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A4Q

A4Q
Name:	[3-chloranyl-4-(2-ethylphenyl)phenyl]methanamine
Formula:	C15 H16 Cl N
SMILES:	CCc1ccccc1c2ccc(CN)cc2Cl
InChi:	InChI=1S/C15H16ClN/c1-2-12-5-3-4-6-13(12)14-8-7-11(10-17)9-15(14)16/h3-9H,2,10,17H2,1H3
Definition date:	2017-08-16
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	[3-chloranyl-4-(2-ethylphenyl)phenyl]methanamine

A4T

A4T
Name:	[3-chloranyl-4-(2-fluorophenyl)phenyl]methanamine
Formula:	C13 H11 Cl F N
SMILES:	NCc1ccc(c(Cl)c1)c2ccccc2F
InChi:	InChI=1S/C13H11ClFN/c14-12-7-9(8-16)5-6-10(12)11-3-1-2-4-13(11)15/h1-7H,8,16H2
Definition date:	2017-08-16
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	[3-chloranyl-4-(2-fluorophenyl)phenyl]methanamine

A8Q

A8Q
Name:	[3-chloranyl-4-(2-propan-2-ylphenyl)phenyl]methylazanium
Formula:	C16 H19 Cl N
SMILES:	CC(C)c1ccccc1c2ccc(C[NH3+])cc2Cl
InChi:	InChI=1S/C16H18ClN/c1-11(2)13-5-3-4-6-14(13)15-8-7-12(10-18)9-16(15)17/h3-9,11H,10,18H2,1-2H3/p+1
Definition date:	2017-08-17
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	[3-chloranyl-4-(2-propan-2-ylphenyl)phenyl]methylazanium

A9K

A9K
Name:	2-[4-(aminomethyl)-2-chloranyl-phenyl]phenol
Formula:	C13 H12 Cl N O
SMILES:	NCc1ccc(c(Cl)c1)c2ccccc2O
InChi:	InChI=1S/C13H12ClNO/c14-12-7-9(8-15)5-6-10(12)11-3-1-2-4-13(11)16/h1-7,16H,8,15H2
Definition date:	2017-08-18
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	2-[4-(aminomethyl)-2-chloranyl-phenyl]phenol

9AJ

9AJ
Name:	2-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo[1,6-dihydro[3,4'-bipyridine]]-2'-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one
Formula:	C37 H44 N8 O4
SMILES:	c7c1CC(C)(C)Cc1n8CCN(c6nccc(C=2C=C(C(=O)N(C=2)C)Nc5ncc(N3CCN(CC3C)C4COC4)cc5)c6CO)C(c78)=O
InChi:	InChI=1S/C37H44N8O4/c1-23-18-42(27-21-49-22-27)9-10-43(23)26-5-6-33(39-17-26)40-30-13-25(19-41(4)35(30)47)28-7-8-38-34(29(28)20-46)45-12-11-44-31(36(45)48)14-24-15-37(2,3)16-32(24)44/h5-8,13-14,17,19,23,27,46H,9-12,15-16,18,20-22H2,1-4H3,(H,39,40)/t23-/m0/s1
Definition date:	2017-04-14
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	2-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo[1,6-dihydro[3,4'-bipyridine]]-2'-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one

9LH

9LH
Name:	Tunicamycin
Formula:	C38 H62 N4 O16
SMILES:	CC(C)CCCCCCCCCC=CC(=O)N[CH]1[CH](O)[CH](O)[CH](C[CH](O)[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)O[CH]1O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4NC(C)=O
InChi:	InChI=1S/C38H62N4O16/c1-19(2)13-11-9-7-5-4-6-8-10-12-14-24(46)40-27-31(51)28(48)22(55-37(27)58-36-26(39-20(3)44)30(50)29(49)23(18-43)56-36)17-21(45)34-32(52)33(53)35(57-34)42-16-15-25(47)41-38(42)54/h12,14-16,19,21-23,26-37,43,45,48-53H,4-11,13,17-18H2,1-3H3,(H,39,44)(H,40,46)(H,41,47,54)/b14-12+/t21-,22-,23-,26-,27-,28+,29-,30-,31-,32+,33-,34-,35-,36-,37+/m1/s1
Definition date:	2017-06-01
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	(~{E})-~{N}-[(2~{S},3~{R},4~{R},5~{R},6~{R})-2-[(2~{R},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-[(2~{R})-2-[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanyl-ethyl]-4,5-bis(oxidanyl)oxan-3-yl]-13-methyl-tetradec-2-enamide

BJK

BJK
Name:	(4-methoxy-3-oxidanyl-phenyl)methylazanium
Formula:	C8 H12 N O2
SMILES:	COc1ccc(C[NH3+])cc1O
InChi:	InChI=1S/C8H11NO2/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4,10H,5,9H2,1H3/p+1
Definition date:	2017-10-06
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	(4-methoxy-3-oxidanyl-phenyl)methylazanium

BJN

BJN
Name:	2-pyridin-3-ylethylazanium
Formula:	C7 H11 N2
SMILES:	[NH3+]CCc1cccnc1
InChi:	InChI=1S/C7H10N2/c8-4-3-7-2-1-5-9-6-7/h1-2,5-6H,3-4,8H2/p+1
Definition date:	2017-10-06
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	2-pyridin-3-ylethylazanium

BJQ

BJQ
Name:	[(2~{S})-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]azanium
Formula:	C10 H14 N O2
SMILES:	COC(=O)[CH]([NH3+])Cc1ccccc1
InChi:	InChI=1S/C10H13NO2/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3/p+1/t9-/m0/s1
Definition date:	2017-10-06
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	[(2~{S})-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]azanium

CGW

CGW
Name:	(2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)-5,7-dihydrothieno[3,4-d]pyrimidin-1-yl]propanoic acid
Formula:	C9 H11 N3 O4 S
SMILES:	N[CH](CN1C(=O)NC(=O)C2=C1CSC2)C(O)=O
InChi:	InChI=1S/C9H11N3O4S/c10-5(8(14)15)1-12-6-3-17-2-4(6)7(13)11-9(12)16/h5H,1-3,10H2,(H,14,15)(H,11,13,16)/t5-/m0/s1
Definition date:	2017-11-27
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	(2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)-5,7-dihydrothieno[3,4-d]pyrimidin-1-yl]propanoic acid

CJW

CJW
Name:	6-[5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1~{H}-1,2,4-triazol-3-yl]naphthalene-2-carboxylic acid
Formula:	C19 H19 N3 O7
SMILES:	OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]nc(n2)c3ccc4cc(ccc4c3)C(O)=O
InChi:	InChI=1S/C19H19N3O7/c23-7-12-13(24)14(25)15(26)16(29-12)18-20-17(21-22-18)10-3-1-9-6-11(19(27)28)4-2-8(9)5-10/h1-6,12-16,23-26H,7H2,(H,27,28)(H,20,21,22)/t12-,13-,14+,15-,16-/m1/s1
Definition date:	2017-11-28
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	6-[5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1~{H}-1,2,4-triazol-3-yl]naphthalene-2-carboxylic acid

CKQ

CKQ
Name:	4-[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]phenyl]benzoic acid
Formula:	C21 H21 N3 O7
SMILES:	OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]c(nn2)c3ccc(cc3)c4ccc(cc4)C(O)=O
InChi:	InChI=1S/C21H21N3O7/c25-9-14-15(26)16(27)17(28)18(31-14)20-22-19(23-24-20)12-5-1-10(2-6-12)11-3-7-13(8-4-11)21(29)30/h1-8,14-18,25-28H,9H2,(H,29,30)(H,22,23,24)/t14-,15-,16+,17-,18-/m1/s1
Definition date:	2017-11-28
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	4-[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]phenyl]benzoic acid

CKW

CKW
Name:	(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[5-(4-phenylphenyl)-4~{H}-1,2,4-triazol-3-yl]oxane-3,4,5-triol
Formula:	C20 H21 N3 O5
SMILES:	OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]c(nn2)c3ccc(cc3)c4ccccc4
InChi:	InChI=1S/C20H21N3O5/c24-10-14-15(25)16(26)17(27)18(28-14)20-21-19(22-23-20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14-18,24-27H,10H2,(H,21,22,23)/t14-,15-,16+,17-,18-/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-(4-phenylphenyl)-4~{H}-1,2,4-triazol-3-yl]oxane-3,4,5-triol

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

D03

D03
Name:	(S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide
Formula:	C33 H36 N4 O5
SMILES:	O[CH]([CH](C[CH]1CCNC1=O)NC(=O)[CH](Cc2ccccc2)NC(=O)C=Cc3ccccc3)C(=O)NCc4ccccc4
InChi:	InChI=1S/C33H36N4O5/c38-29(17-16-23-10-4-1-5-11-23)36-28(20-24-12-6-2-7-13-24)32(41)37-27(21-26-18-19-34-31(26)40)30(39)33(42)35-22-25-14-8-3-9-15-25/h1-17,26-28,30,39H,18-22H2,(H,34,40)(H,35,42)(H,36,38)(H,37,41)/b17-16+/t26-,27-,28-,30-/m0/s1
Definition date:	2017-02-06
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	(2~{S},3~{S})-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-~{N}-(phenylmethyl)-3-[[(2~{S})-3-phenyl-2-[[(~{E})-3-phenylprop-2-enoyl]amino]propanoyl]amino]butanamide

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

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

8G8

8G8
Name:	2-chloranyl-9-methyl-purine
Formula:	C6 H5 Cl N4
SMILES:	Cn1cnc2cnc(Cl)nc12
InChi:	InChI=1S/C6H5ClN4/c1-11-3-9-4-2-8-6(7)10-5(4)11/h2-3H,1H3
Definition date:	2017-02-06
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	2-chloranyl-9-methyl-purine

8GB

8GB
Name:	1-[5-chloranyl-3-(chloromethyl)-2-oxidanyl-phenyl]ethanone
Formula:	C9 H8 Cl2 O2
SMILES:	CC(=O)c1cc(Cl)cc(CCl)c1O
InChi:	InChI=1S/C9H8Cl2O2/c1-5(12)8-3-7(11)2-6(4-10)9(8)13/h2-3,13H,4H2,1H3
Definition date:	2017-02-06
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	1-[5-chloranyl-3-(chloromethyl)-2-oxidanyl-phenyl]ethanone

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

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

8K2

8K2
Name:	5-chloranylthiophene-2-sulfonamide
Formula:	C4 H4 Cl N O2 S2
SMILES:	N[S](=O)(=O)c1sc(Cl)cc1
InChi:	InChI=1S/C4H4ClNO2S2/c5-3-1-2-4(9-3)10(6,7)8/h1-2H,(H2,6,7,8)
Definition date:	2017-02-09
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	5-chloranylthiophene-2-sulfonamide

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