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RDZ

RDZ
Name:	Geranyl phosphate
Formula:	C10 H19 O4 P
SMILES:	CC(C)=CCCC(C)=CCO[P](O)(O)=O
InChi:	InChI=1S/C10H19O4P/c1-9(2)5-4-6-10(3)7-8-14-15(11,12)13/h5,7H,4,6,8H2,1-3H3,(H2,11,12,13)/b10-7+
Synonyms:	[(2E)-3,7-dimethylocta-2,6-dienyl] dihydrogen phosphate
Definition date:	2020-09-28
Last modified:	2022-01-28
Release date:	2022-02-02
Identifier:	[(2~{E})-3,7-dimethylocta-2,6-dienyl] dihydrogen phosphate

0UD

0UD
Name:	N-[2,6-di(propan-2-yl)phenyl]-N'-(N-ethylcarbamimidoyl)urea
Formula:	C16 H26 N4 O
SMILES:	O=C(Nc1c(cccc1C(C)C)C(C)C)NC(=N)NCC
InChi:	InChI=1S/C16H26N4O/c1-6-18-15(17)20-16(21)19-14-12(10(2)3)8-7-9-13(14)11(4)5/h7-11H,6H2,1-5H3,(H4,17,18,19,20,21)
Definition date:	2021-06-15
Last modified:	2022-01-28
Release date:	2022-02-02
Identifier:	N-[2,6-di(propan-2-yl)phenyl]-N'-(N-ethylcarbamimidoyl)urea

10I

10I
Name:	N-(2,6-diethylphenyl)-N'-(N-propylcarbamimidoyl)urea
Formula:	C15 H24 N4 O
SMILES:	O=C(Nc1c(cccc1CC)CC)NC(=N)NCCC
InChi:	InChI=1S/C15H24N4O/c1-4-10-17-14(16)19-15(20)18-13-11(5-2)8-7-9-12(13)6-3/h7-9H,4-6,10H2,1-3H3,(H4,16,17,18,19,20)
Definition date:	2021-06-21
Last modified:	2022-01-28
Release date:	2022-02-02
Identifier:	N-(2,6-diethylphenyl)-N'-(N-propylcarbamimidoyl)urea

17I

17I
Name:	N-(2,6-diethylphenyl)-N'-(N-methylcarbamimidoyl)urea
Formula:	C13 H20 N4 O
SMILES:	O=C(Nc1c(cccc1CC)CC)NC(=N)NC
InChi:	InChI=1S/C13H20N4O/c1-4-9-7-6-8-10(5-2)11(9)16-13(18)17-12(14)15-3/h6-8H,4-5H2,1-3H3,(H4,14,15,16,17,18)
Definition date:	2021-06-21
Last modified:	2022-01-28
Release date:	2022-02-02
Identifier:	N-(2,6-diethylphenyl)-N'-(N-methylcarbamimidoyl)urea

H5C

H5C
Name:	9-[(2R,3R,4R)-5-(hydroxymethyl)-3-methoxy-4-oxidanyl-oxolan-2-yl]-3H-purine-2,6-dione
Formula:	C11 H14 N4 O6
SMILES:	CO[CH]1[CH](O)[CH](CO)O[CH]1n2cnc3C(=O)NC(=O)Nc23
InChi:	InChI=1S/C11H14N4O6/c1-20-7-6(17)4(2-16)21-10(7)15-3-12-5-8(15)13-11(19)14-9(5)18/h3-4,6-7,10,16-17H,2H2,1H3,(H2,13,14,18,19)/t4-,6-,7-,10-/m1/s1
Definition date:	2020-11-12
Last modified:	2022-01-28
Release date:	2022-02-02
Identifier:	9-[(2~{R},3~{R},4~{R})-5-(hydroxymethyl)-3-methoxy-4-oxidanyl-oxolan-2-yl]-3~{H}-purine-2,6-dione

H5F

H5F
Name:	6-azanyl-9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1H-purin-2-one
Formula:	C10 H13 N5 O5
SMILES:	NC1=C2N=CN([CH]3O[CH](CO)[CH](O)[CH]3O)C2=NC(=O)N1
InChi:	InChI=1S/C10H13N5O5/c11-7-4-8(14-10(19)13-7)15(2-12-4)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1
Definition date:	2020-11-12
Last modified:	2022-01-28
Release date:	2022-02-02
Identifier:	6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1~{H}-purin-2-one

H93

H93
Name:	2-azanyl-9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-methyl-purin-6-one
Formula:	C11 H15 N5 O5
SMILES:	CN1C(=Nc2n(cnc2C1=O)[CH]3O[CH](CO)[CH](O)[CH]3O)N
InChi:	InChI=1S/C11H15N5O5/c1-15-9(20)5-8(14-11(15)12)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14)/t4-,6-,7-,10-/m1/s1
Definition date:	2020-11-30
Last modified:	2022-01-28
Release date:	2022-02-02
Identifier:	2-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-methyl-purin-6-one

HD3

HD3
Name:	2-azanyl-7-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
Formula:	C11 H14 N4 O5
SMILES:	NC1=Nc2n(ccc2C(=O)N1)[CH]3O[CH](CO)[CH](O)[CH]3O
InChi:	InChI=1S/C11H14N4O5/c12-11-13-8-4(9(19)14-11)1-2-15(8)10-7(18)6(17)5(3-16)20-10/h1-2,5-7,10,16-18H,3H2,(H3,12,13,14,19)/t5-,6-,7-,10-/m1/s1
Definition date:	2020-12-18
Last modified:	2022-01-28
Release date:	2022-02-02
Identifier:	2-azanyl-7-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3~{H}-pyrrolo[2,3-d]pyrimidin-4-one

HD9

HD9
Name:	(2R,3R,4S,5R)-2-(2-azanyl-6-methoxy-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Formula:	C11 H15 N5 O5
SMILES:	COc1nc(N)nc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O
InChi:	InChI=1S/C11H15N5O5/c1-20-9-5-8(14-11(12)15-9)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15)/t4-,6-,7-,10-/m1/s1
Definition date:	2020-12-18
Last modified:	2022-01-28
Release date:	2022-02-02
Identifier:	(2~{R},3~{R},4~{S},5~{R})-2-(2-azanyl-6-methoxy-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

HOR

HOR
Name:	4-[[(1R,2R)-2-[(3R)-3-azanylpiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-3-chloranyl-benzenecarbonitrile
Formula:	C21 H22 Cl N3 O
SMILES:	N[CH]1CCCN(C1)[CH]2Cc3ccccc3[CH]2Oc4ccc(cc4Cl)C#N
InChi:	InChI=1S/C21H22ClN3O/c22-18-10-14(12-23)7-8-20(18)26-21-17-6-2-1-4-15(17)11-19(21)25-9-3-5-16(24)13-25/h1-2,4,6-8,10,16,19,21H,3,5,9,11,13,24H2/t16-,19-,21-/m1/s1
Synonyms:	SAR7334
Definition date:	2021-01-25
Last modified:	2022-01-28
Release date:	2022-02-02
Identifier:	4-[[(1~{R},2~{R})-2-[(3~{R})-3-azanylpiperidin-1-yl]-2,3-dihydro-1~{H}-inden-1-yl]oxy]-3-chloranyl-benzenecarbonitrile

HR3

HR3
Name:	5-((4-methoxybenzyl)amino)pyridine-2,4-dicarboxylic acid
Formula:	C15 H14 N2 O5
SMILES:	COc1ccc(CNc2cnc(cc2C(O)=O)C(O)=O)cc1
InChi:	InChI=1S/C15H14N2O5/c1-22-10-4-2-9(3-5-10)7-16-13-8-17-12(15(20)21)6-11(13)14(18)19/h2-6,8,16H,7H2,1H3,(H,18,19)(H,20,21)
Definition date:	2021-01-29
Last modified:	2022-01-28
Release date:	2022-02-02
Identifier:	5-[(4-methoxyphenyl)methylamino]pyridine-2,4-dicarboxylic acid

HR9

HR9
Name:	5-(4-phenylbutylamino)pyridine-2,4-dicarboxylic acid
Formula:	C17 H18 N2 O4
SMILES:	OC(=O)c1cc(C(O)=O)c(NCCCCc2ccccc2)cn1
InChi:	InChI=1S/C17H18N2O4/c20-16(21)13-10-14(17(22)23)19-11-15(13)18-9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,10-11,18H,4-5,8-9H2,(H,20,21)(H,22,23)
Definition date:	2021-01-29
Last modified:	2022-01-28
Release date:	2022-02-02
Identifier:	5-(4-phenylbutylamino)pyridine-2,4-dicarboxylic acid

HRF

HRF
Name:	5-(benzylamino)pyridine-2,4-dicarboxylic acid
Formula:	C14 H12 N2 O4
SMILES:	OC(=O)c1cc(C(O)=O)c(NCc2ccccc2)cn1
InChi:	InChI=1S/C14H12N2O4/c17-13(18)10-6-11(14(19)20)16-8-12(10)15-7-9-4-2-1-3-5-9/h1-6,8,15H,7H2,(H,17,18)(H,19,20)
Definition date:	2021-01-29
Last modified:	2022-01-28
Release date:	2022-02-02
Identifier:	5-[(phenylmethyl)amino]pyridine-2,4-dicarboxylic acid

HRL

HRL
Name:	5-((2-methoxybenzyl)amino)pyridine-2,4-dicarboxylic acid
Formula:	C15 H14 N2 O5
SMILES:	COc1ccccc1CNc2cnc(cc2C(O)=O)C(O)=O
InChi:	InChI=1S/C15H14N2O5/c1-22-13-5-3-2-4-9(13)7-16-12-8-17-11(15(20)21)6-10(12)14(18)19/h2-6,8,16H,7H2,1H3,(H,18,19)(H,20,21)
Definition date:	2021-01-29
Last modified:	2022-01-28
Release date:	2022-02-02
Identifier:	5-[(2-methoxyphenyl)methylamino]pyridine-2,4-dicarboxylic acid

HRR

HRR
Name:	5-((2-cyclopropylbenzyl)amino)pyridine-2,4-dicarboxylic acid
Formula:	C17 H16 N2 O4
SMILES:	OC(=O)c1cc(C(O)=O)c(NCc2ccccc2C3CC3)cn1
InChi:	InChI=1S/C17H16N2O4/c20-16(21)13-7-14(17(22)23)19-9-15(13)18-8-11-3-1-2-4-12(11)10-5-6-10/h1-4,7,9-10,18H,5-6,8H2,(H,20,21)(H,22,23)
Definition date:	2021-01-29
Last modified:	2022-01-28
Release date:	2022-02-02
Identifier:	5-[(2-cyclopropylphenyl)methylamino]pyridine-2,4-dicarboxylic acid

08G

08G
Name:	1-[4-(hydroxymethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-1-phenylethyl]urea
Formula:	C16 H17 N5 O2
SMILES:	C[CH](NC(=O)Nc1cc2[nH]ncc2c(CO)n1)c3ccccc3
InChi:	InChI=1S/C16H17N5O2/c1-10(11-5-3-2-4-6-11)18-16(23)20-15-7-13-12(8-17-21-13)14(9-22)19-15/h2-8,10,22H,9H2,1H3,(H,17,21)(H2,18,19,20,23)/t10-/m0/s1
Definition date:	2021-06-01
Last modified:	2022-01-28
Release date:	2022-02-02
Identifier:	1-[4-(hydroxymethyl)-1~{H}-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1~{S})-1-phenylethyl]urea

5II

5II
Name:	methyl 2-deoxy-2-methyl-alpha-D-mannopyranoside
Formula:	C8 H16 O5
SMILES:	CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1C
InChi:	InChI=1S/C8H16O5/c1-4-6(10)7(11)5(3-9)13-8(4)12-2/h4-11H,3H2,1-2H3/t4-,5+,6+,7+,8-/m0/s1
Definition date:	2021-08-18
Last modified:	2022-01-28
Release date:	2022-02-02
Identifier:	(2~{R},3~{S},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-methoxy-5-methyl-oxane-3,4-diol

6WI

6WI
Name:	3-(guanosine-5'-diphospho)-D-glycerate
Formula:	C13 H19 N5 O14 P2
SMILES:	NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH](O)C(O)=O)[CH](O)[CH]3O
InChi:	InChI=1S/C13H19N5O14P2/c14-13-16-9-6(10(22)17-13)15-3-18(9)11-8(21)7(20)5(31-11)2-30-34(27,28)32-33(25,26)29-1-4(19)12(23)24/h3-5,7-8,11,19-21H,1-2H2,(H,23,24)(H,25,26)(H,27,28)(H3,14,16,17,22)/t4-,5-,7-,8-,11-/m1/s1
Synonyms:	3GPPG
Definition date:	2021-08-04
Last modified:	2022-01-28
Release date:	2022-02-02
Identifier:	(2~{R})-3-[[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-2-oxidanyl-propanoic acid

7II

7II
Name:	Sulfoxaflor
Formula:	C10 H10 F3 N3 O S
SMILES:	C[CH](c1ccc(nc1)C(F)(F)F)[S](C)(=O)=NC#N
InChi:	InChI=1S/C10H10F3N3OS/c1-7(18(2,17)16-6-14)8-3-4-9(15-5-8)10(11,12)13/h3-5,7H,1-2H3/t7-,18+/m0/s1
Synonyms:	[methyl-oxidanylidene-[1-[6-(trifluoromethyl)pyridin-3-yl]ethyl]-$l^{6}-sulfanylidene]cyanamide
Definition date:	2021-08-05
Last modified:	2022-01-28
Release date:	2022-02-02
Identifier:	[methyl-oxidanylidene-[1-[6-(trifluoromethyl)pyridin-3-yl]ethyl]-$l^{6}-sulfanylidene]cyanamide

7JI

7JI
Name:	3-[3,5-bis(chloranyl)phenyl]-1-[(2-chloranyl-1,3-thiazol-5-yl)methyl]-9-methyl-pyrido[1,2-a]pyrimidine-2,4-dione
Formula:	C19 H12 Cl3 N3 O2 S
SMILES:	CC1=CC=CN2C(=O)C(=C([O-])[N+](=C12)Cc3sc(Cl)nc3)c4cc(Cl)cc(Cl)c4
InChi:	InChI=1S/C19H12Cl3N3O2S/c1-10-3-2-4-24-16(10)25(9-14-8-23-19(22)28-14)18(27)15(17(24)26)11-5-12(20)7-13(21)6-11/h2-8H,9H2,1H3
Definition date:	2021-08-09
Last modified:	2022-01-28
Release date:	2022-02-02
Identifier:	3-[3,5-bis(chloranyl)phenyl]-1-[(2-chloranyl-1,3-thiazol-5-yl)methyl]-9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-1-ium-2-olate

7OB

7OB
Name:	4-oxidanylidene-1-(pyrimidin-5-ylmethyl)-3-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-1-ium-2-olate
Formula:	C20 H13 F3 N4 O2
SMILES:	[O-]C1=C(C(=O)N2C=CC=CC2=[N+]1Cc3cncnc3)c4cccc(c4)C(F)(F)F
InChi:	InChI=1S/C20H13F3N4O2/c21-20(22,23)15-5-3-4-14(8-15)17-18(28)26-7-2-1-6-16(26)27(19(17)29)11-13-9-24-12-25-10-13/h1-10,12H,11H2
Synonyms:	Triflumezopyrim
Definition date:	2021-08-10
Last modified:	2022-01-28
Release date:	2022-02-02
Identifier:	4-oxidanylidene-1-(pyrimidin-5-ylmethyl)-3-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-1-ium-2-olate

7OF

7OF
Name:	(~{N}~{E})-~{N}-[1-[(6-chloranylpyridin-3-yl)methyl]pyridin-2-ylidene]-2,2,2-tris(fluoranyl)ethanamide
Formula:	C13 H9 Cl F3 N3 O
SMILES:	FC(F)(F)C(=O)N=C1C=CC=CN1Cc2ccc(Cl)nc2
InChi:	InChI=1S/C13H9ClF3N3O/c14-10-5-4-9(7-18-10)8-20-6-2-1-3-11(20)19-12(21)13(15,16)17/h1-7H,8H2/b19-11+
Definition date:	2021-08-10
Last modified:	2022-01-28
Release date:	2022-02-02
Identifier:	(~{N}~{E})-~{N}-[1-[(6-chloranylpyridin-3-yl)methyl]pyridin-2-ylidene]-2,2,2-tris(fluoranyl)ethanamide

80P

80P
Name:	(4S,4aS,5aR,12aS)-4-(diethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-8-[(2S)-pyrrolidin-2-yl]-7-(trifluoromethyl)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
Formula:	C28 H32 F3 N3 O7
SMILES:	NC(=O)C=1C(=O)C2(O)C(O)=C3C(=O)c4c(CC3CC2C(N(CC)CC)C=1O)c(c(cc4O)C1CCCN1)C(F)(F)F
InChi:	InChI=1S/C28H32F3N3O7/c1-3-34(4-2)21-14-9-11-8-13-18(16(35)10-12(15-6-5-7-33-15)20(13)28(29,30)31)22(36)17(11)24(38)27(14,41)25(39)19(23(21)37)26(32)40/h10-11,14-15,21,33,35,37-38,41H,3-9H2,1-2H3,(H2,32,40)/t11-,14-,15-,21-,27-/m0/s1
Synonyms:	TP-6076
Definition date:	2021-08-25
Last modified:	2022-01-28
Release date:	2022-02-02
Identifier:	(4S,4aS,5aR,12aS)-4-(diethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-8-[(2S)-pyrrolidin-2-yl]-7-(trifluoromethyl)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide

81K

81K
Name:	(Z)-hexadec-9-enal
Formula:	C16 H30 O
SMILES:	CCCCCCC=CCCCCCCCC=O
InChi:	InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h7-8,16H,2-6,9-15H2,1H3/b8-7-
Definition date:	2021-11-11
Last modified:	2022-01-28
Release date:	2022-02-02
Identifier:	(~{Z})-hexadec-9-enal

85B

85B
Name:	2-[2,6-dimethyl-4-[[5-oxidanylidene-4-[4-(trifluoromethyloxy)phenyl]-1,2,4-triazol-1-yl]methyl]phenoxy]-2-methyl-propanoic acid
Formula:	C22 H22 F3 N3 O5
SMILES:	Cc1cc(CN2N=CN(C2=O)c3ccc(OC(F)(F)F)cc3)cc(C)c1OC(C)(C)C(O)=O
InChi:	InChI=1S/C22H22F3N3O5/c1-13-9-15(10-14(2)18(13)33-21(3,4)19(29)30)11-28-20(31)27(12-26-28)16-5-7-17(8-6-16)32-22(23,24)25/h5-10,12H,11H2,1-4H3,(H,29,30)
Definition date:	2021-11-25
Last modified:	2022-01-28
Release date:	2022-02-02
Identifier:	2-[2,6-dimethyl-4-[[5-oxidanylidene-4-[4-(trifluoromethyloxy)phenyl]-1,2,4-triazol-1-yl]methyl]phenoxy]-2-methyl-propanoic acid

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