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G4F

G4F
Name:	[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S},6~{R})-5-fluoranyl-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl] hydrogen phosphate
Formula:	C16 H24 F N5 O15 P2
SMILES:	NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[CH]4O[CH](CO)[CH](F)[CH](O)[CH]4O)[CH](O)[CH]3O
InChi:	InChI=1S/C16H24FN5O15P2/c17-6-4(1-23)35-15(11(27)9(6)25)36-39(31,32)37-38(29,30)33-2-5-8(24)10(26)14(34-5)22-3-19-7-12(22)20-16(18)21-13(7)28/h3-6,8-11,14-15,23-27H,1-2H2,(H,29,30)(H,31,32)(H3,18,20,21,28)/t4-,5-,6-,8-,9+,10-,11+,14-,15-/m1/s1
Definition date:	2018-06-06
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S},6~{R})-5-fluoranyl-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl] hydrogen phosphate

GWG

GWG
Name:	1-methylindazole-3-carboxamide
Formula:	C9 H9 N3 O
SMILES:	Cn1nc(C(N)=O)c2ccccc12
InChi:	InChI=1S/C9H9N3O/c1-12-7-5-3-2-4-6(7)8(11-12)9(10)13/h2-5H,1H3,(H2,10,13)
Definition date:	2018-06-01
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	1-methylindazole-3-carboxamide

GWP

GWP
Name:	2-cyclopropyl-1~{H}-imidazole-4-carboxamide
Formula:	C7 H9 N3 O
SMILES:	NC(=O)c1c[nH]c(n1)C2CC2
InChi:	InChI=1S/C7H9N3O/c8-6(11)5-3-9-7(10-5)4-1-2-4/h3-4H,1-2H2,(H2,8,11)(H,9,10)
Definition date:	2018-06-01
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	2-cyclopropyl-1~{H}-imidazole-4-carboxamide

GWS

GWS
Name:	2-cyclohexyl-~{N}-pyridin-3-yl-ethanamide
Formula:	C13 H18 N2 O
SMILES:	O=C(CC1CCCCC1)Nc2cccnc2
InChi:	InChI=1S/C13H18N2O/c16-13(9-11-5-2-1-3-6-11)15-12-7-4-8-14-10-12/h4,7-8,10-11H,1-3,5-6,9H2,(H,15,16)
Definition date:	2018-06-01
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	2-cyclohexyl-~{N}-pyridin-3-yl-ethanamide

GWV

GWV
Name:	~{N},~{N}-dimethyl-4-[(propan-2-ylamino)methyl]aniline
Formula:	C12 H20 N2
SMILES:	CC(C)NCc1ccc(cc1)N(C)C
InChi:	InChI=1S/C12H20N2/c1-10(2)13-9-11-5-7-12(8-6-11)14(3)4/h5-8,10,13H,9H2,1-4H3
Definition date:	2018-06-01
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	~{N},~{N}-dimethyl-4-[(propan-2-ylamino)methyl]aniline

GX4

GX4
Name:	cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
Formula:	C14 H17 F N2 O
SMILES:	Fc1ccc(cc1)N2CCN(CC2)C(=O)C3CC3
InChi:	InChI=1S/C14H17FN2O/c15-12-3-5-13(6-4-12)16-7-9-17(10-8-16)14(18)11-1-2-11/h3-6,11H,1-2,7-10H2
Definition date:	2018-06-01
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone

GX7

GX7
Name:	5-(cyclohexylamino)pyrimidine-2,4(1H,3H)-dione
Formula:	C10 H15 N3 O2
SMILES:	N1C=C(C(NC1=O)=O)NC2CCCCC2
InChi:	InChI=1S/C10H15N3O2/c14-9-8(6-11-10(15)13-9)12-7-4-2-1-3-5-7/h6-7,12H,1-5H2,(H2,11,13,14,15)
Definition date:	2018-06-01
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	5-(cyclohexylamino)pyrimidine-2,4(1H,3H)-dione

H1V

H1V
Name:	N,N'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis{2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide}
Formula:	C44 H46 Cl2 N10 O4 S2
SMILES:	c7(c(c6C(c1ccc(cc1)Cl)=NC(CC(=O)NCCOCCOCCNC(CC2c5nnc(C)n5c4c(C(=N2)c3ccc(cc3)Cl)c(c(s4)C)C)=O)c8n(c6s7)c(nn8)C)C)C
InChi:	InChI=1S/C44H46Cl2N10O4S2/c1-23-25(3)61-43-37(23)39(29-7-11-31(45)12-8-29)49-33(41-53-51-27(5)55(41)43)21-35(57)47-15-17-59-19-20-60-18-16-48-36(58)22-34-42-54-52-28(6)56(42)44-38(24(2)26(4)62-44)40(50-34)30-9-13-32(46)14-10-30/h7-14,33-34H,15-22H2,1-6H3,(H,47,57)(H,48,58)/t33-,34-/m0/s1
Definition date:	2018-06-10
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	N,N'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis{2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide}

HH4

HH4
Name:	4-(4-tert-butylphenyl)-4-oxobutanoic acid
Formula:	C14 H18 O3
SMILES:	c1(ccc(C(CCC(O)=O)=O)cc1)C(C)(C)C
InChi:	InChI=1S/C14H18O3/c1-14(2,3)11-6-4-10(5-7-11)12(15)8-9-13(16)17/h4-7H,8-9H2,1-3H3,(H,16,17)
Definition date:	2018-07-02
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	4-(4-tert-butylphenyl)-4-oxobutanoic acid

R91

R91
Name:	1-[4-(difluoromethoxy)-3-{[(3R)-oxolan-3-yl]oxy}phenyl]-3-methylbutan-1-one
Formula:	C16 H20 F2 O4
SMILES:	FC(F)Oc2c(OC1CCOC1)cc(cc2)C(=O)CC(C)C
InChi:	InChI=1S/C16H20F2O4/c1-10(2)7-13(19)11-3-4-14(22-16(17)18)15(8-11)21-12-5-6-20-9-12/h3-4,8,10,12,16H,5-7,9H2,1-2H3/t12-/m1/s1
Definition date:	2017-07-19
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	1-[4-(difluoromethoxy)-3-{[(3R)-oxolan-3-yl]oxy}phenyl]-3-methylbutan-1-one

9N9

9N9
Name:	(E,2S)-2-[(1R,3aS,4E,7aR)-7a-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]oct-6-en-4-yn-3-one
Formula:	C27 H36 O3
SMILES:	C2(C1CCC(C(C(=O)C#C[C@H]=CC)C)C1(CCC2)C)=C/C=C3CC(/C(C(C3)O)=C)O
InChi:	InChI=1S/C27H36O3/c1-5-6-7-10-24(28)18(2)22-13-14-23-21(9-8-15-27(22,23)4)12-11-20-16-25(29)19(3)26(30)17-20/h5-6,11-12,18,22-23,25-26,29-30H,3,8-9,13-17H2,1-2,4H3/b6-5+,21-12+/t18-,22+,23-,25+,26+,27+/m0/s1
Definition date:	2018-06-05
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	(2S,6E)-2-[(1R,3R,7E,17beta)-1,3-dihydroxy-2-methylidene-9,10-secoestra-5,7-dien-17-yl]oct-6-en-4-yn-3-one

9R9

9R9
Name:	1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol
Formula:	C13 H15 Cl N2 O
SMILES:	C1C(CCCC1)(c3c2cnnc2cc(Cl)c3)O
InChi:	InChI=1S/C13H15ClN2O/c14-9-6-11(10-8-15-16-12(10)7-9)13(17)4-2-1-3-5-13/h6-8,17H,1-5H2,(H,15,16)
Definition date:	2018-06-27
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol

A5J

A5J
Name:	(1R)-1-[6-amino-5-(dihydroxyamino)-2-hydroxypyridin-3-yl]-1,4-anhydro-2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-D-erythro-pentitol
Formula:	C10 H18 N3 O15 P3
SMILES:	N(c1c(nc(c(c1)C2CC(O)C(O2)COP(=O)(O)OP(O)(=O)OP(=O)(O)O)O)N)(O)O
InChi:	InChI=1S/C10H18N3O15P3/c11-9-5(13(16)17)1-4(10(15)12-9)7-2-6(14)8(26-7)3-25-30(21,22)28-31(23,24)27-29(18,19)20/h1,6-8,14,16-17H,2-3H2,(H,21,22)(H,23,24)(H3,11,12,15)(H2,18,19,20)/t6-,7+,8+/m0/s1
Definition date:	2017-07-10
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	(1R)-1-[6-amino-5-(dihydroxyamino)-2-hydroxypyridin-3-yl]-1,4-anhydro-2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-D-erythro-pentitol

A81

A81
Name:	6,6'-(4-nitro-1H-pyrazole-3,5-diyl)bis(3-bromopyrazolo[1,5-a]pyrimidin-2(1H)-one)
Formula:	C15 H7 Br2 N9 O4
SMILES:	C2=NC1=C(C(NN1C=C2c5c([N+]([O-])=O)c(C=3C=NC=4N(C=3)NC(C=4Br)=O)nn5)=O)Br
InChi:	InChI=1S/C15H7Br2N9O4/c16-7-12-18-1-5(3-24(12)22-14(7)27)9-11(26(29)30)10(21-20-9)6-2-19-13-8(17)15(28)23-25(13)4-6/h1-4H,(H,20,21)(H,22,27)(H,23,28)
Definition date:	2017-07-11
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	6,6'-(4-nitro-1H-pyrazole-3,5-diyl)bis(3-bromopyrazolo[1,5-a]pyrimidin-2(1H)-one)

LB1

LB1
Name:	(1S,2R,3S,4R)-3-(4-methylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Formula:	C13 H20 N2 O4
SMILES:	C2(C(C(N1CCN(CC1)C)=O)C3CCC2O3)C(O)=O
InChi:	InChI=1S/C13H20N2O4/c1-14-4-6-15(7-5-14)12(16)10-8-2-3-9(19-8)11(10)13(17)18/h8-11H,2-7H2,1H3,(H,17,18)/t8-,9+,10-,11+/m1/s1
Definition date:	2017-07-17
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	(1S,2R,3S,4R)-3-(4-methylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

VA6

VA6
Name:	9-{2-deoxy-5-O-[(S)-{[(S)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-D-erythro-pentofuranosyl}-9H-purin-6-amine
Formula:	C11 H16 F2 N5 O11 P3
SMILES:	n1c(c2c(nc1)n(cn2)C3CC(O)C(COP(O)(=O)OP(C(P(O)(O)=O)(F)F)(O)=O)O3)N
InChi:	InChI=1S/C11H16F2N5O11P3/c12-11(13,30(20,21)22)31(23,24)29-32(25,26)27-2-6-5(19)1-7(28-6)18-4-17-8-9(14)15-3-16-10(8)18/h3-7,19H,1-2H2,(H,23,24)(H,25,26)(H2,14,15,16)(H2,20,21,22)/t5-,6+,7-/m0/s1
Definition date:	2018-03-22
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	9-{2-deoxy-5-O-[(S)-{[(S)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-D-erythro-pentofuranosyl}-9H-purin-6-amine

AKJ

AKJ
Name:	1-[4-(difluoromethoxy)-3-{[(3S)-oxolan-3-yl]oxy}phenyl]-3-methylbutan-1-one
Formula:	C16 H20 F2 O4
SMILES:	C(F)(F)Oc2c(OC1COCC1)cc(cc2)C(=O)CC(C)C
InChi:	InChI=1S/C16H20F2O4/c1-10(2)7-13(19)11-3-4-14(22-16(17)18)15(8-11)21-12-5-6-20-9-12/h3-4,8,10,12,16H,5-7,9H2,1-2H3/t12-/m0/s1
Definition date:	2017-07-19
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	1-[4-(difluoromethoxy)-3-{[(3S)-oxolan-3-yl]oxy}phenyl]-3-methylbutan-1-one

8O0

8O0
Name:	Hapalindole A
Formula:	C21 H23 Cl N2
SMILES:	CC1(C)[CH]2C[CH](Cl)[C](C)(C=C)[CH]([N+]#[C-])[CH]2c3c[nH]c4cccc1c34
InChi:	InChI=1S/C21H23ClN2/c1-6-21(4)16(22)10-14-18(19(21)23-5)12-11-24-15-9-7-8-13(17(12)15)20(14,2)3/h6-9,11,14,16,18-19,24H,1,10H2,2-4H3/t14-,16+,18-,19+,21-/m0/s1
Definition date:	2017-08-21
Last modified:	2018-07-13
Release date:	2018-07-18

8P6

8P6
Name:	Hapalindole U
Formula:	C21 H24 N2
SMILES:	CC1(C)[CH]2CC[C](C)(C=C)[CH]([N+]#[C-])[CH]2c3c[nH]c4cccc1c34
InChi:	InChI=1S/C21H24N2/c1-6-21(4)11-10-15-18(19(21)22-5)13-12-23-16-9-7-8-14(17(13)16)20(15,2)3/h6-9,12,15,18-19,23H,1,10-11H2,2-4H3/t15-,18+,19+,21-/m0/s1
Definition date:	2017-08-23
Last modified:	2018-07-13
Release date:	2018-07-18

AYW

AYW
Name:	4-methyl-6-oxidanyl-1-benzofuran-3-one
Formula:	C9 H8 O3
SMILES:	Cc1cc(O)cc2OCC(=O)c12
InChi:	InChI=1S/C9H8O3/c1-5-2-6(10)3-8-9(5)7(11)4-12-8/h2-3,10H,4H2,1H3
Definition date:	2017-08-31
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	4-methyl-6-oxidanyl-1-benzofuran-3-one

EAE

EAE
Name:	(1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one
Formula:	C13 H15 N O2 S
SMILES:	CCN1C(Sc2ccc(OC)cc12)=CC(C)=O
InChi:	InChI=1S/C13H15NO2S/c1-4-14-11-8-10(16-3)5-6-12(11)17-13(14)7-9(2)15/h5-8H,4H2,1-3H3/b13-7-
Definition date:	2018-03-12
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	(1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one

EAQ

EAQ
Name:	6-~{tert}-butyl-~{N}-[6-(1~{H}-pyrazol-4-yl)-1~{H}-imidazo[1,2-a]pyridin-2-yl]pyridine-3-carboxamide
Formula:	C20 H21 N6 O
SMILES:	CC(C)(C)c1ccc(cn1)C(=O)Nc2[nH]c3ccc(c[n]3c2)c4c[nH]nc4
InChi:	InChI=1S/C20H21N6O/c1-20(2,3)16-6-4-13(8-21-16)19(27)25-17-12-26-11-14(5-7-18(26)24-17)15-9-22-23-10-15/h4-12,24H,1-3H3,(H,22,23)(H,25,27)
Definition date:	2018-03-12
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	6-~{tert}-butyl-~{N}-[6-(1~{H}-pyrazol-4-yl)-1~{H}-imidazo[1,2-a]pyridin-2-yl]pyridine-3-carboxamide

EAZ

EAZ
Name:	(2~{S})-4-methyl-1-[5-(3-methyl-2~{H}-indazol-5-yl)pyridin-3-yl]oxy-pentan-2-amine
Formula:	C19 H24 N4 O
SMILES:	CC(C)C[CH](N)COc1cncc(c1)c2ccc3n[nH]c(C)c3c2
InChi:	InChI=1S/C19H24N4O/c1-12(2)6-16(20)11-24-17-7-15(9-21-10-17)14-4-5-19-18(8-14)13(3)22-23-19/h4-5,7-10,12,16H,6,11,20H2,1-3H3,(H,22,23)/t16-/m0/s1
Definition date:	2018-03-12
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	(2~{S})-4-methyl-1-[5-(3-methyl-2~{H}-indazol-5-yl)pyridin-3-yl]oxy-pentan-2-amine

EE8

EE8
Name:	~{N}-(3-chloranyl-4-ethoxy-phenyl)ethanamide
Formula:	C10 H12 Cl N O2
SMILES:	CCOc1ccc(NC(C)=O)cc1Cl
InChi:	InChI=1S/C10H12ClNO2/c1-3-14-10-5-4-8(6-9(10)11)12-7(2)13/h4-6H,3H2,1-2H3,(H,12,13)
Definition date:	2018-03-15
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	~{N}-(3-chloranyl-4-ethoxy-phenyl)ethanamide

EEZ

EEZ
Name:	~{N}-[5-chloranyl-6-[(1~{S})-1-phenylethoxy]pyridin-3-yl]-2-(4-ethylsulfonylphenyl)ethanamide
Formula:	C23 H23 Cl N2 O4 S
SMILES:	CC[S](=O)(=O)c1ccc(CC(=O)Nc2cnc(O[CH](C)c3ccccc3)c(Cl)c2)cc1
InChi:	InChI=1S/C23H23ClN2O4S/c1-3-31(28,29)20-11-9-17(10-12-20)13-22(27)26-19-14-21(24)23(25-15-19)30-16(2)18-7-5-4-6-8-18/h4-12,14-16H,3,13H2,1-2H3,(H,26,27)/t16-/m0/s1
Definition date:	2018-03-16
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	~{N}-[5-chloranyl-6-[(1~{S})-1-phenylethoxy]pyridin-3-yl]-2-(4-ethylsulfonylphenyl)ethanamide

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