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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

6CY

6CY
Name:	5-{4-[3-(4-acetylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl}-2-methoxypyridine-3-carbonitrile
Formula:	C28 H24 N6 O3
SMILES:	C5N(C(=O)C)CCN(C(=O)c1cc(ccc1)c2ncnc4c2cc(c3cc(c(OC)nc3)C#N)cc4)C5
InChi:	InChI=1S/C28H24N6O3/c1-18(35)33-8-10-34(11-9-33)28(36)21-5-3-4-20(12-21)26-24-14-19(6-7-25(24)31-17-32-26)23-13-22(15-29)27(37-2)30-16-23/h3-7,12-14,16-17H,8-11H2,1-2H3
Definition date:	2016-03-15
Last modified:	2016-08-05
Release date:	2016-08-10
Identifier:	5-{4-[3-(4-acetylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl}-2-methoxypyridine-3-carbonitrile

6DC

6DC
Name:	N-{2-cyano-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide
Formula:	C19 H19 N5 O3 S
SMILES:	CCCS(=O)(=O)Nc1cccc(c1C#N)Nc2ccc3c(c2)C(N(C=N3)C)=O
InChi:	InChI=1S/C19H19N5O3S/c1-3-9-28(26,27)23-18-6-4-5-17(15(18)11-20)22-13-7-8-16-14(10-13)19(25)24(2)12-21-16/h4-8,10,12,22-23H,3,9H2,1-2H3
Definition date:	2016-03-17
Last modified:	2016-08-05
Release date:	2016-08-10
Identifier:	N-{2-cyano-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide

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

3V9

3V9
Name:	N-(1,3-benzodioxol-5-ylmethyl)-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
Formula:	C17 H25 N2 O9 P
SMILES:	O=P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCc1ccc2OCOc2c1
InChi:	InChI=1S/C17H25N2O9P/c1-17(2,9-28-29(23,24)25)15(21)16(22)18-6-5-14(20)19-8-11-3-4-12-13(7-11)27-10-26-12/h3-4,7,15,21H,5-6,8-10H2,1-2H3,(H,18,22)(H,19,20)(H2,23,24,25)/t15-/m0/s1
Definition date:	2014-11-12
Last modified:	2016-08-05
Release date:	2016-08-10
Identifier:	N-(1,3-benzodioxol-5-ylmethyl)-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide

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

6VZ

6VZ
Name:	(2~{S},4~{S})-1-[4-(aminomethyl)-3-methoxy-phenyl]carbonyl-4-[4-(2-cyclopropylethoxy)-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidin-7-yl]-~{N}-methyl-pyrrolidine-2-carboxamide
Formula:	C27 H36 N6 O4
SMILES:	CNC(=O)[CH]1C[CH](CN1C(=O)c2ccc(CN)c(OC)c2)N3CCc4c(C3)ncnc4OCCC5CC5
InChi:	InChI=1S/C27H36N6O4/c1-29-25(34)23-12-20(14-33(23)27(35)18-5-6-19(13-28)24(11-18)36-2)32-9-7-21-22(15-32)30-16-31-26(21)37-10-8-17-3-4-17/h5-6,11,16-17,20,23H,3-4,7-10,12-15,28H2,1-2H3,(H,29,34)/t20-,23-/m0/s1
Definition date:	2016-07-08
Last modified:	2016-08-05
Release date:	2016-08-10
Identifier:	(2~{S},4~{S})-1-[4-(aminomethyl)-3-methoxy-phenyl]carbonyl-4-[4-(2-cyclopropylethoxy)-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidin-7-yl]-~{N}-methyl-pyrrolidine-2-carboxamide

6WH

6WH
Name:	(2~{S},4~{S})-1-[4-(aminomethyl)-3-methoxy-phenyl]carbonyl-4-(4-cyclopropyl-1,2,3-triazol-1-yl)-~{N}-[(1~{S},2~{R})-2-phenylcyclohexyl]pyrrolidine-2-carboxamide
Formula:	C31 H38 N6 O3
SMILES:	COc1cc(ccc1CN)C(=O)N2C[CH](C[CH]2C(=O)N[CH]3CCCC[CH]3c4ccccc4)n5cc(nn5)C6CC6
InChi:	InChI=1S/C31H38N6O3/c1-40-29-15-22(13-14-23(29)17-32)31(39)36-18-24(37-19-27(34-35-37)21-11-12-21)16-28(36)30(38)33-26-10-6-5-9-25(26)20-7-3-2-4-8-20/h2-4,7-8,13-15,19,21,24-26,28H,5-6,9-12,16-18,32H2,1H3,(H,33,38)/t24-,25+,26-,28-/m0/s1
Definition date:	2016-07-11
Last modified:	2016-08-05
Release date:	2016-08-10
Identifier:	(2~{S},4~{S})-1-[4-(aminomethyl)-3-methoxy-phenyl]carbonyl-4-(4-cyclopropyl-1,2,3-triazol-1-yl)-~{N}-[(1~{S},2~{R})-2-phenylcyclohexyl]pyrrolidine-2-carboxamide

6XU

6XU
Name:	(2S)-4,4-difluoro-1-[[(4S)-4-(4-fluorophenyl)-5-methoxycarbonyl-4-methyl-2-(1,3-thiazol-2-yl)-1H-pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid
Formula:	C22 H21 F3 N4 O4 S
SMILES:	COC(=O)C1=C(CN2CC(F)(F)C[CH]2C(O)=O)NC(=N[C]1(C)c3ccc(F)cc3)c4sccn4
InChi:	InChI=1S/C22H21F3N4O4S/c1-21(12-3-5-13(23)6-4-12)16(20(32)33-2)14(27-17(28-21)18-26-7-8-34-18)10-29-11-22(24,25)9-15(29)19(30)31/h3-8,15H,9-11H2,1-2H3,(H,27,28)(H,30,31)/t15-,21-/m0/s1
Definition date:	2016-07-20
Last modified:	2016-08-05
Release date:	2016-08-10
Identifier:	(2~{S})-4,4-bis(fluoranyl)-1-[[(4~{S})-4-(4-fluorophenyl)-5-methoxycarbonyl-4-methyl-2-(1,3-thiazol-2-yl)-1~{H}-pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid

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