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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

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

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

6ZM

6ZM
Name:	1-{2-[(2,3-dihydro-1H-inden-2-yl)amino]-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl}ethan-1-one
Formula:	C18 H20 N4 O
SMILES:	C1N(C(=O)C)CCc4c1cnc(NC2Cc3c(C2)cccc3)n4
InChi:	InChI=1S/C18H20N4O/c1-12(23)22-7-6-17-15(11-22)10-19-18(21-17)20-16-8-13-4-2-3-5-14(13)9-16/h2-5,10,16H,6-9,11H2,1H3,(H,19,20,21)
Definition date:	2016-08-01
Last modified:	2016-08-05
Release date:	2016-08-10
Identifier:	1-{2-[(2,3-dihydro-1H-inden-2-yl)amino]-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl}ethan-1-one

6ZN

6ZN
Name:	6-(3-{2-[(2,3-dihydro-1H-inden-2-yl)amino]-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl}propanoyl)-1,3-benzoxazol-2(3H)-one
Formula:	C26 H25 N5 O3
SMILES:	c1c6c(ccc1C(CCN3Cc2cnc(nc2CC3)NC5Cc4ccccc4C5)=O)NC(=O)O6
InChi:	InChI=1S/C26H25N5O3/c32-23(18-5-6-22-24(13-18)34-26(33)30-22)8-10-31-9-7-21-19(15-31)14-27-25(29-21)28-20-11-16-3-1-2-4-17(16)12-20/h1-6,13-14,20H,7-12,15H2,(H,30,33)(H,27,28,29)
Definition date:	2016-08-01
Last modified:	2016-08-05
Release date:	2016-08-10
Identifier:	6-(3-{2-[(2,3-dihydro-1H-inden-2-yl)amino]-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl}propanoyl)-1,3-benzoxazol-2(3H)-one

6ZO

6ZO
Name:	(3,5-dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate
Formula:	C22 H21 Cl2 N3 O5
SMILES:	C(c1cc(cc(c1)Cl)Cl)OC(N4CCN(CCC(c3cc2OC(=O)Nc2cc3)=O)CC4)=O
InChi:	InChI=1S/C22H21Cl2N3O5/c23-16-9-14(10-17(24)12-16)13-31-22(30)27-7-5-26(6-8-27)4-3-19(28)15-1-2-18-20(11-15)32-21(29)25-18/h1-2,9-12H,3-8,13H2,(H,25,29)
Definition date:	2016-08-01
Last modified:	2016-08-05
Release date:	2016-08-10
Identifier:	(3,5-dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate

4Z1

4Z1
Name:	[2-(2,4-dichlorophenyl)hydrazinyl](oxo)acetic acid
Formula:	C8 H6 Cl2 N2 O3
SMILES:	c1c(cc(c(NNC(C(=O)O)=O)c1)Cl)Cl
InChi:	InChI=1S/C8H6Cl2N2O3/c9-4-1-2-6(5(10)3-4)11-12-7(13)8(14)15/h1-3,11H,(H,12,13)(H,14,15)
Definition date:	2015-06-29
Last modified:	2016-08-05
Release date:	2016-08-10
Identifier:	[2-(2,4-dichlorophenyl)hydrazinyl](oxo)acetic acid

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

5EJ

5EJ
Name:	1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-4-ethoxy-5-methylpyrimidin-2(1H)-one
Formula:	C12 H19 N2 O8 P
SMILES:	C(OC=1C(=CN(C(=O)N=1)C2CC(C(COP(=O)(O)O)O2)O)C)C
InChi:	InChI=1S/C12H19N2O8P/c1-3-20-11-7(2)5-14(12(16)13-11)10-4-8(15)9(22-10)6-21-23(17,18)19/h5,8-10,15H,3-4,6H2,1-2H3,(H2,17,18,19)/t8-,9+,10+/m0/s1
Definition date:	2015-09-16
Last modified:	2016-08-05
Release date:	2016-08-10
Identifier:	1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-4-ethoxy-5-methylpyrimidin-2(1H)-one

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

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

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

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

51R

51R
Name:	3-(trifluoromethyl)aniline
Formula:	C7 H6 F3 N
SMILES:	c1ccc(cc1C(F)(F)F)N
InChi:	InChI=1S/C7H6F3N/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4H,11H2
Definition date:	2015-07-13
Last modified:	2016-07-29
Release date:	2016-08-03
Identifier:	3-(trifluoromethyl)aniline

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