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Y2I

Y2I
Name:	N-{(1R)-1-[(3P,5P)-3-(1-cyclopropyl-1H-pyrazol-4-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide
Formula:	C30 H36 N6 O2
SMILES:	CN(C)CCOc1cc(c(C)cc1)C(=O)NC(C)c1cc(cc(c1)c1cn(nc1)C1CC1)c1cn(C)nc1
InChi:	InChI=1S/C30H36N6O2/c1-20-6-9-28(38-11-10-34(3)4)15-29(20)30(37)33-21(2)22-12-23(25-16-31-35(5)18-25)14-24(13-22)26-17-32-36(19-26)27-7-8-27/h6,9,12-19,21,27H,7-8,10-11H2,1-5H3,(H,33,37)
Definition date:	2023-11-14
Last modified:	2024-03-29
Release date:	2024-04-03
Identifier:	N-{(1R)-1-[(3P,5P)-3-(1-cyclopropyl-1H-pyrazol-4-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide

Y2N

Y2N
Name:	5-[2-(dimethylamino)ethoxy]-2-methyl-N-{(1R)-1-[(3P,5M)-3-(1-methyl-1H-pyrazol-4-yl)-5-(1,3-thiazol-5-yl)phenyl]ethyl}benzamide
Formula:	C27 H31 N5 O2 S
SMILES:	CN(C)CCOc1cc(c(C)cc1)C(=O)NC(C)c1cc(cc(c1)c1cncs1)c1cn(C)nc1
InChi:	InChI=1S/C27H31N5O2S/c1-18-6-7-24(34-9-8-31(3)4)13-25(18)27(33)30-19(2)20-10-21(23-14-29-32(5)16-23)12-22(11-20)26-15-28-17-35-26/h6-7,10-17,19H,8-9H2,1-5H3,(H,30,33)
Definition date:	2023-11-14
Last modified:	2024-03-29
Release date:	2024-04-03
Identifier:	5-[2-(dimethylamino)ethoxy]-2-methyl-N-{(1R)-1-[(3P,5M)-3-(1-methyl-1H-pyrazol-4-yl)-5-(1,3-thiazol-5-yl)phenyl]ethyl}benzamide

Y2R

Y2R
Name:	N-{(1R)-1-[(3P,5P)-3-[5-(aminomethyl)thiophen-2-yl]-5-(thiophen-2-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide
Formula:	C29 H33 N3 O2 S2
SMILES:	NCc1ccc(s1)c1cc(cc(c1)c1cccs1)C(C)NC(=O)c1cc(OCCN(C)C)ccc1C
InChi:	InChI=1S/C29H33N3O2S2/c1-19-7-8-24(34-12-11-32(3)4)17-26(19)29(33)31-20(2)21-14-22(27-6-5-13-35-27)16-23(15-21)28-10-9-25(18-30)36-28/h5-10,13-17,20H,11-12,18,30H2,1-4H3,(H,31,33)
Definition date:	2023-11-14
Last modified:	2024-03-29
Release date:	2024-04-03
Identifier:	N-{(1R)-1-[(3P,5P)-3-[5-(aminomethyl)thiophen-2-yl]-5-(thiophen-2-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide

XB5

XB5
Name:	5-[2-(dimethylamino)ethoxy]-N-{(1R)-1-[(3M,5P)-3-(1-ethyl-1H-pyrazol-3-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-2-methylbenzamide
Formula:	C29 H36 N6 O2
SMILES:	CCn1ccc(n1)c1cc(cc(c1)c1cn(C)nc1)C(C)NC(=O)c1cc(OCCN(C)C)ccc1C
InChi:	InChI=1S/C29H36N6O2/c1-7-35-11-10-28(32-35)24-15-22(14-23(16-24)25-18-30-34(6)19-25)21(3)31-29(36)27-17-26(9-8-20(27)2)37-13-12-33(4)5/h8-11,14-19,21H,7,12-13H2,1-6H3,(H,31,36)
Definition date:	2023-10-26
Last modified:	2024-03-29
Release date:	2024-04-03
Identifier:	5-[2-(dimethylamino)ethoxy]-N-{(1R)-1-[(3M,5P)-3-(1-ethyl-1H-pyrazol-3-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-2-methylbenzamide

OBX

OBX
Name:	[(2~{R},3~{S},4~{R},5~{R})-5-[4-azanyl-2-(4-carbamimidamidobutylamino)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
Formula:	C14 H27 N7 O7 P
SMILES:	NC(=N)NCCCCNc1nc(N)cc[n+]1[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
InChi:	InChI=1S/C14H26N7O7P/c15-9-3-6-21(14(20-9)19-5-2-1-4-18-13(16)17)12-11(23)10(22)8(28-12)7-27-29(24,25)26/h3,6,8,10-12,22-23H,1-2,4-5,7H2,(H8,15,16,17,18,19,20,24,25,26)/p+1/t8-,10-,11-,12-/m1/s1
Synonyms:	agmatidine
Definition date:	2023-01-30
Last modified:	2024-03-29
Release date:	2024-04-03
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-[4-azanyl-2-(4-carbamimidamidobutylamino)pyrimidin-1-ium-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

XP6

XP6
Name:	Norbaeocystin
Formula:	C10 H13 N2 O4 P
SMILES:	NCCc1c[nH]c2cccc(O[P](O)(O)=O)c12
InChi:	InChI=1S/C10H13N2O4P/c11-5-4-7-6-12-8-2-1-3-9(10(7)8)16-17(13,14)15/h1-3,6,12H,4-5,11H2,(H2,13,14,15)
Synonyms:	[3-(2-azanylethyl)-1~{H}-indol-4-yl] dihydrogen phosphate
Definition date:	2023-06-08
Last modified:	2024-03-29
Release date:	2024-04-03
Identifier:	[3-(2-azanylethyl)-1~{H}-indol-4-yl] dihydrogen phosphate

XPN

XPN
Name:	Baeocystin
Formula:	C11 H15 N2 O4 P
SMILES:	CNCCc1c[nH]c2cccc(O[P](O)(O)=O)c12
InChi:	InChI=1S/C11H15N2O4P/c1-12-6-5-8-7-13-9-3-2-4-10(11(8)9)17-18(14,15)16/h2-4,7,12-13H,5-6H2,1H3,(H2,14,15,16)
Synonyms:	[3-[2-(methylamino)ethyl]-1~{H}-indol-4-yl] dihydrogen phosphate
Definition date:	2023-06-08
Last modified:	2024-03-29
Release date:	2024-04-03
Identifier:	[3-[2-(methylamino)ethyl]-1~{H}-indol-4-yl] dihydrogen phosphate

XCE

XCE
Name:	~{N}-[(2~{S})-1-[[(1~{S})-1-(8~{a}~{H}-imidazo[1,2-a]pyrimidin-2-yl)ethyl]amino]-1-oxidanylidene-4-phenyl-butan-2-yl]-4,5-bis(chloranyl)-1~{H}-pyrrole-2-carboxamide
Formula:	C23 H22 Cl2 N6 O2
SMILES:	Clc1cc([NH]c1Cl)C(=O)NC(CCc1ccccc1)C(=O)NC(C)c1cn2cccnc2n1
InChi:	InChI=1S/C23H22Cl2N6O2/c1-14(19-13-31-11-5-10-26-23(31)30-19)27-21(32)17(9-8-15-6-3-2-4-7-15)29-22(33)18-12-16(24)20(25)28-18/h2-7,10-14,17,28H,8-9H2,1H3,(H,27,32)(H,29,33)/t14-,17-/m0/s1
Definition date:	2023-10-30
Last modified:	2024-03-29
Release date:	2024-04-03
Identifier:	4,5-dichloro-N-[(2S)-1-({(1S)-1-[(4S)-imidazo[1,2-a]pyrimidin-2-yl]ethyl}amino)-1-oxo-4-phenylbutan-2-yl]-1H-pyrrole-2-carboxamide

W5O

W5O
Name:	SSR504734
Formula:	C20 H20 Cl F3 N2 O
SMILES:	FC(F)(F)c1cccc(C(=O)N[CH]([CH]2CCCCN2)c3ccccc3)c1Cl
InChi:	InChI=1S/C20H20ClF3N2O/c21-17-14(9-6-10-15(17)20(22,23)24)19(27)26-18(13-7-2-1-3-8-13)16-11-4-5-12-25-16/h1-3,6-10,16,18,25H,4-5,11-12H2,(H,26,27)/t16-,18-/m1/s1
Synonyms:	2-chloranyl-~{N}-[(~{R})-phenyl-[(2~{R})-piperidin-2-yl]methyl]-3-(trifluoromethyl)benzamide
Definition date:	2023-09-20
Last modified:	2024-03-29
Release date:	2024-04-03
Identifier:	2-chloranyl-~{N}-[(~{R})-phenyl-[(2~{R})-piperidin-2-yl]methyl]-3-(trifluoromethyl)benzamide

Q2F

Q2F
Name:	~{N}-[[4-[[7-ethyl-2,6-bis(oxidanylidene)purin-3-yl]methyl]cyclohexyl]methyl]-3-fluoranyl-4-(oxan-4-yloxy)benzenesulfonamide
Formula:	C26 H34 F N5 O6 S
SMILES:	CCn1cnc2N(C[CH]3CC[CH](CC3)CN[S](=O)(=O)c4ccc(OC5CCOCC5)c(F)c4)C(=O)NC(=O)c12
InChi:	InChI=1S/C26H34FN5O6S/c1-2-31-16-28-24-23(31)25(33)30-26(34)32(24)15-18-5-3-17(4-6-18)14-29-39(35,36)20-7-8-22(21(27)13-20)38-19-9-11-37-12-10-19/h7-8,13,16-19,29H,2-6,9-12,14-15H2,1H3,(H,30,33,34)/t17-,18-
Definition date:	2022-10-11
Last modified:	2024-03-29
Release date:	2024-04-03
Identifier:	~{N}-[[4-[[7-ethyl-2,6-bis(oxidanylidene)purin-3-yl]methyl]cyclohexyl]methyl]-3-fluoranyl-4-(oxan-4-yloxy)benzenesulfonamide

W5X

W5X
Name:	PF-3463275
Formula:	C19 H22 Cl F N4 O
SMILES:	CN1C[CH]2[CH](C1)C2CN(Cc3ccc(F)c(Cl)c3)C(=O)c4cn(C)cn4
InChi:	InChI=1S/C19H22ClFN4O/c1-23-7-13-14(8-23)15(13)9-25(19(26)18-10-24(2)11-22-18)6-12-3-4-17(21)16(20)5-12/h3-5,10-11,13-15H,6-9H2,1-2H3/t13-,14+,15-
Synonyms:	~{N}-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-1-methyl-~{N}-[[(1~{R},5~{S})-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide
Definition date:	2023-09-20
Last modified:	2024-03-29
Release date:	2024-04-03
Identifier:	~{N}-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-1-methyl-~{N}-[[(1~{R},5~{S})-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide

MKX

MKX
Name:	[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-[6-[(4~{S})-4-[(1~{R})-1-oxidanylethyl]-2,5-bis(oxidanylidene)imidazolidin-1-yl]purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate
Formula:	C15 H19 N6 O10 P
SMILES:	C[CH](O)[CH]1NC(=O)N(C1=O)c2ncnc3n(cnc23)[CH]4O[CH](CO[P](O)(O)=O)[CH](O)[CH]4O
InChi:	InChI=1S/C15H19N6O10P/c1-5(22)7-13(25)21(15(26)19-7)12-8-11(16-3-17-12)20(4-18-8)14-10(24)9(23)6(31-14)2-30-32(27,28)29/h3-7,9-10,14,22-24H,2H2,1H3,(H,19,26)(H2,27,28,29)/t5-,6-,7+,9-,10-,14-/m1/s1
Synonyms:	cyclic N6-threonylcarbamoyladenosine 5'-monophosphate
Definition date:	2022-12-26
Last modified:	2024-03-29
Release date:	2024-04-03
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-[6-[(4~{S})-4-[(1~{R})-1-oxidanylethyl]-2,5-bis(oxidanylidene)imidazolidin-1-yl]purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate

WSP

WSP
Name:	Spiroimine (-)-4 S
Formula:	C13 H21 N O2
SMILES:	CC1=NCCC[C]12CCCCC23OCCO3
InChi:	InChI=1S/C13H21NO2/c1-11-12(6-4-8-14-11)5-2-3-7-13(12)15-9-10-16-13/h2-10H2,1H3/t12-/m0/s1
Synonyms:	(6~{S})-7-methyl-1,4-dioxa-8-azadispiro[4.0.5^{6}.4^{5}]pentadec-7-ene
Definition date:	2023-10-11
Last modified:	2024-03-29
Release date:	2024-04-03
Identifier:	(6~{S})-7-methyl-1,4-dioxa-8-azadispiro[4.0.5^{6}.4^{5}]pentadec-7-ene

WY0

WY0
Name:	(5R)-5-ethyl-3-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridin-3-yl)imidazolidine-2,4-dione
Formula:	C20 H19 N3 O4
SMILES:	CC[CH]1NC(=O)N(C1=O)c2ccc(Oc3cccc4OCC5(CC5)c34)nc2
InChi:	InChI=1S/C20H19N3O4/c1-2-13-18(24)23(19(25)22-13)12-6-7-16(21-10-12)27-15-5-3-4-14-17(15)20(8-9-20)11-26-14/h3-7,10,13H,2,8-9,11H2,1H3,(H,22,25)/t13-/m1/s1
Definition date:	2023-10-17
Last modified:	2024-03-29
Release date:	2024-04-03
Identifier:	(5~{R})-5-ethyl-3-(6-spiro[2~{H}-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridin-3-yl)imidazolidine-2,4-dione

WY9

WY9
Name:	(5R)-5-ethyl-3-[6-(3-methoxy-4-methyl-phenoxy)pyridin-3-yl]imidazolidine-2,4-dione
Formula:	C18 H19 N3 O4
SMILES:	CC[CH]1NC(=O)N(C1=O)c2ccc(Oc3ccc(C)c(OC)c3)nc2
InChi:	InChI=1S/C18H19N3O4/c1-4-14-17(22)21(18(23)20-14)12-6-8-16(19-10-12)25-13-7-5-11(2)15(9-13)24-3/h5-10,14H,4H2,1-3H3,(H,20,23)/t14-/m1/s1
Definition date:	2023-10-17
Last modified:	2024-03-29
Release date:	2024-04-03
Identifier:	(5~{R})-5-ethyl-3-[6-(3-methoxy-4-methyl-phenoxy)pyridin-3-yl]imidazolidine-2,4-dione

VOB

VOB
Name:	~{N},~{N}-diethyl-2-(4-nitrophenoxy)ethanamine
Formula:	C12 H18 N2 O3
SMILES:	CCN(CC)CCOc1ccc(cc1)[N+4](=O)=O
InChi:	InChI=1S/C12H18N2O3/c1-3-13(4-2)9-10-17-12-7-5-11(6-8-12)14(15)16/h5-8H,3-4,9-10H2,1-2H3/q+4
Definition date:	2023-03-21
Last modified:	2024-03-29
Release date:	2024-04-03
Identifier:	~{N},~{N}-diethyl-2-(4-nitrophenoxy)ethanamine

VOF

VOF
Name:	(2~{R})-2-fluoranyl-2-(4-fluoranyl-1,2,4$l^{4}-triazacyclopenta-2,4-dien-1-yl)-1-phenyl-ethanone
Formula:	C10 H8 F2 N3 O
SMILES:	F[CH](n1c[n](F)cn1)C(=O)c2ccccc2
InChi:	InChI=1S/C10H8F2N3O/c11-10(15-7-14(12)6-13-15)9(16)8-4-2-1-3-5-8/h1-7,10H/t10-/m0/s1
Definition date:	2023-03-21
Last modified:	2024-03-29
Release date:	2024-04-03
Identifier:	(2~{R})-2-fluoranyl-2-(4-fluoranyl-1,2,4$l^{4}-triazacyclopenta-2,4-dien-1-yl)-1-phenyl-ethanone

BYW

BYW
Name:	2-hydroxy-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-2-methylpropanamide
Formula:	C18 H17 F3 N2 O4
SMILES:	Fc1cc(cc(F)c1F)c1ccc(cc1)C(NC(=O)C(C)(C)O)C(=O)NO
InChi:	InChI=1S/C18H17F3N2O4/c1-18(2,26)17(25)22-15(16(24)23-27)10-5-3-9(4-6-10)11-7-12(19)14(21)13(20)8-11/h3-8,15,26-27H,1-2H3,(H,22,25)(H,23,24)/t15-/m1/s1
Definition date:	2023-04-24
Last modified:	2024-03-29
Release date:	2024-04-03
Identifier:	2-hydroxy-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-2-methylpropanamide

ILR

ILR
Name:	Spiroimine (+)-4 R
Formula:	C13 H21 N O2
SMILES:	CC1=NCCC[C]12CCCCC23OCCO3
InChi:	InChI=1S/C13H21NO2/c1-11-12(6-4-8-14-11)5-2-3-7-13(12)15-9-10-16-13/h2-10H2,1H3/t12-/m1/s1
Synonyms:	(6~{R})-7-methyl-1,4-dioxa-8-azadispiro[4.0.5^{6}.4^{5}]pentadec-7-ene
Definition date:	2023-08-01
Last modified:	2024-03-29
Release date:	2024-04-03
Identifier:	(6~{R})-7-methyl-1,4-dioxa-8-azadispiro[4.0.5^{6}.4^{5}]pentadec-7-ene

MA6

MA6
Name:	6N-DIMETHYLADENOSINE-5'-MONOPHOSHATE
Formula:	C12 H18 N5 O7 P
SMILES:	CN(C)c1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O
InChi:	InChI=1S/C12H18N5O7P/c1-16(2)10-7-11(14-4-13-10)17(5-15-7)12-9(19)8(18)6(24-12)3-23-25(20,21)22/h4-6,8-9,12,18-19H,3H2,1-2H3,(H2,20,21,22)/t6-,8-,9-,12-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-03-27
Identifier:	N,N-dimethyladenosine 5'-(dihydrogen phosphate)

WZ9

WZ9
Name:	7-azanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one
Formula:	C14 H13 N3 O
SMILES:	Nc1cccc2N(Cc3ccccc3)C(=O)Nc12
InChi:	InChI=1S/C14H13N3O/c15-11-7-4-8-12-13(11)16-14(18)17(12)9-10-5-2-1-3-6-10/h1-8H,9,15H2,(H,16,18)
Definition date:	2023-10-17
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	7-azanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one

WZL

WZL
Name:	7-bromanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one
Formula:	C14 H11 Br N2 O
SMILES:	Brc1cccc2N(Cc3ccccc3)C(=O)Nc12
InChi:	InChI=1S/C14H11BrN2O/c15-11-7-4-8-12-13(11)16-14(18)17(12)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,16,18)
Definition date:	2023-10-17
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	7-bromanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one

WZR

WZR
Name:	(4~{R})-7-oxidanyl-4-phenyl-3,4-dihydro-1~{H}-quinolin-2-one
Formula:	C15 H13 N O2
SMILES:	Oc1ccc2[CH](CC(=O)Nc2c1)c3ccccc3
InChi:	InChI=1S/C15H13NO2/c17-11-6-7-12-13(10-4-2-1-3-5-10)9-15(18)16-14(12)8-11/h1-8,13,17H,9H2,(H,16,18)/t13-/m1/s1
Definition date:	2023-10-17
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	(4~{R})-7-oxidanyl-4-phenyl-3,4-dihydro-1~{H}-quinolin-2-one

ZJZ

ZJZ
Name:	7-(2-azanyl-5-chloranyl-phenyl)-3$l^{3}-thia-5,6$l^{4}-diaza-2$l^{3}-platinatricyclo[6.4.0.0^{2,6}]dodeca-1(12),3,6,8,10-pentaen-4-amine
Formula:	C14 H12 Cl N4 Pt S
SMILES:	NC(=S)NN=C(c1cc(Cl)ccc1N)c2ccccc2[Pt]
InChi:	InChI=1S/C14H12ClN4S.Pt/c15-10-6-7-12(16)11(8-10)13(18-19-14(17)20)9-4-2-1-3-5-9
Definition date:	2023-04-01
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	7-(2-azanyl-5-chloranyl-phenyl)-3$l^{3}-thia-5,6$l^{4}-diaza-2$l^{3}-platinatricyclo[6.4.0.0^{2,6}]dodeca-1(12),3,6,8,10-pentaen-4-amine

WZX

WZX
Name:	ethyl 2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethanoate
Formula:	C12 H14 N2 O3
SMILES:	CCOC(=O)CN1CC(=O)Nc2ccccc12
InChi:	InChI=1S/C12H14N2O3/c1-2-17-12(16)8-14-7-11(15)13-9-5-3-4-6-10(9)14/h3-6H,2,7-8H2,1H3,(H,13,15)
Definition date:	2023-10-17
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	ethyl 2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethanoate

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