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CHL

CHL
Name:	CHLOROPHYLL B
Formula:	C55 H70 Mg N4 O6
SMILES:	CCC1=C(C=O)C2=Cc3n4c(C=C5[CH](C)[CH](CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)C6=[N+]5[Mg]47[N]8C(=CC1=[N+]27)C(=C9C(=O)[CH](C(=O)OC)C6=C89)C)c(C)c3C=C
InChi:	InChI=1S/C55H71N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42
Definition date:	1999-07-08
Last modified:	2019-04-16

J9G

J9G
Name:	3-benzyl-6-[(2,4-difluorophenyl)amino]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
Formula:	C19 H14 F2 N4 O
SMILES:	c4c(Nc1cnc2c(c1)NC(N2Cc3ccccc3)=O)c(cc(c4)F)F
InChi:	InChI=1S/C19H14F2N4O/c20-13-6-7-16(15(21)8-13)23-14-9-17-18(22-10-14)25(19(26)24-17)11-12-4-2-1-3-5-12/h1-10,23H,11H2,(H,24,26)
Definition date:	2018-08-24
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	3-benzyl-6-[(2,4-difluorophenyl)amino]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one

HLV

HLV
Name:	2-[(dibenzo[b,d]furan-2-yl)oxy]ethan-1-amine
Formula:	C14 H13 N O2
SMILES:	c12cc(ccc1oc3c2cccc3)OCCN
InChi:	InChI=1S/C14H13NO2/c15-7-8-16-10-5-6-14-12(9-10)11-3-1-2-4-13(11)17-14/h1-6,9H,7-8,15H2
Definition date:	2018-07-12
Last modified:	2019-04-05
Release date:	2019-04-10
Identifier:	2-[(dibenzo[b,d]furan-2-yl)oxy]ethan-1-amine

HMJ

HMJ
Name:	2-[(dibenzo[b,d]furan-2-yl)oxy]-N,N-dimethylethan-1-amine
Formula:	C16 H17 N O2
SMILES:	c1c(OCCN(C)C)ccc3c1c2c(cccc2)o3
InChi:	InChI=1S/C16H17NO2/c1-17(2)9-10-18-12-7-8-16-14(11-12)13-5-3-4-6-15(13)19-16/h3-8,11H,9-10H2,1-2H3
Definition date:	2018-07-12
Last modified:	2019-04-05
Release date:	2019-04-10
Identifier:	2-[(dibenzo[b,d]furan-2-yl)oxy]-N,N-dimethylethan-1-amine

VV6

VV6
Name:	[[[[bis(oxidanyl)-[tris(oxidanyl)vanadiooxy]vanadio]oxy-bis(oxidanyl)vanadio]-oxidanylidene-vanadio]oxy-oxidanyl-vanadio]oxy-tetrakis(oxidanyl)vanadium
Formula:	H12 O17 V6
SMILES:	O[V](O)O[V](O)(O)O[V](O)(O)O.O[V](O[V]=O)O[V](O)(O)(O)O
InChi:	InChI=1S/12H2O.5O.6V/h12*1H2
Definition date:	2018-10-13
Last modified:	2019-03-29
Release date:	2019-04-03
Identifier:	[[[[bis(oxidanyl)-[tris(oxidanyl)vanadiooxy]vanadio]oxy-bis(oxidanyl)vanadio]-oxidanylidene-vanadio]oxy-oxidanyl-vanadio]oxy-tetrakis(oxidanyl)vanadium

GDW

GDW
Name:	5-[2-(diethylamino)ethyl]-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione
Formula:	C21 H24 N2 O2
SMILES:	CCN(CC)CCn1c2CCCC(=O)c2c3C(=O)c4ccccc4c13
InChi:	InChI=1S/C21H24N2O2/c1-3-22(4-2)12-13-23-16-10-7-11-17(24)18(16)19-20(23)14-8-5-6-9-15(14)21(19)25/h5-6,8-9H,3-4,7,10-13H2,1-2H3
Definition date:	2018-09-12
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	5-[2-(diethylamino)ethyl]-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione

FXB

FXB
Name:	5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione
Formula:	C21 H21 N O3
SMILES:	CC(C)n1c2CCCC(=O)c2c3C(=O)c4cccc(OCC=C)c4c13
InChi:	InChI=1S/C21H21NO3/c1-4-11-25-16-10-5-7-13-17(16)20-19(21(13)24)18-14(22(20)12(2)3)8-6-9-15(18)23/h4-5,7,10,12H,1,6,8-9,11H2,2-3H3
Definition date:	2018-08-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione

H4D

H4D
Name:	3-borono-5-{[(thiophen-2-yl)acetyl]amino}benzoic acid
Formula:	C13 H12 B N O5 S
SMILES:	N(C(=O)Cc1cccs1)c2cc(cc(c2)C(=O)O)B(O)O
InChi:	InChI=1S/C13H12BNO5S/c16-12(7-11-2-1-3-21-11)15-10-5-8(13(17)18)4-9(6-10)14(19)20/h1-6,19-20H,7H2,(H,15,16)(H,17,18)
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	3-borono-5-{[(thiophen-2-yl)acetyl]amino}benzoic acid

H68

H68
Name:	Tetrahydrocolumbamine
Formula:	C20 H23 N O4
SMILES:	COc1cc2CCN3Cc4c(C[CH]3c2cc1O)ccc(OC)c4OC
InChi:	InChI=1S/C20H23NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,9-10,16,22H,6-8,11H2,1-3H3/t16-/m0/s1
Definition date:	2018-11-16
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	(13~{a}~{S})-3,9,10-trimethoxy-6,8,13,13~{a}-tetrahydro-5~{H}-isoquinolino[2,1-b]isoquinolin-2-ol

9EL

9EL
Name:	(2S,3R)-2-amino-9-methoxy-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-naphtho[2,1-b]pyran-8-carbonitrile
Formula:	C21 H15 F3 N2 O2
SMILES:	c4(F)c(C3Oc2c(c1cc(OC)c(C#N)cc1cc2)CC3N)cc(c(c4)F)F
InChi:	InChI=1S/C21H15F3N2O2/c1-27-20-7-12-10(4-11(20)9-25)2-3-19-13(12)6-18(26)21(28-19)14-5-16(23)17(24)8-15(14)22/h2-5,7-8,18,21H,6,26H2,1H3/t18-,21+/m0/s1
Definition date:	2018-03-28
Last modified:	2019-03-15
Release date:	2019-03-20
Identifier:	(2S,3R)-2-amino-9-methoxy-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-naphtho[2,1-b]pyran-8-carbonitrile

E6N

E6N
Name:	(4~{a}~{S},8~{a}~{S})-4-[4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl]-2-[1-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperidin-4-yl]-4~{a},5,6,7,8,8~{a}-hexahydrophthalazin-1-one
Formula:	C34 H37 N7 O6
SMILES:	COc1ccccc1COc2cc(ccc2OC)C3=NN(C4CCN(CC4)c5ccc6ncc(n6n5)[N+]([O-])=O)C(=O)[CH]7CCCC[CH]37
InChi:	InChI=1S/C34H37N7O6/c1-45-27-10-6-3-7-23(27)21-47-29-19-22(11-12-28(29)46-2)33-25-8-4-5-9-26(25)34(42)39(37-33)24-15-17-38(18-16-24)31-14-13-30-35-20-32(41(43)44)40(30)36-31/h3,6-7,10-14,19-20,24-26H,4-5,8-9,15-18,21H2,1-2H3/t25-,26-/m0/s1
Definition date:	2018-02-20
Last modified:	2019-03-15
Release date:	2019-03-20
Identifier:	(4~{a}~{S},8~{a}~{S})-4-[4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl]-2-[1-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperidin-4-yl]-4~{a},5,6,7,8,8~{a}-hexahydrophthalazin-1-one

96S

96S
Name:	1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2-chloro-4-methoxyphenyl)methyl]-3-ethyl-1,3-dihydro-2H-imidazol-2-one
Formula:	C20 H19 Cl2 N5 O2
SMILES:	Clc4c(CC=3N(C(=O)N(Cc2nc1c(nc(cc1)Cl)n2)C=3)CC)ccc(c4)OC
InChi:	InChI=1S/C20H19Cl2N5O2/c1-3-27-13(8-12-4-5-14(29-2)9-15(12)21)10-26(20(27)28)11-18-23-16-6-7-17(22)24-19(16)25-18/h4-7,9-10H,3,8,11H2,1-2H3,(H,23,24,25)
Definition date:	2017-04-04
Last modified:	2019-03-08
Release date:	2019-03-13
Identifier:	1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2-chloro-4-methoxyphenyl)methyl]-3-ethyl-1,3-dihydro-2H-imidazol-2-one

X27

X27
Name:	2-{[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-5-methyl-11-(propan-2-yl)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one
Formula:	C27 H33 N7 O2
SMILES:	O=C2N(c1cnc(nc1N(c3c2cccc3)C(C)C)Nc4ccc(c(c4)OC)N5CCN(CC5)C)C
InChi:	InChI=1S/C27H33N7O2/c1-18(2)34-21-9-7-6-8-20(21)26(35)32(4)23-17-28-27(30-25(23)34)29-19-10-11-22(24(16-19)36-5)33-14-12-31(3)13-15-33/h6-11,16-18H,12-15H2,1-5H3,(H,28,29,30)
Definition date:	2018-02-26
Last modified:	2019-03-01
Release date:	2019-03-06
Identifier:	2-{[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-5-methyl-11-(propan-2-yl)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one

GUK

GUK
Name:	6-chloranyl-3-(2~{H}-indazol-5-yl)-~{N}-propan-2-yl-imidazo[1,2-b]pyridazin-8-amine
Formula:	C16 H15 Cl N6
SMILES:	CC(C)Nc1cc(Cl)nn2c(cnc12)c3ccc4n[nH]cc4c3
InChi:	InChI=1S/C16H15ClN6/c1-9(2)20-13-6-15(17)22-23-14(8-18-16(13)23)10-3-4-12-11(5-10)7-19-21-12/h3-9,20H,1-2H3,(H,19,21)
Definition date:	2018-10-10
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	6-chloranyl-3-(2~{H}-indazol-5-yl)-~{N}-propan-2-yl-imidazo[1,2-b]pyridazin-8-amine

GXK

GXK
Name:	6-chloranyl-~{N}-(cyclopropylmethyl)-3-(2~{H}-indazol-5-yl)imidazo[1,2-b]pyridazin-8-amine
Formula:	C17 H15 Cl N6
SMILES:	Clc1cc(NCC2CC2)c3ncc(n3n1)c4ccc5n[nH]cc5c4
InChi:	InChI=1S/C17H15ClN6/c18-16-6-14(19-7-10-1-2-10)17-20-9-15(24(17)23-16)11-3-4-13-12(5-11)8-21-22-13/h3-6,8-10,19H,1-2,7H2,(H,21,22)
Definition date:	2018-10-16
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	6-chloranyl-~{N}-(cyclopropylmethyl)-3-(2~{H}-indazol-5-yl)imidazo[1,2-b]pyridazin-8-amine

J8A

J8A
Name:	3-{2-[(cyclopropanecarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-N-{4-[(piperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide
Formula:	C29 H27 F3 N6 O2 S
SMILES:	c1cc(cc(c1)C(Nc3ccc(CN2CCNCC2)c(c3)C(F)(F)F)=O)c5ccc6nc(NC(=O)C4CC4)sc6n5
InChi:	InChI=1S/C29H27F3N6O2S/c30-29(31,32)22-15-21(7-6-20(22)16-38-12-10-33-11-13-38)34-26(40)19-3-1-2-18(14-19)23-8-9-24-27(35-23)41-28(36-24)37-25(39)17-4-5-17/h1-3,6-9,14-15,17,33H,4-5,10-13,16H2,(H,34,40)(H,36,37,39)
Definition date:	2018-08-22
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	3-{2-[(cyclopropanecarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-N-{4-[(piperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide

ZOT

ZOT
Name:	2-(3-chloranylbenzo[b][1]benzothiepin-5-yl)oxy-N,N-dimethyl-ethanamine
Formula:	C18 H18 Cl N O S
SMILES:	CN(C)CCOC1=Cc2ccccc2Sc3ccc(Cl)cc13
InChi:	InChI=1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3
Definition date:	2017-08-17
Last modified:	2019-02-08
Release date:	2019-02-13
Identifier:	2-(3-chloranylbenzo[b][1]benzothiepin-5-yl)oxy-~{N},~{N}-dimethyl-ethanamine

HO7

HO7
Name:	(6S)-6-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
Formula:	C11 H11 Br N2 S
SMILES:	c3c(C2CN1CCSC1=N2)ccc(c3)Br
InChi:	InChI=1S/C11H11BrN2S/c12-9-3-1-8(2-4-9)10-7-14-5-6-15-11(14)13-10/h1-4,10H,5-7H2/t10-/m1/s1
Definition date:	2018-07-16
Last modified:	2019-02-08
Release date:	2019-02-13
Identifier:	(6S)-6-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

JE7

JE7
Name:	5-[(2,3-dichlorophenyl)sulfanyl]-3H-imidazo[4,5-b]pyridin-2-amine
Formula:	C12 H8 Cl2 N4 S
SMILES:	c12nc(ccc1nc(n2)N)Sc3c(Cl)c(Cl)ccc3
InChi:	InChI=1S/C12H8Cl2N4S/c13-6-2-1-3-8(10(6)14)19-9-5-4-7-11(17-9)18-12(15)16-7/h1-5H,(H3,15,16,17,18)
Definition date:	2018-09-05
Last modified:	2019-02-08
Release date:	2019-02-13
Identifier:	5-[(2,3-dichlorophenyl)sulfanyl]-3H-imidazo[4,5-b]pyridin-2-amine

JED

JED
Name:	3-(4-bromophenyl)-6-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
Formula:	C20 H14 Br N3 O2
SMILES:	c13c(nnc1c2ccc(Br)cc2)nc(cc3C(O)=O)c4ccc(C)cc4
InChi:	InChI=1S/C20H14BrN3O2/c1-11-2-4-12(5-3-11)16-10-15(20(25)26)17-18(23-24-19(17)22-16)13-6-8-14(21)9-7-13/h2-10H,1H3,(H,25,26)(H,22,23,24)
Definition date:	2018-09-05
Last modified:	2019-02-08
Release date:	2019-02-13
Identifier:	3-(4-bromophenyl)-6-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

JXP

JXP
Name:	7-[(4-chloro-3'-fluoro[1,1'-biphenyl]-3-yl)methoxy]-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
Formula:	C18 H13 Cl F N5 O
SMILES:	c1(cccc(c1)F)c2cc(c(cc2)Cl)COc4cc(nc3c4nnn3)N
InChi:	InChI=1S/C18H13ClFN5O/c19-14-5-4-11(10-2-1-3-13(20)7-10)6-12(14)9-26-15-8-16(21)22-18-17(15)23-25-24-18/h1-8H,9H2,(H3,21,22,23,24,25)
Definition date:	2018-10-09
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	7-[(4-chloro-3'-fluoro[1,1'-biphenyl]-3-yl)methoxy]-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine

JXS

JXS
Name:	7-{[3-(1-methyl-1H-pyrazol-3-yl)phenyl]methoxy}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
Formula:	C16 H15 N7 O
SMILES:	c3c(COc2cc(nc1nnnc12)N)cccc3c4ccn(C)n4
InChi:	InChI=1S/C16H15N7O/c1-23-6-5-12(21-23)11-4-2-3-10(7-11)9-24-13-8-14(17)18-16-15(13)19-22-20-16/h2-8H,9H2,1H3,(H3,17,18,19,20,22)
Definition date:	2018-10-09
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	7-{[3-(1-methyl-1H-pyrazol-3-yl)phenyl]methoxy}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine

4P2

4P2
Name:	(3aR,7S,10S,12R,24aR)-7-cyclopentyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-5,8-dioxo-1,2,3,3a,5,6,7,8,11,12,20,21,22,23,24,24a-hexadecahydro-10H-9,12-methanocyclopenta[18,19][1,10,3,6]dioxadiazacyclononadecino[12,11-b]quinoline-10-carboxamide
Formula:	C41 H53 N5 O8 S
SMILES:	O=S(=O)(NC(=O)C7(NC(=O)C1N2C(=O)C(NC(=O)OC5CCCC5CCCCCc3nc4c(cc3OC(C1)C2)cccc4)C6CCCC6)CC7/C=C)C8CC8
InChi:	InChI=1S/C41H53N5O8S/c1-2-28-23-41(28,39(49)45-55(51,52)30-19-20-30)44-37(47)33-22-29-24-46(33)38(48)36(26-12-6-7-13-26)43-40(50)54-34-18-10-15-25(34)11-4-3-5-17-32-35(53-29)21-27-14-8-9-16-31(27)42-32/h2,8-9,14,16,21,25-26,28-30,33-34,36H,1,3-7,10-13,15,17-20,22-24H2,(H,43,50)(H,44,47)(H,45,49)/t25-,28-,29-,33+,34-,36+,41-/m1/s1
Definition date:	2013-11-22
Last modified:	2019-01-25
Release date:	2019-01-30
Identifier:	(3aR,7S,10S,12R,24aR)-7-cyclopentyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-5,8-dioxo-1,2,3,3a,5,6,7,8,11,12,20,21,22,23,24,24a-hexadecahydro-10H-9,12-methanocyclopenta[18,19][1,10,3,6]dioxadiazacyclononadecino[12,11-b]quinoline-10-carboxamide

AQ0

AQ0
Name:	2-(cis-4-azidocyclohexyl)-4H-naphtho[1,2-b]pyran-4-one
Formula:	C19 H17 N3 O2
SMILES:	c4c3c(c2OC(C1CCC(CC1)N=[N+]=[N-])=CC(=O)c2cc3)ccc4
InChi:	InChI=1S/C19H17N3O2/c20-22-21-14-8-5-13(6-9-14)18-11-17(23)16-10-7-12-3-1-2-4-15(12)19(16)24-18/h1-4,7,10-11,13-14H,5-6,8-9H2/t13-,14+
Definition date:	2018-11-15
Last modified:	2019-01-25
Release date:	2019-01-30
Identifier:	2-(cis-4-azidocyclohexyl)-4H-naphtho[1,2-b]pyran-4-one

JYG

JYG
Name:	3-(1-methylcyclopropyl)-2-[(1-methylcyclopropyl)amino]-8-[(6R)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3H)-one
Formula:	C23 H25 N5 O2
SMILES:	CC1NC(c2c1nc(c2)c3c5c(ccc3)C(N(C(NC4(CC4)C)=N5)C6(CC6)C)=O)=O
InChi:	InChI=1S/C23H25N5O2/c1-12-17-15(19(29)24-12)11-16(25-17)13-5-4-6-14-18(13)26-21(27-22(2)7-8-22)28(20(14)30)23(3)9-10-23/h4-6,11-12,25H,7-10H2,1-3H3,(H,24,29)(H,26,27)/t12-/m1/s1
Definition date:	2018-10-19
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	3-(1-methylcyclopropyl)-2-[(1-methylcyclopropyl)amino]-8-[(6R)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3H)-one

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