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D0Y

D0Y
Name:	(6R)-3-[(2-chlorophenyl)sulfanyl]-6-{3-[(4-fluorophenyl)amino]phenyl}-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one
Formula:	C27 H19 Cl F N O3 S2
SMILES:	C=1(C(=O)OC(CC=1O)(c3cc(Nc2ccc(cc2)F)ccc3)c4ccsc4)Sc5ccccc5Cl
InChi:	InChI=1S/C27H19ClFNO3S2/c28-22-6-1-2-7-24(22)35-25-23(31)15-27(33-26(25)32,18-12-13-34-16-18)17-4-3-5-21(14-17)30-20-10-8-19(29)9-11-20/h1-14,16,30-31H,15H2/t27-/m1/s1
Definition date:	2017-10-13
Last modified:	2018-10-12
Release date:	2018-10-17
Identifier:	(6R)-3-[(2-chlorophenyl)sulfanyl]-6-{3-[(4-fluorophenyl)amino]phenyl}-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one

DUE

DUE
Name:	(2~{S})-2-[[3-[[5-[4-(aminomethyl)phenyl]-1-benzofuran-7-yl]sulfonylamino]thiophen-2-yl]carbonylamino]-5-carbamimidamido-pentanoic acid
Formula:	C26 H28 N6 O6 S2
SMILES:	NCc1ccc(cc1)c2cc3ccoc3c(c2)[S](=O)(=O)Nc4ccsc4C(=O)N[CH](CCCNC(N)=N)C(O)=O
InChi:	InChI=1S/C26H28N6O6S2/c27-14-15-3-5-16(6-4-15)18-12-17-7-10-38-22(17)21(13-18)40(36,37)32-19-8-11-39-23(19)24(33)31-20(25(34)35)2-1-9-30-26(28)29/h3-8,10-13,20,32H,1-2,9,14,27H2,(H,31,33)(H,34,35)(H4,28,29,30)/t20-/m0/s1
Definition date:	2018-01-31
Last modified:	2018-10-12
Release date:	2018-10-17
Identifier:	(2~{S})-2-[[3-[[5-[4-(aminomethyl)phenyl]-1-benzofuran-7-yl]sulfonylamino]thiophen-2-yl]carbonylamino]-5-carbamimidamido-pentanoic acid

F5G

F5G
Name:	(2R,3R,4S,5R,6S)-3-(acetylamino)-5-(formylamino)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
Formula:	C18 H28 N4 O16 P2
SMILES:	C(OP(OP(OC1C(NC(=O)C)C(C(NC=O)C(C)O1)O)(=O)O)(O)=O)C3C(C(C(N2C(NC(C=C2)=O)=O)O3)O)O
InChi:	InChI=1S/C18H28N4O16P2/c1-7-11(19-6-23)14(27)12(20-8(2)24)17(35-7)37-40(32,33)38-39(30,31)34-5-9-13(26)15(28)16(36-9)22-4-3-10(25)21-18(22)29/h3-4,6-7,9,11-17,26-28H,5H2,1-2H3,(H,19,23)(H,20,24)(H,30,31)(H,32,33)(H,21,25,29)/t7-,9+,11-,12+,13+,14-,15+,16+,17+/m0/s1
Definition date:	2018-02-28
Last modified:	2018-10-12
Release date:	2018-10-17
Identifier:	(2R,3R,4S,5R,6S)-3-(acetylamino)-5-(formylamino)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)

FVK

FVK
Name:	~{N}-[2-[[(2~{S})-2-oxidanyl-3-(4-oxidanylphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide
Formula:	C16 H25 N3 O5
SMILES:	O[CH](CNCCNC(=O)N1CCOCC1)COc2ccc(O)cc2
InChi:	InChI=1S/C16H25N3O5/c20-13-1-3-15(4-2-13)24-12-14(21)11-17-5-6-18-16(22)19-7-9-23-10-8-19/h1-4,14,17,20-21H,5-12H2,(H,18,22)/t14-/m0/s1
Definition date:	2018-07-31
Last modified:	2018-10-12
Release date:	2018-10-17
Identifier:	~{N}-[2-[[(2~{S})-2-oxidanyl-3-(4-oxidanylphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide

FVN

FVN
Name:	~{N}-[5-[(1~{S})-2-[[(2~{S})-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+/m0/s1
Definition date:	2018-07-31
Last modified:	2018-10-12
Release date:	2018-10-17
Identifier:	~{N}-[5-[(1~{S})-2-[[(2~{S})-1-(4-methoxyphenyl)propan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methanamide

GJD

GJD
Name:	4-amino-2-[(3S)-3-(propanoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide
Formula:	C12 H18 N6 O2
SMILES:	c1(nc(N)c(C(=O)N)cn1)N2CC(NC(CC)=O)CC2
InChi:	InChI=1S/C12H18N6O2/c1-2-9(19)16-7-3-4-18(6-7)12-15-5-8(11(14)20)10(13)17-12/h5,7H,2-4,6H2,1H3,(H2,14,20)(H,16,19)(H2,13,15,17)/t7-/m0/s1
Definition date:	2018-05-23
Last modified:	2018-10-12
Release date:	2018-10-17
Identifier:	4-amino-2-[(3S)-3-(propanoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide

GJG

GJG
Name:	6-(cyclohexylamino)pyridine-3-carboxamide
Formula:	C12 H17 N3 O
SMILES:	n1cc(ccc1NC2CCCCC2)C(=O)N
InChi:	InChI=1S/C12H17N3O/c13-12(16)9-6-7-11(14-8-9)15-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H2,13,16)(H,14,15)
Definition date:	2018-05-23
Last modified:	2018-10-12
Release date:	2018-10-17
Identifier:	6-(cyclohexylamino)pyridine-3-carboxamide

GKY

GKY
Name:	N-{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl}-N-propylpropan-1-amine
Formula:	C23 H33 N O2
SMILES:	c1(ccc(c(c1)OCCc2ccccc2)OC)CCN(CCC)CCC
InChi:	InChI=1S/C23H33NO2/c1-4-15-24(16-5-2)17-13-21-11-12-22(25-3)23(19-21)26-18-14-20-9-7-6-8-10-20/h6-12,19H,4-5,13-18H2,1-3H3
Definition date:	2018-05-29
Last modified:	2018-10-12
Release date:	2018-10-17
Identifier:	N-{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl}-N-propylpropan-1-amine

GM4

GM4
Name:	(2S,6S,11S)-6,11-dimethyl-3-(3-methylbut-2-en-1-yl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol
Formula:	C19 H27 N O
SMILES:	C1(C)C2(c3c(CC1N(CC2)C[C@H]=C(C)C)ccc(c3)O)C
InChi:	InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m1/s1
Definition date:	2018-05-29
Last modified:	2018-10-12
Release date:	2018-10-17
Identifier:	(2S,6S,11S)-6,11-dimethyl-3-(3-methylbut-2-en-1-yl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol

GMJ

GMJ
Name:	4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
Formula:	C21 H23 Cl F N O2
SMILES:	C(CC(c1ccc(F)cc1)=O)CN2CCC(O)(CC2)c3ccc(cc3)Cl
InChi:	InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
Definition date:	2018-05-30
Last modified:	2018-10-12
Release date:	2018-10-17
Identifier:	4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one

GQ5

GQ5
Name:	1-methyl-~{N}-[2-[[(2~{S})-2-methylpyrrolidin-1-yl]methyl]-3~{H}-benzimidazol-5-yl]indazole-5-carboxamide
Formula:	C22 H24 N6 O
SMILES:	C[CH]1CCCN1Cc2[nH]c3cc(NC(=O)c4ccc5n(C)ncc5c4)ccc3n2
InChi:	InChI=1S/C22H24N6O/c1-14-4-3-9-28(14)13-21-25-18-7-6-17(11-19(18)26-21)24-22(29)15-5-8-20-16(10-15)12-23-27(20)2/h5-8,10-12,14H,3-4,9,13H2,1-2H3,(H,24,29)(H,25,26)/t14-/m0/s1
Definition date:	2018-10-02
Last modified:	2018-10-12
Release date:	2018-10-17
Identifier:	1-methyl-~{N}-[2-[[(2~{S})-2-methylpyrrolidin-1-yl]methyl]-3~{H}-benzimidazol-5-yl]indazole-5-carboxamide

GQ8

GQ8
Name:	1-cyclopropyl-~{N}-[2-[[(2~{S})-2-methylpyrrolidin-1-yl]methyl]-3~{H}-benzimidazol-5-yl]indazole-5-carboxamide
Formula:	C24 H26 N6 O
SMILES:	C[CH]1CCCN1Cc2[nH]c3cc(NC(=O)c4ccc5n(ncc5c4)C6CC6)ccc3n2
InChi:	InChI=1S/C24H26N6O/c1-15-3-2-10-29(15)14-23-27-20-8-5-18(12-21(20)28-23)26-24(31)16-4-9-22-17(11-16)13-25-30(22)19-6-7-19/h4-5,8-9,11-13,15,19H,2-3,6-7,10,14H2,1H3,(H,26,31)(H,27,28)/t15-/m0/s1
Definition date:	2018-10-02
Last modified:	2018-10-12
Release date:	2018-10-17
Identifier:	1-cyclopropyl-~{N}-[2-[[(2~{S})-2-methylpyrrolidin-1-yl]methyl]-3~{H}-benzimidazol-5-yl]indazole-5-carboxamide

JP4

JP4
Name:	[2-(morpholin-4-yl)phenyl]methanol
Formula:	C11 H15 N O2
SMILES:	C1COCCN1c2ccccc2CO
InChi:	InChI=1S/C11H15NO2/c13-9-10-3-1-2-4-11(10)12-5-7-14-8-6-12/h1-4,13H,5-9H2
Definition date:	2018-09-12
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	[2-(morpholin-4-yl)phenyl]methanol

JP7

JP7
Name:	(6aR,12aR)-3-methoxy-6a,10,11,12a-tetrahydro-6H,7H,9H-[1]benzopyrano[4,3-c]pyrazolo[1,2-a]pyrazol-9-one
Formula:	C14 H16 N2 O3
SMILES:	C2N4C(CCN4C3c1ccc(OC)cc1OCC23)=O
InChi:	InChI=1S/C14H16N2O3/c1-18-10-2-3-11-12(6-10)19-8-9-7-16-13(17)4-5-15(16)14(9)11/h2-3,6,9,14H,4-5,7-8H2,1H3/t9-,14+/m0/s1
Definition date:	2018-09-12
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	(6aR,12aR)-3-methoxy-6a,10,11,12a-tetrahydro-6H,7H,9H-[1]benzopyrano[4,3-c]pyrazolo[1,2-a]pyrazol-9-one

GRY

GRY
Name:	~{N}1-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine
Formula:	C12 H14 N4
SMILES:	Cc1cc(C)nc(Nc2ccc(N)cc2)n1
InChi:	InChI=1S/C12H14N4/c1-8-7-9(2)15-12(14-8)16-11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)
Definition date:	2018-06-01
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	~{N}1-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine

JPD

JPD
Name:	methyl (1S,3S,4R)-4-hydroxy-3-[(1S)-1-hydroxypropyl]-2-azabicyclo[2.2.2]octane-2-carboxylate
Formula:	C12 H21 N O4
SMILES:	C21(C(C(CC)O)N(C(OC)=O)C(CC1)CC2)O
InChi:	InChI=1S/C12H21NO4/c1-3-9(14)10-12(16)6-4-8(5-7-12)13(10)11(15)17-2/h8-10,14,16H,3-7H2,1-2H3/t8-,9-,10-,12-/m0/s1
Definition date:	2018-09-12
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	methyl (1S,3S,4R)-4-hydroxy-3-[(1S)-1-hydroxypropyl]-2-azabicyclo[2.2.2]octane-2-carboxylate

JPG

JPG
Name:	1-(2-phenoxyphenyl)ethan-1-one
Formula:	C14 H12 O2
SMILES:	c2cc(Oc1c(C(C)=O)cccc1)ccc2
InChi:	InChI=1S/C14H12O2/c1-11(15)13-9-5-6-10-14(13)16-12-7-3-2-4-8-12/h2-10H,1H3
Definition date:	2018-09-12
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	1-(2-phenoxyphenyl)ethan-1-one

JPV

JPV
Name:	(2R,5R,6S)-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol
Formula:	C14 H16 N2 O
SMILES:	c21nc3C4C(O)CNC(Cc3c1cccc2)C4
InChi:	InChI=1S/C14H16N2O/c17-13-7-15-8-5-10-9-3-1-2-4-12(9)16-14(10)11(13)6-8/h1-4,8,11,13,15-17H,5-7H2/t8-,11+,13-/m0/s1
Definition date:	2018-09-12
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	(2R,5R,6S)-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol

JQ4

JQ4
Name:	(1S,3S,4R)-3-[(1S)-1-hydroxypropyl]-2-(methylsulfonyl)-2-azabicyclo[2.2.2]octan-4-ol
Formula:	C11 H21 N O4 S
SMILES:	C21(C(C(CC)O)N(S(C)(=O)=O)C(CC1)CC2)O
InChi:	InChI=1S/C11H21NO4S/c1-3-9(13)10-11(14)6-4-8(5-7-11)12(10)17(2,15)16/h8-10,13-14H,3-7H2,1-2H3/t8-,9-,10-,11-/m0/s1
Definition date:	2018-09-12
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	(1S,3S,4R)-3-[(1S)-1-hydroxypropyl]-2-(methylsulfonyl)-2-azabicyclo[2.2.2]octan-4-ol

JQ7

JQ7
Name:	2-[(4R)-4-hydroxy-1,1-dioxo-3,4-dihydro-1lambda~6~,2-benzothiazin-2(1H)-yl]acetamide
Formula:	C10 H12 N2 O4 S
SMILES:	c1cccc2c1C(CN(CC(N)=O)S2(=O)=O)O
InChi:	InChI=1S/C10H12N2O4S/c11-10(14)6-12-5-8(13)7-3-1-2-4-9(7)17(12,15)16/h1-4,8,13H,5-6H2,(H2,11,14)/t8-/m0/s1
Definition date:	2018-09-12
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	2-[(4R)-4-hydroxy-1,1-dioxo-3,4-dihydro-1lambda~6~,2-benzothiazin-2(1H)-yl]acetamide

JQA

JQA
Name:	(4R,4aR,6R,8aR)-1-benzyloctahydro-2H-6,4-(epiminomethano)-3,1-benzoxazin-2-one
Formula:	C16 H20 N2 O2
SMILES:	N1CC4C2C(CCC1C2)N(Cc3ccccc3)C(=O)O4
InChi:	InChI=1S/C16H20N2O2/c19-16-18(10-11-4-2-1-3-5-11)14-7-6-12-8-13(14)15(20-16)9-17-12/h1-5,12-15,17H,6-10H2/t12-,13-,14-,15+/m1/s1
Definition date:	2018-09-12
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	(4R,4aR,6R,8aR)-1-benzyloctahydro-2H-6,4-(epiminomethano)-3,1-benzoxazin-2-one

JQD

JQD
Name:	(6aS,12aR)-3-methoxy-6a,10,11,12a-tetrahydro-6H,7H,9H-[1]benzopyrano[4,3-c]pyrazolo[1,2-a]pyrazol-9-one
Formula:	C14 H16 N2 O3
SMILES:	C2N4N(C3c1ccc(OC)cc1OCC23)CCC4=O
InChi:	InChI=1S/C14H16N2O3/c1-18-10-2-3-11-12(6-10)19-8-9-7-16-13(17)4-5-15(16)14(9)11/h2-3,6,9,14H,4-5,7-8H2,1H3/t9-,14-/m1/s1
Definition date:	2018-09-12
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	(6aS,12aR)-3-methoxy-6a,10,11,12a-tetrahydro-6H,7H,9H-[1]benzopyrano[4,3-c]pyrazolo[1,2-a]pyrazol-9-one

N19

N19
Name:	4-[(3~{R})-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
Formula:	C18 H21 N3 O3 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN[CH](C2)Cc3ccccc3
InChi:	InChI=1S/C18H21N3O3S/c19-25(23,24)17-8-6-15(7-9-17)18(22)21-11-10-20-16(13-21)12-14-4-2-1-3-5-14/h1-9,16,20H,10-13H2,(H2,19,23,24)/t16-/m1/s1
Definition date:	2017-11-07
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	4-[(3~{R})-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide

GUY

GUY
Name:	~{N}-(1-propyl-1,2,3,4-tetrazol-5-yl)furan-2-carboxamide
Formula:	C9 H11 N5 O2
SMILES:	CCCn1nnnc1NC(=O)c2occc2
InChi:	InChI=1S/C9H11N5O2/c1-2-5-14-9(11-12-13-14)10-8(15)7-4-3-6-16-7/h3-4,6H,2,5H2,1H3,(H,10,11,13,15)
Definition date:	2018-06-01
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	~{N}-(1-propyl-1,2,3,4-tetrazol-5-yl)furan-2-carboxamide

GV1

GV1
Name:	~{N},~{N},5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine
Formula:	C10 H13 N3 S
SMILES:	CN(C)c1ncnc2sc(C)c(C)c12
InChi:	InChI=1S/C10H13N3S/c1-6-7(2)14-10-8(6)9(13(3)4)11-5-12-10/h5H,1-4H3
Definition date:	2018-06-01
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	~{N},~{N},5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine

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