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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

6KA

6KA
Name:	N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-[(1S)-1-(3-methyl-1H-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
Formula:	C18 H17 Cl F N7 S
SMILES:	c1(c(c(F)ccc1)Cn2ccc(n2)Nc4sc(C(C)n3ccc(n3)C)nn4)Cl
InChi:	InChI=1S/C18H17ClFN7S/c1-11-6-9-27(24-11)12(2)17-22-23-18(28-17)21-16-7-8-26(25-16)10-13-14(19)4-3-5-15(13)20/h3-9,12H,10H2,1-2H3,(H,21,23,25)/t12-/m0/s1
Definition date:	2016-04-21
Last modified:	2016-08-05
Release date:	2016-08-10
Identifier:	N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-[(1S)-1-(3-methyl-1H-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine

6LN

6LN
Name:	ethane-1,2-dithiol
Formula:	C2 H6 S2
SMILES:	C(S)CS
InChi:	InChI=1S/C2H6S2/c3-1-2-4/h3-4H,1-2H2
Definition date:	2016-05-02
Last modified:	2016-08-05
Release date:	2016-08-10
Identifier:	ethane-1,2-dithiol

6MB

6MB
Name:	4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzene-1-sulfonamide
Formula:	C18 H18 N8 O4 S
SMILES:	c12nc(cnc1N=C(NC2=O)N)CNc3ccc(cc3)S(Nc4onc(c4C)C)(=O)=O
InChi:	InChI=1S/C18H18N8O4S/c1-9-10(2)25-30-17(9)26-31(28,29)13-5-3-11(4-6-13)20-7-12-8-21-15-14(22-12)16(27)24-18(19)23-15/h3-6,8,20,26H,7H2,1-2H3,(H3,19,21,23,24,27)
Definition date:	2016-05-05
Last modified:	2016-08-05
Release date:	2016-08-10
Identifier:	4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzene-1-sulfonamide

6MW

6MW
Name:	(2S,4S)-2-(pyridin-4-yl)-1,3-thiazolidine-4-carboxylic acid
Formula:	C9 H10 N2 O2 S
SMILES:	c1c(ccnc1)C2SCC(C(O)=O)N2
InChi:	InChI=1S/C9H10N2O2S/c12-9(13)7-5-14-8(11-7)6-1-3-10-4-2-6/h1-4,7-8,11H,5H2,(H,12,13)/t7-,8+/m1/s1
Definition date:	2016-05-09
Last modified:	2016-08-05
Release date:	2016-08-10
Identifier:	(2S,4S)-2-(pyridin-4-yl)-1,3-thiazolidine-4-carboxylic acid

6OK

6OK
Name:	6-amino-2-({2-[4-(2-hydroxyethyl)phenyl]ethyl}amino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
Formula:	C19 H20 N6 O2
SMILES:	c1c4c(cc2c1nc(n2)NCCc3ccc(cc3)CCO)N=C(NC4=O)N
InChi:	InChI=1S/C19H20N6O2/c20-18-22-14-10-16-15(9-13(14)17(27)25-18)23-19(24-16)21-7-5-11-1-3-12(4-2-11)6-8-26/h1-4,9-10,26H,5-8H2,(H2,21,23,24)(H3,20,22,25,27)
Definition date:	2016-05-13
Last modified:	2016-08-05
Release date:	2016-08-10
Identifier:	6-amino-2-({2-[4-(2-hydroxyethyl)phenyl]ethyl}amino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one

6P6

6P6
Name:	1-(4-phenylazanylquinazolin-7-yl)ethanone
Formula:	C16 H13 N3 O
SMILES:	CC(=O)c1ccc2c(Nc3ccccc3)ncnc2c1
InChi:	InChI=1S/C16H13N3O/c1-11(20)12-7-8-14-15(9-12)17-10-18-16(14)19-13-5-3-2-4-6-13/h2-10H,1H3,(H,17,18,19)
Definition date:	2016-05-31
Last modified:	2016-08-05
Release date:	2016-08-10
Identifier:	1-(4-phenylazanylquinazolin-7-yl)ethanone

6P8

6P8
Name:	~{N}-(4-phenylazanylquinazolin-7-yl)ethanamide
Formula:	C16 H14 N4 O
SMILES:	CC(=O)Nc1ccc2c(Nc3ccccc3)ncnc2c1
InChi:	InChI=1S/C16H14N4O/c1-11(21)19-13-7-8-14-15(9-13)17-10-18-16(14)20-12-5-3-2-4-6-12/h2-10H,1H3,(H,19,21)(H,17,18,20)
Definition date:	2016-05-31
Last modified:	2016-08-05
Release date:	2016-08-10
Identifier:	~{N}-(4-phenylazanylquinazolin-7-yl)ethanamide

6QN

6QN
Name:	~{N}-ethyl-4-oxidanyl-2-oxidanylidene-1~{H}-1,7-naphthyridine-3-carboxamide
Formula:	C11 H11 N3 O3
SMILES:	CCNC(=O)C1=C(O)c2ccncc2NC1=O
InChi:	InChI=1S/C11H11N3O3/c1-2-13-10(16)8-9(15)6-3-4-12-5-7(6)14-11(8)17/h3-5H,2H2,1H3,(H,13,16)(H2,14,15,17)
Definition date:	2016-05-24
Last modified:	2016-08-05
Release date:	2016-08-10
Identifier:	~{N}-ethyl-4-oxidanyl-2-oxidanylidene-1~{H}-1,7-naphthyridine-3-carboxamide

6SM

6SM
Name:	5-chloranylpyrimidine-4-carboxylic acid
Formula:	C5 H3 Cl N2 O2
SMILES:	OC(=O)c1ncncc1Cl
InChi:	InChI=1S/C5H3ClN2O2/c6-3-1-7-2-8-4(3)5(9)10/h1-2H,(H,9,10)
Definition date:	2016-06-15
Last modified:	2016-08-05
Release date:	2016-08-10
Identifier:	5-chloranylpyrimidine-4-carboxylic acid

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

IUL

IUL
Name:	4-[(4R)-7-methyl-2,5-bis(oxidanylidene)-1-[3-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydropyrimido[4,5-d]pyridazin-4-yl]benzenecarbonitrile
Formula:	C21 H16 F3 N5 O2
SMILES:	CN1CC2=C([CH](NC(=O)N2c3cccc(c3)C(F)(F)F)c4ccc(cc4)C#N)C(=O)N1
InChi:	InChI=1S/C21H16F3N5O2/c1-28-11-16-17(19(30)27-28)18(13-7-5-12(10-25)6-8-13)26-20(31)29(16)15-4-2-3-14(9-15)21(22,23)24/h2-9,18H,11H2,1H3,(H,26,31)(H,27,30)/t18-/m1/s1
Definition date:	2015-09-24
Last modified:	2016-07-29
Release date:	2016-08-03
Identifier:	4-[(4R)-7-methyl-2,5-bis(oxidanylidene)-1-[3-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydropyrimido[4,5-d]pyridazin-4-yl]benzenecarbonitrile

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

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

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