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9FC

9FC
Name:	6-{[(1R,2S)-2-aminocyclohexyl]amino}-5-cyano-2-[(3-methylphenyl)amino]pyridine-3-carboxamide
Formula:	C20 H24 N6 O
SMILES:	c1(C(N)=O)cc(c(nc1Nc2cc(C)ccc2)NC3CCCCC3N)C#N
InChi:	InChI=1S/C20H24N6O/c1-12-5-4-6-14(9-12)24-20-15(18(23)27)10-13(11-21)19(26-20)25-17-8-3-2-7-16(17)22/h4-6,9-10,16-17H,2-3,7-8,22H2,1H3,(H2,23,27)(H2,24,25,26)/t16-,17+/m0/s1
Definition date:	2018-04-04
Last modified:	2019-06-07
Release date:	2019-06-12
Identifier:	6-{[(1R,2S)-2-aminocyclohexyl]amino}-5-cyano-2-[(3-methylphenyl)amino]pyridine-3-carboxamide

9JO

9JO
Name:	N-{trans-4-[3-(2-chlorophenyl)-7-{[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]cyclohexyl}propanamide
Formula:	C33 H41 Cl N8 O2
SMILES:	c12nc(ncc1CN(C(N2C3CCC(CC3)NC(CC)=O)=O)c4ccccc4Cl)Nc5ccc(c(C)c5)N6CCN(C)CC6
InChi:	InChI=1S/C33H41ClN8O2/c1-4-30(43)36-24-9-12-26(13-10-24)42-31-23(21-41(33(42)44)29-8-6-5-7-27(29)34)20-35-32(38-31)37-25-11-14-28(22(2)19-25)40-17-15-39(3)16-18-40/h5-8,11,14,19-20,24,26H,4,9-10,12-13,15-18,21H2,1-3H3,(H,36,43)(H,35,37,38)/t24-,26-
Definition date:	2018-05-11
Last modified:	2019-06-07
Release date:	2019-06-12
Identifier:	N-{trans-4-[3-(2-chlorophenyl)-7-{[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]cyclohexyl}propanamide

9RL

9RL
Name:	(2R,3S)-4-(4-chlorophenyl)-2-phenyl-3-(1H-1,2,4-triazol-1-yl)butan-2-ol
Formula:	C18 H18 Cl N3 O
SMILES:	C(C(C(C)(O)c1ccccc1)n2cncn2)c3ccc(cc3)Cl
InChi:	InChI=1S/C18H18ClN3O/c1-18(23,15-5-3-2-4-6-15)17(22-13-20-12-21-22)11-14-7-9-16(19)10-8-14/h2-10,12-13,17,23H,11H2,1H3/t17-,18+/m0/s1
Definition date:	2018-07-04
Last modified:	2019-06-07
Release date:	2019-06-12
Identifier:	(2R,3S)-4-(4-chlorophenyl)-2-phenyl-3-(1H-1,2,4-triazol-1-yl)butan-2-ol

HJN

HJN
Name:	[(2~{R},3~{S},4~{S})-5-[5-[(2~{Z})-3,7-dimethylocta-2,6-dienyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-1~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate
Formula:	C27 H39 N4 O9 P
SMILES:	CC(C)=CCCC(C)=CCN1c2cc(C)c(C)cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)C3=C1C(=O)NC(=O)N3
InChi:	InChI=1S/C27H39N4O9P/c1-15(2)7-6-8-16(3)9-10-30-19-11-17(4)18(5)12-20(19)31(25-23(30)26(35)29-27(36)28-25)13-21(32)24(34)22(33)14-40-41(37,38)39/h7,9,11-12,21-22,24,32-34H,6,8,10,13-14H2,1-5H3,(H2,37,38,39)(H2,28,29,35,36)/b16-9-/t21-,22+,24-/m0/s1
Definition date:	2019-02-01
Last modified:	2019-05-30
Release date:	2019-06-05
Identifier:	[(2~{R},3~{S},4~{S})-5-[5-[(2~{Z})-3,7-dimethylocta-2,6-dienyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-1~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate

JBJ

JBJ
Name:	(2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{1-oxo-6-[4-(piperazin-1-yl)phenyl]-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide
Formula:	C29 H26 F N5 O3 S
SMILES:	C(C(N4C(c1c(ccc(c1)c3ccc(N2CCNCC2)cc3)C4)=O)c5c(ccc(c5)F)O)(Nc6nccs6)=O
InChi:	InChI=1S/C29H26FN5O3S/c30-21-5-8-25(36)24(16-21)26(27(37)33-29-32-11-14-39-29)35-17-20-2-1-19(15-23(20)28(35)38)18-3-6-22(7-4-18)34-12-9-31-10-13-34/h1-8,11,14-16,26,31,36H,9-10,12-13,17H2,(H,32,33,37)/t26-/m1/s1
Definition date:	2017-06-28
Last modified:	2019-05-30
Release date:	2019-06-05
Identifier:	(2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{1-oxo-6-[4-(piperazin-1-yl)phenyl]-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide

JCY

JCY
Name:	1-(5-{4-fluoro-2-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethoxy]phenyl}-1-methyl-1H-indazol-3-yl)-N,N-dimethylmethanamine
Formula:	C25 H30 F N5 O
SMILES:	c1c4c(cc(c1)c2c(cc(cc2)F)OCCc3c(n(C)nc3C)C)c(CN(C)C)nn4C
InChi:	InChI=1S/C25H30FN5O/c1-16-20(17(2)30(5)27-16)11-12-32-25-14-19(26)8-9-21(25)18-7-10-24-22(13-18)23(15-29(3)4)28-31(24)6/h7-10,13-14H,11-12,15H2,1-6H3
Definition date:	2018-08-30
Last modified:	2019-05-30
Release date:	2019-06-05
Identifier:	1-(5-{4-fluoro-2-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethoxy]phenyl}-1-methyl-1H-indazol-3-yl)-N,N-dimethylmethanamine

BQC

BQC
Name:	5-(4-oxo-2-phenyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6(4H)-carbonyl)-1,3-dihydro-2H-2lambda~6~,1-benzothiazole-2,2-dione
Formula:	C21 H18 N4 O4 S
SMILES:	S2(=O)(Nc1ccc(cc1C2)C(=O)N3CCC4=C(C3)C(=O)N=C(N4)c5ccccc5)=O
InChi:	InChI=1S/C21H18N4O4S/c26-20-16-11-25(9-8-18(16)22-19(23-20)13-4-2-1-3-5-13)21(27)14-6-7-17-15(10-14)12-30(28,29)24-17/h1-7,10,24H,8-9,11-12H2,(H,22,23,26)
Definition date:	2019-02-28
Last modified:	2019-05-30
Release date:	2019-06-05
Identifier:	5-(4-oxo-2-phenyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6(4H)-carbonyl)-1,3-dihydro-2H-2lambda~6~,1-benzothiazole-2,2-dione

BQF

BQF
Name:	4-(5-oxo-1,5-dihydro-2H-[1]benzopyrano[3,4-c]pyridine-3(4H)-carbonyl)benzoic acid
Formula:	C20 H15 N O5
SMILES:	C(O)(c1ccc(cc1)C(=O)N4CC3=C(c2c(cccc2)OC3=O)CC4)=O
InChi:	InChI=1S/C20H15NO5/c22-18(12-5-7-13(8-6-12)19(23)24)21-10-9-14-15-3-1-2-4-17(15)26-20(25)16(14)11-21/h1-8H,9-11H2,(H,23,24)
Definition date:	2019-02-28
Last modified:	2019-05-30
Release date:	2019-06-05
Identifier:	4-(5-oxo-1,5-dihydro-2H-[1]benzopyrano[3,4-c]pyridine-3(4H)-carbonyl)benzoic acid

FHK

FHK
Name:	4-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]sulfonylamino]benzoic acid
Formula:	C21 H14 N2 O6 S
SMILES:	OC(=O)c1ccc(N[S](=O)(=O)c2ccc(cc2)N3C(=O)c4ccccc4C3=O)cc1
InChi:	InChI=1S/C21H14N2O6S/c24-19-17-3-1-2-4-18(17)20(25)23(19)15-9-11-16(12-10-15)30(28,29)22-14-7-5-13(6-8-14)21(26)27/h1-12,22H,(H,26,27)
Definition date:	2018-07-06
Last modified:	2019-05-30
Release date:	2019-06-05
Identifier:	4-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]sulfonylamino]benzoic acid

TC
Name:	4-azanyl-1-[(2~{R},3~{R},4~{S})-3-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-oxolan-2-yl]pyrimidin-2-one
Formula:	C8 H11 N3 O7 P
SMILES:	NC1=NC(=O)N(C=C1)[CH]2OC[CH](O[P](O)(=O)=O)[CH]2O
InChi:	InChI=1S/C8H11N3O7P/c9-5-1-2-11(8(13)10-5)7-6(12)4(3-17-7)18-19(14,15)16/h1-2,4,6-7,12H,3H2,(H2,9,10,13)(H,14,15,16)/t4-,6+,7+/m0/s1
Definition date:	2018-10-23
Last modified:	2019-05-30
Release date:	2019-06-05
Identifier:	4-azanyl-1-[(2~{R},3~{R},4~{S})-3-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-oxolan-2-yl]pyrimidin-2-one

TG
Name:	2-azanyl-9-[(2~{R},3~{R},4~{S})-3-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-oxolan-2-yl]-1~{H}-purin-6-one
Formula:	C9 H11 N5 O7 P
SMILES:	NC1=Nc2n(cnc2C(=O)N1)[CH]3OC[CH](O[P](O)(=O)=O)[CH]3O
InChi:	InChI=1S/C9H11N5O7P/c10-9-12-6-4(7(16)13-9)11-2-14(6)8-5(15)3(1-20-8)21-22(17,18)19/h2-3,5,8,15H,1H2,(H,17,18,19)(H3,10,12,13,16)/t3-,5+,8+/m0/s1
Definition date:	2018-10-23
Last modified:	2019-05-30
Release date:	2019-06-05
Identifier:	2-azanyl-9-[(2~{R},3~{R},4~{S})-3-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-oxolan-2-yl]-1~{H}-purin-6-one

9FX

9FX
Name:	3-fluoro-N'-[(E)-{5-[(pyrimidin-2-yl)sulfanyl]furan-2-yl}methylidene]benzohydrazide
Formula:	C16 H11 F N4 O2 S
SMILES:	c1(ncccn1)Sc2oc(cc2)C=NNC(c3cccc(c3)F)=O
InChi:	InChI=1S/C16H11FN4O2S/c17-12-4-1-3-11(9-12)15(22)21-20-10-13-5-6-14(23-13)24-16-18-7-2-8-19-16/h1-10H,(H,21,22)/b20-10+
Definition date:	2018-04-11
Last modified:	2019-05-30
Release date:	2019-06-05
Identifier:	3-fluoro-N'-[(E)-{5-[(pyrimidin-2-yl)sulfanyl]furan-2-yl}methylidene]benzohydrazide

GHM

GHM
Name:	benzene-1,2,4-tricarboxylic acid
Formula:	C9 H6 O6
SMILES:	c1cc(cc(c1C(O)=O)C(O)=O)C(O)=O
InChi:	InChI=1S/C9H6O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)
Definition date:	2018-05-22
Last modified:	2019-05-24
Release date:	2019-05-29
Identifier:	benzene-1,2,4-tricarboxylic acid

GJP

GJP
Name:	4-hydroxyquinoline-3-carboxylic acid
Formula:	C10 H7 N O3
SMILES:	c12ccccc1c(c(cn2)C(O)=O)O
InChi:	InChI=1S/C10H7NO3/c12-9-6-3-1-2-4-8(6)11-5-7(9)10(13)14/h1-5H,(H,11,12)(H,13,14)
Definition date:	2018-05-24
Last modified:	2019-05-24
Release date:	2019-05-29
Identifier:	4-hydroxyquinoline-3-carboxylic acid

GJS

GJS
Name:	4-hydroxybenzene-1,2-dicarboxylic acid
Formula:	C8 H6 O5
SMILES:	c1(C(O)=O)c(C(O)=O)ccc(c1)O
InChi:	InChI=1S/C8H6O5/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
Definition date:	2018-05-24
Last modified:	2019-05-24
Release date:	2019-05-29
Identifier:	4-hydroxybenzene-1,2-dicarboxylic acid

GM7

GM7
Name:	4-aminobenzene-1,2-dicarboxylic acid
Formula:	C8 H7 N O4
SMILES:	C(O)(c1cc(ccc1C(O)=O)N)=O
InChi:	InChI=1S/C8H7NO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)
Definition date:	2018-05-29
Last modified:	2019-05-24
Release date:	2019-05-29
Identifier:	4-aminobenzene-1,2-dicarboxylic acid

GNM

GNM
Name:	8-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Formula:	C10 H6 Br N O3
SMILES:	c2c(c1c(C(C(C(O)=O)=CN1)=O)cc2)Br
InChi:	InChI=1S/C10H6BrNO3/c11-7-3-1-2-5-8(7)12-4-6(9(5)13)10(14)15/h1-4H,(H,12,13)(H,14,15)
Definition date:	2018-05-30
Last modified:	2019-05-24
Release date:	2019-05-29
Identifier:	8-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

GNV

GNV
Name:	4-hydroxyquinoline-3,8-dicarboxylic acid
Formula:	C11 H7 N O5
SMILES:	c2cc(c1c(c(c(C(O)=O)cn1)O)c2)C(O)=O
InChi:	InChI=1S/C11H7NO5/c13-9-5-2-1-3-6(10(14)15)8(5)12-4-7(9)11(16)17/h1-4H,(H,12,13)(H,14,15)(H,16,17)
Definition date:	2018-05-30
Last modified:	2019-05-24
Release date:	2019-05-29
Identifier:	4-hydroxyquinoline-3,8-dicarboxylic acid

GNY

GNY
Name:	4-hydroxy-8-(propan-2-yl)quinoline-3-carboxylic acid
Formula:	C13 H13 N O3
SMILES:	c2c(c(c1c(c(C(C)C)ccc1)n2)O)C(O)=O
InChi:	InChI=1S/C13H13NO3/c1-7(2)8-4-3-5-9-11(8)14-6-10(12(9)15)13(16)17/h3-7H,1-2H3,(H,14,15)(H,16,17)
Definition date:	2018-05-30
Last modified:	2019-05-24
Release date:	2019-05-29
Identifier:	4-hydroxy-8-(propan-2-yl)quinoline-3-carboxylic acid

GOG

GOG
Name:	3-hydroxybenzene-1,2-dicarboxylic acid
Formula:	C8 H6 O5
SMILES:	c1(c(C(O)=O)cccc1O)C(O)=O
InChi:	InChI=1S/C8H6O5/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
Definition date:	2018-05-30
Last modified:	2019-05-24
Release date:	2019-05-29
Identifier:	3-hydroxybenzene-1,2-dicarboxylic acid

NM4

NM4
Name:	(3S)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-[(pyridin-4-yl)methyl]pyrrolidin-3-amine
Formula:	C25 H26 Cl N5 O2
SMILES:	c1(OC)cc(OC)c(cc1Cl)c5nc4cc(N3CCC(NCc2ccncc2)C3)ccn4c5
InChi:	InChI=1S/C25H26ClN5O2/c1-32-23-13-24(33-2)21(26)12-20(23)22-16-31-10-6-19(11-25(31)29-22)30-9-5-18(15-30)28-14-17-3-7-27-8-4-17/h3-4,6-8,10-13,16,18,28H,5,9,14-15H2,1-2H3/t18-/m0/s1
Definition date:	2019-05-20
Last modified:	2019-05-24
Release date:	2019-05-29
Identifier:	(3S)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-[(pyridin-4-yl)methyl]pyrrolidin-3-amine

LND

LND
Name:	4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium
Formula:	C13 H16 N5 O2
SMILES:	c1[n+](ccc(c1)C(N)=O)CCCn2c(ncc2)C=NO
InChi:	InChI=1S/C13H15N5O2/c14-13(19)11-2-7-17(8-3-11)5-1-6-18-9-4-15-12(18)10-16-20/h2-4,7-10H,1,5-6H2,(H2-,14,15,19,20)/p+1
Definition date:	2019-03-05
Last modified:	2019-05-24
Release date:	2019-05-29
Identifier:	4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium

JUJ

JUJ
Name:	1-[9-(6-aminopyridin-3-yl)-6,7-dichloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one
Formula:	C18 H16 Cl2 N4 O2
SMILES:	C4N(C(CO)=O)Cc1c(nc3c1c(c2cnc(N)cc2)cc(c3Cl)Cl)C4
InChi:	InChI=1S/C18H16Cl2N4O2/c19-12-5-10(9-1-2-14(21)22-6-9)16-11-7-24(15(26)8-25)4-3-13(11)23-18(16)17(12)20/h1-2,5-6,23,25H,3-4,7-8H2,(H2,21,22)
Definition date:	2018-09-24
Last modified:	2019-05-24
Release date:	2019-05-29
Identifier:	1-[9-(6-aminopyridin-3-yl)-6,7-dichloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one

JUM

JUM
Name:	1-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one
Formula:	C16 H14 Cl2 N4 O2
SMILES:	C1c2c(CCN1C(CO)=O)nc3c2c(cc(c3Cl)Cl)c4cnnc4
InChi:	InChI=1S/C16H14Cl2N4O2/c17-11-3-9(8-4-19-20-5-8)14-10-6-22(13(24)7-23)2-1-12(10)21-16(14)15(11)18/h3-5,21,23H,1-2,6-7H2,(H,19,20)
Definition date:	2018-09-25
Last modified:	2019-05-24
Release date:	2019-05-29
Identifier:	1-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one

PT9

PT9
Name:	[Pt(H2bapbpy)] platinum
Formula:	C20 H16 N6 Pt
SMILES:	[Pt].N(c1ccccn1)c2cccc(n2)c3cccc(Nc4ccccn4)n3
InChi:	InChI=1S/C20H16N6.Pt/c1-3-13-21-17(9-1)25-19-11-5-7-15(23-19)16-8-6-12-20(24-16)26-18-10-2-4-14-22-18
Definition date:	2017-11-28
Last modified:	2019-05-24
Release date:	2019-05-29

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