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CKZ

CKZ
Name:	(2~{S},3~{R},4~{R},5~{S},6~{R})-2-[5-(9~{H}-fluoren-2-yl)-4~{H}-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
Formula:	C21 H21 N3 O5
SMILES:	OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]c(nn2)c3ccc4c(Cc5ccccc45)c3
InChi:	InChI=1S/C21H21N3O5/c25-9-15-16(26)17(27)18(28)19(29-15)21-22-20(23-24-21)11-5-6-14-12(8-11)7-10-3-1-2-4-13(10)14/h1-6,8,15-19,25-28H,7,9H2,(H,22,23,24)/t15-,16-,17+,18-,19-/m1/s1
Definition date:	2017-11-28
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	(2~{S},3~{R},4~{R},5~{S},6~{R})-2-[5-(9~{H}-fluoren-2-yl)-4~{H}-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,4,5-triol

CNK

CNK
Name:	(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(5-naphthalen-1-yl-4~{H}-1,2,4-triazol-3-yl)oxane-3,4,5-triol
Formula:	C18 H19 N3 O5
SMILES:	OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]c(nn2)c3cccc4ccccc34
InChi:	InChI=1S/C18H19N3O5/c22-8-12-13(23)14(24)15(25)16(26-12)18-19-17(20-21-18)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-16,22-25H,8H2,(H,19,20,21)/t12-,13-,14+,15-,16-/m1/s1
Definition date:	2017-11-28
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-naphthalen-1-yl-4~{H}-1,2,4-triazol-3-yl)oxane-3,4,5-triol

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

U8K

U8K
Name:	3-(phenylsulfonylamino)pyridine-2-carboxylic acid
Formula:	C12 H10 N2 O4 S
SMILES:	OC(=O)c1ncccc1N[S](=O)(=O)c2ccccc2
InChi:	InChI=1S/C12H10N2O4S/c15-12(16)11-10(7-4-8-13-11)14-19(17,18)9-5-2-1-3-6-9/h1-8,14H,(H,15,16)
Definition date:	2017-01-24
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	3-(phenylsulfonylamino)pyridine-2-carboxylic acid

8FZ

8FZ
Name:	(5-pyridin-3-yloxyfuran-2-yl)methanamine
Formula:	C10 H10 N2 O2
SMILES:	NCc1oc(Oc2cccnc2)cc1
InChi:	InChI=1S/C10H10N2O2/c11-6-8-3-4-10(13-8)14-9-2-1-5-12-7-9/h1-5,7H,6,11H2
Definition date:	2017-02-06
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	(5-pyridin-3-yloxyfuran-2-yl)methanamine

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

8JT

8JT
Name:	1,3-benzodioxol-5-ylmethyl(cyclopentyl)azanium
Formula:	C13 H18 N O2
SMILES:	C1CCC(C1)[NH2+]Cc2ccc3OCOc3c2
InChi:	InChI=1S/C13H17NO2/c1-2-4-11(3-1)14-8-10-5-6-12-13(7-10)16-9-15-12/h5-7,11,14H,1-4,8-9H2/p+1
Definition date:	2017-02-09
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	1,3-benzodioxol-5-ylmethyl(cyclopentyl)azanium

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

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

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

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

DQV

DQV
Name:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5S)-5-(3-carbamoylphenyl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
Formula:	C22 H28 N6 O14 P2
SMILES:	O=P(O)(OP(O)(=O)OCC3OC(n1cnc2c1ncnc2N)C(C3O)O)OCC5C(O)C(C(c4cccc(c4)C(=O)N)O5)O
InChi:	InChI=1S/C22H28N6O14P2/c23-19-13-21(26-7-25-19)28(8-27-13)22-17(32)15(30)12(41-22)6-39-44(36,37)42-43(34,35)38-5-11-14(29)16(31)18(40-11)9-2-1-3-10(4-9)20(24)33/h1-4,7-8,11-12,14-18,22,29-32H,5-6H2,(H2,24,33)(H,34,35)(H,36,37)(H2,23,25,26)/t11-,12-,14-,15-,16-,17-,18+,22-/m1/s1
Definition date:	2017-11-01
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5S)-5-(3-carbamoylphenyl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)

DV4

DV4
Name:	4-{[4-(acetylamino)-1-methyl-1H-pyrrole-2-carbonyl]amino}-1-methyl-N-{4-[(1-methyl-1H-pyrrol-3-yl)amino]-4-oxobutyl}-1H-imidazole-2-carboxamide
Formula:	C22 H28 N8 O4
SMILES:	c2(C(=O)NCCCC(=O)Nc1ccn(C)c1)n(cc(n2)NC(c3cc(cn3C)NC(C)=O)=O)C
InChi:	InChI=1S/C22H28N8O4/c1-14(31)24-16-10-17(29(3)12-16)21(33)27-18-13-30(4)20(26-18)22(34)23-8-5-6-19(32)25-15-7-9-28(2)11-15/h7,9-13H,5-6,8H2,1-4H3,(H,23,34)(H,24,31)(H,25,32)(H,27,33)
Definition date:	2017-11-08
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	4-{[4-(acetylamino)-1-methyl-1H-pyrrole-2-carbonyl]amino}-1-methyl-N-{4-[(1-methyl-1H-pyrrol-3-yl)amino]-4-oxobutyl}-1H-imidazole-2-carboxamide

DY2

DY2
Name:	7-methoxy-3-methyl-2-[5-[4-(trifluoromethyloxy)phenyl]pyridin-3-yl]quinolin-4-ol
Formula:	C23 H17 F3 N2 O3
SMILES:	COc1ccc2c(O)c(C)c(nc2c1)c3cncc(c3)c4ccc(OC(F)(F)F)cc4
InChi:	InChI=1S/C23H17F3N2O3/c1-13-21(28-20-10-18(30-2)7-8-19(20)22(13)29)16-9-15(11-27-12-16)14-3-5-17(6-4-14)31-23(24,25)26/h3-12H,1-2H3,(H,28,29)
Definition date:	2018-02-05
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	7-methoxy-3-methyl-2-[5-[4-(trifluoromethyloxy)phenyl]pyridin-3-yl]quinolin-4-ol

E7V

E7V
Name:	4-bromo-6-[(3,4-dichlorophenyl)sulfanyl]-1-{[4-(dimethylcarbamoyl)phenyl]methyl}-1H-indole-2-carboxylic acid
Formula:	C25 H19 Br Cl2 N2 O3 S
SMILES:	c32c(cc(Sc1cc(c(Cl)cc1)Cl)cc2Br)n(c(c3)C(O)=O)Cc4ccc(cc4)C(=O)N(C)C
InChi:	InChI=1S/C25H19BrCl2N2O3S/c1-29(2)24(31)15-5-3-14(4-6-15)13-30-22-11-17(34-16-7-8-20(27)21(28)10-16)9-19(26)18(22)12-23(30)25(32)33/h3-12H,13H2,1-2H3,(H,32,33)
Definition date:	2017-12-06
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	4-bromo-6-[(3,4-dichlorophenyl)sulfanyl]-1-{[4-(dimethylcarbamoyl)phenyl]methyl}-1H-indole-2-carboxylic acid

AHK

AHK
Name:	2-(1~{H}-benzimidazol-2-yl)ethyl-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]azanium
Formula:	C24 H25 Cl N3
SMILES:	CCc1ccccc1c2ccc(C[NH2+]CCc3[nH]c4ccccc4n3)cc2Cl
InChi:	InChI=1S/C24H24ClN3/c1-2-18-7-3-4-8-19(18)20-12-11-17(15-21(20)25)16-26-14-13-24-27-22-9-5-6-10-23(22)28-24/h3-12,15,26H,2,13-14,16H2,1H3,(H,27,28)/p+1
Definition date:	2017-08-18
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	2-(1~{H}-benzimidazol-2-yl)ethyl-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]azanium

AJK

AJK
Name:	(3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{H}-pyrrol-2-yl)ethyl]azanium
Formula:	C19 H20 Cl N2
SMILES:	Clc1cc(C[NH2+]CCc2[nH]ccc2)ccc1c3ccccc3
InChi:	InChI=1S/C19H19ClN2/c20-19-13-15(14-21-12-10-17-7-4-11-22-17)8-9-18(19)16-5-2-1-3-6-16/h1-9,11,13,21-22H,10,12,14H2/p+1
Definition date:	2017-08-21
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	(3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{H}-pyrrol-2-yl)ethyl]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

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