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JEI

JEI
Name:	(3-{(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid
Formula:	C15 H24 N6 O9 P2
SMILES:	O=C(CCP(=O)(O)O)N1CC(CC1COCCP(=O)(O)O)n1cnc2c1N=C(N)NC2=O
InChi:	InChI=1S/C15H24N6O9P2/c16-15-18-13-12(14(23)19-15)17-8-21(13)9-5-10(7-30-2-4-32(27,28)29)20(6-9)11(22)1-3-31(24,25)26/h8-10H,1-7H2,(H2,24,25,26)(H2,27,28,29)(H3,16,18,19,23)/t9-,10+/m1/s1
Definition date:	2023-08-07
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	(3-{(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid

JG6

JG6
Name:	{3-[(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl}phosphonic acid
Formula:	C13 H19 N6 O6 P
SMILES:	O=C(CCP(=O)(O)O)N1CC(CC1CO)n1cnc2c1N=C(N)NC2=O
InChi:	InChI=1S/C13H19N6O6P/c14-13-16-11-10(12(22)17-13)15-6-19(11)7-3-8(5-20)18(4-7)9(21)1-2-26(23,24)25/h6-8,20H,1-5H2,(H2,23,24,25)(H3,14,16,17,22)/t7-,8+/m1/s1
Definition date:	2023-08-07
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	{3-[(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl}phosphonic acid

YOP

YOP
Name:	3-[(2S)-2-amino-3-hydroxypropyl]pyridin-2(5H)-one
Formula:	C8 H12 N2 O2
SMILES:	O=C1NC=CC=C1CC(N)CO
InChi:	InChI=1S/C8H12N2O2/c9-7(5-11)4-6-2-1-3-10-8(6)12/h1-3,7,11H,4-5,9H2,(H,10,12)/t7-/m0/s1
Definition date:	2021-03-17
Last modified:	2024-04-30
Release date:	2021-08-25
Identifier:	3-[(2S)-2-amino-3-hydroxypropyl]pyridin-2(1H)-one

R5P

R5P
Name:	RIBOSE-5-PHOSPHATE
Formula:	C5 H11 O8 P
SMILES:	O=P(OCC(O)C(O)C(O)C=O)(O)O
InChi:	InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)/t3-,4+,5-/m0/s1
Definition date:	2001-06-19
Last modified:	2024-04-30
Identifier:	5-O-phosphono-D-ribose

LYT

LYT
Name:	BUTYLAMINE
Formula:	C4 H11 N
SMILES:	NCCCC
InChi:	InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3
Definition date:	1999-07-08
Last modified:	2024-04-30
Identifier:	butan-1-amine

9R4

9R4
Name:	D-gamma-glutamyl-2-methyl-L-alanine
Formula:	C9 H16 N2 O5
SMILES:	NC(CCC(NC(C)(C(O)=O)C)=O)C(O)=O
InChi:	InChI=1S/C9H16N2O5/c1-9(2,8(15)16)11-6(12)4-3-5(10)7(13)14/h5H,3-4,10H2,1-2H3,(H,11,12)(H,13,14)(H,15,16)/t5-/m1/s1
Definition date:	2017-06-01
Last modified:	2024-04-30
Release date:	2017-11-15
Identifier:	D-gamma-glutamyl-2-methyl-L-alanine

1CC

1CC
Name:	5-carboxy-2'-deoxycytidine monophosphate
Formula:	C10 H14 N3 O9 P
SMILES:	O=C(O)C=1C(=NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O)N
InChi:	InChI=1S/C10H14N3O9P/c11-8-4(9(15)16)2-13(10(17)12-8)7-1-5(14)6(22-7)3-21-23(18,19)20/h2,5-7,14H,1,3H2,(H,15,16)(H2,11,12,17)(H2,18,19,20)/t5-,6+,7+/m0/s1
Definition date:	2011-11-17
Last modified:	2024-04-29
Identifier:	5-carboxy-2'-deoxycytidine 5'-(dihydrogen phosphate)

ZXJ

ZXJ
Name:	(9aM)-5,5-dimethyl-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid
Formula:	C15 H14 O2 S
SMILES:	O=C(O)c1cc2CC(C)(C)c3ccccc3c2s1
InChi:	InChI=1S/C15H14O2S/c1-15(2)8-9-7-12(14(16)17)18-13(9)10-5-3-4-6-11(10)15/h3-7H,8H2,1-2H3,(H,16,17)
Definition date:	2023-07-07
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	(9aM)-5,5-dimethyl-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid

VZW

VZW
Name:	1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(4-sulfamoylphenyl)carbonylpiperazin-1-yl]quinoline-3-carboxylic acid
Formula:	C24 H23 F N4 O6 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN(CC2)c3cc4N(C=C(C(O)=O)C(=O)c4cc3F)C5CC5
InChi:	InChI=1S/C24H23FN4O6S/c25-19-11-17-20(29(15-3-4-15)13-18(22(17)30)24(32)33)12-21(19)27-7-9-28(10-8-27)23(31)14-1-5-16(6-2-14)36(26,34)35/h1-2,5-6,11-13,15H,3-4,7-10H2,(H,32,33)(H2,26,34,35)
Definition date:	2023-04-21
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(4-sulfamoylphenyl)carbonylpiperazin-1-yl]quinoline-3-carboxylic acid

W0E

W0E
Name:	3-azanyl-5-methyl-phenol
Formula:	C7 H9 N O
SMILES:	Cc1cc(N)cc(O)c1
InChi:	InChI=1S/C7H9NO/c1-5-2-6(8)4-7(9)3-5/h2-4,9H,8H2,1H3
Definition date:	2023-04-21
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	3-azanyl-5-methyl-phenol

W0K

W0K
Name:	~{N}-(2-sulfanylethyl)ethanamide
Formula:	C4 H9 N O S
SMILES:	CC(=O)NCCS
InChi:	InChI=1S/C4H9NOS/c1-4(6)5-2-3-7/h7H,2-3H2,1H3,(H,5,6)
Definition date:	2023-04-21
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	~{N}-(2-sulfanylethyl)ethanamide

W0O

W0O
Name:	1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
Formula:	C23 H24 N6 O
SMILES:	CN1CCC(CC1)n2nc(c3ccc(Oc4ccccc4)cc3)c5c(N)ncnc25
InChi:	InChI=1S/C23H24N6O/c1-28-13-11-17(12-14-28)29-23-20(22(24)25-15-26-23)21(27-29)16-7-9-19(10-8-16)30-18-5-3-2-4-6-18/h2-10,15,17H,11-14H2,1H3,(H2,24,25,26)
Definition date:	2023-04-21
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

W1O

W1O
Name:	1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-[(4-sulfamoylphenyl)methylcarbamoyl]piperazin-1-yl]quinoline-3-carboxylic acid
Formula:	C25 H26 F N5 O6 S
SMILES:	N[S](=O)(=O)c1ccc(CNC(=O)N2CCN(CC2)c3cc4N(C=C(C(O)=O)C(=O)c4cc3F)C5CC5)cc1
InChi:	InChI=1S/C25H26FN5O6S/c26-20-11-18-21(31(16-3-4-16)14-19(23(18)32)24(33)34)12-22(20)29-7-9-30(10-8-29)25(35)28-13-15-1-5-17(6-2-15)38(27,36)37/h1-2,5-6,11-12,14,16H,3-4,7-10,13H2,(H,28,35)(H,33,34)(H2,27,36,37)
Definition date:	2023-04-24
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-[(4-sulfamoylphenyl)methylcarbamoyl]piperazin-1-yl]quinoline-3-carboxylic acid

VLX

VLX
Name:	(2S)-2-[(4R)-2-oxidanylidene-4-propyl-pyrrolidin-1-yl]butanamide
Formula:	C11 H20 N2 O2
SMILES:	CCC[CH]1CN([CH](CC)C(N)=O)C(=O)C1
InChi:	InChI=1S/C11H20N2O2/c1-3-5-8-6-10(14)13(7-8)9(4-2)11(12)15/h8-9H,3-7H2,1-2H3,(H2,12,15)/t8-,9+/m1/s1
Definition date:	2023-07-28
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	(2~{S})-2-[(4~{R})-2-oxidanylidene-4-propyl-pyrrolidin-1-yl]butanamide

ZJT

ZJT
Name:	(9aP)-7-fluoro-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid
Formula:	C13 H9 F O2 S
SMILES:	O=C(O)c1cc2CCc3cc(F)ccc3c2s1
InChi:	InChI=1S/C13H9FO2S/c14-9-3-4-10-7(5-9)1-2-8-6-11(13(15)16)17-12(8)10/h3-6H,1-2H2,(H,15,16)
Definition date:	2023-06-27
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	(9aP)-7-fluoro-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid

X1L

X1L
Name:	N-[(1S)-1-cyclopropyl-3-(methanesulfonyl)propyl]-2-(1,1-difluoroethyl)-4-phenoxypyrimidine-5-carboxamide
Formula:	C20 H23 F2 N3 O4 S
SMILES:	FC(C)(F)c1nc(Oc2ccccc2)c(cn1)C(=O)NC(CCS(C)(=O)=O)C1CC1
InChi:	InChI=1S/C20H23F2N3O4S/c1-20(21,22)19-23-12-15(18(25-19)29-14-6-4-3-5-7-14)17(26)24-16(13-8-9-13)10-11-30(2,27)28/h3-7,12-13,16H,8-11H2,1-2H3,(H,24,26)
Definition date:	2023-10-19
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	N-[(1S)-1-cyclopropyl-3-(methanesulfonyl)propyl]-2-(1,1-difluoroethyl)-4-phenoxypyrimidine-5-carboxamide

W2W

W2W
Name:	7-(1-cyclopropylpyrazol-4-yl)-2-[[2-fluoranyl-4-(4-methylpiperazin-1-yl)sulfonyl-phenyl]amino]-3-methyl-pyrido[1,2-a]pyrimidin-4-one
Formula:	C26 H28 F N7 O3 S
SMILES:	CN1CCN(CC1)[S](=O)(=O)c2ccc(NC3=C(C)C(=O)N4C=C(C=CC4=N3)c5cnn(c5)C6CC6)c(F)c2
InChi:	InChI=1S/C26H28FN7O3S/c1-17-25(29-23-7-6-21(13-22(23)27)38(36,37)32-11-9-31(2)10-12-32)30-24-8-3-18(15-33(24)26(17)35)19-14-28-34(16-19)20-4-5-20/h3,6-8,13-16,20,29H,4-5,9-12H2,1-2H3
Definition date:	2023-04-26
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	7-(1-cyclopropylpyrazol-4-yl)-2-[[2-fluoranyl-4-(4-methylpiperazin-1-yl)sulfonyl-phenyl]amino]-3-methyl-pyrido[1,2-a]pyrimidin-4-one

U0U

U0U
Name:	[2-[2-[[2,2-bis(fluoranyl)-2-phenyl-ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid
Formula:	C16 H16 F2 N O5 P
SMILES:	O[P](O)(=O)c1ccccc1OCC(=O)NCC(F)(F)c2ccccc2
InChi:	InChI=1S/C16H16F2NO5P/c17-16(18,12-6-2-1-3-7-12)11-19-15(20)10-24-13-8-4-5-9-14(13)25(21,22)23/h1-9H,10-11H2,(H,19,20)(H2,21,22,23)
Definition date:	2023-01-18
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	[2-[2-[[2,2-bis(fluoranyl)-2-phenyl-ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid

Y0B

Y0B
Name:	2-methoxy-6-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenol
Formula:	C18 H21 N3 O2
SMILES:	COc1cccc(CNc2nc3ccccc3n2CCC)c1O
InChi:	InChI=1S/C18H21N3O2/c1-3-11-21-15-9-5-4-8-14(15)20-18(21)19-12-13-7-6-10-16(23-2)17(13)22/h4-10,22H,3,11-12H2,1-2H3,(H,19,20)
Definition date:	2023-06-09
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	2-methoxy-6-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenol

UTI

UTI
Name:	(1~{S},2~{S})-1-(6-bromanyl-2-methoxy-quinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2-fluoranyl-3-methoxy-phenyl)butan-2-ol
Formula:	C30 H33 Br F N3 O5
SMILES:	COc1cc(cc(OC)n1)[C](O)(CCN(C)C)[CH](c2cccc(OC)c2F)c3cc4cc(Br)ccc4nc3OC
InChi:	InChI=1S/C30H33BrFN3O5/c1-35(2)13-12-30(36,19-16-25(38-4)34-26(17-19)39-5)27(21-8-7-9-24(37-3)28(21)32)22-15-18-14-20(31)10-11-23(18)33-29(22)40-6/h7-11,14-17,27,36H,12-13H2,1-6H3/t27-,30-/m1/s1
Synonyms:	TBAJ-587
Definition date:	2023-06-21
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	(1~{S},2~{S})-1-(6-bromanyl-2-methoxy-quinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2-fluoranyl-3-methoxy-phenyl)butan-2-ol

W53

W53
Name:	3-(7-azanyl-1,8-naphthyridin-2-yl)-2-[(7-azanyl-1,8-naphthyridin-2-yl)methyl]-~{N}-(3-azanylpropyl)propanamide
Formula:	C23 H26 N8 O
SMILES:	NCCCNC(=O)C(Cc1ccc2ccc(N)nc2n1)Cc3ccc4ccc(N)nc4n3
InChi:	InChI=1S/C23H26N8O/c24-10-1-11-27-23(32)16(12-17-6-2-14-4-8-19(25)30-21(14)28-17)13-18-7-3-15-5-9-20(26)31-22(15)29-18/h2-9,16H,1,10-13,24H2,(H,27,32)(H2,25,28,30)(H2,26,29,31)
Definition date:	2023-09-25
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	3-(7-azanyl-1,8-naphthyridin-2-yl)-2-[(7-azanyl-1,8-naphthyridin-2-yl)methyl]-~{N}-(3-azanylpropyl)propanamide

UH9

UH9
Name:	[2-[2-[[2,2-bis(fluoranyl)-2-(3-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid
Formula:	C16 H15 F3 N O5 P
SMILES:	O[P](O)(=O)c1ccccc1OCC(=O)NCC(F)(F)c2cccc(F)c2
InChi:	InChI=1S/C16H15F3NO5P/c17-12-5-3-4-11(8-12)16(18,19)10-20-15(21)9-25-13-6-1-2-7-14(13)26(22,23)24/h1-8H,9-10H2,(H,20,21)(H2,22,23,24)
Definition date:	2023-02-03
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	[2-[2-[[2,2-bis(fluoranyl)-2-(3-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid

WOQ

WOQ
Name:	Setiptiline
Formula:	C19 H19 N
SMILES:	CN1CC2=C(CC1)c1ccccc1Cc1ccccc21
InChi:	InChI=1S/C19H19N/c1-20-11-10-18-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)19(18)13-20/h2-9H,10-13H2,1H3
Synonyms:	[4a(13b)M,13aM]-2-methyl-2,3,4,9-tetrahydro-1H-dibenzo[3,4:6,7]cyclohepta[1,2-c]pyridine
Definition date:	2023-10-09
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	[4a(13b)M,13aM]-2-methyl-2,3,4,9-tetrahydro-1H-dibenzo[3,4:6,7]cyclohepta[1,2-c]pyridine

X8L

X8L
Name:	L-gulono-1,4-lactone
Formula:	C6 H10 O6
SMILES:	OC[CH](O)[CH]1OC(=O)[CH](O)[CH]1O
InChi:	InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3+,4-,5+/m0/s1
Synonyms:	(3S,4R,5R)-5-[(1S)-1,2-bis(oxidanyl)ethyl]-3,4-bis(oxidanyl)oxolan-2-one
Definition date:	2023-10-25
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	(3~{S},4~{R},5~{R})-5-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4-bis(oxidanyl)oxolan-2-one

WRU

WRU
Name:	Mianserin
Formula:	C18 H20 N2
SMILES:	CN1CC2N(CC1)c1ccccc1Cc1ccccc21
InChi:	InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3/t18-/m1/s1
Definition date:	2023-10-10
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	(5S,14bS)-2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyrazino[1,2-a]azepine

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