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UOG

UOG
Name:	(2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone
Formula:	C30 H39 N5 O5
SMILES:	C1(NC(C)c4ccc3c(cc(C=CC(C(=O)OC(C(NC(C(N2CCCC1N2)=O)C)=O)C(C)C)(C)C)cc3)n4)=O
InChi:	InChI=1S/C30H39N5O5/c1-17(2)25-27(37)32-19(4)28(38)35-15-7-8-23(34-35)26(36)31-18(3)22-12-11-21-10-9-20(16-24(21)33-22)13-14-30(5,6)29(39)40-25/h9-14,16-19,23,25,34H,7-8,15H2,1-6H3,(H,31,36)(H,32,37)/b14-13+/t18-,19+,23+,25+/m1/s1
Definition date:	2020-05-26
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	(2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone (non-preferred name)

UOJ

UOJ
Name:	(2R,5S,11S,14S,18E)-14-cyclobutyl-2,11,17,17-tetramethyl-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone
Formula:	C31 H39 N5 O5
SMILES:	C5(C1C(NC(C(N4CCCC(C(NC(c3ccc2c(cc(C=CC(C(=O)O1)(C)C)cc2)n3)C)=O)N4)=O)C)=O)CCC5
InChi:	InChI=1S/C31H39N5O5/c1-18-23-13-12-21-11-10-20(17-25(21)34-23)14-15-31(3,4)30(40)41-26(22-7-5-8-22)28(38)33-19(2)29(39)36-16-6-9-24(35-36)27(37)32-18/h10-15,17-19,22,24,26,35H,5-9,16H2,1-4H3,(H,32,37)(H,33,38)/b15-14+/t18-,19+,24+,26+/m1/s1
Definition date:	2020-05-26
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	(2R,5S,11S,14S,18E)-14-cyclobutyl-2,11,17,17-tetramethyl-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone (non-preferred name)

R2V

R2V
Name:	5'-deoxy-5'-{[(3-hydroxybenzene-1-carbonyl)sulfamoyl]amino}adenosine
Formula:	C17 H19 N7 O7 S
SMILES:	n1(cnc2c(N)ncnc12)C3OC(C(O)C3O)CNS(NC(c4cccc(c4)O)=O)(=O)=O
InChi:	InChI=1S/C17H19N7O7S/c18-14-11-15(20-6-19-14)24(7-21-11)17-13(27)12(26)10(31-17)5-22-32(29,30)23-16(28)8-2-1-3-9(25)4-8/h1-4,6-7,10,12-13,17,22,25-27H,5H2,(H,23,28)(H2,18,19,20)/t10-,12-,13-,17-/m1/s1
Definition date:	2020-01-28
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	5'-deoxy-5'-{[(3-hydroxybenzene-1-carbonyl)sulfamoyl]amino}adenosine

UQD

UQD
Name:	3-chloro-4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide
Formula:	C18 H16 Cl N5 O
SMILES:	n2cnc(c1ccc(C)cc1)c(O)c2Nc3ccc(/C(N)=N)cc3Cl
InChi:	InChI=1S/C18H16ClN5O/c1-10-2-4-11(5-3-10)15-16(25)18(23-9-22-15)24-14-7-6-12(17(20)21)8-13(14)19/h2-9,25H,1H3,(H3,20,21)(H,22,23,24)
Definition date:	2020-05-27
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	3-chloro-4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide

UQG

UQG
Name:	4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide
Formula:	C18 H17 N5 O
SMILES:	n2cnc(c1ccc(C)cc1)c(O)c2Nc3ccc(cc3)/C(N)=N
InChi:	InChI=1S/C18H17N5O/c1-11-2-4-12(5-3-11)15-16(24)18(22-10-21-15)23-14-8-6-13(7-9-14)17(19)20/h2-10,24H,1H3,(H3,19,20)(H,21,22,23)
Definition date:	2020-05-27
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide

QSJ

QSJ
Name:	(3R,4R)-1-{3-[(E)-2-(4-chlorophenyl)ethenyl]-4-methoxy-5-methylphenyl}-3,4-dihydroxypyrrolidin-2-one
Formula:	C20 H20 Cl N O4
SMILES:	c2(N1CC(C(C1=O)O)O)cc(c(c(c2)[C@H]=[C@H]c3ccc(cc3)Cl)OC)C
InChi:	InChI=1S/C20H20ClNO4/c1-12-9-16(22-11-17(23)18(24)20(22)25)10-14(19(12)26-2)6-3-13-4-7-15(21)8-5-13/h3-10,17-18,23-24H,11H2,1-2H3/b6-3+/t17-,18-/m1/s1
Definition date:	2019-12-16
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	(3R,4R)-1-{3-[(E)-2-(4-chlorophenyl)ethenyl]-4-methoxy-5-methylphenyl}-3,4-dihydroxypyrrolidin-2-one

R7S

R7S
Name:	6-[(1,3-benzothiazol-6-yl)amino]-4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
Formula:	C21 H24 F N5 O2 S
SMILES:	CC(O)(C)C(F)CNC(=O)c4c(NC1CC1)cc(Nc3ccc2ncsc2c3)nc4
InChi:	InChI=1S/C21H24FN5O2S/c1-21(2,29)18(22)10-24-20(28)14-9-23-19(8-16(14)26-12-3-4-12)27-13-5-6-15-17(7-13)30-11-25-15/h5-9,11-12,18,29H,3-4,10H2,1-2H3,(H,24,28)(H2,23,26,27)/t18-/m1/s1
Definition date:	2020-02-06
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	6-[(1,3-benzothiazol-6-yl)amino]-4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide

WK1

WK1
Name:	(2S)-3-[(2S,4E)-4-[[(1R,2S,4aR,6S,8R,8aS)-2-[(E)-but-2-en-2-yl]-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-oxidanyl-methylidene]-3,5-bis(oxidanylidene)pyrrolidin-2-yl]-2-methyl-2-oxidanyl-propanoic acid
Formula:	C25 H35 N O6
SMILES:	CC=C(C)[CH]1C=C[CH]2C[CH](C)C[CH](C)[CH]2[CH]1C(O)=C3C(=O)N[CH](C[C](C)(O)C(O)=O)C3=O
InChi:	InChI=1S/C25H35NO6/c1-6-13(3)16-8-7-15-10-12(2)9-14(4)18(15)19(16)22(28)20-21(27)17(26-23(20)29)11-25(5,32)24(30)31/h6-8,12,14-19,28,32H,9-11H2,1-5H3,(H,26,29)(H,30,31)/b13-6+,22-20+/t12-,14+,15-,16+,17-,18-,19-,25-/m0/s1
Definition date:	2019-07-03
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	(2~{S})-3-[(2~{S},4~{E})-4-[[(1~{R},2~{S},4~{a}~{R},6~{S},8~{R},8~{a}~{S})-2-[(~{E})-but-2-en-2-yl]-6,8-dimethyl-1,2,4~{a},5,6,7,8,8~{a}-octahydronaphthalen-1-yl]-oxidanyl-methylidene]-3,5-bis(oxidanylidene)pyrrolidin-2-yl]-2-methyl-2-oxidanyl-propanoic acid

U6V

U6V
Name:	N~2~-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide
Formula:	C28 H35 F N4 O3 S
SMILES:	C(c1ccc(F)cc1)N(CCc2ccc(cc2)S(N)(=O)=O)C(CN(CCc3ccccc3)CCCN)=O
InChi:	InChI=1S/C28H35FN4O3S/c29-26-11-7-25(8-12-26)21-33(20-16-24-9-13-27(14-10-24)37(31,35)36)28(34)22-32(18-4-17-30)19-15-23-5-2-1-3-6-23/h1-3,5-14H,4,15-22,30H2,(H2,31,35,36)
Definition date:	2020-04-29
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	N~2~-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide

U77

U77
Name:	N-(2-{[(furan-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine
Formula:	C26 H31 N3 O6 S
SMILES:	c1c(ccc(c1)CCN(C(CN(CCc2ccccc2)CCC(O)=O)=O)Cc3occc3)S(N)(=O)=O
InChi:	InChI=1S/C26H31N3O6S/c27-36(33,34)24-10-8-22(9-11-24)13-17-29(19-23-7-4-18-35-23)25(30)20-28(16-14-26(31)32)15-12-21-5-2-1-3-6-21/h1-11,18H,12-17,19-20H2,(H,31,32)(H2,27,33,34)
Definition date:	2020-04-29
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	N-(2-{[(furan-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine

U7A

U7A
Name:	N~2~-(2-cyanoethyl)-N,N~2~-bis(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide
Formula:	C29 H34 N4 O3 S
SMILES:	c1c(ccc(c1)CCN(C(CN(CCc2ccccc2)CCC#N)=O)CCc3ccccc3)S(N)(=O)=O
InChi:	InChI=1S/C29H34N4O3S/c30-19-7-20-32(21-16-25-8-3-1-4-9-25)24-29(34)33(22-17-26-10-5-2-6-11-26)23-18-27-12-14-28(15-13-27)37(31,35)36/h1-6,8-15H,7,16-18,20-24H2,(H2,31,35,36)
Definition date:	2020-04-29
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	N~2~-(2-cyanoethyl)-N,N~2~-bis(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide

U7G

U7G
Name:	N~2~-(3-aminopropyl)-N-[(furan-2-yl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide
Formula:	C26 H34 N4 O4 S
SMILES:	c1c(ccc(c1)CCN(C(CN(CCc2ccccc2)CCCN)=O)Cc3occc3)S(N)(=O)=O
InChi:	InChI=1S/C26H34N4O4S/c27-15-5-16-29(17-13-22-6-2-1-3-7-22)21-26(31)30(20-24-8-4-19-34-24)18-14-23-9-11-25(12-10-23)35(28,32)33/h1-4,6-12,19H,5,13-18,20-21,27H2,(H2,28,32,33)
Definition date:	2020-04-29
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	N~2~-(3-aminopropyl)-N-[(furan-2-yl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide

U7J

U7J
Name:	N-(2-{[(naphthalen-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine
Formula:	C32 H35 N3 O5 S
SMILES:	C(=O)(N(Cc2ccc1ccccc1c2)CCc3ccc(cc3)S(N)(=O)=O)CN(CCc4ccccc4)CCC(O)=O
InChi:	InChI=1S/C32H35N3O5S/c33-41(39,40)30-14-11-26(12-15-30)17-21-35(23-27-10-13-28-8-4-5-9-29(28)22-27)31(36)24-34(20-18-32(37)38)19-16-25-6-2-1-3-7-25/h1-15,22H,16-21,23-24H2,(H,37,38)(H2,33,39,40)
Definition date:	2020-04-29
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	N-(2-{[(naphthalen-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine

FHX

FHX
Name:	3-[(3S,4R)-3-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxidanylidene-propanenitrile
Formula:	C16 H18 N6 O
SMILES:	C[CH]1CN(C(=O)CC#N)[C]12CCN(C2)c3ncnc4[nH]ccc34
InChi:	InChI=1S/C16H18N6O/c1-11-8-22(13(23)2-5-17)16(11)4-7-21(9-16)15-12-3-6-18-14(12)19-10-20-15/h3,6,10-11H,2,4,7-9H2,1H3,(H,18,19,20)/t11-,16-/m0/s1
Definition date:	2020-05-14
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	3-[(3~{S},4~{R})-3-methyl-7-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxidanylidene-propanenitrile

ICZ

ICZ
Name:	iron-sulfur-molybdenum cluster with interstitial carbon
Formula:	C Fe7 Mo S7
SMILES:	S1[Fe]S[Fe]2S[Fe]3S[Fe]4S[Mo]5S[Fe][C]234([Fe]1)[Fe]S5
InChi:	InChI=1S/C.7Fe.Mo.7S
Definition date:	2019-09-26
Last modified:	2020-06-19
Release date:	2020-06-24

E7L

E7L
Name:	S-(2-acetamidoethyl) (2R)-2-azanyl-4-methyl-pentanethioate
Formula:	C10 H20 N2 O2 S
SMILES:	CC(C)C[CH](N)C(=O)SCCNC(C)=O
InChi:	InChI=1S/C10H20N2O2S/c1-7(2)6-9(11)10(14)15-5-4-12-8(3)13/h7,9H,4-6,11H2,1-3H3,(H,12,13)/t9-/m1/s1
Definition date:	2019-11-11
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	~{S}-(2-acetamidoethyl) (2~{R})-2-azanyl-4-methyl-pentanethioate

D4R

D4R
Name:	(4R,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
Formula:	C19 H21 N O3
SMILES:	COC1=CC=C2[CH]3Cc4ccc(OC)c5O[CH]1[C]2(CCN3C)c45
InChi:	InChI=1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3/t13-,18+,19+/m1/s1
Synonyms:	Thebaine
Definition date:	2019-06-27
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	(4~{R},7~{a}~{R},12~{b}~{S})-7,9-dimethoxy-3-methyl-2,4,7~{a},13-tetrahydro-1~{H}-4,12-methanobenzofuro[3,2-e]isoquinoline

LLQ

LLQ
Name:	(2~{S})-2,3-bis(oxidanyl)propane-1-sulfonic acid
Formula:	C3 H8 O5 S
SMILES:	OC[CH](O)C[S](O)(=O)=O
InChi:	InChI=1S/C3H8O5S/c4-1-3(5)2-9(6,7)8/h3-5H,1-2H2,(H,6,7,8)/t3-/m0/s1
Definition date:	2019-08-23
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	(2~{S})-2,3-bis(oxidanyl)propane-1-sulfonic acid

LMK

LMK
Name:	trimethyl-[(2~{R})-1-oxidanyl-1-oxidanylidene-4-[(2~{S})-2-[(1~{S})-1-oxidanyloctadecoxy]-3-[(1~{R})-1-oxidanyloctadecoxy]propoxy]butan-2-yl]azanium
Formula:	C46 H94 N O7
SMILES:	CCCCCCCCCCCCCCCCC[CH](O)OC[CH](COCC[CH](C(O)=O)[N+](C)(C)C)O[CH](O)CCCCCCCCCCCCCCCCC
InChi:	InChI=1S/C46H93NO7/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-44(48)53-41-42(40-52-39-38-43(46(50)51)47(3,4)5)54-45(49)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h42-45,48-49H,6-41H2,1-5H3/p+1/t42-,43+,44+,45-/m0/s1
Definition date:	2019-08-27
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	trimethyl-[(2~{R})-1-oxidanyl-1-oxidanylidene-4-[(2~{S})-2-[(1~{S})-1-oxidanyloctadecoxy]-3-[(1~{R})-1-oxidanyloctadecoxy]propoxy]butan-2-yl]azanium

ND8

ND8
Name:	benzothiophene 2 carboxylic acid
Formula:	C9 H6 O2 S
SMILES:	OC(=O)c1sc2ccccc2c1
InChi:	InChI=1S/C9H6O2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11)
Definition date:	2019-11-22
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	1-benzothiophene-2-carboxylic acid

EQL

EQL
Name:	1,3-bis(oxidanylidene)benzo[de]isoquinoline-6,7-dicarboxylic acid
Formula:	C14 H7 N O6
SMILES:	OC(=O)c1ccc2C(=O)NC(=O)c3ccc(C(O)=O)c1c23
InChi:	InChI=1S/C14H7NO6/c16-11-5-1-3-7(13(18)19)10-8(14(20)21)4-2-6(9(5)10)12(17)15-11/h1-4H,(H,18,19)(H,20,21)(H,15,16,17)
Definition date:	2020-01-21
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	1,3-bis(oxidanylidene)benzo[de]isoquinoline-6,7-dicarboxylic acid

EQR

EQR
Name:	3-[5-(2-hydroxy-2-oxoethyl)-3-oxidanylidene-[1,2,4]triazino[2,3-a]benzimidazol-2-yl]propanoic acid
Formula:	C14 H12 N4 O5
SMILES:	OC(=O)CCC1=NN2c3ccccc3N(CC(O)=O)C2=NC1=O
InChi:	InChI=1S/C14H12N4O5/c19-11(20)6-5-8-13(23)15-14-17(7-12(21)22)9-3-1-2-4-10(9)18(14)16-8/h1-4H,5-7H2,(H,19,20)(H,21,22)
Definition date:	2020-01-21
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	3-[5-(2-hydroxy-2-oxoethyl)-3-oxidanylidene-[1,2,4]triazino[2,3-a]benzimidazol-2-yl]propanoic acid

EQX

EQX
Name:	4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-4-oxidanylidene-butanoic acid
Formula:	C14 H14 N6 O3
SMILES:	Cc1nn2c(NNC(=O)CCC(O)=O)nc3ccccc3c2n1
InChi:	InChI=1S/C14H14N6O3/c1-8-15-13-9-4-2-3-5-10(9)16-14(20(13)19-8)18-17-11(21)6-7-12(22)23/h2-5H,6-7H2,1H3,(H,16,18)(H,17,21)(H,22,23)
Definition date:	2020-01-21
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-4-oxidanylidene-butanoic acid

ER6

ER6
Name:	(3R)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxylic acid
Formula:	C17 H17 N3 O2
SMILES:	OC(=O)[CH]1CCCN(C1)c2nc3ccccc3n4cccc24
InChi:	InChI=1S/C17H17N3O2/c21-17(22)12-5-3-9-19(11-12)16-15-8-4-10-20(15)14-7-2-1-6-13(14)18-16/h1-2,4,6-8,10,12H,3,5,9,11H2,(H,21,22)/t12-/m1/s1
Definition date:	2020-01-21
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	(3~{R})-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxylic acid

ER9

ER9
Name:	3-[[5-(1,2,4-triazol-4-yl)-4H-1,2,4-triazol-3-yl]carbonylamino]benzoic acid
Formula:	C12 H9 N7 O3
SMILES:	OC(=O)c1cccc(NC(=O)c2[nH]c(nn2)n3cnnc3)c1
InChi:	InChI=1S/C12H9N7O3/c20-10(15-8-3-1-2-7(4-8)11(21)22)9-16-12(18-17-9)19-5-13-14-6-19/h1-6H,(H,15,20)(H,21,22)(H,16,17,18)
Definition date:	2020-01-21
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	3-[[5-(1,2,4-triazol-4-yl)-4~{H}-1,2,4-triazol-3-yl]carbonylamino]benzoic acid

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