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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

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

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

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

QAK

QAK
Name:	(6~{R},10~{S},14~{R},19~{R},23~{S},24~{E},27~{S},28~{E})-2,6,10,14,19,23,27,31-octamethyldotriaconta-24,28-dien-2-ol
Formula:	C40 H78 O
SMILES:	CC(C)CC=C[CH](C)CC=C[CH](C)CCC[CH](C)CCCC[CH](C)CCC[CH](C)CCC[CH](C)CCCC(C)(C)O
InChi:	InChI=1S/C40H78O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h13,16,22,28,33-39,41H,11-12,14-15,17-21,23-27,29-32H2,1-10H3/b22-13+,28-16+/t34-,35-,36-,37+,38+,39-/m1/s1
Definition date:	2020-05-30
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	(6~{R},10~{S},14~{R},19~{R},23~{S},24~{E},27~{S},28~{E})-2,6,10,14,19,23,27,31-octamethyldotriaconta-24,28-dien-2-ol

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

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

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

WPS

WPS
Name:	5-amino-3-methyl-1H-pyrazole-4-carbonitrile
Formula:	C5 H6 N4
SMILES:	n1nc(c(C#N)c1N)C
InChi:	InChI=1S/C5H6N4/c1-3-4(2-6)5(7)9-8-3/h1H3,(H3,7,8,9)
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	5-amino-3-methyl-1H-pyrazole-4-carbonitrile

WPV

WPV
Name:	1-(5-bromopyridin-3-yl)methanamine
Formula:	C6 H7 Br N2
SMILES:	n1cc(cc(c1)Br)CN
InChi:	InChI=1S/C6H7BrN2/c7-6-1-5(2-8)3-9-4-6/h1,3-4H,2,8H2
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	1-(5-bromopyridin-3-yl)methanamine

WPY

WPY
Name:	N-(1,3-thiazol-2-yl)acetamide
Formula:	C5 H6 N2 O S
SMILES:	n1c(NC(=O)C)scc1
InChi:	InChI=1S/C5H6N2OS/c1-4(8)7-5-6-2-3-9-5/h2-3H,1H3,(H,6,7,8)
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	N-(1,3-thiazol-2-yl)acetamide

WQ4

WQ4
Name:	5-amino-2-methyl-1,3-oxazole-4-carbonitrile
Formula:	C5 H5 N3 O
SMILES:	N#Cc1c(oc(n1)C)N
InChi:	InChI=1S/C5H5N3O/c1-3-8-4(2-6)5(7)9-3/h7H2,1H3
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	5-amino-2-methyl-1,3-oxazole-4-carbonitrile

WQ7

WQ7
Name:	1-(2-aminoethyl)pyridin-2(1H)-one
Formula:	C7 H10 N2 O
SMILES:	NCCN1C(C=CC=C1)=O
InChi:	InChI=1S/C7H10N2O/c8-4-6-9-5-2-1-3-7(9)10/h1-3,5H,4,6,8H2
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	1-(2-aminoethyl)pyridin-2(1H)-one

WQA

WQA
Name:	2H-pyrazolo[3,4-b]pyridin-5-amine
Formula:	C6 H6 N4
SMILES:	n1c2c(cc(N)c1)cnn2
InChi:	InChI=1S/C6H6N4/c7-5-1-4-2-9-10-6(4)8-3-5/h1-3H,7H2,(H,8,9,10)
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	2H-pyrazolo[3,4-b]pyridin-5-amine

WQG

WQG
Name:	quinazolin-4(3H)-one
Formula:	C8 H6 N2 O
SMILES:	N2C=Nc1c(cccc1)C2=O
InChi:	InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	quinazolin-4(3H)-one

WQJ

WQJ
Name:	7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine
Formula:	C8 H10 N2 O
SMILES:	Nc2cnc1CCOCc1c2
InChi:	InChI=1S/C8H10N2O/c9-7-3-6-5-11-2-1-8(6)10-4-7/h3-4H,1-2,5,9H2
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine

WQV

WQV
Name:	N-(5-bromo-2-oxo-1,2-dihydropyridin-3-yl)acetamide
Formula:	C7 H7 Br N2 O2
SMILES:	N1C(=O)C(NC(=O)C)=CC(=C1)Br
InChi:	InChI=1S/C7H7BrN2O2/c1-4(11)10-6-2-5(8)3-9-7(6)12/h2-3H,1H3,(H,9,12)(H,10,11)
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	N-(5-bromo-2-oxo-1,2-dihydropyridin-3-yl)acetamide

WQY

WQY
Name:	1-(quinolin-3-yl)methanamine
Formula:	C10 H10 N2
SMILES:	n2c1ccccc1cc(CN)c2
InChi:	InChI=1S/C10H10N2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-5,7H,6,11H2
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	1-(quinolin-3-yl)methanamine

W9D

W9D
Name:	5-{[4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino}-3,3-dimethyl-2-benzofuran-1(3H)-one
Formula:	C24 H22 N6 O4
SMILES:	c1cc(cc2c1C(OC2(C)C)=O)Nc4ncc(c3ocnn3)c(n4)NC(CO)c5ccccc5
InChi:	InChI=1S/C24H22N6O4/c1-24(2)18-10-15(8-9-16(18)22(32)34-24)27-23-25-11-17(21-30-26-13-33-21)20(29-23)28-19(12-31)14-6-4-3-5-7-14/h3-11,13,19,31H,12H2,1-2H3,(H2,25,27,28,29)/t19-/m1/s1
Definition date:	2020-10-01
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	5-{[4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino}-3,3-dimethyl-2-benzofuran-1(3H)-one

WRD

WRD
Name:	(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-ol
Formula:	C10 H13 N O
SMILES:	NC2CCCc1c(cccc12)O
InChi:	InChI=1S/C10H13NO/c11-9-5-1-4-8-7(9)3-2-6-10(8)12/h2-3,6,9,12H,1,4-5,11H2/t9-/m1/s1
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-ol

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