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XUS

XUS
Name:	diethyl [(4-{(2S,3R)-4-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
Formula:	C33 H50 N3 O11 P S
SMILES:	C(C(Cc1ccc(cc1)OCP(OCC)(OCC)=O)NC(OC2C3C(OC2)OCC3)=O)(CN(CC(C)CC)S(c4ccc(cc4)N)(=O)=O)O
InChi:	InChI=1S/C33H50N3O11PS/c1-5-23(4)19-36(49(40,41)27-14-10-25(34)11-15-27)20-30(37)29(35-33(38)47-31-21-43-32-28(31)16-17-42-32)18-24-8-12-26(13-9-24)44-22-48(39,45-6-2)46-7-3/h8-15,23,28-32,37H,5-7,16-22,34H2,1-4H3,(H,35,38)/t23-,28-,29-,30+,31-,32+/m0/s1
Definition date:	2021-01-14
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	diethyl [(4-{(2S,3R)-4-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate

XUV

XUV
Name:	diethyl ({4-[(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}butyl]phenoxy}methyl)phosphonate
Formula:	C34 H51 N2 O12 P S
SMILES:	C(C(Cc1ccc(cc1)OCP(OCC)(OCC)=O)NC(OC2C3C(OC2)OCC3)=O)(CN(CC(C)CC)S(c4ccc(cc4)OC)(=O)=O)O
InChi:	InChI=1S/C34H51N2O12PS/c1-6-24(4)20-36(50(40,41)28-15-13-26(42-5)14-16-28)21-31(37)30(35-34(38)48-32-22-44-33-29(32)17-18-43-33)19-25-9-11-27(12-10-25)45-23-49(39,46-7-2)47-8-3/h9-16,24,29-33,37H,6-8,17-23H2,1-5H3,(H,35,38)/t24-,29-,30-,31+,32-,33+/m0/s1
Definition date:	2021-01-14
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	diethyl ({4-[(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}butyl]phenoxy}methyl)phosphonate

XVJ

XVJ
Name:	diethyl [(4-{(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl][(2S)-2-methylbutyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
Formula:	C34 H48 N3 O11 P S2
SMILES:	C(Cc1ccc(OCP(OCC)(OCC)=O)cc1)(NC(OC2COC3C2CCO3)=O)C(CN(CC(C)CC)S(c4cc5c(cc4)ncs5)(=O)=O)O
InChi:	InChI=1S/C34H48N3O11PS2/c1-5-23(4)18-37(51(41,42)26-12-13-28-32(17-26)50-21-35-28)19-30(38)29(36-34(39)48-31-20-44-33-27(31)14-15-43-33)16-24-8-10-25(11-9-24)45-22-49(40,46-6-2)47-7-3/h8-13,17,21,23,27,29-31,33,38H,5-7,14-16,18-20,22H2,1-4H3,(H,36,39)/t23-,27-,29-,30+,31-,33+/m0/s1
Definition date:	2021-01-15
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	diethyl [(4-{(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl][(2S)-2-methylbutyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate

XVM

XVM
Name:	diethyl [(4-{(2S,3R)-4-{[(2H-1,3-benzodioxol-5-yl)sulfonyl][(2S)-2-methylbutyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
Formula:	C34 H49 N2 O13 P S
SMILES:	C(C(Cc1ccc(cc1)OCP(OCC)(OCC)=O)NC(OC2C3C(OC2)OCC3)=O)(CN(CC(C)CC)S(c4cc5c(cc4)OCO5)(=O)=O)O
InChi:	InChI=1S/C34H49N2O13PS/c1-5-23(4)18-36(51(40,41)26-12-13-30-31(17-26)45-21-44-30)19-29(37)28(35-34(38)49-32-20-43-33-27(32)14-15-42-33)16-24-8-10-25(11-9-24)46-22-50(39,47-6-2)48-7-3/h8-13,17,23,27-29,32-33,37H,5-7,14-16,18-22H2,1-4H3,(H,35,38)/t23-,27-,28-,29+,32-,33+/m0/s1
Definition date:	2021-01-15
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	diethyl [(4-{(2S,3R)-4-{[(2H-1,3-benzodioxol-5-yl)sulfonyl][(2S)-2-methylbutyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate

XVP

XVP
Name:	diethyl ({4-[(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2S)-2-methylbutyl]amino)butyl]phenoxy}methyl)phosphonate
Formula:	C34 H51 N2 O12 P S
SMILES:	C(C(Cc1ccc(cc1)OCP(OCC)(OCC)=O)NC(OC2C3C(OC2)OCC3)=O)(CN(CC(C)CC)S(c4ccc(cc4)CO)(=O)=O)O
InChi:	InChI=1S/C34H51N2O12PS/c1-5-24(4)19-36(50(41,42)28-14-10-26(21-37)11-15-28)20-31(38)30(35-34(39)48-32-22-44-33-29(32)16-17-43-33)18-25-8-12-27(13-9-25)45-23-49(40,46-6-2)47-7-3/h8-15,24,29-33,37-38H,5-7,16-23H2,1-4H3,(H,35,39)/t24-,29-,30-,31+,32-,33+/m0/s1
Definition date:	2021-01-15
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	diethyl ({4-[(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2S)-2-methylbutyl]amino)butyl]phenoxy}methyl)phosphonate

XVS

XVS
Name:	diethyl [(4-{(2S,3R)-4-{(2-ethylbutyl)[(4-methoxyphenyl)sulfonyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
Formula:	C35 H53 N2 O12 P S
SMILES:	C(C(Cc1ccc(cc1)OCP(OCC)(OCC)=O)NC(OC2C3C(OC2)OCC3)=O)(CN(CC(CC)CC)S(c4ccc(cc4)OC)(=O)=O)O
InChi:	InChI=1S/C35H53N2O12PS/c1-6-25(7-2)21-37(51(41,42)29-16-14-27(43-5)15-17-29)22-32(38)31(36-35(39)49-33-23-45-34-30(33)18-19-44-34)20-26-10-12-28(13-11-26)46-24-50(40,47-8-3)48-9-4/h10-17,25,30-34,38H,6-9,18-24H2,1-5H3,(H,36,39)/t30-,31-,32+,33-,34+/m0/s1
Definition date:	2021-01-15
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	diethyl [(4-{(2S,3R)-4-{(2-ethylbutyl)[(4-methoxyphenyl)sulfonyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate

XVV

XVV
Name:	diethyl [(4-{(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
Formula:	C35 H50 N3 O11 P S2
SMILES:	C(C(Cc1ccc(cc1)OCP(OCC)(OCC)=O)NC(OC2C3C(OC2)OCC3)=O)(CN(CC(CC)CC)S(c4cc5c(cc4)ncs5)(=O)=O)O
InChi:	InChI=1S/C35H50N3O11PS2/c1-5-24(6-2)19-38(52(42,43)27-13-14-29-33(18-27)51-22-36-29)20-31(39)30(37-35(40)49-32-21-45-34-28(32)15-16-44-34)17-25-9-11-26(12-10-25)46-23-50(41,47-7-3)48-8-4/h9-14,18,22,24,28,30-32,34,39H,5-8,15-17,19-21,23H2,1-4H3,(H,37,40)/t28-,30-,31+,32-,34+/m0/s1
Definition date:	2021-01-15
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	diethyl [(4-{(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate

XVY

XVY
Name:	diethyl [(4-{(2S,3R)-4-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
Formula:	C35 H53 N2 O12 P S
SMILES:	C(C(NC(OC1C2C(OC1)OCC2)=O)Cc3ccc(OCP(OCC)(OCC)=O)cc3)(CN(CC(CC)CC)S(c4ccc(cc4)CO)(=O)=O)O
InChi:	InChI=1S/C35H53N2O12PS/c1-5-25(6-2)20-37(51(42,43)29-15-11-27(22-38)12-16-29)21-32(39)31(36-35(40)49-33-23-45-34-30(33)17-18-44-34)19-26-9-13-28(14-10-26)46-24-50(41,47-7-3)48-8-4/h9-16,25,30-34,38-39H,5-8,17-24H2,1-4H3,(H,36,40)/t30-,31-,32+,33-,34+/m0/s1
Definition date:	2021-01-15
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	diethyl [(4-{(2S,3R)-4-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate

XW4

XW4
Name:	diethyl [(4-{(2S,3R)-4-{[(2H-1,3-benzodioxol-5-yl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
Formula:	C35 H51 N2 O13 P S
SMILES:	C(C(Cc1ccc(cc1)OCP(OCC)(OCC)=O)NC(=O)OC2COC3C2CCO3)(CN(CC(CC)CC)S(c4cc5c(cc4)OCO5)(=O)=O)O
InChi:	InChI=1S/C35H51N2O13PS/c1-5-24(6-2)19-37(52(41,42)27-13-14-31-32(18-27)46-22-45-31)20-30(38)29(36-35(39)50-33-21-44-34-28(33)15-16-43-34)17-25-9-11-26(12-10-25)47-23-51(40,48-7-3)49-8-4/h9-14,18,24,28-30,33-34,38H,5-8,15-17,19-23H2,1-4H3,(H,36,39)/t28-,29-,30+,33-,34+/m0/s1
Definition date:	2021-01-15
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	diethyl [(4-{(2S,3R)-4-{[(2H-1,3-benzodioxol-5-yl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate

81X

81X
Name:	4-(aminomethyl)phthalazin-1(2H)-one
Formula:	C9 H9 N3 O
SMILES:	O=C1NN=C(CN)c2ccccc12
InChi:	InChI=1S/C9H9N3O/c10-5-8-6-3-1-2-4-7(6)9(13)12-11-8/h1-4H,5,10H2,(H,12,13)
Definition date:	2021-09-02
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	4-(aminomethyl)phthalazin-1(2H)-one

84W

84W
Name:	[7-(1-methyl-1H-pyrazol-4-yl)-4-oxo-3,4-dihydrophthalazin-1-yl]methanaminium
Formula:	C13 H14 N5 O
SMILES:	Cn1cc(cn1)c1ccc2C(=O)NN=C(C[NH3+])c2c1
InChi:	InChI=1S/C13H13N5O/c1-18-7-9(6-15-18)8-2-3-10-11(4-8)12(5-14)16-17-13(10)19/h2-4,6-7H,5,14H2,1H3,(H,17,19)/p+1
Definition date:	2021-09-04
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	[7-(1-methyl-1H-pyrazol-4-yl)-4-oxo-3,4-dihydrophthalazin-1-yl]methanaminium

85E

85E
Name:	{7-[(5M)-5-(1-cyano-3-fluoronaphthalen-2-yl)-1-methyl-1H-pyrazol-4-yl]-4-oxo-3,4-dihydrophthalazin-1-yl}methanaminium
Formula:	C24 H18 F N6 O
SMILES:	N#Cc1c2ccccc2cc(F)c1c1n(C)ncc1c1ccc2C(=O)NN=C(C[NH3+])c2c1
InChi:	InChI=1S/C24H17FN6O/c1-31-23(22-18(10-26)15-5-3-2-4-13(15)9-20(22)25)19(12-28-31)14-6-7-16-17(8-14)21(11-27)29-30-24(16)32/h2-9,12H,11,27H2,1H3,(H,30,32)/p+1
Definition date:	2021-09-04
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	{7-[(5M)-5-(1-cyano-3-fluoronaphthalen-2-yl)-1-methyl-1H-pyrazol-4-yl]-4-oxo-3,4-dihydrophthalazin-1-yl}methanaminium

85K

85K
Name:	(7-{(5M)-5-[3-chloro-6-cyano-5-(cyclopropyloxy)-2-fluorophenyl]-1-methyl-1H-pyrazol-4-yl}-4-oxo-3,4-dihydrophthalazin-1-yl)methanaminium
Formula:	C23 H19 Cl F N6 O2
SMILES:	N#Cc1c(OC2CC2)cc(Cl)c(F)c1c1n(C)ncc1c1ccc2C(=O)NN=C(C[NH3+])c2c1
InChi:	InChI=1S/C23H18ClFN6O2/c1-31-22(20-15(8-26)19(33-12-3-4-12)7-17(24)21(20)25)16(10-28-31)11-2-5-13-14(6-11)18(9-27)29-30-23(13)32/h2,5-7,10,12H,3-4,9,27H2,1H3,(H,30,32)/p+1
Definition date:	2021-09-04
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	(7-{(5M)-5-[3-chloro-6-cyano-5-(cyclopropyloxy)-2-fluorophenyl]-1-methyl-1H-pyrazol-4-yl}-4-oxo-3,4-dihydrophthalazin-1-yl)methanaminium

62S

62S
Name:	[(2~{S})-3-[[(2~{S})-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-[[3-(2-hydroxyphenyl)-1,2-oxazol-5-yl]methyl]-3-oxidanylidene-propyl]-[(1~{R})-1-azanyl-3-phenyl-propyl]phosphinic acid
Formula:	C31 H35 N4 O6 P
SMILES:	N[CH](CCc1ccccc1)[P](O)(=O)C[CH](Cc2onc(c2)c3ccccc3O)C(=O)N[CH](Cc4ccccc4)C(N)=O
InChi:	InChI=1S/C31H35N4O6P/c32-29(16-15-21-9-3-1-4-10-21)42(39,40)20-23(18-24-19-26(35-41-24)25-13-7-8-14-28(25)36)31(38)34-27(30(33)37)17-22-11-5-2-6-12-22/h1-14,19,23,27,29,36H,15-18,20,32H2,(H2,33,37)(H,34,38)(H,39,40)/t23-,27+,29-/m1/s1
Definition date:	2021-07-23
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	[(2~{S})-3-[[(2~{S})-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-[[3-(2-hydroxyphenyl)-1,2-oxazol-5-yl]methyl]-3-oxidanylidene-propyl]-[(1~{R})-1-azanyl-3-phenyl-propyl]phosphinic acid

674

674
Name:	6,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
Formula:	C15 H10 O5
SMILES:	O=C1c3c(OC=C1c2ccc(O)cc2)cc(O)c(O)c3
InChi:	InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-14-6-13(18)12(17)5-10(14)15(11)19/h1-7,16-18H
Definition date:	2007-08-28
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	6,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one

7OO

7OO
Name:	[(2~{S})-3-[[(2~{S})-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-[(3,5-diphenylphenyl)methyl]-3-oxidanylidene-propyl]-[(1~{R})-1-azanyl-3-phenyl-propyl]phosphinic acid
Formula:	C37 H44 N3 O4 P
SMILES:	CC(C)C[CH](NC(=O)[CH](Cc1cc(cc(c1)c2ccccc2)c3ccccc3)C[P](O)(=O)[CH](N)CCc4ccccc4)C(N)=O
InChi:	InChI=1S/C37H44N3O4P/c1-26(2)20-34(36(39)41)40-37(42)33(25-45(43,44)35(38)19-18-27-12-6-3-7-13-27)23-28-21-31(29-14-8-4-9-15-29)24-32(22-28)30-16-10-5-11-17-30/h3-17,21-22,24,26,33-35H,18-20,23,25,38H2,1-2H3,(H2,39,41)(H,40,42)(H,43,44)/t33-,34+,35-/m1/s1
Definition date:	2021-08-12
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	[(2~{S})-3-[[(2~{S})-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-[(3,5-diphenylphenyl)methyl]-3-oxidanylidene-propyl]-[(1~{R})-1-azanyl-3-phenyl-propyl]phosphinic acid

EY3

EY3
Name:	5-propan-2-yloxy-1H-indole
Formula:	C11 H13 N O
SMILES:	CC(C)Oc1ccc2[nH]ccc2c1
InChi:	InChI=1S/C11H13NO/c1-8(2)13-10-3-4-11-9(7-10)5-6-12-11/h3-8,12H,1-2H3
Definition date:	2020-02-18
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	5-propan-2-yloxy-1~{H}-indole

97L

97L
Name:	(2M)-2-{4-[4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl]-1-methyl-1H-pyrazol-5-yl}-1-benzothiophene-3-carbonitrile
Formula:	C22 H16 N6 O S
SMILES:	O=C1NN=C(CN)c2cc(ccc12)c1cnn(C)c1c1sc2ccccc2c1C#N
InChi:	InChI=1S/C22H16N6OS/c1-28-20(21-16(9-23)13-4-2-3-5-19(13)30-21)17(11-25-28)12-6-7-14-15(8-12)18(10-24)26-27-22(14)29/h2-8,11H,10,24H2,1H3,(H,27,29)
Definition date:	2021-10-05
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	(2M)-2-{4-[4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl]-1-methyl-1H-pyrazol-5-yl}-1-benzothiophene-3-carbonitrile

97X

97X
Name:	(2P)-2-{4-[4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl]-1-methyl-1H-pyrazol-5-yl}naphthalene-1-carbonitrile
Formula:	C24 H18 N6 O
SMILES:	N#Cc1c2ccccc2ccc1c1n(C)ncc1c1ccc2C(=O)NN=C(CN)c2c1
InChi:	InChI=1S/C24H18N6O/c1-30-23(17-8-6-14-4-2-3-5-16(14)20(17)11-25)21(13-27-30)15-7-9-18-19(10-15)22(12-26)28-29-24(18)31/h2-10,13H,12,26H2,1H3,(H,29,31)
Definition date:	2021-10-05
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	(2P)-2-{4-[4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl]-1-methyl-1H-pyrazol-5-yl}naphthalene-1-carbonitrile

HJO

HJO
Name:	N-[(1R,2R,3R,4S,5S)-4-[(2R,3R,6S)-6-(aminomethyl)-3-azanyl-oxan-2-yl]oxy-5-azanyl-2-[(2R,3R,4R)-5-methyl-4-(methylamino)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]ethanamide
Formula:	C21 H41 N5 O8
SMILES:	CN[CH]1[CH](O)[CH](OC[C]1(C)O)O[CH]2[CH](O)[CH](O[CH]3O[CH](CN)CC[CH]3N)[CH](N)C[CH]2NC(C)=O
InChi:	InChI=1S/C21H41N5O8/c1-9(27)26-13-6-12(24)16(33-19-11(23)5-4-10(7-22)32-19)14(28)17(13)34-20-15(29)18(25-3)21(2,30)8-31-20/h10-20,25,28-30H,4-8,22-24H2,1-3H3,(H,26,27)/t10-,11+,12-,13+,14+,15+,16-,17+,18+,19+,20+,21-/m0/s1
Definition date:	2021-01-15
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	~{N}-[(1~{R},2~{R},3~{R},4~{S},5~{S})-4-[(2~{R},3~{R},6~{S})-6-(aminomethyl)-3-azanyl-oxan-2-yl]oxy-5-azanyl-2-[(2~{R},3~{R},4~{R})-5-methyl-4-(methylamino)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]ethanamide

HOU

HOU
Name:	2-[[3-[[5-(2-methyl-3-phenyl-phenyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]methylamino]ethanol
Formula:	C24 H24 N4 O2
SMILES:	Cc1c(cccc1c2oc(Nc3cccc(CNCCO)c3)nn2)c4ccccc4
InChi:	InChI=1S/C24H24N4O2/c1-17-21(19-8-3-2-4-9-19)11-6-12-22(17)23-27-28-24(30-23)26-20-10-5-7-18(15-20)16-25-13-14-29/h2-12,15,25,29H,13-14,16H2,1H3,(H,26,28)
Definition date:	2021-01-26
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	2-[[3-[[5-(2-methyl-3-phenyl-phenyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]methylamino]ethanol

HQ0

HQ0
Name:	1-but-3-enyl-5-methyl-imidazole-2-carboxylic acid
Formula:	C9 H12 N2 O2
SMILES:	Cc1cnc(n1CCC=C)C(O)=O
InChi:	InChI=1S/C9H12N2O2/c1-3-4-5-11-7(2)6-10-8(11)9(12)13/h3,6H,1,4-5H2,2H3,(H,12,13)
Definition date:	2021-01-26
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	1-but-3-enyl-5-methyl-imidazole-2-carboxylic acid

HQ3

HQ3
Name:	5-methyl-1-(phenylmethyl)imidazole-2-carboxylic acid
Formula:	C12 H12 N2 O2
SMILES:	Cc1cnc(n1Cc2ccccc2)C(O)=O
InChi:	InChI=1S/C12H12N2O2/c1-9-7-13-11(12(15)16)14(9)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,16)
Definition date:	2021-01-27
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	5-methyl-1-(phenylmethyl)imidazole-2-carboxylic acid

HQF

HQF
Name:	1-[(2-azanyl-1,3-benzothiazol-6-yl)methyl]imidazole-2-carboxylic acid
Formula:	C12 H10 N4 O2 S
SMILES:	Nc1sc2cc(Cn3ccnc3C(O)=O)ccc2n1
InChi:	InChI=1S/C12H10N4O2S/c13-12-15-8-2-1-7(5-9(8)19-12)6-16-4-3-14-10(16)11(17)18/h1-5H,6H2,(H2,13,15)(H,17,18)
Definition date:	2021-01-27
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	1-[(2-azanyl-1,3-benzothiazol-6-yl)methyl]imidazole-2-carboxylic acid

HQR

HQR
Name:	1-but-3-enyl-4-methyl-imidazole-2-carboxylic acid
Formula:	C9 H12 N2 O2
SMILES:	Cc1cn(CCC=C)c(n1)C(O)=O
InChi:	InChI=1S/C9H12N2O2/c1-3-4-5-11-6-7(2)10-8(11)9(12)13/h3,6H,1,4-5H2,2H3,(H,12,13)
Definition date:	2021-01-27
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	1-but-3-enyl-4-methyl-imidazole-2-carboxylic acid

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