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LJK

LJK
Name:	3-methyl-N-(2-methylbutan-2-yl)-1H-pyrazole-5-carboxamide
Formula:	C10 H17 N3 O
SMILES:	O=C(NC(C)(C)CC)c1cc(C)n[NH]1
InChi:	InChI=1S/C10H17N3O/c1-5-10(3,4)11-9(14)8-6-7(2)12-13-8/h6H,5H2,1-4H3,(H,11,14)(H,12,13)
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	3-methyl-N-(2-methylbutan-2-yl)-1H-pyrazole-5-carboxamide

LK6

LK6
Name:	N-[(3R)-3-methyl-1,1-dioxo-1lambda~6~-thiolan-3-yl]cyclopropanecarboxamide
Formula:	C9 H15 N O3 S
SMILES:	O=S1(=O)CCC(C)(NC(=O)C2CC2)C1
InChi:	InChI=1S/C9H15NO3S/c1-9(4-5-14(12,13)6-9)10-8(11)7-2-3-7/h7H,2-6H2,1H3,(H,10,11)/t9-/m1/s1
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	N-[(3R)-3-methyl-1,1-dioxo-1lambda~6~-thiolan-3-yl]cyclopropanecarboxamide

LKL

LKL
Name:	2-[(5-chloro-3-fluoropyridin-2-yl)(methyl)amino]ethan-1-ol
Formula:	C8 H10 Cl F N2 O
SMILES:	Fc1cc(Cl)cnc1N(C)CCO
InChi:	InChI=1S/C8H10ClFN2O/c1-12(2-3-13)8-7(10)4-6(9)5-11-8/h4-5,13H,2-3H2,1H3
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	2-[(5-chloro-3-fluoropyridin-2-yl)(methyl)amino]ethan-1-ol

LL0

LL0
Name:	2-(difluoromethoxy)benzene-1-sulfonamide
Formula:	C7 H7 F2 N O3 S
SMILES:	O=S(N)(=O)c1ccccc1OC(F)F
InChi:	InChI=1S/C7H7F2NO3S/c8-7(9)13-5-3-1-2-4-6(5)14(10,11)12/h1-4,7H,(H2,10,11,12)
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	2-(difluoromethoxy)benzene-1-sulfonamide

LLU

LLU
Name:	(2S)-2-(2-fluorophenoxy)propanoic acid
Formula:	C9 H9 F O3
SMILES:	CC(Oc1ccccc1F)C(=O)O
InChi:	InChI=1S/C9H9FO3/c1-6(9(11)12)13-8-5-3-2-4-7(8)10/h2-6H,1H3,(H,11,12)/t6-/m0/s1
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	(2S)-2-(2-fluorophenoxy)propanoic acid

LNS

LNS
Name:	6-(methylcarbamoyl)pyridine-2-carboxylic acid
Formula:	C8 H8 N2 O3
SMILES:	OC(=O)c1cccc(n1)C(=O)NC
InChi:	InChI=1S/C8H8N2O3/c1-9-7(11)5-3-2-4-6(10-5)8(12)13/h2-4H,1H3,(H,9,11)(H,12,13)
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	6-(methylcarbamoyl)pyridine-2-carboxylic acid

LO6

LO6
Name:	2-(difluoromethoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethan-1-one
Formula:	C9 H15 F2 N O3
SMILES:	O=C(COC(F)F)N1CC(C)OC(C)C1
InChi:	InChI=1S/C9H15F2NO3/c1-6-3-12(4-7(2)15-6)8(13)5-14-9(10)11/h6-7,9H,3-5H2,1-2H3/t6-,7+
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	2-(difluoromethoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethan-1-one

LPU

LPU
Name:	1-(methanesulfonyl)piperidin-4-ol
Formula:	C6 H13 N O3 S
SMILES:	OC1CCN(CC1)S(=O)(C)=O
InChi:	InChI=1S/C6H13NO3S/c1-11(9,10)7-4-2-6(8)3-5-7/h6,8H,2-5H2,1H3
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	1-(methanesulfonyl)piperidin-4-ol

LQ3

LQ3
Name:	(5S)-5-(difluoromethoxy)pyridin-2(5H)-one
Formula:	C6 H5 F2 N O2
SMILES:	O=C1C=CC(OC(F)F)C=N1
InChi:	InChI=1S/C6H5F2NO2/c7-6(8)11-4-1-2-5(10)9-3-4/h1-4,6H/t4-/m0/s1
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	(5S)-5-(difluoromethoxy)pyridin-2(5H)-one

LQI

LQI
Name:	(1-benzofuran-2-yl)(4-methylpiperidin-1-yl)methanone
Formula:	C15 H17 N O2
SMILES:	CC1CCN(CC1)C(=O)c1cc2ccccc2o1
InChi:	InChI=1S/C15H17NO2/c1-11-6-8-16(9-7-11)15(17)14-10-12-4-2-3-5-13(12)18-14/h2-5,10-11H,6-9H2,1H3
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	(1-benzofuran-2-yl)(4-methylpiperidin-1-yl)methanone

LQP

LQP
Name:	2-(difluoromethoxy)-1-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-yl]ethan-1-one
Formula:	C10 H15 F2 N O2
SMILES:	FC(F)OCC(=O)N1CC2CCCC2C1
InChi:	InChI=1S/C10H15F2NO2/c11-10(12)15-6-9(14)13-4-7-2-1-3-8(7)5-13/h7-8,10H,1-6H2/t7-,8+
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	2-(difluoromethoxy)-1-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-yl]ethan-1-one

LQV

LQV
Name:	(2S)-N-(5-methylpyridin-2-yl)oxolane-2-carboxamide
Formula:	C11 H14 N2 O2
SMILES:	O=C(Nc1ccc(C)cn1)C1CCCO1
InChi:	InChI=1S/C11H14N2O2/c1-8-4-5-10(12-7-8)13-11(14)9-3-2-6-15-9/h4-5,7,9H,2-3,6H2,1H3,(H,12,13,14)/t9-/m0/s1
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	(2S)-N-(5-methylpyridin-2-yl)oxolane-2-carboxamide

LR9

LR9
Name:	3-amino-N-ethyl-N-methylbenzamide
Formula:	C10 H14 N2 O
SMILES:	O=C(c1cc(N)ccc1)N(C)CC
InChi:	InChI=1S/C10H14N2O/c1-3-12(2)10(13)8-5-4-6-9(11)7-8/h4-7H,3,11H2,1-2H3
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	3-amino-N-ethyl-N-methylbenzamide

LRF

LRF
Name:	N~2~-(4-cyano-3-methyl-1,2-thiazol-5-yl)-N~2~-methylglycinamide
Formula:	C8 H10 N4 O S
SMILES:	N#Cc1c(snc1C)N(C)CC(N)=O
InChi:	InChI=1S/C8H10N4OS/c1-5-6(3-9)8(14-11-5)12(2)4-7(10)13/h4H2,1-2H3,(H2,10,13)
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	N~2~-(4-cyano-3-methyl-1,2-thiazol-5-yl)-N~2~-methylglycinamide

LRR

LRR
Name:	1-(morpholin-4-yl)-4-phenylbutan-1-one
Formula:	C14 H19 N O2
SMILES:	O=C(CCCc1ccccc1)N1CCOCC1
InChi:	InChI=1S/C14H19NO2/c16-14(15-9-11-17-12-10-15)8-4-7-13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	1-(morpholin-4-yl)-4-phenylbutan-1-one

I7K

I7K
Name:	1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-4-carboxylic acid
Formula:	C20 H17 N O8 S
SMILES:	O=S(=O)(c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O)N1CCC(CC1)C(=O)O
InChi:	InChI=1S/C20H17NO8S/c22-16-11-3-1-2-4-12(11)17(23)15-13(16)9-14(18(24)19(15)25)30(28,29)21-7-5-10(6-8-21)20(26)27/h1-4,9-10,24-25H,5-8H2,(H,26,27)
Definition date:	2022-01-20
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-4-carboxylic acid

I7N

I7N
Name:	N-[(3R)-1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carbonyl]-L-aspartic acid
Formula:	C24 H22 N2 O11 S
SMILES:	O=S(=O)(c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O)N1CCCC(C1)C(=O)NC(CC(=O)O)C(=O)O
InChi:	InChI=1S/C24H22N2O11S/c27-17(28)9-15(24(34)35)25-23(33)11-4-3-7-26(10-11)38(36,37)16-8-14-18(22(32)21(16)31)20(30)13-6-2-1-5-12(13)19(14)29/h1-2,5-6,8,11,15,31-32H,3-4,7,9-10H2,(H,25,33)(H,27,28)(H,34,35)/t11-,15+/m1/s1
Definition date:	2022-01-21
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	N-[(3R)-1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carbonyl]-L-aspartic acid

I7V

I7V
Name:	(3R)-1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carboxylic acid
Formula:	C20 H17 N O8 S
SMILES:	O=S(=O)(c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O)N1CCCC(C1)C(=O)O
InChi:	InChI=1S/C20H17NO8S/c22-16-11-5-1-2-6-12(11)17(23)15-13(16)8-14(18(24)19(15)25)30(28,29)21-7-3-4-10(9-21)20(26)27/h1-2,5-6,8,10,24-25H,3-4,7,9H2,(H,26,27)/t10-/m1/s1
Definition date:	2022-01-21
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	(3R)-1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carboxylic acid

I8Q

I8Q
Name:	4-amino-3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
Formula:	C14 H9 N O6 S
SMILES:	O=S(=O)(O)c1cc2C(=O)c3ccccc3C(=O)c2c(N)c1O
InChi:	InChI=1S/C14H9NO6S/c15-11-10-8(5-9(14(11)18)22(19,20)21)12(16)6-3-1-2-4-7(6)13(10)17/h1-5,18H,15H2,(H,19,20,21)
Definition date:	2022-01-24
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	4-amino-3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid

I8U

I8U
Name:	3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
Formula:	C14 H8 O6 S
SMILES:	O=S(=O)(O)c1cc2c(cc1O)C(=O)c1ccccc1C2=O
InChi:	InChI=1S/C14H8O6S/c15-11-5-9-10(6-12(11)21(18,19)20)14(17)8-4-2-1-3-7(8)13(9)16/h1-6,15H,(H,18,19,20)
Definition date:	2022-01-24
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid

I8Y

I8Y
Name:	3-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
Formula:	C14 H9 N O6 S
SMILES:	O=S(=O)(O)c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1N
InChi:	InChI=1S/C14H9NO6S/c15-11-9(22(19,20)21)5-8-10(14(11)18)13(17)7-4-2-1-3-6(7)12(8)16/h1-5,18H,15H2,(H,19,20,21)
Definition date:	2022-01-24
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	3-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid

I91

I91
Name:	N-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)glycine
Formula:	C16 H11 N O7 S
SMILES:	O=C(O)CNS(=O)(=O)c1cc2c(cc1O)C(=O)c1ccccc1C2=O
InChi:	InChI=1S/C16H11NO7S/c18-12-5-10-11(6-13(12)25(23,24)17-7-14(19)20)16(22)9-4-2-1-3-8(9)15(10)21/h1-6,17-18H,7H2,(H,19,20)
Definition date:	2022-01-24
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	N-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)glycine

I99

I99
Name:	(3R)-1-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carboxylic acid
Formula:	C20 H17 N O7 S
SMILES:	O=S(=O)(c1cc2C(=O)c3ccccc3C(=O)c2cc1O)N1CCCC(C1)C(=O)O
InChi:	InChI=1S/C20H17NO7S/c22-16-8-14-15(19(24)13-6-2-1-5-12(13)18(14)23)9-17(16)29(27,28)21-7-3-4-11(10-21)20(25)26/h1-2,5-6,8-9,11,22H,3-4,7,10H2,(H,25,26)/t11-/m1/s1
Definition date:	2022-01-24
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	(3R)-1-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carboxylic acid

I9C

I9C
Name:	methyl N-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)glycinate
Formula:	C17 H13 N O7 S
SMILES:	O=C(OC)CNS(=O)(=O)c1cc2c(cc1O)C(=O)c1ccccc1C2=O
InChi:	InChI=1S/C17H13NO7S/c1-25-15(20)8-18-26(23,24)14-7-12-11(6-13(14)19)16(21)9-4-2-3-5-10(9)17(12)22/h2-7,18-19H,8H2,1H3
Definition date:	2022-01-24
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	methyl N-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)glycinate

I9F

I9F
Name:	dimethyl (2R)-2-hydroxy-2-{2-[4-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperazin-1-yl]-2-oxoethyl}butanedioate
Formula:	C26 H26 N2 O11 S
SMILES:	O=S(=O)(c1cc2C(=O)c3ccccc3C(=O)c2cc1O)N1CCN(CC1)C(=O)CC(O)(CC(=O)OC)C(=O)OC
InChi:	InChI=1S/C26H26N2O11S/c1-38-22(31)14-26(35,25(34)39-2)13-21(30)27-7-9-28(10-8-27)40(36,37)20-12-18-17(11-19(20)29)23(32)15-5-3-4-6-16(15)24(18)33/h3-6,11-12,29,35H,7-10,13-14H2,1-2H3/t26-/m1/s1
Definition date:	2022-01-24
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	dimethyl (2R)-2-hydroxy-2-{2-[4-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperazin-1-yl]-2-oxoethyl}butanedioate

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