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4Z3

4Z3
Name:	(2E)-N-(2-bromophenyl)-2-(hydroxyimino)acetamide
Formula:	C8 H7 Br N2 O2
SMILES:	c1cc(c(NC([C@H]=NO)=O)cc1)Br
InChi:	InChI=1S/C8H7BrN2O2/c9-6-3-1-2-4-7(6)11-8(12)5-10-13/h1-5,13H,(H,11,12)/b10-5+
Definition date:	2015-06-29
Last modified:	2016-08-05
Release date:	2016-08-10
Identifier:	(2E)-N-(2-bromophenyl)-2-(hydroxyimino)acetamide

4Z4

4Z4
Name:	2,4-dichloro-5-fluorobenzoic acid
Formula:	C7 H3 Cl2 F O2
SMILES:	c1c(c(C(=O)O)cc(c1Cl)F)Cl
InChi:	InChI=1S/C7H3Cl2FO2/c8-4-2-5(9)6(10)1-3(4)7(11)12/h1-2H,(H,11,12)
Definition date:	2015-06-29
Last modified:	2016-08-05
Release date:	2016-08-10
Identifier:	2,4-dichloro-5-fluorobenzoic acid

4Z9

4Z9
Name:	(2R)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid
Formula:	C11 H11 N O3
SMILES:	c12c(c(CC(C(=O)O)O)cn1)cccc2
InChi:	InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)/t10-/m1/s1
Definition date:	2015-06-30
Last modified:	2016-08-05
Release date:	2016-08-10
Identifier:	(2R)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid

4ZA

4ZA
Name:	6H-thieno[2,3-b]pyrrole-5-carboxylic acid
Formula:	C7 H5 N O2 S
SMILES:	c12nc(C(O)=O)cc1ccs2
InChi:	InChI=1S/C7H5NO2S/c9-7(10)5-3-4-1-2-11-6(4)8-5/h1-3,8H,(H,9,10)
Definition date:	2015-06-30
Last modified:	2016-08-05
Release date:	2016-08-10
Identifier:	6H-thieno[2,3-b]pyrrole-5-carboxylic acid

4ZC

4ZC
Name:	5-chloro-2-hydroxybenzonitrile
Formula:	C7 H4 Cl N O
SMILES:	Oc1c(cc(cc1)Cl)C#N
InChi:	InChI=1S/C7H4ClNO/c8-6-1-2-7(10)5(3-6)4-9/h1-3,10H
Definition date:	2015-07-01
Last modified:	2016-08-05
Release date:	2016-08-10
Identifier:	5-chloro-2-hydroxybenzonitrile

4ZD

4ZD
Name:	(2E)-3-(phenylsulfanyl)prop-2-enoic acid
Formula:	C9 H8 O2 S
SMILES:	c1ccc(S[C@H]=CC(=O)O)cc1
InChi:	InChI=1S/C9H8O2S/c10-9(11)6-7-12-8-4-2-1-3-5-8/h1-7H,(H,10,11)
Definition date:	2015-07-01
Last modified:	2016-08-05
Release date:	2016-08-10
Identifier:	(2E)-3-(phenylsulfanyl)prop-2-enoic acid

4ZF

4ZF
Name:	(5E)-5-(3H-indol-3-ylidene)-2,5-dihydro-1H-pyrazole-3-carboxylic acid
Formula:	C12 H9 N3 O2
SMILES:	C=2C(c1c(cccc1)N=2)=C3/C=C(C(=O)O)NN3
InChi:	InChI=1S/C12H9N3O2/c16-12(17)11-5-10(14-15-11)8-6-13-9-4-2-1-3-7(8)9/h1-6,14-15H,(H,16,17)/b10-8-
Definition date:	2015-07-01
Last modified:	2016-08-05
Release date:	2016-08-10
Identifier:	(5E)-5-(3H-indol-3-ylidene)-2,5-dihydro-1H-pyrazole-3-carboxylic acid

4ZU

4ZU
Name:	6-bromanyl-1H-indole-2-carboxylic acid
Formula:	C9 H6 Br N O2
SMILES:	OC(=O)c1[nH]c2cc(Br)ccc2c1
InChi:	InChI=1S/C9H6BrNO2/c10-6-2-1-5-3-8(9(12)13)11-7(5)4-6/h1-4,11H,(H,12,13)
Definition date:	2015-07-02
Last modified:	2016-08-05
Release date:	2016-08-10
Identifier:	6-bromanyl-1H-indole-2-carboxylic acid

4ZV

4ZV
Name:	1H-indole-5-carboxylic acid
Formula:	C9 H7 N O2
SMILES:	OC(=O)c1ccc2[nH]ccc2c1
InChi:	InChI=1S/C9H7NO2/c11-9(12)7-1-2-8-6(5-7)3-4-10-8/h1-5,10H,(H,11,12)
Definition date:	2015-07-02
Last modified:	2016-08-05
Release date:	2016-08-10
Identifier:	1H-indole-5-carboxylic acid

50C

50C
Name:	3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-amine
Formula:	C10 H10 F N3
SMILES:	c2c(ccc(c1c(C)c(N)nn1)c2)F
InChi:	InChI=1S/C10H10FN3/c1-6-9(13-14-10(6)12)7-2-4-8(11)5-3-7/h2-5H,1H3,(H3,12,13,14)
Definition date:	2015-07-06
Last modified:	2016-08-05
Release date:	2016-08-10
Identifier:	3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-amine

52F

52F
Name:	3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid
Formula:	C11 H10 N2 O3
SMILES:	c2ccc1NC(=O)C(CCC(O)=O)=Nc1c2
InChi:	InChI=1S/C11H10N2O3/c14-10(15)6-5-9-11(16)13-8-4-2-1-3-7(8)12-9/h1-4H,5-6H2,(H,13,16)(H,14,15)
Definition date:	2015-07-15
Last modified:	2016-08-05
Release date:	2016-08-10
Identifier:	3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid

55L

55L
Name:	(R)-4-(((S)-1-(((S)-1-amino-4-carboxy-1-oxobutan-2-yl)amino)-4-carboxy-1-oxobutan-2-yl)amino)-3-((3-(3'-chloro-[1,1'-biphenyl]-4-yl)isoxazol-5-yl)methyl)-4-oxobutanoate
Formula:	C30 H31 Cl N4 O10
SMILES:	O=C(O)CCC(C(=O)N)NC(=O)C(CCC(O)=O)NC(=O)C(Cc1onc(c1)c2ccc(cc2)c3cccc(c3)Cl)CC(O)=O
InChi:	InChI=1S/C30H31ClN4O10/c31-20-3-1-2-18(12-20)16-4-6-17(7-5-16)24-15-21(45-35-24)13-19(14-27(40)41)29(43)34-23(9-11-26(38)39)30(44)33-22(28(32)42)8-10-25(36)37/h1-7,12,15,19,22-23H,8-11,13-14H2,(H2,32,42)(H,33,44)(H,34,43)(H,36,37)(H,38,39)(H,40,41)/t19-,22+,23+/m1/s1
Definition date:	2015-07-29
Last modified:	2016-08-05
Release date:	2016-08-10
Identifier:	N-[(2R)-3-carboxy-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-L-alpha-glutamyl-L-alpha-glutamine

VRT

VRT
Name:	2'-(L-NORVALYL)AMINO-2'-DEOXYADENOSINE
Formula:	C15 H23 N7 O4
SMILES:	CCC[CH](N)C(=O)N[CH]1[CH](O)[CH](CO)O[CH]1n2cnc3c(N)ncnc23
InChi:	InChI=1S/C15H23N7O4/c1-2-3-7(16)14(25)21-9-11(24)8(4-23)26-15(9)22-6-20-10-12(17)18-5-19-13(10)22/h5-9,11,15,23-24H,2-4,16H2,1H3,(H,21,25)(H2,17,18,19)/t7-,8+,9+,11+,15+/m0/s1
Definition date:	2015-11-23
Last modified:	2016-07-29
Release date:	2016-08-03
Identifier:	N-[(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]-2-azanyl-pentanamide

SWX

SWX
Name:	(4-pyrimidin-5-ylphenyl)methanol
Formula:	C11 H10 N2 O
SMILES:	OCc1ccc(cc1)c2cncnc2
InChi:	InChI=1S/C11H10N2O/c14-7-9-1-3-10(4-2-9)11-5-12-8-13-6-11/h1-6,8,14H,7H2
Definition date:	2016-05-05
Last modified:	2016-07-29
Release date:	2016-08-03
Identifier:	(4-pyrimidin-5-ylphenyl)methanol

ZBS

ZBS
Name:	2-phenyl-~{N}-[5-[(1~{S},3~{S})-3-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]ethanamide
Formula:	C26 H26 N6 O2 S2
SMILES:	O=C(Cc1ccccc1)Nc2sc(nn2)[CH]3CCC[CH](C3)c4sc(NC(=O)Cc5ccccc5)nn4
InChi:	InChI=1S/C26H26N6O2S2/c33-21(14-17-8-3-1-4-9-17)27-25-31-29-23(35-25)19-12-7-13-20(16-19)24-30-32-26(36-24)28-22(34)15-18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,27,31,33)(H,28,32,34)/t19-,20-/m0/s1
Definition date:	2016-06-30
Last modified:	2016-07-29
Release date:	2016-08-03
Identifier:	2-phenyl-~{N}-[5-[(1~{S},3~{S})-3-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]ethanamide

A7W

A7W
Name:	8-AMINO-3-QUINOLINOL
Formula:	C9 H8 N2 O
SMILES:	Nc1cccc2cc(O)cnc12
InChi:	InChI=1S/C9H8N2O/c10-8-3-1-2-6-4-7(12)5-11-9(6)8/h1-5,12H,10H2
Definition date:	2016-05-04
Last modified:	2016-07-29
Release date:	2016-08-03
Identifier:	8-azanylquinolin-3-ol

63J

63J
Name:	2-(pyridin-2-yl)-N-(5-{4-[6-({[3-(trifluoromethoxy)phenyl]acetyl}amino)pyridazin-3-yl]butyl}-1,3,4-thiadiazol-2-yl)acetamide
Formula:	C26 H24 F3 N7 O3 S
SMILES:	C(c1ncccc1)C(Nc4nnc(CCCCc2nnc(cc2)NC(Cc3cccc(c3)OC(F)(F)F)=O)s4)=O
InChi:	InChI=1S/C26H24F3N7O3S/c27-26(28,29)39-20-9-5-6-17(14-20)15-22(37)31-21-12-11-18(33-34-21)7-1-2-10-24-35-36-25(40-24)32-23(38)16-19-8-3-4-13-30-19/h3-6,8-9,11-14H,1-2,7,10,15-16H2,(H,31,34,37)(H,32,36,38)
Definition date:	2016-01-19
Last modified:	2016-07-29
Release date:	2016-08-03
Identifier:	2-(pyridin-2-yl)-N-(5-{4-[6-({[3-(trifluoromethoxy)phenyl]acetyl}amino)pyridazin-3-yl]butyl}-1,3,4-thiadiazol-2-yl)acetamide

56T

56T
Name:	2-(furan-2-yl)ethanamine
Formula:	C6 H9 N O
SMILES:	c1c(CCN)occ1
InChi:	InChI=1S/C6H9NO/c7-4-3-6-2-1-5-8-6/h1-2,5H,3-4,7H2
Definition date:	2015-08-06
Last modified:	2016-07-29
Release date:	2016-08-03
Identifier:	2-(furan-2-yl)ethanamine

56U

56U
Name:	2-(difluoromethyl)-1H-benzimidazole
Formula:	C8 H6 F2 N2
SMILES:	c2c1c(nc(C(F)F)n1)ccc2
InChi:	InChI=1S/C8H6F2N2/c9-7(10)8-11-5-3-1-2-4-6(5)12-8/h1-4,7H,(H,11,12)
Definition date:	2015-08-06
Last modified:	2016-07-29
Release date:	2016-08-03
Identifier:	2-(difluoromethyl)-1H-benzimidazole

56V

56V
Name:	(3R)-2,3-dihydro[1,3]thiazolo[3,2-a]benzimidazol-3-ol
Formula:	C9 H8 N2 O S
SMILES:	c2c1nc3SCC(n3c1ccc2)O
InChi:	InChI=1S/C9H8N2OS/c12-8-5-13-9-10-6-3-1-2-4-7(6)11(8)9/h1-4,8,12H,5H2/t8-/m1/s1
Definition date:	2015-08-06
Last modified:	2016-07-29
Release date:	2016-08-03
Identifier:	(3R)-2,3-dihydro[1,3]thiazolo[3,2-a]benzimidazol-3-ol

5IM

5IM
Name:	2-(1-PIPERIDINYL)-1,3-THIAZOL-4-AMINE
Formula:	C8 H13 N3 S
SMILES:	Nc1csc(n1)N2CCCCC2
InChi:	InChI=1S/C8H13N3S/c9-7-6-12-8(10-7)11-4-2-1-3-5-11/h6H,1-5,9H2
Definition date:	2016-05-04
Last modified:	2016-07-29
Release date:	2016-08-03
Identifier:	2-piperidin-1-yl-1,3-thiazol-4-amine

6VD

6VD
Name:	2-ETHYL-4(1H)-QUINOLINONE
Formula:	C11 H11 N O
SMILES:	CCc1cc(O)c2ccccc2n1
InChi:	InChI=1S/C11H11NO/c1-2-8-7-11(13)9-5-3-4-6-10(9)12-8/h3-7H,2H2,1H3,(H,12,13)
Definition date:	2016-05-04
Last modified:	2016-07-29
Release date:	2016-08-03
Identifier:	2-ethylquinolin-4-ol

6F8

6F8
Name:	3-[(8Z,11Z)-pentadeca-8,11-dien-1-yl]benzene-1,2-diol
Formula:	C21 H32 O2
SMILES:	CCC[C@H]=[C@H]C[C@H]=[C@H]CCCCCCCc1cccc(c1O)O
InChi:	InChI=1S/C21H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(22)21(19)23/h4-5,7-8,15,17-18,22-23H,2-3,6,9-14,16H2,1H3/b5-4-,8-7-
Definition date:	2016-03-29
Last modified:	2016-07-29
Release date:	2016-08-03
Identifier:	3-[(8Z,11Z)-pentadeca-8,11-dien-1-yl]benzene-1,2-diol

6FM

6FM
Name:	2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(dihydrogen phosphate)
Formula:	C12 H13 F N5 O6 P
SMILES:	c21n(cnc1c(nc(n2)F)N)C3CC(C(C#C)(O3)COP(O)(=O)O)O
InChi:	InChI=1S/C12H13FN5O6P/c1-2-12(4-23-25(20,21)22)6(19)3-7(24-12)18-5-15-8-9(14)16-11(13)17-10(8)18/h1,5-7,19H,3-4H2,(H2,14,16,17)(H2,20,21,22)/t6-,7+,12+/m0/s1
Definition date:	2016-03-30
Last modified:	2016-07-29
Release date:	2016-08-03
Identifier:	2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(dihydrogen phosphate)

6FN

6FN
Name:	2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(tetrahydrogen triphosphate)
Formula:	C12 H15 F N5 O12 P3
SMILES:	c21n(cnc1c(nc(n2)F)N)C3CC(C(COP(O)(OP(=O)(O)OP(O)(O)=O)=O)(C#C)O3)O
InChi:	InChI=1S/C12H15FN5O12P3/c1-2-12(4-27-32(23,24)30-33(25,26)29-31(20,21)22)6(19)3-7(28-12)18-5-15-8-9(14)16-11(13)17-10(8)18/h1,5-7,19H,3-4H2,(H,23,24)(H,25,26)(H2,14,16,17)(H2,20,21,22)/t6-,7+,12+/m0/s1
Definition date:	2016-03-30
Last modified:	2016-07-29
Release date:	2016-08-03
Identifier:	2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(tetrahydrogen triphosphate)

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