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UJN

UJN
Name:	[oxidanyl-[(2S,3R,5S,6S)-4-phenylmethoxy-2,3,5,6-tetraphosphonooxy-cyclohexyl]oxy-phosphoryl]methylphosphonic acid
Formula:	C14 H26 O23 P6
SMILES:	O[P](O)(=O)C[P](O)(=O)O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](OCc2ccccc2)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O
InChi:	InChI=1S/C14H26O23P6/c15-38(16,17)7-39(18,19)33-12-13(36-42(26,27)28)10(34-40(20,21)22)9(32-6-8-4-2-1-3-5-8)11(35-41(23,24)25)14(12)37-43(29,30)31/h1-5,9-14H,6-7H2,(H,18,19)(H2,15,16,17)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)/t9-,10-,11+,12-,13-,14-/m1/s1
Synonyms:	[oxidanyl-[(2~{S},3~{R},5~{S},6~{S})-4-phenylmethoxy-2,3,5,6-tetraphosphonooxy-cyclohexyl]oxy-phosphoryl]methylphosphonic acid
Definition date:	2021-02-25
Last modified:	2022-03-18
Release date:	2022-03-23
Identifier:	[oxidanyl-[(2~{S},3~{R},5~{S},6~{S})-4-phenylmethoxy-2,3,5,6-tetraphosphonooxy-cyclohexyl]oxy-phosphoryl]methylphosphonic acid

UQB

UQB
Name:	(1R)-2-amino-1-(4-fluorophenyl)ethanol
Formula:	C8 H10 F N O
SMILES:	NC[CH](O)c1ccc(F)cc1
InChi:	InChI=1S/C8H10FNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,11H,5,10H2/t8-/m0/s1
Synonyms:	(1~{R})-2-azanyl-1-(4-fluorophenyl)ethanol
Definition date:	2021-03-06
Last modified:	2022-03-18
Release date:	2022-03-23
Identifier:	(1~{R})-2-azanyl-1-(4-fluorophenyl)ethanol

J2O

J2O
Name:	11-methyl-2-oxa-4-thia-6,7-diaza-3$l^{3}-auratricyclo[7.4.0.0^{3,7}]trideca-1(13),5,9,11-tetraen-5-amine
Formula:	C9 H10 Au N3 O S
SMILES:	Cc1ccc2O[Au]3SC(=NN3Cc2c1)N
InChi:	InChI=1S/C9H12N3OS.Au/c1-6-2-3-8(13)7(4-6)5-11-12-9(10)14
Definition date:	2021-03-24
Last modified:	2022-03-18
Release date:	2022-03-23
Identifier:	11-methyl-2-oxa-4-thia-6,7-diaza-3$l^{3}-auratricyclo[7.4.0.0^{3,7}]trideca-1(13),5,9,11-tetraen-5-amine

1LK

1LK
Name:	1,4-anhydro-2-deoxy-2-fluoro-5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-D-arabinitol
Formula:	C5 H11 F O9 P2
SMILES:	OC1C(COP(=O)(O)OP(=O)(O)O)OCC1F
InChi:	InChI=1S/C5H11FO9P2/c6-3-1-13-4(5(3)7)2-14-17(11,12)15-16(8,9)10/h3-5,7H,1-2H2,(H,11,12)(H2,8,9,10)/t3-,4-,5+/m1/s1
Definition date:	2021-06-23
Last modified:	2022-03-18
Release date:	2022-03-23
Identifier:	1,4-anhydro-2-deoxy-2-fluoro-5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-D-arabinitol

1O4

1O4
Name:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(8-azanylisoquinolin-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Formula:	C24 H30 N7 O13 P2
SMILES:	Nc1cccc2cc[n+](cc12)C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O
InChi:	InChI=1S/C24H29N7O13P2/c25-13-3-1-2-11-4-5-30(6-12(11)13)23-19(34)17(32)14(42-23)7-40-45(36,37)44-46(38,39)41-8-15-18(33)20(35)24(43-15)31-10-29-16-21(26)27-9-28-22(16)31/h1-6,9-10,14-15,17-20,23-25,32-35H,7-8H2,(H4,26,27,28,36,37,38,39)/p+1/t14-,15-,17-,18-,19-,20-,23-,24-/m1/s1
Definition date:	2021-06-23
Last modified:	2022-03-18
Release date:	2022-03-23
Identifier:	8-amino-2-[(2R,3R,4S,5R)-5-({[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]isoquinolin-2-ium (non-preferred name)

1OF

1OF
Name:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(8-oxidanylidene-7~{H}-2,7-naphthyridin-2-yl)oxolan-2-yl]methyl hydrogen phosphate
Formula:	C23 H28 N7 O14 P2
SMILES:	O=C1NC=Cc2cc[n+](cc21)C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O
InChi:	InChI=1S/C23H27N7O14P2/c24-19-14-20(27-8-26-19)30(9-28-14)23-18(34)16(32)13(43-23)7-41-46(38,39)44-45(36,37)40-6-12-15(31)17(33)22(42-12)29-4-2-10-1-3-25-21(35)11(10)5-29/h1-5,8-9,12-13,15-18,22-23,31-34H,6-7H2,(H4,24,26,27,36,37,38,39)/p+1/t12-,13-,15-,16-,17-,18-,22-,23-/m1/s1
Definition date:	2021-06-23
Last modified:	2022-03-18
Release date:	2022-03-23
Identifier:	2-[(2R,3R,4S,5R)-5-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-8-oxo-7,8-dihydro-2,7-naphthyridin-2-ium (non-preferred name)

1QD

1QD
Name:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(5-iodanylisoquinolin-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Formula:	C24 H28 I N6 O13 P2
SMILES:	Ic1cccc2c[n+](ccc21)C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O
InChi:	InChI=1S/C24H27IN6O13P2/c25-13-3-1-2-11-6-30(5-4-12(11)13)23-19(34)17(32)14(42-23)7-40-45(36,37)44-46(38,39)41-8-15-18(33)20(35)24(43-15)31-10-29-16-21(26)27-9-28-22(16)31/h1-6,9-10,14-15,17-20,23-24,32-35H,7-8H2,(H3-,26,27,28,36,37,38,39)/p+1/t14-,15-,17-,18-,19-,20-,23-,24-/m1/s1
Definition date:	2021-06-23
Last modified:	2022-03-18
Release date:	2022-03-23
Identifier:	2-[(2R,3R,4S,5R)-5-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-5-iodoisoquinolin-2-ium (non-preferred name)

LRZ

LRZ
Name:	methyl 6-[3-[[~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]propylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate
Formula:	C27 H32 N10 O7
SMILES:	COC(=O)c1cc(O)c2cc(NC(=O)NCCCNC(=N)NC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)ccc2c1
InChi:	InChI=1S/C27H32N10O7/c1-43-25(41)14-7-13-3-4-15(9-16(13)17(38)8-14)36-27(42)31-6-2-5-30-26(29)32-10-18-20(39)21(40)24(44-18)37-12-35-19-22(28)33-11-34-23(19)37/h3-4,7-9,11-12,18,20-21,24,38-40H,2,5-6,10H2,1H3,(H2,28,33,34)(H3,29,30,32)(H2,31,36,42)/t18-,20-,21-,24-/m1/s1
Definition date:	2019-09-03
Last modified:	2022-03-18
Release date:	2022-03-23
Identifier:	methyl 6-[3-[[~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]propylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate

LSK

LSK
Name:	methyl 6-[5-[[~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]pentylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate
Formula:	C29 H36 N10 O7
SMILES:	COC(=O)c1cc(O)c2cc(NC(=O)NCCCCCNC(=N)NC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)ccc2c1
InChi:	InChI=1S/C29H36N10O7/c1-45-27(43)16-9-15-5-6-17(11-18(15)19(40)10-16)38-29(44)33-8-4-2-3-7-32-28(31)34-12-20-22(41)23(42)26(46-20)39-14-37-21-24(30)35-13-36-25(21)39/h5-6,9-11,13-14,20,22-23,26,40-42H,2-4,7-8,12H2,1H3,(H2,30,35,36)(H3,31,32,34)(H2,33,38,44)/t20-,22-,23-,26-/m1/s1
Definition date:	2019-09-03
Last modified:	2022-03-18
Release date:	2022-03-23
Identifier:	methyl 6-[5-[[~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]pentylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate

4VZ

4VZ
Name:	(5~{Z})-5-[(3-ethoxy-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:	C12 H11 N O3 S2
SMILES:	CCOc1cc(ccc1O)C=C2SC(=S)NC2=O
InChi:	InChI=1S/C12H11NO3S2/c1-2-16-9-5-7(3-4-8(9)14)6-10-11(15)13-12(17)18-10/h3-6,14H,2H2,1H3,(H,13,15,17)/b10-6-
Definition date:	2021-08-06
Last modified:	2022-03-18
Release date:	2022-03-23
Identifier:	(5~{Z})-5-[(3-ethoxy-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

4WD

4WD
Name:	(5~{Z})-5-[(3-ethynyl-4-methoxy-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:	C13 H9 N O2 S2
SMILES:	COc1ccc(C=C2SC(=S)NC2=O)cc1C#C
InChi:	InChI=1S/C13H9NO2S2/c1-3-9-6-8(4-5-10(9)16-2)7-11-12(15)14-13(17)18-11/h1,4-7H,2H3,(H,14,15,17)/b11-7-
Definition date:	2021-08-06
Last modified:	2022-03-18
Release date:	2022-03-23
Identifier:	(5~{Z})-5-[(3-ethynyl-4-methoxy-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

B79

B79
Name:	(8R,9S,10S)-10-[(dimethylamino)methyl]-N-(4-methoxyphenyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
Formula:	C33 H38 N4 O2
SMILES:	COc1ccc(NC(=O)N2CCCCN3[CH](CN(C)C)[CH]([CH]3C2)c4ccc(cc4)C#Cc5ccccc5)cc1
InChi:	InChI=1S/C33H38N4O2/c1-35(2)23-30-32(27-15-13-26(14-16-27)12-11-25-9-5-4-6-10-25)31-24-36(21-7-8-22-37(30)31)33(38)34-28-17-19-29(39-3)20-18-28/h4-6,9-10,13-20,30-32H,7-8,21-24H2,1-3H3,(H,34,38)/t30-,31+,32+/m1/s1
Definition date:	2020-12-22
Last modified:	2022-03-18
Release date:	2022-03-23
Identifier:	(8~{R},9~{S},10~{S})-10-[(dimethylamino)methyl]-~{N}-(4-methoxyphenyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide

HVL

HVL
Name:	(3R,5R,6S,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-2,6,6-trimethyloxan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol
Formula:	C30 H52 O4
SMILES:	CC1(C)CCC[C](C)(O1)[CH]2CC[C]3(C)[CH]2[CH](O)C[CH]4[C]5(C)CC[CH](O)C(C)(C)[CH]5[CH](O)C[C]34C
InChi:	InChI=1S/C30H52O4/c1-25(2)12-9-13-30(8,34-25)18-10-15-28(6)23(18)19(31)16-21-27(5)14-11-22(33)26(3,4)24(27)20(32)17-29(21,28)7/h18-24,31-33H,9-17H2,1-8H3/t18-,19+,20-,21+,22+,23-,24-,27+,28+,29+,30+/m0/s1
Definition date:	2021-02-10
Last modified:	2022-03-18
Release date:	2022-03-23
Identifier:	(3~{R},5~{R},6~{S},8~{R},9~{R},10~{R},12~{R},13~{R},14~{R},17~{S})-4,4,8,10,14-pentamethyl-17-[(2~{R})-2,6,6-trimethyloxan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthrene-3,6,12-triol

7U2

7U2
Name:	(3'R)-N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methyl-5H,7H-spiro[pyrano[4,3-d]pyrimidine-8,3'-pyrrolidin]-2-amine
Formula:	C22 H27 F N4 O
SMILES:	Fc1ccccc1CN1CCC2(C1)COCc1c(C)nc(NCC3CC3)nc12
InChi:	InChI=1S/C22H27FN4O/c1-15-18-12-28-14-22(20(18)26-21(25-15)24-10-16-6-7-16)8-9-27(13-22)11-17-4-2-3-5-19(17)23/h2-5,16H,6-14H2,1H3,(H,24,25,26)/t22-/m0/s1
Definition date:	2021-08-20
Last modified:	2022-03-18
Release date:	2022-03-23
Identifier:	(3'R)-N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methyl-5H,7H-spiro[pyrano[4,3-d]pyrimidine-8,3'-pyrrolidin]-2-amine

7UB

7UB
Name:	(3'R)-2-[(cyclopropylmethyl)amino]-6-(4-methoxyphenyl)-1'-[(1H-pyrazol-5-yl)methyl]-5,6-dihydro-7H-spiro[pyrido[4,3-d]pyrimidine-8,3'-pyrrolidin]-7-one
Formula:	C25 H29 N7 O2
SMILES:	COc1ccc(cc1)N1Cc2cnc(NCC3CC3)nc2C2(CN(Cc3ccn[NH]3)CC2)C1=O
InChi:	InChI=1S/C25H29N7O2/c1-34-21-6-4-20(5-7-21)32-14-18-13-27-24(26-12-17-2-3-17)29-22(18)25(23(32)33)9-11-31(16-25)15-19-8-10-28-30-19/h4-8,10,13,17H,2-3,9,11-12,14-16H2,1H3,(H,28,30)(H,26,27,29)/t25-/m1/s1
Definition date:	2021-08-20
Last modified:	2022-03-18
Release date:	2022-03-23
Identifier:	(3'R)-2-[(cyclopropylmethyl)amino]-6-(4-methoxyphenyl)-1'-[(1H-pyrazol-5-yl)methyl]-5,6-dihydro-7H-spiro[pyrido[4,3-d]pyrimidine-8,3'-pyrrolidin]-7-one

7UI

7UI
Name:	8-(4-bromophenyl)-6-(4-methoxyphenyl)-2-[2,2,2-tris(fluoranyl)ethylamino]pyrido[4,3-d]pyrimidin-7-ol
Formula:	C22 H16 Br F3 N4 O2
SMILES:	FC(F)(F)CNC=1N=CC2=CN(C(=O)C(=C2N=1)c1ccc(Br)cc1)c1ccc(OC)cc1
InChi:	InChI=1S/C22H16BrF3N4O2/c1-32-17-8-6-16(7-9-17)30-11-14-10-27-21(28-12-22(24,25)26)29-19(14)18(20(30)31)13-2-4-15(23)5-3-13/h2-11H,12H2,1H3,(H,28,29)
Definition date:	2021-08-20
Last modified:	2022-03-18
Release date:	2022-03-23
Identifier:	8-(4-bromophenyl)-6-(4-methoxyphenyl)-2-[(2,2,2-trifluoroethyl)amino]pyrido[4,3-d]pyrimidin-7(6H)-one

7UN

7UN
Name:	(8R)-8-(4-chlorophenyl)-6-(2-methyl-2H-indazol-5-yl)-2-[(2,2,2-trifluoroethyl)amino]-5,8-dihydropyrido[4,3-d]pyrimidin-7(6H)-one
Formula:	C23 H16 Cl F3 N6 O
SMILES:	FC(F)(F)CNC=1N=CC2=CN(c3cc4cn(C)nc4cc3)C(=O)C(c3ccc(Cl)cc3)=C2N=1
InChi:	InChI=1S/C23H16ClF3N6O/c1-32-10-14-8-17(6-7-18(14)31-32)33-11-15-9-28-22(29-12-23(25,26)27)30-20(15)19(21(33)34)13-2-4-16(24)5-3-13/h2-11H,12H2,1H3,(H,29,30)
Definition date:	2021-08-20
Last modified:	2022-03-18
Release date:	2022-03-23
Identifier:	8-(4-chlorophenyl)-6-(2-methyl-2H-indazol-5-yl)-2-[(2,2,2-trifluoroethyl)amino]pyrido[4,3-d]pyrimidin-7(6H)-one

83B

83B
Name:	[(3S)-3,7-dimethyloct-6-enyl] phosphono hydrogen phosphate
Formula:	C10 H22 O7 P2
SMILES:	C[CH](CCO[P](O)(=O)O[P](O)(O)=O)CCC=C(C)C
InChi:	InChI=1S/C10H22O7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5,10H,4,6-8H2,1-3H3,(H,14,15)(H2,11,12,13)/t10-/m0/s1
Definition date:	2021-11-19
Last modified:	2022-03-18
Release date:	2022-03-23
Identifier:	[(3~{S})-3,7-dimethyloct-6-enyl] phosphono hydrogen phosphate

83Q

83Q
Name:	6-[4-(aminomethyl)-4-methyl-piperidin-1-yl]-3-[2,3-bis(chloranyl)phenyl]sulfanyl-pyrazin-2-amine
Formula:	C17 H21 Cl2 N5 S
SMILES:	CC1(CN)CCN(CC1)c2cnc(Sc3cccc(Cl)c3Cl)c(N)n2
InChi:	InChI=1S/C17H21Cl2N5S/c1-17(10-20)5-7-24(8-6-17)13-9-22-16(15(21)23-13)25-12-4-2-3-11(18)14(12)19/h2-4,9H,5-8,10,20H2,1H3,(H2,21,23)
Definition date:	2021-11-21
Last modified:	2022-03-18
Release date:	2022-03-23
Identifier:	6-[4-(aminomethyl)-4-methyl-piperidin-1-yl]-3-[2,3-bis(chloranyl)phenyl]sulfanyl-pyrazin-2-amine

8S6

8S6
Name:	(3R)-3-(oxaloamino)butanoic acid
Formula:	C6 H9 N O5
SMILES:	CC(NC(=O)C(=O)O)CC(=O)O
InChi:	InChI=1S/C6H9NO5/c1-3(2-4(8)9)7-5(10)6(11)12/h3H,2H2,1H3,(H,7,10)(H,8,9)(H,11,12)/t3-/m1/s1
Definition date:	2021-09-29
Last modified:	2022-03-18
Release date:	2022-03-23
Identifier:	(3R)-3-(oxaloamino)butanoic acid

S0Q

S0Q
Name:	2-(1-hydroxy-6-((2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl)carbamoyl)-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid
Formula:	C17 H20 B N3 O7
SMILES:	CN1CCN(CC1=O)C(=O)CNC(=O)c2ccc3[CH](CC(O)=O)OB(O)c3c2
InChi:	InChI=1S/C17H20BN3O7/c1-20-4-5-21(9-15(20)23)14(22)8-19-17(26)10-2-3-11-12(6-10)18(27)28-13(11)7-16(24)25/h2-3,6,13,27H,4-5,7-9H2,1H3,(H,19,26)(H,24,25)/t13-/m0/s1
Synonyms:	2-[(3S)-6-[[2-(4-methyl-3-oxidanylidene-piperazin-1-yl)-2-oxidanylidene-ethyl]carbamoyl]-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]ethanoic acid
Definition date:	2020-11-04
Last modified:	2022-03-16
Release date:	2021-08-11
Identifier:	2-[(3~{S})-6-[[2-(4-methyl-3-oxidanylidene-piperazin-1-yl)-2-oxidanylidene-ethyl]carbamoyl]-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]ethanoic acid

A1V

A1V
Name:	2,2'-(6-(2'-(aminomethyl)-[2,4'-bithiazol]-4-yl)pyridine-2,5-diyl)bis(thiazole-4-carboxylic acid)
Formula:	C20 H12 N6 O4 S4
SMILES:	c2(nc(c1nc(CN)sc1)sc2)c3c(ccc(n3)c4nc(cs4)C(=O)O)c5scc(C(O)=O)n5
InChi:	InChI=1S/C20H12N6O4S4/c21-3-14-22-11(5-31-14)18-24-10(4-33-18)15-8(16-25-12(6-32-16)19(27)28)1-2-9(23-15)17-26-13(7-34-17)20(29)30/h1-2,4-7H,3,21H2,(H,27,28)(H,29,30)
Definition date:	2017-07-05
Last modified:	2022-03-16
Release date:	2017-11-22
Identifier:	2,2'-{6-[2'-(aminomethyl)[2,4'-bi-1,3-thiazol]-4-yl]pyridine-2,5-diyl}di(1,3-thiazole-4-carboxylic acid)

9L3

9L3
Name:	[(2R,3S,5R)-5-(4-azanyl-5-methyl-pyrimidin-1-ium-1-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
Formula:	C10 H17 N3 O6 P
SMILES:	Cc1c[n+](cnc1N)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2
InChi:	InChI=1S/C10H16N3O6P/c1-6-3-13(5-12-10(6)11)9-2-7(14)8(19-9)4-18-20(15,16)17/h3,5,7-9,11,14H,2,4H2,1H3,(H2,15,16,17)/p+1/t7-,8+,9+/m0/s1
Definition date:	2018-05-22
Last modified:	2022-03-16
Release date:	2019-04-24
Identifier:	[(2~{R},3~{S},5~{R})-5-(4-azanyl-5-methyl-pyrimidin-1-ium-1-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate

LUB

LUB
Name:	4-(Hydroxymethyl)-2-propylfuran-3-carboxylic acid
Formula:	C9 H14 O4
SMILES:	CCC[CH]1OCC(=C1C(O)=O)CO
InChi:	InChI=1S/C9H14O4/c1-2-3-7-8(9(11)12)6(4-10)5-13-7/h7,10H,2-5H2,1H3,(H,11,12)/t7-/m0/s1
Definition date:	2019-09-06
Last modified:	2022-03-16
Release date:	2020-09-30
Identifier:	(2~{S})-4-(hydroxymethyl)-2-propyl-2,5-dihydrofuran-3-carboxylic acid

Z07

Z07
Name:	4-(trifluoromethyl)-1,3-benzothiazol-2-amine
Formula:	C8 H5 F3 N2 S
SMILES:	FC(F)(F)c1cccc2sc(N)nc12
InChi:	InChI=1S/C8H5F3N2S/c9-8(10,11)4-2-1-3-5-6(4)13-7(12)14-5/h1-3H,(H2,12,13)
Definition date:	2021-04-07
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	4-(trifluoromethyl)-1,3-benzothiazol-2-amine

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