3c(ccc(c3)CC(NC(C(C)NC4=O)=O)C(=O)NCC=N)OCCN)=O)=O)c5ccc(C(C)(C)C)cc5
InChi:	InChI=1S/C47H61N11O7/c1-27-35(26-53-41(54-27)30-8-11-32(12-9-30)47(3,4)5)43(60)56-36(15-16-48)46(63)58(6)40-31-10-14-39(65-22-19-51)34(25-31)33-23-29(7-13-38(33)64-21-18-50)24-37(44(61)52-20-17-49)57-42(59)28(2)55-45(40)62/h7-14,17,23,25-26,28,36-37,40,49H,15-16,18-22,24,48,50-51H2,1-6H3,(H,52,61)(H,55,62)(H,56,60)(H,57,59)/b49-17-/t28-,36-,37-,40-/m0/s1
Definition date:	2017-10-06
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	(8S,11S,14S)-14-{[(2S)-4-amino-2-{[2-(4-tert-butylphenyl)-4-methylpyrimidine-5-carbonyl]amino}butanoyl](methyl)amino}-3,18-bis(2-aminoethoxy)-N-[(2Z)-2-iminoethyl]-11-methyl-10,13-dioxo-9,12-diazatricyclo[13.3.1.1~2,6~]icosa-1(19),2(20),3,5,15,17-hexaene-8-carboxamide

D0G

D0G
Name:	(14S)-14-methylhexadecanoic acid
Formula:	C17 H34 O2
SMILES:	C(CCCCCCCCCCC(C)CC)CC(O)=O
InChi:	InChI=1S/C17H34O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)/t16-/m0/s1
Definition date:	2017-10-11
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	(14S)-14-methylhexadecanoic acid

DSJ

DSJ
Name:	1-(4-amino-2-hydroxyphenyl)ethan-1-one
Formula:	C8 H9 N O2
SMILES:	c1(O)cc(ccc1C(=O)C)N
InChi:	InChI=1S/C8H9NO2/c1-5(10)7-3-2-6(9)4-8(7)11/h2-4,11H,9H2,1H3
Definition date:	2017-11-02
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	1-(4-amino-2-hydroxyphenyl)ethan-1-one

D3B

D3B
Name:	1-(2,5-dimethylphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea
Formula:	C15 H17 N3 O4 S
SMILES:	Cc1ccc(C)c(NC(=O)Nc2cc(ccc2O)[S](N)(=O)=O)c1
InChi:	InChI=1S/C15H17N3O4S/c1-9-3-4-10(2)12(7-9)17-15(20)18-13-8-11(23(16,21)22)5-6-14(13)19/h3-8,19H,1-2H3,(H2,16,21,22)(H2,17,18,20)
Definition date:	2017-12-15
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	1-(2,5-dimethylphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea

P70

P70
Name:	(E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-phenylalanine
Formula:	C17 H19 N2 O7 P
SMILES:	C(=O)(O)C(N=Cc1c(c(C)ncc1COP(O)(O)=O)O)Cc2ccccc2
InChi:	InChI=1S/C17H19N2O7P/c1-11-16(20)14(13(8-18-11)10-26-27(23,24)25)9-19-15(17(21)22)7-12-5-3-2-4-6-12/h2-6,8-9,15,20H,7,10H2,1H3,(H,21,22)(H2,23,24,25)/b19-9+/t15-/m0/s1
Definition date:	2018-06-22
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	(E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-phenylalanine

E7Z

E7Z
Name:	1-methyl-5-oxidanyl-4-oxidanylidene-pyridine-2-carboxylic acid
Formula:	C7 H7 N O4
SMILES:	CN1C=C(O)C(=O)C=C1C(O)=O
InChi:	InChI=1S/C7H7NO4/c1-8-3-6(10)5(9)2-4(8)7(11)12/h2-3,10H,1H3,(H,11,12)
Definition date:	2018-02-27
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	1-methyl-5-oxidanyl-4-oxidanylidene-pyridine-2-carboxylic acid

EON

EON
Name:	1-(2-methoxyphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea
Formula:	C14 H15 N3 O5 S
SMILES:	COc1ccccc1NC(=O)Nc2cc(ccc2O)[S](N)(=O)=O
InChi:	InChI=1S/C14H15N3O5S/c1-22-13-5-3-2-4-10(13)16-14(19)17-11-8-9(23(15,20)21)6-7-12(11)18/h2-8,18H,1H3,(H2,15,20,21)(H2,16,17,19)
Definition date:	2018-04-05
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	1-(2-methoxyphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea

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