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OZ1

OZ1
Name:	4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-6-(6-hydroxyhexyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
Formula:	C22 H24 F2 N4 O4
SMILES:	c3cc(CNC(=O)C2=C(N)c1cc(CCCCCCO)cnc1N(C2=O)O)c(F)cc3F
InChi:	InChI=1S/C22H24F2N4O4/c23-15-7-6-14(17(24)10-15)12-27-21(30)18-19(25)16-9-13(5-3-1-2-4-8-29)11-26-20(16)28(32)22(18)31/h6-7,9-11,29,32H,1-5,8,12,25H2,(H,27,30)
Definition date:	2019-07-19
Last modified:	2020-02-07
Release date:	2020-02-12
Identifier:	4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-6-(6-hydroxyhexyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide

A0O

A0O
Name:	7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one
Formula:	C15 H16 O3
SMILES:	COc1ccc2C=CC(=O)Oc2c1CC=C(C)C
InChi:	InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3
Definition date:	2018-09-12
Last modified:	2020-02-07
Release date:	2020-02-12
Identifier:	7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one

N9G

N9G
Name:	6-({4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]pyridin-2-yl}amino)-N,N-dimethylpyridine-3-carboxamide
Formula:	C21 H22 N6 O2
SMILES:	C(N(C)C)(c1ccc(nc1)Nc4cc(N3C(C(C2CC2)(C#N)CC3)=O)ccn4)=O
InChi:	InChI=1S/C21H22N6O2/c1-26(2)19(28)14-3-6-17(24-12-14)25-18-11-16(7-9-23-18)27-10-8-21(13-22,20(27)29)15-4-5-15/h3,6-7,9,11-12,15H,4-5,8,10H2,1-2H3,(H,23,24,25)/t21-/m1/s1
Definition date:	2019-05-08
Last modified:	2020-02-07
Release date:	2020-02-12
Identifier:	6-({4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]pyridin-2-yl}amino)-N,N-dimethylpyridine-3-carboxamide

N9Q

N9Q
Name:	4-[[(2~{R})-1-[4-(3-chlorophenyl)phenyl]-4-oxidanyl-4-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid
Formula:	C20 H20 Cl N O5
SMILES:	OC(=O)CCC(=O)N[CH](CC(O)=O)Cc1ccc(cc1)c2cccc(Cl)c2
InChi:	InChI=1S/C20H20ClNO5/c21-16-3-1-2-15(11-16)14-6-4-13(5-7-14)10-17(12-20(26)27)22-18(23)8-9-19(24)25/h1-7,11,17H,8-10,12H2,(H,22,23)(H,24,25)(H,26,27)/t17-/m1/s1
Definition date:	2019-11-21
Last modified:	2020-02-07
Release date:	2020-02-12
Identifier:	4-[[(2~{R})-1-[4-(3-chlorophenyl)phenyl]-4-oxidanyl-4-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid

MV4

MV4
Name:	7-[(3R)-3-aminopyrrolidin-1-yl]-6-(naphthalen-1-yl)pyrido[2,3-d]pyrimidin-2-amine
Formula:	C21 H20 N6
SMILES:	c13nc(ncc1cc(c(N2CCC(N)C2)n3)c5c4ccccc4ccc5)N
InChi:	InChI=1S/C21H20N6/c22-15-8-9-27(12-15)20-18(10-14-11-24-21(23)26-19(14)25-20)17-7-3-5-13-4-1-2-6-16(13)17/h1-7,10-11,15H,8-9,12,22H2,(H2,23,24,25,26)/t15-/m1/s1
Definition date:	2019-04-17
Last modified:	2020-02-07
Release date:	2020-02-12
Identifier:	7-[(3R)-3-aminopyrrolidin-1-yl]-6-(naphthalen-1-yl)pyrido[2,3-d]pyrimidin-2-amine

MXQ

MXQ
Name:	(1~{R},9~{S})-5-(3-oxidanylpropyl)-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one
Formula:	C14 H20 N2 O2
SMILES:	OCCCC1=CC=C2[CH]3CNC[CH](C3)CN2C1=O
InChi:	InChI=1S/C14H20N2O2/c17-5-1-2-11-3-4-13-12-6-10(7-15-8-12)9-16(13)14(11)18/h3-4,10,12,15,17H,1-2,5-9H2/t10-,12+/m0/s1
Definition date:	2019-10-29
Last modified:	2020-02-07
Release date:	2020-02-12
Identifier:	(1~{R},9~{S})-5-(3-oxidanylpropyl)-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one

OKV

OKV
Name:	1-[5-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1H-indol-1-yl]ethan-1-one
Formula:	C21 H22 F3 N3 O3 S
SMILES:	c2cc1N(C(=O)C)CCc1cc2S(N4CCN(c3cc(ccc3)C(F)(F)F)CC4)(=O)=O
InChi:	InChI=1S/C21H22F3N3O3S/c1-15(28)27-8-7-16-13-19(5-6-20(16)27)31(29,30)26-11-9-25(10-12-26)18-4-2-3-17(14-18)21(22,23)24/h2-6,13-14H,7-12H2,1H3
Definition date:	2019-06-27
Last modified:	2020-02-07
Release date:	2020-02-12
Identifier:	1-[5-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1H-indol-1-yl]ethan-1-one

OKY

OKY
Name:	1-[5-({4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1H-indol-1-yl]ethan-1-one
Formula:	C21 H21 Cl F3 N3 O3 S
SMILES:	c2cc1N(C(C)=O)CCc1cc2S(N4CCN(c3cc(cc(c3)Cl)C(F)(F)F)CC4)(=O)=O
InChi:	InChI=1S/C21H21ClF3N3O3S/c1-14(29)28-5-4-15-10-19(2-3-20(15)28)32(30,31)27-8-6-26(7-9-27)18-12-16(21(23,24)25)11-17(22)13-18/h2-3,10-13H,4-9H2,1H3
Definition date:	2019-06-28
Last modified:	2020-02-07
Release date:	2020-02-12
Identifier:	1-[5-({4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1H-indol-1-yl]ethan-1-one

BV9

BV9
Name:	4-[5-(1-methylpyrazol-4-yl)pyridin-3-yl]benzamide
Formula:	C16 H14 N4 O
SMILES:	Cn1cc(cn1)c2cncc(c2)c3ccc(cc3)C(N)=O
InChi:	InChI=1S/C16H14N4O/c1-20-10-15(9-19-20)14-6-13(7-18-8-14)11-2-4-12(5-3-11)16(17)21/h2-10H,1H3,(H2,17,21)
Definition date:	2019-03-13
Last modified:	2020-02-07
Release date:	2020-02-12
Identifier:	4-[5-(1-methylpyrazol-4-yl)pyridin-3-yl]benzamide

CKL

CKL
Name:	4-[(2-azanyl-4-oxidanylidene-7,8-dihydro-3~{H}-pteridin-6-yl)methylamino]-~{N}-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
Formula:	C19 H21 N9 O5 S
SMILES:	COc1ncnc(N[S](=O)(=O)c2ccc(NCC3=NC4=C(NC3)N=C(N)NC4=O)cc2)c1OC
InChi:	InChI=1S/C19H21N9O5S/c1-32-14-16(23-9-24-18(14)33-2)28-34(30,31)12-5-3-10(4-6-12)21-7-11-8-22-15-13(25-11)17(29)27-19(20)26-15/h3-6,9,21H,7-8H2,1-2H3,(H,23,24,28)(H4,20,22,26,27,29)
Definition date:	2019-04-25
Last modified:	2020-02-07
Release date:	2020-02-12
Identifier:	4-[(2-azanyl-4-oxidanylidene-7,8-dihydro-3~{H}-pteridin-6-yl)methylamino]-~{N}-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide

EB6

EB6
Name:	methyl (2~{S})-3-[4-[3-(4-methoxy-2-oxidanyl-phenyl)prop-2-ynoyloxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoate
Formula:	C33 H27 N O7
SMILES:	COC(=O)[CH](Cc1ccc(OC(=O)C#Cc2ccc(OC)cc2O)cc1)Nc3ccccc3C(=O)c4ccccc4
InChi:	InChI=1S/C33H27NO7/c1-39-26-18-14-23(30(35)21-26)15-19-31(36)41-25-16-12-22(13-17-25)20-29(33(38)40-2)34-28-11-7-6-10-27(28)32(37)24-8-4-3-5-9-24/h3-14,16-18,21,29,34-35H,20H2,1-2H3/t29-/m0/s1
Definition date:	2019-12-06
Last modified:	2020-02-07
Release date:	2020-02-12
Identifier:	methyl (2~{S})-3-[4-[3-(4-methoxy-2-oxidanyl-phenyl)prop-2-ynoyloxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoate

EBF

EBF
Name:	7-methoxychromen-2-one
Formula:	C10 H8 O3
SMILES:	COc1ccc2C=CC(=O)Oc2c1
InChi:	InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3
Definition date:	2019-12-06
Last modified:	2020-02-07
Release date:	2020-02-12
Identifier:	7-methoxychromen-2-one

PQV

PQV
Name:	(2E)-N-[2-(azepan-1-yl)ethyl]-2-(hydroxyimino)acetamide
Formula:	C10 H19 N3 O2
SMILES:	C1N(CCCCC1)CCNC(C=NO)=O
InChi:	InChI=1S/C10H19N3O2/c14-10(9-12-15)11-5-8-13-6-3-1-2-4-7-13/h9,15H,1-8H2,(H,11,14)/b12-9+
Definition date:	2019-08-23
Last modified:	2020-02-07
Release date:	2020-02-12
Identifier:	(2E)-N-[2-(azepan-1-yl)ethyl]-2-(hydroxyimino)acetamide

PQY

PQY
Name:	(2E,2'E)-N,N'-[1,4-diazepane-1,4-diyldi(ethane-2,1-diyl)]bis[2-(hydroxyimino)acetamide]
Formula:	C13 H24 N6 O4
SMILES:	N1(CCNC(C=NO)=O)CCN(CCNC([C@H]=NO)=O)CCC1
InChi:	InChI=1S/C13H24N6O4/c20-12(10-16-22)14-2-6-18-4-1-5-19(9-8-18)7-3-15-13(21)11-17-23/h10-11,22-23H,1-9H2,(H,14,20)(H,15,21)/b16-10+,17-11+
Definition date:	2019-08-23
Last modified:	2020-02-07
Release date:	2020-02-12
Identifier:	(2E,2'E)-N,N'-[1,4-diazepane-1,4-diyldi(ethane-2,1-diyl)]bis[2-(hydroxyimino)acetamide]

S6M

S6M
Name:	[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-[1-(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)-1,2,3-triazol-4-yl]oxolan-2-yl]methyl dihydrogen phosphate
Formula:	C20 H31 N6 O9 P
SMILES:	CC1(C)CC(CC(C)(C)N1O)n2cc(nn2)[CH]3[CH](O)[CH](CO[P](O)(O)=O)O[CH]3N4C=CC(=O)NC4=O
InChi:	InChI=1S/C20H31N6O9P/c1-19(2)7-11(8-20(3,4)26(19)30)25-9-12(22-23-25)15-16(28)13(10-34-36(31,32)33)35-17(15)24-6-5-14(27)21-18(24)29/h5-6,9,11,13,15-17,28,30H,7-8,10H2,1-4H3,(H,21,27,29)(H2,31,32,33)/t13-,15-,16-,17-/m1/s1
Definition date:	2019-01-25
Last modified:	2020-02-07
Release date:	2020-02-12
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-[1-(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)-1,2,3-triazol-4-yl]oxolan-2-yl]methyl dihydrogen phosphate

WI5

WI5
Name:	{(3R)-5-methyl-3-[(morpholin-4-yl)methyl]-2,3-dihydro[1,4]oxazino[2,3,4-hi]indol-6-yl}(naphthalen-1-yl)methanone
Formula:	C27 H26 N2 O3
SMILES:	c2ccc1cccc(c1c2)C(=O)c3c(C)n5C(COc4cccc3c45)CN6CCOCC6
InChi:	InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
Definition date:	2019-07-15
Last modified:	2020-02-07
Release date:	2020-02-12
Identifier:	{(3R)-5-methyl-3-[(morpholin-4-yl)methyl]-2,3-dihydro[1,4]oxazino[2,3,4-hi]indol-6-yl}(naphthalen-1-yl)methanone

J1W

J1W
Name:	2-Bromopalmitic acid
Formula:	C16 H31 Br O2
SMILES:	CCCCCCCCCCCCCC[CH](Br)C(O)=O
InChi:	InChI=1S/C16H31BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14H2,1H3,(H,18,19)/t15-/m1/s1
Definition date:	2019-01-12
Last modified:	2020-01-31
Release date:	2020-02-05
Identifier:	(2~{R})-2-bromanylhexadecanoic acid

J2E

J2E
Name:	1-cycloheptyl-3-[3-(cyclopentyloxy)-4-methoxyphenyl]-4,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one
Formula:	C24 H34 N2 O3
SMILES:	COc1ccc(cc1OC2CCCC2)C3=NN(C4CCCCCC4)C(=O)C3(C)C
InChi:	InChI=1S/C24H34N2O3/c1-24(2)22(25-26(23(24)27)18-10-6-4-5-7-11-18)17-14-15-20(28-3)21(16-17)29-19-12-8-9-13-19/h14-16,18-19H,4-13H2,1-3H3
Definition date:	2019-01-13
Last modified:	2020-01-31
Release date:	2020-02-05
Identifier:	2-cycloheptyl-5-(3-cyclopentyloxy-4-methoxy-phenyl)-4,4-dimethyl-pyrazol-3-one

J2H

J2H
Name:	8-[(3-methylpyridin-2-yl)methyl]-3-(4-phenylphenyl)-1-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
Formula:	C30 H28 N6 O2
SMILES:	Cc1cccnc1CN2CCC3(CC2)N(C(=O)N(c4ccc(cc4)c5ccccc5)C3=O)c6ncccn6
InChi:	InChI=1S/C30H28N6O2/c1-22-7-5-16-31-26(22)21-34-19-14-30(15-20-34)27(37)35(29(38)36(30)28-32-17-6-18-33-28)25-12-10-24(11-13-25)23-8-3-2-4-9-23/h2-13,16-18H,14-15,19-21H2,1H3
Definition date:	2019-01-14
Last modified:	2020-01-31
Release date:	2020-02-05
Identifier:	8-[(3-methylpyridin-2-yl)methyl]-3-(4-phenylphenyl)-1-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione

J32

J32
Name:	[(2~{S})-1-oxidanyl-3-[[4-(2-pyren-1-ylethynyl)phenyl]methoxy]propan-2-yl] dihydrogen phosphate
Formula:	C28 H23 O6 P
SMILES:	OC[CH](COCc1ccc(cc1)C#Cc2ccc3ccc4cccc5ccc2c3c45)O[P](O)(O)=O
InChi:	InChI=1S/C28H23O6P/c29-16-25(34-35(30,31)32)18-33-17-20-6-4-19(5-7-20)8-9-21-10-11-24-13-12-22-2-1-3-23-14-15-26(21)28(24)27(22)23/h1-7,10-15,25,29H,16-18H2,(H2,30,31,32)/t25-/m0/s1
Definition date:	2019-01-16
Last modified:	2020-01-31
Release date:	2020-02-05
Identifier:	[(2~{S})-1-oxidanyl-3-[[4-(2-pyren-1-ylethynyl)phenyl]methoxy]propan-2-yl] dihydrogen phosphate

J3S

J3S
Name:	(6S)-6,8-disulfanyloctanamide
Formula:	C8 H17 N O S2
SMILES:	C(CCCCC(CCS)S)(N)=O
InChi:	InChI=1S/C8H17NOS2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H2,9,10)/t7-/m0/s1
Definition date:	2018-08-07
Last modified:	2020-01-31
Release date:	2020-02-05
Identifier:	(6S)-6,8-disulfanyloctanamide

L1S

L1S
Name:	methyl 2-{4-[4-(7-carbamoyl-1H-benzimidazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}pyrimidine-5-carboxylate
Formula:	C25 H23 N7 O4
SMILES:	O=C(c5c4nc(c3ccc(C(N2CCN(c1ncc(cn1)C(OC)=O)CC2)=O)cc3)nc4ccc5)N
InChi:	InChI=1S/C25H23N7O4/c1-36-24(35)17-13-27-25(28-14-17)32-11-9-31(10-12-32)23(34)16-7-5-15(6-8-16)22-29-19-4-2-3-18(21(26)33)20(19)30-22/h2-8,13-14H,9-12H2,1H3,(H2,26,33)(H,29,30)
Definition date:	2019-01-31
Last modified:	2020-01-31
Release date:	2020-02-05
Identifier:	methyl 2-{4-[4-(7-carbamoyl-1H-benzimidazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}pyrimidine-5-carboxylate

L1V

L1V
Name:	4-[(1R,2S)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid
Formula:	C15 H16 O5
SMILES:	C1CC(C(CC(=O)O)C1)C(c2ccc(cc2)C(O)=O)=O
InChi:	InChI=1S/C15H16O5/c16-13(17)8-11-2-1-3-12(11)14(18)9-4-6-10(7-5-9)15(19)20/h4-7,11-12H,1-3,8H2,(H,16,17)(H,19,20)/t11-,12+/m0/s1
Definition date:	2019-01-31
Last modified:	2020-01-31
Release date:	2020-02-05
Identifier:	4-[(1R,2S)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid

L1Y

L1Y
Name:	4-[(1S,2R)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid
Formula:	C15 H16 O5
SMILES:	C1(C(CCC1)CC(=O)O)C(c2ccc(cc2)C(O)=O)=O
InChi:	InChI=1S/C15H16O5/c16-13(17)8-11-2-1-3-12(11)14(18)9-4-6-10(7-5-9)15(19)20/h4-7,11-12H,1-3,8H2,(H,16,17)(H,19,20)/t11-,12+/m1/s1
Definition date:	2019-01-31
Last modified:	2020-01-31
Release date:	2020-02-05
Identifier:	4-[(1S,2R)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid

H8R

H8R
Name:	(2~{S})-3-methyl-2-[(4-octoxyphenyl)carbonylamino]butanoic acid
Formula:	C20 H31 N O4
SMILES:	CCCCCCCCOc1ccc(cc1)C(=O)N[CH](C(C)C)C(O)=O
InChi:	InChI=1S/C20H31NO4/c1-4-5-6-7-8-9-14-25-17-12-10-16(11-13-17)19(22)21-18(15(2)3)20(23)24/h10-13,15,18H,4-9,14H2,1-3H3,(H,21,22)(H,23,24)/t18-/m0/s1
Definition date:	2019-01-23
Last modified:	2020-01-31
Release date:	2020-02-05
Identifier:	(2~{S})-3-methyl-2-[(4-octoxyphenyl)carbonylamino]butanoic acid

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