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F4F

F4F
Name:	(5aS,6R,9S,9aS)-9-methyl-9-oxidanyl-1-oxidanylidene-6-propan-2-yl-3,5a,6,7,8,9a-hexahydro-2-benzoxepine-4-carboxylic acid
Formula:	C15 H22 O5
SMILES:	CC(C)[CH]1CC[C](C)(O)[CH]2[CH]1C=C(COC2=O)C(O)=O
InChi:	InChI=1S/C15H22O5/c1-8(2)10-4-5-15(3,19)12-11(10)6-9(13(16)17)7-20-14(12)18/h6,8,10-12,19H,4-5,7H2,1-3H3,(H,16,17)/t10-,11-,12-,15+/m1/s1
Definition date:	2020-03-23
Last modified:	2020-12-25
Release date:	2020-12-30
Identifier:	(5~{a}~{S},6~{R},9~{S},9~{a}~{S})-9-methyl-9-oxidanyl-1-oxidanylidene-6-propan-2-yl-3,5~{a},6,7,8,9~{a}-hexahydro-2-benzoxepine-4-carboxylic acid

VHV

VHV
Name:	N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Formula:	C26 H40 N4 O6
SMILES:	c1ccc(cc1)COC(NC(C(C)C)C(=O)NC(C(NC(CO)CC2C(=O)NCC2)=O)CC(C)C)=O
InChi:	InChI=1S/C26H40N4O6/c1-16(2)12-21(24(33)28-20(14-31)13-19-10-11-27-23(19)32)29-25(34)22(17(3)4)30-26(35)36-15-18-8-6-5-7-9-18/h5-9,16-17,19-22,31H,10-15H2,1-4H3,(H,27,32)(H,28,33)(H,29,34)(H,30,35)/t19-,20-,21-,22-/m0/s1
Definition date:	2020-08-13
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide

VYY

VYY
Name:	4-{[(2-{[(4-methylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide
Formula:	C16 H20 N4 O5 S2
SMILES:	N(C(NCCS(Nc1ccc(S(=O)(=O)N)cc1)(=O)=O)=O)c2ccc(C)cc2
InChi:	InChI=1S/C16H20N4O5S2/c1-12-2-4-13(5-3-12)19-16(21)18-10-11-26(22,23)20-14-6-8-15(9-7-14)27(17,24)25/h2-9,20H,10-11H2,1H3,(H2,17,24,25)(H2,18,19,21)
Definition date:	2020-09-22
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	4-{[(2-{[(4-methylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide

VZ1

VZ1
Name:	4-{[(2-{[(3,5-dimethylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide
Formula:	C17 H22 N4 O5 S2
SMILES:	c2c(NC(NCCS(Nc1ccc(S(=O)(=O)N)cc1)(=O)=O)=O)cc(cc2C)C
InChi:	InChI=1S/C17H22N4O5S2/c1-12-9-13(2)11-15(10-12)20-17(22)19-7-8-27(23,24)21-14-3-5-16(6-4-14)28(18,25)26/h3-6,9-11,21H,7-8H2,1-2H3,(H2,18,25,26)(H2,19,20,22)
Definition date:	2020-09-23
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	4-{[(2-{[(3,5-dimethylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide

VZD

VZD
Name:	4-{[(2-{[(4-fluorophenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide
Formula:	C15 H17 F N4 O5 S2
SMILES:	N(c1ccc(F)cc1)C(NCCS(Nc2ccc(cc2)S(N)(=O)=O)(=O)=O)=O
InChi:	InChI=1S/C15H17FN4O5S2/c16-11-1-3-12(4-2-11)19-15(21)18-9-10-26(22,23)20-13-5-7-14(8-6-13)27(17,24)25/h1-8,20H,9-10H2,(H2,17,24,25)(H2,18,19,21)
Definition date:	2020-09-23
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	4-{[(2-{[(4-fluorophenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide

QNQ

QNQ
Name:	4-methylcatechol cysteine
Formula:	C10 H13 N O4 S
SMILES:	Cc1ccc(O)c(O)c1SC[CH](N)C(O)=O
InChi:	InChI=1S/C10H13NO4S/c1-5-2-3-7(12)8(13)9(5)16-4-6(11)10(14)15/h2-3,6,12-13H,4,11H2,1H3,(H,14,15)/t6-/m0/s1
Definition date:	2020-07-08
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	(2~{R})-2-azanyl-3-[6-methyl-2,3-bis(oxidanyl)phenyl]sulfanyl-propanoic acid

QNT

QNT
Name:	3,6-dimethylcatechol cysteine
Formula:	C11 H15 N O4 S
SMILES:	Cc1cc(SC[CH](N)C(O)=O)c(C)c(O)c1O
InChi:	InChI=1S/C11H15NO4S/c1-5-3-8(6(2)10(14)9(5)13)17-4-7(12)11(15)16/h3,7,13-14H,4,12H2,1-2H3,(H,15,16)/t7-/m0/s1
Definition date:	2020-07-08
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	(2~{R})-2-azanyl-3-[2,5-dimethyl-3,4-bis(oxidanyl)phenyl]sulfanyl-propanoic acid

QNW

QNW
Name:	3-methylcatechol cysteine
Formula:	C10 H13 N O4 S
SMILES:	Cc1ccc(SC[CH](N)C(O)=O)c(O)c1O
InChi:	InChI=1S/C10H13NO4S/c1-5-2-3-7(9(13)8(5)12)16-4-6(11)10(14)15/h2-3,6,12-13H,4,11H2,1H3,(H,14,15)/t6-/m0/s1
Definition date:	2020-07-08
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	(2~{R})-2-azanyl-3-[4-methyl-2,3-bis(oxidanyl)phenyl]sulfanyl-propanoic acid

QO2

QO2
Name:	4,5-dimethylcatechol cysteine
Formula:	C11 H15 N O4 S
SMILES:	Cc1cc(O)c(O)c(SC[CH](N)C(O)=O)c1C
InChi:	InChI=1S/C11H15NO4S/c1-5-3-8(13)9(14)10(6(5)2)17-4-7(12)11(15)16/h3,7,13-14H,4,12H2,1-2H3,(H,15,16)/t7-/m0/s1
Definition date:	2020-07-08
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	(2~{R})-2-azanyl-3-[2,3-dimethyl-5,6-bis(oxidanyl)phenyl]sulfanyl-propanoic acid

QO5

QO5
Name:	3,5-dimethylcatechol cysteine
Formula:	C11 H15 N O4 S
SMILES:	Cc1cc(C)c(SC[CH](N)C(O)=O)c(O)c1O
InChi:	InChI=1S/C11H15NO4S/c1-5-3-6(2)10(9(14)8(5)13)17-4-7(12)11(15)16/h3,7,13-14H,4,12H2,1-2H3,(H,15,16)/t7-/m0/s1
Definition date:	2020-07-08
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	(2~{R})-2-azanyl-3-[4,6-dimethyl-2,3-bis(oxidanyl)phenyl]sulfanyl-propanoic acid

QO8

QO8
Name:	3,4-dimethylcatechol cysteine
Formula:	C11 H17 N O4 S
SMILES:	Cc1cc(SC[CH](N)C(O)O)c(O)c(O)c1C
InChi:	InChI=1S/C11H17NO4S/c1-5-3-8(10(14)9(13)6(5)2)17-4-7(12)11(15)16/h3,7,11,13-16H,4,12H2,1-2H3/t7-/m0/s1
Definition date:	2020-07-08
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	6-[(2~{R})-2-azanyl-3,3-bis(oxidanyl)propyl]sulfanyl-3,4-dimethyl-benzene-1,2-diol

WZD

WZD
Name:	N-[(furan-2-yl)methyl]-1H-benzimidazol-2-amine
Formula:	C12 H11 N3 O
SMILES:	c1cccc2c1nc(n2)NCc3ccco3
InChi:	InChI=1S/C12H11N3O/c1-2-6-11-10(5-1)14-12(15-11)13-8-9-4-3-7-16-9/h1-7H,8H2,(H2,13,14,15)
Definition date:	2020-11-18
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	N-[(furan-2-yl)methyl]-1H-benzimidazol-2-amine

SBQ

SBQ
Name:	methyl 3-[3-chloranyl-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]benzoate
Formula:	C20 H21 Cl O8
SMILES:	COC(=O)c1cccc(c1)c2ccc(O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)c(Cl)c2
InChi:	InChI=1S/C20H21ClO8/c1-27-19(26)12-4-2-3-10(7-12)11-5-6-14(13(21)8-11)28-20-18(25)17(24)16(23)15(9-22)29-20/h2-8,15-18,20,22-25H,9H2,1H3/t15-,16-,17+,18+,20+/m1/s1
Definition date:	2020-11-13
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	methyl 3-[3-chloranyl-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]benzoate

RXN

RXN
Name:	(S)-2-benzyl-6-(8-chloro-5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-7-oxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridine-3-carboxamide
Formula:	C24 H22 Cl N5 O4
SMILES:	CN1C(=O)[CH](COc2cc(Cl)ccc12)N3CCc4c(nn(Cc5ccccc5)c4C(N)=O)C3=O
InChi:	InChI=1S/C24H22ClN5O4/c1-28-17-8-7-15(25)11-19(17)34-13-18(23(28)32)29-10-9-16-20(24(29)33)27-30(21(16)22(26)31)12-14-5-3-2-4-6-14/h2-8,11,18H,9-10,12-13H2,1H3,(H2,26,31)/t18-/m0/s1
Synonyms:	6-[(3S)-8-chloranyl-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-7-oxidanylidene-2-(phenylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide
Definition date:	2020-10-31
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	6-[(3~{S})-8-chloranyl-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-7-oxidanylidene-2-(phenylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide

QRM

QRM
Name:	3-aminocyclohexa-1,3-diene-1-carboxylic acid
Formula:	C7 H9 N O2
SMILES:	C(=O)(O)C=1CCC=C(C=1)N
InChi:	InChI=1S/C7H9NO2/c8-6-3-1-2-5(4-6)7(9)10/h3-4H,1-2,8H2,(H,9,10)
Definition date:	2019-12-11
Last modified:	2020-12-18
Release date:	2020-12-16
Identifier:	3-aminocyclohexa-1,3-diene-1-carboxylic acid

QU7

QU7
Name:	(1S,3aS,6aS)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol
Formula:	C28 H34 O
SMILES:	C21CC(=C(C1(CCC2O)/C(c3ccccc3)=C)c4ccccc4)CCCCCC
InChi:	InChI=1S/C28H34O/c1-3-4-5-8-17-24-20-25-26(29)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26,29H,2-5,8,17-20H2,1H3/t25-,26+,28-/m1/s1
Synonyms:	SS-RJW100
Definition date:	2019-12-20
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	(1S,3aS,6aS)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol

XM2

XM2
Name:	N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide
Formula:	C32 H44 N4 O7
SMILES:	c1ccc(cc1)COC(NC(C(=O)NC(C(NC(CC2C(NCC2)=O)CO)=O)Cc3ccccc3)C(C)OC(C)(C)C)=O
InChi:	InChI=1S/C32H44N4O7/c1-21(43-32(2,3)4)27(36-31(41)42-20-23-13-9-6-10-14-23)30(40)35-26(17-22-11-7-5-8-12-22)29(39)34-25(19-37)18-24-15-16-33-28(24)38/h5-14,21,24-27,37H,15-20H2,1-4H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41)/t21-,24+,25+,26+,27+/m1/s1
Definition date:	2020-08-13
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide

VC7

VC7
Name:	5'-O-[(R)-hydroxy(methyl)phosphoryl]guanosine
Formula:	C11 H16 N5 O7 P
SMILES:	C1(C(C(O)C(COP(C)(=O)O)O1)O)n3c2N=C(N)NC(c2nc3)=O
InChi:	InChI=1S/C11H16N5O7P/c1-24(20,21)22-2-4-6(17)7(18)10(23-4)16-3-13-5-8(16)14-11(12)15-9(5)19/h3-4,6-7,10,17-18H,2H2,1H3,(H,20,21)(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1
Definition date:	2020-07-27
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	5'-O-[(R)-hydroxy(methyl)phosphoryl]guanosine

UZD

UZD
Name:	methyl 6-O-(heptylcarbamoyl)-beta-L-altropyranoside
Formula:	C15 H29 N O7
SMILES:	O=C(OCC1OC(C(C(C1O)O)O)OC)NCCCCCCC
InChi:	InChI=1S/C15H29NO7/c1-3-4-5-6-7-8-16-15(20)22-9-10-11(17)12(18)13(19)14(21-2)23-10/h10-14,17-19H,3-9H2,1-2H3,(H,16,20)/t10-,11-,12-,13+,14-/m0/s1
Definition date:	2020-06-08
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	methyl 6-O-(heptylcarbamoyl)-beta-L-altropyranoside

WT7

WT7
Name:	5'-O-[(S)-butoxy(hydroxy)phosphoryl]adenosine
Formula:	C14 H22 N5 O7 P
SMILES:	C1(C(C(C(O1)n3cnc2c(N)ncnc23)O)O)COP(OCCCC)(=O)O
InChi:	InChI=1S/C14H22N5O7P/c1-2-3-4-24-27(22,23)25-5-8-10(20)11(21)14(26-8)19-7-18-9-12(15)16-6-17-13(9)19/h6-8,10-11,14,20-21H,2-5H2,1H3,(H,22,23)(H2,15,16,17)/t8-,10-,11-,14-/m1/s1
Definition date:	2020-11-06
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	5'-O-[(S)-butoxy(hydroxy)phosphoryl]adenosine

SYZ

SYZ
Name:	N-(2-(2,4-dioxothiazolidin-3-yl)ethyl)-3-methylbenzamide
Formula:	C13 H14 N2 O3 S
SMILES:	Cc1cccc(c1)C(=O)NCCN2C(=O)CSC2=O
InChi:	InChI=1S/C13H14N2O3S/c1-9-3-2-4-10(7-9)12(17)14-5-6-15-11(16)8-19-13(15)18/h2-4,7H,5-6,8H2,1H3,(H,14,17)
Synonyms:	~{N}-[2-[2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]-3-methyl-benzamide
Definition date:	2020-12-08
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	~{N}-[2-[2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]-3-methyl-benzamide

SZB

SZB
Name:	succinimide
Formula:	C4 H3 N O2
SMILES:	O=C1NC(=O)C=C1
InChi:	InChI=1S/C4H3NO2/c6-3-1-2-4(7)5-3/h1-2H,(H,5,6,7)
Synonyms:	pyrrolidine-2,5-dione
Definition date:	2020-12-08
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	pyrrole-2,5-dione

SZN

SZN
Name:	N-[2-(2,5-Dioxopyrrolidin-1-yl)ethyl]-3-methylbenzamide
Formula:	C14 H16 N2 O3
SMILES:	Cc1cccc(c1)C(=O)NCCN2C(=O)CCC2=O
InChi:	InChI=1S/C14H16N2O3/c1-10-3-2-4-11(9-10)14(19)15-7-8-16-12(17)5-6-13(16)18/h2-4,9H,5-8H2,1H3,(H,15,19)
Synonyms:	~{N}-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethyl]-3-methyl-benzamide
Definition date:	2020-12-08
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	~{N}-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethyl]-3-methyl-benzamide

U8M

U8M
Name:	3-[(Z)-(2,3-difluorophenyl)diazenyl]pyridine-2,6-diamine
Formula:	C11 H9 F2 N5
SMILES:	n1c(ccc(c1N)/N=Nc2cccc(F)c2F)N
InChi:	InChI=1S/C11H9F2N5/c12-6-2-1-3-7(10(6)13)17-18-8-4-5-9(14)16-11(8)15/h1-5H,(H4,14,15,16)
Definition date:	2020-05-04
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	3-[(Z)-(2,3-difluorophenyl)diazenyl]pyridine-2,6-diamine

VHJ

VHJ
Name:	N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]propan-2-yl}-L-phenylalaninamide
Formula:	C29 H38 N4 O6
SMILES:	c1ccc(cc1)COC(NC(C(=O)NC(C(NC(CC2C(NCC2)=O)CO)=O)Cc3ccccc3)C(C)C)=O
InChi:	InChI=1S/C29H38N4O6/c1-19(2)25(33-29(38)39-18-21-11-7-4-8-12-21)28(37)32-24(15-20-9-5-3-6-10-20)27(36)31-23(17-34)16-22-13-14-30-26(22)35/h3-12,19,22-25,34H,13-18H2,1-2H3,(H,30,35)(H,31,36)(H,32,37)(H,33,38)/t22-,23-,24-,25-/m0/s1
Definition date:	2020-08-12
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide

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