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9C6

9C6
Name:	9-(4-phenoxyphenyl)-3,4-dihydro-2H-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione
Formula:	C19 H16 N2 O3 S
SMILES:	N41CCS(=O)(=O)N=C1C(c2ccc(cc2)Oc3ccccc3)=CC=C4
InChi:	InChI=1S/C19H16N2O3S/c22-25(23)14-13-21-12-4-7-18(19(21)20-25)15-8-10-17(11-9-15)24-16-5-2-1-3-6-16/h1-12H,13-14H2
Definition date:	2018-03-09
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	9-(4-phenoxyphenyl)-3,4-dihydro-2H-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione

MK9

MK9
Name:	N-(3-{[3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-{[4-(diethylamino)butyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)prop-2-enamide
Formula:	C32 H39 Cl2 N7 O4
SMILES:	Clc1c(c(c(cc1OC)OC)Cl)N2C(N(c3c(C2)cnc(NCCCCN(CC)CC)n3)Cc4cc(ccc4)NC(C=C)=O)=O
InChi:	InChI=1S/C32H39Cl2N7O4/c1-6-26(42)37-23-13-11-12-21(16-23)19-41-30-22(18-36-31(38-30)35-14-9-10-15-39(7-2)8-3)20-40(32(41)43)29-27(33)24(44-4)17-25(45-5)28(29)34/h6,11-13,16-18H,1,7-10,14-15,19-20H2,2-5H3,(H,37,42)(H,35,36,38)
Definition date:	2017-02-15
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	N-(3-{[3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-{[4-(diethylamino)butyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)prop-2-enamide

A1U

A1U
Name:	3,5-dimethylpyrazin-2-ol
Formula:	C6 H8 N2 O
SMILES:	c1c(C)nc(c(n1)O)C
InChi:	InChI=1S/C6H8N2O/c1-4-3-7-6(9)5(2)8-4/h3H,1-2H3,(H,7,9)
Definition date:	2018-09-13
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	3,5-dimethylpyrazin-2-ol

92U

92U
Name:	[1,3-diethyl-2,2-bis(oxidanylidene)-2$l^{6},1,3-benzothiadiazol-5-yl]-(1-methyl-5-oxidanyl-pyrazol-4-yl)methanone
Formula:	C15 H18 N4 O4 S
SMILES:	CCN1c2ccc(cc2N(CC)[S]1(=O)=O)C(=O)c3cnn(C)c3O
InChi:	InChI=1S/C15H18N4O4S/c1-4-18-12-7-6-10(8-13(12)19(5-2)24(18,22)23)14(20)11-9-16-17(3)15(11)21/h6-9,21H,4-5H2,1-3H3
Definition date:	2017-12-07
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	[1,3-diethyl-2,2-bis(oxidanylidene)-2$l^{6},1,3-benzothiadiazol-5-yl]-(1-methyl-5-oxidanyl-pyrazol-4-yl)methanone

92X

92X
Name:	1,5-dimethyl-3-(2-methylphenyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione
Formula:	C24 H22 N2 O5
SMILES:	CN1C(=O)N(C(=O)c2c(C)c(ccc12)C(=O)C3=C(O)CCCC3=O)c4ccccc4C
InChi:	InChI=1S/C24H22N2O5/c1-13-7-4-5-8-16(13)26-23(30)20-14(2)15(11-12-17(20)25(3)24(26)31)22(29)21-18(27)9-6-10-19(21)28/h4-5,7-8,11-12,27H,6,9-10H2,1-3H3
Definition date:	2017-12-07
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	1,5-dimethyl-3-(2-methylphenyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione

94L

94L
Name:	3-(2,6-dimethylphenyl)-1-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione
Formula:	C24 H22 N2 O5
SMILES:	CN1C(=O)N(C(=O)c2cc(ccc12)C(=O)C3=C(O)CCCC3=O)c4c(C)cccc4C
InChi:	InChI=1S/C24H22N2O5/c1-13-6-4-7-14(2)21(13)26-23(30)16-12-15(10-11-17(16)25(3)24(26)31)22(29)20-18(27)8-5-9-19(20)28/h4,6-7,10-12,27H,5,8-9H2,1-3H3
Definition date:	2017-12-14
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	3-(2,6-dimethylphenyl)-1-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione

96Z

96Z
Name:	(2~{S})-2-azanyl-3-(2,6-dihydroazulen-1-yl)propanoic acid
Formula:	C13 H15 N O2
SMILES:	N[CH](CC1=C2C=CCC=CC2=CC1)C(O)=O
InChi:	InChI=1S/C13H15NO2/c14-12(13(15)16)8-10-7-6-9-4-2-1-3-5-11(9)10/h2-6,12H,1,7-8,14H2,(H,15,16)/t12-/m0/s1
Definition date:	2017-04-26
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	(2~{S})-2-azanyl-3-(2,6-dihydroazulen-1-yl)propanoic acid

97O

97O
Name:	6,7,8-trimethoxy-1-(4-methoxyphenyl)-4,5-dihydro-2~{H}-benzo[e]indazole
Formula:	C21 H22 N2 O4
SMILES:	COc1ccc(cc1)c2[nH]nc3CCc4c(OC)c(OC)c(OC)cc4c23
InChi:	InChI=1S/C21H22N2O4/c1-24-13-7-5-12(6-8-13)19-18-15-11-17(25-2)21(27-4)20(26-3)14(15)9-10-16(18)22-23-19/h5-8,11H,9-10H2,1-4H3,(H,22,23)
Definition date:	2018-01-26
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	6,7,8-trimethoxy-1-(4-methoxyphenyl)-4,5-dihydro-2~{H}-benzo[e]indazole

BKP

BKP
Name:	5'-O-[(S)-hydroxy{[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]guanosine
Formula:	C10 H17 N5 O17 P4
SMILES:	P(O)(=O)(OP(O)(OP(O)(O)=O)=O)OP(OCC1OC(C(C1O)O)n2cnc3C(=O)N=C(N)Nc23)(O)=O
InChi:	InChI=1S/C10H17N5O17P4/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(29-9)1-28-34(22,23)31-36(26,27)32-35(24,25)30-33(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H,26,27)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
Definition date:	2017-08-14
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	5'-O-[(S)-hydroxy{[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]guanosine

BOY

BOY
Name:	[(R)-hydroxy(4-methylphenyl)methyl]phosphonic acid
Formula:	C8 H11 O4 P
SMILES:	Cc1ccc(cc1)C(P(O)(O)=O)O
InChi:	InChI=1S/C8H11O4P/c1-6-2-4-7(5-3-6)8(9)13(10,11)12/h2-5,8-9H,1H3,(H2,10,11,12)/t8-/m1/s1
Definition date:	2017-08-21
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	[(R)-hydroxy(4-methylphenyl)methyl]phosphonic acid

BWJ

BWJ
Name:	{[(3,5-dichlorophenyl)amino]methylene}bis(phosphonic acid)
Formula:	C7 H9 Cl2 N O6 P2
SMILES:	c1c(Cl)cc(NC(P(O)(O)=O)P(O)(=O)O)cc1Cl
InChi:	InChI=1S/C7H9Cl2NO6P2/c8-4-1-5(9)3-6(2-4)10-7(17(11,12)13)18(14,15)16/h1-3,7,10H,(H2,11,12,13)(H2,14,15,16)
Definition date:	2017-08-30
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	{[(3,5-dichlorophenyl)amino]methylene}bis(phosphonic acid)

C8A

C8A
Name:	{[(4-benzylphenyl)amino]methylene}bis(phosphonic acid)
Formula:	C14 H17 N O6 P2
SMILES:	c2(Cc1ccccc1)ccc(NC(P(O)(O)=O)P(O)(=O)O)cc2
InChi:	InChI=1S/C14H17NO6P2/c16-22(17,18)14(23(19,20)21)15-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9,14-15H,10H2,(H2,16,17,18)(H2,19,20,21)
Definition date:	2017-09-18
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	{[(4-benzylphenyl)amino]methylene}bis(phosphonic acid)

D8Z

D8Z
Name:	Artemether
Formula:	C16 H26 O5
SMILES:	CO[CH]1O[CH]2O[C]3(C)CC[CH]4[CH](C)CC[CH]([CH]1C)[C]24OO3
InChi:	InChI=1S/C16H26O5/c1-9-5-6-12-10(2)13(17-4)18-14-16(12)11(9)7-8-15(3,19-14)20-21-16/h9-14H,5-8H2,1-4H3/t9-,10-,11+,12+,13+,14-,15-,16-/m1/s1
Definition date:	2018-01-10
Last modified:	2019-01-11
Release date:	2019-01-16

D95

D95
Name:	Artesunate
Formula:	C19 H28 O8
SMILES:	C[CH]1CC[CH]2[CH](C)[CH](O[CH]3O[C]4(C)CC[CH]1[C]23OO4)OC(=O)CCC(O)=O
InChi:	InChI=1S/C19H28O8/c1-10-4-5-13-11(2)16(23-15(22)7-6-14(20)21)24-17-19(13)12(10)8-9-18(3,25-17)26-27-19/h10-13,16-17H,4-9H2,1-3H3,(H,20,21)/t10-,11-,12+,13+,16-,17-,18-,19-/m1/s1
Definition date:	2018-01-10
Last modified:	2019-01-11
Release date:	2019-01-16

EGP

EGP
Name:	N-[2-(1H-indol-3-yl)ethyl]-N'-{3-[(4-methylpiperazin-1-yl)methyl]-1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-6-yl}thiourea
Formula:	C31 H39 N7 O2 S
SMILES:	n2(cc(CN1CCN(C)CC1)c3ccc(cc23)NC(NCCc4cnc5ccccc45)=S)CC(=O)N6CCOCC6
InChi:	InChI=1S/C31H39N7O2S/c1-35-10-12-36(13-11-35)20-24-21-38(22-30(39)37-14-16-40-17-15-37)29-18-25(6-7-27(24)29)34-31(41)32-9-8-23-19-33-28-5-3-2-4-26(23)28/h2-7,18-19,21,33H,8-17,20,22H2,1H3,(H2,32,34,41)
Definition date:	2018-01-10
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	N-[2-(1H-indol-3-yl)ethyl]-N'-{3-[(4-methylpiperazin-1-yl)methyl]-1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-6-yl}thiourea

EH1

EH1
Name:	4-cyclohexylbenzoic acid
Formula:	C13 H16 O2
SMILES:	C1(CCCCC1)c2ccc(C(=O)O)cc2
InChi:	InChI=1S/C13H16O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,14,15)
Definition date:	2018-01-10
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	4-cyclohexylbenzoic acid

EHY

EHY
Name:	N-(2-phenylethyl)-N'-pyridin-3-ylthiourea
Formula:	C14 H15 N3 S
SMILES:	c1ccc(cc1)CCNC(Nc2cccnc2)=S
InChi:	InChI=1S/C14H15N3S/c18-14(17-13-7-4-9-15-11-13)16-10-8-12-5-2-1-3-6-12/h1-7,9,11H,8,10H2,(H2,16,17,18)
Definition date:	2018-01-11
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	N-(2-phenylethyl)-N'-pyridin-3-ylthiourea

GUE

GUE
Name:	5,10-Methenyltetrahydrofolate
Formula:	C20 H22 N7 O6
SMILES:	NC1=NC(=O)C2=C(NC[CH]3CN(C=[N+]23)c4ccc(cc4)C(=O)N[CH](CCC(O)=O)C(O)=O)N1
InChi:	InChI=1S/C20H21N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,9,12-13H,5-8H2,(H6-,21,22,23,24,25,28,29,30,31,32,33)/p+1/t12-,13+/m1/s1
Definition date:	2018-10-09
Last modified:	2019-01-04
Release date:	2019-01-09
Identifier:	(2~{S})-2-[[4-[(6~{a}~{R})-3-azanyl-1-oxidanylidene-5,6,6~{a},7-tetrahydro-4~{H}-imidazo[1,5-f]pteridin-10-ium-8-yl]phenyl]carbonylamino]pentanedioic acid

EY8

EY8
Name:	[(3~{R})-7-fluoranyl-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]methanesulfonamide
Formula:	C18 H16 F N3 O6 S
SMILES:	N[S](=O)(=O)C[CH]1COc2cc(F)ccc2N1C(=O)c3ccc4OCC(=O)Nc4c3
InChi:	InChI=1S/C18H16FN3O6S/c19-11-2-3-14-16(6-11)27-7-12(9-29(20,25)26)22(14)18(24)10-1-4-15-13(5-10)21-17(23)8-28-15/h1-6,12H,7-9H2,(H,21,23)(H2,20,25,26)/t12-/m1/s1
Definition date:	2018-05-04
Last modified:	2019-01-04
Release date:	2019-01-09
Identifier:	[(3~{R})-7-fluoranyl-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]methanesulfonamide

EYN

EYN
Name:	2-[(3~{S})-7-fluoranyl-6-(2-methylpropyl)-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{N}-methyl-ethanamide
Formula:	C24 H26 F N3 O5
SMILES:	CNC(=O)C[CH]1COc2cc(F)c(CC(C)C)cc2N1C(=O)c3ccc4OCC(=O)Nc4c3
InChi:	InChI=1S/C24H26FN3O5/c1-13(2)6-15-8-19-21(10-17(15)25)32-11-16(9-22(29)26-3)28(19)24(31)14-4-5-20-18(7-14)27-23(30)12-33-20/h4-5,7-8,10,13,16H,6,9,11-12H2,1-3H3,(H,26,29)(H,27,30)/t16-/m0/s1
Definition date:	2018-05-04
Last modified:	2019-01-04
Release date:	2019-01-09
Identifier:	2-[(3~{S})-7-fluoranyl-6-(2-methylpropyl)-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{N}-methyl-ethanamide

EWN

EWN
Name:	6-[[(3~{S})-7-fluoranyl-3-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-4-yl]carbonyl]-4~{H}-1,4-benzoxazin-3-one
Formula:	C21 H21 F N2 O4
SMILES:	CC(C)C[CH]1COc2cc(F)ccc2N1C(=O)c3ccc4OCC(=O)Nc4c3
InChi:	InChI=1S/C21H21FN2O4/c1-12(2)7-15-10-27-19-9-14(22)4-5-17(19)24(15)21(26)13-3-6-18-16(8-13)23-20(25)11-28-18/h3-6,8-9,12,15H,7,10-11H2,1-2H3,(H,23,25)/t15-/m0/s1
Definition date:	2018-04-27
Last modified:	2019-01-04
Release date:	2019-01-09
Identifier:	6-[[(3~{S})-7-fluoranyl-3-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-4-yl]carbonyl]-4~{H}-1,4-benzoxazin-3-one

H3E

H3E
Name:	5-(1-methylpyrazol-4-yl)-3-[1-(phenylmethyl)pyrazol-4-yl]furo[3,2-b]pyridine
Formula:	C21 H17 N5 O
SMILES:	Cn1cc(cn1)c2ccc3occ(c4cnn(Cc5ccccc5)c4)c3n2
InChi:	InChI=1S/C21H17N5O/c1-25-12-17(10-22-25)19-7-8-20-21(24-19)18(14-27-20)16-9-23-26(13-16)11-15-5-3-2-4-6-15/h2-10,12-14H,11H2,1H3
Definition date:	2018-11-14
Last modified:	2019-01-04
Release date:	2019-01-09
Identifier:	5-(1-methylpyrazol-4-yl)-3-[1-(phenylmethyl)pyrazol-4-yl]furo[3,2-b]pyridine

H3H

H3H
Name:	5-(1-methylpyrazol-4-yl)-3-(3-propan-2-yloxyphenyl)furo[3,2-b]pyridine
Formula:	C20 H19 N3 O2
SMILES:	CC(C)Oc1cccc(c1)c2coc3ccc(nc23)c4cnn(C)c4
InChi:	InChI=1S/C20H19N3O2/c1-13(2)25-16-6-4-5-14(9-16)17-12-24-19-8-7-18(22-20(17)19)15-10-21-23(3)11-15/h4-13H,1-3H3
Definition date:	2018-11-14
Last modified:	2019-01-04
Release date:	2019-01-09
Identifier:	5-(1-methylpyrazol-4-yl)-3-(3-propan-2-yloxyphenyl)furo[3,2-b]pyridine

H3Q

H3Q
Name:	3-(3-cyclobutylphenyl)-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine
Formula:	C21 H19 N3 O
SMILES:	Cn1cc(cn1)c2ccc3occ(c4cccc(c4)C5CCC5)c3n2
InChi:	InChI=1S/C21H19N3O/c1-24-12-17(11-22-24)19-8-9-20-21(23-19)18(13-25-20)16-7-3-6-15(10-16)14-4-2-5-14/h3,6-14H,2,4-5H2,1H3
Definition date:	2018-11-14
Last modified:	2019-01-04
Release date:	2019-01-09
Identifier:	3-(3-cyclobutylphenyl)-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine

H98

H98
Name:	~{N}-[5-[(1~{R})-2-[[(2~{R})-1-(4-methoxyphenyl)propan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methanamide
Formula:	C19 H24 N2 O4
SMILES:	COc1ccc(C[CH](C)NC[CH](O)c2ccc(O)c(NC=O)c2)cc1
InChi:	InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19+/m1/s1
Definition date:	2018-11-30
Last modified:	2019-01-04
Release date:	2019-01-09
Identifier:	~{N}-[5-[(1~{R})-2-[[(2~{R})-1-(4-methoxyphenyl)propan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methanamide

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