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LZV

LZV
Name:	ethyl (6~{R})-3-oxidanylidenespiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclopentane]-6-carboxylate
Formula:	C13 H20 N2 O3
SMILES:	CCOC(=O)[CH]1CN2N(CCC2=O)C13CCCC3
InChi:	InChI=1S/C13H20N2O3/c1-2-18-12(17)10-9-14-11(16)5-8-15(14)13(10)6-3-4-7-13/h10H,2-9H2,1H3/t10-/m0/s1
Definition date:	2019-03-15
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	ethyl (6~{R})-3-oxidanylidenespiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclopentane]-6-carboxylate

O81

O81
Name:	(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate
Formula:	C6 H19 O27 P7
SMILES:	OP(OP(OC1C(C(C(C(OP(O)(O)=O)C1OP(O)(O)=O)OP(O)(O)=O)OP(O)(O)=O)OP(O)(O)=O)(O)=O)(O)=O
InChi:	InChI=1S/C6H19O27P7/c7-34(8,9)27-1-2(28-35(10,11)12)4(30-37(16,17)18)6(32-40(25,26)33-39(22,23)24)5(31-38(19,20)21)3(1)29-36(13,14)15/h1-6H,(H,25,26)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3+,4-,5-,6-/m1/s1
Definition date:	2019-06-18
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate

EVU

EVU
Name:	4-[2-[4-(aminomethyl)phenyl]phenyl]piperazin-2-one
Formula:	C17 H19 N3 O
SMILES:	NCc1ccc(cc1)c2ccccc2N3CCNC(=O)C3
InChi:	InChI=1S/C17H19N3O/c18-11-13-5-7-14(8-6-13)15-3-1-2-4-16(15)20-10-9-19-17(21)12-20/h1-8H,9-12,18H2,(H,19,21)
Definition date:	2020-02-06
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	4-[2-[4-(aminomethyl)phenyl]phenyl]piperazin-2-one

OJ5

OJ5
Name:	4-[5-(3-chlorophenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
Formula:	C16 H15 Cl N4 O
SMILES:	Clc1cccc(c1)c2c[nH]c3ncnc(N4CCOCC4)c23
InChi:	InChI=1S/C16H15ClN4O/c17-12-3-1-2-11(8-12)13-9-18-15-14(13)16(20-10-19-15)21-4-6-22-7-5-21/h1-3,8-10H,4-7H2,(H,18,19,20)
Definition date:	2020-03-13
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	4-[5-(3-chlorophenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine

OKN

OKN
Name:	5'-methyl-2'-deoxycytidine-5'-phosphorothioate
Formula:	C10 H16 N3 O6 P S
SMILES:	CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(S)=O)O2)C(=O)N=C1N
InChi:	InChI=1S/C10H16N3O6PS/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(19-8)4-18-20(16,17)21/h3,6-8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,21)/t6-,7+,8+/m0/s1
Definition date:	2020-03-19
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	[(2~{R},3~{S},5~{R})-5-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphinic acid

OKQ

OKQ
Name:	2'-O-methylcytidine-5'-phosphorothioate
Formula:	C10 H16 N3 O7 P S
SMILES:	CO[CH]1[CH](O)[CH](CO[P](O)(S)=O)O[CH]1N2C=CC(=NC2=O)N
InChi:	InChI=1S/C10H16N3O7PS/c1-18-8-7(14)5(4-19-21(16,17)22)20-9(8)13-3-2-6(11)12-10(13)15/h2-3,5,7-9,14H,4H2,1H3,(H2,11,12,15)(H2,16,17,22)/t5-,7-,8-,9-/m1/s1
Definition date:	2020-03-19
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	[(2~{R},3~{R},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphinic acid

OKT

OKT
Name:	2'-O-methyluridine-5'-phosphorothioate
Formula:	C10 H15 N2 O8 P S
SMILES:	CO[CH]1[CH](O)[CH](CO[P](O)(S)=O)O[CH]1N2C=CC(=O)NC2=O
InChi:	InChI=1S/C10H15N2O8PS/c1-18-8-7(14)5(4-19-21(16,17)22)20-9(8)12-3-2-6(13)11-10(12)15/h2-3,5,7-9,14H,4H2,1H3,(H,11,13,15)(H2,16,17,22)/t5-,7-,8-,9-/m1/s1
Definition date:	2020-03-19
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	[(2~{R},3~{R},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-methoxy-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphinic acid

OSD

OSD
Name:	7-{3-(aminomethyl)-4-[(propan-2-yl)oxy]phenyl}-4-methylquinolin-2-amine
Formula:	C20 H23 N3 O
SMILES:	c1(N)nc2c(c(c1)C)ccc(c2)c3cc(c(cc3)OC(C)C)CN
InChi:	InChI=1S/C20H23N3O/c1-12(2)24-19-7-5-14(9-16(19)11-21)15-4-6-17-13(3)8-20(22)23-18(17)10-15/h4-10,12H,11,21H2,1-3H3,(H2,22,23)
Definition date:	2019-07-03
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	7-{3-(aminomethyl)-4-[(propan-2-yl)oxy]phenyl}-4-methylquinolin-2-amine

OSG

OSG
Name:	7-[3-(aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine
Formula:	C20 H23 N3 O
SMILES:	c21nc(N)cc(c1ccc(c2)c3ccc(OCCC)c(c3)CN)C
InChi:	InChI=1S/C20H23N3O/c1-3-8-24-19-7-5-14(10-16(19)12-21)15-4-6-17-13(2)9-20(22)23-18(17)11-15/h4-7,9-11H,3,8,12,21H2,1-2H3,(H2,22,23)
Definition date:	2019-07-03
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	7-[3-(aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine

OSJ

OSJ
Name:	7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine
Formula:	C19 H21 N3 O
SMILES:	NCc1cc(ccc1OCC)c2ccc3c(c2)nc(cc3C)N
InChi:	InChI=1S/C19H21N3O/c1-3-23-18-7-5-13(9-15(18)11-20)14-4-6-16-12(2)8-19(21)22-17(16)10-14/h4-10H,3,11,20H2,1-2H3,(H2,21,22)
Definition date:	2019-07-03
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine

OU4

OU4
Name:	7-{3-(aminomethyl)-4-[(1,3-oxazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine
Formula:	C21 H20 N4 O2
SMILES:	c1(N)nc2c(c(c1)C)ccc(c2)c4ccc(OCc3ncoc3)c(CN)c4
InChi:	InChI=1S/C21H20N4O2/c1-13-6-21(23)25-19-8-15(2-4-18(13)19)14-3-5-20(16(7-14)9-22)27-11-17-10-26-12-24-17/h2-8,10,12H,9,11,22H2,1H3,(H2,23,25)
Definition date:	2019-07-03
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	7-{3-(aminomethyl)-4-[(1,3-oxazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine

OU7

OU7
Name:	7-{3-(aminomethyl)-4-[(1,3-thiazol-5-yl)methoxy]phenyl}-4-methylquinolin-2-amine
Formula:	C21 H20 N4 O S
SMILES:	c21nc(N)cc(c1ccc(c2)c4ccc(OCc3cncs3)c(CN)c4)C
InChi:	InChI=1S/C21H20N4OS/c1-13-6-21(23)25-19-8-15(2-4-18(13)19)14-3-5-20(16(7-14)9-22)26-11-17-10-24-12-27-17/h2-8,10,12H,9,11,22H2,1H3,(H2,23,25)
Definition date:	2019-07-03
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	7-{3-(aminomethyl)-4-[(1,3-thiazol-5-yl)methoxy]phenyl}-4-methylquinolin-2-amine

OUJ

OUJ
Name:	7-{3-(aminomethyl)-4-[(1,3-thiazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine
Formula:	C21 H20 N4 O S
SMILES:	c1c(cc(CN)c(c1)OCc2cscn2)c4ccc3c(cc(nc3c4)N)C
InChi:	InChI=1S/C21H20N4OS/c1-13-6-21(23)25-19-8-15(2-4-18(13)19)14-3-5-20(16(7-14)9-22)26-10-17-11-27-12-24-17/h2-8,11-12H,9-10,22H2,1H3,(H2,23,25)
Definition date:	2019-07-05
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	7-{3-(aminomethyl)-4-[(1,3-thiazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine

P3E

P3E
Name:	[[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-7-[(3-methylphenyl)methyl]-6-oxidanylidene-1~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate
Formula:	C28 H36 N10 O18 P3
SMILES:	Cc1cccc(Cn2c[n+]([CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6C(=O)NC(=Nc56)N)[CH](O)[CH]3O)c7N=C(N)NC(=O)c27)c1
InChi:	InChI=1S/C28H35N10O18P3/c1-11-3-2-4-12(5-11)6-36-10-38(22-16(36)24(44)35-28(30)33-22)26-20(42)18(40)14(54-26)8-52-58(47,48)56-59(49,50)55-57(45,46)51-7-13-17(39)19(41)25(53-13)37-9-31-15-21(37)32-27(29)34-23(15)43/h2-5,9-10,13-14,17-20,25-26,39-42H,6-8H2,1H3,(H8-,29,30,32,33,34,35,43,44,45,46,47,48,49,50)/p+1/t13-,14-,17-,18-,19-,20-,25-,26-/m1/s1
Definition date:	2020-04-14
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-7-[(3-methylphenyl)methyl]-6-oxidanylidene-1~{H}-purin-9-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate

P8G

P8G
Name:	(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[4-[[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[4-[[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-methoxy-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]-1,2,3-triazol-1-yl]-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]-1,2,3-triazol-1-yl]oxane-3,4,5-triol
Formula:	C25 H40 N6 O16
SMILES:	CO[CH]1O[CH](CO)[CH](O)[CH](OCc2cn(nn2)[CH]3O[CH](CO)[CH](O)[CH](OCc4cn(nn4)[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5O)[CH]3O)[CH]1O
InChi:	InChI=1S/C25H40N6O16/c1-42-25-20(41)22(16(37)13(6-34)47-25)44-8-10-3-31(29-27-10)24-19(40)21(15(36)12(5-33)46-24)43-7-9-2-30(28-26-9)23-18(39)17(38)14(35)11(4-32)45-23/h2-3,11-25,32-41H,4-8H2,1H3/t11-,12-,13-,14+,15+,16+,17+,18-,19-,20-,21+,22+,23-,24-,25-/m1/s1
Definition date:	2019-08-06
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[4-[[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[4-[[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-methoxy-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]-1,2,3-triazol-1-yl]-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]-1,2,3-triazol-1-yl]oxane-3,4,5-triol

P8J

P8J
Name:	methyl 3-O-[(1-beta-D-galactopyranosyl-1H-1,2,3-triazol-4-yl)methyl]-beta-D-galactopyranoside
Formula:	C16 H27 N3 O11
SMILES:	c2c(COC1C(C(OC)OC(CO)C1O)O)nnn2C3C(C(C(C(CO)O3)O)O)O
InChi:	InChI=1S/C16H27N3O11/c1-27-16-13(26)14(10(23)8(4-21)30-16)28-5-6-2-19(18-17-6)15-12(25)11(24)9(22)7(3-20)29-15/h2,7-16,20-26H,3-5H2,1H3/t7-,8-,9+,10+,11+,12-,13-,14+,15-,16-/m1/s1
Definition date:	2019-08-06
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	methyl 3-O-[(1-beta-D-galactopyranosyl-1H-1,2,3-triazol-4-yl)methyl]-beta-D-galactopyranoside

S3J

S3J
Name:	2-(4-phenylpiperidin-1-yl)ethanoic acid
Formula:	C13 H17 N O2
SMILES:	OC(=O)CN1CCC(CC1)c2ccccc2
InChi:	InChI=1S/C13H17NO2/c15-13(16)10-14-8-6-12(7-9-14)11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,16)
Definition date:	2020-03-04
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	2-(4-phenylpiperidin-1-yl)ethanoic acid

S3M

S3M
Name:	(1-methyl-5-phenyl-pyrazol-3-yl)methanol
Formula:	C11 H12 N2 O
SMILES:	Cn1nc(CO)cc1c2ccccc2
InChi:	InChI=1S/C11H12N2O/c1-13-11(7-10(8-14)12-13)9-5-3-2-4-6-9/h2-7,14H,8H2,1H3
Definition date:	2020-03-04
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	(1-methyl-5-phenyl-pyrazol-3-yl)methanol

S3V

S3V
Name:	pyridine-4-carboxylic acid
Formula:	C6 H5 N O2
SMILES:	OC(=O)c1ccncc1
InChi:	InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)
Definition date:	2020-03-04
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	pyridine-4-carboxylic acid

Q47

Q47
Name:	3-bromo dicyclotyrosine
Formula:	C18 H17 Br N2 O4
SMILES:	Oc1ccc(C[CH]2NC(=O)[CH](Cc3ccc(O)c(Br)c3)NC2=O)cc1
InChi:	InChI=1S/C18H17BrN2O4/c19-13-7-11(3-6-16(13)23)9-15-18(25)20-14(17(24)21-15)8-10-1-4-12(22)5-2-10/h1-7,14-15,22-23H,8-9H2,(H,20,25)(H,21,24)/t14-,15-/m0/s1
Definition date:	2019-05-15
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	(3~{S},6~{S})-3-[(3-bromanyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione

S3Y

S3Y
Name:	[(4S)-1-(4-chlorophenyl)-1,2,3-triazolidin-4-yl]methanol
Formula:	C9 H12 Cl N3 O
SMILES:	C(O)C1NNN(C1)c2ccc(cc2)Cl
InChi:	InChI=1S/C9H12ClN3O/c10-7-1-3-9(4-2-7)13-5-8(6-14)11-12-13/h1-4,8,11-12,14H,5-6H2
Definition date:	2020-03-04
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	[(4S)-1-(4-chlorophenyl)-1,2,3-triazolidin-4-yl]methanol

S4D

S4D
Name:	(1R,3S)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methylcyclopentan-1-amine
Formula:	C14 H19 N O2
SMILES:	c1cc(cc2c1OCO2)CNC3CC(C)CC3
InChi:	InChI=1S/C14H19NO2/c1-10-2-4-12(6-10)15-8-11-3-5-13-14(7-11)17-9-16-13/h3,5,7,10,12,15H,2,4,6,8-9H2,1H3
Definition date:	2020-03-04
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	(1R,3S)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methylcyclopentan-1-amine

S4V

S4V
Name:	~{N}2-pyridin-2-ylbenzene-1,2-diamine
Formula:	C11 H11 N3
SMILES:	Nc1ccccc1Nc2ccccn2
InChi:	InChI=1S/C11H11N3/c12-9-5-1-2-6-10(9)14-11-7-3-4-8-13-11/h1-8H,12H2,(H,13,14)
Definition date:	2020-03-04
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	~{N}2-pyridin-2-ylbenzene-1,2-diamine

S4Y

S4Y
Name:	(2R,5S)-5-(4-chlorophenyl)oxolane-2-carbohydrazide
Formula:	C11 H13 Cl N2 O2
SMILES:	c1c(ccc(c1)Cl)C2CCC(C(NN)=O)O2
InChi:	InChI=1S/C11H13ClN2O2/c12-8-3-1-7(2-4-8)9-5-6-10(16-9)11(15)14-13/h1-4,9-10H,5-6,13H2,(H,14,15)
Definition date:	2020-03-04
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	(2R,5S)-5-(4-chlorophenyl)oxolane-2-carbohydrazide

S5A

S5A
Name:	3-[4-(4-hydroxyphenyl)phenyl]propanoic acid
Formula:	C15 H14 O3
SMILES:	OC(=O)CCc1ccc(cc1)c2ccc(O)cc2
InChi:	InChI=1S/C15H14O3/c16-14-8-6-13(7-9-14)12-4-1-11(2-5-12)3-10-15(17)18/h1-2,4-9,16H,3,10H2,(H,17,18)
Definition date:	2020-03-04
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	3-[4-(4-hydroxyphenyl)phenyl]propanoic acid

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