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KWJ

KWJ
Name:	(7R)-7-methyl-2-[(3-oxo-2,3-dihydro-1H-indazol-6-yl)amino]-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one
Formula:	C20 H17 N7 O2
SMILES:	C4(=O)C(C)N(CC#C)c3nc(Nc1cc2c(cc1)C(=O)NN2)ncc3N4CC#C
InChi:	InChI=1S/C20H17N7O2/c1-4-8-26-12(3)19(29)27(9-5-2)16-11-21-20(23-17(16)26)22-13-6-7-14-15(10-13)24-25-18(14)28/h1-2,6-7,10-12H,8-9H2,3H3,(H,21,22,23)(H2,24,25,28)/t12-/m1/s1
Definition date:	2019-01-21
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	(7R)-7-methyl-2-[(3-oxo-2,3-dihydro-1H-indazol-6-yl)amino]-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one

KXP

KXP
Name:	(2S)-1-{[(R)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl icosa-5,8,11,14-tetraenoate
Formula:	C47 H85 O19 P3
SMILES:	C(OC(CCCCCCCCCCCCCCCCC)=O)C(COP(=O)(O)OC1C(O)C(C(C(C1O)OP(O)(O)=O)OP(O)(O)=O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC
InChi:	InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17,19,22,24,28,30,39,42-47,50-52H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/t39-,42+,43-,44-,45+,46+,47+/m0/s1
Definition date:	2019-01-23
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	(2S)-1-{[(R)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl icosa-5,8,11,14-tetraenoate

KXS

KXS
Name:	(1R,2S,5R)-N-(4-methoxyphenyl)-5-methyl-2-(propan-2-yl)cyclohexane-1-carboxamide
Formula:	C18 H27 N O2
SMILES:	c1c(ccc(c1)OC)NC(C2C(CCC(C)C2)C(C)C)=O
InChi:	InChI=1S/C18H27NO2/c1-12(2)16-10-5-13(3)11-17(16)18(20)19-14-6-8-15(21-4)9-7-14/h6-9,12-13,16-17H,5,10-11H2,1-4H3,(H,19,20)/t13-,16+,17-/m1/s1
Definition date:	2019-01-23
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	(1R,2S,5R)-N-(4-methoxyphenyl)-5-methyl-2-(propan-2-yl)cyclohexane-1-carboxamide

HQB

HQB
Name:	~{N}-methyl-10-nitro-pyrido[3,4-g]quinazolin-2-amine
Formula:	C12 H9 N5 O2
SMILES:	CNc1ncc2cc3cnccc3c(c2n1)[N+]([O-])=O
InChi:	InChI=1S/C12H9N5O2/c1-13-12-15-6-8-4-7-5-14-3-2-9(7)11(17(18)19)10(8)16-12/h2-6H,1H3,(H,13,15,16)
Definition date:	2018-12-16
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	~{N}-methyl-10-nitro-pyrido[3,4-g]quinazolin-2-amine

I1L

I1L
Name:	[2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoylamino]azanium
Formula:	C3 H7 N6 O
SMILES:	[NH3+]NC(=O)Cc1n[nH]nn1
InChi:	InChI=1S/C3H6N6O/c4-5-3(10)1-2-6-8-9-7-2/h1,4H2,(H,5,10)(H,6,7,8,9)/p+1
Definition date:	2017-10-27
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	[2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoylamino]azanium

J7N

J7N
Name:	2,2,4-tris(oxidanyl)-1,3-dioxa-2$l^{4},4$l^{3}-dimolybdacyclobutane
Formula:	H3 Mo2 O5
SMILES:	O[Mo]1O[Mo](O)(O)O1
InChi:	InChI=1S/2Mo.3H2O.2O/h
Definition date:	2019-02-09
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	2,2,4-tris(oxidanyl)-1,3-dioxa-2$l^{4},4$l^{3}-dimolybdacyclobutane

J7Q

J7Q
Name:	tetrakis($l^{1}-oxidanyl)-[[2,2,2,4,4,4,4,6,6,6,8-undecakis($l^{1}-oxidanyl)-8-(oxidanylmolybdeniooxy)-6-[tris($l^{1}-oxidanyl)molybdeniooxy]-1,3,5,7-tetraoxa-2$l^{6},4$l^{6},6$l^{6},8$l^{4}-tetramolybdacyclooct-2-yl]oxy]molybdenum
Formula:	H Mo7 O26
SMILES:	O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O[Mo]O[Mo]1O[Mo](O[Mo])O[Mo]O[Mo](O[Mo])O1
InChi:	InChI=1S/7Mo.19H2O.7O/h
Definition date:	2019-02-09
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	tetrakis($l^{1}-oxidanyl)-[[2,2,2,4,4,4,4,6,6,6,8-undecakis($l^{1}-oxidanyl)-8-(oxidanylmolybdeniooxy)-6-[tris($l^{1}-oxidanyl)molybdeniooxy]-1,3,5,7-tetraoxa-2$l^{6},4$l^{6},6$l^{6},8$l^{4}-tetramolybdacyclooct-2-yl]oxy]molybdenum

J85

J85
Name:	[[[bis(oxidanylmolybdenio)-$l^{3}-oxidanyl]-$l^{1}-oxidanyl-oxidanylidene-molybdenio]-(oxidanylmolybdenio)-$l^{3}-oxidanyl]-tetrakis($l^{1}-oxidanyl)molybdenum
Formula:	H3 Mo5 O11
SMILES:	O.O.O.O.O.[Mo].O[Mo]O[Mo]O.O[Mo]O[Mo]=O
InChi:	InChI=1S/5Mo.8H2O.3O/h
Definition date:	2019-02-09
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	[[[bis(oxidanylmolybdenio)-$l^{3}-oxidanyl]-$l^{1}-oxidanyl-oxidanylidene-molybdenio]-(oxidanylmolybdenio)-$l^{3}-oxidanyl]-tetrakis($l^{1}-oxidanyl)molybdenum

J8A

J8A
Name:	3-{2-[(cyclopropanecarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-N-{4-[(piperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide
Formula:	C29 H27 F3 N6 O2 S
SMILES:	c1cc(cc(c1)C(Nc3ccc(CN2CCNCC2)c(c3)C(F)(F)F)=O)c5ccc6nc(NC(=O)C4CC4)sc6n5
InChi:	InChI=1S/C29H27F3N6O2S/c30-29(31,32)22-15-21(7-6-20(22)16-38-12-10-33-11-13-38)34-26(40)19-3-1-2-18(14-19)23-8-9-24-27(35-23)41-28(36-24)37-25(39)17-4-5-17/h1-3,6-9,14-15,17,33H,4-5,10-13,16H2,(H,34,40)(H,36,37,39)
Definition date:	2018-08-22
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	3-{2-[(cyclopropanecarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-N-{4-[(piperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide

9G6

9G6
Name:	N-[2-(7-methoxy-4-morpholin-4-yl-quinazolin-6-yl)oxyethyl]-1,3-benzothiazol-2-amine
Formula:	C22 H23 N5 O3 S
SMILES:	COc1cc2ncnc(N3CCOCC3)c2cc1OCCNc4sc5ccccc5n4
InChi:	InChI=1S/C22H23N5O3S/c1-28-18-13-17-15(21(25-14-24-17)27-7-10-29-11-8-27)12-19(18)30-9-6-23-22-26-16-4-2-3-5-20(16)31-22/h2-5,12-14H,6-11H2,1H3,(H,23,26)
Definition date:	2018-04-17
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	~{N}-[2-(7-methoxy-4-morpholin-4-yl-quinazolin-6-yl)oxyethyl]-1,3-benzothiazol-2-amine

BWK

BWK
Name:	[2-(1-methyl-1,2,3,4-tetrazol-4-ium-5-yl)ethanoylamino]azanium
Formula:	C4 H10 N6 O
SMILES:	Cn1nn[nH+]c1CC(=O)N[NH3+]
InChi:	InChI=1S/C4H8N6O/c1-10-3(7-8-9-10)2-4(11)6-5/h2,5H2,1H3,(H,6,11)/p+2
Definition date:	2017-10-27
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	[2-(1-methyl-1,2,3,4-tetrazol-4-ium-5-yl)ethanoylamino]azanium

BWT

BWT
Name:	[[4-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]carbonylamino]azanium
Formula:	C8 H9 N6 O
SMILES:	[NH3+]NC(=O)c1ccc(cc1)c2n[nH]nn2
InChi:	InChI=1S/C8H8N6O/c9-10-8(15)6-3-1-5(2-4-6)7-11-13-14-12-7/h1-4H,9H2,(H,10,15)(H,11,12,13,14)/p+1
Definition date:	2017-10-27
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	[[4-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]carbonylamino]azanium

BWZ

BWZ
Name:	[[3-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]carbonylamino]azanium
Formula:	C8 H9 N6 O
SMILES:	[NH3+]NC(=O)c1cccc(c1)c2n[nH]nn2
InChi:	InChI=1S/C8H8N6O/c9-10-8(15)6-3-1-2-5(4-6)7-11-13-14-12-7/h1-4H,9H2,(H,10,15)(H,11,12,13,14)/p+1
Definition date:	2017-10-27
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	[[3-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]carbonylamino]azanium

BX5

BX5
Name:	[4-(2~{H}-1,2,3,4-tetrazol-5-yl)butanoylamino]azanium
Formula:	C5 H11 N6 O
SMILES:	[NH3+]NC(=O)CCCc1n[nH]nn1
InChi:	InChI=1S/C5H10N6O/c6-7-5(12)3-1-2-4-8-10-11-9-4/h1-3,6H2,(H,7,12)(H,8,9,10,11)/p+1
Definition date:	2017-10-27
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	[4-(2~{H}-1,2,3,4-tetrazol-5-yl)butanoylamino]azanium

BXH

BXH
Name:	ethyl 2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoate
Formula:	C5 H8 N4 O2
SMILES:	CCOC(=O)Cc1n[nH]nn1
InChi:	InChI=1S/C5H8N4O2/c1-2-11-5(10)3-4-6-8-9-7-4/h2-3H2,1H3,(H,6,7,8,9)
Definition date:	2017-10-27
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	ethyl 2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoate

EBB

EBB
Name:	7,8-dimethyl-2-(pyrimidin-2-ylsulfanylmethyl)-3~{H}-quinazolin-4-one
Formula:	C15 H14 N4 O S
SMILES:	Cc1ccc2C(=O)NC(=Nc2c1C)CSc3ncccn3
InChi:	InChI=1S/C15H14N4OS/c1-9-4-5-11-13(10(9)2)18-12(19-14(11)20)8-21-15-16-6-3-7-17-15/h3-7H,8H2,1-2H3,(H,18,19,20)
Definition date:	2018-03-13
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	7,8-dimethyl-2-(pyrimidin-2-ylsulfanylmethyl)-3~{H}-quinazolin-4-one

EE5

EE5
Name:	4-[(8-methyl-4-oxidanylidene-7-prop-1-ynyl-3~{H}-quinazolin-2-yl)methylsulfanyl]benzoic acid
Formula:	C20 H16 N2 O3 S
SMILES:	CC#Cc1ccc2C(=O)NC(=Nc2c1C)CSc3ccc(cc3)C(O)=O
InChi:	InChI=1S/C20H16N2O3S/c1-3-4-13-7-10-16-18(12(13)2)21-17(22-19(16)23)11-26-15-8-5-14(6-9-15)20(24)25/h5-10H,11H2,1-2H3,(H,24,25)(H,21,22,23)
Definition date:	2018-03-15
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	4-[(8-methyl-4-oxidanylidene-7-prop-1-ynyl-3~{H}-quinazolin-2-yl)methylsulfanyl]benzoic acid

F3E

F3E
Name:	4-phenylpyrimidin-2-amine
Formula:	C10 H9 N3
SMILES:	Nc1nccc(n1)c2ccccc2
InChi:	InChI=1S/C10H9N3/c11-10-12-7-6-9(13-10)8-4-2-1-3-5-8/h1-7H,(H2,11,12,13)
Definition date:	2018-05-24
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	4-phenylpyrimidin-2-amine

FG9

FG9
Name:	~{N}2-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine
Formula:	C18 H22 N6 O
SMILES:	Nc1c2ccncc2cc3cnc(NCCCN4CCOCC4)nc13
InChi:	InChI=1S/C18H22N6O/c19-16-15-2-4-20-11-13(15)10-14-12-22-18(23-17(14)16)21-3-1-5-24-6-8-25-9-7-24/h2,4,10-12H,1,3,5-9,19H2,(H,21,22,23)
Definition date:	2018-12-15
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	~{N}2-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine

FJQ

FJQ
Name:	Tioconazole
Formula:	C16 H13 Cl3 N2 O S
SMILES:	Clc1ccc([CH](Cn2ccnc2)OCc3ccsc3Cl)c(Cl)c1
InChi:	InChI=1S/C16H13Cl3N2OS/c17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)22-9-11-3-6-23-16(11)19/h1-7,10,15H,8-9H2/t15-/m0/s1
Definition date:	2018-07-12
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	1-[(2~{R})-2-[(2-chloranylthiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole

FXQ

FXQ
Name:	1-(4-carbamimidamidobutyl)guanidine
Formula:	C6 H16 N6
SMILES:	NC(=N)NCCCCNC(N)=N
InChi:	InChI=1S/C6H16N6/c7-5(8)11-3-1-2-4-12-6(9)10/h1-4H2,(H4,7,8,11)(H4,9,10,12)
Definition date:	2018-08-13
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	1-(4-carbamimidamidobutyl)guanidine

FXT

FXT
Name:	1-(5-carbamimidamidopentyl)guanidine
Formula:	C7 H18 N6
SMILES:	NC(=N)NCCCCCNC(N)=N
InChi:	InChI=1S/C7H18N6/c8-6(9)12-4-2-1-3-5-13-7(10)11/h1-5H2,(H4,8,9,12)(H4,10,11,13)
Definition date:	2018-08-14
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	1-(5-carbamimidamidopentyl)guanidine

G4H

G4H
Name:	~{N}-[1-methyl-2-oxidanylidene-3-[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]benzimidazol-5-yl]propanamide
Formula:	C37 H36 N6 O3
SMILES:	CCC(=O)Nc1ccc2N(C)C(=O)N(C3CCN(CC3)Cc4ccc(cc4)c5nc6C=CNC(=O)c6cc5c7ccccc7)c2c1
InChi:	InChI=1S/C37H36N6O3/c1-3-34(44)39-27-13-14-32-33(21-27)43(37(46)41(32)2)28-16-19-42(20-17-28)23-24-9-11-26(12-10-24)35-29(25-7-5-4-6-8-25)22-30-31(40-35)15-18-38-36(30)45/h4-15,18,21-22,28H,3,16-17,19-20,23H2,1-2H3,(H,38,45)(H,39,44)
Definition date:	2018-08-28
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	~{N}-[1-methyl-2-oxidanylidene-3-[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]benzimidazol-5-yl]propanamide

G4N

G4N
Name:	~{N}-[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-3-(propanoylamino)benzamide
Formula:	C36 H35 N5 O3
SMILES:	CCC(=O)Nc1cccc(c1)C(=O)NC2CCN(CC2)Cc3ccc(cc3)c4nc5C=CNC(=O)c5cc4c6ccccc6
InChi:	InChI=1S/C36H35N5O3/c1-2-33(42)38-29-10-6-9-27(21-29)35(43)39-28-16-19-41(20-17-28)23-24-11-13-26(14-12-24)34-30(25-7-4-3-5-8-25)22-31-32(40-34)15-18-37-36(31)44/h3-15,18,21-22,28H,2,16-17,19-20,23H2,1H3,(H,37,44)(H,38,42)(H,39,43)
Definition date:	2018-08-28
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	~{N}-[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-3-(propanoylamino)benzamide

G4Q

G4Q
Name:	~{N}-[4-[4-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperazin-1-yl]phenyl]propanamide
Formula:	C34 H33 N5 O2
SMILES:	CCC(=O)Nc1ccc(cc1)N2CCN(CC2)Cc3ccc(cc3)c4nc5C=CNC(=O)c5cc4c6ccccc6
InChi:	InChI=1S/C34H33N5O2/c1-2-32(40)36-27-12-14-28(15-13-27)39-20-18-38(19-21-39)23-24-8-10-26(11-9-24)33-29(25-6-4-3-5-7-25)22-30-31(37-33)16-17-35-34(30)41/h3-17,22H,2,18-21,23H2,1H3,(H,35,41)(H,36,40)
Definition date:	2018-08-28
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	~{N}-[4-[4-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperazin-1-yl]phenyl]propanamide

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