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EYY

EYY
Name:	3-(quinolin-2-yl)propanoic acid
Formula:	C12 H11 N O2
SMILES:	C(C(O)=O)Cc2ccc1ccccc1n2
InChi:	InChI=1S/C12H11NO2/c14-12(15)8-7-10-6-5-9-3-1-2-4-11(9)13-10/h1-6H,7-8H2,(H,14,15)
Definition date:	2018-02-12
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	3-(quinolin-2-yl)propanoic acid

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

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

AW5

AW5
Name:	3-methyl-5-oxidanyl-benzoic acid
Formula:	C8 H8 O3
SMILES:	Cc1cc(O)cc(c1)C(O)=O
InChi:	InChI=1S/C8H8O3/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4,9H,1H3,(H,10,11)
Definition date:	2017-08-24
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	3-methyl-5-oxidanyl-benzoic acid

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

B0W

B0W
Name:	4-[5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4~{H}-1,2,4-triazol-3-yl]benzoic acid
Formula:	C15 H17 N3 O7
SMILES:	OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]c(nn2)c3ccc(cc3)C(O)=O
InChi:	InChI=1S/C15H17N3O7/c19-5-8-9(20)10(21)11(22)12(25-8)14-16-13(17-18-14)6-1-3-7(4-2-6)15(23)24/h1-4,8-12,19-22H,5H2,(H,23,24)(H,16,17,18)/t8-,9-,10+,11-,12-/m1/s1
Definition date:	2017-09-05
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	4-[5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4~{H}-1,2,4-triazol-3-yl]benzoic acid

B0Z

B0Z
Name:	(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[5-[4-(trifluoromethyl)phenyl]-4~{H}-1,2,4-triazol-3-yl]oxane-3,4,5-triol
Formula:	C15 H16 F3 N3 O5
SMILES:	OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]c(nn2)c3ccc(cc3)C(F)(F)F
InChi:	InChI=1S/C15H16F3N3O5/c16-15(17,18)7-3-1-6(2-4-7)13-19-14(21-20-13)12-11(25)10(24)9(23)8(5-22)26-12/h1-4,8-12,22-25H,5H2,(H,19,20,21)/t8-,9-,10+,11-,12-/m1/s1
Definition date:	2017-09-05
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[5-[4-(trifluoromethyl)phenyl]-4~{H}-1,2,4-triazol-3-yl]oxane-3,4,5-triol

B1W

B1W
Name:	(2~{S},3~{R},4~{R},5~{S},6~{R})-2-[5-(4-aminophenyl)-4~{H}-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
Formula:	C14 H18 N4 O5
SMILES:	Nc1ccc(cc1)c2[nH]c(nn2)[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O
InChi:	InChI=1S/C14H18N4O5/c15-7-3-1-6(2-4-7)13-16-14(18-17-13)12-11(22)10(21)9(20)8(5-19)23-12/h1-4,8-12,19-22H,5,15H2,(H,16,17,18)/t8-,9-,10+,11-,12-/m1/s1
Definition date:	2017-09-05
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	(2~{S},3~{R},4~{R},5~{S},6~{R})-2-[5-(4-aminophenyl)-4~{H}-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,4,5-triol

8G2

8G2
Name:	(4-methoxycarbonylphenyl)methylazanium
Formula:	C9 H12 N O2
SMILES:	COC(=O)c1ccc(C[NH3+])cc1
InChi:	InChI=1S/C9H11NO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,6,10H2,1H3/p+1
Definition date:	2017-02-06
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	(4-methoxycarbonylphenyl)methylazanium

8G5

8G5
Name:	(4R)-4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one
Formula:	C12 H16 N2 O2 S
SMILES:	Nc1scc(n1)[CH]2CC(=O)OC23CCCCC3
InChi:	InChI=1S/C12H16N2O2S/c13-11-14-9(7-17-11)8-6-10(15)16-12(8)4-2-1-3-5-12/h7-8H,1-6H2,(H2,13,14)/t8-/m1/s1
Definition date:	2017-02-06
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	(4~{R})-4-(2-azanyl-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one

8J2

8J2
Name:	propan-2-yl ~{N}-[(2~{S},4~{R})-6-(3-acetamidophenyl)-1-ethanoyl-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate
Formula:	C24 H29 N3 O4
SMILES:	CC(C)OC(=O)N[CH]1C[CH](C)N(C(C)=O)c2ccc(cc12)c3cccc(NC(C)=O)c3
InChi:	InChI=1S/C24H29N3O4/c1-14(2)31-24(30)26-22-11-15(3)27(17(5)29)23-10-9-19(13-21(22)23)18-7-6-8-20(12-18)25-16(4)28/h6-10,12-15,22H,11H2,1-5H3,(H,25,28)(H,26,30)/t15-,22+/m0/s1
Definition date:	2017-02-08
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	propan-2-yl ~{N}-[(2~{S},4~{R})-6-(3-acetamidophenyl)-1-ethanoyl-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate

8JW

8JW
Name:	3-azanyl-5-(trifluoromethyl)-1~{H}-pyridin-2-one
Formula:	C6 H5 F3 N2 O
SMILES:	NC1=CC(=CNC1=O)C(F)(F)F
InChi:	InChI=1S/C6H5F3N2O/c7-6(8,9)3-1-4(10)5(12)11-2-3/h1-2H,10H2,(H,11,12)
Definition date:	2017-02-09
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	3-azanyl-5-(trifluoromethyl)-1~{H}-pyridin-2-one

8KB

8KB
Name:	(6~{R})-1,4-oxazepan-6-ol
Formula:	C5 H11 N O2
SMILES:	O[CH]1CNCCOC1
InChi:	InChI=1S/C5H11NO2/c7-5-3-6-1-2-8-4-5/h5-7H,1-4H2/t5-/m1/s1
Definition date:	2017-02-09
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	(6~{R})-1,4-oxazepan-6-ol

8LZ

8LZ
Name:	(2~{S})-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium
Formula:	C12 H16 N O2
SMILES:	C1C[NH2+][CH](C1)c2ccc3OCCOc3c2
InChi:	InChI=1S/C12H15NO2/c1-2-10(13-5-1)9-3-4-11-12(8-9)15-7-6-14-11/h3-4,8,10,13H,1-2,5-7H2/p+1/t10-/m0/s1
Definition date:	2017-02-10
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	(2~{S})-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium

8M8

8M8
Name:	3,4-dimethyl-5-(1~{H}-1,2,4-triazol-3-yl)thiophene-2-carbonitrile
Formula:	C9 H8 N4 S
SMILES:	Cc1c(C)c(sc1C#N)c2n[nH]cn2
InChi:	InChI=1S/C9H8N4S/c1-5-6(2)8(14-7(5)3-10)9-11-4-12-13-9/h4H,1-2H3,(H,11,12,13)
Definition date:	2017-02-11
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	3,4-dimethyl-5-(1~{H}-1,2,4-triazol-3-yl)thiophene-2-carbonitrile

8MB

8MB
Name:	(~{E})-3-(4-methylphenyl)prop-2-enoic acid
Formula:	C10 H10 O2
SMILES:	Cc1ccc(cc1)C=CC(O)=O
InChi:	InChI=1S/C10H10O2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-6+
Definition date:	2017-02-11
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	(~{E})-3-(4-methylphenyl)prop-2-enoic acid

8MK

8MK
Name:	(~{E})-4-(4-hydroxyphenyl)but-3-en-2-one
Formula:	C10 H10 O2
SMILES:	CC(=O)C=Cc1ccc(O)cc1
InChi:	InChI=1S/C10H10O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h2-7,12H,1H3/b3-2+
Definition date:	2017-02-11
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	(~{E})-4-(4-hydroxyphenyl)but-3-en-2-one

8MQ

8MQ
Name:	2-(azepan-1-yl)-1-(1~{H}-indol-3-yl)propan-1-one
Formula:	C17 H22 N2 O
SMILES:	CC(N1CCCCCC1)C(=O)c2c[nH]c3ccccc23
InChi:	InChI=1S/C17H22N2O/c1-13(19-10-6-2-3-7-11-19)17(20)15-12-18-16-9-5-4-8-14(15)16/h4-5,8-9,12-13,18H,2-3,6-7,10-11H2,1H3
Definition date:	2017-02-12
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	2-(azepan-1-yl)-1-(1~{H}-indol-3-yl)propan-1-one

8MT

8MT
Name:	4,5-bis(bromanyl)thiophene-2-carbohydrazide
Formula:	C5 H4 Br2 N2 O S
SMILES:	NNC(=O)c1sc(Br)c(Br)c1
InChi:	InChI=1S/C5H4Br2N2OS/c6-2-1-3(5(10)9-8)11-4(2)7/h1H,8H2,(H,9,10)
Definition date:	2017-02-13
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	4,5-bis(bromanyl)thiophene-2-carbohydrazide

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

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

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