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8TM

8TM
Name:	N-[4-(TRIFLUOROMETHYLSULFANYL)PHENYL]QUINAZOLIN-4-AMINE
Formula:	C15 H10 F3 N3 S
SMILES:	FC(F)(F)Sc1ccc(Nc2ncnc3ccccc23)cc1
InChi:	InChI=1S/C15H10F3N3S/c16-15(17,18)22-11-7-5-10(6-8-11)21-14-12-3-1-2-4-13(12)19-9-20-14/h1-9H,(H,19,20,21)
Definition date:	2015-03-08
Last modified:	2015-05-08
Release date:	2015-05-13
Identifier:	N-[4-(trifluoromethylsulfanyl)phenyl]quinazolin-4-amine

DKG

DKG
Name:	4-methylpyridazine
Formula:	C5 H6 N2
SMILES:	Cc1cnncc1
InChi:	InChI=1S/C5H6N2/c1-5-2-3-6-7-4-5/h2-4H,1H3
Definition date:	2015-03-17
Last modified:	2015-05-08
Release date:	2015-05-13
Identifier:	4-methylpyridazine

DUL

DUL
Name:	5-(3-ethylsulfanylphenyl)thiophene-2-carboxamide
Formula:	C13 H13 N O S2
SMILES:	CCSc1cccc(c1)c2sc(cc2)C(N)=O
InChi:	InChI=1S/C13H13NOS2/c1-2-16-10-5-3-4-9(8-10)11-6-7-12(17-11)13(14)15/h3-8H,2H2,1H3,(H2,14,15)
Definition date:	2015-03-09
Last modified:	2015-05-08
Release date:	2015-05-13
Identifier:	5-(3-ethylsulfanylphenyl)thiophene-2-carboxamide

8NY

8NY
Name:	5-iodanyl-1H-indazole
Formula:	C7 H5 I N2
SMILES:	Ic1ccc2[nH]ncc2c1
InChi:	InChI=1S/C7H5IN2/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10)
Definition date:	2015-03-06
Last modified:	2015-05-08
Release date:	2015-05-13
Identifier:	5-iodanyl-1H-indazole

GZP

GZP
Name:	1-(3-PHENYL-1H-PYRAZOL-5-YL)CYCLOPENTANOL
Formula:	C14 H16 N2 O
SMILES:	OC1(CCCC1)c2cc([nH]n2)c3ccccc3
InChi:	InChI=1S/C14H16N2O/c17-14(8-4-5-9-14)13-10-12(15-16-13)11-6-2-1-3-7-11/h1-3,6-7,10,17H,4-5,8-9H2,(H,15,16)
Definition date:	2015-03-08
Last modified:	2015-05-08
Release date:	2015-05-13
Identifier:	1-(5-phenyl-1H-pyrazol-3-yl)cyclopentan-1-ol

I5T

I5T
Name:	4-oxidanylidene-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
Formula:	C23 H24 N2 O3
SMILES:	O=C1CC2(CCN(CC2)C(=O)N[CH]3C[CH]3c4ccccc4)Oc5ccccc15
InChi:	InChI=1S/C23H24N2O3/c26-20-15-23(28-21-9-5-4-8-17(20)21)10-12-25(13-11-23)22(27)24-19-14-18(19)16-6-2-1-3-7-16/h1-9,18-19H,10-15H2,(H,24,27)/t18-,19+/m1/s1
Definition date:	2015-03-08
Last modified:	2015-05-08
Release date:	2015-05-13
Identifier:	4-oxidanylidene-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide

4P0

4P0
Name:	1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone
Formula:	C10 H15 N O
SMILES:	C(C)(C=1C2CCC(CCC=1)N2)=O
InChi:	InChI=1S/C10H15NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,8,10-11H,2-3,5-6H2,1H3/t8-,10-/m1/s1
Definition date:	2015-04-30
Last modified:	2015-05-08
Release date:	2015-05-13
Identifier:	1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone

4P8

4P8
Name:	5-(2-chlorobenzyl)-2-hydroxy-3-nitrobenzaldehyde
Formula:	C14 H10 Cl N O4
SMILES:	O=Cc1c(O)c([N+](=O)[O-])cc(c1)Cc2c(Cl)cccc2
InChi:	InChI=1S/C14H10ClNO4/c15-12-4-2-1-3-10(12)5-9-6-11(8-17)14(18)13(7-9)16(19)20/h1-4,6-8,18H,5H2
Definition date:	2015-05-01
Last modified:	2015-05-08
Release date:	2015-05-13
Identifier:	5-(2-chlorobenzyl)-2-hydroxy-3-nitrobenzaldehyde

4P9

4P9
Name:	4-{(E)-[2-(4-chlorophenyl)hydrazinylidene]methyl}benzene-1,2,3-triol
Formula:	C13 H11 Cl N2 O3
SMILES:	c1cc(Cl)ccc1NN=[C@H]c2c(c(c(cc2)O)O)O
InChi:	InChI=1S/C13H11ClN2O3/c14-9-2-4-10(5-3-9)16-15-7-8-1-6-11(17)13(19)12(8)18/h1-7,16-19H/b15-7+
Definition date:	2015-05-01
Last modified:	2015-05-08
Release date:	2015-05-13
Identifier:	4-{(E)-[2-(4-chlorophenyl)hydrazinylidene]methyl}benzene-1,2,3-triol

D59

D59
Name:	N-(3,5-dichlorophenyl)-2-methyl-3-nitrobenzamide
Formula:	C14 H10 Cl2 N2 O3
SMILES:	Clc2cc(NC(=O)c1cccc([N+]([O-])=O)c1C)cc(Cl)c2
InChi:	InChI=1S/C14H10Cl2N2O3/c1-8-12(3-2-4-13(8)18(20)21)14(19)17-11-6-9(15)5-10(16)7-11/h2-7H,1H3,(H,17,19)
Definition date:	2014-12-24
Last modified:	2015-05-08
Release date:	2015-05-13
Identifier:	N-(3,5-dichlorophenyl)-2-methyl-3-nitrobenzamide

JF6

JF6
Name:	4-PHENYL-1,2,5-OXADIAZOL-3-AMINE
Formula:	C8 H7 N3 O
SMILES:	n1onc(N)c1c2ccccc2
InChi:	InChI=1S/C8H7N3O/c9-8-7(10-12-11-8)6-4-2-1-3-5-6/h1-5H,(H2,9,11)
Definition date:	2015-02-11
Last modified:	2015-05-08
Release date:	2015-05-13
Identifier:	4-phenyl-1,2,5-oxadiazol-3-amine

JRB

JRB
Name:	2-PIPERAZIN-1-YL-ANILINE
Formula:	C10 H15 N3
SMILES:	c1c(c(ccc1)N2CCNCC2)N
InChi:	InChI=1S/C10H15N3/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13/h1-4,12H,5-8,11H2
Definition date:	2014-12-04
Last modified:	2015-05-08
Release date:	2015-05-13
Identifier:	2-(piperazin-1-yl)aniline

XPF

XPF
Name:	N-{(3S,4S)-4-[4-(5-cyanothiophen-2-yl)phenoxy]tetrahydrofuran-3-yl}propane-2-sulfonamide
Formula:	C18 H20 N2 O4 S2
SMILES:	O=S(=O)(NC3COCC3Oc2ccc(c1sc(C#N)cc1)cc2)C(C)C
InChi:	InChI=1S/C18H20N2O4S2/c1-12(2)26(21,22)20-16-10-23-11-17(16)24-14-5-3-13(4-6-14)18-8-7-15(9-19)25-18/h3-8,12,16-17,20H,10-11H2,1-2H3/t16-,17+/m0/s1
Definition date:	2014-12-02
Last modified:	2015-05-01
Release date:	2015-05-06
Identifier:	N-{(3S,4S)-4-[4-(5-cyanothiophen-2-yl)phenoxy]tetrahydrofuran-3-yl}propane-2-sulfonamide

OJD

OJD
Name:	(4R)-4-(2-phenylethyl)pyrrolidin-2-one
Formula:	C12 H15 N O
SMILES:	O=C2NCC(CCc1ccccc1)C2
InChi:	InChI=1S/C12H15NO/c14-12-8-11(9-13-12)7-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,13,14)/t11-/m1/s1
Definition date:	2015-01-22
Last modified:	2015-05-01
Release date:	2015-05-06
Identifier:	(4R)-4-(2-phenylethyl)pyrrolidin-2-one

OMA

OMA
Name:	10-{(1R,2R)-2-[(2E)-hex-2-en-1-yl]cyclopropyl}decanoic acid
Formula:	C19 H34 O2
SMILES:	O=C(O)CCCCCCCCCC1CC1C/C=C/CCC
InChi:	InChI=1S/C19H34O2/c1-2-3-4-10-13-17-16-18(17)14-11-8-6-5-7-9-12-15-19(20)21/h4,10,17-18H,2-3,5-9,11-16H2,1H3,(H,20,21)/b10-4+/t17-,18+/m0/s1
Definition date:	2014-05-07
Last modified:	2015-05-01
Release date:	2015-05-06
Identifier:	10-{(1R,2R)-2-[(2E)-hex-2-en-1-yl]cyclopropyl}decanoic acid

0DA

0DA
Name:	2'-DEOXY-L-RIBO-FURANOSYL ADENOSINE-5'-MONOPHOSPHATE
Formula:	C10 H14 N5 O6 P
SMILES:	O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O
InChi:	InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m1/s1
Definition date:	2009-07-27
Last modified:	2015-05-01
Release date:	2015-05-06
Identifier:	9-(2-deoxy-5-O-phosphono-beta-L-erythro-pentofuranosyl)-9H-purin-6-amine

865

865
Name:	7-[2-(1H-imidazol-1-yl)-4-methylpyridin-3-yl]-3-[3-(naphthalen-1-yloxy)propyl]-1-[2-oxo-2-(piperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid
Formula:	C37 H36 N6 O4
SMILES:	O=C(N1CCNCC1)Cn5c4c(c3c(ccnc3n2ccnc2)C)cccc4c(c5C(=O)O)CCCOc7c6ccccc6ccc7
InChi:	InChI=1S/C37H36N6O4/c1-25-14-15-40-36(42-21-18-39-24-42)33(25)30-11-5-10-28-29(12-6-22-47-31-13-4-8-26-7-2-3-9-27(26)31)35(37(45)46)43(34(28)30)23-32(44)41-19-16-38-17-20-41/h2-5,7-11,13-15,18,21,24,38H,6,12,16-17,19-20,22-23H2,1H3,(H,45,46)
Definition date:	2014-10-10
Last modified:	2015-05-01
Release date:	2015-05-06
Identifier:	7-[2-(1H-imidazol-1-yl)-4-methylpyridin-3-yl]-3-[3-(naphthalen-1-yloxy)propyl]-1-[2-oxo-2-(piperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid

35T

35T
Name:	{(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1S)-1-cyclopropyl-2-(pyrrolidin-1-ylsulfonyl)ethyl]-3-methyl-2-oxopiperidin-3-yl}acetic acid
Formula:	C29 H34 Cl2 N2 O5 S
SMILES:	O=S(=O)(N1CCCC1)CC(N4C(=O)C(C)(CC(=O)O)CC(c2cccc(Cl)c2)C4c3ccc(Cl)cc3)C5CC5
InChi:	InChI=1S/C29H34Cl2N2O5S/c1-29(17-26(34)35)16-24(21-5-4-6-23(31)15-21)27(20-9-11-22(30)12-10-20)33(28(29)36)25(19-7-8-19)18-39(37,38)32-13-2-3-14-32/h4-6,9-12,15,19,24-25,27H,2-3,7-8,13-14,16-18H2,1H3,(H,34,35)/t24-,25-,27-,29-/m1/s1
Definition date:	2014-06-20
Last modified:	2015-05-01
Release date:	2015-05-06
Identifier:	{(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1S)-1-cyclopropyl-2-(pyrrolidin-1-ylsulfonyl)ethyl]-3-methyl-2-oxopiperidin-3-yl}acetic acid

3R4

3R4
Name:	3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid
Formula:	C9 H4 Cl F O2 S
SMILES:	O=C(O)c2sc1cc(F)ccc1c2Cl
InChi:	InChI=1S/C9H4ClFO2S/c10-7-5-2-1-4(11)3-6(5)14-8(7)9(12)13/h1-3H,(H,12,13)
Definition date:	2014-10-13
Last modified:	2015-05-01
Release date:	2015-05-06
Identifier:	3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid

3R6

3R6
Name:	2-hydroxy-5-(methylsulfanyl)benzoic acid
Formula:	C8 H8 O3 S
SMILES:	O=C(O)c1cc(SC)ccc1O
InChi:	InChI=1S/C8H8O3S/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11)
Definition date:	2014-10-13
Last modified:	2015-05-01
Release date:	2015-05-06
Identifier:	2-hydroxy-5-(methylsulfanyl)benzoic acid

3R7

3R7
Name:	4-ethenyl-2-[(phenylsulfonyl)amino]benzoic acid
Formula:	C15 H13 N O4 S
SMILES:	O=S(=O)(Nc1cc(/C=C)ccc1C(=O)O)c2ccccc2
InChi:	InChI=1S/C15H13NO4S/c1-2-11-8-9-13(15(17)18)14(10-11)16-21(19,20)12-6-4-3-5-7-12/h2-10,16H,1H2,(H,17,18)
Definition date:	2014-10-13
Last modified:	2015-05-01
Release date:	2015-05-06
Identifier:	4-ethenyl-2-[(phenylsulfonyl)amino]benzoic acid

3SG

3SG
Name:	methyl 3-[({2'-(aminomethyl)-5'-[(3-fluoropyridin-4-yl)carbamoyl]biphenyl-3-yl}carbonyl)amino]-4-fluorobenzoate
Formula:	C28 H22 F2 N4 O4
SMILES:	Fc4c(NC(=O)c3ccc(c(c2cccc(C(=O)Nc1cc(C(=O)OC)ccc1F)c2)c3)CN)ccnc4
InChi:	InChI=1S/C28H22F2N4O4/c1-38-28(37)19-7-8-22(29)25(13-19)34-26(35)17-4-2-3-16(11-17)21-12-18(5-6-20(21)14-31)27(36)33-24-9-10-32-15-23(24)30/h2-13,15H,14,31H2,1H3,(H,34,35)(H,32,33,36)
Definition date:	2014-10-17
Last modified:	2015-05-01
Release date:	2015-05-06
Identifier:	methyl 3-[({2'-(aminomethyl)-5'-[(3-fluoropyridin-4-yl)carbamoyl]biphenyl-3-yl}carbonyl)amino]-4-fluorobenzoate

3AE

3AE
Name:	4-(trifluoromethyl)benzoic acid
Formula:	C8 H5 F3 O2
SMILES:	FC(F)(F)c1ccc(C(=O)O)cc1
InChi:	InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)
Definition date:	2014-07-16
Last modified:	2015-05-01
Release date:	2015-05-06
Identifier:	4-(trifluoromethyl)benzoic acid

3AQ

3AQ
Name:	(4-hydroxyphenyl)acetonitrile
Formula:	C8 H7 N O
SMILES:	N#CCc1ccc(O)cc1
InChi:	InChI=1S/C8H7NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5H2
Definition date:	2014-07-16
Last modified:	2015-05-01
Release date:	2015-05-06
Identifier:	(4-hydroxyphenyl)acetonitrile

3AV

3AV
Name:	6-methyl-2H-chromen-2-one
Formula:	C10 H8 O2
SMILES:	O=C2Oc1ccc(cc1C=C2)C
InChi:	InChI=1S/C10H8O2/c1-7-2-4-9-8(6-7)3-5-10(11)12-9/h2-6H,1H3
Definition date:	2014-07-16
Last modified:	2015-05-01
Release date:	2015-05-06
Identifier:	6-methyl-2H-chromen-2-one

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