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JGK

JGK
Name:	~{N}-[3-(3-azanyl-5-methyl-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide
Formula:	C25 H23 N3 O5
SMILES:	CCOc1ccc(cc1c2cc(NC(=O)c3occc3)cc(c2)c4c(C)onc4N)C(C)=O
InChi:	InChI=1S/C25H23N3O5/c1-4-31-21-8-7-16(14(2)29)13-20(21)17-10-18(23-15(3)33-28-24(23)26)12-19(11-17)27-25(30)22-6-5-9-32-22/h5-13H,4H2,1-3H3,(H2,26,28)(H,27,30)
Definition date:	2019-02-22
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	~{N}-[3-(3-azanyl-5-methyl-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide

JH8

JH8
Name:	2-[4-(4-isoquinolin-4-ylphenyl)pyrazol-1-yl]-~{N},~{N}-dimethyl-ethanamide
Formula:	C22 H20 N4 O
SMILES:	CN(C)C(=O)Cn1cc(cn1)c2ccc(cc2)c3cncc4ccccc34
InChi:	InChI=1S/C22H20N4O/c1-25(2)22(27)15-26-14-19(12-24-26)16-7-9-17(10-8-16)21-13-23-11-18-5-3-4-6-20(18)21/h3-14H,15H2,1-2H3
Definition date:	2019-02-25
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	2-[4-(4-isoquinolin-4-ylphenyl)pyrazol-1-yl]-~{N},~{N}-dimethyl-ethanamide

JHK

JHK
Name:	~{N},~{N}-dimethyl-2-[4-[4-(2,6-naphthyridin-4-yl)phenyl]pyrazol-1-yl]ethanamide
Formula:	C21 H19 N5 O
SMILES:	CN(C)C(=O)Cn1cc(cn1)c2ccc(cc2)c3cncc4ccncc34
InChi:	InChI=1S/C21H19N5O/c1-25(2)21(27)14-26-13-18(10-24-26)15-3-5-16(6-4-15)19-12-23-9-17-7-8-22-11-20(17)19/h3-13H,14H2,1-2H3
Definition date:	2019-02-26
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	~{N},~{N}-dimethyl-2-[4-[4-(2,6-naphthyridin-4-yl)phenyl]pyrazol-1-yl]ethanamide

JHW

JHW
Name:	8-cyclopropyl-2-pyridin-3-yl-[1,3]thiazolo[5,4-f]quinazolin-9-one
Formula:	C17 H12 N4 O S
SMILES:	O=C1N(C=Nc2ccc3nc(sc3c12)c4cccnc4)C5CC5
InChi:	InChI=1S/C17H12N4OS/c22-17-14-12(19-9-21(17)11-3-4-11)5-6-13-15(14)23-16(20-13)10-2-1-7-18-8-10/h1-2,5-9,11H,3-4H2
Definition date:	2019-02-27
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	8-cyclopropyl-2-pyridin-3-yl-[1,3]thiazolo[5,4-f]quinazolin-9-one

CO0

CO0
Name:	(3~{Z})-4-methyl-3-(phenylmethylidene)-1~{H}-1,4-benzodiazepine-2,5-dione
Formula:	C17 H14 N2 O2
SMILES:	CN1C(=O)c2ccccc2NC(=O)C1=Cc3ccccc3
InChi:	InChI=1S/C17H14N2O2/c1-19-15(11-12-7-3-2-4-8-12)16(20)18-14-10-6-5-9-13(14)17(19)21/h2-11H,1H3,(H,18,20)/b15-11-
Definition date:	2019-05-10
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	(3~{Z})-4-methyl-3-(phenylmethylidene)-1~{H}-1,4-benzodiazepine-2,5-dione

JJ2

JJ2
Name:	1-[(3,4-dichlorophenyl)methyl]-5-[2-(dimethylamino)ethyl]pyrrolo[3,2-c]pyridin-4-one
Formula:	C18 H19 Cl2 N3 O
SMILES:	CN(C)CCN1C=Cc2n(Cc3ccc(Cl)c(Cl)c3)ccc2C1=O
InChi:	InChI=1S/C18H19Cl2N3O/c1-21(2)9-10-22-8-6-17-14(18(22)24)5-7-23(17)12-13-3-4-15(19)16(20)11-13/h3-8,11H,9-10,12H2,1-2H3
Definition date:	2019-02-27
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	1-[(3,4-dichlorophenyl)methyl]-5-[2-(dimethylamino)ethyl]pyrrolo[3,2-c]pyridin-4-one

JJ5

JJ5
Name:	1-[(3,4-dichlorophenyl)methyl]-7~{H}-pyrrolo[3,2-c]pyridin-4-one
Formula:	C14 H10 Cl2 N2 O
SMILES:	Clc1ccc(Cn2ccc3C(=O)N=CCc23)cc1Cl
InChi:	InChI=1S/C14H10Cl2N2O/c15-11-2-1-9(7-12(11)16)8-18-6-4-10-13(18)3-5-17-14(10)19/h1-2,4-7H,3,8H2
Definition date:	2019-02-27
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	1-[(3,4-dichlorophenyl)methyl]-7~{H}-pyrrolo[3,2-c]pyridin-4-one

JJ8

JJ8
Name:	1-[(3,4-dichlorophenyl)methyl]imidazole
Formula:	C10 H8 Cl2 N2
SMILES:	Clc1ccc(Cn2ccnc2)cc1Cl
InChi:	InChI=1S/C10H8Cl2N2/c11-9-2-1-8(5-10(9)12)6-14-4-3-13-7-14/h1-5,7H,6H2
Definition date:	2019-02-27
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	1-[(3,4-dichlorophenyl)methyl]imidazole

CQ9

CQ9
Name:	(3~{R},3'~{S})-4-methyl-3'-phenyl-spiro[1~{H}-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione
Formula:	C17 H14 N2 O3
SMILES:	CN1C(=O)c2ccccc2NC(=O)[C]13O[CH]3c4ccccc4
InChi:	InChI=1S/C17H14N2O3/c1-19-15(20)12-9-5-6-10-13(12)18-16(21)17(19)14(22-17)11-7-3-2-4-8-11/h2-10,14H,1H3,(H,18,21)/t14-,17+/m0/s1
Definition date:	2019-05-10
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	(3~{R},3'~{S})-4-methyl-3'-phenyl-spiro[1~{H}-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione

CV0

CV0
Name:	MESOPORPHYRIN IX CONTAINING Rh
Formula:	C34 H36 N4 O4 Rh
SMILES:	CCC1=C(C)C2=Cc3n4[Rh][N]5C(=CC1=N2)C(=C(CCC(O)=O)C5=CC6=NC(=Cc4c(C)c3CC)C(=C6CCC(O)=O)C)C
InChi:	InChI=1S/C34H38N4O4.Rh/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25
Definition date:	2019-05-17
Last modified:	2020-03-13
Release date:	2020-03-18

CV3

CV3
Name:	(3~{Z})-4-methyl-3-[[4-(trifluoromethyl)phenyl]methylidene]-1~{H}-1,4-benzodiazepine-2,5-dione
Formula:	C18 H13 F3 N2 O2
SMILES:	CN1C(=O)c2ccccc2NC(=O)C1=Cc3ccc(cc3)C(F)(F)F
InChi:	InChI=1S/C18H13F3N2O2/c1-23-15(10-11-6-8-12(9-7-11)18(19,20)21)16(24)22-14-5-3-2-4-13(14)17(23)25/h2-10H,1H3,(H,22,24)/b15-10-
Definition date:	2019-05-20
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	(3~{Z})-4-methyl-3-[[4-(trifluoromethyl)phenyl]methylidene]-1~{H}-1,4-benzodiazepine-2,5-dione

D0L

D0L
Name:	(2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid
Formula:	C21 H32 N2 O3
SMILES:	CCCCCCCN1CCC[CH]1C(=O)N[CH](Cc2ccccc2)C(O)=O
InChi:	InChI=1S/C21H32N2O3/c1-2-3-4-5-9-14-23-15-10-13-19(23)20(24)22-18(21(25)26)16-17-11-7-6-8-12-17/h6-8,11-12,18-19H,2-5,9-10,13-16H2,1H3,(H,22,24)(H,25,26)/t18-,19-/m0/s1
Definition date:	2019-05-29
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	(2~{S})-2-[[(2~{S})-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid

T2C

T2C
Name:	(2S)-1,3-thiazolidine-2-carboxylic acid
Formula:	C4 H7 N O2 S
SMILES:	C1(C(O)=O)NCCS1
InChi:	InChI=1S/C4H7NO2S/c6-4(7)3-5-1-2-8-3/h3,5H,1-2H2,(H,6,7)/t3-/m0/s1
Definition date:	2019-09-25
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	(2S)-1,3-thiazolidine-2-carboxylic acid

VMC

VMC
Name:	2-methoxy-4-(1-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}-4-phenyl-1H-imidazol-5-yl)phenol
Formula:	C23 H27 N3 O2
SMILES:	Oc1c(OC)cc(cc1)c2n(cnc2c3ccccc3)CCC4N(CCC4)C
InChi:	InChI=1S/C23H27N3O2/c1-25-13-6-9-19(25)12-14-26-16-24-22(17-7-4-3-5-8-17)23(26)18-10-11-20(27)21(15-18)28-2/h3-5,7-8,10-11,15-16,19,27H,6,9,12-14H2,1-2H3/t19-/m0/s1
Definition date:	2019-09-06
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	2-methoxy-4-(1-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}-4-phenyl-1H-imidazol-5-yl)phenol

EAR

EAR
Name:	ethyl 2-[2-(4-chlorophenyl)-7-methyl-5-oxidanylidene-imidazo[1,2-a]pyrimidin-8-yl]ethanoate
Formula:	C17 H16 Cl N3 O3
SMILES:	CCOC(=O)CN1C(=CC(=O)n2cc(nc12)c3ccc(Cl)cc3)C
InChi:	InChI=1S/C17H16ClN3O3/c1-3-24-16(23)10-20-11(2)8-15(22)21-9-14(19-17(20)21)12-4-6-13(18)7-5-12/h4-9H,3,10H2,1-2H3
Definition date:	2019-12-04
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	ethyl 2-[2-(4-chlorophenyl)-7-methyl-5-oxidanylidene-imidazo[1,2-a]pyrimidin-8-yl]ethanoate

S9Y

S9Y
Name:	2-[[(2~{S})-2-decanoyloxypropoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium
Formula:	C18 H39 N O6 P
SMILES:	CCCCCCCCCC(=O)O[CH](C)CO[P](O)(=O)OCC[N+](C)(C)C
InChi:	InChI=1S/C18H38NO6P/c1-6-7-8-9-10-11-12-13-18(20)25-17(2)16-24-26(21,22)23-15-14-19(3,4)5/h17H,6-16H2,1-5H3/p+1/t17-/m0/s1
Definition date:	2020-03-06
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	2-[[(2~{S})-2-decanoyloxypropoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

SBJ

SBJ
Name:	[(2~{S})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-octanoyloxy-propan-2-yl] octadecanoate
Formula:	C31 H62 N O8 P
SMILES:	CCCCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCC)CO[P](O)(=O)OCCN
InChi:	InChI=1S/C31H62NO8P/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-24-31(34)40-29(28-39-41(35,36)38-26-25-32)27-37-30(33)23-21-19-8-6-4-2/h29H,3-28,32H2,1-2H3,(H,35,36)/t29-/m0/s1
Definition date:	2020-03-06
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	[(2~{S})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-octanoyloxy-propan-2-yl] octadecanoate

SBM

SBM
Name:	2-[[(2~{S})-2-decanoyloxy-3-dodecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium
Formula:	C30 H61 N O8 P
SMILES:	CCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC
InChi:	InChI=1S/C30H60NO8P/c1-6-8-10-12-14-15-17-18-20-22-29(32)36-26-28(27-38-40(34,35)37-25-24-31(3,4)5)39-30(33)23-21-19-16-13-11-9-7-2/h28H,6-27H2,1-5H3/p+1/t28-/m0/s1
Definition date:	2020-03-06
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	2-[[(2~{S})-2-decanoyloxy-3-dodecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

LJ8

LJ8
Name:	(2~{S})-5-azanyl-2-[[[(3~{S})-3-methyl-5-phenyl-pentyl]-oxidanyl-phosphoryl]methyl]-5-oxidanylidene-pentanoic acid
Formula:	C18 H28 N O5 P
SMILES:	C[CH](CCc1ccccc1)CC[P](O)(=O)C[CH](CCC(N)=O)C(O)=O
InChi:	InChI=1S/C18H28NO5P/c1-14(7-8-15-5-3-2-4-6-15)11-12-25(23,24)13-16(18(21)22)9-10-17(19)20/h2-6,14,16H,7-13H2,1H3,(H2,19,20)(H,21,22)(H,23,24)/t14-,16+/m0/s1
Definition date:	2019-08-19
Last modified:	2020-03-06
Release date:	2020-03-11
Identifier:	(2~{S})-5-azanyl-2-[[[(3~{S})-3-methyl-5-phenyl-pentyl]-oxidanyl-phosphoryl]methyl]-5-oxidanylidene-pentanoic acid

LMH

LMH
Name:	glucosyl-dolichol phosphate
Formula:	C31 H55 O9 P
SMILES:	C[CH](CCO[P](O)(=O)O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
InChi:	InChI=1S/C31H55O9P/c1-22(2)11-7-12-23(3)13-8-14-24(4)15-9-16-25(5)17-10-18-26(6)19-20-38-41(36,37)40-31-30(35)29(34)28(33)27(21-32)39-31/h11,13,15,17,26-35H,7-10,12,14,16,18-21H2,1-6H3,(H,36,37)/b23-13+,24-15-,25-17-/t26-,27+,28+,29-,30+,31-/m0/s1
Definition date:	2019-08-25
Last modified:	2020-03-06
Release date:	2020-03-11
Identifier:	[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] [(3~{S},6~{Z},10~{Z},14~{E})-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl] hydrogen phosphate

H6W

H6W
Name:	~{N}-[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-~{N}',~{N}'-dimethyl-propane-1,3-diamine
Formula:	C18 H21 N5 O2
SMILES:	CN(C)CCCNc1ccn2ncc(c3ccc4OCOc4c3)c2n1
InChi:	InChI=1S/C18H21N5O2/c1-22(2)8-3-7-19-17-6-9-23-18(21-17)14(11-20-23)13-4-5-15-16(10-13)25-12-24-15/h4-6,9-11H,3,7-8,12H2,1-2H3,(H,19,21)
Definition date:	2018-11-19
Last modified:	2020-03-06
Release date:	2020-03-11
Identifier:	~{N}-[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-~{N}',~{N}'-dimethyl-propane-1,3-diamine

H72

H72
Name:	4-[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
Formula:	C19 H16 N6 O
SMILES:	NC(=O)c1ccc(cc1)c2cnn3ccc(NCc4cccnc4)nc23
InChi:	InChI=1S/C19H16N6O/c20-18(26)15-5-3-14(4-6-15)16-12-23-25-9-7-17(24-19(16)25)22-11-13-2-1-8-21-10-13/h1-10,12H,11H2,(H2,20,26)(H,22,24)
Definition date:	2018-11-19
Last modified:	2020-03-06
Release date:	2020-03-11
Identifier:	4-[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide

K8T

K8T
Name:	2-(3-oxidanyl-2-oxidanylidene-pyridin-1-yl)-~{N}-[2-(4-phenylphenyl)ethyl]ethanamide
Formula:	C21 H20 N2 O3
SMILES:	OC1=CC=CN(CC(=O)NCCc2ccc(cc2)c3ccccc3)C1=O
InChi:	InChI=1S/C21H20N2O3/c24-19-7-4-14-23(21(19)26)15-20(25)22-13-12-16-8-10-18(11-9-16)17-5-2-1-3-6-17/h1-11,14,24H,12-13,15H2,(H,22,25)
Definition date:	2019-05-03
Last modified:	2020-03-06
Release date:	2020-03-11
Identifier:	2-(3-oxidanyl-2-oxidanylidene-pyridin-1-yl)-~{N}-[2-(4-phenylphenyl)ethyl]ethanamide

QMG

QMG
Name:	3-(6-acetylpyrrolo[1,2-a]pyrimidin-8-yl)-N-cyclopropyl-4-methylbenzamide
Formula:	C20 H19 N3 O2
SMILES:	C1C(C1)NC(c4ccc(C)c(c2cc(C(C)=O)n3c2nccc3)c4)=O
InChi:	InChI=1S/C20H19N3O2/c1-12-4-5-14(20(25)22-15-6-7-15)10-16(12)17-11-18(13(2)24)23-9-3-8-21-19(17)23/h3-5,8-11,15H,6-7H2,1-2H3,(H,22,25)
Definition date:	2019-11-20
Last modified:	2020-03-06
Release date:	2020-03-11
Identifier:	3-(6-acetylpyrrolo[1,2-a]pyrimidin-8-yl)-N-cyclopropyl-4-methylbenzamide

MXJ

MXJ
Name:	(3S,5R)-5-amino-N~3~-(4-chloro-3-fluorophenyl)-N~1~-propylpiperidine-1,3-dicarboxamide
Formula:	C16 H22 Cl F N4 O2
SMILES:	CCCNC(=O)N2CC(C(Nc1cc(F)c(Cl)cc1)=O)CC(C2)N
InChi:	InChI=1S/C16H22ClFN4O2/c1-2-5-20-16(24)22-8-10(6-11(19)9-22)15(23)21-12-3-4-13(17)14(18)7-12/h3-4,7,10-11H,2,5-6,8-9,19H2,1H3,(H,20,24)(H,21,23)/t10-,11+/m0/s1
Definition date:	2019-04-24
Last modified:	2020-03-06
Release date:	2020-03-11
Identifier:	(3S,5R)-5-amino-N~3~-(4-chloro-3-fluorophenyl)-N~1~-propylpiperidine-1,3-dicarboxamide

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