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FGX

FGX
Name:	[(1~{R},5~{R},6~{S},8~{R})-8-(6-aminopurin-9-yl)-4'-[(~{R})-oxidanyl-[4-(2-oxidanylidenepropylsulfanyl)phenyl]methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-6-yl]methoxy-tris(oxidanyl)phosphanium
Formula:	C28 H31 B N5 O9 P S
SMILES:	CC(=O)CSc1ccc(cc1)[CH](O)c2ccc3CC[B-]4(O[CH]5[CH](CO[P+](O)(O)O)O[CH]([CH]5O4)n6cnc7c(N)ncnc67)c3c2
InChi:	InChI=1S/C28H31BN5O9PS/c1-15(35)12-45-19-6-4-17(5-7-19)23(36)18-3-2-16-8-9-29(20(16)10-18)42-24-21(11-40-44(37,38)39)41-28(25(24)43-29)34-14-33-22-26(30)31-13-32-27(22)34/h2-7,10,13-14,21,23-25,28,36-39H,8-9,11-12H2,1H3,(H2,30,31,32)/t21-,23+,24-,25+,28+,29+/m0/s1
Definition date:	2020-05-12
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	[(1~{R},5~{R},6~{S},8~{R})-8-(6-aminopurin-9-yl)-4'-[(~{R})-oxidanyl-[4-(2-oxidanylidenepropylsulfanyl)phenyl]methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-6-yl]methoxy-tris(oxidanyl)phosphanium

EC0

EC0
Name:	7-chloranyl-5-nitro-quinolin-8-ol
Formula:	C9 H5 Cl N2 O3
SMILES:	Oc1c(Cl)cc(c2cccnc12)[N+]([O-])=O
InChi:	InChI=1S/C9H5ClN2O3/c10-6-4-7(12(14)15)5-2-1-3-11-8(5)9(6)13/h1-4,13H
Definition date:	2019-12-10
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	7-chloranyl-5-nitro-quinolin-8-ol

EC3

EC3
Name:	1-[(5-chloranyl-8-oxidanyl-quinolin-7-yl)methyl]pyrrolidin-2-one
Formula:	C14 H13 Cl N2 O2
SMILES:	Oc1c(CN2CCCC2=O)cc(Cl)c3cccnc13
InChi:	InChI=1S/C14H13ClN2O2/c15-11-7-9(8-17-6-2-4-12(17)18)14(19)13-10(11)3-1-5-16-13/h1,3,5,7,19H,2,4,6,8H2
Definition date:	2019-12-10
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	1-[(5-chloranyl-8-oxidanyl-quinolin-7-yl)methyl]pyrrolidin-2-one

ECF

ECF
Name:	2-azanyl-6-fluoranyl-4-imidazol-1-yl-quinolin-8-ol
Formula:	C12 H9 F N4 O
SMILES:	Nc1cc(n2ccnc2)c3cc(F)cc(O)c3n1
InChi:	InChI=1S/C12H9FN4O/c13-7-3-8-9(17-2-1-15-6-17)5-11(14)16-12(8)10(18)4-7/h1-6,18H,(H2,14,16)
Definition date:	2019-12-10
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	2-azanyl-6-fluoranyl-4-imidazol-1-yl-quinolin-8-ol

ECR

ECR
Name:	2-azanyl-5-fluoranyl-4-imidazol-1-yl-quinolin-8-ol
Formula:	C12 H9 F N4 O
SMILES:	Nc1cc(n2ccnc2)c3c(F)ccc(O)c3n1
InChi:	InChI=1S/C12H9FN4O/c13-7-1-2-9(18)12-11(7)8(5-10(14)16-12)17-4-3-15-6-17/h1-6,18H,(H2,14,16)
Definition date:	2019-12-10
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	2-azanyl-5-fluoranyl-4-imidazol-1-yl-quinolin-8-ol

ECU

ECU
Name:	2-azanyl-7-bromanyl-4-imidazol-1-yl-quinolin-8-ol
Formula:	C12 H9 Br N4 O
SMILES:	Nc1cc(n2ccnc2)c3ccc(Br)c(O)c3n1
InChi:	InChI=1S/C12H9BrN4O/c13-8-2-1-7-9(17-4-3-15-6-17)5-10(14)16-11(7)12(8)18/h1-6,18H,(H2,14,16)
Definition date:	2019-12-10
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	2-azanyl-7-bromanyl-4-imidazol-1-yl-quinolin-8-ol

OM4

OM4
Name:	1,2-bis(chloranyl)-4-(3-chloranyl-4-methoxy-phenyl)benzene
Formula:	C13 H9 Cl3 O
SMILES:	COc1ccc(cc1Cl)c2ccc(Cl)c(Cl)c2
InChi:	InChI=1S/C13H9Cl3O/c1-17-13-5-3-9(7-12(13)16)8-2-4-10(14)11(15)6-8/h2-7H,1H3
Definition date:	2016-09-26
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	1,2-bis(chloranyl)-4-(3-chloranyl-4-methoxy-phenyl)benzene

OMF

OMF
Name:	1,2,3-tris(chloranyl)-5-(3-chloranyl-4-methoxy-phenyl)benzene
Formula:	C13 H8 Cl4 O
SMILES:	COc1ccc(cc1Cl)c2cc(Cl)c(Cl)c(Cl)c2
InChi:	InChI=1S/C13H8Cl4O/c1-18-12-3-2-7(4-9(12)14)8-5-10(15)13(17)11(16)6-8/h2-6H,1H3
Definition date:	2016-09-26
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	1,2,3-tris(chloranyl)-5-(3-chloranyl-4-methoxy-phenyl)benzene

KLK

KLK
Name:	~{N},3-dimethyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide
Formula:	C12 H16 N2 O2
SMILES:	CNC(=O)c1[nH]c(C)c2C(=O)CCCCc12
InChi:	InChI=1S/C12H16N2O2/c1-7-10-8(5-3-4-6-9(10)15)11(14-7)12(16)13-2/h14H,3-6H2,1-2H3,(H,13,16)
Definition date:	2019-06-05
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	~{N},3-dimethyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide

KUH

KUH
Name:	~{N}-[5-(diethylsulfamoyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide
Formula:	C22 H29 N3 O5 S
SMILES:	CCN(CC)[S](=O)(=O)c1ccc(OC)c(NC(=O)c2[nH]c(C)c3C(=O)CCCCc23)c1
InChi:	InChI=1S/C22H29N3O5S/c1-5-25(6-2)31(28,29)15-11-12-19(30-4)17(13-15)24-22(27)21-16-9-7-8-10-18(26)20(16)14(3)23-21/h11-13,23H,5-10H2,1-4H3,(H,24,27)
Definition date:	2019-06-27
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	~{N}-[5-(diethylsulfamoyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide

QBK

QBK
Name:	5-azanyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-dione
Formula:	C5 H2 N4 O2 S
SMILES:	NC1=NC(=O)C2=NC(=O)SC2=N1
InChi:	InChI=1S/C5H2N4O2S/c6-4-8-2(10)1-3(9-4)12-5(11)7-1/h(H2,6,8,10)
Definition date:	2020-06-02
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	5-azanyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-dione

5GK

5GK
Name:	5-[(4-{cis-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1H)-one
Formula:	C23 H28 F3 N3 O
SMILES:	C1(NC=C(C=C1)CN4CCN(C3CCC(c2cc(ccc2)C(F)(F)F)CC3)CC4)=O
InChi:	InChI=1S/C23H28F3N3O/c24-23(25,26)20-3-1-2-19(14-20)18-5-7-21(8-6-18)29-12-10-28(11-13-29)16-17-4-9-22(30)27-15-17/h1-4,9,14-15,18,21H,5-8,10-13,16H2,(H,27,30)/t18-,21+
Definition date:	2020-09-16
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	5-[(4-{cis-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1H)-one

QOG

QOG
Name:	5-{[(propan-2-yl)carbamoyl]amino}-1,3,4-thiadiazole-2-sulfonamide
Formula:	C6 H11 N5 O3 S2
SMILES:	C(C)(C)NC(=O)Nc1sc(S(N)(=O)=O)nn1
InChi:	InChI=1S/C6H11N5O3S2/c1-3(2)8-4(12)9-5-10-11-6(15-5)16(7,13)14/h3H,1-2H3,(H2,7,13,14)(H2,8,9,10,12)
Definition date:	2019-12-02
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	5-{[(propan-2-yl)carbamoyl]amino}-1,3,4-thiadiazole-2-sulfonamide

QPY

QPY
Name:	benzyl (2S)-2-(4-{[2-(6-amino-9H-purin-9-yl)ethyl]carbamoyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)pyrrolidine-1-carboxylate
Formula:	C24 H25 N9 O5
SMILES:	C(c1ccccc1)OC(N5C(C=4NC(=O)C(O)=C(C(=O)NCCn3cnc2c(ncnc23)N)N=4)CCC5)=O
InChi:	InChI=1S/C24H25N9O5/c25-19-17-21(28-12-27-19)32(13-29-17)10-8-26-22(35)16-18(34)23(36)31-20(30-16)15-7-4-9-33(15)24(37)38-11-14-5-2-1-3-6-14/h1-3,5-6,12-13,15,34H,4,7-11H2,(H,26,35)(H2,25,27,28)(H,30,31,36)/t15-/m0/s1
Definition date:	2019-12-06
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	benzyl (2S)-2-(4-{[2-(6-amino-9H-purin-9-yl)ethyl]carbamoyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)pyrrolidine-1-carboxylate

QQP

QQP
Name:	N-[2-(6-amino-9H-purin-9-yl)ethyl]-5-hydroxy-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide
Formula:	C19 H15 F3 N8 O3
SMILES:	n3cn(CCNC(C2=C(C(NC(c1ccccc1C(F)(F)F)=N2)=O)O)=O)c4c3c(N)ncn4
InChi:	InChI=1S/C19H15F3N8O3/c20-19(21,22)10-4-2-1-3-9(10)15-28-11(13(31)18(33)29-15)17(32)24-5-6-30-8-27-12-14(23)25-7-26-16(12)30/h1-4,7-8,31H,5-6H2,(H,24,32)(H2,23,25,26)(H,28,29,33)
Definition date:	2019-12-09
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	N-[2-(6-amino-9H-purin-9-yl)ethyl]-5-hydroxy-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide

QRV

QRV
Name:	2-amino-9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-7-{2-[(2-hydroxyethyl)(phenyl)amino]ethyl}-6-oxo-6,9-dihydro-1H-purin-7-ium
Formula:	C20 H27 F N6 O8 P
SMILES:	c3n(C1C(C(C(COP(O)(O)=O)O1)O)F)c2c(C(NC(N)=N2)=O)[n+]3CCN(c4ccccc4)CCO
InChi:	InChI=1S/C20H26FN6O8P/c21-14-16(29)13(10-34-36(31,32)33)35-19(14)27-11-26(15-17(27)23-20(22)24-18(15)30)7-6-25(8-9-28)12-4-2-1-3-5-12/h1-5,11,13-14,16,19,28-29H,6-10H2,(H4-,22,23,24,30,31,32,33)/p+1/t13-,14+,16-,19-/m1/s1
Definition date:	2019-12-13
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	2-amino-9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-7-{2-[(2-hydroxyethyl)(phenyl)amino]ethyl}-6-oxo-6,9-dihydro-1H-purin-7-ium

QWN

QWN
Name:	6-bromanyl-5-chloranyl-1~{H}-[1,2,3]triazolo[4,5-b]pyridine
Formula:	C5 H2 Br Cl N4
SMILES:	Clc1nc2nn[nH]c2cc1Br
InChi:	InChI=1S/C5H2BrClN4/c6-2-1-3-5(8-4(2)7)10-11-9-3/h1H,(H,8,9,10,11)
Definition date:	2020-08-14
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	6-bromanyl-5-chloranyl-1~{H}-[1,2,3]triazolo[4,5-b]pyridine

QWW

QWW
Name:	5,6,7-tris(bromanyl)-1~{H}-[1,2,3]triazolo[4,5-b]pyridine
Formula:	C5 H Br3 N4
SMILES:	Brc1nc2nn[nH]c2c(Br)c1Br
InChi:	InChI=1S/C5HBr3N4/c6-1-2(7)4(8)9-5-3(1)10-12-11-5/h(H,9,10,11,12)
Definition date:	2020-08-17
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	5,6,7-tris(bromanyl)-1~{H}-[1,2,3]triazolo[4,5-b]pyridine

QX2

QX2
Name:	5,6,7-tris(bromanyl)-1~{H}-imidazo[4,5-b]pyridine
Formula:	C6 H2 Br3 N3
SMILES:	Brc1nc2nc[nH]c2c(Br)c1Br
InChi:	InChI=1S/C6H2Br3N3/c7-2-3(8)5(9)12-6-4(2)10-1-11-6/h1H,(H,10,11,12)
Definition date:	2020-08-18
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	5,6,7-tris(bromanyl)-1~{H}-imidazo[4,5-b]pyridine

RJH

RJH
Name:	1-(3-chloranyl-4-methoxy-phenyl)-3-[7-[(3~{S})-3-(methoxymethyl)morpholin-4-yl]-2-methyl-pyrazolo[1,5-a]pyrimidin-6-yl]urea
Formula:	C21 H25 Cl N6 O4
SMILES:	COC[CH]1COCCN1c2n3nc(C)cc3ncc2NC(=O)Nc4ccc(OC)c(Cl)c4
InChi:	InChI=1S/C21H25ClN6O4/c1-13-8-19-23-10-17(25-21(29)24-14-4-5-18(31-3)16(22)9-14)20(28(19)26-13)27-6-7-32-12-15(27)11-30-2/h4-5,8-10,15H,6-7,11-12H2,1-3H3,(H2,24,25,29)/t15-/m0/s1
Definition date:	2020-09-30
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	1-(3-chloranyl-4-methoxy-phenyl)-3-[7-[(3~{S})-3-(methoxymethyl)morpholin-4-yl]-2-methyl-pyrazolo[1,5-a]pyrimidin-6-yl]urea

RJK

RJK
Name:	1-[4-[4-(aminomethyl)pyrazol-1-yl]-3-chloranyl-phenyl]-3-[(3~{R})-6-bromanyl-3,4-dihydro-2~{H}-chromen-3-yl]urea
Formula:	C20 H19 Br Cl N5 O2
SMILES:	NCc1cnn(c1)c2ccc(NC(=O)N[CH]3COc4ccc(Br)cc4C3)cc2Cl
InChi:	InChI=1S/C20H19BrClN5O2/c21-14-1-4-19-13(5-14)6-16(11-29-19)26-20(28)25-15-2-3-18(17(22)7-15)27-10-12(8-23)9-24-27/h1-5,7,9-10,16H,6,8,11,23H2,(H2,25,26,28)/t16-/m1/s1
Definition date:	2020-09-30
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	1-[4-[4-(aminomethyl)pyrazol-1-yl]-3-chloranyl-phenyl]-3-[(3~{R})-6-bromanyl-3,4-dihydro-2~{H}-chromen-3-yl]urea

P5E

P5E
Name:	[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl] phosphono hydrogen phosphate
Formula:	C9 H15 N2 O14 P3 S
SMILES:	O[CH]1[CH](O)[CH](O[CH]1CO[P](S)(=O)O[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
InChi:	InChI=1S/C9H15N2O14P3S/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(23-8)3-22-28(21,29)25-27(19,20)24-26(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,29)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-,28+/m1/s1
Definition date:	2020-04-15
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl] phosphono hydrogen phosphate

P72

P72
Name:	4-oxidanylbenzenecarboximidamide
Formula:	C7 H8 N2 O
SMILES:	NC(=N)c1ccc(O)cc1
InChi:	InChI=1S/C7H8N2O/c8-7(9)5-1-3-6(10)4-2-5/h1-4,10H,(H3,8,9)
Definition date:	2020-04-16
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	4-oxidanylbenzenecarboximidamide

S9Q

S9Q
Name:	5-chloranyl-4-[3-oxidanylidene-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1~{H}-pyridazin-6-one
Formula:	C16 H14 Cl F3 N4 O2
SMILES:	FC(F)(F)c1ccccc1CN2CCN(CC2=O)C3=C(Cl)C(=O)NN=C3
InChi:	InChI=1S/C16H14ClF3N4O2/c17-14-12(7-21-22-15(14)26)23-5-6-24(13(25)9-23)8-10-3-1-2-4-11(10)16(18,19)20/h1-4,7H,5-6,8-9H2,(H,22,26)
Definition date:	2020-11-13
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	5-chloranyl-4-[3-oxidanylidene-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1~{H}-pyridazin-6-one

SJG

SJG
Name:	ethyl ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate
Formula:	C28 H30 N6 O3
SMILES:	CCOC(=O)Nc1cccc2c(Oc3ncccc3c4ccnc(N[CH]5CCCNC5)n4)c(C)ccc12
InChi:	InChI=1S/C28H30N6O3/c1-3-36-28(35)34-23-10-4-8-21-20(23)12-11-18(2)25(21)37-26-22(9-6-15-30-26)24-13-16-31-27(33-24)32-19-7-5-14-29-17-19/h4,6,8-13,15-16,19,29H,3,5,7,14,17H2,1-2H3,(H,34,35)(H,31,32,33)/t19-/m0/s1
Definition date:	2020-03-10
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	ethyl ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate

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