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8MW

8MW
Name:	2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid
Formula:	C12 H12 N2 O2 S
SMILES:	Cc1nc(nc2sc(C(O)=O)c(C)c12)C3CC3
InChi:	InChI=1S/C12H12N2O2S/c1-5-8-6(2)13-10(7-3-4-7)14-11(8)17-9(5)12(15)16/h7H,3-4H2,1-2H3,(H,15,16)
Definition date:	2017-02-13
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid

8MZ

8MZ
Name:	5-(2-azanyl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one
Formula:	C10 H8 N4 O S
SMILES:	Nc1scc(n1)c2ccc3NC(=O)Nc3c2
InChi:	InChI=1S/C10H8N4OS/c11-9-12-8(4-16-9)5-1-2-6-7(3-5)14-10(15)13-6/h1-4H,(H2,11,12)(H2,13,14,15)
Definition date:	2017-02-13
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	5-(2-azanyl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one

8N2

8N2
Name:	(~{E})-3-(2,3-dimethoxyphenyl)prop-2-enoic acid
Formula:	C11 H12 O4
SMILES:	COc1cccc(C=CC(O)=O)c1OC
InChi:	InChI=1S/C11H12O4/c1-14-9-5-3-4-8(11(9)15-2)6-7-10(12)13/h3-7H,1-2H3,(H,12,13)/b7-6+
Definition date:	2017-02-13
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	(~{E})-3-(2,3-dimethoxyphenyl)prop-2-enoic acid

8N5

8N5
Name:	2,5-dihydro-1~{H}-isothiochromeno[4,3-c]pyrazol-3-one
Formula:	C10 H8 N2 O S
SMILES:	O=C1NNC2=C1SCc3ccccc23
InChi:	InChI=1S/C10H8N2OS/c13-10-9-8(11-12-10)7-4-2-1-3-6(7)5-14-9/h1-4H,5H2,(H2,11,12,13)
Definition date:	2017-02-13
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	2,5-dihydro-1~{H}-isothiochromeno[4,3-c]pyrazol-3-one

8N8

8N8
Name:	3,4-bis(bromanyl)thiophene-2-carboxylic acid
Formula:	C5 H2 Br2 O2 S
SMILES:	OC(=O)c1scc(Br)c1Br
InChi:	InChI=1S/C5H2Br2O2S/c6-2-1-10-4(3(2)7)5(8)9/h1H,(H,8,9)
Definition date:	2017-02-13
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	3,4-bis(bromanyl)thiophene-2-carboxylic acid

8NE

8NE
Name:	[azanyl-[4-(trifluoromethyl)phenyl]methylidene]azanium
Formula:	C8 H8 F3 N2
SMILES:	NC(=[NH2+])c1ccc(cc1)C(F)(F)F
InChi:	InChI=1S/C8H7F3N2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H3,12,13)/p+1
Definition date:	2017-02-13
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	[azanyl-[4-(trifluoromethyl)phenyl]methylidene]azanium

WYD

WYD
Name:	~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-4-[[1-[[3-(3-azanylprop-1-ynyl)phenyl]methyl]-1,2,3-triazol-4-yl]methoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4-oxidanyl-2-propoxy-oxan-3-yl]ethanamide
Formula:	C30 H43 N5 O11
SMILES:	CCCO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](OCc3cn(Cc4cccc(c4)C#CCN)nn3)[CH]2O)[CH](O)[CH]1NC(C)=O
InChi:	InChI=1S/C30H43N5O11/c1-3-10-42-29-23(32-17(2)38)25(40)27(22(15-37)45-29)46-30-26(41)28(24(39)21(14-36)44-30)43-16-20-13-35(34-33-20)12-19-7-4-6-18(11-19)8-5-9-31/h4,6-7,11,13,21-30,36-37,39-41H,3,9-10,12,14-16,31H2,1-2H3,(H,32,38)/t21-,22-,23-,24+,25-,26-,27-,28+,29-,30+/m1/s1
Definition date:	2017-01-20
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-4-[[1-[[3-(3-azanylprop-1-ynyl)phenyl]methyl]-1,2,3-triazol-4-yl]methoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4-oxidanyl-2-propoxy-oxan-3-yl]ethanamide

8QD

8QD
Name:	(3alpha,5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-ol
Formula:	C24 H33 N O
SMILES:	c1ccncc1C=4C3(CCC5C2(CCC(O)CC2CCC5C3CC=4)C)C
InChi:	InChI=1S/C24H33NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-4,7,13,15,17-19,21-22,26H,5-6,8-12,14H2,1-2H3/t17-,18+,19-,21-,22-,23-,24+/m0/s1
Definition date:	2017-03-01
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	(3alpha,5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-ol

8QH

8QH
Name:	(4~{Z})-6,7-bis(chloranyl)-4-[[(4-methylphenyl)amino]methylidene]-8-oxidanyl-1,2-dihydrodibenzofuran-3-one
Formula:	C20 H15 Cl2 N O3
SMILES:	Cc1ccc(NC=C2C(=O)CCc3c2oc4c(Cl)c(Cl)c(O)cc34)cc1
InChi:	InChI=1S/C20H15Cl2NO3/c1-10-2-4-11(5-3-10)23-9-14-15(24)7-6-12-13-8-16(25)17(21)18(22)20(13)26-19(12)14/h2-5,8-9,23,25H,6-7H2,1H3/b14-9+
Definition date:	2017-02-25
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	(4~{Z})-6,7-bis(chloranyl)-4-[[(4-methylphenyl)amino]methylidene]-8-oxidanyl-1,2-dihydrodibenzofuran-3-one

8QK

8QK
Name:	1,3-bis(chloranyl)-6-[(~{E})-(4-methoxyphenyl)iminomethyl]dibenzofuran-2,7-diol
Formula:	C20 H13 Cl2 N O4
SMILES:	COc1ccc(cc1)N=Cc2c(O)ccc3c2oc4cc(Cl)c(O)c(Cl)c34
InChi:	InChI=1S/C20H13Cl2NO4/c1-26-11-4-2-10(3-5-11)23-9-13-15(24)7-6-12-17-16(27-20(12)13)8-14(21)19(25)18(17)22/h2-9,24-25H,1H3/b23-9+
Definition date:	2017-02-25
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	1,3-bis(chloranyl)-6-[(~{E})-(4-methoxyphenyl)iminomethyl]dibenzofuran-2,7-diol

8QM

8QM
Name:	4-cyclopropylbenzoic acid
Formula:	C10 H10 O2
SMILES:	C2(c1ccc(C(O)=O)cc1)CC2
InChi:	InChI=1S/C10H10O2/c11-10(12)9-5-3-8(4-6-9)7-1-2-7/h3-7H,1-2H2,(H,11,12)
Definition date:	2017-03-01
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	4-cyclopropylbenzoic acid

8S9

8S9
Name:	3-[4-(3,4-dichlorophenyl)-5-phenyl-1,3-oxazol-2-yl]benzoic acid
Formula:	C22 H13 Cl2 N O3
SMILES:	OC(=O)c1cccc(c1)c2oc(c3ccccc3)c(n2)c4ccc(Cl)c(Cl)c4
InChi:	InChI=1S/C22H13Cl2NO3/c23-17-10-9-14(12-18(17)24)19-20(13-5-2-1-3-6-13)28-21(25-19)15-7-4-8-16(11-15)22(26)27/h1-12H,(H,26,27)
Definition date:	2017-01-18
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	3-[4-(3,4-dichlorophenyl)-5-phenyl-1,3-oxazol-2-yl]benzoic acid

D86

D86
Name:	[azanyl(piperidin-1-yl)methylidene]azanium
Formula:	C6 H14 N3
SMILES:	NC(=[NH2+])N1CCCCC1
InChi:	InChI=1S/C6H13N3/c7-6(8)9-4-2-1-3-5-9/h1-5H2,(H3,7,8)/p+1
Definition date:	2016-12-22
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	[azanyl(piperidin-1-yl)methylidene]azanium

AOK

AOK
Name:	~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(5-methyl-1~{H}-benzimidazol-2-yl)ethanamine
Formula:	C25 H26 Cl N3
SMILES:	CCc1ccccc1c2ccc(CNCCc3[nH]c4ccc(C)cc4n3)cc2Cl
InChi:	InChI=1S/C25H26ClN3/c1-3-19-6-4-5-7-20(19)21-10-9-18(15-22(21)26)16-27-13-12-25-28-23-11-8-17(2)14-24(23)29-25/h4-11,14-15,27H,3,12-13,16H2,1-2H3,(H,28,29)
Definition date:	2017-08-22
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(5-methyl-1~{H}-benzimidazol-2-yl)ethanamine

AOW

AOW
Name:	[2-[2-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methylamino]ethyl]-3~{H}-benzimidazol-4-yl]-oxidanyl-oxidanylidene-azanium
Formula:	C24 H24 Cl N4 O2
SMILES:	CCc1ccccc1c2ccc(CNCCc3[nH]c4c(cccc4[N+](O)=O)n3)cc2Cl
InChi:	InChI=1S/C24H24ClN4O2/c1-2-17-6-3-4-7-18(17)19-11-10-16(14-20(19)25)15-26-13-12-23-27-21-8-5-9-22(29(30)31)24(21)28-23/h3-11,14,26H,2,12-13,15H2,1H3,(H,27,28)(H,30,31)/q+1
Definition date:	2017-08-22
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	[2-[2-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methylamino]ethyl]-3~{H}-benzimidazol-4-yl]-oxidanyl-oxidanylidene-azanium

AQ8

AQ8
Name:	~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(4-methoxy-1~{H}-benzimidazol-2-yl)ethanamine
Formula:	C25 H26 Cl N3 O
SMILES:	CCc1ccccc1c2ccc(CNCCc3[nH]c4cccc(OC)c4n3)cc2Cl
InChi:	InChI=1S/C25H26ClN3O/c1-3-18-7-4-5-8-19(18)20-12-11-17(15-21(20)26)16-27-14-13-24-28-22-9-6-10-23(30-2)25(22)29-24/h4-12,15,27H,3,13-14,16H2,1-2H3,(H,28,29)
Definition date:	2017-08-22
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(4-methoxy-1~{H}-benzimidazol-2-yl)ethanamine

AQT

AQT
Name:	~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(5-methoxy-1~{H}-benzimidazol-2-yl)ethanamine
Formula:	C25 H26 Cl N3 O
SMILES:	CCc1ccccc1c2ccc(CNCCc3[nH]c4ccc(OC)cc4n3)cc2Cl
InChi:	InChI=1S/C25H26ClN3O/c1-3-18-6-4-5-7-20(18)21-10-8-17(14-22(21)26)16-27-13-12-25-28-23-11-9-19(30-2)15-24(23)29-25/h4-11,14-15,27H,3,12-13,16H2,1-2H3,(H,28,29)
Definition date:	2017-08-22
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(5-methoxy-1~{H}-benzimidazol-2-yl)ethanamine

AQW

AQW
Name:	2-(5-chloranyl-1~{H}-benzimidazol-2-yl)-~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]ethanamine
Formula:	C24 H23 Cl2 N3
SMILES:	CCc1ccccc1c2ccc(CNCCc3[nH]c4ccc(Cl)cc4n3)cc2Cl
InChi:	InChI=1S/C24H23Cl2N3/c1-2-17-5-3-4-6-19(17)20-9-7-16(13-21(20)26)15-27-12-11-24-28-22-10-8-18(25)14-23(22)29-24/h3-10,13-14,27H,2,11-12,15H2,1H3,(H,28,29)
Definition date:	2017-08-22
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	2-(5-chloranyl-1~{H}-benzimidazol-2-yl)-~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]ethanamine

AU8

AU8
Name:	[3,5-bis(chloranyl)-4-phenyl-phenyl]methylazanium
Formula:	C13 H12 Cl2 N
SMILES:	[NH3+]Cc1cc(Cl)c(c(Cl)c1)c2ccccc2
InChi:	InChI=1S/C13H11Cl2N/c14-11-6-9(8-16)7-12(15)13(11)10-4-2-1-3-5-10/h1-7H,8,16H2/p+1
Definition date:	2017-08-22
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	[3,5-bis(chloranyl)-4-phenyl-phenyl]methylazanium

AUH

AUH
Name:	2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-methoxy-phenyl]methyl]ethanamine
Formula:	C25 H27 N3 O
SMILES:	CCc1ccccc1c2ccc(CNCCc3[nH]c4ccccc4n3)cc2OC
InChi:	InChI=1S/C25H27N3O/c1-3-19-8-4-5-9-20(19)21-13-12-18(16-24(21)29-2)17-26-15-14-25-27-22-10-6-7-11-23(22)28-25/h4-13,16,26H,3,14-15,17H2,1-2H3,(H,27,28)
Definition date:	2017-08-22
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-methoxy-phenyl]methyl]ethanamine

AUW

AUW
Name:	2-(1~{H}-benzimidazol-2-yl)-~{N}-[[3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methyl]ethanamine
Formula:	C24 H23 Cl2 N3
SMILES:	CCc1ccccc1c2c(Cl)cc(CNCCc3[nH]c4ccccc4n3)cc2Cl
InChi:	InChI=1S/C24H23Cl2N3/c1-2-17-7-3-4-8-18(17)24-19(25)13-16(14-20(24)26)15-27-12-11-23-28-21-9-5-6-10-22(21)29-23/h3-10,13-14,27H,2,11-12,15H2,1H3,(H,28,29)
Definition date:	2017-08-23
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	2-(1~{H}-benzimidazol-2-yl)-~{N}-[[3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methyl]ethanamine

AVK

AVK
Name:	~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-2-(1~{H}-imidazol-2-yl)ethanamine
Formula:	C18 H18 Cl N3
SMILES:	Clc1cc(CNCCc2[nH]ccn2)ccc1c3ccccc3
InChi:	InChI=1S/C18H18ClN3/c19-17-12-14(13-20-9-8-18-21-10-11-22-18)6-7-16(17)15-4-2-1-3-5-15/h1-7,10-12,20H,8-9,13H2,(H,21,22)
Definition date:	2017-08-24
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-2-(1~{H}-imidazol-2-yl)ethanamine

AVZ

AVZ
Name:	(3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{H}-imidazol-4-yl)ethyl]azanium
Formula:	C18 H19 Cl N3
SMILES:	Clc1cc(C[NH2+]CCc2c[nH]cn2)ccc1c3ccccc3
InChi:	InChI=1S/C18H18ClN3/c19-18-10-14(11-20-9-8-16-12-21-13-22-16)6-7-17(18)15-4-2-1-3-5-15/h1-7,10,12-13,20H,8-9,11H2,(H,21,22)/p+1
Definition date:	2017-08-24
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	(3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{H}-imidazol-4-yl)ethyl]azanium

AWE

AWE
Name:	[3-chloranyl-4-(3-fluorophenyl)phenyl]methanamine
Formula:	C13 H11 Cl F N
SMILES:	NCc1ccc(c(Cl)c1)c2cccc(F)c2
InChi:	InChI=1S/C13H11ClFN/c14-13-6-9(8-16)4-5-12(13)10-2-1-3-11(15)7-10/h1-7H,8,16H2
Definition date:	2017-08-24
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	[3-chloranyl-4-(3-fluorophenyl)phenyl]methanamine

AWK

AWK
Name:	~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(7-methyl-1~{H}-benzimidazol-2-yl)ethanamine
Formula:	C25 H26 Cl N3
SMILES:	CCc1ccccc1c2ccc(CNCCc3[nH]c4c(C)cccc4n3)cc2Cl
InChi:	InChI=1S/C25H26ClN3/c1-3-19-8-4-5-9-20(19)21-12-11-18(15-22(21)26)16-27-14-13-24-28-23-10-6-7-17(2)25(23)29-24/h4-12,15,27H,3,13-14,16H2,1-2H3,(H,28,29)
Definition date:	2017-08-24
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(7-methyl-1~{H}-benzimidazol-2-yl)ethanamine

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