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ODW

ODW
Name:	(1~{R},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-1,2,3-triol
Formula:	C8 H15 N O4
SMILES:	OC[CH]1[CH](O)[CH](O)[C]2(O)CC[CH]1N2
InChi:	InChI=1S/C8H15NO4/c10-3-4-5-1-2-8(13,9-5)7(12)6(4)11/h4-7,9-13H,1-3H2/t4-,5+,6-,7-,8+/m0/s1
Synonyms:	galacto-noeurostegine
Definition date:	2020-02-28
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	(1~{R},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-1,2,3-triol

W3A

W3A
Name:	(4-bromo-1H-pyrazol-1-yl)acetic acid
Formula:	C5 H5 Br N2 O2
SMILES:	n1cc(cn1CC(=O)O)Br
InChi:	InChI=1S/C5H5BrN2O2/c6-4-1-7-8(2-4)3-5(9)10/h1-2H,3H2,(H,9,10)
Definition date:	2020-09-24
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	(4-bromo-1H-pyrazol-1-yl)acetic acid

W3D

W3D
Name:	(4-bromo-2-oxopyridin-1(2H)-yl)acetic acid
Formula:	C7 H6 Br N O3
SMILES:	C1=CN(C(C=C1Br)=O)CC(=O)O
InChi:	InChI=1S/C7H6BrNO3/c8-5-1-2-9(4-7(11)12)6(10)3-5/h1-3H,4H2,(H,11,12)
Definition date:	2020-09-24
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	(4-bromo-2-oxopyridin-1(2H)-yl)acetic acid

W3G

W3G
Name:	pyridazin-3(2H)-one
Formula:	C4 H4 N2 O
SMILES:	N1N=CC=CC1=O
InChi:	InChI=1S/C4H4N2O/c7-4-2-1-3-5-6-4/h1-3H,(H,6,7)
Definition date:	2020-09-24
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	pyridazin-3(2H)-one

W3J

W3J
Name:	1,4,5,6-tetrahydropyrimidin-2-amine
Formula:	C4 H9 N3
SMILES:	N1C(N)=NCCC1
InChi:	InChI=1S/C4H9N3/c5-4-6-2-1-3-7-4/h1-3H2,(H3,5,6,7)
Definition date:	2020-09-24
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	1,4,5,6-tetrahydropyrimidin-2-amine

W3M

W3M
Name:	1H-imidazole-5-carbonitrile
Formula:	C4 H3 N3
SMILES:	n1cncc1C#N
InChi:	InChI=1S/C4H3N3/c5-1-4-2-6-3-7-4/h2-3H,(H,6,7)
Definition date:	2020-09-24
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	1H-imidazole-5-carbonitrile

W3P

W3P
Name:	1,8-naphthyridine
Formula:	C8 H6 N2
SMILES:	n1cccc2cccnc12
InChi:	InChI=1S/C8H6N2/c1-3-7-4-2-6-10-8(7)9-5-1/h1-6H
Definition date:	2020-09-24
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	1,8-naphthyridine

W3S

W3S
Name:	[1,2,4]triazolo[4,3-a]pyridin-3-amine
Formula:	C6 H6 N4
SMILES:	n2c(n1ccccc1n2)N
InChi:	InChI=1S/C6H6N4/c7-6-9-8-5-3-1-2-4-10(5)6/h1-4H,(H2,7,9)
Definition date:	2020-09-24
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	[1,2,4]triazolo[4,3-a]pyridin-3-amine

W3V

W3V
Name:	1-carbamoylpiperidine-4-carboxylic acid
Formula:	C7 H12 N2 O3
SMILES:	N1(CCC(CC1)C(O)=O)C(N)=O
InChi:	InChI=1S/C7H12N2O3/c8-7(12)9-3-1-5(2-4-9)6(10)11/h5H,1-4H2,(H2,8,12)(H,10,11)
Definition date:	2020-09-24
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	1-carbamoylpiperidine-4-carboxylic acid

W3Y

W3Y
Name:	(5S)-1-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
Formula:	C10 H9 Cl N2 O2
SMILES:	N2C(N(c1ccc(cc1)Cl)C(C2=O)C)=O
InChi:	InChI=1S/C10H9ClN2O2/c1-6-9(14)12-10(15)13(6)8-4-2-7(11)3-5-8/h2-6H,1H3,(H,12,14,15)/t6-/m0/s1
Definition date:	2020-09-24
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	(5S)-1-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione

Q39

Q39
Name:	1-[3-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)propanoyl]piperidine-4-carboxamide
Formula:	C17 H21 N3 O2 S2
SMILES:	Cc1sc(CCC(=O)N2CCC(CC2)C(N)=O)c(n1)c3sccc3
InChi:	InChI=1S/C17H21N3O2S2/c1-11-19-16(13-3-2-10-23-13)14(24-11)4-5-15(21)20-8-6-12(7-9-20)17(18)22/h2-3,10,12H,4-9H2,1H3,(H2,18,22)
Definition date:	2020-08-14
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	1-[3-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)propanoyl]piperidine-4-carboxamide

YK8

YK8
Name:	20alpha-hydroxy-20-(5-methylhexyl)cholesterol
Formula:	C28 H48 O2
SMILES:	CC(C)CCCC[C](C)(O)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C
InChi:	InChI=1S/C28H48O2/c1-19(2)8-6-7-15-28(5,30)25-12-11-23-22-10-9-20-18-21(29)13-16-26(20,3)24(22)14-17-27(23,25)4/h9,19,21-25,29-30H,6-8,10-18H2,1-5H3/t21-,22-,23-,24-,25-,26-,27-,28-/m0/s1
Definition date:	2020-11-17
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	(3~{S},8~{S},9~{S},10~{R},13~{S},14~{S},17~{S})-10,13-dimethyl-17-[(2~{S})-7-methyl-2-oxidanyl-octan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-ol

374

374
Name:	(2-fluoranyl-4-methoxy-phenyl)-[(3~{R},5~{R})-4-(2-fluoranyl-4-methoxy-phenyl)carbonyl-3,5-dimethyl-piperazin-1-yl]methanone
Formula:	C22 H24 F2 N2 O4
SMILES:	COc1ccc(c(F)c1)C(=O)N2C[CH](C)N([CH](C)C2)C(=O)c3ccc(OC)cc3F
InChi:	InChI=1S/C22H24F2N2O4/c1-13-11-25(21(27)17-7-5-15(29-3)9-19(17)23)12-14(2)26(13)22(28)18-8-6-16(30-4)10-20(18)24/h5-10,13-14H,11-12H2,1-4H3/t13-,14-/m1/s1
Definition date:	2020-03-06
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	(2-fluoranyl-4-methoxy-phenyl)-[(3~{R},5~{R})-4-(2-fluoranyl-4-methoxy-phenyl)carbonyl-3,5-dimethyl-piperazin-1-yl]methanone

X2G

X2G
Name:	4-{3-[(E)-2-cyanoethenyl]-5-fluorophenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate
Formula:	C21 H15 F2 N3 O7 S
SMILES:	[C@H](=CC#N)c1cc(cc(c1)Oc2ccc(cc2OCCN3C(NC(=O)C=C3)=O)OS(=O)(=O)F)F
InChi:	InChI=1S/C21H15F2N3O7S/c22-15-10-14(2-1-6-24)11-17(12-15)32-18-4-3-16(33-34(23,29)30)13-19(18)31-9-8-26-7-5-20(27)25-21(26)28/h1-5,7,10-13H,8-9H2,(H,25,27,28)/b2-1+
Definition date:	2020-11-23
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	4-{3-[(E)-2-cyanoethenyl]-5-fluorophenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate

X2J

X2J
Name:	4-{3-chloro-5-[(E)-2-cyanoethenyl]phenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate
Formula:	C21 H15 Cl F N3 O7 S
SMILES:	[C@H](C#N)=Cc1cc(cc(c1)Oc2ccc(cc2OCCN3C(NC(=O)C=C3)=O)OS(=O)(=O)F)Cl
InChi:	InChI=1S/C21H15ClFN3O7S/c22-15-10-14(2-1-6-24)11-17(12-15)32-18-4-3-16(33-34(23,29)30)13-19(18)31-9-8-26-7-5-20(27)25-21(26)28/h1-5,7,10-13H,8-9H2,(H,25,27,28)/b2-1+
Definition date:	2020-11-23
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	4-{3-chloro-5-[(E)-2-cyanoethenyl]phenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate

X2S

X2S
Name:	4-(3-chloro-5-cyanophenoxy)-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate
Formula:	C19 H13 Cl F N3 O7 S
SMILES:	N#Cc3cc(Oc1c(cc(cc1)OS(=O)(=O)F)OCCN2C=CC(=O)NC2=O)cc(c3)Cl
InChi:	InChI=1S/C19H13ClFN3O7S/c20-13-7-12(11-22)8-15(9-13)30-16-2-1-14(31-32(21,27)28)10-17(16)29-6-5-24-4-3-18(25)23-19(24)26/h1-4,7-10H,5-6H2,(H,23,25,26)
Definition date:	2020-11-23
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	4-(3-chloro-5-cyanophenoxy)-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate

X2V

X2V
Name:	4-[(6-cyanonaphthalen-1-yl)oxy]-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate
Formula:	C23 H16 F N3 O7 S
SMILES:	c4(C#N)ccc1c(cccc1Oc2ccc(cc2OCCN3C=CC(=O)NC3=O)OS(F)(=O)=O)c4
InChi:	InChI=1S/C23H16FN3O7S/c24-35(30,31)34-17-5-7-20(21(13-17)32-11-10-27-9-8-22(28)26-23(27)29)33-19-3-1-2-16-12-15(14-25)4-6-18(16)19/h1-9,12-13H,10-11H2,(H,26,28,29)
Definition date:	2020-11-23
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	4-[(6-cyanonaphthalen-1-yl)oxy]-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate

SYQ

SYQ
Name:	(S)-N-(1-cyclopropylethyl)-6-methylpicolinamide
Formula:	C12 H16 N2 O
SMILES:	C[CH](NC(=O)c1cccc(C)n1)C2CC2
InChi:	InChI=1S/C12H16N2O/c1-8-4-3-5-11(13-8)12(15)14-9(2)10-6-7-10/h3-5,9-10H,6-7H2,1-2H3,(H,14,15)/t9-/m0/s1
Synonyms:	~{N}-[(1~{S})-1-cyclopropylethyl]-6-methyl-pyridine-2-carboxamide
Definition date:	2020-12-07
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	~{N}-[(1~{S})-1-cyclopropylethyl]-6-methyl-pyridine-2-carboxamide

S5T

S5T
Name:	Monolacunary Keggin (STA)
Formula:	O39 Si W11
SMILES:	O=[W]12(=O)O[W]345(=O)O[W]678(=O)O[W]9%10(=O)(O3)O[W]%11%12%13(=O)O[W]%14%15(=O)(O6)O[W]%16%17(=O)(O7)O[W]%18(=O)(O1)(O4)O[W]%19(=O)(=O)(O%16)O[W](=O)(=O)(O%14)(O%11)[O]%12%15[Si](O[W](=O)(=O)(O2)(O9)O%13)([O]58%10)[O]%17%18%19
InChi:	InChI=1S/O4Si.35O.11W/c1-5(2,3)4
Definition date:	2020-11-09
Last modified:	2021-01-08
Release date:	2021-01-13

S65

S65
Name:	heptachlor endo-epoxide
Formula:	C10 H5 Cl7 O
SMILES:	Cl[CH]1[CH]2O[CH]2[CH]3[CH]1[C]4(Cl)C(=C(Cl)[C]3(Cl)C4(Cl)Cl)Cl
InChi:	InChI=1S/C10H5Cl7O/c11-3-1-2(4-5(3)18-4)9(15)7(13)6(12)8(1,14)10(9,16)17/h1-5H/t1-,2+,3+,4+,5-,8+,9-/m0/s1
Synonyms:	(1aR,1bR,5aS,6R,6aR)-2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-2H-2,5-methanoindeno[1,2-b]oxirene
Definition date:	2020-11-10
Last modified:	2021-01-08
Release date:	2021-01-13

S68

S68
Name:	endosulfan
Formula:	C9 H6 Cl6 O3 S
SMILES:	ClC1=C(Cl)[C]2(Cl)[CH]3CO[S](=O)OC[CH]3[C]1(Cl)C2(Cl)Cl
InChi:	InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2/t3-,4+,7-,8+,19+
Synonyms:	6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methanobenzo[e][1,3,2]dioxathiepine 3-oxide
Definition date:	2020-11-10
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	(1~{S},2~{R},8~{S},9~{R})-1,9,10,11,12,12-hexakis(chloranyl)-4,6-dioxa-5$l^{4}-thiatricyclo[7.2.1.0^{2,8}]dodec-10-ene 5-oxide

OJB

OJB
Name:	5-[(2~{R},3~{R},4~{R},5~{R},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-~{N}-[3-(propanoylamino)propyl]pentanamide
Formula:	C19 H35 N3 O8
SMILES:	CCC(=O)NCCCNC(=O)CCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1NC(C)=O
InChi:	InChI=1S/C19H35N3O8/c1-3-14(25)20-8-6-9-21-15(26)7-4-5-10-29-19-16(22-12(2)24)18(28)17(27)13(11-23)30-19/h13,16-19,23,27-28H,3-11H2,1-2H3,(H,20,25)(H,21,26)(H,22,24)/t13-,16-,17+,18-,19-/m1/s1
Definition date:	2020-03-13
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	5-[(2~{R},3~{R},4~{R},5~{R},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-~{N}-[3-(propanoylamino)propyl]pentanamide

S6E

S6E
Name:	(-)cis-chlordane
Formula:	C10 H6 Cl8
SMILES:	Cl[CH]1C[CH]2[CH]([CH]1Cl)[C]3(Cl)C(=C(Cl)[C]2(Cl)C3(Cl)Cl)Cl
InChi:	InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2/t2-,3-,4-,5-,8-,9+/m1/s1
Synonyms:	(1~{S},2~{R},3~{S},4~{R},6~{R},7~{R})-1,3,4,7,8,9,10,10-octakis(chloranyl)tricyclo[5.2.1.0^{2,6}]dec-8-ene
Definition date:	2020-11-10
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	(1~{S},2~{R},3~{S},4~{R},6~{R},7~{R})-1,3,4,7,8,9,10,10-octakis(chloranyl)tricyclo[5.2.1.0^{2,6}]dec-8-ene

S6H

S6H
Name:	(+)cis-chlordane
Formula:	C10 H6 Cl8
SMILES:	Cl[CH]1C[CH]2[CH]([CH]1Cl)[C]3(Cl)C(=C(Cl)[C]2(Cl)C3(Cl)Cl)Cl
InChi:	InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2/t2-,3-,4-,5-,8-,9+/m0/s1
Synonyms:	(1~{R},2~{S},3~{R},4~{S},6~{S},7~{S})-1,3,4,7,8,9,10,10-octakis(chloranyl)tricyclo[5.2.1.0^{2,6}]dec-8-ene
Definition date:	2020-11-10
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	(1~{R},2~{S},3~{R},4~{S},6~{S},7~{S})-1,3,4,7,8,9,10,10-octakis(chloranyl)tricyclo[5.2.1.0^{2,6}]dec-8-ene

WOY

WOY
Name:	6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
Formula:	C6 H7 N3
SMILES:	n2c1NCCc1cnc2
InChi:	InChI=1S/C6H7N3/c1-2-8-6-5(1)3-7-4-9-6/h3-4H,1-2H2,(H,7,8,9)
Definition date:	2020-11-02
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine

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