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3NQ

3NQ
Name:	6-oxime-17-(3-pyridyl)-androst-16-en-3-ol
Formula:	C24 H32 N2 O2
SMILES:	ON=C3/CC5C2C(C(c1cccnc1)=CC2)(C)CCC5C4(C)CCC(O)CC34
InChi:	InChI=1S/C24H32N2O2/c1-23-10-8-20-17(19(23)6-5-18(23)15-4-3-11-25-14-15)13-22(26-28)21-12-16(27)7-9-24(20,21)2/h3-5,11,14,16-17,19-21,27-28H,6-10,12-13H2,1-2H3/b26-22+/t16-,17-,19-,20-,21+,23+,24+/m0/s1
Definition date:	2014-09-26
Last modified:	2018-06-01
Release date:	2018-06-06
Identifier:	(3alpha,5alpha,6E,8alpha)-6-(hydroxyimino)-17-(pyridin-3-yl)androst-16-en-3-ol

3NR

3NR
Name:	6-cyano-17-(3-pyridyl)-androst-5,16-dien-3-ol
Formula:	C25 H30 N2 O
SMILES:	N#CC4=C1CC(O)CCC1(C)C5CCC3(C(c2cccnc2)=CCC3C5C4)C
InChi:	InChI=1S/C25H30N2O/c1-24-10-8-22-19(21(24)6-5-20(24)16-4-3-11-27-15-16)12-17(14-26)23-13-18(28)7-9-25(22,23)2/h3-5,11,15,18-19,21-22,28H,6-10,12-13H2,1-2H3/t18-,19-,21-,22-,24+,25+/m0/s1
Definition date:	2014-09-26
Last modified:	2018-06-01
Release date:	2018-06-06
Identifier:	(3alpha,8alpha)-3-hydroxy-17-(pyridin-3-yl)androsta-5,16-diene-6-carbonitrile

3NX

3NX
Name:	3-hydroxy-17-(3-pyridyl)-androst-5,16-dien-6-amide
Formula:	C25 H32 N2 O2
SMILES:	O=C(N)C4=C1CC(O)CCC1(C)C5CCC3(C(c2cccnc2)=CCC3C5C4)C
InChi:	InChI=1S/C25H32N2O2/c1-24-10-8-21-17(20(24)6-5-19(24)15-4-3-11-27-14-15)13-18(23(26)29)22-12-16(28)7-9-25(21,22)2/h3-5,11,14,16-17,20-21,28H,6-10,12-13H2,1-2H3,(H2,26,29)/t16-,17-,20-,21-,24+,25+/m0/s1
Definition date:	2014-09-26
Last modified:	2018-06-01
Release date:	2018-06-06
Identifier:	(3alpha,8alpha)-3-hydroxy-17-(pyridin-3-yl)androsta-5,16-diene-6-carboxamide

8H6

8H6
Name:	S-[2-[3-[[(2R)-3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoylamino]ethyl] (2R)-2-methyl-3-oxidanylidene-pentanethioate
Formula:	C17 H30 N2 O6 S
SMILES:	CCC(=O)[CH](C)C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO
InChi:	InChI=1S/C17H30N2O6S/c1-5-12(21)11(2)16(25)26-9-8-18-13(22)6-7-19-15(24)14(23)17(3,4)10-20/h11,14,20,23H,5-10H2,1-4H3,(H,18,22)(H,19,24)/t11-,14+/m1/s1
Definition date:	2017-07-07
Last modified:	2018-06-01
Release date:	2018-06-06
Identifier:	~{S}-[2-[3-[[(2~{R})-3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoylamino]ethyl] (2~{R})-2-methyl-3-oxidanylidene-pentanethioate

8JL

8JL
Name:	4-fluoranyl-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid
Formula:	C18 H14 F N O5 S
SMILES:	COc1ccc(c2ccccc12)[S](=O)(=O)Nc3cc(ccc3F)C(O)=O
InChi:	InChI=1S/C18H14FNO5S/c1-25-16-8-9-17(13-5-3-2-4-12(13)16)26(23,24)20-15-10-11(18(21)22)6-7-14(15)19/h2-10,20H,1H3,(H,21,22)
Definition date:	2017-07-19
Last modified:	2018-06-01
Release date:	2018-06-06
Identifier:	4-fluoranyl-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid

8JO

8JO
Name:	2-fluoranyl-5-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid
Formula:	C18 H14 F N O5 S
SMILES:	COc1ccc(c2ccccc12)[S](=O)(=O)Nc3ccc(F)c(c3)C(O)=O
InChi:	InChI=1S/C18H14FNO5S/c1-25-16-8-9-17(13-5-3-2-4-12(13)16)26(23,24)20-11-6-7-15(19)14(10-11)18(21)22/h2-10,20H,1H3,(H,21,22)
Definition date:	2017-07-19
Last modified:	2018-06-01
Release date:	2018-06-06
Identifier:	2-fluoranyl-5-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid

8JR

8JR
Name:	2-fluoranyl-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid
Formula:	C18 H14 F N O5 S
SMILES:	COc1ccc(c2ccccc12)[S](=O)(=O)Nc3cccc(C(O)=O)c3F
InChi:	InChI=1S/C18H14FNO5S/c1-25-15-9-10-16(12-6-3-2-5-11(12)15)26(23,24)20-14-8-4-7-13(17(14)19)18(21)22/h2-10,20H,1H3,(H,21,22)
Definition date:	2017-07-20
Last modified:	2018-06-01
Release date:	2018-06-06
Identifier:	2-fluoranyl-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid

8JX

8JX
Name:	5-[(4-methoxynaphthalen-1-yl)sulfonylamino]pentanoic acid
Formula:	C16 H19 N O5 S
SMILES:	COc1ccc(c2ccccc12)[S](=O)(=O)NCCCCC(O)=O
InChi:	InChI=1S/C16H19NO5S/c1-22-14-9-10-15(13-7-3-2-6-12(13)14)23(20,21)17-11-5-4-8-16(18)19/h2-3,6-7,9-10,17H,4-5,8,11H2,1H3,(H,18,19)
Definition date:	2017-07-20
Last modified:	2018-06-01
Release date:	2018-06-06
Identifier:	5-[(4-methoxynaphthalen-1-yl)sulfonylamino]pentanoic acid

8K0

8K0
Name:	5-[(4-bromanylnaphthalen-1-yl)sulfonylamino]pentanoic acid
Formula:	C15 H16 Br N O4 S
SMILES:	OC(=O)CCCCN[S](=O)(=O)c1ccc(Br)c2ccccc12
InChi:	InChI=1S/C15H16BrNO4S/c16-13-8-9-14(12-6-2-1-5-11(12)13)22(20,21)17-10-4-3-7-15(18)19/h1-2,5-6,8-9,17H,3-4,7,10H2,(H,18,19)
Definition date:	2017-07-20
Last modified:	2018-06-01
Release date:	2018-06-06
Identifier:	5-[(4-bromanylnaphthalen-1-yl)sulfonylamino]pentanoic acid

9A3

9A3
Name:	(2S)-8-benzyl-2-hydroperoxy-6-(4-hydroxyphenyl)-2-{[4-(trifluoromethyl)phenyl]methyl}imidazo[1,2-a]pyrazin-3(2H)-one
Formula:	C27 H20 F3 N3 O4
SMILES:	c5(CC=2C1=NC(C(N1C=C(N=2)c3ccc(cc3)O)=O)(OO)Cc4ccc(cc4)C(F)(F)F)ccccc5
InChi:	InChI=1S/C27H20F3N3O4/c28-27(29,30)20-10-6-18(7-11-20)15-26(37-36)25(35)33-16-23(19-8-12-21(34)13-9-19)31-22(24(33)32-26)14-17-4-2-1-3-5-17/h1-13,16,34,36H,14-15H2/t26-/m0/s1
Definition date:	2018-02-09
Last modified:	2018-06-01
Release date:	2018-06-06
Identifier:	(2S)-8-benzyl-2-hydroperoxy-6-(4-hydroxyphenyl)-2-{[4-(trifluoromethyl)phenyl]methyl}imidazo[1,2-a]pyrazin-3(2H)-one

BZW

BZW
Name:	4-[(3~{S})-4-ethanoyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
Formula:	C20 H23 N3 O4 S
SMILES:	CC(=O)N1CCN(C[CH]1Cc2ccccc2)C(=O)c3ccc(cc3)[S](N)(=O)=O
InChi:	InChI=1S/C20H23N3O4S/c1-15(24)23-12-11-22(14-18(23)13-16-5-3-2-4-6-16)20(25)17-7-9-19(10-8-17)28(21,26)27/h2-10,18H,11-14H2,1H3,(H2,21,26,27)/t18-/m0/s1
Definition date:	2017-11-02
Last modified:	2018-06-01
Release date:	2018-06-06
Identifier:	4-[(3~{S})-4-ethanoyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide

CNZ

CNZ
Name:	L-gamma-glutamyl-S-(2-biphenyl-4-yl-2-oxoethyl)-L-cysteinylglycine
Formula:	C24 H28 N3 O7 S
SMILES:	[NH3+][CH](CCC(=O)N[CH](CSCC(=O)c1ccc(cc1)c2ccccc2)C(=O)NCC(O)=O)C(O)=O
InChi:	InChI=1S/C24H27N3O7S/c25-18(24(33)34)10-11-21(29)27-19(23(32)26-12-22(30)31)13-35-14-20(28)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,18-19H,10-14,25H2,(H,26,32)(H,27,29)(H,30,31)(H,33,34)/p+1/t18-,19-/m0/s1
Definition date:	2017-12-01
Last modified:	2018-06-01
Release date:	2018-06-06
Identifier:	[(2~{S})-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]sulfanyl-propan-2-yl]amino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]azanium

CUH

CUH
Name:	2,3,4-Trihydroxybenzophenone
Formula:	C13 H10 O4
SMILES:	Oc1ccc(c(O)c1O)C(=O)c2ccccc2
InChi:	InChI=1S/C13H10O4/c14-10-7-6-9(12(16)13(10)17)11(15)8-4-2-1-3-5-8/h1-7,14,16-17H
Definition date:	2017-12-05
Last modified:	2018-06-01
Release date:	2018-06-06
Identifier:	phenyl-[2,3,4-tris(oxidanyl)phenyl]methanone

CUQ

CUQ
Name:	[3,4-bis(oxidanyl)phenyl]-phenyl-methanone
Formula:	C13 H10 O3
SMILES:	Oc1ccc(cc1O)C(=O)c2ccccc2
InChi:	InChI=1S/C13H10O3/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8,14-15H
Definition date:	2017-12-05
Last modified:	2018-06-01
Release date:	2018-06-06
Identifier:	[3,4-bis(oxidanyl)phenyl]-phenyl-methanone

CUT

CUT
Name:	[2,4-bis(oxidanyl)phenyl]-phenyl-methanone
Formula:	C13 H10 O3
SMILES:	Oc1ccc(c(O)c1)C(=O)c2ccccc2
InChi:	InChI=1S/C13H10O3/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h1-8,14-15H
Definition date:	2017-12-05
Last modified:	2018-06-01
Release date:	2018-06-06
Identifier:	[2,4-bis(oxidanyl)phenyl]-phenyl-methanone

CWE

CWE
Name:	R-naringenin
Formula:	C15 H12 O5
SMILES:	Oc1ccc(cc1)[CH]2CC(=O)c3c(O)cc(O)cc3O2
InChi:	InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m1/s1
Definition date:	2017-12-11
Last modified:	2018-06-01
Release date:	2018-06-06
Identifier:	(2~{R})-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one

8UC

8UC
Name:	(3~{S})-6'-azanyl-7-fluoranyl-2,2,3'-trimethyl-5-pyridin-4-yl-spiro[1~{H}-indene-3,4'-2~{H}-pyrano[2,3-c]pyrazole]-5'-carbonitrile
Formula:	C23 H20 F N5 O
SMILES:	Cc1[nH]nc2OC(=C(C#N)[C]3(c4cc(cc(F)c4CC3(C)C)c5ccncc5)c12)N
InChi:	InChI=1S/C23H20FN5O/c1-12-19-21(29-28-12)30-20(26)17(11-25)23(19)16-8-14(13-4-6-27-7-5-13)9-18(24)15(16)10-22(23,2)3/h4-9H,10,26H2,1-3H3,(H,28,29)/t23-/m1/s1
Definition date:	2017-09-26
Last modified:	2018-06-01
Release date:	2018-06-06
Identifier:	(3~{S})-6'-azanyl-7-fluoranyl-2,2,3'-trimethyl-5-pyridin-4-yl-spiro[1~{H}-indene-3,4'-2~{H}-pyrano[2,3-c]pyrazole]-5'-carbonitrile

8UF

8UF
Name:	2-[1-[(3~{S})-6'-azanyl-5'-cyano-7-fluoranyl-2,2,3'-trimethyl-spiro[1~{H}-indene-3,4'-2~{H}-pyrano[2,3-c]pyrazole]-5-yl]piperidin-4-yl]ethanoic acid
Formula:	C25 H28 F N5 O3
SMILES:	Cc1[nH]nc2OC(=C(C#N)[C]3(c4cc(cc(F)c4CC3(C)C)N5CCC(CC5)CC(O)=O)c12)N
InChi:	InChI=1S/C25H28FN5O3/c1-13-21-23(30-29-13)34-22(28)18(12-27)25(21)17-9-15(10-19(26)16(17)11-24(25,2)3)31-6-4-14(5-7-31)8-20(32)33/h9-10,14H,4-8,11,28H2,1-3H3,(H,29,30)(H,32,33)/t25-/m1/s1
Definition date:	2017-09-26
Last modified:	2018-06-01
Release date:	2018-06-06
Identifier:	2-[1-[(3~{S})-6'-azanyl-5'-cyano-7-fluoranyl-2,2,3'-trimethyl-spiro[1~{H}-indene-3,4'-2~{H}-pyrano[2,3-c]pyrazole]-5-yl]piperidin-4-yl]ethanoic acid

8UO

8UO
Name:	2-[1-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]piperidin-4-yl]ethanoic acid
Formula:	C24 H28 F N5 O3
SMILES:	CC(C)[C]1(c2cc(F)cc(c2)N3CCC(CC3)CC(O)=O)C(=C(N)Oc4n[nH]c(C)c14)C#N
InChi:	InChI=1S/C24H28FN5O3/c1-13(2)24(19(12-26)22(27)33-23-21(24)14(3)28-29-23)16-9-17(25)11-18(10-16)30-6-4-15(5-7-30)8-20(31)32/h9-11,13,15H,4-8,27H2,1-3H3,(H,28,29)(H,31,32)/t24-/m0/s1
Definition date:	2017-09-26
Last modified:	2018-06-01
Release date:	2018-06-06
Identifier:	2-[1-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]piperidin-4-yl]ethanoic acid

8XL

8XL
Name:	3-[(Z)-2-isocyanoethenyl]-1H-indole
Formula:	C11 H8 N2
SMILES:	c2ccc1c([C@H]=[C@H][N+]#[C-])cnc1c2
InChi:	InChI=1S/C11H8N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-8,13H/b7-6-
Definition date:	2017-11-01
Last modified:	2018-06-01
Release date:	2018-06-06
Identifier:	3-[(Z)-2-isocyanoethenyl]-1H-indole

D9W

D9W
Name:	~{N}-[3-[(3~{R})-5-azanyl-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide
Formula:	C17 H17 Br N4 O2
SMILES:	C[C]1(COCC(=N1)N)c2cccc(NC(=O)c3ccc(Br)cn3)c2
InChi:	InChI=1S/C17H17BrN4O2/c1-17(10-24-9-15(19)22-17)11-3-2-4-13(7-11)21-16(23)14-6-5-12(18)8-20-14/h2-8H,9-10H2,1H3,(H2,19,22)(H,21,23)/t17-/m0/s1
Definition date:	2018-01-11
Last modified:	2018-06-01
Release date:	2018-06-06
Identifier:	~{N}-[3-[(3~{R})-5-azanyl-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide

DVK

DVK
Name:	2-[4-(4-azanylbutyl)piperazin-1-yl]ethanol
Formula:	C10 H23 N3 O
SMILES:	NCCCCN1CCN(CCO)CC1
InChi:	InChI=1S/C10H23N3O/c11-3-1-2-4-12-5-7-13(8-6-12)9-10-14/h14H,1-11H2
Definition date:	2018-02-02
Last modified:	2018-06-01
Release date:	2018-06-06
Identifier:	2-[4-(4-azanylbutyl)piperazin-1-yl]ethanol

DVQ

DVQ
Name:	2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol
Formula:	C8 H18 N2 O2
SMILES:	OCCN1CCN(CCO)CC1
InChi:	InChI=1S/C8H18N2O2/c11-7-5-9-1-2-10(4-3-9)6-8-12/h11-12H,1-8H2
Definition date:	2018-02-02
Last modified:	2018-06-01
Release date:	2018-06-06
Identifier:	2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol

E1T

E1T
Name:	1,8-naphthyridine-2-carboxylic acid
Formula:	C9 H6 N2 O2
SMILES:	OC(=O)c1ccc2cccnc2n1
InChi:	InChI=1S/C9H6N2O2/c12-9(13)7-4-3-6-2-1-5-10-8(6)11-7/h1-5H,(H,12,13)
Definition date:	2018-02-09
Last modified:	2018-06-01
Release date:	2018-06-06
Identifier:	1,8-naphthyridine-2-carboxylic acid

E7E

E7E
Name:	~{N}4-[3-(aminomethyl)phenyl]-1~{H}-indole-2,4-dicarboxamide
Formula:	C17 H16 N4 O2
SMILES:	NCc1cccc(NC(=O)c2cccc3[nH]c(cc23)C(N)=O)c1
InChi:	InChI=1S/C17H16N4O2/c18-9-10-3-1-4-11(7-10)20-17(23)12-5-2-6-14-13(12)8-15(21-14)16(19)22/h1-8,21H,9,18H2,(H2,19,22)(H,20,23)
Definition date:	2018-02-26
Last modified:	2018-06-01
Release date:	2018-06-06
Identifier:	~{N}4-[3-(aminomethyl)phenyl]-1~{H}-indole-2,4-dicarboxamide

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