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WV8

WV8
Name:	(2R,4S)-4-[(2S)-2-phenylbutyl]-1,3-oxazolidin-2-amine
Formula:	C13 H18 N2 O
SMILES:	CCC(CC1N=C(N)OC1)c1ccccc1
InChi:	InChI=1S/C13H18N2O/c1-2-10(11-6-4-3-5-7-11)8-12-9-16-13(14)15-12/h3-7,10,12H,2,8-9H2,1H3,(H2,14,15)/t10-,12-/m0/s1
Definition date:	2023-10-16
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	(4S)-4-[(2S)-2-phenylbutyl]-4,5-dihydro-1,3-oxazol-2-amine

T2O

T2O
Name:	4-(4-chlorophenyl)-~{N}-cyclopropylsulfonyl-7-methyl-1~{H}-indole-6-carboxamide
Formula:	C19 H17 Cl N2 O3 S
SMILES:	Cc1c2[nH]ccc2c(cc1C(=O)N[S](=O)(=O)C3CC3)c4ccc(Cl)cc4
InChi:	InChI=1S/C19H17ClN2O3S/c1-11-16(19(23)22-26(24,25)14-6-7-14)10-17(15-8-9-21-18(11)15)12-2-4-13(20)5-3-12/h2-5,8-10,14,21H,6-7H2,1H3,(H,22,23)
Definition date:	2022-12-20
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	4-(4-chlorophenyl)-~{N}-cyclopropylsulfonyl-7-methyl-1~{H}-indole-6-carboxamide

YQI

YQI
Name:	(2~{S})-2-(1~{H}-pyrazol-3-ylcarbonylamino)butanoic acid
Formula:	C8 H11 N3 O3
SMILES:	CC[CH](NC(=O)c1cc[nH]n1)C(O)=O
InChi:	InChI=1S/C8H11N3O3/c1-2-5(8(13)14)10-7(12)6-3-4-9-11-6/h3-5H,2H2,1H3,(H,9,11)(H,10,12)(H,13,14)/t5-/m0/s1
Definition date:	2023-06-20
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	(2~{S})-2-(1~{H}-pyrazol-3-ylcarbonylamino)butanoic acid

T3I

T3I
Name:	4-(4-chlorophenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide
Formula:	C18 H18 Cl N3 O3 S
SMILES:	CN(C)[S](=O)(=O)NC(=O)c1cc(c2ccc(Cl)cc2)c3cc[nH]c3c1C
InChi:	InChI=1S/C18H18ClN3O3S/c1-11-15(18(23)21-26(24,25)22(2)3)10-16(14-8-9-20-17(11)14)12-4-6-13(19)7-5-12/h4-10,20H,1-3H3,(H,21,23)
Definition date:	2022-12-20
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	4-(4-chlorophenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide

WX0

WX0
Name:	1-methyl-5-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-3-(trifluoromethyl)-7H-pyrrolo[2,3-b]pyridin-6-one
Formula:	C23 H22 F3 N5 O
SMILES:	C[CH]1C[C](C1)(c2cccc(c2)C3=Cc4c(NC3=O)n(C)cc4C(F)(F)F)c5nncn5C
InChi:	InChI=1S/C23H22F3N5O/c1-13-9-22(10-13,21-29-27-12-31(21)3)15-6-4-5-14(7-15)16-8-17-18(23(24,25)26)11-30(2)19(17)28-20(16)32/h4-8,11-13H,9-10H2,1-3H3,(H,28,32)/t13-,22+
Definition date:	2023-10-17
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	1-methyl-5-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-3-(trifluoromethyl)-7~{H}-pyrrolo[2,3-b]pyridin-6-one

T3U

T3U
Name:	4-(4-chloranyl-3-pyrazin-2-yloxy-phenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide
Formula:	C22 H20 Cl N5 O4 S
SMILES:	CN(C)[S](=O)(=O)NC(=O)c1cc(c2ccc(Cl)c(Oc3cnccn3)c2)c4cc[nH]c4c1C
InChi:	InChI=1S/C22H20ClN5O4S/c1-13-16(22(29)27-33(30,31)28(2)3)11-17(15-6-7-26-21(13)15)14-4-5-18(23)19(10-14)32-20-12-24-8-9-25-20/h4-12,26H,1-3H3,(H,27,29)
Definition date:	2022-12-20
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	4-(4-chloranyl-3-pyrazin-2-yloxy-phenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide

T4C

T4C
Name:	4-(4-chlorophenyl)-1~{H}-indole-6-carboxylic acid
Formula:	C15 H10 Cl N O2
SMILES:	OC(=O)c1cc2[nH]ccc2c(c1)c3ccc(Cl)cc3
InChi:	InChI=1S/C15H10ClNO2/c16-11-3-1-9(2-4-11)13-7-10(15(18)19)8-14-12(13)5-6-17-14/h1-8,17H,(H,18,19)
Definition date:	2022-12-20
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	4-(4-chlorophenyl)-1~{H}-indole-6-carboxylic acid

T4O

T4O
Name:	4-(4-chloranyl-3-pyridin-2-yloxy-phenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide
Formula:	C23 H21 Cl N4 O4 S
SMILES:	CN(C)[S](=O)(=O)NC(=O)c1cc(c2ccc(Cl)c(Oc3ccccn3)c2)c4cc[nH]c4c1C
InChi:	InChI=1S/C23H21ClN4O4S/c1-14-17(23(29)27-33(30,31)28(2)3)13-18(16-9-11-26-22(14)16)15-7-8-19(24)20(12-15)32-21-6-4-5-10-25-21/h4-13,26H,1-3H3,(H,27,29)
Definition date:	2022-12-20
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	4-(4-chloranyl-3-pyridin-2-yloxy-phenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide

V5K

V5K
Name:	propan-2-yl 1~{H}-pyrazole-3-carboxylate
Formula:	C7 H10 N2 O2
SMILES:	CC(C)OC(=O)c1cc[nH]n1
InChi:	InChI=1S/C7H10N2O2/c1-5(2)11-7(10)6-3-4-8-9-6/h3-5H,1-2H3,(H,8,9)
Definition date:	2023-02-22
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	propan-2-yl 1~{H}-pyrazole-3-carboxylate

T4X

T4X
Name:	3-oxidanyl-5-[4-(trifluoromethyloxy)phenyl]benzoic acid
Formula:	C14 H9 F3 O4
SMILES:	OC(=O)c1cc(O)cc(c1)c2ccc(OC(F)(F)F)cc2
InChi:	InChI=1S/C14H9F3O4/c15-14(16,17)21-12-3-1-8(2-4-12)9-5-10(13(19)20)7-11(18)6-9/h1-7,18H,(H,19,20)
Definition date:	2022-12-20
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	3-oxidanyl-5-[4-(trifluoromethyloxy)phenyl]benzoic acid

V5R

V5R
Name:	5-acetamido-2-chloranyl-benzoic acid
Formula:	C9 H8 Cl N O3
SMILES:	CC(=O)Nc1ccc(Cl)c(c1)C(O)=O
InChi:	InChI=1S/C9H8ClNO3/c1-5(12)11-6-2-3-8(10)7(4-6)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)
Definition date:	2023-02-22
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	5-acetamido-2-chloranyl-benzoic acid

V60

V60
Name:	~{N}-(2-methylpropyl)-1~{H}-pyrazole-3-carboxamide
Formula:	C8 H13 N3 O
SMILES:	CC(C)CNC(=O)c1cc[nH]n1
InChi:	InChI=1S/C8H13N3O/c1-6(2)5-9-8(12)7-3-4-10-11-7/h3-4,6H,5H2,1-2H3,(H,9,12)(H,10,11)
Definition date:	2023-02-22
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	~{N}-(2-methylpropyl)-1~{H}-pyrazole-3-carboxamide

T5L

T5L
Name:	(1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid
Formula:	C8 H12 O4
SMILES:	OC(=O)[CH]1CCCC[CH]1C(O)=O
InChi:	InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6-/m1/s1
Definition date:	2022-12-20
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	(1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid

V6L

V6L
Name:	~{N}-cyclopentyl-3-methyl-1~{H}-pyrazole-5-carboxamide
Formula:	C10 H15 N3 O
SMILES:	Cc1cc([nH]n1)C(=O)NC2CCCC2
InChi:	InChI=1S/C10H15N3O/c1-7-6-9(13-12-7)10(14)11-8-4-2-3-5-8/h6,8H,2-5H2,1H3,(H,11,14)(H,12,13)
Definition date:	2023-02-23
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	~{N}-cyclopentyl-3-methyl-1~{H}-pyrazole-5-carboxamide

T8K

T8K
Name:	[1-[(3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-3-methyl-imidazol-1-ium-2-yl]-nitrooxy-tris(oxidanyl)ruthenium
Formula:	C10 H19 N3 O11 Ru
SMILES:	Cn1cc[n+]([CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)c1[Ru](O)(O)(O)O[N+]([O-])=O
InChi:	InChI=1S/C10H16N2O5.NO3.3H2O.Ru/c1-11-2-3-12(5-11)10-9(16)8(15)7(14)6(4-13)17-10
Synonyms:	(4'~{R},6'~{S},7'~{S})-17'-fluoranyl-4',6'-dimethyl-13'-[(4~{S})-4-methyl-2-oxidanylidene-1,3-oxazolidin-3-yl]spiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione
Definition date:	2023-01-04
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	[1-[(3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-3-methyl-imidazol-1-ium-2-yl]-nitrooxy-tris(oxidanyl)ruthenium

R6U

R6U
Name:	(1,3-dimethylimidazol-1-ium-2-yl)-tris(oxidanyl)ruthenium
Formula:	C5 H11 N2 O3 Ru
SMILES:	Cn1cc[n+](C)c1[Ru](O)(O)O
InChi:	InChI=1S/C5H8N2.3H2O.Ru/c1-6-3-4-7(2)5-6
Definition date:	2023-01-04
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	(1,3-dimethylimidazol-1-ium-2-yl)-tris(oxidanyl)ruthenium

T9L

T9L
Name:	(1,3-dimethylimidazol-1-ium-2-yl)-tetrakis(oxidanyl)ruthenium
Formula:	C5 H12 N2 O4 Ru
SMILES:	Cn1cc[n+](C)c1[Ru](O)(O)(O)O
InChi:	InChI=1S/C5H8N2.4H2O.Ru/c1-6-3-4-7(2)5-6
Definition date:	2023-01-04
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	(1,3-dimethylimidazol-1-ium-2-yl)-tetrakis(oxidanyl)ruthenium

R7O

R7O
Name:	Gossypin
Formula:	C21 H20 O13
SMILES:	OC[CH]1O[CH](Oc2c(O)cc(O)c3C(=O)C(=C(Oc23)c4ccc(O)c(O)c4)O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C21H20O13/c22-5-11-13(27)15(29)17(31)21(32-11)34-19-10(26)4-9(25)12-14(28)16(30)18(33-20(12)19)6-1-2-7(23)8(24)3-6/h1-4,11,13,15,17,21-27,29-31H,5H2/t11-,13-,15+,17-,21+/m1/s1
Synonyms:	2-[3,4-bis(oxidanyl)phenyl]-8-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5,7-tris(oxidanyl)chromen-4-one
Definition date:	2022-11-17
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	2-[3,4-bis(oxidanyl)phenyl]-8-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5,7-tris(oxidanyl)chromen-4-one

TO9

TO9
Name:	(2~{R})-3-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-propanoic acid
Formula:	C9 H10 O5
SMILES:	O[CH](Cc1ccc(O)c(O)c1)C(O)=O
InChi:	InChI=1S/C9H10O5/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8,10-12H,4H2,(H,13,14)/t8-/m1/s1
Synonyms:	Danshensu
Definition date:	2023-04-28
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	(2~{R})-3-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-propanoic acid

T9U

T9U
Name:	(1,3-dimethyl-2~{H}-imidazol-2-yl)-oxidanyl-oxidanylidene-ruthenium
Formula:	C5 H10 N2 O2 Ru
SMILES:	CN1C=CN(C)C1[Ru](O)=O
InChi:	InChI=1S/C5H9N2.H2O.O.Ru/c1-6-3-4-7(2)5-6
Definition date:	2023-01-04
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	(1,3-dimethyl-2~{H}-imidazol-2-yl)-oxidanyl-oxidanylidene-ruthenium

LYY

LYY
Name:	1,5-anhydro-D-arabinitol
Formula:	C5 H10 O4
SMILES:	OC1COCC(O)C1O
InChi:	InChI=1S/C5H10O4/c6-3-1-9-2-4(7)5(3)8/h3-8H,1-2H2/t3-,4-/m1/s1
Definition date:	2007-10-18
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	1,5-anhydro-D-arabinitol

SJ0

SJ0
Name:	N-[(5P,8R)-5-(2-cyano-5-{[(3R)-1-methylpyrrolidin-3-yl]methoxy}pyridin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
Formula:	C23 H24 N6 O2
SMILES:	CN1CCC(C1)COc1cnc(C#N)cc1c1ccn2nc(cc2c1)NC(=O)C1CC1
InChi:	InChI=1S/C23H24N6O2/c1-28-6-4-15(13-28)14-31-21-12-25-18(11-24)9-20(21)17-5-7-29-19(8-17)10-22(27-29)26-23(30)16-2-3-16/h5,7-10,12,15-16H,2-4,6,13-14H2,1H3,(H,26,27,30)/t15-/m1/s1
Definition date:	2023-08-25
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	N-[(5P,8R)-5-(2-cyano-5-{[(3R)-1-methylpyrrolidin-3-yl]methoxy}pyridin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

TE9

TE9
Name:	delafloxacin
Formula:	C18 H12 Cl F3 N4 O4
SMILES:	Nc1nc(N2C=C(C(O)=O)C(=O)c3cc(F)c(N4CC(O)C4)c(Cl)c23)c(F)cc1F
InChi:	InChI=1S/C18H12ClF3N4O4/c19-12-13-7(1-9(20)14(12)25-3-6(27)4-25)15(28)8(18(29)30)5-26(13)17-11(22)2-10(21)16(23)24-17/h1-2,5-6,27H,3-4H2,(H2,23,24)(H,29,30)
Synonyms:	1-[6-azanyl-3,5-bis(fluoranyl)pyridin-2-yl]-8-chloranyl-6-fluoranyl-7-(3-oxidanylazetidin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid
Definition date:	2023-01-05
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	1-[6-azanyl-3,5-bis(fluoranyl)pyridin-2-yl]-8-chloranyl-6-fluoranyl-7-(3-oxidanylazetidin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

TIX

TIX
Name:	ailanthone
Formula:	C20 H26 O7
SMILES:	C[CH]1CC(=O)[CH](O)[C]2(C)[CH]1C[CH]3OC(=O)C[CH]4C(=C)[CH](O)[C]5(O)OC[C]34[CH]25
InChi:	InChI=1S/C20H26O7/c1-8-4-12(21)16(24)18(3)10(8)5-13-19-7-26-20(25,17(18)19)15(23)9(2)11(19)6-14(22)27-13/h8,10-11,13,15-17,23-25H,2,4-7H2,1,3H3/t8-,10+,11+,13-,15-,16-,17-,18-,19-,20+/m1/s1
Definition date:	2023-01-05
Last modified:	2024-01-05
Release date:	2024-01-10

JQJ

JQJ
Name:	Polyoxidovanadate complex
Formula:	O54 V20
SMILES:	O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[V]O[V]1O[V](O[V]2O[V]O2)O[V]3O[V]4O[V]5O[V]6O[V](O[V])O[V]7(O[V]8O[V]O[V](O6)O[V]9O[V](O9)O[V](O8)O[V](O1)(O3)O[V](O4)O7)O5
InChi:	InChI=1S/26H2O.28O.20V/h26*1H2
Definition date:	2023-08-08
Last modified:	2024-01-05
Release date:	2024-01-10

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