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G5F

G5F
Name:	[(2~{S},3~{S},4~{R})-4-[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-5-[[(2~{S},3~{R})-2,3-bis(oxidanyl)butoxy]-oxidanyl-phosphoryl]oxy-2,3-bis(oxidanyl)pentyl] [(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate
Formula:	C23 H47 N O24 P2
SMILES:	CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[CH](CO[P](O)(=O)OC[CH](O)[CH](O)C(O)CO)[CH](O)[CH](O)CO[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CO
InChi:	InChI=1S/C23H47NO24P2/c1-9(28)24-17-22(38)21(37)15(4-27)47-23(17)48-16(8-46-50(41,42)44-6-13(32)19(35)11(30)3-26)20(36)14(33)7-45-49(39,40)43-5-12(31)18(34)10(29)2-25/h10-23,25-27,29-38H,2-8H2,1H3,(H,24,28)(H,39,40)(H,41,42)/t10-,11?,12+,13-,14-,15+,16+,17+,18-,19+,20-,21+,22+,23-/m0/s1
Definition date:	2022-01-27
Last modified:	2022-08-26
Release date:	2022-08-31
Identifier:	[(2~{R},3~{S},4~{S})-2-[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)-5-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentoxy]phosphoryl]oxy-pentyl] [(2~{S},3~{R},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate

G6N

G6N
Name:	[(2~{S},3~{S},4~{R})-4-[(2~{R},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2,3-bis(oxidanyl)-5-[oxidanyl-[(2~{R})-2-oxidanylpropoxy]phosphoryl]oxy-pentyl] [(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate
Formula:	C23 H47 N O24 P2
SMILES:	CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[CH](CO[P](O)(=O)OC[CH](O)C(O)C(O)CO)[CH](O)[CH](O)CO[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CO
InChi:	InChI=1S/C23H47NO24P2/c1-9(28)24-17-22(38)21(37)15(4-27)47-23(17)48-16(8-46-50(41,42)44-6-13(32)19(35)11(30)3-26)20(36)14(33)7-45-49(39,40)43-5-12(31)18(34)10(29)2-25/h10-23,25-27,29-38H,2-8H2,1H3,(H,24,28)(H,39,40)(H,41,42)/t10-,11?,12+,13-,14-,15+,16+,17+,18-,19?,20-,21+,22+,23+/m0/s1
Definition date:	2022-01-27
Last modified:	2022-08-26
Release date:	2022-08-31
Identifier:	[(2~{R},3~{S},4~{S})-2-[(2~{R},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)-5-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentoxy]phosphoryl]oxy-pentyl] [(2~{S},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate

G7C

G7C
Name:	[(2~{S},4~{R})-3-[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2,4-bis(oxidanyl)-5-[oxidanyl-[(2~{S})-2,3,4,5-tetrakis(oxidanyl)pentoxy]phosphoryl]oxy-pentyl] [(2~{R},3~{S})-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate
Formula:	C23 H47 N O24 P2
SMILES:	CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[CH]([CH](O)CO[P](O)(=O)OC[CH](O)[CH](O)C(O)CO)[CH](O)CO[P](O)(=O)OC[CH](O)C(O)C(O)CO
InChi:	InChI=1S/C23H47NO24P2/c1-9(28)24-17-21(38)20(37)16(4-27)47-23(17)48-22(14(33)7-45-49(39,40)43-5-12(31)18(35)10(29)2-25)15(34)8-46-50(41,42)44-6-13(32)19(36)11(30)3-26/h10-23,25-27,29-38H,2-8H2,1H3,(H,24,28)(H,39,40)(H,41,42)/t10?,11?,12-,13+,14+,15-,16-,17-,18+,19?,20-,21-,22+,23+/m1/s1
Definition date:	2022-01-27
Last modified:	2022-08-26
Release date:	2022-08-31
Identifier:	[(2~{S},4~{R})-3-[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2,4-bis(oxidanyl)-5-[oxidanyl-[(2~{S},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentoxy]phosphoryl]oxy-pentyl] [(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate

7TE

7TE
Name:	(S)-({[(3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}methyl)phosphinic acid
Formula:	C10 H14 N5 O6 P
SMILES:	O=P(O)(O)COC1COC(n2cnc3c(N)ncnc32)C1O
InChi:	InChI=1S/C10H14N5O6P/c11-8-6-9(13-2-12-8)15(3-14-6)10-7(16)5(1-20-10)21-4-22(17,18)19/h2-3,5,7,10,16H,1,4H2,(H2,11,12,13)(H2,17,18,19)/t5-,7+,10+/m0/s1
Definition date:	2021-08-19
Last modified:	2022-08-24
Release date:	2022-08-24
Identifier:	({[(3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}methyl)phosphonic acid

T56

T56
Name:	(E)-3-dibenzofuran-4-yl-N-oxidanyl-prop-2-enamide
Formula:	C15 H11 N O3
SMILES:	ONC(=O)C=Cc1cccc2c1oc3ccccc23
InChi:	InChI=1S/C15H11NO3/c17-14(16-18)9-8-10-4-3-6-12-11-5-1-2-7-13(11)19-15(10)12/h1-9,18H,(H,16,17)/b9-8+
Definition date:	2021-10-26
Last modified:	2022-08-22
Release date:	2021-12-15
Identifier:	(~{E})-3-dibenzofuran-4-yl-~{N}-oxidanyl-prop-2-enamide

I3V

I3V
Name:	5-azanyl-6-methyl-1~{H}-pyrimidine-2,4-dione
Formula:	C5 H7 N3 O2
SMILES:	CC1=C(N)C(=O)NC(=O)N1
InChi:	InChI=1S/C5H7N3O2/c1-2-3(6)4(9)8-5(10)7-2/h6H2,1H3,(H2,7,8,9,10)
Definition date:	2022-02-10
Last modified:	2022-08-22
Release date:	2022-03-02
Identifier:	5-azanyl-6-methyl-1~{H}-pyrimidine-2,4-dione

I4H

I4H
Name:	~{N}-ethyl-4-methyl-3-nitro-benzamide
Formula:	C10 H12 N2 O3
SMILES:	CCNC(=O)c1ccc(C)c(c1)[N+]([O-])=O
InChi:	InChI=1S/C10H12N2O3/c1-3-11-10(13)8-5-4-7(2)9(6-8)12(14)15/h4-6H,3H2,1-2H3,(H,11,13)
Definition date:	2022-02-10
Last modified:	2022-08-22
Release date:	2022-04-27
Identifier:	~{N}-ethyl-4-methyl-3-nitro-benzamide

I4L

I4L
Name:	(2~{S})-2-[2-[4-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid
Formula:	C24 H22 N2 O12 S
SMILES:	OC(=O)C[C](O)(CC(=O)N1CCN(CC1)[S](=O)(=O)c2cc3C(=O)c4ccccc4C(=O)c3c(O)c2O)C(O)=O
InChi:	InChI=1S/C24H22N2O12S/c27-16(10-24(36,23(34)35)11-17(28)29)25-5-7-26(8-6-25)39(37,38)15-9-14-18(22(33)21(15)32)20(31)13-4-2-1-3-12(13)19(14)30/h1-4,9,32-33,36H,5-8,10-11H2,(H,28,29)(H,34,35)/t24-/m0/s1
Definition date:	2022-02-10
Last modified:	2022-08-22
Release date:	2022-04-06
Identifier:	(2~{S})-2-[2-[4-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid

I4S

I4S
Name:	3,6-dimethyl-2~{H}-1,2,4-triazin-5-one
Formula:	C5 H7 N3 O
SMILES:	CC1=NC(=O)C(=NN1)C
InChi:	InChI=1S/C5H7N3O/c1-3-5(9)6-4(2)8-7-3/h1-2H3,(H,6,8,9)
Definition date:	2022-02-11
Last modified:	2022-08-22
Release date:	2022-03-02
Identifier:	3,6-dimethyl-2~{H}-1,2,4-triazin-5-one

I5B

I5B
Name:	(5-methoxy-6-pyridin-4-yl-1~{H}-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone
Formula:	C19 H21 N5 O2
SMILES:	COc1cc2c([nH]nc2C(=O)N3CCN(C)CC3)cc1c4ccncc4
InChi:	InChI=1S/C19H21N5O2/c1-23-7-9-24(10-8-23)19(25)18-15-12-17(26-2)14(11-16(15)21-22-18)13-3-5-20-6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H,21,22)
Definition date:	2022-02-11
Last modified:	2022-08-22
Release date:	2022-03-23
Identifier:	(5-methoxy-6-pyridin-4-yl-1~{H}-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone

I5N

I5N
Name:	5-cyclopropyl-6-(2,6-dimethylpyridin-4-yl)-~{N}-[(3~{R},4~{R})-3-fluoranylpiperidin-4-yl]-1~{H}-indazol-3-amine
Formula:	C22 H26 F N5
SMILES:	Cc1cc(cc(C)n1)c2cc3[nH]nc(N[CH]4CCNC[CH]4F)c3cc2C5CC5
InChi:	InChI=1S/C22H26FN5/c1-12-7-15(8-13(2)25-12)17-10-21-18(9-16(17)14-3-4-14)22(28-27-21)26-20-5-6-24-11-19(20)23/h7-10,14,19-20,24H,3-6,11H2,1-2H3,(H2,26,27,28)/t19-,20-/m1/s1
Definition date:	2022-02-11
Last modified:	2022-08-22
Release date:	2022-03-23
Identifier:	5-cyclopropyl-6-(2,6-dimethylpyridin-4-yl)-~{N}-[(3~{R},4~{R})-3-fluoranylpiperidin-4-yl]-1~{H}-indazol-3-amine

I5Z

I5Z
Name:	6-cyclopropyl-1H-pyrimidine-2,4-dione
Formula:	C7 H8 N2 O2
SMILES:	O=C1NC(=O)C=C(N1)C2CC2
InChi:	InChI=1S/C7H8N2O2/c10-6-3-5(4-1-2-4)8-7(11)9-6/h3-4H,1-2H2,(H2,8,9,10,11)
Definition date:	2022-02-12
Last modified:	2022-08-22
Release date:	2022-03-16
Identifier:	6-cyclopropyl-1~{H}-pyrimidine-2,4-dione

I62

I62
Name:	~{N}-[(~{E})-3-(diethylamino)prop-2-enyl]-4-methyl-3-nitro-benzamide
Formula:	C15 H22 N3 O3
SMILES:	CCN(CC)C=CCNC(=O)c1ccc(C)c(c1)[N+](O)=O
InChi:	InChI=1S/C15H21N3O3/c1-4-17(5-2)10-6-9-16-15(19)13-8-7-12(3)14(11-13)18(20)21/h6-8,10-11H,4-5,9H2,1-3H3,(H-,16,19,20,21)/p+1/b10-6+
Definition date:	2022-02-12
Last modified:	2022-08-22
Release date:	2022-04-27
Identifier:	[5-[[(~{E})-3-(diethylamino)prop-2-enyl]carbamoyl]-2-methyl-phenyl]-oxidanyl-oxidanylidene-azanium

I6A

I6A
Name:	5-methoxy-6-pyridin-4-yl-1~{H}-indole
Formula:	C14 H12 N2 O
SMILES:	COc1cc2cc[nH]c2cc1c3ccncc3
InChi:	InChI=1S/C14H12N2O/c1-17-14-8-11-4-7-16-13(11)9-12(14)10-2-5-15-6-3-10/h2-9,16H,1H3
Definition date:	2022-02-12
Last modified:	2022-08-22
Release date:	2022-03-23
Identifier:	5-methoxy-6-pyridin-4-yl-1~{H}-indole

I6R

I6R
Name:	6-ethyl-1H-pyrimidine-2,4-dione
Formula:	C6 H8 N2 O2
SMILES:	CCC1=CC(=O)NC(=O)N1
InChi:	InChI=1S/C6H8N2O2/c1-2-4-3-5(9)8-6(10)7-4/h3H,2H2,1H3,(H2,7,8,9,10)
Definition date:	2022-02-15
Last modified:	2022-08-22
Release date:	2022-02-23
Identifier:	6-ethyl-1~{H}-pyrimidine-2,4-dione

I78

I78
Name:	(2~{R})-2-(carboxycarbonylamino)propanoic acid
Formula:	C5 H7 N O5
SMILES:	C[CH](NC(=O)C(O)=O)C(O)=O
InChi:	InChI=1S/C5H7NO5/c1-2(4(8)9)6-3(7)5(10)11/h2H,1H3,(H,6,7)(H,8,9)(H,10,11)/t2-/m1/s1
Synonyms:	N-oxalyl-D-alanine
Definition date:	2022-02-16
Last modified:	2022-08-22
Release date:	2022-04-27
Identifier:	(2~{R})-2-(carboxycarbonylamino)propanoic acid

I7L

I7L
Name:	2-naphthalen-2-ylethanoic acid
Formula:	C12 H10 O2
SMILES:	OC(=O)Cc1ccc2ccccc2c1
InChi:	InChI=1S/C12H10O2/c13-12(14)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2,(H,13,14)
Definition date:	2022-02-17
Last modified:	2022-08-22
Release date:	2022-06-29
Identifier:	2-naphthalen-2-ylethanoic acid

I7O

I7O
Name:	2-indol-1-ylethanoic acid
Formula:	C10 H9 N O2
SMILES:	OC(=O)Cn1ccc2ccccc12
InChi:	InChI=1S/C10H9NO2/c12-10(13)7-11-6-5-8-3-1-2-4-9(8)11/h1-6H,7H2,(H,12,13)
Definition date:	2022-02-17
Last modified:	2022-08-22
Release date:	2022-06-29
Identifier:	2-indol-1-ylethanoic acid

I7S

I7S
Name:	6-methylpyridine-2,3-dicarboxylic acid
Formula:	C8 H7 N O4
SMILES:	Cc1ccc(C(O)=O)c(n1)C(O)=O
InChi:	InChI=1S/C8H7NO4/c1-4-2-3-5(7(10)11)6(9-4)8(12)13/h2-3H,1H3,(H,10,11)(H,12,13)
Definition date:	2022-02-17
Last modified:	2022-08-22
Release date:	2022-06-29
Identifier:	6-methylpyridine-2,3-dicarboxylic acid

I7W

I7W
Name:	6-fluoranylnaphthalene-2-carboxylic acid
Formula:	C11 H7 F O2
SMILES:	OC(=O)c1ccc2cc(F)ccc2c1
InChi:	InChI=1S/C11H7FO2/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-6H,(H,13,14)
Definition date:	2022-02-17
Last modified:	2022-08-22
Release date:	2022-06-29
Identifier:	6-fluoranylnaphthalene-2-carboxylic acid

I7Z

I7Z
Name:	2-azanyl-4-chloranyl-benzenecarbonitrile
Formula:	C7 H5 Cl N2
SMILES:	Nc1cc(Cl)ccc1C#N
InChi:	InChI=1S/C7H5ClN2/c8-6-2-1-5(4-9)7(10)3-6/h1-3H,10H2
Definition date:	2022-02-17
Last modified:	2022-08-22
Release date:	2022-06-29
Identifier:	2-azanyl-4-chloranyl-benzenecarbonitrile

I82

I82
Name:	~{N}-methyl-3-phenyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine
Formula:	C12 H11 N5
SMILES:	CNc1ncnc2c([nH]nc12)c3ccccc3
InChi:	InChI=1S/C12H11N5/c1-13-12-11-10(14-7-15-12)9(16-17-11)8-5-3-2-4-6-8/h2-7H,1H3,(H,16,17)(H,13,14,15)
Definition date:	2022-02-17
Last modified:	2022-08-22
Release date:	2022-03-02
Identifier:	~{N}-methyl-3-phenyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine

I88

I88
Name:	methyl (2~{S})-2-[[(2~{S})-2-[[(2~{S},3~{R})-3-azanyl-2,7-bis(oxidanyl)heptanoyl]amino]-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoate
Formula:	C23 H37 N3 O7
SMILES:	COC(=O)[CH](Cc1ccc(O)cc1)NC(=O)[CH](CC(C)C)NC(=O)[CH](O)[CH](N)CCCCO
InChi:	InChI=1S/C23H37N3O7/c1-14(2)12-18(25-22(31)20(29)17(24)6-4-5-11-27)21(30)26-19(23(32)33-3)13-15-7-9-16(28)10-8-15/h7-10,14,17-20,27-29H,4-6,11-13,24H2,1-3H3,(H,25,31)(H,26,30)/t17-,18+,19+,20+/m1/s1
Definition date:	2022-02-17
Last modified:	2022-08-22
Release date:	2022-07-27
Identifier:	methyl (2~{S})-2-[[(2~{S})-2-[[(2~{S},3~{R})-3-azanyl-2,7-bis(oxidanyl)heptanoyl]amino]-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoate

I8N

I8N
Name:	6-methyl-2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzothiazole
Formula:	C19 H21 N O3 S
SMILES:	COc1cc(CCc2sc3cc(C)ccc3n2)cc(OC)c1OC
InChi:	InChI=1S/C19H21NO3S/c1-12-5-7-14-17(9-12)24-18(20-14)8-6-13-10-15(21-2)19(23-4)16(11-13)22-3/h5,7,9-11H,6,8H2,1-4H3
Definition date:	2022-02-24
Last modified:	2022-08-22
Release date:	2022-03-30
Identifier:	6-methyl-2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzothiazole

I8R

I8R
Name:	2-methoxy-5-[2-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)ethyl]phenol
Formula:	C19 H21 N O5 S
SMILES:	COc1ccc(CCc2sc3c(OC)c(OC)c(OC)cc3n2)cc1O
InChi:	InChI=1S/C19H21NO5S/c1-22-14-7-5-11(9-13(14)21)6-8-16-20-12-10-15(23-2)17(24-3)18(25-4)19(12)26-16/h5,7,9-10,21H,6,8H2,1-4H3
Definition date:	2022-02-24
Last modified:	2022-08-22
Release date:	2022-03-30
Identifier:	2-methoxy-5-[2-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)ethyl]phenol

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