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OML

OML
Name:	(1R,2S,3R,4R)-5-fluoro-6-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol
Formula:	C7 H11 F O5
SMILES:	OC1C(CO)=C(F)C(O)C(O)C1O
InChi:	InChI=1S/C7H11FO5/c8-3-2(1-9)4(10)6(12)7(13)5(3)11/h4-7,9-13H,1H2/t4-,5+,6+,7+/m1/s1
Synonyms:	C5a-fluoro-valienide
Definition date:	2022-05-12
Last modified:	2023-03-31
Release date:	2023-04-05
Identifier:	(1R,2S,3R,4R)-5-fluoro-6-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol

OW6

OW6
Name:	6-[(E)-2-(4-chlorophenyl)ethenyl]-2-{[(2R)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}quinoline-4-carboxylic acid
Formula:	C29 H23 Cl N2 O6
SMILES:	O=C(OC)C(Cc1ccc(O)cc1)NC(=O)c1cc(c2cc(ccc2n1)/C=C/c1ccc(Cl)cc1)C(=O)O
InChi:	InChI=1S/C29H23ClN2O6/c1-38-29(37)26(15-19-6-11-21(33)12-7-19)32-27(34)25-16-23(28(35)36)22-14-18(8-13-24(22)31-25)3-2-17-4-9-20(30)10-5-17/h2-14,16,26,33H,15H2,1H3,(H,32,34)(H,35,36)/b3-2+/t26-/m1/s1
Definition date:	2022-05-18
Last modified:	2023-03-31
Release date:	2023-04-05
Identifier:	6-[(E)-2-(4-chlorophenyl)ethenyl]-2-{[(2R)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}quinoline-4-carboxylic acid

OZ0

OZ0
Name:	3-({[(1S)-1-boronopropyl]sulfamoyl}methyl)benzoic acid
Formula:	C11 H16 B N O6 S
SMILES:	O=S(=O)(Cc1cccc(c1)C(=O)O)NC(CC)B(O)O
InChi:	InChI=1S/C11H16BNO6S/c1-2-10(12(16)17)13-20(18,19)7-8-4-3-5-9(6-8)11(14)15/h3-6,10,13,16-17H,2,7H2,1H3,(H,14,15)/t10-/m1/s1
Definition date:	2022-05-19
Last modified:	2023-03-31
Release date:	2023-04-05
Identifier:	3-({[(1S)-1-boronopropyl]sulfamoyl}methyl)benzoic acid

OZ9

OZ9
Name:	3-({[(1R)-1-boronopropyl]sulfamoyl}methyl)benzoic acid
Formula:	C11 H16 B N O6 S
SMILES:	O=S(=O)(Cc1cccc(c1)C(=O)O)NC(CC)B(O)O
InChi:	InChI=1S/C11H16BNO6S/c1-2-10(12(16)17)13-20(18,19)7-8-4-3-5-9(6-8)11(14)15/h3-6,10,13,16-17H,2,7H2,1H3,(H,14,15)/t10-/m0/s1
Definition date:	2022-05-19
Last modified:	2023-03-31
Release date:	2023-04-05
Identifier:	3-({[(1R)-1-boronopropyl]sulfamoyl}methyl)benzoic acid

OZF

OZF
Name:	3-[(4S)-4-ethyl-5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl]benzoic acid
Formula:	C11 H17 B N O9 P S
SMILES:	O=S(=O)(Cc1cccc(c1)C(=O)O)NC(CC)B(O)OP(=O)(O)O
InChi:	InChI=1S/C11H17BNO9PS/c1-2-10(12(16)22-23(17,18)19)13-24(20,21)7-8-4-3-5-9(6-8)11(14)15/h3-6,10,13,16H,2,7H2,1H3,(H,14,15)(H2,17,18,19)/t10-/m1/s1
Definition date:	2022-05-19
Last modified:	2023-03-31
Release date:	2023-04-05
Identifier:	3-[(4S)-4-ethyl-5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl]benzoic acid

OZO

OZO
Name:	3-[(4R)-4-ethyl-5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl]benzoic acid
Formula:	C11 H17 B N O9 P S
SMILES:	O=S(=O)(Cc1cccc(c1)C(=O)O)NC(CC)B(O)OP(=O)(O)O
InChi:	InChI=1S/C11H17BNO9PS/c1-2-10(12(16)22-23(17,18)19)13-24(20,21)7-8-4-3-5-9(6-8)11(14)15/h3-6,10,13,16H,2,7H2,1H3,(H,14,15)(H2,17,18,19)/t10-/m0/s1
Definition date:	2022-05-19
Last modified:	2023-03-31
Release date:	2023-04-05
Identifier:	3-[(4R)-4-ethyl-5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl]benzoic acid

QIP

QIP
Name:	2-[(2~{S})-2-(3-methylsulfanylpropanimidoyl)-2-oxidanyl-4-oxidanylidene-imidazolidin-1-yl]-2-oxidanylidene-ethanamide
Formula:	C9 H14 N4 O4 S
SMILES:	CSCCC(=N)[C]1(O)NC(=O)CN1C(=O)C(N)=O
InChi:	InChI=1S/C9H14N4O4S/c1-18-3-2-5(10)9(17)12-6(14)4-13(9)8(16)7(11)15/h10,17H,2-4H2,1H3,(H2,11,15)(H,12,14)/b10-5-/t9-/m0/s1
Synonyms:	CHROMOPHORE (MET-TYR-GLY)
Definition date:	2022-11-01
Last modified:	2023-03-31
Release date:	2023-04-05
Identifier:	2-[(2~{S})-2-(3-methylsulfanylpropanimidoyl)-2-oxidanyl-4-oxidanylidene-imidazolidin-1-yl]-2-oxidanylidene-ethanamide

8X9

8X9
Name:	2-[(1R,5S,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid
Formula:	C12 H19 N O2
SMILES:	CCC1=C[CH]2[CH](C1)C[C]2(CN)CC(O)=O
InChi:	InChI=1S/C12H19NO2/c1-2-8-3-9-5-12(7-13,6-11(14)15)10(9)4-8/h4,9-10H,2-3,5-7,13H2,1H3,(H,14,15)/t9-,10-,12-/m1/s1
Synonyms:	Mirogabalin
Definition date:	2021-12-28
Last modified:	2023-03-31
Release date:	2023-04-05
Identifier:	2-[(1~{R},5~{S},6~{S})-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]ethanoic acid

E45

E45
Name:	3-propan-2-yl-1,2,4-thiadiazol-5-amine
Formula:	C5 H9 N3 S
SMILES:	CC(C)c1nsc(N)n1
InChi:	InChI=1S/C5H9N3S/c1-3(2)4-7-5(6)9-8-4/h3H,1-2H3,(H2,6,7,8)
Definition date:	2022-01-03
Last modified:	2023-03-31
Release date:	2023-04-05
Identifier:	3-propan-2-yl-1,2,4-thiadiazol-5-amine

EIL

EIL
Name:	[6-methyl-4-[[(5-methyl-2-oxidanylidene-furan-3-ylidene)amino]methyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate
Formula:	C13 H15 N2 O7 P
SMILES:	CC1=CC(=NCc2c(O)c(C)ncc2CO[P](O)(O)=O)C(=O)O1
InChi:	InChI=1S/C13H15N2O7P/c1-7-3-11(13(17)22-7)15-5-10-9(6-21-23(18,19)20)4-14-8(2)12(10)16/h3-4,16H,5-6H2,1-2H3,(H2,18,19,20)/b15-11+
Definition date:	2022-04-19
Last modified:	2023-03-31
Release date:	2023-04-05
Identifier:	[6-methyl-4-[[(5-methyl-2-oxidanylidene-furan-3-ylidene)amino]methyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate

HFI

HFI
Name:	1-methyl-9~{H}-pyrido[3,4-b]indol-7-ol
Formula:	C12 H10 N2 O
SMILES:	Cc1nccc2c1[nH]c3cc(O)ccc23
InChi:	InChI=1S/C12H10N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-6,14-15H,1H3
Synonyms:	harmol
Definition date:	2022-05-25
Last modified:	2023-03-31
Release date:	2023-04-05
Identifier:	1-methyl-9~{H}-pyrido[3,4-b]indol-7-ol

IVG

IVG
Name:	D-Xylose, 4-O-beta-D-xylopyranosyl-
Formula:	C10 H18 O9
SMILES:	OC[CH](O[CH]1OC[CH](O)[CH](O)[CH]1O)[CH](O)[CH](O)C=O
InChi:	InChI=1S/C10H18O9/c11-1-4(13)7(15)6(2-12)19-10-9(17)8(16)5(14)3-18-10/h1,4-10,12-17H,2-3H2/t4-,5+,6+,7+,8-,9+,10-/m0/s1
Synonyms:	Xylobiose
Definition date:	2022-04-14
Last modified:	2023-03-31
Release date:	2023-04-05
Identifier:	(2~{R},3~{R},4~{R})-2,3,5-tris(oxidanyl)-4-[(2~{S},3~{R},4~{S},5~{R})-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-pentanal

9JT

9JT
Name:	N-phenyl-2-selanylbenzamide
Formula:	C13 H11 N O Se
SMILES:	O=C(Nc1ccccc1)c1ccccc1[SeH]
InChi:	InChI=1S/C13H11NOSe/c15-13(11-8-4-5-9-12(11)16)14-10-6-2-1-3-7-10/h1-9,16H,(H,14,15)
Synonyms:	~{N}-phenyl-2-selanyl-benzamide
Definition date:	2017-05-26
Last modified:	2023-03-30
Release date:	2018-06-13
Identifier:	N-phenyl-2-selanylbenzamide

ZNX

ZNX
Name:	N-(4-methoxyphenyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide
Formula:	C18 H21 N3 O4
SMILES:	Cc1ccc(o1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(OC)cc1
InChi:	InChI=1S/C18H21N3O4/c1-13-3-8-16(25-13)17(22)20-9-11-21(12-10-20)18(23)19-14-4-6-15(24-2)7-5-14/h3-8H,9-12H2,1-2H3,(H,19,23)
Definition date:	2023-03-17
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	N-(4-methoxyphenyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide

ZO5

ZO5
Name:	N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
Formula:	C18 H19 N3 O5
SMILES:	O=C(N1CCN(CC1)C(=O)NCc1ccc2OCOc2c1)c1ccco1
InChi:	InChI=1S/C18H19N3O5/c22-17(15-2-1-9-24-15)20-5-7-21(8-6-20)18(23)19-11-13-3-4-14-16(10-13)26-12-25-14/h1-4,9-10H,5-8,11-12H2,(H,19,23)
Definition date:	2023-03-17
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide

ZOH

ZOH
Name:	(2R)-4-(furan-3-carbonyl)-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide
Formula:	C18 H21 N3 O4
SMILES:	O=C(N1CCN(C(=O)Nc2ccc(OC)cc2)C(C)C1)c1ccoc1
InChi:	InChI=1S/C18H21N3O4/c1-13-11-20(17(22)14-7-10-25-12-14)8-9-21(13)18(23)19-15-3-5-16(24-2)6-4-15/h3-7,10,12-13H,8-9,11H2,1-2H3,(H,19,23)/t13-/m1/s1
Definition date:	2023-03-17
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	(2R)-4-(furan-3-carbonyl)-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide

WRQ

WRQ
Name:	N-{[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N-methylmethanesulfonamide
Formula:	C9 H15 N5 O7 S2
SMILES:	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)N(C)S(C)(=O)=O
InChi:	InChI=1S/C9H15N5O7S2/c1-14(22(4,16)17)23(18,19)13-9(15)12-8-10-6(20-2)5-7(11-8)21-3/h5H,1-4H3,(H2,10,11,12,13,15)
Definition date:	2022-10-17
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	N-{[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N-methylmethanesulfonamide

ZOK

ZOK
Name:	(2S)-4-(furan-2-carbonyl)-2-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
Formula:	C13 H16 F3 N3 O3
SMILES:	O=C(N1CCN(C(=O)NCC(F)(F)F)C(C)C1)c1ccco1
InChi:	InChI=1S/C13H16F3N3O3/c1-9-7-18(11(20)10-3-2-6-22-10)4-5-19(9)12(21)17-8-13(14,15)16/h2-3,6,9H,4-5,7-8H2,1H3,(H,17,21)/t9-/m0/s1
Definition date:	2023-03-17
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	(2S)-4-(furan-2-carbonyl)-2-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

ZOU

ZOU
Name:	4-(furan-2-carbonyl)-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
Formula:	C18 H21 N3 O4
SMILES:	O=C(N1CCN(CC1)C(=O)Nc1cc(C)ccc1OC)c1ccco1
InChi:	InChI=1S/C18H21N3O4/c1-13-5-6-15(24-2)14(12-13)19-18(23)21-9-7-20(8-10-21)17(22)16-4-3-11-25-16/h3-6,11-12H,7-10H2,1-2H3,(H,19,23)
Definition date:	2023-03-17
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	4-(furan-2-carbonyl)-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide

ZP0

ZP0
Name:	N-{[(2S)-5,5-dimethyl-1,4-dioxan-2-yl]methyl}-4-(3-hydroxybenzoyl)piperazine-1-carboxamide
Formula:	C19 H27 N3 O5
SMILES:	Oc1cccc(c1)C(=O)N1CCN(CC1)C(=O)NCC1OCC(C)(C)OC1
InChi:	InChI=1S/C19H27N3O5/c1-19(2)13-26-16(12-27-19)11-20-18(25)22-8-6-21(7-9-22)17(24)14-4-3-5-15(23)10-14/h3-5,10,16,23H,6-9,11-13H2,1-2H3,(H,20,25)/t16-/m0/s1
Definition date:	2023-03-17
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	N-{[(2S)-5,5-dimethyl-1,4-dioxan-2-yl]methyl}-4-(3-hydroxybenzoyl)piperazine-1-carboxamide

ZP5

ZP5
Name:	4-(furan-2-carbonyl)-N-(1,2-oxazol-3-yl)piperazine-1-carboxamide
Formula:	C13 H14 N4 O4
SMILES:	O=C(Nc1ccon1)N1CCN(CC1)C(=O)c1ccco1
InChi:	InChI=1S/C13H14N4O4/c18-12(10-2-1-8-20-10)16-4-6-17(7-5-16)13(19)14-11-3-9-21-15-11/h1-3,8-9H,4-7H2,(H,14,15,19)
Definition date:	2023-03-17
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	4-(furan-2-carbonyl)-N-(1,2-oxazol-3-yl)piperazine-1-carboxamide

WSF

WSF
Name:	(2R)-3-{[(S)-hydroxy(3-methylbutoxy)phosphoryl]oxy}-2-(octanoyloxy)propyl decanoate
Formula:	C26 H51 O8 P
SMILES:	O=C(OC(COP(O)(=O)OCCC(C)C)COC(=O)CCCCCCCCC)CCCCCCC
InChi:	InChI=1S/C26H51O8P/c1-5-7-9-11-12-14-15-17-25(27)31-21-24(34-26(28)18-16-13-10-8-6-2)22-33-35(29,30)32-20-19-23(3)4/h23-24H,5-22H2,1-4H3,(H,29,30)/t24-/m1/s1
Definition date:	2022-10-17
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	(2R)-3-{[(S)-hydroxy(3-methylbutoxy)phosphoryl]oxy}-2-(octanoyloxy)propyl decanoate

ZPB

ZPB
Name:	N-(propan-2-yl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
Formula:	C13 H19 N3 O2 S
SMILES:	O=C(N1CCN(CC1)C(=O)NC(C)C)c1cccs1
InChi:	InChI=1S/C13H19N3O2S/c1-10(2)14-13(18)16-7-5-15(6-8-16)12(17)11-4-3-9-19-11/h3-4,9-10H,5-8H2,1-2H3,(H,14,18)
Definition date:	2023-03-17
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	N-(propan-2-yl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide

ZPL

ZPL
Name:	N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
Formula:	C17 H22 N4 O2 S2
SMILES:	O=C(c1cccs1)N1CCN(CC1)C(=O)NCCc1nc(C)c(C)s1
InChi:	InChI=1S/C17H22N4O2S2/c1-12-13(2)25-15(19-12)5-6-18-17(23)21-9-7-20(8-10-21)16(22)14-4-3-11-24-14/h3-4,11H,5-10H2,1-2H3,(H,18,23)
Definition date:	2023-03-17
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide

ZQ0

ZQ0
Name:	N-butyl-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide
Formula:	C15 H23 N3 O3
SMILES:	Cc1ccc(o1)C(=O)N1CCN(CC1)C(=O)NCCCC
InChi:	InChI=1S/C15H23N3O3/c1-3-4-7-16-15(20)18-10-8-17(9-11-18)14(19)13-6-5-12(2)21-13/h5-6H,3-4,7-11H2,1-2H3,(H,16,20)
Definition date:	2023-03-17
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	N-butyl-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide

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