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5KY

5KY
Name:	2-({[2-amino-4-(trifluoromethyl)phenyl]carbamoyl}amino)-4-methylbenzoic acid
Formula:	C16 H14 F3 N3 O3
SMILES:	c1(c(cc(cc1)C)NC(=O)Nc2ccc(C(F)(F)F)cc2N)C(O)=O
InChi:	InChI=1S/C16H14F3N3O3/c1-8-2-4-10(14(23)24)13(6-8)22-15(25)21-12-5-3-9(7-11(12)20)16(17,18)19/h2-7H,20H2,1H3,(H,23,24)(H2,21,22,25)
Synonyms:	BF174
Definition date:	2015-10-15
Last modified:	2020-06-17
Release date:	2016-10-26
Identifier:	2-({[2-amino-4-(trifluoromethyl)phenyl]carbamoyl}amino)-4-methylbenzoic acid

5L8

5L8
Name:	(2~{R})-2-(1-chloranylcyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
Formula:	C14 H15 Cl2 N3 O
SMILES:	O[C](Cn1cncn1)(Cc2ccccc2Cl)C3(Cl)CC3
InChi:	InChI=1S/C14H15Cl2N3O/c15-12-4-2-1-3-11(12)7-14(20,13(16)5-6-13)8-19-10-17-9-18-19/h1-4,9-10,20H,5-8H2/t14-/m1/s1
Synonyms:	R-desthio-prothioconazole
Definition date:	2015-10-19
Last modified:	2020-06-17
Release date:	2016-02-10
Identifier:	(2~{R})-2-(1-chloranylcyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol

EWV

EWV
Name:	Epiberberine
Formula:	C20 H18 N O4
SMILES:	c2c5ccc1OCOc1c5c[n+]3CCc4c(c23)cc(c(c4)OC)OC
InChi:	InChI=1S/C20H18NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1
Synonyms:	8,9-dimethoxy-11,12-dihydro-2H-[1,3]dioxolo[4,5-h]isoquinolino[2,1-b]isoquinolin-13-ium
Definition date:	2018-02-08
Last modified:	2020-06-17
Release date:	2018-06-20
Identifier:	8,9-dimethoxy-11,12-dihydro-2H-[1,3]dioxolo[4,5-h]isoquinolino[2,1-b]isoquinolin-13-ium

5LN

5LN
Name:	chloranyl-bis(hydroxymethyl)-bis(oxidanyl)ruthenium
Formula:	C2 H8 Cl O4 Ru
SMILES:	OC[Ru](O)(O)(Cl)CO
InChi:	InChI=1S/2CH3O.ClH.2H2O.Ru/c2*1-2
Synonyms:	Ru(CO)2Cl(OH2)2
Definition date:	2015-10-20
Last modified:	2020-06-17
Release date:	2016-10-26
Identifier:	chloranyl-bis(hydroxymethyl)-bis(oxidanyl)ruthenium

EX7

EX7
Name:	2-[2-(3-chlorophenyl)ethyl]-1H-benzimidazol-7-ol
Formula:	C15 H13 Cl N2 O
SMILES:	c2c(c3nc(CCc1cc(ccc1)Cl)nc3cc2)O
InChi:	InChI=1S/C15H13ClN2O/c16-11-4-1-3-10(9-11)7-8-14-17-12-5-2-6-13(19)15(12)18-14/h1-6,9,19H,7-8H2,(H,17,18)
Synonyms:	2-(3-chlorophenethyl)-1H-benzo[d]imidazol-4-ol
Definition date:	2018-02-08
Last modified:	2020-06-17
Release date:	2018-03-14
Identifier:	2-[2-(3-chlorophenyl)ethyl]-1H-benzimidazol-7-ol

5LU

5LU
Name:	Prochloraz
Formula:	C15 H16 Cl3 N3 O2
SMILES:	CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n2ccnc2
InChi:	InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3
Synonyms:	~{N}-propyl-~{N}-[2-[2,4,6-tris(chloranyl)phenoxy]ethyl]imidazole-1-carboxamide
Definition date:	2015-10-21
Last modified:	2020-06-17
Release date:	2016-02-10
Identifier:	~{N}-propyl-~{N}-[2-[2,4,6-tris(chloranyl)phenoxy]ethyl]imidazole-1-carboxamide

5LW

5LW
Name:	1-[[(2~{S},4~{S})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
Formula:	C19 H17 Cl2 N3 O3
SMILES:	C[CH]1CO[C](Cn2cncn2)(O1)c3ccc(Oc4ccc(Cl)cc4)cc3Cl
InChi:	InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3/t13-,19+/m0/s1
Synonyms:	Difenoconazole
Definition date:	2015-10-21
Last modified:	2020-06-17
Release date:	2016-02-10
Identifier:	1-[[(2~{S},4~{S})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole

5LX

5LX
Name:	1-[[(2~{R},4~{S})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
Formula:	C19 H17 Cl2 N3 O3
SMILES:	C[CH]1CO[C](Cn2cncn2)(O1)c3ccc(Oc4ccc(Cl)cc4)cc3Cl
InChi:	InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3/t13-,19-/m0/s1
Synonyms:	Difenoconazole
Definition date:	2015-10-21
Last modified:	2020-06-17
Release date:	2016-02-10
Identifier:	1-[[(2~{R},4~{S})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole

EXC

EXC
Name:	3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-8-hydroxy-7,7,9,9-tetramethyl-7,8,9,11-tetrahydropyrimido[4',5' :5,6][1,4]oxazino[2,3-f]isoindol-2(3H)-one radical
Formula:	C21 H26 N4 O9 P
SMILES:	O=P(O)(O)OCC5OC(N4C(=O)N=C2C(Oc1cc3c(cc1N2)C(N(O)C3(C)C)(C)C)=C4)CC5O
InChi:	InChI=1S/C21H27N4O9P/c1-20(2)10-5-12-14(6-11(10)21(3,4)25(20)28)33-15-8-24(19(27)23-18(15)22-12)17-7-13(26)16(34-17)9-32-35(29,30)31/h5-6,8,13,16-17,26,28H,7,9H2,1-4H3,(H,22,23,27)(H2,29,30,31)/t13-,16+,17+/m0/s1
Synonyms:	nitroxide spin-labeled nucleotide C-spin
Definition date:	2010-10-19
Last modified:	2020-06-17
Identifier:	3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-8-hydroxy-7,7,9,9-tetramethyl-7,8,9,11-tetrahydropyrimido[4',5':5,6][1,4]oxazino[2,3-f]isoindol-2(3H)-one

5MD

5MD
Name:	2'-deoxy-1-methyl-pseudouridine
Formula:	C10 H14 N2 O5
SMILES:	O=C1N(C=C(C(=O)N1)C2OC(CO)C(O)C2)C
InChi:	InChI=1S/C10H14N2O5/c1-12-3-5(9(15)11-10(12)16)7-2-6(14)8(4-13)17-7/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1
Synonyms:	5-METHYL-2'-DEOXYPSEUDOURIDINE
Definition date:	2000-07-26
Last modified:	2020-06-17
Identifier:	(1R)-1,4-anhydro-2-deoxy-1-(1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-D-erythro-pentitol

EXX

EXX
Name:	4,5,6,7-tetrabromo-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-1H-benzimidazole
Formula:	C12 H10 Br4 N2 O3
SMILES:	Brc3c1c(ncn1C2OC(C(O)C2)CO)c(Br)c(Br)c3Br
InChi:	InChI=1S/C12H10Br4N2O3/c13-7-8(14)10(16)12-11(9(7)15)17-3-18(12)6-1-4(20)5(2-19)21-6/h3-6,19-20H,1-2H2/t4-,5+,6+/m0/s1
Synonyms:	Tetrabromo-Deoxyribofuranosyl-Benzimidazole
Definition date:	2013-05-30
Last modified:	2020-06-17
Release date:	2014-04-09
Identifier:	4,5,6,7-tetrabromo-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-1H-benzimidazole

EY4

EY4
Name:	(3a,5a)-3-Hydroxypregnane-11,20-dione
Formula:	C21 H32 O3
SMILES:	C32(C4C(CC1(C(CCC1C4CCC2CC(CC3)O)C(=O)C)C)=O)C
InChi:	InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-17,19,23H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,19+,20-,21+/m0/s1
Synonyms:	alphaxalone
Definition date:	2018-02-12
Last modified:	2020-06-17
Release date:	2018-08-22
Identifier:	(3beta,5alpha,8alpha,9beta,10alpha)-3-hydroxypregnane-11,20-dione

5N7

5N7
Name:	(13S,16R)-N-(4-carbamimidoylbenzyl)-16-((N-cyclohexylsulfamoyl)amino)-3,9,15-trioxo-2,10,14-triaza-6(1,4)-piperazina-1, 11(1,4)-dibenzenacycloheptadecaphane-13-carboxamide
Formula:	C42 H56 N10 O6 S
SMILES:	NC(=N)c1ccc(CNC(=O)[CH]2Cc3ccc(NC(=O)CCN4CCN(CC4)CCC(=O)Nc5ccc(C[CH](N[S](=O)(=O)NC6CCCCC6)C(=O)N2)cc5)cc3)cc1
InChi:	InChI=1S/C42H56N10O6S/c43-40(44)32-12-6-31(7-13-32)28-45-41(55)36-26-29-8-14-33(15-9-29)46-38(53)18-20-51-22-24-52(25-23-51)21-19-39(54)47-34-16-10-30(11-17-34)27-37(42(56)48-36)50-59(57,58)49-35-4-2-1-3-5-35/h6-17,35-37,49-50H,1-5,18-28H2,(H3,43,44)(H,45,55)(H,46,53)(H,47,54)(H,48,56)/t36-,37+/m0/s1
Synonyms:	MI-133
Definition date:	2015-10-27
Last modified:	2020-06-17
Release date:	2016-07-13

5NA

5NA
Name:	2-hydroxy-5-methyl naphthoic acid
Formula:	C12 H10 O3
SMILES:	O=C(O)c1c2c(ccc1O)c(ccc2)C
InChi:	InChI=1S/C12H10O3/c1-7-3-2-4-9-8(7)5-6-10(13)11(9)12(14)15/h2-6,13H,1H3,(H,14,15)
Synonyms:	2-hydroxy-5-methylnaphthalene-1-carboxylic acid
Definition date:	2009-07-10
Last modified:	2020-06-17
Identifier:	2-hydroxy-5-methylnaphthalene-1-carboxylic acid

5NK

5NK
Name:	2-[[2-[[1-(2-azanylethyl)piperidin-4-yl]amino]-4-methyl-benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol
Formula:	C22 H30 N6 O
SMILES:	Cc1ccc(O)c(Cn2c(NC3CCN(CCN)CC3)nc4c(C)cccc24)n1
InChi:	InChI=1S/C22H30N6O/c1-15-4-3-5-19-21(15)26-22(25-17-8-11-27(12-9-17)13-10-23)28(19)14-18-20(29)7-6-16(2)24-18/h3-7,17,29H,8-14,23H2,1-2H3,(H,25,26)
Synonyms:	JNJ-2408068
Definition date:	2015-10-27
Last modified:	2020-06-17
Release date:	2015-12-09
Identifier:	2-[[2-[[1-(2-azanylethyl)piperidin-4-yl]amino]-4-methyl-benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol

5NP

5NP
Name:	(9~{b}~{R})-9~{b}-(4-chlorophenyl)-1-pyridin-3-ylcarbonyl-2,3-dihydroimidazo[5,6]pyrrolo[1,2-~{a}]pyridin-5-one
Formula:	C21 H15 Cl N4 O2
SMILES:	Clc1ccc(cc1)[C]23N(CCN2C(=O)c4ccncc34)C(=O)c5cccnc5
InChi:	InChI=1S/C21H15ClN4O2/c22-16-5-3-15(4-6-16)21-18-13-24-9-7-17(18)20(28)26(21)11-10-25(21)19(27)14-2-1-8-23-12-14/h1-9,12-13H,10-11H2/t21-/m0/s1
Synonyms:	BTA-9881
Definition date:	2015-10-27
Last modified:	2020-06-17
Release date:	2015-12-09
Identifier:	(9~{b}~{R})-9~{b}-(4-chlorophenyl)-1-pyridin-3-ylcarbonyl-2,3-dihydroimidazo[5,6]pyrrolo[1,2-~{a}]pyridin-5-one

EZL

EZL
Name:	6-ethoxy-1,3-benzothiazole-2-sulfonamide
Formula:	C9 H10 N2 O3 S2
SMILES:	O=S(=O)(c1nc2ccc(OCC)cc2s1)N
InChi:	InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
Synonyms:	Ethoxzolamide
Definition date:	2008-02-21
Last modified:	2020-06-17
Identifier:	6-ethoxy-1,3-benzothiazole-2-sulfonamide

5OD

5OD
Name:	6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine
Formula:	C16 H19 Cl2 N5
SMILES:	CC1(N)CCN(CC1)c2cnc(c(N)n2)c3cccc(Cl)c3Cl
InChi:	InChI=1S/C16H19Cl2N5/c1-16(20)5-7-23(8-6-16)12-9-21-14(15(19)22-12)10-3-2-4-11(17)13(10)18/h2-4,9H,5-8,20H2,1H3,(H2,19,22)
Synonyms:	SHP099
Definition date:	2015-10-29
Last modified:	2020-06-17
Release date:	2016-06-29
Identifier:	6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine

F01

F01
Name:	4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-pyrimidin-2-one
Formula:	C9 H12 F N3 O5
SMILES:	FC=1C(=NC(=O)N(C=1)C2OC(C(O)C2O)CO)N
InChi:	InChI=1S/C9H12FN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)/t4-,5-,6-,8-/m1/s1
Synonyms:	4-amino-5-fluoro-1-((2R,3S,4R,5R)-tetrahydro-3,4-dihydroxy-5-(hydroxymethyl)furan-2-yl)pyrimidin-2(1H)-one
Definition date:	2008-09-29
Last modified:	2020-06-17
Identifier:	5-fluorocytidine

5OP

5OP
Name:	(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-5,13-DIEN-1-OIC ACID
Formula:	C20 H30 O5
SMILES:	O=C(O)CCC/C=C/CC1C(=O)CC(O)C1C=CC(=O)CCCCC
InChi:	InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-17,19,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4?,13-12+
Synonyms:	15-OXO-PGE2
Definition date:	2003-11-11
Last modified:	2020-06-17
Identifier:	(8beta,13E)-11-hydroxy-9,15-dioxoprosta-5,13-dien-1-oic acid

5OY

5OY
Name:	5-phosphono-L-norvaline
Formula:	C5 H12 N O5 P
SMILES:	N[CH](CCC[P](O)(O)=O)C(O)=O
InChi:	InChI=1S/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)/t4-/m0/s1
Synonyms:	(2~{S})-2-azanyl-5-phosphono-pentanoic acid
Definition date:	2015-11-02
Last modified:	2020-06-17
Release date:	2016-11-09
Identifier:	(2~{S})-2-azanyl-5-phosphono-pentanoic acid

5OZ

5OZ
Name:	2-methylpropanal
Formula:	C4 H8 O
SMILES:	CC(C)C=O
InChi:	InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3
Synonyms:	Isobutyraldehyde
Definition date:	2015-11-03
Last modified:	2020-06-17
Release date:	2016-11-16
Identifier:	2-methylpropanal

F0G

F0G
Name:	(E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-alanine
Formula:	C11 H15 N2 O7 P
SMILES:	n1c(c(O)c(C=NC(C(O)=O)C)c(COP(O)(O)=O)c1)C
InChi:	InChI=1S/C11H15N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3-4,7,14H,5H2,1-2H3,(H,15,16)(H2,17,18,19)/b13-4+/t7-/m0/s1
Synonyms:	PLP-Ala
Definition date:	2018-02-22
Last modified:	2020-06-17
Release date:	2018-03-21
Identifier:	(E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-alanine

5PA

5PA
Name:	N-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-Y-LMETHYL]-1-AMINO-CYCLOPROPANECARBOXYLIC ACID
Formula:	C12 H17 N2 O7 P
SMILES:	O=C(O)C2(NCc1c(cnc(c1O)C)COP(=O)(O)O)CC2
InChi:	InChI=1S/C12H17N2O7P/c1-7-10(15)9(5-14-12(2-3-12)11(16)17)8(4-13-7)6-21-22(18,19)20/h4,14-15H,2-3,5-6H2,1H3,(H,16,17)(H2,18,19,20)
Synonyms:	N-PYRIDOXYL-1-AMINO-CYCLOPROPANECARBOXYLIC ACID-5-MONOPHOSPHATE
Definition date:	1999-10-21
Last modified:	2020-06-17
Identifier:	1-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopropanecarboxylic acid

5PI

5PI
Name:	N-(ETHYLSULFONYL)-5-PROPOXY-L-TRYPTOPHYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-L-GLUTAMAMIDE
Formula:	C29 H39 N7 O6 S
SMILES:	O=C(NCc1ccc(C(=[N@H])N)cc1)C(NC(=O)C(NS(=O)(=O)CC)Cc3c2cc(OCCC)ccc2nc3)CCC(=O)N
InChi:	InChI=1S/C29H39N7O6S/c1-3-13-42-21-9-10-23-22(15-21)20(17-33-23)14-25(36-43(40,41)4-2)29(39)35-24(11-12-26(30)37)28(38)34-16-18-5-7-19(8-6-18)27(31)32/h5-10,15,17,24-25,33,36H,3-4,11-14,16H2,1-2H3,(H2,30,37)(H3,31,32)(H,34,38)(H,35,39)/t24-,25+/m0/s1
Synonyms:	2-[2-ETHANESULFONYLAMINO-3-(5-PROPOXY-1H-INDOL-3-YL)-PROPIONYLAMINO]-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIMIDOYL-BENZYLAMIDE)
Definition date:	2004-12-17
Last modified:	2020-06-17
Identifier:	N-(ethylsulfonyl)-5-propoxy-D-tryptophyl-N~1~-(4-carbamimidoylbenzyl)-L-glutamamide

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