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79F

79F
Name:	(2~{S})-4-methyl-2-[[(2~{S})-3-oxidanyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]pentanoic acid
Formula:	C18 H28 N3 O8 P
SMILES:	CC(C)C[CH](NC(=O)[CH](CO)N[P](O)(=O)CNC(=O)OCc1ccccc1)C(O)=O
InChi:	InChI=1S/C18H28N3O8P/c1-12(2)8-14(17(24)25)20-16(23)15(9-22)21-30(27,28)11-19-18(26)29-10-13-6-4-3-5-7-13/h3-7,12,14-15,22H,8-11H2,1-2H3,(H,19,26)(H,20,23)(H,24,25)(H2,21,27,28)/t14-,15-/m0/s1
Definition date:	2016-09-16
Last modified:	2017-08-11
Release date:	2017-08-16
Identifier:	(2~{S})-4-methyl-2-[[(2~{S})-3-oxidanyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]pentanoic acid

7BF

7BF
Name:	5-[[(2~{R})-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methoxy]isoquinoline
Formula:	C19 H18 N6 O
SMILES:	C1C[CH](COc2cccc3cnccc23)N(C1)c4ccnc5ncnn45
InChi:	InChI=1S/C19H18N6O/c1-3-14-11-20-8-6-16(14)17(5-1)26-12-15-4-2-10-24(15)18-7-9-21-19-22-13-23-25(18)19/h1,3,5-9,11,13,15H,2,4,10,12H2/t15-/m1/s1
Definition date:	2016-09-29
Last modified:	2017-08-11
Release date:	2017-08-16
Identifier:	5-[[(2~{R})-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methoxy]isoquinoline

7BH

7BH
Name:	6-[(2~{R})-2-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-7~{H}-purine
Formula:	C17 H19 N5 O
SMILES:	Cc1ccccc1OC[CH]2CCCN2c3ncnc4nc[nH]c34
InChi:	InChI=1S/C17H19N5O/c1-12-5-2-3-7-14(12)23-9-13-6-4-8-22(13)17-15-16(19-10-18-15)20-11-21-17/h2-3,5,7,10-11,13H,4,6,8-9H2,1H3,(H,18,19,20,21)/t13-/m1/s1
Definition date:	2016-09-29
Last modified:	2017-08-11
Release date:	2017-08-16
Identifier:	6-[(2~{R})-2-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-7~{H}-purine

7C8

7C8
Name:	[3,5-bis(chloranyl)phenyl]methyl 4-[(4~{R})-4-[(3~{R},5~{S},7~{S},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentyl]piperazine-1-carboxylate
Formula:	C36 H54 Cl2 N2 O4
SMILES:	C[CH](CCCN1CCN(CC1)C(=O)OCc2cc(Cl)cc(Cl)c2)[CH]3CC[CH]4[CH]5[CH](O)C[CH]6C[CH](O)CC[C]6(C)[CH]5CC[C]34C
InChi:	InChI=1S/C36H54Cl2N2O4/c1-23(5-4-12-39-13-15-40(16-14-39)34(43)44-22-24-17-26(37)21-27(38)18-24)29-6-7-30-33-31(9-11-36(29,30)3)35(2)10-8-28(41)19-25(35)20-32(33)42/h17-18,21,23,25,28-33,41-42H,4-16,19-20,22H2,1-3H3/t23-,25+,28-,29-,30+,31+,32+,33+,35+,36-/m1/s1
Definition date:	2016-10-05
Last modified:	2017-08-11
Release date:	2017-08-16
Identifier:	[3,5-bis(chloranyl)phenyl]methyl 4-[(4~{R})-4-[(3~{R},5~{S},7~{S},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentyl]piperazine-1-carboxylate

7CF

7CF
Name:	[3,5-bis(chloranyl)phenyl]methyl (3~{R})-3-[[(4~{R})-4-[(3~{R},5~{S},7~{S},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pyrrolidine-1-carboxylate
Formula:	C36 H52 Cl2 N2 O5
SMILES:	C[CH](CCC(=O)N[CH]1CCN(C1)C(=O)OCc2cc(Cl)cc(Cl)c2)[CH]3CC[CH]4[CH]5[CH](O)C[CH]6C[CH](O)CC[C]6(C)[CH]5CC[C]34C
InChi:	InChI=1S/C36H52Cl2N2O5/c1-21(4-7-32(43)39-26-10-13-40(19-26)34(44)45-20-22-14-24(37)18-25(38)15-22)28-5-6-29-33-30(9-12-36(28,29)3)35(2)11-8-27(41)16-23(35)17-31(33)42/h14-15,18,21,23,26-31,33,41-42H,4-13,16-17,19-20H2,1-3H3,(H,39,43)/t21-,23+,26-,27-,28-,29+,30+,31+,33+,35+,36-/m1/s1
Definition date:	2016-10-05
Last modified:	2017-08-11
Release date:	2017-08-16
Identifier:	[3,5-bis(chloranyl)phenyl]methyl (3~{R})-3-[[(4~{R})-4-[(3~{R},5~{S},7~{S},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pyrrolidine-1-carboxylate

7CR

7CR
Name:	[3,5-bis(chloranyl)phenyl]methyl 4-[(3~{R})-3-oxidanyl-3-(2-oxidanylidene-3~{H}-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate
Formula:	C22 H23 Cl2 N3 O5
SMILES:	O[CH](CCN1CCN(CC1)C(=O)OCc2cc(Cl)cc(Cl)c2)c3ccc4NC(=O)Oc4c3
InChi:	InChI=1S/C22H23Cl2N3O5/c23-16-9-14(10-17(24)12-16)13-31-22(30)27-7-5-26(6-8-27)4-3-19(28)15-1-2-18-20(11-15)32-21(29)25-18/h1-2,9-12,19,28H,3-8,13H2,(H,25,29)/t19-/m1/s1
Definition date:	2016-10-05
Last modified:	2017-08-11
Release date:	2017-08-16
Identifier:	[3,5-bis(chloranyl)phenyl]methyl 4-[(3~{R})-3-oxidanyl-3-(2-oxidanylidene-3~{H}-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate

7CW

7CW
Name:	[3,5-bis(chloranyl)phenyl]methyl ~{N}-[2-[[(4~{R})-4-[(3~{R},5~{S},7~{S},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethyl]carbamate
Formula:	C34 H50 Cl2 N2 O5
SMILES:	C[CH](CCC(=O)NCCNC(=O)OCc1cc(Cl)cc(Cl)c1)[CH]2CC[CH]3[CH]4[CH](O)C[CH]5C[CH](O)CC[C]5(C)[CH]4CC[C]23C
InChi:	InChI=1S/C34H50Cl2N2O5/c1-20(4-7-30(41)37-12-13-38-32(42)43-19-21-14-23(35)18-24(36)15-21)26-5-6-27-31-28(9-11-34(26,27)3)33(2)10-8-25(39)16-22(33)17-29(31)40/h14-15,18,20,22,25-29,31,39-40H,4-13,16-17,19H2,1-3H3,(H,37,41)(H,38,42)/t20-,22+,25-,26-,27+,28+,29+,31+,33+,34-/m1/s1
Definition date:	2016-10-06
Last modified:	2017-08-11
Release date:	2017-08-16
Identifier:	[3,5-bis(chloranyl)phenyl]methyl ~{N}-[2-[[(4~{R})-4-[(3~{R},5~{S},7~{S},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethyl]carbamate

7GR

7GR
Name:	(2~{S})-4-methyl-2-[2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]ethanoylamino]pentanoic acid
Formula:	C17 H26 N3 O7 P
SMILES:	CC(C)C[CH](NC(=O)CN[P](O)(=O)CNC(=O)OCc1ccccc1)C(O)=O
InChi:	InChI=1S/C17H26N3O7P/c1-12(2)8-14(16(22)23)20-15(21)9-19-28(25,26)11-18-17(24)27-10-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,18,24)(H,20,21)(H,22,23)(H2,19,25,26)/t14-/m0/s1
Definition date:	2016-10-21
Last modified:	2017-08-11
Release date:	2017-08-16
Identifier:	(2~{S})-4-methyl-2-[2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]ethanoylamino]pentanoic acid

7K0

7K0
Name:	(2~{S})-2-[[(2~{S})-3-azanyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]-4-methyl-pentanoic acid
Formula:	C18 H29 N4 O7 P
SMILES:	CC(C)C[CH](NC(=O)[CH](CN)N[P](O)(=O)CNC(=O)OCc1ccccc1)C(O)=O
InChi:	InChI=1S/C18H29N4O7P/c1-12(2)8-14(17(24)25)21-16(23)15(9-19)22-30(27,28)11-20-18(26)29-10-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11,19H2,1-2H3,(H,20,26)(H,21,23)(H,24,25)(H2,22,27,28)/t14-,15-/m0/s1
Definition date:	2016-11-03
Last modified:	2017-08-11
Release date:	2017-08-16
Identifier:	(2~{S})-2-[[(2~{S})-3-azanyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]-4-methyl-pentanoic acid

9OG

9OG
Name:	4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)benzonitrile
Formula:	C20 H20 N4
SMILES:	C(Cc1ccc(C#N)cc1)NCc2ccc3c(c2)nc(N)cc3C
InChi:	InChI=1S/C20H20N4/c1-14-10-20(22)24-19-11-17(6-7-18(14)19)13-23-9-8-15-2-4-16(12-21)5-3-15/h2-7,10-11,23H,8-9,13H2,1H3,(H2,22,24)
Definition date:	2017-05-23
Last modified:	2017-08-11
Release date:	2017-08-16
Identifier:	4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)benzonitrile

9OJ

9OJ
Name:	4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile
Formula:	C21 H22 N4
SMILES:	N#Cc1c(C)cc(cc1)CCNCc2cc3c(cc2)c(cc(n3)N)C
InChi:	InChI=1S/C21H22N4/c1-14-9-16(3-5-18(14)12-22)7-8-24-13-17-4-6-19-15(2)10-21(23)25-20(19)11-17/h3-6,9-11,24H,7-8,13H2,1-2H3,(H2,23,25)
Definition date:	2017-05-23
Last modified:	2017-08-11
Release date:	2017-08-16
Identifier:	4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile

9OM

9OM
Name:	7-({[3-(4-methylpyridin-3-yl)propyl]amino}methyl)quinolin-2-amine
Formula:	C19 H22 N4
SMILES:	Nc1ccc2c(n1)cc(cc2)CNCCCc3c(C)ccnc3
InChi:	InChI=1S/C19H22N4/c1-14-8-10-22-13-17(14)3-2-9-21-12-15-4-5-16-6-7-19(20)23-18(16)11-15/h4-8,10-11,13,21H,2-3,9,12H2,1H3,(H2,20,23)
Definition date:	2017-05-23
Last modified:	2017-08-11
Release date:	2017-08-16
Identifier:	7-({[3-(4-methylpyridin-3-yl)propyl]amino}methyl)quinolin-2-amine

9OS

9OS
Name:	7-({[3-(4-methoxypyridin-3-yl)propyl]amino}methyl)quinolin-2-amine
Formula:	C19 H22 N4 O
SMILES:	c13c(ccc(N)n1)ccc(CNCCCc2cnccc2OC)c3
InChi:	InChI=1S/C19H22N4O/c1-24-18-8-10-22-13-16(18)3-2-9-21-12-14-4-5-15-6-7-19(20)23-17(15)11-14/h4-8,10-11,13,21H,2-3,9,12H2,1H3,(H2,20,23)
Definition date:	2017-05-23
Last modified:	2017-08-11
Release date:	2017-08-16
Identifier:	7-({[3-(4-methoxypyridin-3-yl)propyl]amino}methyl)quinolin-2-amine

9P1

9P1
Name:	7-[({[4-(dimethylamino)phenyl]methyl}amino)methyl]quinolin-2-amine
Formula:	C19 H22 N4
SMILES:	c3(N)ccc2ccc(CNCc1ccc(cc1)N(C)C)cc2n3
InChi:	InChI=1S/C19H22N4/c1-23(2)17-8-4-14(5-9-17)12-21-13-15-3-6-16-7-10-19(20)22-18(16)11-15/h3-11,21H,12-13H2,1-2H3,(H2,20,22)
Definition date:	2017-05-24
Last modified:	2017-08-11
Release date:	2017-08-16
Identifier:	7-[({[4-(dimethylamino)phenyl]methyl}amino)methyl]quinolin-2-amine

9P4

9P4
Name:	7-({[3-(5-fluoropyridin-3-yl)propyl]amino}methyl)quinolin-2-amine
Formula:	C18 H19 F N4
SMILES:	Fc1cncc(c1)CCCNCc2cc3nc(ccc3cc2)N
InChi:	InChI=1S/C18H19FN4/c19-16-8-13(11-22-12-16)2-1-7-21-10-14-3-4-15-5-6-18(20)23-17(15)9-14/h3-6,8-9,11-12,21H,1-2,7,10H2,(H2,20,23)
Definition date:	2017-05-24
Last modified:	2017-08-11
Release date:	2017-08-16
Identifier:	7-({[3-(5-fluoropyridin-3-yl)propyl]amino}methyl)quinolin-2-amine

9P7

9P7
Name:	4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile
Formula:	C20 H20 N4
SMILES:	c31nc(ccc1ccc(CNCCc2cc(c(C#N)cc2)C)c3)N
InChi:	InChI=1S/C20H20N4/c1-14-10-15(2-5-18(14)12-21)8-9-23-13-16-3-4-17-6-7-20(22)24-19(17)11-16/h2-7,10-11,23H,8-9,13H2,1H3,(H2,22,24)
Definition date:	2017-05-24
Last modified:	2017-08-11
Release date:	2017-08-16
Identifier:	4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile

9PM

9PM
Name:	4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)-2-chlorobenzonitrile
Formula:	C19 H17 Cl N4
SMILES:	N#Cc1ccc(cc1Cl)CCNCc2cc3c(cc2)ccc(N)n3
InChi:	InChI=1S/C19H17ClN4/c20-17-9-13(1-4-16(17)11-21)7-8-23-12-14-2-3-15-5-6-19(22)24-18(15)10-14/h1-6,9-10,23H,7-8,12H2,(H2,22,24)
Definition date:	2017-05-24
Last modified:	2017-08-11
Release date:	2017-08-16
Identifier:	4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)-2-chlorobenzonitrile

9TT

9TT
Name:	1-methylindol-5-amine
Formula:	C9 H10 N2
SMILES:	Cn1ccc2cc(N)ccc12
InChi:	InChI=1S/C9H10N2/c1-11-5-4-7-6-8(10)2-3-9(7)11/h2-6H,10H2,1H3
Definition date:	2017-07-11
Last modified:	2017-08-11
Release date:	2017-08-16
Identifier:	1-methylindol-5-amine

9TW

9TW
Name:	3-chloranyl-4-fluoranyl-benzamide
Formula:	C7 H5 Cl F N O
SMILES:	NC(=O)c1ccc(F)c(Cl)c1
InChi:	InChI=1S/C7H5ClFNO/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H2,10,11)
Definition date:	2017-07-12
Last modified:	2017-08-11
Release date:	2017-08-16
Identifier:	3-chloranyl-4-fluoranyl-benzamide

9TZ

9TZ
Name:	5-fluoranyl-2-methyl-benzoic acid
Formula:	C8 H7 F O2
SMILES:	Cc1ccc(F)cc1C(O)=O
InChi:	InChI=1S/C8H7FO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H,10,11)
Definition date:	2017-07-12
Last modified:	2017-08-11
Release date:	2017-08-16
Identifier:	5-fluoranyl-2-methyl-benzoic acid

9VY

9VY
Name:	2-(4-fluorophenyl)-5-(11-fluoro-6H-pyrido[2',3':5,6][1,3]oxazino[3,4-a]indol-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
Formula:	C32 H24 F2 N4 O5 S
SMILES:	n4c2c(OCn3c1cccc(c1cc23)F)ccc4c7cc6c(C(NC)=O)c(c5ccc(cc5)F)oc6cc7N(C)S(C)(=O)=O
InChi:	InChI=1S/C32H24F2N4O5S/c1-35-32(39)29-21-13-20(25(37(2)44(3,40)41)15-28(21)43-31(29)17-7-9-18(33)10-8-17)23-11-12-27-30(36-23)26-14-19-22(34)5-4-6-24(19)38(26)16-42-27/h4-15H,16H2,1-3H3,(H,35,39)
Definition date:	2017-06-15
Last modified:	2017-08-11
Release date:	2017-08-16
Identifier:	2-(4-fluorophenyl)-5-(11-fluoro-6H-pyrido[2',3':5,6][1,3]oxazino[3,4-a]indol-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

6YB

6YB
Name:	(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-carbamimidamidoethyl)amino]-2-azanyl-butanoic acid
Formula:	C17 H28 N10 O5
SMILES:	N[CH](CCN(CCNC(N)=N)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O
InChi:	InChI=1S/C17H28N10O5/c18-8(16(30)31)1-3-26(4-2-22-17(20)21)5-9-11(28)12(29)15(32-9)27-7-25-10-13(19)23-6-24-14(10)27/h6-9,11-12,15,28-29H,1-5,18H2,(H,30,31)(H2,19,23,24)(H4,20,21,22)/t8-,9+,11+,12+,15+/m0/s1
Definition date:	2016-07-22
Last modified:	2017-08-11
Release date:	2017-08-16
Identifier:	(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-carbamimidamidoethyl)amino]-2-azanyl-butanoic acid

6YH

6YH
Name:	4-[2-(benzimidazol-1-yl)ethanoyl]benzenesulfonamide
Formula:	C15 H13 N3 O3 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)C(=O)Cn2cnc3ccccc23
InChi:	InChI=1S/C15H13N3O3S/c16-22(20,21)12-7-5-11(6-8-12)15(19)9-18-10-17-13-3-1-2-4-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
Definition date:	2016-07-26
Last modified:	2017-08-11
Release date:	2017-08-16
Identifier:	4-[2-(benzimidazol-1-yl)ethanoyl]benzenesulfonamide

6YP

6YP
Name:	4-butylbenzenesulfonamide
Formula:	C10 H15 N O2 S
SMILES:	CCCCc1ccc(cc1)[S](N)(=O)=O
InChi:	InChI=1S/C10H15NO2S/c1-2-3-4-9-5-7-10(8-6-9)14(11,12)13/h5-8H,2-4H2,1H3,(H2,11,12,13)
Definition date:	2016-07-27
Last modified:	2017-08-11
Release date:	2017-08-16
Identifier:	4-butylbenzenesulfonamide

6YQ

6YQ
Name:	4-[2-(benzimidazol-1-yl)ethanoyl]-2-chloranyl-benzenesulfonamide
Formula:	C15 H12 Cl N3 O3 S
SMILES:	N[S](=O)(=O)c1ccc(cc1Cl)C(=O)Cn2cnc3ccccc23
InChi:	InChI=1S/C15H12ClN3O3S/c16-11-7-10(5-6-15(11)23(17,21)22)14(20)8-19-9-18-12-3-1-2-4-13(12)19/h1-7,9H,8H2,(H2,17,21,22)
Definition date:	2016-07-27
Last modified:	2017-08-11
Release date:	2017-08-16
Identifier:	4-[2-(benzimidazol-1-yl)ethanoyl]-2-chloranyl-benzenesulfonamide

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