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HVD

HVD
Name:	(1'R,2'R)-5'-methyl-6-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol
Formula:	C21 H30 O2
SMILES:	C=1(CCC(C(C=1)c2c(CCCCC)cc(cc2O)O)C(=C)C)C
InChi:	InChI=1S/C21H30O2/c1-5-6-7-8-16-12-17(22)13-20(23)21(16)19-11-15(4)9-10-18(19)14(2)3/h11-13,18-19,22-23H,2,5-10H2,1,3-4H3/t18-,19+/m0/s1
Definition date:	2018-07-23
Last modified:	2019-02-08
Release date:	2019-02-13
Identifier:	(1'R,2'R)-5'-methyl-6-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol

HVJ

HVJ
Name:	(1'R,2'R)-5',6-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol
Formula:	C17 H22 O2
SMILES:	c1(C)c(c(O)cc(c1)O)C2C(C(/C)=C)CCC(C)=C2
InChi:	InChI=1S/C17H22O2/c1-10(2)14-6-5-11(3)7-15(14)17-12(4)8-13(18)9-16(17)19/h7-9,14-15,18-19H,1,5-6H2,2-4H3/t14-,15+/m0/s1
Definition date:	2018-07-24
Last modified:	2019-02-08
Release date:	2019-02-13
Identifier:	(1'R,2'R)-5',6-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol

J87

J87
Name:	N-[2-methoxy-4-(morpholin-4-yl)phenyl]-2-(pyridin-3-yl)-1,3-thiazole-5-carboxamide
Formula:	C20 H20 N4 O3 S
SMILES:	c4(c1cnccc1)ncc(C(Nc2c(cc(cc2)N3CCOCC3)OC)=O)s4
InChi:	InChI=1S/C20H20N4O3S/c1-26-17-11-15(24-7-9-27-10-8-24)4-5-16(17)23-19(25)18-13-22-20(28-18)14-3-2-6-21-12-14/h2-6,11-13H,7-10H2,1H3,(H,23,25)
Definition date:	2018-08-22
Last modified:	2019-02-08
Release date:	2019-02-13
Identifier:	N-[2-methoxy-4-(morpholin-4-yl)phenyl]-2-(pyridin-3-yl)-1,3-thiazole-5-carboxamide

9RD

9RD
Name:	(cyclohex-1-ene-1,2-diamine)platinum(2+)
Formula:	C6 H12 N2 Pt
SMILES:	[Pt+2]1[nH+]c2c([nH+]1)CCCC2
InChi:	InChI=1S/C6H12N2.Pt/c7-5-3-1-2-4-6(5)8
Definition date:	2017-06-02
Last modified:	2019-02-08
Release date:	2019-02-13
Identifier:	(cyclohex-1-ene-1,2-diamine-kappa~2~N,N')platinum(4+)

9A6

9A6
Name:	7-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]quinazolin-4-amine
Formula:	C25 H27 N7
SMILES:	CN1CCN(CC1)c3cc4nc([C@H]=Cc2ccccc2)nc(c4cc3)Nc5cc(nn5)C
InChi:	InChI=1S/C25H27N7/c1-18-16-24(30-29-18)28-25-21-10-9-20(32-14-12-31(2)13-15-32)17-22(21)26-23(27-25)11-8-19-6-4-3-5-7-19/h3-11,16-17H,12-15H2,1-2H3,(H2,26,27,28,29,30)/b11-8+
Definition date:	2018-02-13
Last modified:	2019-02-08
Release date:	2019-02-13
Identifier:	7-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]quinazolin-4-amine

EDK

EDK
Name:	(2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid
Formula:	C30 H29 N3 O4
SMILES:	CN(CCOc1ccc(C[CH](Nc2ccccc2C(=O)c3ccccc3)C(O)=O)cc1)c4ccccn4
InChi:	InChI=1S/C30H29N3O4/c1-33(28-13-7-8-18-31-28)19-20-37-24-16-14-22(15-17-24)21-27(30(35)36)32-26-12-6-5-11-25(26)29(34)23-9-3-2-4-10-23/h2-18,27,32H,19-21H2,1H3,(H,35,36)/t27-/m0/s1
Definition date:	2018-03-15
Last modified:	2019-02-08
Release date:	2019-02-13
Identifier:	(2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid

B5K

B5K
Name:	3-[(1~{R})-2-(~{tert}-butylamino)-1-[methanoyl-[[3,4,5-tris(fluoranyl)phenyl]methyl]amino]-2-oxidanylidene-ethyl]-6-chloranyl-1~{H}-indole-2-carboxylic acid
Formula:	C23 H21 Cl F3 N3 O4
SMILES:	CC(C)(C)NC(=O)[CH](N(Cc1cc(F)c(F)c(F)c1)C=O)c2c([nH]c3cc(Cl)ccc23)C(O)=O
InChi:	InChI=1S/C23H21ClF3N3O4/c1-23(2,3)29-21(32)20(30(10-31)9-11-6-14(25)18(27)15(26)7-11)17-13-5-4-12(24)8-16(13)28-19(17)22(33)34/h4-8,10,20,28H,9H2,1-3H3,(H,29,32)(H,33,34)/t20-/m1/s1
Definition date:	2017-09-15
Last modified:	2019-02-08
Release date:	2019-02-13
Identifier:	3-[(1~{R})-2-(~{tert}-butylamino)-1-[methanoyl-[[3,4,5-tris(fluoranyl)phenyl]methyl]amino]-2-oxidanylidene-ethyl]-6-chloranyl-1~{H}-indole-2-carboxylic acid

EUY

EUY
Name:	(2R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-{2-oxo-4-[4-(2H-1,2,3-triazol-2-yl)phenyl]pyridin-1(2H)-yl}butanamide
Formula:	C19 H21 N5 O5 S
SMILES:	C3(C=C(c1ccc(cc1)n2nccn2)C=CN3CCC(C)(S(C)(=O)=O)C(NO)=O)=O
InChi:	InChI=1S/C19H21N5O5S/c1-19(18(26)22-27,30(2,28)29)8-12-23-11-7-15(13-17(23)25)14-3-5-16(6-4-14)24-20-9-10-21-24/h3-7,9-11,13,27H,8,12H2,1-2H3,(H,22,26)/t19-/m1/s1
Definition date:	2018-02-02
Last modified:	2019-02-08
Release date:	2019-02-13
Identifier:	(2R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-{2-oxo-4-[4-(2H-1,2,3-triazol-2-yl)phenyl]pyridin-1(2H)-yl}butanamide

EZ7

EZ7
Name:	N-[2-(2-{4-[(R)-(2-methyl-2H-tetrazol-5-yl)(phenyl)methyl]piperazine-1-carbonyl}pyridin-4-yl)-1,3-benzoxazol-5-yl]acetamide
Formula:	C28 H27 N9 O3
SMILES:	c2c(cc1nc(oc1c2)c3ccnc(c3)C(N4CCN(CC4)C(c5ccccc5)c6nnn(n6)C)=O)NC(C)=O
InChi:	InChI=1S/C28H27N9O3/c1-18(38)30-21-8-9-24-22(17-21)31-27(40-24)20-10-11-29-23(16-20)28(39)37-14-12-36(13-15-37)25(19-6-4-3-5-7-19)26-32-34-35(2)33-26/h3-11,16-17,25H,12-15H2,1-2H3,(H,30,38)/t25-/m1/s1
Definition date:	2018-02-14
Last modified:	2019-02-08
Release date:	2019-02-13
Identifier:	N-[2-(2-{4-[(R)-(2-methyl-2H-tetrazol-5-yl)(phenyl)methyl]piperazine-1-carbonyl}pyridin-4-yl)-1,3-benzoxazol-5-yl]acetamide

FNB

FNB
Name:	1-[2-chloranyl-7-[(1~{R},2~{R})-1,2-dimethoxypropyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloranyl-6-(1,2,3-triazol-2-yl)pyridin-3-yl]urea
Formula:	C19 H19 Cl2 N9 O3
SMILES:	CO[CH](C)[CH](OC)c1n2nc(Cl)cc2ncc1NC(=O)Nc3cnc(n4nccn4)c(Cl)c3
InChi:	InChI=1S/C19H19Cl2N9O3/c1-10(32-2)17(33-3)16-13(9-22-15-7-14(21)28-29(15)16)27-19(31)26-11-6-12(20)18(23-8-11)30-24-4-5-25-30/h4-10,17H,1-3H3,(H2,26,27,31)/t10-,17+/m1/s1
Definition date:	2018-07-20
Last modified:	2019-02-08
Release date:	2019-02-13
Identifier:	1-[2-chloranyl-7-[(1~{R},2~{R})-1,2-dimethoxypropyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloranyl-6-(1,2,3-triazol-2-yl)pyridin-3-yl]urea

FWN

FWN
Name:	2-[2-(2-ethoxyethoxy)ethoxy]ethanol
Formula:	C8 H18 O4
SMILES:	CCOCCOCCOCCO
InChi:	InChI=1S/C8H18O4/c1-2-10-5-6-12-8-7-11-4-3-9/h9H,2-8H2,1H3
Definition date:	2018-08-08
Last modified:	2019-02-08
Release date:	2019-02-13
Identifier:	2-[2-(2-ethoxyethoxy)ethoxy]ethanol

FWQ

FWQ
Name:	p-sulfonatocalix[6]arene
Formula:	C42 H30 O24 S6
SMILES:	Oc1c2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc6cc(cc(Cc7cc(cc(Cc1cc(c2)[S]([O-])(=O)=O)c7O)[S]([O-])(=O)=O)c6O)[S]([O-])(=O)=O)c5O)[S]([O-])(=O)=O)c4O)[S]([O-])(=O)=O)c3O)[S]([O-])(=O)=O
InChi:	InChI=1S/C42H36O24S6/c43-37-19-1-20-8-32(68(52,53)54)10-22(38(20)44)3-24-12-34(70(58,59)60)14-26(40(24)46)5-28-16-36(72(64,65)66)18-30(42(28)48)6-29-17-35(71(61,62)63)15-27(41(29)47)4-25-13-33(69(55,56)57)11-23(39(25)45)2-21(37)9-31(7-19)67(49,50)51/h7-18,43-48H,1-6H2,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)/p-6
Definition date:	2018-08-08
Last modified:	2019-02-08
Release date:	2019-02-13

6RN

6RN
Name:	4-methoxy-N-[(pyridin-2-yl)methyl]aniline
Formula:	C13 H14 N2 O
SMILES:	c2(NCc1ncccc1)ccc(OC)cc2
InChi:	InChI=1S/C13H14N2O/c1-16-13-7-5-11(6-8-13)15-10-12-4-2-3-9-14-12/h2-9,15H,10H2,1H3
Definition date:	2016-06-07
Last modified:	2019-02-07
Release date:	2016-07-27
Identifier:	4-methoxy-N-[(pyridin-2-yl)methyl]aniline

J9Y

J9Y
Name:	(2S)-2-amino-5-{[(E)-amino(methylamino)methylidene](hydroxy)azaniumyl}pentanoate
Formula:	C7 H16 N4 O3
SMILES:	NC(CCC/[N+](O)=C(/N)NC)C([O-])=O
InChi:	InChI=1S/C7H16N4O3/c1-10-7(9)11(14)4-2-3-5(8)6(12)13/h5,14H,2-4,8H2,1H3,(H3,9,10,12,13)/t5-/m0/s1
Definition date:	2018-08-27
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	(2S)-2-amino-5-{[(E)-amino(methylamino)methylidene](hydroxy)azaniumyl}pentanoate

KC1

KC1
Name:	Chlorophyll c1
Formula:	C35 H30 Mg N4 O5
SMILES:	N16C=3C(=C(C1=CC=7C(=C(C(=Cc2n(c5c(c2C)C(C(C(=O)OC)C5=C4C(=C(C(C=3)=N4)C)C=CC(=O)O)=O)[Mg]6)N=7)CC)C)C=C)C
InChi:	InChI=1S/C35H32N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22
Definition date:	2018-10-17
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	(2E)-3-[(21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3,4-didehydrophorbin-3-yl-kappa~2~N~23~,N~25~]prop-2-enoato(2-)magnesium

KC2

KC2
Name:	Chlorophyll c2
Formula:	C35 H28 Mg N4 O5
SMILES:	N16C=3C(=C(C1=CC=7C(=C(C(=Cc2n(c5c(c2C)C(C(C(=O)OC)C5=C4C(=C(C(C=3)=N4)C)C=CC(=O)O)=O)[Mg]6)N=7)C=C)C)C=C)C
InChi:	InChI=1S/C35H30N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22
Definition date:	2018-10-17
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	(2E)-3-[(21R)-9,14-diethenyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3,4-didehydrophorbin-3-yl-kappa~2~N~23~,N~25~]prop-2-enoato(2-)magnesium

JXP

JXP
Name:	7-[(4-chloro-3'-fluoro[1,1'-biphenyl]-3-yl)methoxy]-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
Formula:	C18 H13 Cl F N5 O
SMILES:	c1(cccc(c1)F)c2cc(c(cc2)Cl)COc4cc(nc3c4nnn3)N
InChi:	InChI=1S/C18H13ClFN5O/c19-14-5-4-11(10-2-1-3-13(20)7-10)6-12(14)9-26-15-8-16(21)22-18-17(15)23-25-24-18/h1-8H,9H2,(H3,21,22,23,24,25)
Definition date:	2018-10-09
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	7-[(4-chloro-3'-fluoro[1,1'-biphenyl]-3-yl)methoxy]-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine

JXS

JXS
Name:	7-{[3-(1-methyl-1H-pyrazol-3-yl)phenyl]methoxy}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
Formula:	C16 H15 N7 O
SMILES:	c3c(COc2cc(nc1nnnc12)N)cccc3c4ccn(C)n4
InChi:	InChI=1S/C16H15N7O/c1-23-6-5-12(21-23)11-4-2-3-10(7-11)9-24-13-8-14(17)18-16-15(13)19-22-20-16/h2-8H,9H2,1H3,(H3,17,18,19,20,22)
Definition date:	2018-10-09
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	7-{[3-(1-methyl-1H-pyrazol-3-yl)phenyl]methoxy}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine

KHD

KHD
Name:	N-(3-{[2-amino-3-(4-phenoxyphenyl)pyridin-4-yl]oxy}phenyl)propanamide
Formula:	C26 H23 N3 O3
SMILES:	n4c(N)c(c1ccc(cc1)Oc2ccccc2)c(Oc3cc(NC(=O)CC)ccc3)cc4
InChi:	InChI=1S/C26H23N3O3/c1-2-24(30)29-19-7-6-10-22(17-19)32-23-15-16-28-26(27)25(23)18-11-13-21(14-12-18)31-20-8-4-3-5-9-20/h3-17H,2H2,1H3,(H2,27,28)(H,29,30)
Definition date:	2018-12-05
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	N-(3-{[2-amino-3-(4-phenoxyphenyl)pyridin-4-yl]oxy}phenyl)propanamide

H8B

H8B
Name:	7-[[2-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine
Formula:	C18 H19 N3 O
SMILES:	CNCc1ccccc1OCc2ccc3ccc(N)nc3c2
InChi:	InChI=1S/C18H19N3O/c1-20-11-15-4-2-3-5-17(15)22-12-13-6-7-14-8-9-18(19)21-16(14)10-13/h2-10,20H,11-12H2,1H3,(H2,19,21)
Definition date:	2019-01-26
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	7-[[2-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine

HVW

HVW
Name:	(2~{S})-4-methyl-~{N}-prop-2-enyl-2-[[(1~{S})-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide
Formula:	C24 H29 F3 N2 O3 S
SMILES:	CC(C)C[CH](N[CH](c1ccc(cc1)c2ccc(cc2)[S](C)(=O)=O)C(F)(F)F)C(=O)NCC=C
InChi:	InChI=1S/C24H29F3N2O3S/c1-5-14-28-23(30)21(15-16(2)3)29-22(24(25,26)27)19-8-6-17(7-9-19)18-10-12-20(13-11-18)33(4,31)32/h5-13,16,21-22,29H,1,14-15H2,2-4H3,(H,28,30)/t21-,22-/m0/s1
Definition date:	2018-12-21
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	(2~{S})-4-methyl-~{N}-prop-2-enyl-2-[[(1~{S})-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide

J2N

J2N
Name:	(3~{S})-~{N}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide
Formula:	C13 H16 N4 O2
SMILES:	NC(=N)c1ccc(NC(=O)[CH]2CCCNC2=O)cc1
InChi:	InChI=1S/C13H16N4O2/c14-11(15)8-3-5-9(6-4-8)17-13(19)10-2-1-7-16-12(10)18/h3-6,10H,1-2,7H2,(H3,14,15)(H,16,18)(H,17,19)/t10-/m0/s1
Definition date:	2019-01-16
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	(3~{S})-~{N}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide

J2Q

J2Q
Name:	~{N}-(4-carbamimidoylphenyl)-3-ethoxy-2-oxidanyl-benzamide
Formula:	C16 H17 N3 O3
SMILES:	CCOc1cccc(c1O)C(=O)Nc2ccc(cc2)C(N)=N
InChi:	InChI=1S/C16H17N3O3/c1-2-22-13-5-3-4-12(14(13)20)16(21)19-11-8-6-10(7-9-11)15(17)18/h3-9,20H,2H2,1H3,(H3,17,18)(H,19,21)
Definition date:	2019-01-16
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	~{N}-(4-carbamimidoylphenyl)-3-ethoxy-2-oxidanyl-benzamide

J2W

J2W
Name:	~{N}-(4-carbamimidoylphenyl)-3-methoxy-2-oxidanyl-benzamide
Formula:	C15 H15 N3 O3
SMILES:	COc1cccc(c1O)C(=O)Nc2ccc(cc2)C(N)=N
InChi:	InChI=1S/C15H15N3O3/c1-21-12-4-2-3-11(13(12)19)15(20)18-10-7-5-9(6-8-10)14(16)17/h2-8,19H,1H3,(H3,16,17)(H,18,20)
Definition date:	2019-01-16
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	~{N}-(4-carbamimidoylphenyl)-3-methoxy-2-oxidanyl-benzamide

J3B

J3B
Name:	(3~{R})-~{N}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide
Formula:	C13 H16 N4 O2
SMILES:	NC(=N)c1ccc(NC(=O)[CH]2CCCNC2=O)cc1
InChi:	InChI=1S/C13H16N4O2/c14-11(15)8-3-5-9(6-4-8)17-13(19)10-2-1-7-16-12(10)18/h3-6,10H,1-2,7H2,(H3,14,15)(H,16,18)(H,17,19)/t10-/m1/s1
Definition date:	2019-01-17
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	(3~{R})-~{N}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide

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