Peptide_ID	Peptide_Name	mw	mf	polararea	complexity	xlogp	heavycnt	hbonddonor	hbondacc	rotbonds	inchi	isosmiles	canonicalsmiles	inchikey	iupacname
PEP00001	pHLIP (AEQ)	4168.745	C193H288N44O57S	1600.45	4166.07107	-9.2209	295	54	53	134	"InChI=1S/C193H288N44O57S/c1-29-98(20)154(233-186(288)142-48-38-64-236(142)191(293)139(79-144(196)244)229-167(269)120(57-60-143(195)243)211-166(268)121(59-62-147(248)249)208-158(260)99(21)194)188(290)227-131(76-109-51-55-113(242)56-52-109)178(280)223-133(77-110-84-200-116-44-35-33-42-114(110)116)170(272)206-100(22)159(261)209-118(46-37-63-199-193(197)198)165(267)221-130(75-108-49-53-112(241)54-50-108)169(271)205-102(24)161(263)214-137(82-150(254)255)181(283)224-134(78-111-85-201-117-45-36-34-43-115(111)117)179(281)219-126(70-93(10)11)175(277)222-132(74-107-40-31-30-32-41-107)184(286)234-156(105(27)239)190(292)235-157(106(28)240)192(294)237-65-39-47-141(237)185(287)226-128(72-95(14)15)177(279)218-125(69-92(8)9)174(276)216-124(68-91(6)7)173(275)217-127(71-94(12)13)176(278)225-138(83-151(256)257)182(284)215-122(66-89(2)3)168(270)204-101(23)160(262)212-123(67-90(4)5)172(274)220-129(73-96(16)17)183(285)232-153(97(18)19)187(289)228-135(80-148(250)251)171(273)207-103(25)162(264)213-136(81-149(252)253)180(282)210-119(58-61-146(246)247)163(265)202-86-145(245)231-155(104(26)238)189(291)230-140(88-295)164(266)203-87-152(258)259/h30-36,40-45,49-56,84-85,89-106,118-142,153-157,200-201,238-242,295H,29,37-39,46-48,57-83,86-88,194H2,1-28H3,(H2,195,243)(H2,196,244)(H,202,265)(H,203,266)(H,204,270)(H,205,271)(H,206,272)(H,207,273)(H,208,260)(H,209,261)(H,210,282)(H,211,268)(H,212,262)(H,213,264)(H,214,263)(H,215,284)(H,216,276)(H,217,275)(H,218,279)(H,219,281)(H,220,274)(H,221,267)(H,222,277)(H,223,280)(H,224,283)(H,225,278)(H,226,287)(H,227,290)(H,228,289)(H,229,269)(H,230,291)(H,231,245)(H,232,285)(H,233,288)(H,234,286)(H,235,292)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H4,197,198,199)/t98-,99-,100-,101-,102-,103-,104+,105+,106+,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,153-,154-,155-,156-,157-/m0/s1"	[H]NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N[H])C(=O)N[C@@H](CC(=O)N[H])C(=O)N1CCC[C@H]1C(=O)N[C@]([H])(C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)N[C@@H](Cc1cn([H])c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cn([H])c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@]([H])(C(=O)N[C@]([H])(C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@]([H])(C(=O)N[C@@H](CS[H])C(=O)NCC(=O)O)[C@@H](C)O[H])C(C)C)[C@@H](C)O[H])[C@@H](C)O[H])[C@@H](C)CC	[H]NC(=O)CCC(NC(=O)C(CCC(=O)O)NC(=O)C(C)N[H])C(=O)NC(CC(=O)N[H])C(=O)N1CCCC1C(=O)NC([H])(C(=O)NC(Cc1ccc(O[H])cc1)C(=O)NC(Cc1cn([H])c2ccccc12)C(=O)NC(C)C(=O)NC(CCCN=C(N)N[H])C(=O)NC(Cc1ccc(O[H])cc1)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)NC(Cc1cn([H])c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC([H])(C(=O)NC([H])(C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC([H])(C(=O)NC(CS[H])C(=O)NCC(=O)O)C(C)O[H])C(C)C)C(C)O[H])C(C)O[H])C(C)CC	VADMUKINEZPHSY-FQYSWTFHSA-N	.
PEP00002	TP10	2182.774	C104H184N26O24	812.72	2181.397681	-2.8349	154	28	28	83	"InChI=1S/C104H184N26O24/c1-22-60(15)84(129-94(143)69(32-24-28-40-105)117-82(133)53-112-91(140)73(44-54(3)4)124-99(148)77(48-58(11)12)125-100(149)78(50-67-36-38-68(131)39-37-67)118-83(134)52-111-86(135)62(17)109)102(151)127-79(51-81(110)132)101(150)126-76(47-57(9)10)98(147)121-70(33-25-29-41-106)92(141)114-66(21)90(139)123-74(45-55(5)6)96(145)115-63(18)87(136)113-64(19)89(138)122-75(46-56(7)8)97(146)116-65(20)88(137)119-71(34-26-30-42-107)93(142)120-72(35-27-31-43-108)95(144)130-85(61(16)23-2)103(152)128-80(104(153)154)49-59(13)14/h36-39,54-66,69-80,84-85,131H,22-35,40-53,105-109H2,1-21H3,(H2,110,132)(H,111,135)(H,112,140)(H,113,136)(H,114,141)(H,115,145)(H,116,146)(H,117,133)(H,118,134)(H,119,137)(H,120,142)(H,121,147)(H,122,138)(H,123,139)(H,124,148)(H,125,149)(H,126,150)(H,127,151)(H,128,152)(H,129,143)(H,130,144)(H,153,154)/t60-,61-,62-,63-,64-,65-,66-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,84-,85-/m0/s1"	[H]NCCCC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)CNC(=O)[C@H](C)N[H])C(=O)N[C@]([H])(C(=O)N[C@@H](CC(=O)N[H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](CCCCN[H])C(=O)N[C@]([H])(C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC)[C@@H](C)CC	[H]NCCCCC(NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)CNC(=O)C(C)N[H])C(=O)NC([H])(C(=O)NC(CC(=O)N[H])C(=O)NC(CC(C)C)C(=O)NC(CCCCN[H])C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCCCN[H])C(=O)NC(CCCCN[H])C(=O)NC([H])(C(=O)NC(CC(C)C)C(=O)O)C(C)CC)C(C)CC	OUDGQPMZLUVPDJ-FGWYKXIFSA-N	.
PEP00003	M	2861.526	C132H230N38O32	1151.55	2859.753837	-8.5152	202	39	37	104	"InChI=1S/C132H230N38O32/c1-24-71(16)102(165-107(178)74(19)136)122(193)146-62-98(176)148-75(20)109(180)163-100(69(12)13)124(195)160-89(56-65(4)5)116(187)154-84(42-31-34-52-135)115(186)164-101(70(14)15)125(196)161-91(58-67(8)9)118(189)168-106(78(23)173)128(199)169-105(77(22)172)123(194)147-63-99(177)150-93(59-68(10)11)129(200)170-55-37-45-95(170)121(192)149-76(21)108(179)158-90(57-66(6)7)117(188)166-104(73(18)26-3)127(198)162-94(64-171)120(191)159-92(60-79-61-145-81-39-28-27-38-80(79)81)119(190)167-103(72(17)25-2)126(197)156-83(41-30-33-51-134)111(182)153-85(43-35-53-143-131(139)140)112(183)151-82(40-29-32-50-133)110(181)152-86(44-36-54-144-132(141)142)113(184)155-87(46-48-96(137)174)114(185)157-88(130(201)202)47-49-97(138)175/h27-28,38-39,61,65-78,82-95,100-106,145,171-173H,24-26,29-37,40-60,62-64,133-136H2,1-23H3,(H2,137,174)(H2,138,175)(H,146,193)(H,147,194)(H,148,176)(H,149,192)(H,150,177)(H,151,183)(H,152,181)(H,153,182)(H,154,187)(H,155,184)(H,156,197)(H,157,185)(H,158,179)(H,159,191)(H,160,195)(H,161,196)(H,162,198)(H,163,180)(H,164,186)(H,165,178)(H,166,188)(H,167,190)(H,168,189)(H,169,199)(H,201,202)(H4,139,140,143)(H4,141,142,144)/t71-,72-,73-,74-,75-,76-,77+,78+,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,100-,101-,102-,103-,104-,105-,106-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CCCCN[H])NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](CO[H])NC(=O)[C@@]([H])(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@H](C)N[H])[C@@H](C)CC)C(C)C)C(C)C)[C@@H](C)O[H])[C@@H](C)O[H])[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](CCC(=O)N[H])C(=O)N[C@@H](CCC(=O)N[H])C(=O)O	[H]NCCCCC(NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCCN[H])NC(=O)C([H])(NC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(CO[H])NC(=O)C([H])(NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)CNC(=O)C([H])(NC(=O)C([H])(NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CCCCN[H])NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(C)NC(=O)CNC(=O)C([H])(NC(=O)C(C)N[H])C(C)CC)C(C)C)C(C)C)C(C)O[H])C(C)O[H])C(C)CC)C(C)CC)C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCC(=O)N[H])C(=O)NC(CCC(=O)N[H])C(=O)O	JGXKEEQVWCICDZ-VQGMJTDQSA-N	.
PEP00004	[GG]PDIP	4058.884	C182H306N50O50S2	1601.28	4056.238033	-12.0138	284	53	58	93	"InChI=1S/C182H306N50O50S2/c1-21-102(15)148-176(275)214-116(47-29-37-71-187)157(256)205-114(45-27-35-69-185)159(258)216-124(78-98(7)8)166(265)218-123(77-97(5)6)165(264)211-121(62-65-146(247)248)161(260)223-131(93-234)153(252)199-87-141(242)197-89-144(245)203-130(92-233)152(251)198-86-140(241)195-88-143(244)201-106(19)180(279)231-75-41-51-135(231)174(273)221-126(80-100(11)12)167(266)219-128(82-108-53-57-110(236)58-54-108)170(269)209-112(43-25-33-67-183)155(254)207-118(49-31-39-73-189)163(262)227-151(105(18)24-4)179(278)229-149(103(16)22-2)177(276)215-117(48-30-38-72-188)158(257)206-115(46-28-36-70-186)160(259)217-125(79-99(9)10)169(268)225-134(173(272)213-122(63-66-147(249)250)162(261)224-132(94-235)182(281)282)96-284-283-95-133(204-145(246)90-196-139(240)84-193-138(239)85-194-142(243)91-200-230-192)172(271)212-120(61-64-137(191)238)154(253)202-107(20)181(280)232-76-42-52-136(232)175(274)222-127(81-101(13)14)168(267)220-129(83-109-55-59-111(237)60-56-109)171(270)210-113(44-26-34-68-184)156(255)208-119(50-32-40-74-190)164(263)226-150(104(17)23-3)178(277)228-148/h53-60,97-107,112-136,148-151,233-237H,21-52,61-96,183-190H2,1-20H3,(H2,191,238)(H,193,239)(H,194,243)(H,195,241)(H,196,240)(H,197,242)(H,198,251)(H,199,252)(H,201,244)(H,202,253)(H,203,245)(H,204,246)(H,205,256)(H,206,257)(H,207,254)(H,208,255)(H,209,269)(H,210,270)(H,211,264)(H,212,271)(H,213,272)(H,214,275)(H,215,276)(H,216,258)(H,217,259)(H,218,265)(H,219,266)(H,220,267)(H,221,273)(H,222,274)(H,223,260)(H,224,261)(H,225,268)(H,226,263)(H,227,262)(H,228,277)(H,229,278)(H,247,248)(H,249,250)(H,281,282)/t102-,103-,104-,105-,106-,107-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,148-,149-,150-,151-/m0/s1"	[H]NCCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O[H])cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)CNC(=O)CNC(=O)[C@H](CO[H])NC(=O)CNC(=O)CNC(=O)[C@H](CO[H])NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CCCCN[H])NC(=O)[C@]([H])([C@@H](C)CC)NC(=O)[C@]([H])([C@@H](C)CC)NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](Cc2ccc(O[H])cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N[H])NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)CN=[N+]=[N-])CSSC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO[H])C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CCCCN[H])NC(=O)[C@]([H])([C@@H](C)CC)NC(=O)[C@]([H])([C@@H](C)CC)NC(=O)[C@H](CCCCN[H])NC1=O	[H]NCCCCC1NC(=O)C(Cc2ccc(O[H])cc2)NC(=O)C(CC(C)C)NC(=O)C2CCCN2C(=O)C(C)NC(=O)CNC(=O)CNC(=O)C(CO[H])NC(=O)CNC(=O)CNC(=O)C(CO[H])NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCCCN[H])NC(=O)C(CCCCN[H])NC(=O)C([H])(C(C)CC)NC(=O)C([H])(C(C)CC)NC(=O)C(CCCCN[H])NC(=O)C(CCCCN[H])NC(=O)C(Cc2ccc(O[H])cc2)NC(=O)C(CC(C)C)NC(=O)C2CCCN2C(=O)C(C)NC(=O)C(CCC(=O)N[H])NC(=O)C(NC(=O)CNC(=O)CNC(=O)CNC(=O)CN=[N+]=[N-])CSSCC(C(=O)NC(CCC(=O)O)C(=O)NC(CO[H])C(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CCCCN[H])NC(=O)C(CCCCN[H])NC(=O)C([H])(C(C)CC)NC(=O)C([H])(C(C)CC)NC(=O)C(CCCCN[H])NC1=O	OXOWCHNUFDHWOL-JONAYHSYSA-N	.
PEP00005	C(StBu)GASGGKK	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00006	CAAN-PTP-7	1780.215	C84H138N20O20S	644.28	1779.011698	-3.3625	125	23	23	64	"InChI=1S/C84H138N20O20S/c1-44(2)33-58(99-81(120)63(39-54-27-19-16-20-28-54)102-82(121)64(40-67(88)106)98-71(110)51(13)91-69(108)50(12)92-73(112)55(87)43-125)74(113)89-41-68(107)90-49(11)70(109)96-59(34-45(3)4)77(116)101-62(38-53-25-17-15-18-26-53)80(119)94-56(29-21-23-31-85)75(114)93-52(14)72(111)97-60(35-46(5)6)79(118)104-66(42-105)83(122)95-57(30-22-24-32-86)76(115)100-61(36-47(7)8)78(117)103-65(84(123)124)37-48(9)10/h15-20,25-28,44-52,55-66,105,125H,21-24,29-43,85-87H2,1-14H3,(H2,88,106)(H,89,113)(H,90,107)(H,91,108)(H,92,112)(H,93,114)(H,94,119)(H,95,122)(H,96,109)(H,97,111)(H,98,110)(H,99,120)(H,100,115)(H,101,116)(H,102,121)(H,103,117)(H,104,118)(H,123,124)/t49-,50-,51-,52-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)N[H])NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CS[H])N[H])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO[H])C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O	[H]NCCCCC(NC(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)N[H])NC(=O)C(C)NC(=O)C(C)NC(=O)C(CS[H])N[H])C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CO[H])C(=O)NC(CCCCN[H])C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)O	IVZUILVPNIQSLS-FSXMPQNESA-N	.
PEP00007	BP9a	937.055	C37H60N16O11S	452.1	936.4348177	-6.3594	65	16	15	32	"InChI=1S/C37H60N16O11S/c1-17(2)7-23(50-33(60)24(8-19-11-42-15-45-19)49-29(56)18(3)47-30(57)21(38)14-65)32(59)51-25(9-20-12-43-16-46-20)34(61)52-26(10-28(39)55)35(62)48-22(5-4-6-44-37(40)41)31(58)53-27(13-54)36(63)64/h11-12,15-18,21-27,54,65H,4-10,13-14,38H2,1-3H3,(H2,39,55)(H,42,45)(H,43,46)(H,47,57)(H,48,62)(H,49,56)(H,50,60)(H,51,59)(H,52,61)(H,53,58)(H,63,64)(H4,40,41,44)/t18-,21-,22-,23-,24-,25-,26-,27-/m0/s1"	[H]NC(=O)C[C@H](NC(=O)[C@H](Cc1cn([H])cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cn([H])cn1)NC(=O)[C@H](C)NC(=O)[C@H](CS[H])N[H])C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](CO[H])C(=O)O	[H]NC(=O)CC(NC(=O)C(Cc1cn([H])cn1)NC(=O)C(CC(C)C)NC(=O)C(Cc1cn([H])cn1)NC(=O)C(C)NC(=O)C(CS[H])N[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CO[H])C(=O)O	HGMLHCGTVWNMRN-CGGNIPPMSA-N	.
PEP00008	CCKIGLFRWR	1281.623	C58H92N18O11S2	495.83	1280.663438	-2.4524	89	19	16	45	"InChI=1S/C58H92N18O11S2/c1-5-33(4)47(76-50(80)39(19-11-12-22-59)71-54(84)45(31-89)75-48(78)37(60)30-88)55(85)68-29-46(77)69-42(25-32(2)3)51(81)73-43(26-34-15-7-6-8-16-34)52(82)70-40(20-13-23-65-57(61)62)49(79)74-44(27-35-28-67-38-18-10-9-17-36(35)38)53(83)72-41(56(86)87)21-14-24-66-58(63)64/h6-10,15-18,28,32-33,37,39-45,47,67,88-89H,5,11-14,19-27,29-31,59-60H2,1-4H3,(H,68,85)(H,69,77)(H,70,82)(H,71,84)(H,72,83)(H,73,81)(H,74,79)(H,75,78)(H,76,80)(H,86,87)(H4,61,62,65)(H4,63,64,66)/t33-,37-,39-,40-,41-,42-,43-,44-,45-,47-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CS[H])NC(=O)[C@H](CS[H])N[H])C(=O)N[C@]([H])(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](Cc1cn([H])c2ccccc12)C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)O)[C@@H](C)CC	[H]NCCCCC(NC(=O)C(CS[H])NC(=O)C(CS[H])N[H])C(=O)NC([H])(C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCN=C(N)N[H])C(=O)NC(Cc1cn([H])c2ccccc12)C(=O)NC(CCCN=C(N)N[H])C(=O)O)C(C)CC	NROWGGRYSVMFCR-NPOACUGXSA-N	.
PEP00009	ApoA-1 mimic peptide	2429.787	C117H161N25O30S	905.52	2428.15619	-3.2755	173	32	31	86	"InChI=1S/C117H161N25O30S/c1-65(2)98(142-101(155)68(5)125-103(157)83(46-48-94(145)146)133-104(158)80(39-21-25-51-119)132-111(165)87(56-71-32-14-8-15-33-71)135-106(160)81(40-22-26-52-120)131-108(162)84(47-49-95(147)148)130-100(154)67(4)126-109(163)85(54-69-28-10-6-11-29-69)128-93(144)63-124-102(156)77(122)64-173)116(170)134-82(41-23-27-53-121)107(161)140-91(60-96(149)150)115(169)138-89(58-73-42-44-75(143)45-43-73)112(166)137-86(55-70-30-12-7-13-31-70)110(164)127-66(3)99(153)129-79(38-20-24-50-118)105(159)136-88(57-72-34-16-9-17-35-72)113(167)139-90(114(168)141-92(117(171)172)61-97(151)152)59-74-62-123-78-37-19-18-36-76(74)78/h6-19,28-37,42-45,62,65-68,77,79-92,98,123,143,173H,20-27,38-41,46-61,63-64,118-122H2,1-5H3,(H,124,156)(H,125,157)(H,126,163)(H,127,164)(H,128,144)(H,129,153)(H,130,154)(H,131,162)(H,132,165)(H,133,158)(H,134,170)(H,135,160)(H,136,159)(H,137,166)(H,138,169)(H,139,167)(H,140,161)(H,141,168)(H,142,155)(H,145,146)(H,147,148)(H,149,150)(H,151,152)(H,171,172)/t66-,67-,68-,77-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,98-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN[H])NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CS[H])N[H])C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cn([H])c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)O	[H]NCCCCC(NC(=O)C(C)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(CC(=O)O)NC(=O)C(CCCCN[H])NC(=O)C(NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(CCCCN[H])NC(=O)C(Cc1ccccc1)NC(=O)C(CCCCN[H])NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(CS[H])N[H])C(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1cn([H])c2ccccc12)C(=O)NC(CC(=O)O)C(=O)O	ATAWKVGEOOCSFU-JMZLZLHBSA-N	.
PEP00010	Kb-C04	2264.95	C104H194N30O23S	879.42	2263.465383	-5.7544	158	31	31	92	"InChI=1S/C104H194N30O23S/c1-20-62(14)84(102(156)126-73(85(113)139)45-56(2)3)133-94(148)71(37-25-31-43-109)123-91(145)68(34-22-28-40-106)121-87(141)65(17)119-95(149)74(46-57(4)5)127-88(142)64(16)117-86(140)63(15)118-96(150)78(50-61(12)13)132-103(157)104(18,19)134-101(155)72(38-26-32-44-110)125-98(152)76(48-59(8)9)130-100(154)79(51-80(112)135)131-93(147)70(36-24-30-42-108)122-92(146)69(35-23-29-41-107)124-97(151)75(47-58(6)7)129-99(153)77(49-60(10)11)128-90(144)67(33-21-27-39-105)120-83(138)54-115-81(136)52-114-82(137)53-116-89(143)66(111)55-158/h56-79,84,158H,20-55,105-111H2,1-19H3,(H2,112,135)(H2,113,139)(H,114,137)(H,115,136)(H,116,143)(H,117,140)(H,118,150)(H,119,149)(H,120,138)(H,121,141)(H,122,146)(H,123,145)(H,124,151)(H,125,152)(H,126,156)(H,127,142)(H,128,144)(H,129,153)(H,130,154)(H,131,147)(H,132,157)(H,133,148)(H,134,155)/t62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,84-/m0/s1"	[H]NCCCC[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CS[H])N[H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](CC(=O)N[H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN[H])C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](CCCCN[H])C(=O)N[C@]([H])(C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC	[H]NCCCCC(NC(=O)CNC(=O)CNC(=O)CNC(=O)C(CS[H])N[H])C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCCN[H])C(=O)NC(CCCCN[H])C(=O)NC(CC(=O)N[H])C(=O)NC(CC(C)C)C(=O)NC(CCCCN[H])C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCCCN[H])C(=O)NC(CCCCN[H])C(=O)NC([H])(C(=O)NC(CC(C)C)C(N)=O)C(C)CC	VOSXVFJGUSISRV-JUZUOIPZSA-N	.
PEP00011	Kb-C03	2207.898	C102H191N29O22S	850.32	2206.44392	-4.8706	154	30	30	90	"InChI=1S/C102H191N29O22S/c1-20-61(14)82(100(152)123-72(83(111)135)45-55(2)3)130-92(144)70(37-25-31-43-107)120-89(141)67(34-22-28-40-104)118-85(137)64(17)116-93(145)73(46-56(4)5)124-86(138)63(16)114-84(136)62(15)115-94(146)77(50-60(12)13)129-101(153)102(18,19)131-99(151)71(38-26-32-44-108)122-96(148)75(48-58(8)9)127-98(150)78(51-79(110)132)128-91(143)69(36-24-30-42-106)119-90(142)68(35-23-29-41-105)121-95(147)74(47-57(6)7)126-97(149)76(49-59(10)11)125-88(140)66(33-21-27-39-103)117-81(134)53-112-80(133)52-113-87(139)65(109)54-154/h55-78,82,154H,20-54,103-109H2,1-19H3,(H2,110,132)(H2,111,135)(H,112,133)(H,113,139)(H,114,136)(H,115,146)(H,116,145)(H,117,134)(H,118,137)(H,119,142)(H,120,141)(H,121,147)(H,122,148)(H,123,152)(H,124,138)(H,125,140)(H,126,149)(H,127,150)(H,128,143)(H,129,153)(H,130,144)(H,131,151)/t61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,82-/m0/s1"	[H]NCCCC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CS[H])N[H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](CC(=O)N[H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN[H])C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](CCCCN[H])C(=O)N[C@]([H])(C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC	[H]NCCCCC(NC(=O)CNC(=O)CNC(=O)C(CS[H])N[H])C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCCN[H])C(=O)NC(CCCCN[H])C(=O)NC(CC(=O)N[H])C(=O)NC(CC(C)C)C(=O)NC(CCCCN[H])C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCCCN[H])C(=O)NC(CCCCN[H])C(=O)NC([H])(C(=O)NC(CC(C)C)C(N)=O)C(C)CC	WTCGDOBHGUGIIN-HNJPZGQESA-N	.
PEP00012	oxmCPPamph	2319.756	C111H167N23O29S	723	2318.202077	-1.2478	164	19	27	57	"InChI=1S/C111H167N23O29S/c1-58(2)50-72(120-93(144)68(35-38-86(137)138)117-99(150)89(61(7)8)123-96(147)71(53-64-54-113-67-25-14-13-24-65(64)67)116-85(136)56-114-84(135)55-115-92(143)66(112)57-164)102(153)128-43-17-28-77(128)107(158)131-46-20-31-80(131)105(156)126-41-15-26-75(126)97(148)124-90(62(9)10)100(151)118-69(36-39-87(139)140)94(145)121-73(51-59(3)4)103(154)129-44-18-29-78(129)108(159)132-47-21-32-81(132)106(157)127-42-16-27-76(127)98(149)125-91(63(11)12)101(152)119-70(37-40-88(141)142)95(146)122-74(52-60(5)6)104(155)130-45-19-30-79(130)109(160)133-48-22-33-82(133)110(161)134-49-23-34-83(134)111(162)163/h13-14,24-25,54,58-63,66,68-83,89-91,113,164H,15-23,26-53,55-57,112H2,1-12H3,(H,114,135)(H,115,143)(H,116,136)(H,117,150)(H,118,151)(H,119,152)(H,120,144)(H,121,145)(H,122,146)(H,123,147)(H,124,148)(H,125,149)(H,137,138)(H,139,140)(H,141,142)(H,162,163)/t66-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,89-,90-,91-/m0/s1"	[H]N[C@@H](CS[H])C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1cn([H])c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O)C(C)C)C(C)C)C(C)C	[H]NC(CS[H])C(=O)NCC(=O)NCC(=O)NC(Cc1cn([H])c2ccccc12)C(=O)NC(C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)O)C(C)C)C(C)C)C(C)C	XJVVDKKMICMFLT-HXPPUVHPSA-N	.
PEP00013	Kb-C02	2150.846	C100H188N28O21S	821.22	2149.422456	-3.9868	150	29	29	88	"InChI=1S/C100H188N28O21S/c1-20-60(14)80(98(148)120-71(81(109)131)45-54(2)3)127-90(140)69(37-25-31-43-105)117-87(137)66(34-22-28-40-102)115-83(133)63(17)113-91(141)72(46-55(4)5)121-84(134)62(16)111-82(132)61(15)112-92(142)76(50-59(12)13)126-99(149)100(18,19)128-97(147)70(38-26-32-44-106)119-94(144)74(48-57(8)9)124-96(146)77(51-78(108)129)125-89(139)68(36-24-30-42-104)116-88(138)67(35-23-29-41-103)118-93(143)73(47-56(6)7)123-95(145)75(49-58(10)11)122-86(136)65(33-21-27-39-101)114-79(130)52-110-85(135)64(107)53-150/h54-77,80,150H,20-53,101-107H2,1-19H3,(H2,108,129)(H2,109,131)(H,110,135)(H,111,132)(H,112,142)(H,113,141)(H,114,130)(H,115,133)(H,116,138)(H,117,137)(H,118,143)(H,119,144)(H,120,148)(H,121,134)(H,122,136)(H,123,145)(H,124,146)(H,125,139)(H,126,149)(H,127,140)(H,128,147)/t60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,80-/m0/s1"	[H]NCCCC[C@H](NC(=O)CNC(=O)[C@H](CS[H])N[H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](CC(=O)N[H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN[H])C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](CCCCN[H])C(=O)N[C@]([H])(C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC	[H]NCCCCC(NC(=O)CNC(=O)C(CS[H])N[H])C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCCN[H])C(=O)NC(CCCCN[H])C(=O)NC(CC(=O)N[H])C(=O)NC(CC(C)C)C(=O)NC(CCCCN[H])C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCCCN[H])C(=O)NC(CCCCN[H])C(=O)NC([H])(C(=O)NC(CC(C)C)C(N)=O)C(C)CC	QOJSNYFIDYTTHU-FVQAYIOVSA-N	.
PEP00014	CGVVQQ	632.741	C25H44N8O9S	295	632.295196	-3.7735	43	10	10	22	"InChI=1S/C25H44N8O9S/c1-11(2)19(32-18(36)9-29-21(37)13(26)10-43)24(40)33-20(12(3)4)23(39)30-14(5-7-16(27)34)22(38)31-15(25(41)42)6-8-17(28)35/h11-15,19-20,43H,5-10,26H2,1-4H3,(H2,27,34)(H2,28,35)(H,29,37)(H,30,39)(H,31,38)(H,32,36)(H,33,40)(H,41,42)/t13-,14-,15-,19-,20-/m0/s1"	[H]NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)N[H])NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CS[H])N[H])C(C)C)C(C)C)C(=O)O	[H]NC(=O)CCC(NC(=O)C(CCC(=O)N[H])NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(CS[H])N[H])C(C)C)C(C)C)C(=O)O	OPSDYZLPBCNMJG-QEFISFJRSA-N	.
PEP00015	AAM-2	2881.416	C132H206N40O31S	1093.88	2879.549341	-7.8698	204	38	38	93	"InChI=1S/C132H206N40O31S/c1-23-68(16)104(167-112(183)82(133)56-204)125(196)143-53-100(178)150-71(19)111(182)165-102(66(12)13)127(198)161-86(37-62(4)5)114(185)160-94(46-80-52-141-61-149-80)122(193)166-103(67(14)15)128(199)162-88(39-64(8)9)120(191)170-108(74(22)175)131(202)171-107(73(21)174)126(197)144-54-101(179)152-95(40-65(10)11)132(203)172-36-28-31-97(172)124(195)151-72(20)110(181)155-87(38-63(6)7)119(190)168-106(70(18)25-3)130(201)164-96(55-173)123(194)156-89(41-75-47-142-83-30-27-26-29-81(75)83)121(192)169-105(69(17)24-2)129(200)163-93(45-79-51-140-60-148-79)118(189)159-92(44-78-50-139-59-147-78)117(188)158-91(43-77-49-138-58-146-77)116(187)157-90(42-76-48-137-57-145-76)115(186)154-85(33-35-99(135)177)113(184)153-84(109(136)180)32-34-98(134)176/h26-27,29-30,47-52,57-74,82,84-97,102-108,142,173-175,204H,23-25,28,31-46,53-56,133H2,1-22H3,(H2,134,176)(H2,135,177)(H2,136,180)(H,137,145)(H,138,146)(H,139,147)(H,140,148)(H,141,149)(H,143,196)(H,144,197)(H,150,178)(H,151,195)(H,152,179)(H,153,184)(H,154,186)(H,155,181)(H,156,194)(H,157,187)(H,158,188)(H,159,189)(H,160,185)(H,161,198)(H,162,199)(H,163,200)(H,164,201)(H,165,182)(H,166,193)(H,167,183)(H,168,190)(H,169,192)(H,170,191)(H,171,202)/t68-,69-,70-,71-,72-,73+,74+,82-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,102-,103-,104-,105-,106-,107-,108-/m0/s1"	[H]NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)N[H])NC(=O)[C@H](Cc1cn([H])cn1)NC(=O)[C@H](Cc1cn([H])cn1)NC(=O)[C@H](Cc1cn([H])cn1)NC(=O)[C@H](Cc1cn([H])cn1)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](CO[H])NC(=O)[C@@]([H])(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1cn([H])cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@H](CS[H])N[H])[C@@H](C)CC)C(C)C)C(C)C)[C@@H](C)O[H])[C@@H](C)O[H])[C@@H](C)CC)[C@@H](C)CC)C(N)=O	[H]NC(=O)CCC(NC(=O)C(CCC(=O)N[H])NC(=O)C(Cc1cn([H])cn1)NC(=O)C(Cc1cn([H])cn1)NC(=O)C(Cc1cn([H])cn1)NC(=O)C(Cc1cn([H])cn1)NC(=O)C([H])(NC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(CO[H])NC(=O)C([H])(NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)CNC(=O)C([H])(NC(=O)C([H])(NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(Cc1cn([H])cn1)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(C)NC(=O)CNC(=O)C([H])(NC(=O)C(CS[H])N[H])C(C)CC)C(C)C)C(C)C)C(C)O[H])C(C)O[H])C(C)CC)C(C)CC)C(N)=O	NROZBPIZWZOPIJ-LOXLAICCSA-N	.
PEP00016	Kb-C01	2093.794	C98H185N27O20S	792.12	2092.400992	-3.103	146	28	28	86	"InChI=1S/C98H185N27O20S/c1-20-59(14)78(96(144)117-70(79(107)127)45-53(2)3)124-88(136)68(37-25-31-43-103)114-84(132)64(33-21-27-39-99)111-81(129)62(17)110-89(137)71(46-54(4)5)118-82(130)61(16)108-80(128)60(15)109-90(138)75(50-58(12)13)123-97(145)98(18,19)125-95(143)69(38-26-32-44-104)116-92(140)73(48-56(8)9)121-94(142)76(51-77(106)126)122-87(135)67(36-24-30-42-102)113-85(133)66(35-23-29-41-101)115-91(139)72(47-55(6)7)120-93(141)74(49-57(10)11)119-86(134)65(34-22-28-40-100)112-83(131)63(105)52-146/h53-76,78,146H,20-52,99-105H2,1-19H3,(H2,106,126)(H2,107,127)(H,108,128)(H,109,138)(H,110,137)(H,111,129)(H,112,131)(H,113,133)(H,114,132)(H,115,139)(H,116,140)(H,117,144)(H,118,130)(H,119,134)(H,120,141)(H,121,142)(H,122,135)(H,123,145)(H,124,136)(H,125,143)/t59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,78-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N[H])NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CS[H])N[H])C(=O)N[C@@H](CCCCN[H])C(=O)N[C@]([H])(C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC	[H]NCCCCC(NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(C)(C)NC(=O)C(CCCCN[H])NC(=O)C(CC(C)C)NC(=O)C(CC(=O)N[H])NC(=O)C(CCCCN[H])NC(=O)C(CCCCN[H])NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCCCN[H])NC(=O)C(CS[H])N[H])C(=O)NC(CCCCN[H])C(=O)NC([H])(C(=O)NC(CC(C)C)C(N)=O)C(C)CC	ZOEUJEQSJPVBQP-XKUBKBQJSA-N	.
PEP00017	Peptide 1131	1055.27	C40H70N12O15S3	455.02	1054.424573	-6.7009	70	17	19	16	"InChI=1S/C40H70N12O15S3/c1-16(2)11-23-34(60)51-30(20(6)55)39(65)52-29(19(5)54)38(64)49-26(40(66)67)15-70-69-14-25(48-32(58)21(42)13-68)36(62)45-22(9-7-8-10-41)33(59)47-24(12-27(43)56)35(61)50-28(18(4)53)37(63)44-17(3)31(57)46-23/h16-26,28-30,53-55,68H,7-15,41-42H2,1-6H3,(H2,43,56)(H,44,63)(H,45,62)(H,46,57)(H,47,59)(H,48,58)(H,49,64)(H,50,61)(H,51,60)(H,52,65)(H,66,67)/t17-,18+,19+,20+,21+,22-,23-,24+,25-,26-,28-,29-,30+/m0/s1"	[H]N[C@H](CS)C(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@]([H])([C@@H](C)O)NC(=O)[C@@]([H])([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@]([H])([C@@H](C)O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O	[H]NC(CS)C(=O)NC1CSSCC(C(=O)O)NC(=O)C([H])(C(C)O)NC(=O)C([H])(C(C)O)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C([H])(C(C)O)NC(=O)C(CC(N)=O)NC(=O)C(CCCCN)NC1=O	FFRNBDGZFKDTON-OKBHEYPESA-N	.
PEP00018	Cyclic NGR	548.652	C18H32N10O6S2	290.5	548.1947707	-5.09673	36	10	10	7	"InChI=1S/C18H32N10O6S2/c19-8-6-35-36-7-11(14(21)31)28-17(34)9(2-1-3-24-18(22)23)26-13(30)5-25-16(33)10(4-12(20)29)27-15(8)32/h8-11H,1-7,19H2,(H2,20,29)(H2,21,31)(H,25,33)(H,26,30)(H,27,32)(H,28,34)(H4,22,23,24)/t8-,9+,10?,11?/m0/s1"	N=C(N)NCCC[C@H]1NC(=O)CNC(=O)C(CC(N)=O)NC(=O)[C@@H](N)CSSCC(C(N)=O)NC1=O	N=C(N)NCCCC1NC(=O)CNC(=O)C(CC(N)=O)NC(=O)C(N)CSSCC(C(N)=O)NC1=O	RXXAGHQGWLSZKY-IZUQBHJASA-N	.
PEP00019	Cyclic NGR 2	663.74	C22H37N11O9S2	345.41	663.2217138	-6.4747	44	11	12	11	"InChI=1S/C22H37N11O9S2/c23-10-8-43-44-9-13(20(41)29-5-15(35)28-7-17(37)38)33-21(42)11(2-1-3-27-22(25)26)31-16(36)6-30-19(40)12(4-14(24)34)32-18(10)39/h10-13H,1-9,23H2,(H2,24,34)(H,28,35)(H,29,41)(H,30,40)(H,31,36)(H,32,39)(H,33,42)(H,37,38)(H4,25,26,27)/t10-,11-,12-,13-/m0/s1"	[H]NC(=O)C[C@@H]1NC(=O)[C@@H](N)CSSC[C@@H](C(=O)NCC(=O)NCC(=O)O)NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)CNC1=O	[H]NC(=O)CC1NC(=O)C(N)CSSCC(C(=O)NCC(=O)NCC(=O)O)NC(=O)C(CCCN=C(N)N[H])NC(=O)CNC1=O	KNYSVOJCCYZLQP-CYDGBPFRSA-N	.
PEP00020	TAR	2264.757	C96H170N42O20S	1093.29	2263.329727	-12.8332	159	36	30	81	"InChI=1S/C96H170N42O20S/c1-50(2)46-68(87(155)138-45-19-32-70(138)88(156)137-44-18-31-69(137)85(153)133-66(89(157)158)30-17-43-121-96(113)114)135-84(152)67(47-53-48-122-56-21-6-5-20-54(53)56)134-86(154)72(52(4)139)136-73(141)51(3)123-75(143)59(24-11-37-115-90(101)102)127-79(147)61(26-13-39-117-92(105)106)129-81(149)63(28-15-41-119-94(109)110)131-83(151)65(33-34-71(100)140)132-82(150)64(29-16-42-120-95(111)112)130-80(148)62(27-14-40-118-93(107)108)128-77(145)58(23-8-10-36-98)125-76(144)57(22-7-9-35-97)126-78(146)60(25-12-38-116-91(103)104)124-74(142)55(99)49-159/h5-6,20-21,48,50-52,55,57-70,72,122,139,159H,7-19,22-47,49,97-99H2,1-4H3,(H2,100,140)(H,123,143)(H,124,142)(H,125,144)(H,126,146)(H,127,147)(H,128,145)(H,129,149)(H,130,148)(H,131,151)(H,132,150)(H,133,153)(H,134,154)(H,135,152)(H,136,141)(H,157,158)(H4,101,102,115)(H4,103,104,116)(H4,105,106,117)(H4,107,108,118)(H4,109,110,119)(H4,111,112,120)(H4,113,114,121)/t51-,52+,55-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,72-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CS[H])N[H])C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](CCC(=O)N[H])C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](C)C(=O)N[C@]([H])(C(=O)N[C@@H](Cc1cn([H])c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)O)[C@@H](C)O[H]	[H]NCCCCC(NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CS[H])N[H])C(=O)NC(CCCCN[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCC(=O)N[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(C)C(=O)NC([H])(C(=O)NC(Cc1cn([H])c2ccccc12)C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N[H])C(=O)O)C(C)O[H]	XRFBZVCOCGNFBE-YERCEDMDSA-N	.
PEP00021	oxmCPP	1370.673	C51H103N33O10S	811.32	1369.828637	-12.3647	95	27	19	51	"InChI=1S/C51H103N33O10S/c52-26(25-95)35(85)77-27(9-1-17-69-44(53)54)36(86)78-28(10-2-18-70-45(55)56)37(87)79-29(11-3-19-71-46(57)58)38(88)80-30(12-4-20-72-47(59)60)39(89)81-31(13-5-21-73-48(61)62)40(90)82-32(14-6-22-74-49(63)64)41(91)83-33(15-7-23-75-50(65)66)42(92)84-34(43(93)94)16-8-24-76-51(67)68/h26-34,95H,1-25,52H2,(H,77,85)(H,78,86)(H,79,87)(H,80,88)(H,81,89)(H,82,90)(H,83,91)(H,84,92)(H,93,94)(H4,53,54,69)(H4,55,56,70)(H4,57,58,71)(H4,59,60,72)(H4,61,62,73)(H4,63,64,74)(H4,65,66,75)(H4,67,68,76)/t26-,27-,28-,29-,30-,31-,32-,33-,34-/m0/s1"	[H]N/C(N)=N/CCC[C@H](NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@@H](N)CS[H])C(=O)O	[H]NC(N)=NCCCC(NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C(N)CS[H])C(=O)O	AQPPDBZOMKUMIM-WJKAUMHWSA-N	.
PEP00022	TAT (trans-activator of transcription) 	1663.004	C67H123N33O15S	885.18	1661.959711	-11.9143	116	30	24	66	"InChI=1S/C67H123N33O15S/c68-25-3-1-11-40(92-53(106)39(13-5-27-84-62(72)73)91-50(103)34-90-52(105)48(100-51(104)38(70)35-116)33-36-19-21-37(101)22-20-36)54(107)93-41(12-2-4-26-69)55(108)94-42(14-6-28-85-63(74)75)56(109)95-44(16-8-30-87-65(78)79)58(111)98-46(23-24-49(71)102)60(113)97-43(15-7-29-86-64(76)77)57(110)96-45(17-9-31-88-66(80)81)59(112)99-47(61(114)115)18-10-32-89-67(82)83/h19-22,38-48,101,116H,1-18,23-35,68-70H2,(H2,71,102)(H,90,105)(H,91,103)(H,92,106)(H,93,107)(H,94,108)(H,95,109)(H,96,110)(H,97,113)(H,98,111)(H,99,112)(H,100,104)(H,114,115)(H4,72,73,84)(H4,74,75,85)(H4,76,77,86)(H4,78,79,87)(H4,80,81,88)(H4,82,83,89)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)CNC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](CS[H])N[H])C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](CCC(=O)N[H])C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)O	[H]NCCCCC(NC(=O)C(CCCN=C(N)N[H])NC(=O)CNC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(CS[H])N[H])C(=O)NC(CCCCN[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCC(=O)N[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCCN=C(N)N[H])C(=O)O	CCNCSLMFWCFJFV-AIFXSXIMSA-N	.
PEP00023	DAyaVCTf	914.992	C41H54N8O14S	347.86	914.3480194	-1.9681	64	12	13	15	"InChI=1S/C41H54N8O14S/c1-19(2)31-38(59)46-29(37(58)49-32(22(5)50)39(60)45-28(40(61)62)16-23-9-7-6-8-10-23)18-64-41(63)47-27(17-30(52)53)36(57)42-20(3)33(54)44-26(15-24-11-13-25(51)14-12-24)35(56)43-21(4)34(55)48-31/h6-14,19-22,26-29,31-32,50-51H,15-18H2,1-5H3,(H,42,57)(H,43,56)(H,44,54)(H,45,60)(H,46,59)(H,47,63)(H,48,55)(H,49,58)(H,52,53)(H,61,62)/t20-,21-,22+,26-,27-,28-,29-,31-,32-/m0/s1"	[H]Oc1ccc(C[C@@H]2NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)SC[C@@H](C(=O)N[C@]([H])(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)[C@@H](C)O[H])NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC2=O)cc1	[H]Oc1ccc(CC2NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)SCC(C(=O)NC([H])(C(=O)NC(Cc3ccccc3)C(=O)O)C(C)O[H])NC(=O)C(C(C)C)NC(=O)C(C)NC2=O)cc1	ZXSDHLXOBXFTPY-NUCIDEAWSA-N	.
PEP00024	Tumor homing peptide H-Asp-isoGlu-isoGlu-isoGlu-isoGlu-OH	647.591	C25H37N5O15	345.99	647.2286155	-3.2242	45	10	11	23	"InChI=1S/C25H37N5O15/c1-11(31)10-12(26)21(37)30-16(25(44)45)4-8-19(34)28-14(23(40)41)2-6-17(32)27-13(22(38)39)3-7-18(33)29-15(24(42)43)5-9-20(35)36/h12-16H,2-10,26H2,1H3,(H,27,32)(H,28,34)(H,29,33)(H,30,37)(H,35,36)(H,38,39)(H,40,41)(H,42,43)(H,44,45)/t12-,13-,14-,15-,16-/m0/s1"	CC(=O)C[C@H](N)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O	CC(=O)CC(N)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O	DQACDPMDQKVIEZ-QXKUPLGCSA-N	.
PEP00025	DHLASLWWGTEL	1427.582	C67H94N16O19	558.74	1426.688115	-2.3529	102	20	18	44	"InChI=1S/C67H94N16O19/c1-32(2)19-46(77-64(98)50(24-39-28-69-31-73-39)76-58(92)42(68)25-55(89)90)61(95)74-35(7)57(91)82-52(30-84)65(99)78-47(20-33(3)4)62(96)80-49(23-38-27-71-44-16-12-10-14-41(38)44)63(97)79-48(22-37-26-70-43-15-11-9-13-40(37)43)59(93)72-29-53(86)83-56(36(8)85)66(100)75-45(17-18-54(87)88)60(94)81-51(67(101)102)21-34(5)6/h9-16,26-28,31-36,42,45-52,56,70-71,84-85H,17-25,29-30,68H2,1-8H3,(H,69,73)(H,72,93)(H,74,95)(H,75,100)(H,76,92)(H,77,98)(H,78,99)(H,79,97)(H,80,96)(H,81,94)(H,82,91)(H,83,86)(H,87,88)(H,89,90)(H,101,102)/t35-,36+,42-,45-,46-,47-,48-,49-,50-,51-,52-,56-/m0/s1"	[H]OC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cn([H])cn1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cn([H])c2ccccc12)C(=O)N[C@@H](Cc1cn([H])c2ccccc12)C(=O)NCC(=O)N[C@]([H])(C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O[H]	[H]OCC(NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(Cc1cn([H])cn1)NC(=O)C(N)CC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(Cc1cn([H])c2ccccc12)C(=O)NC(Cc1cn([H])c2ccccc12)C(=O)NCC(=O)NC([H])(C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)O)C(C)O[H]	YQODHDVAOLQXDX-OYJBOSBESA-N	.
PEP00026	DYEMHLWWGTEL	1579.756	C74H98N16O21S	596.04	1578.681315	-0.845	112	21	20	49	"InChI=1S/C74H98N16O21S/c1-37(2)25-53(85-72(108)57(30-43-34-76-36-80-43)88-68(104)52(23-24-112-6)82-66(102)50(19-21-60(94)95)81-70(106)54(27-40-15-17-44(92)18-16-40)84-64(100)47(75)31-62(98)99)69(105)87-56(29-42-33-78-49-14-10-8-12-46(42)49)71(107)86-55(28-41-32-77-48-13-9-7-11-45(41)48)65(101)79-35-59(93)90-63(39(5)91)73(109)83-51(20-22-61(96)97)67(103)89-58(74(110)111)26-38(3)4/h7-18,32-34,36-39,47,50-58,63,77-78,91-92H,19-31,35,75H2,1-6H3,(H,76,80)(H,79,101)(H,81,106)(H,82,102)(H,83,109)(H,84,100)(H,85,108)(H,86,107)(H,87,105)(H,88,104)(H,89,103)(H,90,93)(H,94,95)(H,96,97)(H,98,99)(H,110,111)/t39-,47+,50+,51+,52+,53+,54+,55+,56+,57+,58+,63+/m1/s1"	[H]Oc1ccc(C[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc2cn([H])cn2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2cn([H])c3ccccc23)C(=O)N[C@@H](Cc2cn([H])c3ccccc23)C(=O)NCC(=O)N[C@]([H])(C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O[H])cc1	[H]Oc1ccc(CC(NC(=O)C(N)CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCSC)C(=O)NC(Cc2cn([H])cn2)C(=O)NC(CC(C)C)C(=O)NC(Cc2cn([H])c3ccccc23)C(=O)NC(Cc2cn([H])c3ccccc23)C(=O)NCC(=O)NC([H])(C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)O)C(C)O[H])cc1	HVXWLZHWGZUOKG-PWKKRAOMSA-N	.
PEP00027	GnRH analogs 3	1229.393	C55H76N18O13S	486.66	1228.555995	-3.991	87	18	16	33	"InChI=1S/C55H76N18O13S/c1-28(2)19-37(46(78)64-36(9-5-17-60-54(56)57)53(85)73-18-6-10-43(73)52(84)71-72-55(58)86)65-51(83)42(26-87)70-47(79)38(20-29-11-13-32(75)14-12-29)66-50(82)41(25-74)69-48(80)39(21-30-23-61-34-8-4-3-7-33(30)34)67-49(81)40(22-31-24-59-27-62-31)68-45(77)35-15-16-44(76)63-35/h3-4,7-8,11-14,23-24,27-28,35-43,61,74-75,87H,5-6,9-10,15-22,25-26H2,1-2H3,(H,59,62)(H,63,76)(H,64,78)(H,65,83)(H,66,82)(H,67,81)(H,68,77)(H,69,80)(H,70,79)(H,71,84)(H4,56,57,60)(H3,58,72,86)/t35-,36-,37-,38-,39-,40-,41-,42+,43-/m0/s1"	[H]N/C(N)=N/CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CS[H])NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](CO[H])NC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](Cc1cn([H])cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)NNC(N)=O	[H]NC(N)=NCCCC(NC(=O)C(CC(C)C)NC(=O)C(CS[H])NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(CO[H])NC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(Cc1cn([H])cn1)NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)NNC(N)=O	DTTVWTUMGAVWIK-STITWECQSA-N	.
PEP00028	GnRH analogs 1	1171.353	C54H74N16O12S	445.53	1170.539283	-3.2052	83	16	15	32	"InChI=1S/C54H74N16O12S/c1-28(2)19-37(47(76)63-36(9-5-17-59-54(56)57)53(82)70-18-6-10-43(70)45(55)74)64-52(81)42(26-83)69-48(77)38(20-29-11-13-32(72)14-12-29)65-51(80)41(25-71)68-49(78)39(21-30-23-60-34-8-4-3-7-33(30)34)66-50(79)40(22-31-24-58-27-61-31)67-46(75)35-15-16-44(73)62-35/h3-4,7-8,11-14,23-24,27-28,35-43,60,71-72,83H,5-6,9-10,15-22,25-26H2,1-2H3,(H2,55,74)(H,58,61)(H,62,73)(H,63,76)(H,64,81)(H,65,80)(H,66,79)(H,67,75)(H,68,78)(H,69,77)(H4,56,57,59)/t35-,36-,37-,38-,39-,40-,41-,42+,43-/m0/s1"	[H]N/C(N)=N/CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CS)NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](CO[H])NC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](Cc1cn([H])cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(N)=O	[H]NC(N)=NCCCC(NC(=O)C(CC(C)C)NC(=O)C(CS)NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(CO[H])NC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(Cc1cn([H])cn1)NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(N)=O	HMUXOGHHFIOCRA-STITWECQSA-N	.
PEP00029	GnRH analogs 2	1185.38	C55H76N16O12S	431.54	1184.554933	-2.9445	84	16	15	32	"InChI=1S/C55H76N16O12S/c1-29(2)20-38(47(76)64-37(10-6-18-60-55(56)57)54(83)71-19-7-11-44(71)53(82)58-3)65-52(81)43(27-84)70-48(77)39(21-30-12-14-33(73)15-13-30)66-51(80)42(26-72)69-49(78)40(22-31-24-61-35-9-5-4-8-34(31)35)67-50(79)41(23-32-25-59-28-62-32)68-46(75)36-16-17-45(74)63-36/h4-5,8-9,12-15,24-25,28-29,36-44,61,72-73,84H,6-7,10-11,16-23,26-27H2,1-3H3,(H,58,82)(H,59,62)(H,63,74)(H,64,76)(H,65,81)(H,66,80)(H,67,79)(H,68,75)(H,69,78)(H,70,77)(H4,56,57,60)/t36-,37-,38-,39-,40-,41-,42-,43+,44-/m0/s1"	[H]N/C(N)=N/CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CS)NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](CO[H])NC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](Cc1cn([H])cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)NC	[H]NC(N)=NCCCC(NC(=O)C(CC(C)C)NC(=O)C(CS)NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(CO[H])NC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(Cc1cn([H])cn1)NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)NC	MRMDZLKSEQFGPK-YSUREIBVSA-N	.
PEP00030	PSMA-617	319.314	C12H21N3O7	179.05	319.13795	-0.8142	22	6	5	11	"InChI=1S/C12H21N3O7/c13-6-2-1-3-7(10(18)19)14-12(22)15-8(11(20)21)4-5-9(16)17/h7-8H,1-6,13H2,(H,16,17)(H,18,19)(H,20,21)(H2,14,15,22)/t7-,8-/m0/s1"	NCCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O	NCCCCC(NC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O	ZZASEPMMGWJWOV-YUMQZZPRSA-N	.
PEP00031	Edotreotide	1035.26	C49H66N10O11S2	352.45	1034.435395	-1.0998	72	14	15	17	"InChI=1S/C49H66N10O11S2/c1-27(61)39(24-60)56-48(69)41-26-72-71-25-40(57-43(64)34(51)20-29-10-4-3-5-11-29)47(68)54-37(21-30-15-17-32(63)18-16-30)45(66)55-38(22-31-23-52-35-13-7-6-12-33(31)35)46(67)53-36(14-8-9-19-50)44(65)59-42(28(2)62)49(70)58-41/h3-7,10-13,15-18,23,27-28,34,36-42,52,60-63H,8-9,14,19-22,24-26,50-51H2,1-2H3,(H,53,67)(H,54,68)(H,55,66)(H,56,69)(H,57,64)(H,58,70)(H,59,65)/t27-,28-,34-,36+,37+,38-,39-,40+,41+,42+/m1/s1"	C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O	CC(O)C(CO)NC(=O)C1CSSCC(NC(=O)C(N)Cc2ccccc2)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)N1	LHCIROHUTQLZCZ-BGCOXABYSA-N	.
PEP00032	Dipeptide	312.369	C18H20N2O3	92.42	312.1473925	1.3685	23	3	3	7	"InChI=1S/C18H20N2O3/c19-15(11-13-7-3-1-4-8-13)17(21)20-16(18(22)23)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19H2,(H,20,21)(H,22,23)"	NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)O	NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)O	GKZIWHRNKRBEOH-UHFFFAOYSA-N	.
PEP00033	PasTAT	2522.065	C113H193N43O23	1140.49	2520.525449	-11.7919	179	35	32	90	"InChI=1S/C113H193N43O23/c1-5-65(4)89(153-101(172)80(59-64(2)3)152-100(171)81(61-67-29-10-7-11-30-67)151-90(161)68(117)60-66-27-8-6-9-28-66)106(177)155-57-25-41-83(155)102(173)148-69(31-12-15-47-114)91(162)139-62-87(159)138-63-88(160)140-70(34-18-50-132-108(120)121)92(163)141-71(32-13-16-48-115)93(164)142-72(33-14-17-49-116)94(165)143-73(35-19-51-133-109(122)123)95(166)144-75(37-21-53-135-111(126)127)97(168)147-77(43-45-85(118)157)99(170)146-74(36-20-52-134-110(124)125)96(167)145-76(38-22-54-136-112(128)129)98(169)149-78(39-23-55-137-113(130)131)104(175)156-58-26-42-84(156)105(176)154-56-24-40-82(154)103(174)150-79(107(178)179)44-46-86(119)158/h6-11,27-30,64-65,68-84,89H,5,12-26,31-63,114-117H2,1-4H3,(H2,118,157)(H2,119,158)(H,138,159)(H,139,162)(H,140,160)(H,141,163)(H,142,164)(H,143,165)(H,144,166)(H,145,167)(H,146,170)(H,147,168)(H,148,173)(H,149,169)(H,150,174)(H,151,161)(H,152,171)(H,153,172)(H,178,179)(H4,120,121,132)(H4,122,123,133)(H4,124,125,134)(H4,126,127,135)(H4,128,129,136)(H4,130,131,137)/t65-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,89-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN[H])NC(=O)[C@@H]1CCCN1C(=O)[C@@]([H])(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N[H])[C@@H](C)CC)C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](CCC(=O)N[H])C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)N[H])C(=O)O	[H]NCCCCC(NC(=O)C(CCCN=C(N)N[H])NC(=O)CNC(=O)CNC(=O)C(CCCCN[H])NC(=O)C1CCCN1C(=O)C([H])(NC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)N[H])C(C)CC)C(=O)NC(CCCCN[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCC(=O)N[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCCN=C(N)N[H])C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(CCC(=O)N[H])C(=O)O	FNPUIFNLJYLRTJ-ARLPCWNOSA-N	.
PEP00034	FFYEEG-ARVYIHPF	1775	C88H115N19O21	640.97	1773.851492	-1.066	128	21	21	54	"InChI=1S/C88H115N19O21/c1-6-50(4)74(85(125)103-67(45-57-46-92-48-95-57)86(126)107-39-17-25-69(107)83(123)104-68(87(127)128)44-54-22-14-9-15-23-54)106-82(122)66(43-56-28-32-59(109)33-29-56)102-84(124)73(49(2)3)105-79(119)61(24-16-38-93-88(90)91)97-75(115)51(5)96-70(110)47-94-77(117)62(34-36-71(111)112)98-78(118)63(35-37-72(113)114)99-80(120)65(42-55-26-30-58(108)31-27-55)101-81(121)64(41-53-20-12-8-13-21-53)100-76(116)60(89)40-52-18-10-7-11-19-52/h7-15,18-23,26-33,46,48-51,60-69,73-74,108-109H,6,16-17,24-25,34-45,47,89H2,1-5H3,(H,92,95)(H,94,117)(H,96,110)(H,97,115)(H,98,118)(H,99,120)(H,100,116)(H,101,121)(H,102,124)(H,103,125)(H,104,123)(H,105,119)(H,106,122)(H,111,112)(H,113,114)(H,127,128)(H4,90,91,93)/t50-,51-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,73-,74-/m0/s1"	[H]N/C(N)=N\CCC[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N[H])C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)N[C@]([H])(C(=O)N[C@@H](Cc1cn([H])cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC)C(C)C	[H]NC(N)=NCCCC(NC(=O)C(C)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)N[H])C(=O)NC(C(=O)NC(Cc1ccc(O[H])cc1)C(=O)NC([H])(C(=O)NC(Cc1cn([H])cn1)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)O)C(C)CC)C(C)C	OVOMAJDXIRYANZ-NDTBGCLXSA-N	.
PEP00035	Fmoc-FKKGSHC	805.96	C35H55N11O9S	338.87	805.3904933	-3.6729	56	13	13	32	"InChI=1S/C35H55N11O9S/c36-12-6-4-10-24(44-32(51)25(11-5-7-13-37)43-30(49)23(38)14-21-8-2-1-3-9-21)31(50)40-17-29(48)42-27(18-47)34(53)45-26(15-22-16-39-20-41-22)33(52)46-28(19-56)35(54)55/h1-3,8-9,16,20,23-28,47,56H,4-7,10-15,17-19,36-38H2,(H,39,41)(H,40,50)(H,42,48)(H,43,49)(H,44,51)(H,45,53)(H,46,52)(H,54,55)/t23-,24-,25-,26-,27-,28-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](Cc1ccccc1)N[H])C(=O)NCC(=O)N[C@@H](CO[H])C(=O)N[C@@H](Cc1cn([H])cn1)C(=O)N[C@@H](CS[H])C(=O)O	[H]NCCCCC(NC(=O)C(CCCCN[H])NC(=O)C(Cc1ccccc1)N[H])C(=O)NCC(=O)NC(CO[H])C(=O)NC(Cc1cn([H])cn1)C(=O)NC(CS[H])C(=O)O	GZRLWJSRJVEKFD-QUQVWLGBSA-N	.
PEP00036	DEF	659.875	C32H45N5O6S2	179.72	659.2811262	1.5519	45	7	8	21	"InChI=1S/C32H45N5O6S2/c1-20(2)16-25(30(40)36-26(18-22-12-8-5-9-13-22)31(41)37-27(19-44)32(42)43)35-29(39)24(14-15-45-3)34-28(38)23(33)17-21-10-6-4-7-11-21/h4-13,20,23-27,44H,14-19,33H2,1-3H3,(H,34,38)(H,35,39)(H,36,40)(H,37,41)(H,42,43)/t23-,24-,25-,26-,27-/m0/s1"	[H]N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS[H])C(=O)O	[H]NC(Cc1ccccc1)C(=O)NC(CCSC)C(=O)NC(CC(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(CS[H])C(=O)O	VJEDKXHQYPKRAZ-IRGGMKSGSA-N	.
PEP00037	HR97	1518.866	C64H115N27O14S	730.52	1517.883752	-9.3651	106	25	22	60	"InChI=1S/C64H115N27O14S/c65-25-7-4-17-39(82-49(93)34-81-51(95)46(35-92)89-50(94)38(68)33-37-15-2-1-3-16-37)52(96)84-41(20-10-28-77-61(69)70)55(99)85-42(21-11-29-78-62(71)72)54(98)83-40(18-5-8-26-66)53(97)86-43(22-12-30-79-63(73)74)56(100)88-45(19-6-9-27-67)59(103)91-32-14-24-48(91)58(102)87-44(23-13-31-80-64(75)76)57(101)90-47(36-106)60(104)105/h1-3,15-16,38-48,92,106H,4-14,17-36,65-68H2,(H,81,95)(H,82,93)(H,83,98)(H,84,96)(H,85,99)(H,86,97)(H,87,102)(H,88,100)(H,89,94)(H,90,101)(H,104,105)(H4,69,70,77)(H4,71,72,78)(H4,73,74,79)(H4,75,76,80)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1"	[H]NCCCC[C@H](NC(=O)CNC(=O)[C@H](CO[H])NC(=O)[C@H](Cc1ccccc1)N[H])C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](CCCCN[H])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](CS[H])C(=O)O	[H]NCCCCC(NC(=O)CNC(=O)C(CO[H])NC(=O)C(Cc1ccccc1)N[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCCCN[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCCCN[H])C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CS[H])C(=O)O	ZXJPQVHJLZHYBA-AIFXSXIMSA-N	.
PEP00038	E1-3	836.992	C41H60N10O9	313.76	836.4544735	-1.5894	60	10	10	24	"InChI=1S/C41H60N10O9/c1-24(2)20-31(40(59)60)49-36(55)30(22-27-14-8-5-9-15-27)48-34(53)25(3)46-38(57)33-17-11-19-51(33)39(58)29(16-10-18-45-41(43)44)47-37(56)32(23-52)50-35(54)28(42)21-26-12-6-4-7-13-26/h4-9,12-15,24-25,28-33,52H,10-11,16-23,42H2,1-3H3,(H,46,57)(H,47,56)(H,48,53)(H,49,55)(H,50,54)(H,59,60)(H4,43,44,45)/t25-,28-,29-,30-,31-,32-,33-/m0/s1"	[H]N/C(N)=N/CCC[C@H](NC(=O)[C@H](CO[H])NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)O	[H]NC(N)=NCCCC(NC(=O)C(CO[H])NC(=O)C(N)Cc1ccccc1)C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)O	HLXZSWBPMOOQLL-GCNYMACQSA-N	.
PEP00039	PDIP	3801.638	C172H291N47O45S2	1476.68	3799.136862	-9.4186	266	49	54	84	"InChI=1S/C172H291N47O45S2/c1-20-98(15)140-167(258)201-111(46-28-36-68-177)149(240)193-109(44-26-34-66-175)151(242)203-118(75-94(7)8)158(249)205-117(74-93(5)6)157(248)199-115(60-62-138(231)232)153(244)210-125(89-220)145(236)187-84-133(226)184-87-136(229)191-124(82-189-217-182)144(235)186-83-132(225)183-86-135(228)190-102(19)171(262)219-73-41-51-130(219)166(257)209-121(78-97(13)14)160(251)207-123(80-104-54-58-106(223)59-55-104)163(254)198-108(43-25-33-65-174)148(239)196-114(49-31-39-71-180)156(247)214-143(101(18)23-4)170(261)216-141(99(16)21-2)168(259)202-112(47-29-37-69-178)150(241)194-110(45-27-35-67-176)152(243)204-119(76-95(9)10)161(252)212-128(164(255)200-116(61-63-139(233)234)154(245)211-126(90-221)172(263)264)92-266-265-91-127(192-131(224)81-181)146(237)188-85-134(227)185-88-137(230)218-72-40-50-129(218)165(256)208-120(77-96(11)12)159(250)206-122(79-103-52-56-105(222)57-53-103)162(253)197-107(42-24-32-64-173)147(238)195-113(48-30-38-70-179)155(246)213-142(100(17)22-3)169(260)215-140/h52-59,93-102,107-130,140-143,220-223H,20-51,60-92,173-181H2,1-19H3,(H,183,225)(H,184,226)(H,185,227)(H,186,235)(H,187,236)(H,188,237)(H,190,228)(H,191,229)(H,192,224)(H,193,240)(H,194,241)(H,195,238)(H,196,239)(H,197,253)(H,198,254)(H,199,248)(H,200,255)(H,201,258)(H,202,259)(H,203,242)(H,204,243)(H,205,249)(H,206,250)(H,207,251)(H,208,256)(H,209,257)(H,210,244)(H,211,245)(H,212,252)(H,213,246)(H,214,247)(H,215,260)(H,216,261)(H,231,232)(H,233,234)(H,263,264)/t98-,99-,100-,101-,102-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,140-,141-,142-,143-/m0/s1"	[H]NCCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O[H])cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)CN[H])CSSC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO[H])C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CCCCN[H])NC(=O)[C@]([H])([C@@H](C)CC)NC(=O)[C@]([H])([C@@H](C)CC)NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](Cc2ccc(O[H])cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)CNC(=O)CNC(=O)[C@H](CN=[N+]=[N-])NC(=O)CNC(=O)CNC(=O)[C@H](CO[H])NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CCCCN[H])NC(=O)[C@]([H])([C@@H](C)CC)NC(=O)[C@]([H])([C@@H](C)CC)NC(=O)[C@H](CCCCN[H])NC1=O	[H]NCCCCC1NC(=O)C(Cc2ccc(O[H])cc2)NC(=O)C(CC(C)C)NC(=O)C2CCCN2C(=O)CNC(=O)CNC(=O)C(NC(=O)CN[H])CSSCC(C(=O)NC(CCC(=O)O)C(=O)NC(CO[H])C(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CCCCN[H])NC(=O)C(CCCCN[H])NC(=O)C([H])(C(C)CC)NC(=O)C([H])(C(C)CC)NC(=O)C(CCCCN[H])NC(=O)C(CCCCN[H])NC(=O)C(Cc2ccc(O[H])cc2)NC(=O)C(CC(C)C)NC(=O)C2CCCN2C(=O)C(C)NC(=O)CNC(=O)CNC(=O)C(CN=[N+]=[N-])NC(=O)CNC(=O)CNC(=O)C(CO[H])NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCCCN[H])NC(=O)C(CCCCN[H])NC(=O)C([H])(C(C)CC)NC(=O)C([H])(C(C)CC)NC(=O)C(CCCCN[H])NC1=O	QZWGXIGNYFPFJM-XDYYLVNKSA-N	.
PEP00040	EETI-2.5Z	3344.759	C133H203N45O45S6	1409.76	3342.330395	-18.5617	229	41	51	42	"InChI=1S/C133H203N45O45S6/c1-61(2)40-71-112(204)151-64(7)105(197)145-49-97(187)154-82-57-226-229-60-85(155-94(184)48-134)130(222)176-37-17-27-88(176)124(216)159-70(24-13-33-144-133(140)141)128(220)175-36-16-26-87(175)123(215)158-67(22-12-32-143-132(138)139)106(198)146-50-96(186)153-75(45-99(189)190)114(206)165-78(44-93(137)183)129(221)178-39-19-29-90(178)131(223)177-38-18-28-89(177)125(217)163-72(41-62(3)4)117(209)172-104(65(8)180)127(219)170-84-59-228-225-56-81(169-126(218)103(63(5)6)171-121(82)213)108(200)148-52-98(188)174-35-15-25-86(174)122(214)164-74(43-92(136)182)107(199)147-51-95(185)152-73(42-66-20-10-9-11-21-66)113(205)167-80(109(201)149-53-102(195)196)55-224-227-58-83(120(212)160-71)168-116(208)77(47-101(193)194)162-118(210)79(54-179)166-115(207)76(46-100(191)192)161-111(203)69(30-31-91(135)181)157-110(202)68(156-119(84)211)23-14-34-150-173-142/h9-11,20-21,61-65,67-90,103-104,179-180H,12-19,22-60,134H2,1-8H3,(H2,135,181)(H2,136,182)(H2,137,183)(H,145,197)(H,146,198)(H,147,199)(H,148,200)(H,149,201)(H,151,204)(H,152,185)(H,153,186)(H,154,187)(H,155,184)(H,156,211)(H,157,202)(H,158,215)(H,159,216)(H,160,212)(H,161,203)(H,162,210)(H,163,217)(H,164,214)(H,165,206)(H,166,207)(H,167,205)(H,168,208)(H,169,218)(H,170,219)(H,171,213)(H,172,209)(H,189,190)(H,191,192)(H,193,194)(H,195,196)(H4,138,139,143)(H4,140,141,144)/t64-,65+,67-,68?,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,103-,104-/m0/s1"	[H]NCC(=O)N[C@H]1CSSC[C@@H]2NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](Cc4ccccc4)NC(=O)CNC(=O)[C@H](CC(=O)N[H])NC(=O)[C@@H]4CCCN4C(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@]([H])([C@@H](C)O[H])NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]4CCCN4C(=O)[C@@H]4CCCN4C(=O)[C@H](CC(=O)N[H])NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@@H]4CCCN4C1=O)C(=O)NC(CCCN=[N+]=[N-])C(=O)N[C@@H](CCC(=O)N[H])C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO[H])C(=O)N[C@@H](CC(=O)O)C(=O)N3)NC(=O)[C@H](C(C)C)NC2=O	[H]NCC(=O)NC1CSSCC2NC(=O)CNC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C3CSSCC(C(=O)NCC(=O)O)NC(=O)C(Cc4ccccc4)NC(=O)CNC(=O)C(CC(=O)N[H])NC(=O)C4CCCN4C(=O)CNC(=O)C(CSSCC(NC(=O)C([H])(C(C)O[H])NC(=O)C(CC(C)C)NC(=O)C4CCCN4C(=O)C4CCCN4C(=O)C(CC(=O)N[H])NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N[H])NC(=O)C4CCCN4C(=O)C(CCCN=C(N)N[H])NC(=O)C4CCCN4C1=O)C(=O)NC(CCCN=[N+]=[N-])C(=O)NC(CCC(=O)N[H])C(=O)NC(CC(=O)O)C(=O)NC(CO[H])C(=O)NC(CC(=O)O)C(=O)N3)NC(=O)C(C(C)C)NC2=O	BSHOIAHSRSHKEB-NFKDFXAISA-N	.
PEP00041	GFLG	392.456	C19H28N4O5	150.62	392.20597	-0.5957	28	5	5	12	"InChI=1S/C19H28N4O5/c1-12(2)8-14(18(27)21-11-17(25)26)23-19(28)15(22-16(24)10-20)9-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11,20H2,1-2H3,(H,21,27)(H,22,24)(H,23,28)(H,25,26)/t14-,15-/m0/s1"	[H]NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O	[H]NCC(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)NCC(=O)O	WEZDRVHTDXTVLT-GJZGRUSLSA-N	.
PEP00042	GFLG-fQWAV-β-Ala-H-Aib-Nle	1430.677	C71H99N17O15	500.08	1429.750655	-0.7369	103	17	16	44	"InChI=1S/C71H99N17O15/c1-9-10-24-50(69(101)102)86-70(103)71(7,8)88-67(99)55(34-46-37-74-39-78-46)80-57(90)28-29-75-68(100)60(41(4)5)87-61(93)42(6)79-64(96)54(33-45-36-76-48-25-18-17-23-47(45)48)85-63(95)49(26-27-56(73)89)83-65(97)53(32-44-21-15-12-16-22-44)82-59(92)38-77-62(94)51(30-40(2)3)84-66(98)52(81-58(91)35-72)31-43-19-13-11-14-20-43/h11-23,25,36-37,39-42,49-55,60,76H,9-10,24,26-35,38,72H2,1-8H3,(H2,73,89)(H,74,78)(H,75,100)(H,77,94)(H,79,96)(H,80,90)(H,81,91)(H,82,92)(H,83,97)(H,84,98)(H,85,95)(H,86,103)(H,87,93)(H,88,99)(H,101,102)/t42-,49-,50-,51-,52-,53-,54-,55-,60-/m0/s1"	[H]NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)N[H])C(=O)N[C@@H](Cc1cn([H])c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCCC(=O)N[C@@H](Cc1cn([H])cn1)C(=O)NC(C)(C)C(=O)N[C@@H](CCCC)C(=O)O)C(C)C	[H]NCC(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(CCC(=O)N[H])C(=O)NC(Cc1cn([H])c2ccccc12)C(=O)NC(C)C(=O)NC(C(=O)NCCC(=O)NC(Cc1cn([H])cn1)C(=O)NC(C)(C)C(=O)NC(CCCC)C(=O)O)C(C)C	DRMAKTOZAOVTEU-LEXHIKCSSA-N	.
PEP00043	GFLG-fQWAV-β-Ala-H-N-Me-Ala-Nle	1430.677	C71H99N17O15	491.29	1429.750655	-0.7848	103	16	16	43	"InChI=1S/C71H99N17O15/c1-9-10-24-51(71(102)103)84-63(94)43(7)88(8)70(101)56(34-47-37-74-39-78-47)82-58(90)28-29-75-69(100)61(41(4)5)87-62(93)42(6)79-66(97)55(33-46-36-76-49-25-18-17-23-48(46)49)86-65(96)50(26-27-57(73)89)83-67(98)54(32-45-21-15-12-16-22-45)81-60(92)38-77-64(95)52(30-40(2)3)85-68(99)53(80-59(91)35-72)31-44-19-13-11-14-20-44/h11-23,25,36-37,39-43,50-56,61,76H,9-10,24,26-35,38,72H2,1-8H3,(H2,73,89)(H,74,78)(H,75,100)(H,77,95)(H,79,97)(H,80,91)(H,81,92)(H,82,90)(H,83,98)(H,84,94)(H,85,99)(H,86,96)(H,87,93)(H,102,103)/t42-,43?,50-,51-,52-,53-,54-,55-,56-,61-/m0/s1"	[H]NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(=O)N[C@@H](Cc1cn([H])c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCCC(=O)N[C@@H](Cc1cn([H])cn1)C(=O)N(C)C(C)C(=O)N[C@@H](CCCC)C(=O)O)C(C)C	[H]NC(=O)CCC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)CN)C(=O)NC(Cc1cn([H])c2ccccc12)C(=O)NC(C)C(=O)NC(C(=O)NCCC(=O)NC(Cc1cn([H])cn1)C(=O)N(C)C(C)C(=O)NC(CCCC)C(=O)O)C(C)C	WJBKAWUBPCTYAZ-QCFARHJHSA-N	.
PEP00044	GFLG-fQWAVGHL-Nle	1444.704	C72H101N17O15	500.08	1443.766306	-0.4909	104	17	16	45	"InChI=1S/C72H101N17O15/c1-9-10-24-51(72(103)104)85-67(98)53(29-41(4)5)87-70(101)57(33-47-36-75-39-79-47)83-61(93)38-78-71(102)62(42(6)7)89-63(94)43(8)80-66(97)56(32-46-35-76-49-25-18-17-23-48(46)49)88-65(96)50(26-27-58(74)90)84-68(99)55(31-45-21-15-12-16-22-45)82-60(92)37-77-64(95)52(28-40(2)3)86-69(100)54(81-59(91)34-73)30-44-19-13-11-14-20-44/h11-23,25,35-36,39-43,50-57,62,76H,9-10,24,26-34,37-38,73H2,1-8H3,(H2,74,90)(H,75,79)(H,77,95)(H,78,102)(H,80,97)(H,81,91)(H,82,92)(H,83,93)(H,84,99)(H,85,98)(H,86,100)(H,87,101)(H,88,96)(H,89,94)(H,103,104)/t43-,50-,51-,52-,53-,54-,55-,56-,57-,62-/m0/s1"	[H]NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)N[H])C(=O)N[C@@H](Cc1cn([H])c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1cn([H])cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)O)C(C)C	[H]NCC(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(CCC(=O)N[H])C(=O)NC(Cc1cn([H])c2ccccc12)C(=O)NC(C)C(=O)NC(C(=O)NCC(=O)NC(Cc1cn([H])cn1)C(=O)NC(CC(C)C)C(=O)NC(CCCC)C(=O)O)C(C)C	NBIRFIXOSXUQCV-JTPVVEPFSA-N	.
PEP00045	GFLG-fQWAVGH-Sta-L	1488.757	C74H105N17O16	520.31	1487.79252	-0.884	107	18	17	46	"InChI=1S/C74H105N17O16/c1-40(2)26-52(59(92)33-61(94)86-58(74(106)107)28-42(5)6)88-72(104)57(32-48-36-77-39-81-48)85-64(97)38-80-73(105)65(43(7)8)91-66(98)44(9)82-69(101)56(31-47-35-78-50-23-17-16-22-49(47)50)90-68(100)51(24-25-60(76)93)87-70(102)55(30-46-20-14-11-15-21-46)84-63(96)37-79-67(99)53(27-41(3)4)89-71(103)54(83-62(95)34-75)29-45-18-12-10-13-19-45/h10-23,35-36,39-44,51-59,65,78,92H,24-34,37-38,75H2,1-9H3,(H2,76,93)(H,77,81)(H,79,99)(H,80,105)(H,82,101)(H,83,95)(H,84,96)(H,85,97)(H,86,94)(H,87,102)(H,88,104)(H,89,103)(H,90,100)(H,91,98)(H,106,107)/t44-,51-,52-,53-,54-,55-,56-,57-,58-,59-,65-/m0/s1"	[H]NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)N[H])C(=O)N[C@@H](Cc1cn([H])c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1cn([H])cn1)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C	[H]NCC(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(CCC(=O)N[H])C(=O)NC(Cc1cn([H])c2ccccc12)C(=O)NC(C)C(=O)NC(C(=O)NCC(=O)NC(Cc1cn([H])cn1)C(=O)NC(CC(C)C)C(O)CC(=O)NC(CC(C)C)C(=O)O)C(C)C	SRNWZQDHNPJAPA-GNLFONPOSA-N	.
PEP00046	GFLG-QWAVGHL-Nle	1184.367	C57H81N15O13	441.88	1183.613828	-1.7493	85	15	14	37	"InChI=1S/C57H81N15O13/c1-7-8-17-40(57(84)85)69-55(82)44(24-36-27-60-30-64-36)68-48(76)29-63-56(83)49(32(4)5)72-50(77)33(6)65-53(80)43(23-35-26-61-38-18-13-12-16-37(35)38)71-52(79)39(19-20-45(59)73)66-47(75)28-62-51(78)41(21-31(2)3)70-54(81)42(67-46(74)25-58)22-34-14-10-9-11-15-34/h9-16,18,26-27,30-33,39-44,49,61H,7-8,17,19-25,28-29,58H2,1-6H3,(H2,59,73)(H,60,64)(H,62,78)(H,63,83)(H,65,80)(H,66,75)(H,67,74)(H,68,76)(H,69,82)(H,70,81)(H,71,79)(H,72,77)(H,84,85)/t33-,39-,40-,41-,42-,43-,44-,49-/m0/s1"	[H]NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(=O)N[H])C(=O)N[C@@H](Cc1cn([H])c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1cn([H])cn1)C(=O)N[C@@H](CCCC)C(=O)O)C(C)C	[H]NCC(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCC(=O)N[H])C(=O)NC(Cc1cn([H])c2ccccc12)C(=O)NC(C)C(=O)NC(C(=O)NCC(=O)NC(Cc1cn([H])cn1)C(=O)NC(CCCC)C(=O)O)C(C)C	QKGOJNONKVCNCN-UBKRBMGISA-N	.
PEP00047	AAM-1	2810.337	C129H201N39O30S	1050.79	2808.512227	-7.5039	199	37	37	90	"InChI=1S/C129H201N39O30S/c1-23-67(16)102(161-97(173)45-130)122(191)139-52-98(174)146-70(19)109(178)162-100(65(12)13)124(193)156-83(35-61(4)5)111(180)155-91(44-79-51-137-60-145-79)119(188)163-101(66(14)15)125(194)157-85(37-63(8)9)117(186)166-106(73(22)171)128(197)167-105(72(21)170)123(192)140-53-99(175)148-92(38-64(10)11)129(198)168-34-28-31-95(168)121(190)147-71(20)108(177)150-84(36-62(6)7)116(185)164-104(69(18)25-3)127(196)159-93(54-169)120(189)151-86(39-74-46-138-81-30-27-26-29-80(74)81)118(187)165-103(68(17)24-2)126(195)158-90(43-78-50-136-59-144-78)115(184)154-89(42-77-49-135-58-143-77)114(183)153-88(41-76-48-134-57-142-76)113(182)152-87(40-75-47-133-56-141-75)112(181)149-82(32-33-96(131)172)110(179)160-94(55-199)107(132)176/h26-27,29-30,46-51,56-73,82-95,100-106,138,169-171,199H,23-25,28,31-45,52-55,130H2,1-22H3,(H2,131,172)(H2,132,176)(H,133,141)(H,134,142)(H,135,143)(H,136,144)(H,137,145)(H,139,191)(H,140,192)(H,146,174)(H,147,190)(H,148,175)(H,149,181)(H,150,177)(H,151,189)(H,152,182)(H,153,183)(H,154,184)(H,155,180)(H,156,193)(H,157,194)(H,158,195)(H,159,196)(H,160,179)(H,161,173)(H,162,178)(H,163,188)(H,164,185)(H,165,187)(H,166,186)(H,167,197)/t67-,68-,69-,70-,71-,72+,73+,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,100-,101-,102-,103-,104-,105-,106-/m0/s1"	[H]NCC(=O)N[C@]([H])(C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cn([H])cn1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@]([H])(C(=O)N[C@]([H])(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@]([H])(C(=O)N[C@@H](CO[H])C(=O)N[C@@H](Cc1cn([H])c2ccccc12)C(=O)N[C@]([H])(C(=O)N[C@@H](Cc1cn([H])cn1)C(=O)N[C@@H](Cc1cn([H])cn1)C(=O)N[C@@H](Cc1cn([H])cn1)C(=O)N[C@@H](Cc1cn([H])cn1)C(=O)N[C@@H](CCC(=O)N[H])C(=O)N[C@@H](CS[H])C(N)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O[H])[C@@H](C)O[H])C(C)C)C(C)C)[C@@H](C)CC	[H]NCC(=O)NC([H])(C(=O)NCC(=O)NC(C)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(Cc1cn([H])cn1)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC([H])(C(=O)NC([H])(C(=O)NCC(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC([H])(C(=O)NC(CO[H])C(=O)NC(Cc1cn([H])c2ccccc12)C(=O)NC([H])(C(=O)NC(Cc1cn([H])cn1)C(=O)NC(Cc1cn([H])cn1)C(=O)NC(Cc1cn([H])cn1)C(=O)NC(Cc1cn([H])cn1)C(=O)NC(CCC(=O)N[H])C(=O)NC(CS[H])C(N)=O)C(C)CC)C(C)CC)C(C)O[H])C(C)O[H])C(C)C)C(C)C)C(C)CC	SSISKAXCUYBBAC-GZRKIABJSA-N	.
PEP00048	GLRKRLRKFRNK	1571.949	C69H126N28O14	762.17	1571.000831	-7.8258	111	25	21	63	"InChI=1S/C69H126N28O14/c1-39(2)34-49(87-54(99)38-73)61(106)91-44(23-14-30-83-66(75)76)56(101)88-42(20-8-11-27-70)55(100)90-46(25-16-32-85-68(79)80)59(104)95-50(35-40(3)4)62(107)92-45(24-15-31-84-67(77)78)57(102)89-43(21-9-12-28-71)58(103)96-51(36-41-18-6-5-7-19-41)63(108)93-47(26-17-33-86-69(81)82)60(105)97-52(37-53(74)98)64(109)94-48(65(110)111)22-10-13-29-72/h5-7,18-19,39-40,42-52H,8-17,20-38,70-73H2,1-4H3,(H2,74,98)(H,87,99)(H,88,101)(H,89,102)(H,90,100)(H,91,106)(H,92,107)(H,93,108)(H,94,109)(H,95,104)(H,96,103)(H,97,105)(H,110,111)(H4,75,76,83)(H4,77,78,84)(H4,79,80,85)(H4,81,82,86)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CC(=O)N[H])NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CC(C)C)NC(=O)CN[H])C(=O)O	[H]NCCCCC(NC(=O)C(CC(=O)N[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C(Cc1ccccc1)NC(=O)C(CCCCN[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCCN[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CC(C)C)NC(=O)CN[H])C(=O)O	GYHIJBSRBMDOPY-RZGVDQIZSA-N	.
PEP00049	GLRKRLRKFRNKIKEK	2070.574	C92H168N34O20	967.91	2069.317414	-8.7177	146	32	28	85	"InChI=1S/C92H168N34O20/c1-7-54(6)73(87(144)121-58(29-13-18-40-95)75(132)120-64(36-37-72(129)130)81(138)122-65(88(145)146)31-15-20-42-97)126-82(139)59(30-14-19-41-96)116-86(143)69(50-70(99)127)125-80(137)63(35-24-46-111-92(106)107)119-85(142)68(49-55-25-9-8-10-26-55)124-78(135)57(28-12-17-39-94)114-77(134)61(33-22-44-109-90(102)103)118-84(141)67(48-53(4)5)123-79(136)62(34-23-45-110-91(104)105)115-74(131)56(27-11-16-38-93)113-76(133)60(32-21-43-108-89(100)101)117-83(140)66(47-52(2)3)112-71(128)51-98/h8-10,25-26,52-54,56-69,73H,7,11-24,27-51,93-98H2,1-6H3,(H2,99,127)(H,112,128)(H,113,133)(H,114,134)(H,115,131)(H,116,143)(H,117,140)(H,118,141)(H,119,142)(H,120,132)(H,121,144)(H,122,138)(H,123,136)(H,124,135)(H,125,137)(H,126,139)(H,129,130)(H,145,146)(H4,100,101,108)(H4,102,103,109)(H4,104,105,110)(H4,106,107,111)/t54-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,73-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN[H])NC(=O)[C@@]([H])(NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CC(=O)N[H])NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CC(C)C)NC(=O)CN)[C@@H](C)CC)C(=O)O	[H]NCCCCC(NC(=O)C(CCC(=O)O)NC(=O)C(CCCCN[H])NC(=O)C([H])(NC(=O)C(CCCCN[H])NC(=O)C(CC(=O)N[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C(Cc1ccccc1)NC(=O)C(CCCCN[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCCN[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CC(C)C)NC(=O)CN)C(C)CC)C(=O)O	AXKXGFXKMSWIMQ-VVKFUZKCSA-N	.
PEP00050	GLRKRLRKFRNKIKK	1941.459	C87H161N33O17	901.51	1940.274821	-8.0673	137	30	26	81	"InChI=1S/C87H161N33O17/c1-7-52(6)69(82(135)115-56(29-13-18-38-90)73(126)116-62(83(136)137)31-15-20-40-92)120-77(130)57(30-14-19-39-91)111-81(134)66(48-67(94)121)119-76(129)61(35-24-44-106-87(101)102)114-80(133)65(47-53-25-9-8-10-26-53)118-74(127)55(28-12-17-37-89)109-72(125)59(33-22-42-104-85(97)98)113-79(132)64(46-51(4)5)117-75(128)60(34-23-43-105-86(99)100)110-70(123)54(27-11-16-36-88)108-71(124)58(32-21-41-103-84(95)96)112-78(131)63(45-50(2)3)107-68(122)49-93/h8-10,25-26,50-52,54-66,69H,7,11-24,27-49,88-93H2,1-6H3,(H2,94,121)(H,107,122)(H,108,124)(H,109,125)(H,110,123)(H,111,134)(H,112,131)(H,113,132)(H,114,133)(H,115,135)(H,116,126)(H,117,128)(H,118,127)(H,119,129)(H,120,130)(H,136,137)(H4,95,96,103)(H4,97,98,104)(H4,99,100,105)(H4,101,102,106)/t52-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,69-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CCCCN[H])NC(=O)[C@@]([H])(NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CC(=O)N[H])NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CC(C)C)NC(=O)CN[H])[C@@H](C)CC)C(=O)O	[H]NCCCCC(NC(=O)C(CCCCN[H])NC(=O)C([H])(NC(=O)C(CCCCN[H])NC(=O)C(CC(=O)N[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C(Cc1ccccc1)NC(=O)C(CCCCN[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCCN[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CC(C)C)NC(=O)CN[H])C(C)CC)C(=O)O	DLNKHRKQYOVMKA-FNGJUPFRSA-N	.
PEP00051	TAT	1719.047	C70H131N35O16	919.56	1718.051303	-13.0297	121	28	24	64	"InChI=1S/C70H131N35O16/c71-27-3-1-13-39(95-53(109)38(94-52(108)37-73)15-5-29-88-65(76)77)54(110)96-40(14-2-4-28-72)55(111)97-41(16-6-30-89-66(78)79)56(112)98-43(18-8-32-91-68(82)83)58(114)101-45(23-25-50(74)106)60(116)100-42(17-7-31-90-67(80)81)57(113)99-44(19-9-33-92-69(84)85)59(115)102-46(20-10-34-93-70(86)87)62(118)105-36-12-22-49(105)63(119)104-35-11-21-48(104)61(117)103-47(64(120)121)24-26-51(75)107/h38-49H,1-37,71-73H2,(H2,74,106)(H2,75,107)(H,94,108)(H,95,109)(H,96,110)(H,97,111)(H,98,112)(H,99,113)(H,100,116)(H,101,114)(H,102,115)(H,103,117)(H,120,121)(H4,76,77,88)(H4,78,79,89)(H4,80,81,90)(H4,82,83,91)(H4,84,85,92)(H4,86,87,93)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)CN[H])C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](CCC(=O)N[H])C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)N[H])C(=O)O	[H]NCCCCC(NC(=O)C(CCCN=C(N)N[H])NC(=O)CN[H])C(=O)NC(CCCCN[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCC(=O)N[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCCN=C(N)N[H])C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(CCC(=O)N[H])C(=O)O	RAIPPQLNSCSOOW-XNHKUAGSSA-N	.
PEP00052	TH19P01	1924.196	C85H138N26O25	853.92	1923.032644	-9.5817	136	29	27	69	"InChI=1S/C85H138N26O25/c1-9-10-22-52(73(125)105-58(37-49-20-12-11-13-21-49)77(129)101-54(24-15-17-34-87)75(127)108-61(42-112)79(131)102-57(31-32-66(119)120)76(128)109-62(43-113)80(132)107-60(83(135)136)38-50-27-29-51(115)30-28-50)100-78(130)59(39-63(88)116)106-74(126)56(26-19-36-94-85(91)92)104-82(134)68(45(4)5)111-65(118)41-96-69(121)46(6)97-71(123)53(23-14-16-33-86)99-70(122)47(7)98-72(124)55(25-18-35-93-84(89)90)103-81(133)67(44(2)3)110-64(117)40-95-48(8)114/h11-13,20-21,27-30,44-47,52-62,67-68,112-113,115H,9-10,14-19,22-26,31-43,86-87H2,1-8H3,(H2,88,116)(H,95,114)(H,96,121)(H,97,123)(H,98,124)(H,99,122)(H,100,130)(H,101,129)(H,102,131)(H,103,133)(H,104,134)(H,105,125)(H,106,126)(H,107,132)(H,108,127)(H,109,128)(H,110,117)(H,111,118)(H,119,120)(H,135,136)(H4,89,90,93)(H4,91,92,94)/t46-,47-,52+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,67-,68-/m0/s1"	[H]N/C(N)=N/CCC[C@H](NC(=O)[C@@H](NC(=O)CNC(C)=O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CCCC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO[H])C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO[H])C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)O)C(C)C	[H]NC(N)=NCCCC(NC(=O)C(NC(=O)CNC(C)=O)C(C)C)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NCC(=O)NC(C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CC(N)=O)C(=O)NC(CCCC)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCCN)C(=O)NC(CO[H])C(=O)NC(CCC(=O)O)C(=O)NC(CO[H])C(=O)NC(Cc1ccc(O[H])cc1)C(=O)O)C(C)C	HKLIGBPHNLVCGT-KWRCKQDASA-N	.
PEP00053	Transportan	2841.487	C134H226N34O33	1086.66	2839.705156	-6.2761	201	38	37	105	"InChI=1S/C134H226N34O33/c1-25-74(17)108(131(197)163-100(61-104(141)173)127(193)160-94(54-70(9)10)123(189)155-88(40-30-34-48-136)117(183)147-80(23)115(181)157-92(52-68(5)6)121(187)148-77(20)112(178)145-78(21)114(180)156-93(53-69(7)8)122(188)149-79(22)113(179)153-89(41-31-35-49-137)118(184)154-90(42-32-36-50-138)120(186)167-109(75(18)26-2)132(198)164-101(134(200)201)57-73(15)16)166-119(185)87(39-29-33-47-135)150-106(175)65-144-116(182)91(51-67(3)4)158-124(190)95(55-71(11)12)159-126(192)97(58-82-43-45-84(171)46-44-82)152-107(176)64-143-111(177)76(19)146-130(196)102(66-169)165-128(194)99(60-103(140)172)161-125(191)96(56-72(13)14)162-133(199)110(81(24)170)168-129(195)98(151-105(174)62-139)59-83-63-142-86-38-28-27-37-85(83)86/h27-28,37-38,43-46,63,67-81,87-102,108-110,142,169-171H,25-26,29-36,39-42,47-62,64-66,135-139H2,1-24H3,(H2,140,172)(H2,141,173)(H,143,177)(H,144,182)(H,145,178)(H,146,196)(H,147,183)(H,148,187)(H,149,188)(H,150,175)(H,151,174)(H,152,176)(H,153,179)(H,154,184)(H,155,189)(H,156,180)(H,157,181)(H,158,190)(H,159,192)(H,160,193)(H,161,191)(H,162,199)(H,163,197)(H,164,198)(H,165,194)(H,166,185)(H,167,186)(H,168,195)(H,200,201)/t74-,75-,76-,77-,78-,79-,80-,81+,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,108-,109-,110-/m0/s1"	[H]NCCCC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO[H])NC(=O)[C@H](CC(=O)N[H])NC(=O)[C@H](CC(C)C)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)CN[H])[C@@H](C)O[H])C(=O)N[C@]([H])(C(=O)N[C@@H](CC(=O)N[H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](CCCCN[H])C(=O)N[C@]([H])(C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC)[C@@H](C)CC	[H]NCCCCC(NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)CNC(=O)C(C)NC(=O)C(CO[H])NC(=O)C(CC(=O)N[H])NC(=O)C(CC(C)C)NC(=O)C([H])(NC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)CN[H])C(C)O[H])C(=O)NC([H])(C(=O)NC(CC(=O)N[H])C(=O)NC(CC(C)C)C(=O)NC(CCCCN[H])C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCCCN[H])C(=O)NC(CCCCN[H])C(=O)NC([H])(C(=O)NC(CC(C)C)C(=O)O)C(C)CC)C(C)CC	NCOFRWTVDUAEHE-CWUSWOHSSA-N	.
PEP00054	pHLIP (GGEQ)	4210.786	C194H290N46O57S	1635.34	4208.092868	-11.0925	298	55	54	136	"InChI=1S/C194H290N46O57S/c1-28-99(20)156(236-187(291)142-47-37-63-239(142)192(296)139(78-144(197)247)232-168(272)121(56-59-143(196)246)214-167(271)120(58-61-150(254)255)211-147(250)87-204-146(249)83-195)189(293)230-131(75-109-50-54-113(245)55-51-109)179(283)226-133(76-110-84-202-116-43-34-32-41-114(110)116)171(275)209-100(21)160(264)212-118(45-36-62-201-194(199)200)166(270)224-130(74-108-48-52-112(244)53-49-108)170(274)208-102(23)162(266)217-137(81-153(260)261)182(286)227-134(77-111-85-203-117-44-35-33-42-115(111)117)180(284)222-126(69-94(10)11)176(280)225-132(73-107-39-30-29-31-40-107)185(289)237-158(105(26)242)191(295)238-159(106(27)243)193(297)240-64-38-46-141(240)186(290)229-128(71-96(14)15)178(282)221-125(68-93(8)9)175(279)219-124(67-92(6)7)174(278)220-127(70-95(12)13)177(281)228-138(82-154(262)263)183(287)218-122(65-90(2)3)169(273)207-101(22)161(265)215-123(66-91(4)5)173(277)223-129(72-97(16)17)184(288)235-155(98(18)19)188(292)231-135(79-151(256)257)172(276)210-103(24)163(267)216-136(80-152(258)259)181(285)213-119(57-60-149(252)253)164(268)206-88-148(251)234-157(104(25)241)190(294)233-140(89-298)165(269)205-86-145(198)248/h29-35,39-44,48-55,84-85,90-106,118-142,155-159,202-203,241-245,298H,28,36-38,45-47,56-83,86-89,195H2,1-27H3,(H2,196,246)(H2,197,247)(H2,198,248)(H,204,249)(H,205,269)(H,206,268)(H,207,273)(H,208,274)(H,209,275)(H,210,276)(H,211,250)(H,212,264)(H,213,285)(H,214,271)(H,215,265)(H,216,267)(H,217,266)(H,218,287)(H,219,279)(H,220,278)(H,221,282)(H,222,284)(H,223,277)(H,224,270)(H,225,280)(H,226,283)(H,227,286)(H,228,281)(H,229,290)(H,230,293)(H,231,292)(H,232,272)(H,233,294)(H,234,251)(H,235,288)(H,236,291)(H,237,289)(H,238,295)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H4,199,200,201)/t99-,100-,101-,102-,103-,104+,105+,106+,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,155-,156-,157-,158-,159-/m0/s1"	[H]NCC(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N[H])C(=O)N[C@@H](CC(=O)N[H])C(=O)N1CCC[C@H]1C(=O)N[C@]([H])(C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)N[C@@H](Cc1cn([H])c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cn([H])c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@]([H])(C(=O)N[C@]([H])(C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@]([H])(C(=O)N[C@@H](CS[H])C(=O)NCC(N)=O)[C@@H](C)O[H])C(C)C)[C@@H](C)O[H])[C@@H](C)O[H])[C@@H](C)CC	[H]NCC(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)N[H])C(=O)NC(CC(=O)N[H])C(=O)N1CCCC1C(=O)NC([H])(C(=O)NC(Cc1ccc(O[H])cc1)C(=O)NC(Cc1cn([H])c2ccccc12)C(=O)NC(C)C(=O)NC(CCCN=C(N)N[H])C(=O)NC(Cc1ccc(O[H])cc1)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)NC(Cc1cn([H])c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC([H])(C(=O)NC([H])(C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC([H])(C(=O)NC(CS[H])C(=O)NCC(N)=O)C(C)O[H])C(C)C)C(C)O[H])C(C)O[H])C(C)CC	FJDWZOCTTHZENZ-PQUDPETMSA-N	.
PEP00055	Xenopus glucagon-like peptide-1 (xGLP-1)	3500.824	C158H235N37O53	1472.39	3498.683095	-11.0059	248	50	49	127	"InChI=1S/C158H235N37O53/c1-16-79(9)127(153(242)179-96(33-23-26-58-159)135(224)167-73-116(203)173-105(158(247)248)35-25-28-60-161)192-148(237)107(62-77(5)6)183-146(235)111(66-89-70-165-95-32-22-21-31-93(89)95)186-143(232)103(49-56-123(215)216)180-154(243)128(80(10)17-2)193-149(238)109(63-86-29-19-18-20-30-86)185-141(230)102(48-55-122(213)214)176-138(227)97(34-24-27-59-160)174-133(222)82(12)170-132(221)81(11)171-137(226)99(45-52-119(207)208)175-139(228)100(46-53-120(209)210)177-140(229)101(47-54-121(211)212)178-144(233)106(61-76(3)4)182-145(234)108(64-87-36-40-91(199)41-37-87)184-142(231)104(50-57-124(217)218)181-156(245)131(85(15)198)195-152(241)126(78(7)8)191-151(240)113(69-125(219)220)187-147(236)112(68-114(163)201)189-157(246)130(84(14)197)194-150(239)110(65-88-38-42-92(200)43-39-88)188-155(244)129(83(13)196)190-117(204)74-168-136(225)98(44-51-118(205)206)172-115(202)72-166-134(223)94(162)67-90-71-164-75-169-90/h18-22,29-32,36-43,70-71,75-85,94,96-113,126-131,165,196-200H,16-17,23-28,33-35,44-69,72-74,159-162H2,1-15H3,(H2,163,201)(H,164,169)(H,166,223)(H,167,224)(H,168,225)(H,170,221)(H,171,226)(H,172,202)(H,173,203)(H,174,222)(H,175,228)(H,176,227)(H,177,229)(H,178,233)(H,179,242)(H,180,243)(H,181,245)(H,182,234)(H,183,235)(H,184,231)(H,185,230)(H,186,232)(H,187,236)(H,188,244)(H,189,246)(H,190,204)(H,191,240)(H,192,237)(H,193,238)(H,194,239)(H,195,241)(H,205,206)(H,207,208)(H,209,210)(H,211,212)(H,213,214)(H,215,216)(H,217,218)(H,219,220)(H,247,248)/t79-,80-,81-,82-,83+,84+,85+,94-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,126-,127-,128-,129-,130-,131-/m0/s1"	[H]NCCCC[C@H](NC(=O)CNC(=O)[C@H](CCCCN[H])NC(=O)[C@@]([H])(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)N[H])NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@@]([H])(NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](Cc1cn([H])cn1)N[H])[C@@H](C)O[H])[C@@H](C)O[H])C(C)C)[C@@H](C)O[H])[C@@H](C)CC)[C@@H](C)CC)C(=O)O	[H]NCCCCC(NC(=O)CNC(=O)C(CCCCN[H])NC(=O)C([H])(NC(=O)C(CC(C)C)NC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(CCC(=O)O)NC(=O)C([H])(NC(=O)C(Cc1ccccc1)NC(=O)C(CCC(=O)O)NC(=O)C(CCCCN[H])NC(=O)C(C)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(CCC(=O)O)NC(=O)C([H])(NC(=O)C(NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)N[H])NC(=O)C([H])(NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C([H])(NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(Cc1cn([H])cn1)N[H])C(C)O[H])C(C)O[H])C(C)C)C(C)O[H])C(C)CC)C(C)CC)C(=O)O	WYCYMKZLFUNJPS-LJLQTVJLSA-N	.
PEP00056	Exendin-4 xGLP-1 fusion peptide (xGLP-Ex)	4278.657	C192H286N46O65	1759.82	4276.048813	-16.9897	303	58	61	147	"InChI=1S/C192H286N46O65/c1-17-96(9)153(183(293)215-114(38-24-27-67-193)161(271)201-87-142(250)209-123(40-26-29-69-195)189(299)235-70-30-41-135(235)180(290)227-133(90-240)179(289)226-132(89-239)163(273)203-85-140(248)205-100(13)188(298)237-72-32-43-137(237)191(301)238-73-33-44-138(238)190(300)236-71-31-42-136(236)181(291)228-134(91-241)192(302)303)231-175(285)125(75-94(5)6)219-173(283)129(79-107-83-199-113-37-23-22-36-111(107)113)222-170(280)121(58-65-149(262)263)216-184(294)154(97(10)18-2)232-176(286)127(76-104-34-20-19-21-35-104)221-168(278)120(57-64-148(260)261)212-165(275)115(39-25-28-68-194)210-159(269)99(12)206-158(268)98(11)207-164(274)117(54-61-145(254)255)211-166(276)118(55-62-146(256)257)213-167(277)119(56-63-147(258)259)214-171(281)124(74-93(3)4)218-172(282)126(77-105-45-49-109(245)50-46-105)220-169(279)122(59-66-150(264)265)217-186(296)157(103(16)244)234-182(292)152(95(7)8)230-178(288)131(82-151(266)267)223-174(284)130(81-139(197)247)225-187(297)156(102(15)243)233-177(287)128(78-106-47-51-110(246)52-48-106)224-185(295)155(101(14)242)229-143(251)88-202-162(272)116(53-60-144(252)253)208-141(249)86-200-160(270)112(196)80-108-84-198-92-204-108/h19-23,34-37,45-52,83-84,92-103,112,114-138,152-157,199,239-246H,17-18,24-33,38-44,53-82,85-91,193-196H2,1-16H3,(H2,197,247)(H,198,204)(H,200,270)(H,201,271)(H,202,272)(H,203,273)(H,205,248)(H,206,268)(H,207,274)(H,208,249)(H,209,250)(H,210,269)(H,211,276)(H,212,275)(H,213,277)(H,214,281)(H,215,293)(H,216,294)(H,217,296)(H,218,282)(H,219,283)(H,220,279)(H,221,278)(H,222,280)(H,223,284)(H,224,295)(H,225,297)(H,226,289)(H,227,290)(H,228,291)(H,229,251)(H,230,288)(H,231,285)(H,232,286)(H,233,287)(H,234,292)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,302,303)/t96-,97-,98-,99-,100-,101+,102+,103+,112-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,152-,153-,154-,155-,156-,157-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)N[H])NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@@]([H])(NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](Cc1cn([H])cn1)N[H])[C@@H](C)O[H])[C@@H](C)O[H])C(C)C)[C@@H](C)O[H])C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@]([H])(C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cn([H])c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@]([H])(C(=O)N[C@@H](CCCCN[H])C(=O)NCC(=O)N[C@@H](CCCCN[H])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO[H])C(=O)N[C@@H](CO[H])C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO[H])C(=O)O)[C@@H](C)CC)[C@@H](C)CC	[H]NCCCCC(NC(=O)C(C)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(CCC(=O)O)NC(=O)C([H])(NC(=O)C(NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)N[H])NC(=O)C([H])(NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C([H])(NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(Cc1cn([H])cn1)N[H])C(C)O[H])C(C)O[H])C(C)C)C(C)O[H])C(=O)NC(CCC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)NC([H])(C(=O)NC(CCC(=O)O)C(=O)NC(Cc1cn([H])c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC([H])(C(=O)NC(CCCCN[H])C(=O)NCC(=O)NC(CCCCN[H])C(=O)N1CCCC1C(=O)NC(CO[H])C(=O)NC(CO[H])C(=O)NCC(=O)NC(C)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(CO[H])C(=O)O)C(C)CC)C(C)CC	VZAFNEDFJHEJOQ-JGEDPTSESA-N	.
PEP00057	Lixisenatide xGLP-1 fusion peptide (xGLP-Sen)	4950.59	C223H351N57O70	2070.23	4947.565828	-19.2979	350	70	72	187	"InChI=1S/C223H351N57O70/c1-17-117(9)179(215(341)257-135(49-24-33-83-224)187(313)238-108-168(292)246-149(56-31-40-90-231)221(347)278-92-42-58-162(278)212(338)271-161(112-283)211(337)269-159(110-281)189(315)240-106-166(290)242-121(13)220(346)280-94-44-60-164(280)222(348)279-93-43-59-163(279)213(339)270-160(111-282)210(336)252-140(54-29-38-88-229)195(321)250-138(52-27-36-86-227)193(319)248-137(51-26-35-85-226)192(318)249-139(53-28-37-87-228)194(320)251-141(55-30-39-89-230)196(322)260-150(223(349)350)57-32-41-91-232)274-206(332)152(96-115(5)6)262-204(330)156(100-128-104-236-134-48-23-22-47-132(128)134)265-201(327)147(74-81-175(304)305)258-216(342)180(118(10)18-2)275-207(333)154(97-125-45-20-19-21-46-125)264-199(325)146(73-80-174(302)303)254-191(317)136(50-25-34-84-225)247-185(311)120(12)243-184(310)119(11)244-190(316)143(70-77-171(296)297)253-197(323)144(71-78-172(298)299)255-198(324)145(72-79-173(300)301)256-202(328)151(95-114(3)4)261-203(329)153(98-126-61-65-130(287)66-62-126)263-200(326)148(75-82-176(306)307)259-218(344)183(124(16)286)277-214(340)178(116(7)8)273-209(335)158(103-177(308)309)266-205(331)157(102-165(234)289)268-219(345)182(123(15)285)276-208(334)155(99-127-63-67-131(288)68-64-127)267-217(343)181(122(14)284)272-169(293)109-239-188(314)142(69-76-170(294)295)245-167(291)107-237-186(312)133(233)101-129-105-235-113-241-129/h19-23,45-48,61-68,104-105,113-124,133,135-164,178-183,236,281-288H,17-18,24-44,49-60,69-103,106-112,224-233H2,1-16H3,(H2,234,289)(H,235,241)(H,237,312)(H,238,313)(H,239,314)(H,240,315)(H,242,290)(H,243,310)(H,244,316)(H,245,291)(H,246,292)(H,247,311)(H,248,319)(H,249,318)(H,250,321)(H,251,320)(H,252,336)(H,253,323)(H,254,317)(H,255,324)(H,256,328)(H,257,341)(H,258,342)(H,259,344)(H,260,322)(H,261,329)(H,262,330)(H,263,326)(H,264,325)(H,265,327)(H,266,331)(H,267,343)(H,268,345)(H,269,337)(H,270,339)(H,271,338)(H,272,293)(H,273,335)(H,274,332)(H,275,333)(H,276,334)(H,277,340)(H,294,295)(H,296,297)(H,298,299)(H,300,301)(H,302,303)(H,304,305)(H,306,307)(H,308,309)(H,349,350)/t117-,118-,119-,120-,121-,122+,123+,124+,133-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,178-,179-,180-,181-,182-,183-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CO[H])NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CO[H])NC(=O)[C@H](CO[H])NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN[H])NC(=O)CNC(=O)[C@H](CCCCN[H])NC(=O)[C@@]([H])(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)N[H])NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@@]([H])(NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](Cc1cn([H])cn1)N[H])[C@@H](C)O[H])[C@@H](C)O[H])C(C)C)[C@@H](C)O[H])[C@@H](C)CC)[C@@H](C)CC)C(=O)O	[H]NCCCCC(NC(=O)C(CCCCN[H])NC(=O)C(CCCCN)NC(=O)C(CCCCN[H])NC(=O)C(CCCCN[H])NC(=O)C(CCCCN[H])NC(=O)C(CO[H])NC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(C)NC(=O)CNC(=O)C(CO[H])NC(=O)C(CO[H])NC(=O)C1CCCN1C(=O)C(CCCCN[H])NC(=O)CNC(=O)C(CCCCN[H])NC(=O)C([H])(NC(=O)C(CC(C)C)NC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(CCC(=O)O)NC(=O)C([H])(NC(=O)C(Cc1ccccc1)NC(=O)C(CCC(=O)O)NC(=O)C(CCCCN[H])NC(=O)C(C)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(CCC(=O)O)NC(=O)C([H])(NC(=O)C(NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)N[H])NC(=O)C([H])(NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C([H])(NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(Cc1cn([H])cn1)N[H])C(C)O[H])C(C)O[H])C(C)C)C(C)O[H])C(C)CC)C(C)CC)C(=O)O	QEAYBPTZEWVBND-OGNUMGNKSA-N	.
PEP00058	TFα-peptide	1864.145	C94H122N22O19	638.49	1862.92566	-1.1729	135	22	21	53	"InChI=1S/C94H122N22O19/c1-6-53(4)79(114-87(128)70(40-56-22-11-8-12-23-56)107-82(123)67(28-17-35-99-94(96)97)105-78(120)48-102-81(122)64(95)44-60-47-98-51-103-60)90(131)111-73(38-52(2)3)91(132)115-36-18-29-76(115)88(129)110-72(43-59-46-101-66-27-16-14-25-63(59)66)86(127)109-71(42-58-45-100-65-26-15-13-24-62(58)65)85(126)108-68(41-57-31-33-61(119)34-32-57)83(124)104-54(5)80(121)106-69(39-55-20-9-7-10-21-55)84(125)112-74(49-117)92(133)116-37-19-30-77(116)89(130)113-75(50-118)93(134)135/h7-16,20-27,31-34,45-47,51-54,64,67-77,79,100-101,117-119H,6,17-19,28-30,35-44,48-50,95H2,1-5H3,(H,98,103)(H,102,122)(H,104,124)(H,105,120)(H,106,121)(H,107,123)(H,108,126)(H,109,127)(H,110,129)(H,111,131)(H,112,125)(H,113,130)(H,114,128)(H,134,135)(H4,96,97,99)/t53-,54-,64-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,79-/m0/s1"	[H]N/C(N)=N\CCC[C@H](NC(=O)CNC(=O)[C@H](Cc1cn([H])cn1)N[H])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@]([H])(C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cn([H])c2ccccc12)C(=O)N[C@@H](Cc1cn([H])c2ccccc12)C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO[H])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO[H])C(=O)O)[C@@H](C)CC	[H]NC(N)=NCCCC(NC(=O)CNC(=O)C(Cc1cn([H])cn1)N[H])C(=O)NC(Cc1ccccc1)C(=O)NC([H])(C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC(Cc1cn([H])c2ccccc12)C(=O)NC(Cc1cn([H])c2ccccc12)C(=O)NC(Cc1ccc(O[H])cc1)C(=O)NC(C)C(=O)NC(Cc1ccccc1)C(=O)NC(CO[H])C(=O)N1CCCC1C(=O)NC(CO[H])C(=O)O)C(C)CC	GXGVVFLJUWDYIR-GXLYBCGISA-N	.
PEP00059	HSSKLQ	1012.133	C43H73N13O15	441.05	1011.534909	-5.6956	71	15	16	32	"InChI=1S/C43H73N13O15/c1-23(2)15-28(37(63)49-27(8-9-34(45)60)36(62)51-30(42(68)69)16-24(3)4)50-35(61)26(7-5-6-10-44)48-39(65)31(19-57)53-41(67)33(21-59)54-40(66)32(20-58)52-38(64)29(17-25-18-46-22-47-25)55-43(70)56-11-13-71-14-12-56/h18,22-24,26-33,57-59H,5-17,19-21,44H2,1-4H3,(H2,45,60)(H,46,47)(H,48,65)(H,49,63)(H,50,61)(H,51,62)(H,52,64)(H,53,67)(H,54,66)(H,55,70)(H,68,69)/t26-,27-,28-,29+,30-,31-,32-,33-/m1/s1"	CC(C)C[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)N1CCOCC1)C(=O)O	CC(C)CC(NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(Cc1cnc[nH]1)NC(=O)N1CCOCC1)C(=O)O	KPKNILCLSVDTPG-AKSDZJRTSA-N	.
PEP00060	p4	711.73	C29H45N9O12	329.94	711.3187679	-6.357	50	11	13	22	"InChI=1S/C29H45N9O12/c1-14(42)22(36-25(45)18(11-40)33-23(43)16(30)8-15-9-31-13-32-15)28(48)37-6-2-4-20(37)26(46)34-17(10-39)24(44)35-19(12-41)27(47)38-7-3-5-21(38)29(49)50/h9,13-14,16-22,39-42H,2-8,10-12,30H2,1H3,(H,31,32)(H,33,43)(H,34,46)(H,35,44)(H,36,45)(H,49,50)/t14-,16+,17+,18+,19+,20+,21+,22+/m1/s1"	[H]N[C@@H](Cc1cn([H])cn1)C(=O)N[C@@H](CO[H])C(=O)N[C@]([H])(C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO[H])C(=O)N[C@@H](CO[H])C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)O[H]	[H]NC(Cc1cn([H])cn1)C(=O)NC(CO[H])C(=O)NC([H])(C(=O)N1CCCC1C(=O)NC(CO[H])C(=O)NC(CO[H])C(=O)N1CCCC1C(=O)O)C(C)O[H]	UGJZBVVDFNJCKQ-AJWYFOLQSA-N	.
PEP00061	AP2H	1069.236	C48H76N16O12	431.49	1068.582862	-3.2917	76	15	15	35	"InChI=1S/C48H76N16O12/c1-9-25(6)37(49)45(73)60-31(12-28-15-50-21-55-28)41(69)53-18-35(66)58-32(13-29-16-51-22-56-29)42(70)59-33(14-30-17-52-23-57-30)43(71)63-40(27(8)11-3)48(76)64-39(26(7)10-2)47(75)61-34(20-65)44(72)62-38(24(4)5)46(74)54-19-36(67)68/h15-17,21-27,31-34,37-40,65H,9-14,18-20,49H2,1-8H3,(H,50,55)(H,51,56)(H,52,57)(H,53,69)(H,54,74)(H,58,66)(H,59,70)(H,60,73)(H,61,75)(H,62,72)(H,63,71)(H,64,76)(H,67,68)/t25-,26-,27-,31-,32-,33-,34-,37-,38-,39-,40-/m0/s1"	[H]N[C@]([H])(C(=O)N[C@@H](Cc1cn([H])cn1)C(=O)NCC(=O)N[C@@H](Cc1cn([H])cn1)C(=O)N[C@@H](Cc1cn([H])cn1)C(=O)N[C@]([H])(C(=O)N[C@]([H])(C(=O)N[C@@H](CO[H])C(=O)N[C@H](C(=O)NCC(=O)O)C(C)C)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC	[H]NC([H])(C(=O)NC(Cc1cn([H])cn1)C(=O)NCC(=O)NC(Cc1cn([H])cn1)C(=O)NC(Cc1cn([H])cn1)C(=O)NC([H])(C(=O)NC([H])(C(=O)NC(CO[H])C(=O)NC(C(=O)NCC(=O)O)C(C)C)C(C)CC)C(C)CC)C(C)CC	PMTFHYDSOKVWMQ-DPTCOMHNSA-N	.
PEP00062	Omiganan-NH-NH<sub>2</sub>	1794.198	C90H128N28O12	666.04	1793.026652	-0.0732	130	23	18	51	"InChI=1S/C90H128N28O12/c1-5-51(4)75(92)85(128)113-68(41-50(2)3)79(122)108-66(32-18-38-102-90(97)98)78(121)114-71(44-54-48-105-62-27-12-8-23-58(54)62)86(129)117-39-19-34-74(117)84(127)112-70(43-53-47-104-61-26-11-7-22-57(53)61)81(124)115-72(45-55-49-106-63-28-13-9-24-59(55)63)87(130)118-40-20-33-73(118)83(126)111-69(42-52-46-103-60-25-10-6-21-56(52)60)80(123)109-65(31-17-37-101-89(95)96)76(119)107-64(30-16-36-100-88(93)94)77(120)110-67(82(125)116-99)29-14-15-35-91/h6-13,21-28,46-51,64-75,103-106H,5,14-20,29-45,91-92,99H2,1-4H3,(H,107,119)(H,108,122)(H,109,123)(H,110,120)(H,111,126)(H,112,127)(H,113,128)(H,114,121)(H,115,124)(H,116,125)(H4,93,94,100)(H4,95,96,101)(H4,97,98,102)/t51-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CC(C)C)NC(=O)[C@@]([H])(N[H])[C@@H](C)CC)C(=O)NN	[H]NCCCCC(NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C1CCCN1C(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C1CCCN1C(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CC(C)C)NC(=O)C([H])(N[H])C(C)CC)C(=O)NN	JDCAHSIRIGVILK-BHDRXCTLSA-N	.
PEP00063	DEVD	661.666	C26H43N7O13	346.74	661.2918844	-3.9471	46	11	11	25	"InChI=1S/C26H43N7O13/c1-12(2)21(25(44)32-16(26(45)46)10-20(39)40)33-23(42)14(6-7-18(35)36)31-24(43)15(9-19(37)38)30-17(34)11-29-22(41)13(28)5-3-4-8-27/h12-16,21H,3-11,27-28H2,1-2H3,(H,29,41)(H,30,34)(H,31,43)(H,32,44)(H,33,42)(H,35,36)(H,37,38)(H,39,40)(H,45,46)/t13-,14-,15-,16-,21-/m0/s1"	[H]NCCCC[C@H](N[H])C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C	[H]NCCCCC(N[H])C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O)C(=O)O)C(C)C	WXMASBPOWHWEMR-GVZUZGFXSA-N	.
PEP00064	KGFRWR	849.011	C40H60N14O7	379.43	848.4769403	-2.3434	61	13	10	29	"InChI=1S/C40H60N14O7/c41-17-7-6-13-27(42)34(56)50-23-33(55)51-31(20-24-10-2-1-3-11-24)36(58)52-29(15-8-18-47-39(43)44)35(57)54-32(21-25-22-49-28-14-5-4-12-26(25)28)37(59)53-30(38(60)61)16-9-19-48-40(45)46/h1-5,10-12,14,22,27,29-32,49H,6-9,13,15-21,23,41-42H2,(H,50,56)(H,51,55)(H,52,58)(H,53,59)(H,54,57)(H,60,61)(H4,43,44,47)(H4,45,46,48)/t27-,29-,30-,31-,32-/m0/s1"	[H]NCCCC[C@H](N[H])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](Cc1cn([H])c2ccccc12)C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)O	[H]NCCCCC(N[H])C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(CCCN=C(N)N[H])C(=O)NC(Cc1cn([H])c2ccccc12)C(=O)NC(CCCN=C(N)N[H])C(=O)O	XJDKSQWPJKYMHZ-QDNWXXHKSA-N	.
PEP00065	CTCE	2145.522	C93H157N29O27S	944.46	2144.152442	-12.1709	150	35	33	85	"InChI=1S/C93H157N29O27S/c1-48(2)35-61(113-87(144)67(45-125)119-89(146)74(50(5)6)121-72(131)41-106-76(133)56(96)17-9-12-30-94)81(138)117-65(43-123)85(142)115-63(37-52-22-26-54(127)27-23-52)83(140)111-59(20-15-33-103-92(98)99)78(135)102-32-14-11-19-58(79(136)108-39-70(129)105-40-71(130)109-69(47-150)91(148)149)110-80(137)60(21-16-34-104-93(100)101)112-84(141)64(38-53-24-28-55(128)29-25-53)116-86(143)66(44-124)118-82(139)62(36-49(3)4)114-88(145)68(46-126)120-90(147)75(51(7)8)122-73(132)42-107-77(134)57(97)18-10-13-31-95/h22-29,48-51,56-69,74-75,123-128,150H,9-21,30-47,94-97H2,1-8H3,(H,102,135)(H,105,129)(H,106,133)(H,107,134)(H,108,136)(H,109,130)(H,110,137)(H,111,140)(H,112,141)(H,113,144)(H,114,145)(H,115,142)(H,116,143)(H,117,138)(H,118,139)(H,119,146)(H,120,147)(H,121,131)(H,122,132)(H,148,149)(H4,98,99,103)(H4,100,101,104)/t56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,74-,75-/m0/s1"	[H]NCCCC[C@H](N[H])C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO[H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO[H])C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)NCCCC[C@H](NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](CO[H])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO[H])NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCCCN[H])N[H])C(C)C)C(=O)NCC(=O)NCC(=O)N[C@@H](CS[H])C(=O)O)C(C)C	[H]NCCCCC(N[H])C(=O)NCC(=O)NC(C(=O)NC(CO[H])C(=O)NC(CC(C)C)C(=O)NC(CO[H])C(=O)NC(Cc1ccc(O[H])cc1)C(=O)NC(CCCN=C(N)N[H])C(=O)NCCCCC(NC(=O)C(CCCN=C(N)N[H])NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(CO[H])NC(=O)C(CC(C)C)NC(=O)C(CO[H])NC(=O)C(NC(=O)CNC(=O)C(CCCCN[H])N[H])C(C)C)C(=O)NCC(=O)NCC(=O)NC(CS[H])C(=O)O)C(C)C	KCBJDDJXOJDPFU-IIMGRFODSA-N	.
PEP00066	KKKRLNVGGTYFLTTRQ	2010.378	C90H152N28O24	902.88	2009.153428	-9.8654	142	31	29	78	"InChI=1S/C90H152N28O24/c1-46(2)39-61(110-78(131)58(26-19-37-101-89(97)98)107-76(129)57(25-15-18-36-93)106-75(128)56(24-14-17-35-92)105-74(127)55(94)23-13-16-34-91)79(132)113-65(43-67(96)124)83(136)116-70(48(5)6)84(137)104-44-68(125)103-45-69(126)115-71(49(7)119)85(138)114-64(42-53-28-30-54(122)31-29-53)81(134)112-63(41-52-21-11-10-12-22-52)80(133)111-62(40-47(3)4)82(135)117-73(51(9)121)87(140)118-72(50(8)120)86(139)108-59(27-20-38-102-90(99)100)77(130)109-60(88(141)142)32-33-66(95)123/h10-12,21-22,28-31,46-51,55-65,70-73,119-122H,13-20,23-27,32-45,91-94H2,1-9H3,(H2,95,123)(H2,96,124)(H,103,125)(H,104,137)(H,105,127)(H,106,128)(H,107,129)(H,108,139)(H,109,130)(H,110,131)(H,111,133)(H,112,134)(H,113,132)(H,114,138)(H,115,126)(H,116,136)(H,117,135)(H,118,140)(H,141,142)(H4,97,98,101)(H4,99,100,102)/t49-,50-,51-,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,70+,71+,72+,73+/m1/s1"	[H]NCCCC[C@H](N[H])C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N[H])C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@]([H])(C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@]([H])(C(=O)N[C@]([H])(C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](CCC(=O)N[H])C(=O)O)[C@@H](C)O[H])[C@@H](C)O[H])[C@@H](C)O[H])C(C)C	[H]NCCCCC(N[H])C(=O)NC(CCCCN[H])C(=O)NC(CCCCN[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CC(C)C)C(=O)NC(CC(=O)N[H])C(=O)NC(C(=O)NCC(=O)NCC(=O)NC([H])(C(=O)NC(Cc1ccc(O[H])cc1)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)NC([H])(C(=O)NC([H])(C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCC(=O)N[H])C(=O)O)C(C)O[H])C(C)O[H])C(C)O[H])C(C)C	YIIYNOVFQASQRF-CIRWCEOVSA-N	.
PEP00067	MDP26	1978.461	C90H164N26O23	862.44	1977.246266	-5.9441	139	27	27	82	"InChI=1S/C90H164N26O23/c1-47(2)41-63(84(132)103-55(23-15-19-39-93)77(125)110-62(90(138)139)24-16-20-40-94)111-79(127)57(26-32-70(97)118)105-86(134)65(43-49(5)6)113-81(129)59(28-34-72(99)120)107-88(136)67(45-51(9)10)115-83(131)61(30-36-74(101)122)109-89(137)68(46-52(11)12)116-82(130)60(29-35-73(100)121)108-87(135)66(44-50(7)8)114-80(128)58(27-33-71(98)119)106-85(133)64(42-48(3)4)112-78(126)56(25-31-69(96)117)104-76(124)54(22-14-18-38-92)102-75(123)53(95)21-13-17-37-91/h47-68H,13-46,91-95H2,1-12H3,(H2,96,117)(H2,97,118)(H2,98,119)(H2,99,120)(H2,100,121)(H2,101,122)(H,102,123)(H,103,132)(H,104,124)(H,105,134)(H,106,133)(H,107,136)(H,108,135)(H,109,137)(H,110,125)(H,111,127)(H,112,126)(H,113,129)(H,114,128)(H,115,131)(H,116,130)(H,138,139)/t53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N[H])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N[H])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N[H])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N[H])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N[H])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N[H])NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CCCCN[H])N[H])C(=O)O	[H]NCCCCC(NC(=O)C(CCCCN[H])NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)N[H])NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)N[H])NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)N[H])NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)N[H])NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)N[H])NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)N[H])NC(=O)C(CCCCN[H])NC(=O)C(CCCCN[H])N[H])C(=O)O	CMYXPQBISVBRQG-MFMIKQJCSA-N	.
PEP00068	Kb-C05	2093.794	C98H185N27O20S	792.12	2092.400992	-3.103	146	28	28	86	"InChI=1S/C98H185N27O20S/c1-20-59(14)78(96(144)121-73(49-57(10)11)93(141)122-76(52-146)79(107)127)124-87(135)67(37-25-31-43-103)113-84(132)64(34-22-28-40-100)111-81(129)62(17)110-88(136)69(45-53(2)3)116-82(130)61(16)108-80(128)60(15)109-89(137)74(50-58(12)13)123-97(145)98(18,19)125-95(143)68(38-26-32-44-104)115-91(139)72(48-56(8)9)119-94(142)75(51-77(106)126)120-86(134)66(36-24-30-42-102)112-85(133)65(35-23-29-41-101)114-90(138)71(47-55(6)7)118-92(140)70(46-54(4)5)117-83(131)63(105)33-21-27-39-99/h53-76,78,146H,20-52,99-105H2,1-19H3,(H2,106,126)(H2,107,127)(H,108,128)(H,109,137)(H,110,136)(H,111,129)(H,112,133)(H,113,132)(H,114,138)(H,115,139)(H,116,130)(H,117,131)(H,118,140)(H,119,142)(H,120,134)(H,121,144)(H,122,141)(H,123,145)(H,124,135)(H,125,143)/t59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,78-/m0/s1"	[H]NCCCC[C@H](N[H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](CC(=O)N[H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN[H])C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](CCCCN[H])C(=O)N[C@]([H])(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS[H])C(N)=O)[C@@H](C)CC	[H]NCCCCC(N[H])C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCCN[H])C(=O)NC(CCCCN[H])C(=O)NC(CC(=O)N[H])C(=O)NC(CC(C)C)C(=O)NC(CCCCN[H])C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCCCN[H])C(=O)NC(CCCCN[H])C(=O)NC([H])(C(=O)NC(CC(C)C)C(=O)NC(CS[H])C(N)=O)C(C)CC	LFMLMVFYYIPEKS-XKUBKBQJSA-N	.
PEP00069	Kb-C06	2151.83	C100H187N27O22S	815.43	2150.406472	-3.3875	150	29	29	88	"InChI=1S/C100H187N27O22S/c1-20-60(14)80(97(146)124-70(45-54(2)3)85(134)109-52-79(129)113-77(53-150)98(147)148)126-89(138)68(37-25-31-43-105)116-86(135)65(34-22-28-40-102)114-82(131)63(17)112-90(139)71(46-55(4)5)119-83(132)62(16)110-81(130)61(15)111-91(140)75(50-59(12)13)125-99(149)100(18,19)127-96(145)69(38-26-32-44-106)118-93(142)74(49-58(10)11)122-95(144)76(51-78(108)128)123-88(137)67(36-24-30-42-104)115-87(136)66(35-23-29-41-103)117-92(141)73(48-57(8)9)121-94(143)72(47-56(6)7)120-84(133)64(107)33-21-27-39-101/h54-77,80,150H,20-53,101-107H2,1-19H3,(H2,108,128)(H,109,134)(H,110,130)(H,111,140)(H,112,139)(H,113,129)(H,114,131)(H,115,136)(H,116,135)(H,117,141)(H,118,142)(H,119,132)(H,120,133)(H,121,143)(H,122,144)(H,123,137)(H,124,146)(H,125,149)(H,126,138)(H,127,145)(H,147,148)/t60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,80-/m0/s1"	[H]NCCCC[C@H](N[H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](CC(=O)N[H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN[H])C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](CCCCN[H])C(=O)N[C@]([H])(C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CS[H])C(=O)O)[C@@H](C)CC	[H]NCCCCC(N[H])C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCCN[H])C(=O)NC(CCCCN[H])C(=O)NC(CC(=O)N[H])C(=O)NC(CC(C)C)C(=O)NC(CCCCN[H])C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCCCN[H])C(=O)NC(CCCCN[H])C(=O)NC([H])(C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CS[H])C(=O)O)C(C)CC	HRMLZISFKLEGRX-FVQAYIOVSA-N	.
PEP00070	Kb-C07	2208.882	C102H190N28O23S	844.53	2207.427935	-4.2713	154	30	30	90	"InChI=1S/C102H190N28O23S/c1-20-61(14)82(99(150)127-71(45-55(2)3)87(138)112-52-80(132)111-53-81(133)116-78(54-154)100(151)152)129-91(142)69(37-25-31-43-107)119-88(139)66(34-22-28-40-104)117-84(135)64(17)115-92(143)72(46-56(4)5)122-85(136)63(16)113-83(134)62(15)114-93(144)76(50-60(12)13)128-101(153)102(18,19)130-98(149)70(38-26-32-44-108)121-95(146)75(49-59(10)11)125-97(148)77(51-79(110)131)126-90(141)68(36-24-30-42-106)118-89(140)67(35-23-29-41-105)120-94(145)74(48-58(8)9)124-96(147)73(47-57(6)7)123-86(137)65(109)33-21-27-39-103/h55-78,82,154H,20-54,103-109H2,1-19H3,(H2,110,131)(H,111,132)(H,112,138)(H,113,134)(H,114,144)(H,115,143)(H,116,133)(H,117,135)(H,118,140)(H,119,139)(H,120,145)(H,121,146)(H,122,136)(H,123,137)(H,124,147)(H,125,148)(H,126,141)(H,127,150)(H,128,153)(H,129,142)(H,130,149)(H,151,152)/t61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,82-/m0/s1"	[H]NCCCC[C@H](N[H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](CC(=O)N[H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN[H])C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](CCCCN[H])C(=O)N[C@]([H])(C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NCC(=O)N[C@@H](CS[H])C(=O)O)[C@@H](C)CC	[H]NCCCCC(N[H])C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCCN[H])C(=O)NC(CCCCN[H])C(=O)NC(CC(=O)N[H])C(=O)NC(CC(C)C)C(=O)NC(CCCCN[H])C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCCCN[H])C(=O)NC(CCCCN[H])C(=O)NC([H])(C(=O)NC(CC(C)C)C(=O)NCC(=O)NCC(=O)NC(CS[H])C(=O)O)C(C)CC	LHZQUPABGOBEDS-HNJPZGQESA-N	.
PEP00071	Kb-C08	2265.934	C104H193N29O24S	873.63	2264.449399	-5.1551	158	31	31	92	"InChI=1S/C104H193N29O24S/c1-20-62(14)84(101(154)130-72(45-56(2)3)89(142)115-53-82(136)113-52-81(135)114-54-83(137)119-79(55-158)102(155)156)132-93(146)70(37-25-31-43-109)122-90(143)67(34-22-28-40-106)120-86(139)65(17)118-94(147)73(46-57(4)5)125-87(140)64(16)116-85(138)63(15)117-95(148)77(50-61(12)13)131-103(157)104(18,19)133-100(153)71(38-26-32-44-110)124-97(150)76(49-60(10)11)128-99(152)78(51-80(112)134)129-92(145)69(36-24-30-42-108)121-91(144)68(35-23-29-41-107)123-96(149)75(48-59(8)9)127-98(151)74(47-58(6)7)126-88(141)66(111)33-21-27-39-105/h56-79,84,158H,20-55,105-111H2,1-19H3,(H2,112,134)(H,113,136)(H,114,135)(H,115,142)(H,116,138)(H,117,148)(H,118,147)(H,119,137)(H,120,139)(H,121,144)(H,122,143)(H,123,149)(H,124,150)(H,125,140)(H,126,141)(H,127,151)(H,128,152)(H,129,145)(H,130,154)(H,131,157)(H,132,146)(H,133,153)(H,155,156)/t62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,84-/m0/s1"	[H]NCCCC[C@H](N[H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](CC(=O)N[H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN[H])C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](CCCCN[H])C(=O)N[C@]([H])(C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CS[H])C(=O)O)[C@@H](C)CC	[H]NCCCCC(N[H])C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCCN[H])C(=O)NC(CCCCN[H])C(=O)NC(CC(=O)N[H])C(=O)NC(CC(C)C)C(=O)NC(CCCCN[H])C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCCCN[H])C(=O)NC(CCCCN[H])C(=O)NC([H])(C(=O)NC(CC(C)C)C(=O)NCC(=O)NCC(=O)NCC(=O)NC(CS[H])C(=O)O)C(C)CC	ZLBNCPVGHRGKST-JUZUOIPZSA-N	.
PEP00072	Cyclic NGR 4	615.718	C23H41N11O7S	322.1	615.2911137	-5.6681	42	10	10	12	"InChI=1S/C23H41N11O7S/c24-6-2-1-4-12-21(40)33-14(8-16(25)35)20(39)30-9-17(36)31-13(5-3-7-29-23(27)28)22(41)34-15(19(26)38)10-42-11-18(37)32-12/h12-15H,1-11,24H2,(H2,25,35)(H2,26,38)(H,30,39)(H,31,36)(H,32,37)(H,33,40)(H,34,41)(H4,27,28,29)/t12-,13-,14-,15-/m0/s1"	[H]NCCCC[C@@H]1NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)CNC(=O)[C@H](CC(=O)N[H])NC1=O	[H]NCCCCC1NC(=O)CSCC(C(N)=O)NC(=O)C(CCCN=C(N)N[H])NC(=O)CNC(=O)C(CC(=O)N[H])NC1=O	BKDZZBGCOVCALG-AJNGGQMLSA-N	.
PEP00073	Cyclic NGR 3	730.806	C27H46N12O10S	374.51	730.3180567	-6.8364	50	12	12	16	"InChI=1S/C27H46N12O10S/c28-6-2-1-4-14-25(48)38-16(8-18(29)40)23(46)35-10-20(42)36-15(5-3-7-32-27(30)31)26(49)39-17(12-50-13-21(43)37-14)24(47)34-9-19(41)33-11-22(44)45/h14-17H,1-13,28H2,(H2,29,40)(H,33,41)(H,34,47)(H,35,46)(H,36,42)(H,37,43)(H,38,48)(H,39,49)(H,44,45)(H4,30,31,32)/t14-,15-,16-,17-/m0/s1"	[H]NCCCC[C@@H]1NC(=O)CSC[C@@H](C(=O)NCC(=O)NCC(=O)O)NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)CNC(=O)[C@H](CC(=O)N[H])NC1=O	[H]NCCCCC1NC(=O)CSCC(C(=O)NCC(=O)NCC(=O)O)NC(=O)C(CCCN=C(N)N[H])NC(=O)CNC(=O)C(CC(=O)N[H])NC1=O	WOIMSHMUWSTVAR-QAETUUGQSA-N	.
PEP00074	Cyclic NGR 6	584.635	C23H40N10O8	316.31	584.3030582	-5.0218	41	10	9	8	"InChI=1S/C23H40N10O8/c24-12-4-1-2-8-28-17(35)7-6-14(22(40)41)32-21(39)13(5-3-9-29-23(26)27)31-18(36)11-30-20(38)15(10-16(25)34)33-19(12)37/h12-15H,1-11,24H2,(H2,25,34)(H,28,35)(H,30,38)(H,31,36)(H,32,39)(H,33,37)(H,40,41)(H4,26,27,29)/t12-,13-,14-,15-/m0/s1"	[H]NC(=O)C[C@@H]1NC(=O)[C@@H](N[H])CCCCNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)CNC1=O	[H]NC(=O)CC1NC(=O)C(N[H])CCCCNC(=O)CCC(C(=O)O)NC(=O)C(CCCN=C(N)N[H])NC(=O)CNC1=O	SZGQWKZJNNJZFH-AJNGGQMLSA-N	.
PEP00075	Cyclic NGR 5	698.739	C27H46N12O10	374.51	698.3459857	-6.7894	49	12	11	12	"InChI=1S/C27H46N12O10/c28-14-4-1-2-8-32-19(41)7-6-16(24(47)35-11-20(42)34-13-22(44)45)38-26(49)15(5-3-9-33-27(30)31)37-21(43)12-36-25(48)17(10-18(29)40)39-23(14)46/h14-17H,1-13,28H2,(H2,29,40)(H,32,41)(H,34,42)(H,35,47)(H,36,48)(H,37,43)(H,38,49)(H,39,46)(H,44,45)(H4,30,31,33)/t14-,15-,16-,17-/m0/s1"	[H]NC(=O)C[C@@H]1NC(=O)[C@@H](N[H])CCCCNC(=O)CC[C@@H](C(=O)NCC(=O)NCC(=O)O)NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)CNC1=O	[H]NC(=O)CC1NC(=O)C(N[H])CCCCNC(=O)CCC(C(=O)NCC(=O)NCC(=O)O)NC(=O)C(CCCN=C(N)N[H])NC(=O)CNC1=O	ZDNYFGMYNXXVSB-QAETUUGQSA-N	.
PEP00076	P-(A5G27)-FITC	1725.121	C83H133N23O17	685.78	1724.02498	-3.8892	123	23	21	61	"InChI=1S/C83H133N23O17/c1-11-48(9)67(81(123)106-68(49(10)12-2)80(122)102-61(40-51-25-17-14-18-26-51)76(118)99-59(39-50-23-15-13-16-24-50)74(116)98-57(37-45(3)4)73(115)95-55(69(87)111)28-21-35-92-82(88)89)104-65(110)43-94-71(113)62(42-64(86)109)101-75(117)60(41-52-30-32-53(108)33-31-52)100-78(120)63(44-107)103-79(121)66(47(7)8)105-77(119)58(38-46(5)6)97-72(114)56(29-22-36-93-83(90)91)96-70(112)54(85)27-19-20-34-84/h13-18,23-26,30-33,45-49,54-63,66-68,107-108H,11-12,19-22,27-29,34-44,84-85H2,1-10H3,(H2,86,109)(H2,87,111)(H,94,113)(H,95,115)(H,96,112)(H,97,114)(H,98,116)(H,99,118)(H,100,120)(H,101,117)(H,102,122)(H,103,121)(H,104,110)(H,105,119)(H,106,123)(H4,88,89,92)(H4,90,91,93)/t48-,49-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,66-,67-,68-/m0/s1"	[H]NCCCC[C@H](N[H])C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO[H])C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)N[C@@H](CC(=O)N[H])C(=O)NCC(=O)N[C@]([H])(C(=O)N[C@]([H])(C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC/N=C(\N)N[H])C(N)=O)[C@@H](C)CC)[C@@H](C)CC)C(C)C	[H]NCCCCC(N[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CO[H])C(=O)NC(Cc1ccc(O[H])cc1)C(=O)NC(CC(=O)N[H])C(=O)NCC(=O)NC([H])(C(=O)NC([H])(C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N[H])C(N)=O)C(C)CC)C(C)CC)C(C)C	KPLRCZDIFWVGTF-NWDMPNHUSA-N	.
PEP00077	KTVRTSADE	987.083	C40H70N14O15	493.4	986.5145075	-8.2842	69	17	16	15	"InChI=1S/C40H70N14O15/c1-17(2)28-37(67)49-23(10-8-14-46-40(43)44)34(64)54-29(19(4)56)38(68)51-25(16-55)36(66)47-18(3)32(62)50-24(15-27(59)60)35(65)48-22(31(42)61)11-12-26(58)45-13-7-6-9-21(41)33(63)53-30(20(5)57)39(69)52-28/h17-25,28-30,55-57H,6-16,41H2,1-5H3,(H2,42,61)(H,45,58)(H,47,66)(H,48,65)(H,49,67)(H,50,62)(H,51,68)(H,52,69)(H,53,63)(H,54,64)(H,59,60)(H4,43,44,46)/t18-,19+,20+,21-,22-,23-,24-,25-,28-,29-,30-/m0/s1"	[H]N/C(N)=N/CCC[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@]([H])([C@@H](C)O[H])NC(=O)[C@@H](N[H])CCCCNC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CO[H])NC(=O)[C@]([H])([C@@H](C)O[H])NC1=O	[H]NC(N)=NCCCC1NC(=O)C(C(C)C)NC(=O)C([H])(C(C)O[H])NC(=O)C(N[H])CCCCNC(=O)CCC(C(N)=O)NC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(CO[H])NC(=O)C([H])(C(C)O[H])NC1=O	JARIEEXGEICJNQ-MYDGDSNPSA-N	.
PEP00078	P-(A5G27scrm)-FITC	1725.121	C83H133N23O17	685.78	1724.02498	-3.8892	123	23	21	61	"InChI=1S/C83H133N23O17/c1-11-48(9)67(80(122)98-57(69(87)111)42-64(86)109)105-73(115)56(29-22-36-93-83(90)91)97-78(120)63(44-107)103-77(119)62(41-52-30-32-53(108)33-31-52)102-81(123)68(49(10)12-2)106-72(114)55(28-21-35-92-82(88)89)96-74(116)58(37-45(3)4)99-76(118)61(40-51-25-17-14-18-26-51)95-65(110)43-94-71(113)60(39-50-23-15-13-16-24-50)100-75(117)59(38-46(5)6)101-79(121)66(47(7)8)104-70(112)54(85)27-19-20-34-84/h13-18,23-26,30-33,45-49,54-63,66-68,107-108H,11-12,19-22,27-29,34-44,84-85H2,1-10H3,(H2,86,109)(H2,87,111)(H,94,113)(H,95,110)(H,96,116)(H,97,120)(H,98,122)(H,99,118)(H,100,117)(H,101,121)(H,102,123)(H,103,119)(H,104,112)(H,105,115)(H,106,114)(H4,88,89,92)(H4,90,91,93)/t48-,49-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,66-,67-,68-/m0/s1"	[H]NCCCC[C@H](N[H])C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@]([H])(C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)N[C@@H](CO[H])C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@]([H])(C(=O)N[C@@H](CC(=O)N[H])C(N)=O)[C@@H](C)CC)[C@@H](C)CC)C(C)C	[H]NCCCCC(N[H])C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(Cc1ccccc1)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N[H])C(=O)NC([H])(C(=O)NC(Cc1ccc(O[H])cc1)C(=O)NC(CO[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC([H])(C(=O)NC(CC(=O)N[H])C(N)=O)C(C)CC)C(C)CC)C(C)C	FRUJCYBMVDKHFQ-NWDMPNHUSA-N	.
PEP00079	LNCaP-specific peptide	1491.713	C73H102N16O18	543.11	1490.7558	-0.8122	107	19	19	47	"InChI=1S/C73H102N16O18/c1-8-40(6)61(71(104)85-56(73(106)107)31-44-34-77-50-16-10-9-14-48(44)50)88-67(100)53(32-45-35-76-37-78-45)83-70(103)60(39(4)5)87-68(101)57(36-90)86-66(99)54(33-59(93)94)82-69(102)58-17-13-27-89(58)72(105)55(30-43-20-24-47(92)25-21-43)84-62(95)41(7)79-64(97)51(28-38(2)3)81-65(98)52(29-42-18-22-46(91)23-19-42)80-63(96)49(75)15-11-12-26-74/h9-10,14,16,18-25,34-35,37-41,49,51-58,60-61,77,90-92H,8,11-13,15,17,26-33,36,74-75H2,1-7H3,(H,76,78)(H,79,97)(H,80,96)(H,81,98)(H,82,102)(H,83,103)(H,84,95)(H,85,104)(H,86,99)(H,87,101)(H,88,100)(H,93,94)(H,106,107)/t40-,41-,49-,51-,52-,53-,54-,55-,56-,57-,58-,60-,61-/m0/s1"	[H]NCCCC[C@H](N[H])C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO[H])C(=O)N[C@H](C(=O)N[C@@H](Cc1cn([H])cn1)C(=O)N[C@]([H])(C(=O)N[C@@H](Cc1cn([H])c2ccccc12)C(=O)O)[C@@H](C)CC)C(C)C	[H]NCCCCC(N[H])C(=O)NC(Cc1ccc(O[H])cc1)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(Cc1ccc(O[H])cc1)C(=O)N1CCCC1C(=O)NC(CC(=O)O)C(=O)NC(CO[H])C(=O)NC(C(=O)NC(Cc1cn([H])cn1)C(=O)NC([H])(C(=O)NC(Cc1cn([H])c2ccccc12)C(=O)O)C(C)CC)C(C)C	LDCMKJGJHPLNKZ-DQBGLSEJSA-N	.
PEP00080	D4	685.868	C31H59N9O8	293.45	685.4486598	-1.5851	48	10	9	24	"InChI=1S/C31H59N9O8/c1-15(2)12-20(32)26(43)36-18(7)25(42)37-21(10-9-11-35-31(33)34)27(44)38-22(13-16(3)4)28(45)39-23(14-17(5)6)29(46)40-24(19(8)41)30(47)48/h15-24,41H,9-14,32H2,1-8H3,(H,36,43)(H,37,42)(H,38,44)(H,39,45)(H,40,46)(H,47,48)(H4,33,34,35)/t18-,19+,20-,21-,22-,23-,24-/m0/s1"	[H]N/C(N)=N\CCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N[H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@]([H])(C(=O)O)[C@@H](C)O[H]	[H]NC(N)=NCCCC(NC(=O)C(C)NC(=O)C(CC(C)C)N[H])C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC([H])(C(=O)O)C(C)O[H]	QVUMHZRMHJFGJJ-IWMXCVPLSA-N	.
PEP00081	Heptapeptide	749.951	C37H63N7O9	231.78	749.4687266	0.3448	53	6	9	19	"InChI=1S/C37H63N7O9/c1-20(2)17-24(38)34(49)42-14-8-11-27(42)32(47)39-25(18-21(3)4)31(46)41-30(23(7)45)36(51)43-15-9-12-28(43)33(48)40-26(19-22(5)6)35(50)44-16-10-13-29(44)37(52)53/h20-30,45H,8-19,38H2,1-7H3,(H,39,47)(H,40,48)(H,41,46)(H,52,53)/t23-,24+,25+,26+,27+,28+,29+,30+/m1/s1"	[H]N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@]([H])(C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)O[H]	[H]NC(CC(C)C)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC([H])(C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)O)C(C)O[H]	SZIINWGROOJTLF-DFXDLVLWSA-N	.
PEP00082	HK2 substrate	960.152	C43H73N15O10	403.29	959.5664835	-3.01416	68	15	12	30	"InChI=1S/C43H73N15O10/c1-26(2)23-33(40(65)66)57-38(63)31(15-10-18-50-42(47)48)54-37(62)30(14-9-17-49-41(45)46)55-39(64)32(24-28-11-5-4-6-12-28)56-35(60)27(3)52-36(61)29(13-7-8-16-44)53-34(59)25-51-43(67)58-19-21-68-22-20-58/h4-6,11-12,26-27,29-33H,7-10,13-25,44H2,1-3H3,(H,51,67)(H,52,61)(H,53,59)(H,54,62)(H,55,64)(H,56,60)(H,57,63)(H,65,66)(H4,45,46,49)(H4,47,48,50)/t27-,29-,30-,31?,32-,33-/m0/s1"	CC(C)C[C@H](NC(=O)C(CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)N1CCOCC1)C(=O)O	CC(C)CC(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(Cc1ccccc1)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)CNC(=O)N1CCOCC1)C(=O)O	ORCWGJVHLUXOAZ-PASMNNOISA-N	.
PEP00083	LRRY-fQWAV-&beta;-Ala-H-Aib-Nle	1644.95	C79H117N23O16	649.11	1643.904865	-2.1869	118	22	19	53	"InChI=1S/C79H117N23O16/c1-9-10-21-57(75(116)117)100-76(118)79(7,8)102-73(114)61(39-49-41-86-42-91-49)93-63(105)31-34-87-74(115)64(44(4)5)101-65(106)45(6)92-70(111)60(38-48-40-90-53-22-15-14-20-51(48)53)99-69(110)56(29-30-62(81)104)96-71(112)58(36-46-18-12-11-13-19-46)98-72(113)59(37-47-25-27-50(103)28-26-47)97-68(109)55(24-17-33-89-78(84)85)95-67(108)54(23-16-32-88-77(82)83)94-66(107)52(80)35-43(2)3/h11-15,18-20,22,25-28,40-45,52,54-61,64,90,103H,9-10,16-17,21,23-24,29-39,80H2,1-8H3,(H2,81,104)(H,86,91)(H,87,115)(H,92,111)(H,93,105)(H,94,107)(H,95,108)(H,96,112)(H,97,109)(H,98,113)(H,99,110)(H,100,118)(H,101,106)(H,102,114)(H,116,117)(H4,82,83,88)(H4,84,85,89)/t45-,52-,54-,55-,56-,57+,58-,59-,60-,61+,64-/m0/s1"	[H]NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CC(C)C)N[H])C(=O)N[C@@H](Cc1cn([H])c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCCC(=O)N[C@H](Cc1cn([H])cn1)C(=O)NC(C)(C)C(=O)N[C@H](CCCC)C(=O)O)C(C)C	[H]NC(=O)CCC(NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CC(C)C)N[H])C(=O)NC(Cc1cn([H])c2ccccc12)C(=O)NC(C)C(=O)NC(C(=O)NCCC(=O)NC(Cc1cn([H])cn1)C(=O)NC(C)(C)C(=O)NC(CCCC)C(=O)O)C(C)C	RBAHKJYIHKUSOL-VNRUPWOQSA-N	.
PEP00084	LRRY-fQWAV-&beta;-Ala-H-N-Me-Ala-Nle	1644.95	C79H117N23O16	640.32	1643.904865	-2.2348	118	21	19	53	"InChI=1S/C79H117N23O16/c1-9-10-21-58(77(117)118)97-67(107)46(7)102(8)76(116)62(39-50-41-86-42-91-50)93-64(105)31-34-87-75(115)65(44(4)5)101-66(106)45(6)92-72(112)61(38-49-40-90-54-22-15-14-20-52(49)54)100-71(111)57(29-30-63(81)104)96-73(113)59(36-47-18-12-11-13-19-47)99-74(114)60(37-48-25-27-51(103)28-26-48)98-70(110)56(24-17-33-89-79(84)85)95-69(109)55(23-16-32-88-78(82)83)94-68(108)53(80)35-43(2)3/h11-15,18-20,22,25-28,40-46,53,55-62,65,90,103H,9-10,16-17,21,23-24,29-39,80H2,1-8H3,(H2,81,104)(H,86,91)(H,87,115)(H,92,112)(H,93,105)(H,94,108)(H,95,109)(H,96,113)(H,97,107)(H,98,110)(H,99,114)(H,100,111)(H,101,106)(H,117,118)(H4,82,83,88)(H4,84,85,89)/t45-,46?,53-,55-,56-,57-,58-,59-,60-,61-,62-,65-/m0/s1"	[H]NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CC(C)C)N[H])C(=O)N[C@@H](Cc1cn([H])c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCCC(=O)N[C@@H](Cc1cn([H])cn1)C(=O)N(C)C(C)C(=O)N[C@@H](CCCC)C(=O)O)C(C)C	[H]NC(=O)CCC(NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CC(C)C)N[H])C(=O)NC(Cc1cn([H])c2ccccc12)C(=O)NC(C)C(=O)NC(C(=O)NCCC(=O)NC(Cc1cn([H])cn1)C(=O)N(C)C(C)C(=O)NC(CCCC)C(=O)O)C(C)C	RQBSNEXXOOYYSH-AODHMKCDSA-N	.
PEP00085	LRRYFQWAVAH-Sta-Nle	1717.057	C83H125N23O17	669.34	1715.96238	-1.7998	123	23	20	57	"InChI=1S/C83H125N23O17/c1-9-10-21-60(81(122)123)97-69(111)41-66(108)61(36-46(4)5)102-79(120)65(40-52-43-90-44-95-52)98-68(110)31-34-91-80(121)70(47(6)7)106-71(112)48(8)96-76(117)64(39-51-42-94-56-22-15-14-20-54(51)56)105-75(116)59(29-30-67(85)109)101-77(118)62(37-49-18-12-11-13-19-49)104-78(119)63(38-50-25-27-53(107)28-26-50)103-74(115)58(24-17-33-93-83(88)89)100-73(114)57(23-16-32-92-82(86)87)99-72(113)55(84)35-45(2)3/h11-15,18-20,22,25-28,42-48,55,57-66,70,94,107-108H,9-10,16-17,21,23-24,29-41,84H2,1-8H3,(H2,85,109)(H,90,95)(H,91,121)(H,96,117)(H,97,111)(H,98,110)(H,99,113)(H,100,114)(H,101,118)(H,102,120)(H,103,115)(H,104,119)(H,105,116)(H,106,112)(H,122,123)(H4,86,87,92)(H4,88,89,93)/t48-,55-,57-,58-,59-,60+,61-,62-,63-,64-,65+,66-,70-/m0/s1"	[H]NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CC(C)C)N[H])C(=O)N[C@@H](Cc1cn([H])c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCCC(=O)N[C@H](Cc1cn([H])cn1)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@H](CCCC)C(=O)O)C(C)C	[H]NC(=O)CCC(NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CC(C)C)N[H])C(=O)NC(Cc1cn([H])c2ccccc12)C(=O)NC(C)C(=O)NC(C(=O)NCCC(=O)NC(Cc1cn([H])cn1)C(=O)NC(CC(C)C)C(O)CC(=O)NC(CCCC)C(=O)O)C(C)C	RYJDMDWWVGCJCW-YZMKESDISA-N	.
PEP00086	LRRY-fQWAVGHL-Nle	1658.977	C80H119N23O16	649.11	1657.920515	-1.9409	119	22	19	54	"InChI=1S/C80H119N23O16/c1-9-10-21-58(78(118)119)98-73(113)59(34-44(4)5)99-76(116)63(38-50-40-87-42-92-50)94-65(106)41-91-77(117)66(45(6)7)103-67(107)46(8)93-72(112)62(37-49-39-90-54-22-15-14-20-52(49)54)102-71(111)57(29-30-64(82)105)97-74(114)60(35-47-18-12-11-13-19-47)101-75(115)61(36-48-25-27-51(104)28-26-48)100-70(110)56(24-17-32-89-80(85)86)96-69(109)55(23-16-31-88-79(83)84)95-68(108)53(81)33-43(2)3/h11-15,18-20,22,25-28,39-40,42-46,53,55-63,66,90,104H,9-10,16-17,21,23-24,29-38,41,81H2,1-8H3,(H2,82,105)(H,87,92)(H,91,117)(H,93,112)(H,94,106)(H,95,108)(H,96,109)(H,97,114)(H,98,113)(H,99,116)(H,100,110)(H,101,115)(H,102,111)(H,103,107)(H,118,119)(H4,83,84,88)(H4,85,86,89)/t46-,53-,55-,56-,57-,58-,59-,60-,61-,62-,63-,66-/m0/s1"	[H]NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CC(C)C)N[H])C(=O)N[C@@H](Cc1cn([H])c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1cn([H])cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)O)C(C)C	[H]NC(=O)CCC(NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CC(C)C)N[H])C(=O)NC(Cc1cn([H])c2ccccc12)C(=O)NC(C)C(=O)NC(C(=O)NCC(=O)NC(Cc1cn([H])cn1)C(=O)NC(CC(C)C)C(=O)NC(CCCC)C(=O)O)C(C)C	DZULMTCLPWCRRA-KLEYOUKGSA-N	.
PEP00087	LRRY-fQWAVGH-Sta-L	1703.03	C82H123N23O17	669.34	1701.946729	-2.334	122	23	20	55	"InChI=1S/C82H123N23O17/c1-43(2)31-54(83)71(112)98-56(21-15-29-90-81(85)86)72(113)99-57(22-16-30-91-82(87)88)73(114)102-61(35-49-23-25-52(106)26-24-49)77(118)103-60(34-48-17-11-10-12-18-48)76(117)100-58(27-28-66(84)108)74(115)104-62(36-50-39-92-55-20-14-13-19-53(50)55)75(116)95-47(9)70(111)105-69(46(7)8)79(120)93-41-68(110)96-63(37-51-40-89-42-94-51)78(119)101-59(32-44(3)4)65(107)38-67(109)97-64(80(121)122)33-45(5)6/h10-14,17-20,23-26,39-40,42-47,54,56-65,69,92,106-107H,15-16,21-22,27-38,41,83H2,1-9H3,(H2,84,108)(H,89,94)(H,93,120)(H,95,116)(H,96,110)(H,97,109)(H,98,112)(H,99,113)(H,100,117)(H,101,119)(H,102,114)(H,103,118)(H,104,115)(H,105,111)(H,121,122)(H4,85,86,90)(H4,87,88,91)/t47-,54-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,69-/m0/s1"	[H]NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CC(C)C)N[H])C(=O)N[C@@H](Cc1cn([H])c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1cn([H])cn1)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C	[H]NC(=O)CCC(NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CC(C)C)N[H])C(=O)NC(Cc1cn([H])c2ccccc12)C(=O)NC(C)C(=O)NC(C(=O)NCC(=O)NC(Cc1cn([H])cn1)C(=O)NC(CC(C)C)C(O)CC(=O)NC(CC(C)C)C(=O)O)C(C)C	ATACYNIUNSAFIN-YZKQTGFDSA-N	.
PEP00088	LRRYfQWAVGHStaL-NH<sub>2</sub>	1703.03	C82H123N23O17	669.34	1701.946729	-2.334	122	23	20	55	"InChI=1S/C82H123N23O17/c1-43(2)31-54(83)71(112)98-56(21-15-29-90-81(85)86)72(113)99-57(22-16-30-91-82(87)88)73(114)102-61(35-49-23-25-52(106)26-24-49)77(118)103-60(34-48-17-11-10-12-18-48)76(117)100-58(27-28-66(84)108)74(115)104-62(36-50-39-92-55-20-14-13-19-53(50)55)75(116)95-47(9)70(111)105-69(46(7)8)79(120)93-41-68(110)96-63(37-51-40-89-42-94-51)78(119)101-59(32-44(3)4)65(107)38-67(109)97-64(80(121)122)33-45(5)6/h10-14,17-20,23-26,39-40,42-47,54,56-65,69,92,106-107H,15-16,21-22,27-38,41,83H2,1-9H3,(H2,84,108)(H,89,94)(H,93,120)(H,95,116)(H,96,110)(H,97,109)(H,98,112)(H,99,113)(H,100,117)(H,101,119)(H,102,114)(H,103,118)(H,104,115)(H,105,111)(H,121,122)(H4,85,86,90)(H4,87,88,91)/t47-,54-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,69-/m0/s1"	[H]NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CC(C)C)N[H])C(=O)N[C@@H](Cc1cn([H])c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1cn([H])cn1)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C	[H]NC(=O)CCC(NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CC(C)C)N[H])C(=O)NC(Cc1cn([H])c2ccccc12)C(=O)NC(C)C(=O)NC(C(=O)NCC(=O)NC(Cc1cn([H])cn1)C(=O)NC(CC(C)C)C(O)CC(=O)NC(CC(C)C)C(=O)O)C(C)C	ATACYNIUNSAFIN-YZKQTGFDSA-N	.
PEP00089	LRRYfQWAV&beta;AlaHStaNle-NH<sub>2</sub>	1716.073	C83H126N24O16	675.13	1714.978364	-2.3991	123	23	20	57	"InChI=1S/C83H126N24O16/c1-9-10-21-57(71(86)113)98-69(112)41-66(109)61(36-46(4)5)103-80(122)65(40-52-43-91-44-96-52)99-68(111)31-34-92-81(123)70(47(6)7)107-72(114)48(8)97-77(119)64(39-51-42-95-56-22-15-14-20-54(51)56)106-76(118)60(29-30-67(85)110)102-78(120)62(37-49-18-12-11-13-19-49)105-79(121)63(38-50-25-27-53(108)28-26-50)104-75(117)59(24-17-33-94-83(89)90)101-74(116)58(23-16-32-93-82(87)88)100-73(115)55(84)35-45(2)3/h11-15,18-20,22,25-28,42-48,55,57-66,70,95,108-109H,9-10,16-17,21,23-24,29-41,84H2,1-8H3,(H2,85,110)(H2,86,113)(H,91,96)(H,92,123)(H,97,119)(H,98,112)(H,99,111)(H,100,115)(H,101,116)(H,102,120)(H,103,122)(H,104,117)(H,105,121)(H,106,118)(H,107,114)(H4,87,88,93)(H4,89,90,94)/t48-,55-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,70-/m0/s1"	[H]NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CC(C)C)N[H])C(=O)N[C@@H](Cc1cn([H])c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCCC(=O)N[C@@H](Cc1cn([H])cn1)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](CCCC)C(N)=O)C(C)C	[H]NC(=O)CCC(NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CC(C)C)N[H])C(=O)NC(Cc1cn([H])c2ccccc12)C(=O)NC(C)C(=O)NC(C(=O)NCCC(=O)NC(Cc1cn([H])cn1)C(=O)NC(CC(C)C)C(O)CC(=O)NC(CCCC)C(N)=O)C(C)C	AGQJTIWKURCGIO-YQLVRJPKSA-N	.
PEP00090	LRRY-QWAVGHL-Nle	1511.8	C71H110N22O15	620.01	1510.852101	-2.6684	108	21	18	50	"InChI=1S/C71H110N22O15/c1-9-10-16-51(69(107)108)89-65(103)52(29-38(4)5)90-67(105)55(32-43-34-78-36-83-43)85-57(96)35-82-68(106)58(39(6)7)93-59(97)40(8)84-64(102)54(31-42-33-81-47-17-12-11-15-45(42)47)92-63(101)50(24-25-56(73)95)88-66(104)53(30-41-20-22-44(94)23-21-41)91-62(100)49(19-14-27-80-71(76)77)87-61(99)48(18-13-26-79-70(74)75)86-60(98)46(72)28-37(2)3/h11-12,15,17,20-23,33-34,36-40,46,48-55,58,81,94H,9-10,13-14,16,18-19,24-32,35,72H2,1-8H3,(H2,73,95)(H,78,83)(H,82,106)(H,84,102)(H,85,96)(H,86,98)(H,87,99)(H,88,104)(H,89,103)(H,90,105)(H,91,100)(H,92,101)(H,93,97)(H,107,108)(H4,74,75,79)(H4,76,77,80)/t40-,46-,48-,49-,50-,51-,52-,53-,54-,55-,58-/m0/s1"	[H]NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CC(C)C)N[H])C(=O)N[C@@H](Cc1cn([H])c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1cn([H])cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)O)C(C)C	[H]NC(=O)CCC(NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CC(C)C)N[H])C(=O)NC(Cc1cn([H])c2ccccc12)C(=O)NC(C)C(=O)NC(C(=O)NCC(=O)NC(Cc1cn([H])cn1)C(=O)NC(CC(C)C)C(=O)NC(CCCC)C(=O)O)C(C)C	QHTFUSMQSDHRFC-UTHWUPJASA-N	.
PEP00091	LRRYQWAVGHLNle-NH<sub>2</sub>	1510.816	C71H111N23O14	625.8	1509.868085	-3.2677	108	21	18	50	"InChI=1S/C71H111N23O14/c1-9-10-16-48(59(74)98)87-66(105)52(29-38(4)5)91-68(107)55(32-43-34-79-36-84-43)86-57(97)35-83-69(108)58(39(6)7)94-60(99)40(8)85-65(104)54(31-42-33-82-47-17-12-11-15-45(42)47)93-64(103)51(24-25-56(73)96)90-67(106)53(30-41-20-22-44(95)23-21-41)92-63(102)50(19-14-27-81-71(77)78)89-62(101)49(18-13-26-80-70(75)76)88-61(100)46(72)28-37(2)3/h11-12,15,17,20-23,33-34,36-40,46,48-55,58,82,95H,9-10,13-14,16,18-19,24-32,35,72H2,1-8H3,(H2,73,96)(H2,74,98)(H,79,84)(H,83,108)(H,85,104)(H,86,97)(H,87,105)(H,88,100)(H,89,101)(H,90,106)(H,91,107)(H,92,102)(H,93,103)(H,94,99)(H4,75,76,80)(H4,77,78,81)/t40-,46-,48-,49-,50-,51-,52-,53-,54-,55-,58-/m0/s1"	[H]NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CC(C)C)N[H])C(=O)N[C@@H](Cc1cn([H])c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1cn([H])cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(N)=O)C(C)C	[H]NC(=O)CCC(NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CC(C)C)N[H])C(=O)NC(Cc1cn([H])c2ccccc12)C(=O)NC(C)C(=O)NC(C(=O)NCC(=O)NC(Cc1cn([H])cn1)C(=O)NC(CC(C)C)C(=O)NC(CCCC)C(N)=O)C(C)C	HBMGEBVBKMLBSB-UTHWUPJASA-N	.
PEP00092	Scrambled -CTCE	2145.522	C93H157N29O27S	944.46	2144.152442	-12.1709	150	35	33	85	"InChI=1S/C93H157N29O27S/c1-48(2)35-56(96)76(133)117-66(44-124)87(144)115-63(37-52-22-26-54(127)27-23-52)84(141)121-74(50(5)6)89(146)113-59(17-9-12-30-94)79(136)107-41-72(131)109-61(20-15-33-103-92(98)99)82(139)119-65(43-123)81(138)102-32-14-11-19-58(78(135)106-39-70(129)105-40-71(130)111-69(47-150)91(148)149)112-86(143)68(46-126)120-83(140)62(21-16-34-104-93(100)101)110-73(132)42-108-80(137)60(18-10-13-31-95)114-90(147)75(51(7)8)122-85(142)64(38-53-24-28-55(128)29-25-53)116-88(145)67(45-125)118-77(134)57(97)36-49(3)4/h22-29,48-51,56-69,74-75,123-128,150H,9-21,30-47,94-97H2,1-8H3,(H,102,138)(H,105,129)(H,106,135)(H,107,136)(H,108,137)(H,109,131)(H,110,132)(H,111,130)(H,112,143)(H,113,146)(H,114,147)(H,115,144)(H,116,145)(H,117,133)(H,118,134)(H,119,139)(H,120,140)(H,121,141)(H,122,142)(H,148,149)(H4,98,99,103)(H4,100,101,104)/t56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,74-,75-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](CO[H])NC(=O)[C@H](CC(C)C)N[H])C(C)C)C(=O)NCC(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](CO[H])C(=O)NCCCC[C@H](NC(=O)[C@H](CO[H])NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)CNC(=O)[C@H](CCCCN[H])NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](CO[H])NC(=O)[C@H](CC(C)C)N[H])C(C)C)C(=O)NCC(=O)NCC(=O)N[C@@H](CS[H])C(=O)O	[H]NCCCCC(NC(=O)C(NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(CO[H])NC(=O)C(CC(C)C)N[H])C(C)C)C(=O)NCC(=O)NC(CCCN=C(N)N[H])C(=O)NC(CO[H])C(=O)NCCCCC(NC(=O)C(CO[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)CNC(=O)C(CCCCN[H])NC(=O)C(NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(CO[H])NC(=O)C(CC(C)C)N[H])C(C)C)C(=O)NCC(=O)NCC(=O)NC(CS[H])C(=O)O	VSYCNCHAJLSMJR-IIMGRFODSA-N	.
PEP00093	Chlorotoxin	3996.775	C158H248N52O48S11	1622.95	3993.549139	-19.1377	269	53	63	67	"InChI=1S/C158H248N52O48S11/c1-77(2)55-96-137(239)204-105(144(246)191-95(155(257)258)30-20-49-174-158(169)170)70-264-262-68-103-130(232)176-63-115(216)175-64-116(217)182-86(25-12-15-44-159)127(229)177-65-117(218)183-87(28-18-47-172-156(165)166)128(230)178-66-118(219)184-88(26-13-16-45-160)132(234)201-107-72-267-269-75-110-148(250)194-98(56-81-23-10-9-11-24-81)142(244)207-124(80(5)212)153(255)208-123(79(4)211)152(254)198-102(61-122(225)226)140(242)195-99(58-83-62-171-76-180-83)138(240)187-91(37-39-113(163)214)135(237)188-93(42-53-260-7)131(233)181-78(3)125(227)185-90(29-19-48-173-157(167)168)133(235)186-89(27-14-17-46-161)134(236)202-108(73-266-265-71-106(145(247)192-96)203-136(238)92(38-40-114(164)215)189-150(252)111-31-21-50-209(111)119(220)67-179-129(231)97(193-146(107)248)57-82-33-35-84(213)36-34-82)147(249)197-100(59-120(221)222)139(241)196-101(60-121(223)224)141(243)205-109(149(251)200-103)74-268-263-69-104(199-126(228)85(162)41-52-259-6)143(245)190-94(43-54-261-8)154(256)210-51-22-32-112(210)151(253)206-110/h9-11,23-24,33-36,62,76-80,85-112,123-124,211-213H,12-22,25-32,37-61,63-75,159-162H2,1-8H3,(H2,163,214)(H2,164,215)(H,171,180)(H,175,216)(H,176,232)(H,177,229)(H,178,230)(H,179,231)(H,181,233)(H,182,217)(H,183,218)(H,184,219)(H,185,227)(H,186,235)(H,187,240)(H,188,237)(H,189,252)(H,190,245)(H,191,246)(H,192,247)(H,193,248)(H,194,250)(H,195,242)(H,196,241)(H,197,249)(H,198,254)(H,199,228)(H,200,251)(H,201,234)(H,202,236)(H,203,238)(H,204,239)(H,205,243)(H,206,253)(H,207,244)(H,208,255)(H,221,222)(H,223,224)(H,225,226)(H,257,258)(H4,165,166,172)(H4,167,168,173)(H4,169,170,174)/t78-,79+,80+,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,123-,124-/m0/s1"	[H]NCCCC[C@@H]1NC(=O)CNC(=O)CNC(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CSSC[C@@H]4NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)N[H])NC(=O)[C@H](Cc5cn([H])cn5)NC(=O)[C@H](CC(=O)O)NC(=O)[C@]([H])([C@@H](C)O[H])NC(=O)[C@]([H])([C@@H](C)O[H])NC(=O)[C@H](Cc5ccccc5)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN[H])NC(=O)CNC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)CNC1=O)C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)N[H])C(=O)N3)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)[C@H](CCSC)N[H])CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC4=O)C(=O)N2	[H]NCCCCC1NC(=O)CNC(=O)CNC(=O)C2CSSCC(C(=O)NC(CCCN=C(N)N[H])C(=O)O)NC(=O)C(CC(C)C)NC(=O)C3CSSCC4NC(=O)C(CCCCN[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C(C)NC(=O)C(CCSC)NC(=O)C(CCC(=O)N[H])NC(=O)C(Cc5cn([H])cn5)NC(=O)C(CC(=O)O)NC(=O)C([H])(C(C)O[H])NC(=O)C([H])(C(C)O[H])NC(=O)C(Cc5ccccc5)NC(=O)C(CSSCC(NC(=O)C(CCCCN[H])NC(=O)CNC(=O)C(CCCN=C(N)N[H])NC(=O)CNC1=O)C(=O)NC(Cc1ccc(O[H])cc1)C(=O)NCC(=O)N1CCCC1C(=O)NC(CCC(=O)N[H])C(=O)N3)NC(=O)C1CCCN1C(=O)C(CCSC)NC(=O)C(NC(=O)C(CCSC)N[H])CSSCC(NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC4=O)C(=O)N2	DSHHZWDCJBIDQA-GQIQPHNSSA-N	.
PEP00094	ABD-RGDK	6863.859	C297H492N88O94S2	2937.6	6859.586544	-35.7295	481	101	100	257	"InChI=1S/C297H492N88O94S2/c1-38-155(27)238(290(474)373-188(105-145(7)8)268(452)337-157(29)241(425)333-158(30)247(431)375-202(110-150(17)18)293(477)385-101-60-73-210(385)285(469)331-126-218(402)320-123-215(399)322-128-220(404)342-204(136-387)253(437)325-124-216(400)318-121-213(397)321-127-219(403)341-203(135-386)252(436)326-125-217(401)319-122-214(398)323-129-221(405)343-206(138-389)282(466)376-207(139-390)283(467)349-172(70-57-98-315-295(308)309)249(433)327-131-222(406)340-199(117-231(419)420)276(460)359-185(294(478)479)69-49-56-97-304)383-280(464)196(114-168-120-314-142-332-168)369-270(454)190(107-147(11)12)362-260(444)175(65-45-52-93-300)352-269(453)189(106-146(9)10)360-245(429)162(34)336-257(441)183(84-88-229(415)416)358-286(470)234(151(19)20)378-225(409)133-328-250(434)181(82-86-227(411)412)357-288(472)237(154(25)26)381-292(476)240(164(36)392)384-265(449)178(68-48-55-96-303)347-242(426)159(31)334-255(439)173(63-43-50-91-298)351-275(459)198(116-212(307)396)374-291(475)239(156(28)39-2)382-279(463)192(109-149(15)16)364-262(446)180(72-59-100-317-297(312)313)350-258(442)174(64-44-51-92-299)353-272(456)195(113-167-76-80-170(394)81-77-167)367-273(457)194(111-165-61-41-40-42-62-165)368-278(462)201(119-233(423)424)371-284(468)208(140-391)377-287(471)235(152(21)22)379-226(410)134-329-251(435)193(112-166-74-78-169(393)79-75-166)366-261(445)176(66-46-53-94-301)354-277(461)200(118-232(421)422)370-271(455)191(108-148(13)14)363-263(447)184(85-89-230(417)418)356-259(443)179(71-58-99-316-296(310)311)355-274(458)197(115-211(306)395)361-246(430)163(35)339-267(451)187(104-144(5)6)372-289(473)236(153(23)24)380-264(448)177(67-47-54-95-302)346-243(427)160(32)335-256(440)182(83-87-228(413)414)348-244(428)161(33)338-266(450)186(103-143(3)4)365-281(465)205(137-388)344-223(407)132-330-254(438)209(141-480)345-224(408)130-324-248(432)171(305)90-102-481-37/h40-42,61-62,74-81,120,142-164,171-210,234-240,386-394,480H,38-39,43-60,63-73,82-119,121-141,298-305H2,1-37H3,(H2,306,395)(H2,307,396)(H,314,332)(H,318,400)(H,319,401)(H,320,402)(H,321,397)(H,322,399)(H,323,398)(H,324,432)(H,325,437)(H,326,436)(H,327,433)(H,328,434)(H,329,435)(H,330,438)(H,331,469)(H,333,425)(H,334,439)(H,335,440)(H,336,441)(H,337,452)(H,338,450)(H,339,451)(H,340,406)(H,341,403)(H,342,404)(H,343,405)(H,344,407)(H,345,408)(H,346,427)(H,347,426)(H,348,428)(H,349,467)(H,350,442)(H,351,459)(H,352,453)(H,353,456)(H,354,461)(H,355,458)(H,356,443)(H,357,472)(H,358,470)(H,359,460)(H,360,429)(H,361,430)(H,362,444)(H,363,447)(H,364,446)(H,365,465)(H,366,445)(H,367,457)(H,368,462)(H,369,454)(H,370,455)(H,371,468)(H,372,473)(H,373,474)(H,374,475)(H,375,431)(H,376,466)(H,377,471)(H,378,409)(H,379,410)(H,380,448)(H,381,476)(H,382,463)(H,383,464)(H,384,449)(H,411,412)(H,413,414)(H,415,416)(H,417,418)(H,419,420)(H,421,422)(H,423,424)(H,478,479)(H4,308,309,315)(H4,310,311,316)(H4,312,313,317)/t155-,156-,157-,158-,159-,160-,161-,162-,163-,164+,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,187-,188-,189-,190-,191-,192-,193-,194-,195-,196-,197-,198-,199-,200-,201-,202-,203-,204-,205-,206-,207-,208-,209-,210-,234-,235-,236-,237-,238-,239-,240-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CO[H])NC(=O)[C@H](CO[H])NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CO[H])NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CO[H])NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1cn([H])cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@]([H])(NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](C)NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CC(=O)N[H])NC(=O)[C@@]([H])(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO[H])NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CC(=O)N[H])NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO[H])NC(=O)CNC(=O)[C@H](CS[H])NC(=O)CNC(=O)[C@H](CCSC)N[H])C(C)C)C(C)C)[C@@H](C)CC)[C@@H](C)O[H])C(C)C)C(C)C)[C@@H](C)CC)C(=O)O	[H]NCCCCC(NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N[H])NC(=O)C(CO[H])NC(=O)C(CO[H])NC(=O)CNC(=O)CNC(=O)CNC(=O)C(CO[H])NC(=O)CNC(=O)CNC(=O)CNC(=O)C(CO[H])NC(=O)CNC(=O)CNC(=O)CNC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C([H])(NC(=O)C(Cc1cn([H])cn1)NC(=O)C(CC(C)C)NC(=O)C(CCCCN[H])NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C(NC(=O)C([H])(NC(=O)C(CCCCN[H])NC(=O)C(C)NC(=O)C(CCCCN[H])NC(=O)C(CC(=O)N[H])NC(=O)C([H])(NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCCN[H])NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)O)NC(=O)C(CO[H])NC(=O)C(NC(=O)CNC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(CCCCN[H])NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CC(=O)N[H])NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CCCCN[H])NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CO[H])NC(=O)CNC(=O)C(CS[H])NC(=O)CNC(=O)C(CCSC)N[H])C(C)C)C(C)C)C(C)CC)C(C)O[H])C(C)C)C(C)C)C(C)CC)C(=O)O	COXLXEVQIJOWNR-QPCLHCDQSA-N	.
PEP00095	ABD-RPARPAR	7212.314	C313H520N96O95S2	3072.8	7207.825152	-37.3508	506	104	103	262	"InChI=1S/C313H520N96O95S2/c1-40-163(27)248(302(497)395-199(115-153(7)8)279(474)357-165(29)251(446)353-166(30)259(454)397-212(120-158(17)18)307(502)407-109-62-78-220(407)295(490)351-135-230(426)341-132-227(423)343-137-232(428)363-214(144-411)264(459)346-133-228(424)339-130-225(421)342-136-231(427)362-213(143-410)263(458)347-134-229(425)340-131-226(422)344-138-233(429)364-216(146-413)292(487)398-217(147-414)293(488)380-195(76-60-107-337-312(329)330)306(501)409-111-64-80-222(409)296(491)360-172(36)255(450)379-194(75-59-106-336-311(327)328)305(500)408-110-63-79-221(408)297(492)361-173(37)256(451)381-196(308(503)504)77-61-108-338-313(331)332)405-290(485)207(124-178-129-333-150-352-178)391-281(476)201(117-155(11)12)384-271(466)184(69-47-53-100-316)372-280(475)200(116-154(9)10)382-257(452)170(34)356-268(463)192(91-95-240(438)439)378-298(493)244(159(19)20)400-236(432)141-348-261(456)190(89-93-238(434)435)377-300(495)247(162(25)26)403-304(499)250(174(38)416)406-276(471)187(72-50-56-103-319)368-252(447)167(31)354-266(461)182(67-45-51-98-314)371-286(481)209(126-224(322)420)396-303(498)249(164(28)41-2)404-289(484)203(119-157(15)16)386-273(468)189(74-58-105-335-310(325)326)370-269(464)183(68-46-52-99-315)373-283(478)206(123-177-83-87-180(418)88-84-177)389-284(479)205(121-175-65-43-42-44-66-175)390-288(483)211(128-243(444)445)393-294(489)218(148-415)399-299(494)245(160(21)22)401-237(433)142-349-262(457)204(122-176-81-85-179(417)86-82-176)388-272(467)185(70-48-54-101-317)374-287(482)210(127-242(442)443)392-282(477)202(118-156(13)14)385-274(469)193(92-96-241(440)441)376-270(465)188(73-57-104-334-309(323)324)375-285(480)208(125-223(321)419)383-258(453)171(35)359-278(473)198(114-152(5)6)394-301(496)246(161(23)24)402-275(470)186(71-49-55-102-318)367-253(448)168(32)355-267(462)191(90-94-239(436)437)369-254(449)169(33)358-277(472)197(113-151(3)4)387-291(486)215(145-412)365-234(430)140-350-265(460)219(149-505)366-235(431)139-345-260(455)181(320)97-112-506-39/h42-44,65-66,81-88,129,150-174,181-222,244-250,410-418,505H,40-41,45-64,67-80,89-128,130-149,314-320H2,1-39H3,(H2,321,419)(H2,322,420)(H,333,352)(H,339,424)(H,340,425)(H,341,426)(H,342,421)(H,343,423)(H,344,422)(H,345,455)(H,346,459)(H,347,458)(H,348,456)(H,349,457)(H,350,460)(H,351,490)(H,353,446)(H,354,461)(H,355,462)(H,356,463)(H,357,474)(H,358,472)(H,359,473)(H,360,491)(H,361,492)(H,362,427)(H,363,428)(H,364,429)(H,365,430)(H,366,431)(H,367,448)(H,368,447)(H,369,449)(H,370,464)(H,371,481)(H,372,475)(H,373,478)(H,374,482)(H,375,480)(H,376,465)(H,377,495)(H,378,493)(H,379,450)(H,380,488)(H,381,451)(H,382,452)(H,383,453)(H,384,466)(H,385,469)(H,386,468)(H,387,486)(H,388,467)(H,389,479)(H,390,483)(H,391,476)(H,392,477)(H,393,489)(H,394,496)(H,395,497)(H,396,498)(H,397,454)(H,398,487)(H,399,494)(H,400,432)(H,401,433)(H,402,470)(H,403,499)(H,404,484)(H,405,485)(H,406,471)(H,434,435)(H,436,437)(H,438,439)(H,440,441)(H,442,443)(H,444,445)(H,503,504)(H4,323,324,334)(H4,325,326,335)(H4,327,328,336)(H4,329,330,337)(H4,331,332,338)/t163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174+,181-,182-,183-,184-,185-,186-,187-,188-,189-,190-,191-,192-,193-,194-,195-,196-,197-,198-,199-,200-,201-,202-,203-,204-,205-,206-,207-,208-,209-,210-,211-,212-,213-,214-,215-,216-,217-,218-,219-,220-,221-,222-,244-,245-,246-,247-,248-,249-,250-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO[H])NC(=O)CNC(=O)[C@H](CS[H])NC(=O)CNC(=O)[C@H](CCSC)N[H])C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[H])C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO[H])C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@]([H])(C(=O)N[C@@H](CC(=O)N[H])C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN[H])C(=O)N[C@]([H])(C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cn([H])cn1)C(=O)N[C@]([H])(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CO[H])C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CO[H])C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CO[H])C(=O)N[C@@H](CO[H])C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)O)[C@@H](C)CC)C(C)C)C(C)C)[C@@H](C)O[H])[C@@H](C)CC)C(C)C)C(C)C	[H]NCCCCC(NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CO[H])NC(=O)CNC(=O)C(CS[H])NC(=O)CNC(=O)C(CCSC)N[H])C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CC(=O)N[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN[H])C(=O)NC(Cc1ccc(O[H])cc1)C(=O)NCC(=O)NC(C(=O)NC(CO[H])C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccc(O[H])cc1)C(=O)NC(CCCCN[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CC(C)C)C(=O)NC([H])(C(=O)NC(CC(=O)N[H])C(=O)NC(CCCCN[H])C(=O)NC(C)C(=O)NC(CCCCN[H])C(=O)NC([H])(C(=O)NC(C(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CCCCN[H])C(=O)NC(CC(C)C)C(=O)NC(Cc1cn([H])cn1)C(=O)NC([H])(C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NCC(=O)NCC(=O)NCC(=O)NC(CO[H])C(=O)NCC(=O)NCC(=O)NCC(=O)NC(CO[H])C(=O)NCC(=O)NCC(=O)NCC(=O)NC(CO[H])C(=O)NC(CO[H])C(=O)NC(CCCN=C(N)N[H])C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(CCCN=C(N)N[H])C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(CCCN=C(N)N[H])C(=O)O)C(C)CC)C(C)C)C(C)C)C(C)O[H])C(C)CC)C(C)C)C(C)C	WQJLRHCMXYGACF-MZWOGPIUSA-N	.
PEP00096	NALRDQTGLKNPVQLARAVC	2167.529	C91H159N31O28S	992.14	2166.169154	-12.4396	151	32	31	76	"InChI=1S/C91H159N31O28S/c1-40(2)32-55(108-66(128)38-104-85(145)70(48(14)123)121-79(139)54(25-27-63(95)125)112-83(143)58(37-67(129)130)116-76(136)52(22-18-30-103-91(100)101)111-82(142)57(34-42(5)6)114-72(132)45(11)105-74(134)49(93)35-64(96)126)81(141)110-50(20-15-16-28-92)77(137)117-59(36-65(97)127)88(148)122-31-19-23-61(122)84(144)120-69(44(9)10)86(146)113-53(24-26-62(94)124)78(138)115-56(33-41(3)4)80(140)107-46(12)71(131)109-51(21-17-29-102-90(98)99)75(135)106-47(13)73(133)119-68(43(7)8)87(147)118-60(39-151)89(149)150/h40-61,68-70,123,151H,15-39,92-93H2,1-14H3,(H2,94,124)(H2,95,125)(H2,96,126)(H2,97,127)(H,104,145)(H,105,134)(H,106,135)(H,107,140)(H,108,128)(H,109,131)(H,110,141)(H,111,142)(H,112,143)(H,113,146)(H,114,132)(H,115,138)(H,116,136)(H,117,137)(H,118,147)(H,119,133)(H,120,144)(H,121,139)(H,129,130)(H,149,150)(H4,98,99,102)(H4,100,101,103)/t45-,46-,47-,48+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,68-,69-,70-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@H](CCC(=O)N[H])NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)N[H])N[H])[C@@H](C)O[H])C(=O)N[C@@H](CC(=O)N[H])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)N[H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CS[H])C(=O)O)C(C)C)C(C)C	[H]NCCCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C([H])(NC(=O)C(CCC(=O)N[H])NC(=O)C(CC(=O)O)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CC(=O)N[H])N[H])C(C)O[H])C(=O)NC(CC(=O)N[H])C(=O)N1CCCC1C(=O)NC(C(=O)NC(CCC(=O)N[H])C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCCN=C(N)N[H])C(=O)NC(C)C(=O)NC(C(=O)NC(CS[H])C(=O)O)C(C)C)C(C)C	HHGCEFBWETUMSR-JGHQVEGBSA-N	.
PEP00097	A20FMDV2	2266.662	C96H168N32O29S	1021.24	2265.237568	-12.2988	158	33	32	79	"InChI=1S/C96H168N32O29S/c1-42(2)34-58(84(146)111-48(13)75(137)115-56(26-28-65(99)130)80(142)117-54(22-17-18-30-97)81(143)124-71(45(7)8)90(152)112-49(14)76(138)114-55(24-20-32-108-96(105)106)82(144)127-74(51(16)129)92(154)123-63(41-158)94(156)157)122-91(153)72(46(9)10)125-83(145)57(27-29-66(100)131)118-86(148)60(36-44(5)6)120-88(150)62(39-70(135)136)113-69(134)40-109-79(141)53(23-19-31-107-95(103)104)116-85(147)59(35-43(3)4)119-87(149)61(38-68(102)133)121-89(151)64-25-21-33-128(64)93(155)73(47(11)12)126-77(139)50(15)110-78(140)52(98)37-67(101)132/h42-64,71-74,129,158H,17-41,97-98H2,1-16H3,(H2,99,130)(H2,100,131)(H2,101,132)(H2,102,133)(H,109,141)(H,110,140)(H,111,146)(H,112,152)(H,113,134)(H,114,138)(H,115,137)(H,116,147)(H,117,142)(H,118,148)(H,119,149)(H,120,150)(H,121,151)(H,122,153)(H,123,154)(H,124,143)(H,125,145)(H,126,139)(H,127,144)(H,135,136)(H,156,157)(H4,103,104,107)(H4,105,106,108)/t48-,49-,50-,51+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,71-,72-,73-,74-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CCC(=O)N[H])NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)N[H])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N[H])NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)N[H])N[H])C(C)C)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@]([H])(C(=O)N[C@@H](CS[H])C(=O)O)[C@@H](C)O[H])C(C)C	[H]NCCCCC(NC(=O)C(CCC(=O)N[H])NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CCC(=O)N[H])NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N[H])NC(=O)C(CC(C)C)NC(=O)C(CC(=O)N[H])NC(=O)C1CCCN1C(=O)C(NC(=O)C(C)NC(=O)C(CC(=O)N[H])N[H])C(C)C)C(C)C)C(=O)NC(C(=O)NC(C)C(=O)NC(CCCN=C(N)N[H])C(=O)NC([H])(C(=O)NC(CS[H])C(=O)O)C(C)O[H])C(C)C	JNJJEBQNVFXHQE-LMZNXGBBSA-N	.
PEP00098	&alpha;v&beta;6-BP	2191.53	C93H163N33O28	1030.52	2190.234532	-12.7888	154	32	30	74	"InChI=1S/C93H163N33O28/c1-40(2)33-56(81(144)110-46(13)72(135)114-54(25-27-62(95)128)77(140)116-53(23-19-31-107-93(103)104)78(141)122-68(43(7)8)87(150)111-47(14)73(136)113-52(22-18-30-106-92(101)102)79(142)125-71(49(16)127)90(153)154)121-88(151)69(44(9)10)123-80(143)55(26-28-63(96)129)117-83(146)58(35-42(5)6)119-85(148)60(38-67(133)134)112-66(132)39-108-76(139)51(21-17-29-105-91(99)100)115-82(145)57(34-41(3)4)118-84(147)59(37-65(98)131)120-86(149)61-24-20-32-126(61)89(152)70(45(11)12)124-74(137)48(15)109-75(138)50(94)36-64(97)130/h40-61,68-71,127H,17-39,94H2,1-16H3,(H2,95,128)(H2,96,129)(H2,97,130)(H2,98,131)(H,108,139)(H,109,138)(H,110,144)(H,111,150)(H,112,132)(H,113,136)(H,114,135)(H,115,145)(H,116,140)(H,117,146)(H,118,147)(H,119,148)(H,120,149)(H,121,151)(H,122,141)(H,123,143)(H,124,137)(H,125,142)(H,133,134)(H,153,154)(H4,99,100,105)(H4,101,102,106)(H4,103,104,107)/t46-,47-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,68-,69-,70-,71-/m0/s1"	[H]NC(=O)CC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)N[H])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N[H])NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)N[H])N[H])C(C)C)C(C)C)C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@]([H])(C(=O)O)[C@@H](C)O[H])C(C)C	[H]NC(=O)CCC(NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CCC(=O)N[H])NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N[H])NC(=O)C(CC(C)C)NC(=O)C(CC(=O)N[H])NC(=O)C1CCCN1C(=O)C(NC(=O)C(C)NC(=O)C(CC(=O)N[H])N[H])C(C)C)C(C)C)C(=O)NC(CCCN=C(N)N[H])C(=O)NC(C(=O)NC(C)C(=O)NC(CCCN=C(N)N[H])C(=O)NC([H])(C(=O)O)C(C)O[H])C(C)C	TXSIUNXQNBOQGC-OXSXEHGKSA-N	.
PEP00099	p6	832.939	C32H56N12O12S	425.8	832.3861362	-5.5947	57	13	13	29	"InChI=1S/C32H56N12O12S/c1-14(2)10-19(43-30(54)21(13-24(47)48)42-25(49)16(33)11-22(34)45)28(52)41-18(7-9-57-4)27(51)44-20(12-23(35)46)29(53)40-17(6-5-8-38-32(36)37)26(50)39-15(3)31(55)56/h14-21H,5-13,33H2,1-4H3,(H2,34,45)(H2,35,46)(H,39,50)(H,40,53)(H,41,52)(H,42,49)(H,43,54)(H,44,51)(H,47,48)(H,55,56)(H4,36,37,38)/t15-,16-,17-,18-,19-,20-,21-/m0/s1"	[H]NC(=O)C[C@H](N[H])C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)N[H])C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](C)C(=O)O	[H]NC(=O)CC(N[H])C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CCSC)C(=O)NC(CC(=O)N[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(C)C(=O)O	LTQKWXOKPROJTI-BPSSIEEOSA-N	.
PEP00100	Cyclic NGR	602.631	C21H34N10O9S	319.39	602.2230937	-6.4502	41	10	10	11	"InChI=1S/C21H34N10O9S/c22-13(32)4-11-18(38)28-6-15(34)29-10(2-1-3-25-21(23)24)20(40)31-12(8-41-9-16(35)30-11)19(39)27-5-14(33)26-7-17(36)37/h10-12H,1-9H2,(H2,22,32)(H,26,33)(H,27,39)(H,28,38)(H,29,34)(H,30,35)(H,31,40)(H,36,37)(H4,23,24,25)/t10-,11-,12-/m0/s1"	[H]NC(=O)C[C@@H]1NC(=O)CSC[C@@H](C(=O)NCC(=O)NCC(=O)O)NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)CNC1=O	[H]NC(=O)CC1NC(=O)CSCC(C(=O)NCC(=O)NCC(=O)O)NC(=O)C(CCCN=C(N)N[H])NC(=O)CNC1=O	PUXURIVEZMOYLP-SRVKXCTJSA-N	.
PEP00101	SMAC-P1 S2	3147.672	C147H216N42O34S	1239.94	3145.618483	-9.9607	224	41	40	103	"InChI=1S/C147H216N42O34S/c1-10-79(6)121(187-140(217)111-45-30-60-189(111)144(221)119(78(4)5)186-122(199)81(8)150)142(219)168-82(9)123(200)172-94(40-23-26-55-160-141(218)120-80(7)52-58-159-120)128(205)173-95(39-21-24-53-148)130(207)185-109(76-224)126(203)167-73-117(197)170-100(62-83-31-13-11-14-32-83)132(209)177-99(61-77(2)3)124(201)165-74-118(198)171-107(69-115(154)195)143(220)188-59-29-44-110(188)139(216)183-106(68-114(153)194)137(214)180-103(65-86-70-163-91-37-19-17-35-89(86)91)125(202)166-72-116(196)169-93(42-27-56-161-146(155)156)127(204)184-108(75-190)138(215)181-104(66-87-71-164-92-38-20-18-36-90(87)92)135(212)179-102(64-85-46-48-88(191)49-47-85)134(211)182-105(67-113(152)193)136(213)175-97(50-51-112(151)192)131(208)174-96(43-28-57-162-147(157)158)129(206)178-101(63-84-33-15-12-16-34-84)133(210)176-98(145(222)223)41-22-25-54-149/h11-20,31-38,46-49,58,70-71,77-82,93-111,119-121,163-164,190-191,224H,10,21-30,39-45,50-57,59-69,72-76,148-150H2,1-9H3,(H2,151,192)(H2,152,193)(H2,153,194)(H2,154,195)(H,160,218)(H,165,201)(H,166,202)(H,167,203)(H,168,219)(H,169,196)(H,170,197)(H,171,198)(H,172,200)(H,173,205)(H,174,208)(H,175,213)(H,176,210)(H,177,209)(H,178,206)(H,179,212)(H,180,214)(H,181,215)(H,182,211)(H,183,216)(H,184,204)(H,185,207)(H,186,199)(H,187,217)(H,222,223)(H4,155,156,161)(H4,157,158,162)/t79-,80+,81-,82-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,119-,120+,121-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CCC(=O)N[H])NC(=O)[C@H](CC(=O)N[H])NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](CO[H])NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)CNC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](CC(=O)N[H])NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)N[H])NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CS[H])NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CCCCNC(=O)[C@@H]1N=CC[C@H]1C)NC(=O)[C@H](C)NC(=O)[C@@]([H])(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N[H])C(C)C)[C@@H](C)CC)C(=O)O	[H]NCCCCC(NC(=O)C(Cc1ccccc1)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCC(=O)N[H])NC(=O)C(CC(=O)N[H])NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(CO[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)CNC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(CC(=O)N[H])NC(=O)C1CCCN1C(=O)C(CC(=O)N[H])NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(CS[H])NC(=O)C(CCCCN[H])NC(=O)C(CCCCNC(=O)C1N=CCC1C)NC(=O)C(C)NC(=O)C([H])(NC(=O)C1CCCN1C(=O)C(NC(=O)C(C)N[H])C(C)C)C(C)CC)C(=O)O	LGCIYTVXRGOJRH-DIIWKGMLSA-N	.
PEP00102	SMAC-P1 S1	3147.672	C147H216N42O34S	1239.94	3145.618483	-9.9607	224	41	40	103	"InChI=1S/C147H216N42O34S/c1-10-79(6)121(187-140(217)111-45-30-60-189(111)144(221)119(78(4)5)186-122(199)81(8)150)142(219)168-82(9)123(200)172-95(40-23-26-55-160-141(218)120-80(7)52-58-159-120)128(205)173-93(39-21-24-53-148)124(201)165-73-117(197)170-100(62-83-31-13-11-14-32-83)131(208)177-99(61-77(2)3)125(202)166-74-118(198)171-109(76-224)138(215)184-107(69-115(154)195)143(220)188-59-29-44-110(188)139(216)183-106(68-114(153)194)136(213)180-103(65-86-70-163-91-37-19-17-35-89(86)91)126(203)167-72-116(196)169-94(42-27-56-161-146(155)156)127(204)185-108(75-190)137(214)181-104(66-87-71-164-92-38-20-18-36-90(87)92)134(211)179-102(64-85-46-48-88(191)49-47-85)133(210)182-105(67-113(152)193)135(212)175-97(50-51-112(151)192)130(207)174-96(43-28-57-162-147(157)158)129(206)178-101(63-84-33-15-12-16-34-84)132(209)176-98(145(222)223)41-22-25-54-149/h11-20,31-38,46-49,58,70-71,77-82,93-111,119-121,163-164,190-191,224H,10,21-30,39-45,50-57,59-69,72-76,148-150H2,1-9H3,(H2,151,192)(H2,152,193)(H2,153,194)(H2,154,195)(H,160,218)(H,165,201)(H,166,202)(H,167,203)(H,168,219)(H,169,196)(H,170,197)(H,171,198)(H,172,200)(H,173,205)(H,174,207)(H,175,212)(H,176,209)(H,177,208)(H,178,206)(H,179,211)(H,180,213)(H,181,214)(H,182,210)(H,183,216)(H,184,215)(H,185,204)(H,186,199)(H,187,217)(H,222,223)(H4,155,156,161)(H4,157,158,162)/t79-,80+,81-,82-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,119-,120+,121-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CCC(=O)N[H])NC(=O)[C@H](CC(=O)N[H])NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](CO[H])NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)CNC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](CC(=O)N[H])NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)N[H])NC(=O)[C@H](CS[H])NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CCCCNC(=O)[C@@H]1N=CC[C@H]1C)NC(=O)[C@H](C)NC(=O)[C@@]([H])(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N[H])C(C)C)[C@@H](C)CC)C(=O)O	[H]NCCCCC(NC(=O)C(Cc1ccccc1)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCC(=O)N[H])NC(=O)C(CC(=O)N[H])NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(CO[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)CNC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(CC(=O)N[H])NC(=O)C1CCCN1C(=O)C(CC(=O)N[H])NC(=O)C(CS[H])NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(CCCCN[H])NC(=O)C(CCCCNC(=O)C1N=CCC1C)NC(=O)C(C)NC(=O)C([H])(NC(=O)C1CCCN1C(=O)C(NC(=O)C(C)N[H])C(C)C)C(C)CC)C(=O)O	IWGZIZXCNVNBBL-DIIWKGMLSA-N	.
PEP00103	SMAC-P1 S3	3044.526	C144H211N41O33	1210.84	3042.609298	-9.3753	218	39	38	99	"InChI=1S/C144H211N41O33/c1-10-78(6)119(183-137(212)109-45-30-60-185(109)141(216)117(77(4)5)182-120(195)80(8)147)139(214)165-81(9)121(196)169-94(40-23-26-55-157-138(213)118-79(7)52-58-156-118)126(201)170-92(39-21-24-53-145)122(197)162-73-115(193)167-99(62-82-31-13-11-14-32-82)129(204)174-98(61-76(2)3)123(198)163-74-116(194)168-106(69-113(151)191)140(215)184-59-29-44-108(184)136(211)180-105(68-112(150)190)134(209)177-102(65-85-70-160-90-37-19-17-35-88(85)90)124(199)164-72-114(192)166-93(42-27-56-158-143(152)153)125(200)181-107(75-186)135(210)178-103(66-86-71-161-91-38-20-18-36-89(86)91)132(207)176-101(64-84-46-48-87(187)49-47-84)131(206)179-104(67-111(149)189)133(208)172-96(50-51-110(148)188)128(203)171-95(43-28-57-159-144(154)155)127(202)175-100(63-83-33-15-12-16-34-83)130(205)173-97(142(217)218)41-22-25-54-146/h11-20,31-38,46-49,58,70-71,76-81,92-109,117-119,160-161,186-187H,10,21-30,39-45,50-57,59-69,72-75,145-147H2,1-9H3,(H2,148,188)(H2,149,189)(H2,150,190)(H2,151,191)(H,157,213)(H,162,197)(H,163,198)(H,164,199)(H,165,214)(H,166,192)(H,167,193)(H,168,194)(H,169,196)(H,170,201)(H,171,203)(H,172,208)(H,173,205)(H,174,204)(H,175,202)(H,176,207)(H,177,209)(H,178,210)(H,179,206)(H,180,211)(H,181,200)(H,182,195)(H,183,212)(H,217,218)(H4,152,153,158)(H4,154,155,159)/t78-,79+,80-,81-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,117-,118+,119-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CCC(=O)N[H])NC(=O)[C@H](CC(=O)N[H])NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](CO[H])NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)CNC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](CC(=O)N[H])NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)N[H])NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CCCCNC(=O)[C@@H]1N=CC[C@H]1C)NC(=O)[C@H](C)NC(=O)[C@@]([H])(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N[H])C(C)C)[C@@H](C)CC)C(=O)O	[H]NCCCCC(NC(=O)C(Cc1ccccc1)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCC(=O)N[H])NC(=O)C(CC(=O)N[H])NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(CO[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)CNC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(CC(=O)N[H])NC(=O)C1CCCN1C(=O)C(CC(=O)N[H])NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(CCCCN[H])NC(=O)C(CCCCNC(=O)C1N=CCC1C)NC(=O)C(C)NC(=O)C([H])(NC(=O)C1CCCN1C(=O)C(NC(=O)C(C)N[H])C(C)C)C(C)CC)C(=O)O	BADRAWKCGDOAGC-WAAKMODVSA-N	.
PEP00104	ALOS4	886.02	C36H55N9O13S2	345.81	885.3360748	-4.7572	60	12	15	12	"InChI=1S/C36H55N9O13S2/c1-18(2)10-22-31(51)42-23(11-20-8-6-5-7-9-20)32(52)45-27(36(56)57)17-60-59-16-21(37)30(50)43-25(14-47)34(54)44-24(13-46)33(53)39-19(3)29(49)38-12-28(48)40-26(15-58-4)35(55)41-22/h5-9,18-19,21-27,46-47H,10-17,37H2,1-4H3,(H,38,49)(H,39,53)(H,40,48)(H,41,55)(H,42,51)(H,43,50)(H,44,54)(H,45,52)(H,56,57)/t19-,21-,22-,23-,24-,25-,26-,27-/m0/s1"	[H]N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](COC)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO[H])NC(=O)[C@H](CO[H])NC1=O	[H]NC1CSSCC(C(=O)O)NC(=O)C(Cc2ccccc2)NC(=O)C(CC(C)C)NC(=O)C(COC)NC(=O)CNC(=O)C(C)NC(=O)C(CO[H])NC(=O)C(CO[H])NC1=O	SKIXXZGYOCPTMJ-FNRPHRCSSA-N	.
PEP00105	Octreotide	1019.261	C49H66N10O10S2	332.22	1018.44048	-0.8054	71	13	14	17	"InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28-,29-,34-,36+,37+,38-,39-,40+,41+,42+/m1/s1"	C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O	CC(O)C(CO)NC(=O)C1CSSCC(NC(=O)C(N)Cc2ccccc2)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)N1	DEQANNDTNATYII-OULOTJBUSA-N	.
PEP00106	3-Nal-Octreotide	1069.321	C53H68N10O10S2	332.22	1068.45613	0.3478	75	13	14	17	"InChI=1S/C53H68N10O10S2/c1-30(65)43(27-64)60-52(72)45-29-75-74-28-44(61-47(67)38(55)23-32-13-4-3-5-14-32)51(71)59-41(24-34-17-12-16-33-15-6-7-18-36(33)34)50(70)58-42(25-35-26-56-39-20-9-8-19-37(35)39)49(69)57-40(21-10-11-22-54)48(68)63-46(31(2)66)53(73)62-45/h3-9,12-20,26,30-31,38,40-46,56,64-66H,10-11,21-25,27-29,54-55H2,1-2H3,(H,57,69)(H,58,70)(H,59,71)(H,60,72)(H,61,67)(H,62,73)(H,63,68)/t30-,31-,38-,40+,41+,42-,43-,44+,45+,46+/m1/s1"	C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O	CC(O)C(CO)NC(=O)C1CSSCC(NC(=O)C(N)Cc2ccccc2)C(=O)NC(Cc2cccc3ccccc23)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)N1	OTPJDZHUIQXBQT-UPUQAJFOSA-N	.
PEP00107	"[Tyr3,Cys8] Octreotate amide"	1050.3	C48H63N11O10S3	355.08	1049.39215	-1.0578	72	14	15	17	"InChI=1S/C48H63N11O10S3/c1-26(60)40-48(69)58-39(47(68)56-37(23-70)41(51)62)25-72-71-24-38(57-42(63)32(50)19-27-9-3-2-4-10-27)46(67)54-35(20-28-14-16-30(61)17-15-28)44(65)55-36(21-29-22-52-33-12-6-5-11-31(29)33)45(66)53-34(43(64)59-40)13-7-8-18-49/h2-6,9-12,14-17,22,26,32,34-40,52,60-61,70H,7-8,13,18-21,23-25,49-50H2,1H3,(H2,51,62)(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t26-,32-,34+,35+,36-,37+,38+,39+,40+/m1/s1"	C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC[C@@H](C(=O)N[C@@H](CS)C(N)=O)NC1=O	CC(O)C1NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(N)Cc2ccccc2)CSSCC(C(=O)NC(CS)C(N)=O)NC1=O	QZHOOLOXUURHNN-AQLQTPEZSA-N	.
PEP00108	3-Tyr-Octreotide	1035.26	C49H66N10O11S2	352.45	1034.435395	-1.0998	72	14	15	22	"InChI=1S/C49H66N10O11S2/c1-27(61)39(24-60)56-48(69)41-26-72-71-25-40(57-43(64)34(51)20-29-10-4-3-5-11-29)47(68)54-37(21-30-15-17-32(63)18-16-30)45(66)55-38(22-31-23-52-35-13-7-6-12-33(31)35)46(67)53-36(14-8-9-19-50)44(65)59-42(28(2)62)49(70)58-41/h3-7,10-13,15-18,23,27-28,34,36-42,52,60-63H,8-9,14,19-22,24-26,50-51H2,1-2H3,(H,53,67)(H,54,68)(H,55,66)(H,56,69)(H,57,64)(H,58,70)(H,59,65)/t27-,28-,34+,36+,37+,38-,39-,40?,41+,42+/m1/s1"	[H]NCCCC[C@@H]1NC(=O)[C@@H](Cc2cn([H])c3ccccc23)NC(=O)[C@H](Cc2ccc(O[H])cc2)NC(=O)C(NC(=O)[C@H](Cc2ccccc2)N[H])CSSC[C@@H](C(=O)N[C@]([H])(CO)[C@@H](C)O[H])NC(=O)[C@]([H])([C@@H](C)O[H])NC1=O	[H]NCCCCC1NC(=O)C(Cc2cn([H])c3ccccc23)NC(=O)C(Cc2ccc(O[H])cc2)NC(=O)C(NC(=O)C(Cc2ccccc2)N[H])CSSCC(C(=O)NC([H])(CO)C(C)O[H])NC(=O)C([H])(C(C)O[H])NC1=O	LHCIROHUTQLZCZ-FFFGXVRSSA-N	.
PEP00109	3-Tyr-Octreotate	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00110	B6	1081.317	C45H80N18O11S	487.57	1080.597466	-6.1134	75	17	17	42	"InChI=1S/C45H80N18O11S/c1-26(56-39(68)29(11-3-6-16-47)60-42(71)32(57-35(64)21-49)20-27-22-52-25-55-27)37(66)58-28(10-2-5-15-46)38(67)54-23-36(65)63-19-9-14-34(63)43(72)61-31(13-8-18-53-45(50)51)40(69)59-30(12-4-7-17-48)41(70)62-33(24-75)44(73)74/h22,25-26,28-34,75H,2-21,23-24,46-49H2,1H3,(H,52,55)(H,54,67)(H,56,68)(H,57,64)(H,58,66)(H,59,69)(H,60,71)(H,61,72)(H,62,70)(H,73,74)(H4,50,51,53)/t26-,28-,29-,30-,31-,32-,33-,34-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](Cc1cn([H])cn1)NC(=O)CN[H])C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](CS[H])C(=O)O	[H]NCCCCC(NC(=O)C(C)NC(=O)C(CCCCN[H])NC(=O)C(Cc1cn([H])cn1)NC(=O)CN[H])C(=O)NCC(=O)N1CCCC1C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCCCN[H])C(=O)NC(CS[H])C(=O)O	SOHHVYGLRPAIBK-KQBMMHAASA-N	.
PEP00111	PSMA I&T	582.439	C24H31IN4O5	167.77	582.1339181	1.2925	34	6	6	13	"InChI=1S/C24H31IN4O5/c25-17-12-16(9-10-21(17)30)13-18(27)22(31)29-20(14-15-6-2-1-3-7-15)23(32)28-19(24(33)34)8-4-5-11-26/h1-3,6-7,9-10,12,18-20,30H,4-5,8,11,13-14,26-27H2,(H,28,32)(H,29,31)(H,33,34)/t18-,19-,20-/m1/s1"	NCCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccc(O)c(I)c1)C(=O)O	NCCCCC(NC(=O)C(Cc1ccccc1)NC(=O)C(N)Cc1ccc(O)c(I)c1)C(=O)O	QEIOACKLIQQWIH-VAMGGRTRSA-N	.
PEP00112	GE11 peptide	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00113	Ac-NleEHfRWGK-NH<sub>2</sub>	1072.239	C51H73N15O11	439.21	1071.561398	-1.4066	77	15	13	36	"InChI=1S/C51H73N15O11/c1-2-3-15-34(53)44(70)62-37(19-20-43(68)69)47(73)66-41(25-32-27-56-29-60-32)49(75)64-39(23-30-12-5-4-6-13-30)48(74)63-36(18-11-22-57-51(54)55)46(72)65-40(24-31-26-58-35-16-8-7-14-33(31)35)45(71)59-28-42(67)61-38(50(76)77)17-9-10-21-52/h4-8,12-14,16,26-27,29,34,36-41,58H,2-3,9-11,15,17-25,28,52-53H2,1H3,(H,56,60)(H,59,71)(H,61,67)(H,62,70)(H,63,74)(H,64,75)(H,65,72)(H,66,73)(H,68,69)(H,76,77)(H4,54,55,57)/t34-,36-,37-,38-,39-,40-,41-/m0/s1"	[H]NCCCC[C@H](NC(=O)CNC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cn([H])cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCCC)C(=O)O	[H]NCCCCC(NC(=O)CNC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1cn([H])cn1)NC(=O)C(CCC(=O)O)NC(=O)C(N)CCCC)C(=O)O	OPPASPHVSXCYPC-FTZOFIEWSA-N	.
PEP00114	P1GCGCGT1	3487.014	C153H233N53O38S2	1545.46	3484.737052	-18.4451	246	53	48	122	"InChI=1S/C153H233N53O38S2/c1-4-79(2)123(144(239)194-100(33-14-17-53-156)147(242)206-60-24-40-113(206)142(237)193-98(37-21-57-175-152(168)169)131(226)189-93(31-12-15-51-154)125(220)179-73-120(217)186-102(62-82-41-45-86(209)46-42-82)140(235)204-124(80(3)208)145(240)195-101(148(243)244)38-22-58-176-153(170)171)203-134(229)96(35-19-55-173-150(164)165)185-119(216)72-182-128(223)110(77-245)188-122(219)75-183-129(224)111(78-246)187-121(218)74-180-126(221)94(32-13-16-52-155)190-135(230)103(61-81-25-6-5-7-26-81)196-132(227)97(36-20-56-174-151(166)167)191-133(228)99(49-50-114(158)211)192-138(233)107(67-116(160)213)200-136(231)104(63-83-43-47-87(210)48-44-83)197-137(232)106(65-85-70-178-92-30-11-9-28-89(85)92)199-141(236)109(76-207)202-130(225)95(34-18-54-172-149(162)163)184-118(215)71-181-127(222)105(64-84-69-177-91-29-10-8-27-88(84)91)198-139(234)108(68-117(161)214)201-143(238)112-39-23-59-205(112)146(241)90(157)66-115(159)212/h5-11,25-30,41-48,69-70,79-80,90,93-113,123-124,177-178,207-210,245-246H,4,12-24,31-40,49-68,71-78,154-157H2,1-3H3,(H2,158,211)(H2,159,212)(H2,160,213)(H2,161,214)(H,179,220)(H,180,221)(H,181,222)(H,182,223)(H,183,224)(H,184,215)(H,185,216)(H,186,217)(H,187,218)(H,188,219)(H,189,226)(H,190,230)(H,191,228)(H,192,233)(H,193,237)(H,194,239)(H,195,240)(H,196,227)(H,197,232)(H,198,234)(H,199,236)(H,200,231)(H,201,238)(H,202,225)(H,203,229)(H,204,235)(H,243,244)(H4,162,163,172)(H4,164,165,173)(H4,166,167,174)(H4,168,169,175)(H4,170,171,176)/t79-,80+,90-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,123-,124-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CCC(=O)N[H])NC(=O)[C@H](CC(=O)N[H])NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](CO[H])NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)CNC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](CC(=O)N[H])NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)N[H])N[H])C(=O)NCC(=O)N[C@@H](CS[H])C(=O)NCC(=O)N[C@@H](CS[H])C(=O)NCC(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@]([H])(C(=O)N[C@@H](CCCCN[H])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](CCCCN[H])C(=O)NCC(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)N[C@]([H])(C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)O)[C@@H](C)O[H])[C@@H](C)CC	[H]NCCCCC(NC(=O)C(Cc1ccccc1)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCC(=O)N[H])NC(=O)C(CC(=O)N[H])NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(CO[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)CNC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(CC(=O)N[H])NC(=O)C1CCCN1C(=O)C(CC(=O)N[H])N[H])C(=O)NCC(=O)NC(CS[H])C(=O)NCC(=O)NC(CS[H])C(=O)NCC(=O)NC(CCCN=C(N)N[H])C(=O)NC([H])(C(=O)NC(CCCCN[H])C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCCCN[H])C(=O)NCC(=O)NC(Cc1ccc(O[H])cc1)C(=O)NC([H])(C(=O)NC(CCCN=C(N)N[H])C(=O)O)C(C)O[H])C(C)CC	CRWUOBVYVIZFSU-OZIGZCJVSA-N	.
PEP00115	P1GCGT1	3326.816	C148H225N51O36S	1487.26	3324.706404	-16.9759	236	50	45	116	"InChI=1S/C148H225N51O36S/c1-4-77(2)119(139(230)187-98(33-14-17-53-151)142(233)199-60-24-40-110(199)137(228)186-96(37-21-57-170-147(163)164)126(217)182-91(31-12-15-51-149)121(212)174-73-117(210)180-100(62-80-41-45-84(202)46-42-80)135(226)197-120(78(3)201)140(231)188-99(143(234)235)38-22-58-171-148(165)166)196-129(220)94(35-19-55-168-145(159)160)179-116(209)72-177-124(215)108(76-236)181-118(211)74-175-122(213)92(32-13-16-52-150)183-130(221)101(61-79-25-6-5-7-26-79)189-127(218)95(36-20-56-169-146(161)162)184-128(219)97(49-50-111(153)204)185-133(224)105(67-113(155)206)193-131(222)102(63-81-43-47-85(203)48-44-81)190-132(223)104(65-83-70-173-90-30-11-9-28-87(83)90)192-136(227)107(75-200)195-125(216)93(34-18-54-167-144(157)158)178-115(208)71-176-123(214)103(64-82-69-172-89-29-10-8-27-86(82)89)191-134(225)106(68-114(156)207)194-138(229)109-39-23-59-198(109)141(232)88(152)66-112(154)205/h5-11,25-30,41-48,69-70,77-78,88,91-110,119-120,172-173,200-203,236H,4,12-24,31-40,49-68,71-76,149-152H2,1-3H3,(H2,153,204)(H2,154,205)(H2,155,206)(H2,156,207)(H,174,212)(H,175,213)(H,176,214)(H,177,215)(H,178,208)(H,179,209)(H,180,210)(H,181,211)(H,182,217)(H,183,221)(H,184,219)(H,185,224)(H,186,228)(H,187,230)(H,188,231)(H,189,218)(H,190,223)(H,191,225)(H,192,227)(H,193,222)(H,194,229)(H,195,216)(H,196,220)(H,197,226)(H,234,235)(H4,157,158,167)(H4,159,160,168)(H4,161,162,169)(H4,163,164,170)(H4,165,166,171)/t77-,78+,88-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,119-,120-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CCC(=O)N[H])NC(=O)[C@H](CC(=O)N[H])NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](CO[H])NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)CNC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](CC(=O)N[H])NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)N[H])N[H])C(=O)NCC(=O)N[C@@H](CS[H])C(=O)NCC(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@]([H])(C(=O)N[C@@H](CCCCN[H])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](CCCCN[H])C(=O)NCC(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)N[C@]([H])(C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)O)[C@@H](C)O[H])[C@@H](C)CC	[H]NCCCCC(NC(=O)C(Cc1ccccc1)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCC(=O)N[H])NC(=O)C(CC(=O)N[H])NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(CO[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)CNC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(CC(=O)N[H])NC(=O)C1CCCN1C(=O)C(CC(=O)N[H])N[H])C(=O)NCC(=O)NC(CS[H])C(=O)NCC(=O)NC(CCCN=C(N)N[H])C(=O)NC([H])(C(=O)NC(CCCCN[H])C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCCCN[H])C(=O)NCC(=O)NC(Cc1ccc(O[H])cc1)C(=O)NC([H])(C(=O)NC(CCCN=C(N)N[H])C(=O)O)C(C)O[H])C(C)CC	FSOBPZYHHFLALA-DIFMCXABSA-N	.
PEP00116	HER2-targeting peptide P1	1853.039	C85H117N27O21	832.05	1851.891734	-8.4025	133	27	24	60	"InChI=1S/C85H117N27O21/c86-29-9-8-19-57(83(132)133)104-75(124)58(33-44-13-2-1-3-14-44)105-73(122)55(21-11-31-97-85(94)95)102-74(123)56(27-28-66(88)115)103-78(127)62(38-68(90)117)109-76(125)59(34-45-23-25-48(114)26-24-45)106-77(126)61(36-47-41-99-53-18-7-5-16-50(47)53)108-80(129)64(43-113)111-72(121)54(20-10-30-96-84(92)93)101-70(119)42-100-71(120)60(35-46-40-98-52-17-6-4-15-49(46)52)107-79(128)63(39-69(91)118)110-81(130)65-22-12-32-112(65)82(131)51(87)37-67(89)116/h1-7,13-18,23-26,40-41,51,54-65,98-99,113-114H,8-12,19-22,27-39,42-43,86-87H2,(H2,88,115)(H2,89,116)(H2,90,117)(H2,91,118)(H,100,120)(H,101,119)(H,102,123)(H,103,127)(H,104,124)(H,105,122)(H,106,126)(H,107,128)(H,108,129)(H,109,125)(H,110,130)(H,111,121)(H,132,133)(H4,92,93,96)(H4,94,95,97)/t51-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CCC(=O)N[H])NC(=O)[C@H](CC(=O)N[H])NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](CO[H])NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)CNC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](CC(=O)N[H])NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)N[H])N[H])C(=O)O	[H]NCCCCC(NC(=O)C(Cc1ccccc1)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCC(=O)N[H])NC(=O)C(CC(=O)N[H])NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(CO[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)CNC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(CC(=O)N[H])NC(=O)C1CCCN1C(=O)C(CC(=O)N[H])N[H])C(=O)O	CHJDWFVYKHFCFC-HYLJGVCTSA-N	.
PEP00117	<sup>D</sup>VAP	743.82	C30H53N11O11	371.88	743.3926015	-6.2902	52	13	12	24	"InChI=1S/C30H53N11O11/c1-13(2)21(40-23(45)14(3)36-24(46)16-7-5-9-34-16)27(49)37-17(8-6-10-35-30(32)33)25(47)41-22(15(4)43)28(50)38-18(11-20(31)44)26(48)39-19(12-42)29(51)52/h13-19,21-22,34,42-43H,5-12H2,1-4H3,(H2,31,44)(H,36,46)(H,37,49)(H,38,50)(H,39,48)(H,40,45)(H,41,47)(H,51,52)(H4,32,33,35)/t14-,15-,16-,17-,18-,19-,21+,22-/m1/s1"	[H]NC(=O)C[C@@H](NC(=O)[C@]([H])(NC(=O)[C@@H](CCC/N=C(\N)N[H])NC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H]1CCCN1[H])C(C)C)[C@@H](C)O[H])C(=O)N[C@H](CO[H])C(=O)O	[H]NC(=O)CC(NC(=O)C([H])(NC(=O)C(CCCN=C(N)N[H])NC(=O)C(NC(=O)C(C)NC(=O)C1CCCN1[H])C(C)C)C(C)O[H])C(=O)NC(CO[H])C(=O)O	GXWHWXLAPQFKKX-PWQQTOIGSA-N	.
PEP00118	cLBEL	1366.539	C54H91N15O22S2	620.41	1365.590452	-7.1139	93	21	22	23	"InChI=1S/C54H91N15O22S2/c1-22(2)13-27-42(80)59-26(11-10-12-58-53(56)57)41(79)68-35(52(90)91)21-92-93-54(8,9)40(55)51(89)65-32(18-38(77)78)47(85)61-29(15-24(5)6)44(82)66-34(20-71)49(87)69-39(25(7)72)50(88)67-33(19-70)48(86)62-28(14-23(3)4)43(81)63-31(17-37(75)76)46(84)64-30(16-36(73)74)45(83)60-27/h22-35,39-40,70-72H,10-21,55H2,1-9H3,(H,59,80)(H,60,83)(H,61,85)(H,62,86)(H,63,81)(H,64,84)(H,65,89)(H,66,82)(H,67,88)(H,68,79)(H,69,87)(H,73,74)(H,75,76)(H,77,78)(H,90,91)(H4,56,57,58)/t25-,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,39+,40-/m1/s1"	[H]N/C(N)=N/CCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO[H])NC(=O)[C@]([H])([C@@H](C)O[H])NC(=O)[C@H](CO[H])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)C(C)(C)SSC[C@@H](C(=O)O)NC1=O	[H]NC(N)=NCCCC1NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CO[H])NC(=O)C([H])(C(C)O[H])NC(=O)C(CO[H])NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(N)C(C)(C)SSCC(C(=O)O)NC1=O	NLUUOMLJWISHAB-ISCCUBOJSA-N	.
PEP00119	cLABL	1197.267	C45H72N12O22S2	556.01	1196.432554	-8.1984	81	19	21	16	"InChI=1S/C45H72N12O22S2/c1-8-17(2)31-40(74)57-33(20(5)60)42(76)52-22(11-29(65)66)36(70)47-13-26(61)50-21(9-10-28(63)64)38(72)49-18(3)35(69)56-32(19(4)59)41(75)53-23(12-30(67)68)39(73)54-24(15-58)37(71)48-14-27(62)51-25(44(78)79)16-80-81-45(6,7)34(46)43(77)55-31/h17-25,31-34,58-60H,8-16,46H2,1-7H3,(H,47,70)(H,48,71)(H,49,72)(H,50,61)(H,51,62)(H,52,76)(H,53,75)(H,54,73)(H,55,77)(H,56,69)(H,57,74)(H,63,64)(H,65,66)(H,67,68)(H,78,79)/t17-,18-,19+,20+,21-,22-,23-,24-,25-,31-,32-,33-,34+/m0/s1"	[H]OC[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)[C@]([H])([C@@H](C)O[H])NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@]([H])([C@@H](C)O[H])NC(=O)[C@]([H])([C@@H](C)CC)NC(=O)[C@@H](N)C(C)(C)SSC[C@@H](C(=O)O)NC(=O)CNC1=O	[H]OCC1NC(=O)C(CC(=O)O)NC(=O)C([H])(C(C)O[H])NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C([H])(C(C)O[H])NC(=O)C([H])(C(C)CC)NC(=O)C(N)C(C)(C)SSCC(C(=O)O)NC(=O)CNC1=O	RNJRLNAFZZTPJM-QMUSQRDESA-N	.
PEP00120	Hexapeptide	554.689	C26H46N6O7	194.83	554.3427978	-0.742	39	7	7	16	"InChI=1S/C26H46N6O7/c1-7-16(6)22(26(39)29-13-20(34)35)32-24(37)18(11-14(2)3)30-19(33)12-28-25(38)21(15(4)5)31-23(36)17-9-8-10-27-17/h14-18,21-22,27H,7-13H2,1-6H3,(H,28,38)(H,29,39)(H,30,33)(H,31,36)(H,32,37)(H,34,35)/t16-,17-,18-,21-,22-/m0/s1"	[H]N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@]([H])(C(=O)NCC(=O)O)[C@@H](C)CC)C(C)C	[H]N1CCCC1C(=O)NC(C(=O)NCC(=O)NC(CC(C)C)C(=O)NC([H])(C(=O)NCC(=O)O)C(C)CC)C(C)C	BAUZUUVIDLQHIJ-SPAGYVKCSA-N	.
PEP00121	QR	1592.92	C68H125N27O17	810.5	1591.974676	-10.2647	112	28	25	71	"InChI=1S/C68H125N27O17/c69-28-6-1-14-42(85-54(100)41(74)26-27-53(75)99)55(101)89-47(19-11-33-82-66(76)77)58(104)87-44(16-3-8-30-71)57(103)90-48(20-12-34-83-67(78)79)59(105)86-43(15-2-7-29-70)56(102)88-45(17-4-9-31-72)61(107)94-51(37-96)64(110)92-49(21-13-35-84-68(80)81)60(106)93-50(36-39-22-24-40(98)25-23-39)63(109)91-46(18-5-10-32-73)62(108)95-52(38-97)65(111)112/h22-25,41-52,96-98H,1-21,26-38,69-74H2,(H2,75,99)(H,85,100)(H,86,105)(H,87,104)(H,88,102)(H,89,101)(H,90,103)(H,91,109)(H,92,110)(H,93,106)(H,94,107)(H,95,108)(H,111,112)(H4,76,77,82)(H4,78,79,83)(H4,80,81,84)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CO[H])NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CCC(=O)N[H])N[H])C(=O)N[C@@H](CO[H])C(=O)O	[H]NCCCCC(NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CO[H])NC(=O)C(CCCCN[H])NC(=O)C(CCCCN[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCCN[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCCN[H])NC(=O)C(CCC(=O)N[H])N[H])C(=O)NC(CO[H])C(=O)O	ZKDMVFKKUCQMJO-SVENNQHVSA-N	.
PEP00122	c(RGDfK)	603.681	C27H41N9O7	273.22	603.3128947	-3.0446	43	9	8	13	"InChI=1S/C27H41N9O7/c28-11-5-4-9-18-24(41)34-17(10-6-12-31-27(29)30)23(40)32-15-21(37)33-20(14-22(38)39)26(43)36-19(25(42)35-18)13-16-7-2-1-3-8-16/h1-3,7-8,17-20H,4-6,9-15,28H2,(H,32,40)(H,33,37)(H,34,41)(H,35,42)(H,36,43)(H,38,39)(H4,29,30,31)/t17-,18-,19-,20-/m0/s1"	[H]NCCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCC/N=C(\N)N[H])NC1=O	[H]NCCCCC1NC(=O)C(Cc2ccccc2)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N[H])NC1=O	NVHPXYIRNJFKTE-MUGJNUQGSA-N	.
PEP00123	RGDKLAK	768.918	C33H60N12O9	357.44	768.4606215	-4.1227	54	12	11	18	"InChI=1S/C33H60N12O9/c1-18(2)15-23-31(53)40-19(3)27(49)42-21(9-4-6-12-34)29(51)43-20(11-8-14-38-33(36)37)28(50)39-17-25(46)41-24(16-26(47)48)32(54)44-22(30(52)45-23)10-5-7-13-35/h18-24H,4-17,34-35H2,1-3H3,(H,39,50)(H,40,53)(H,41,46)(H,42,49)(H,43,51)(H,44,54)(H,45,52)(H,47,48)(H4,36,37,38)/t19-,20-,21-,22-,23-,24-/m0/s1"	[H]NCCCC[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCC/N=C(\N)N[H])NC1=O	[H]NCCCCC1NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CCCCN[H])NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N[H])NC1=O	SIEBFGSFCKANAJ-BTNSXGMBSA-N	.
PEP00124	c(RGDyK)	619.68	C27H41N9O8	290.95	619.3078093	-3.12933	44	11	9	12	"InChI=1S/C27H41N9O8/c28-10-2-1-4-18-24(42)34-17(5-3-11-31-27(29)30)23(41)32-14-21(38)33-20(13-22(39)40)26(44)36-19(25(43)35-18)12-15-6-8-16(37)9-7-15/h6-9,17-20,37H,1-5,10-14,28H2,(H,32,41)(H,33,38)(H,34,42)(H,35,43)(H,36,44)(H,39,40)(H4,29,30,31)/t17-,18-,19+,20-/m0/s1"	N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O	N=C(N)NCCCC1NC(=O)C(CCCCN)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CC(=O)O)NC(=O)CNC1=O	LAROZEWEPNAWMD-HAGHYFMRSA-N	.
PEP00125	RLNVGGTYFLTTRQ	1625.853	C72H116N22O21	737.52	1624.868539	-8.7068	115	25	23	57	"InChI=1S/C72H116N22O21/c1-34(2)27-46(86-59(103)43(73)17-13-25-80-71(76)77)61(105)89-50(31-52(75)100)65(109)92-55(36(5)6)66(110)83-32-53(101)82-33-54(102)91-56(37(7)95)67(111)90-49(30-41-19-21-42(98)22-20-41)63(107)88-48(29-40-15-11-10-12-16-40)62(106)87-47(28-35(3)4)64(108)93-58(39(9)97)69(113)94-57(38(8)96)68(112)84-44(18-14-26-81-72(78)79)60(104)85-45(70(114)115)23-24-51(74)99/h10-12,15-16,19-22,34-39,43-50,55-58,95-98H,13-14,17-18,23-33,73H2,1-9H3,(H2,74,99)(H2,75,100)(H,82,101)(H,83,110)(H,84,112)(H,85,104)(H,86,103)(H,87,106)(H,88,107)(H,89,105)(H,90,111)(H,91,102)(H,92,109)(H,93,108)(H,94,113)(H,114,115)(H4,76,77,80)(H4,78,79,81)/t37-,38-,39-,43+,44+,45+,46+,47+,48+,49+,50+,55+,56+,57+,58+/m1/s1"	[H]NC(=O)CC[C@H](NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@@]([H])(NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(=O)N[H])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC/N=C(/N)N[H])N[H])C(C)C)[C@@H](C)O[H])[C@@H](C)O[H])[C@@H](C)O[H])C(=O)O	[H]NC(=O)CCC(NC(=O)C(CCCN=C(N)N[H])NC(=O)C([H])(NC(=O)C([H])(NC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C([H])(NC(=O)CNC(=O)CNC(=O)C(NC(=O)C(CC(=O)N[H])NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N[H])N[H])C(C)C)C(C)O[H])C(C)O[H])C(C)O[H])C(=O)O	PDUZOONMKZJSMF-DOFDDLPJSA-N	.
PEP00126	RNWELRLK	1114.321	C50H83N17O12	518.02	1113.640711	-3.4155	79	17	14	40	"InChI=1S/C50H83N17O12/c1-26(2)21-35(44(74)61-32(15-10-20-59-50(56)57)42(72)65-36(22-27(3)4)45(75)63-34(48(78)79)14-7-8-18-51)66-43(73)33(16-17-40(69)70)62-46(76)37(23-28-25-60-31-13-6-5-11-29(28)31)67-47(77)38(24-39(53)68)64-41(71)30(52)12-9-19-58-49(54)55/h5-6,11,13,25-27,30,32-38,60H,7-10,12,14-24,51-52H2,1-4H3,(H2,53,68)(H,61,74)(H,62,76)(H,63,75)(H,64,71)(H,65,72)(H,66,73)(H,67,77)(H,69,70)(H,78,79)(H4,54,55,58)(H4,56,57,59)/t30-,32-,33-,34-,35-,36-,37-,38-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](CC(=O)N[H])NC(=O)[C@H](CCC/N=C(/N)N[H])N[H])C(=O)O	[H]NCCCCC(NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(CC(=O)N[H])NC(=O)C(CCCN=C(N)N[H])N[H])C(=O)O	LKWNYHMODAEQJB-RRFBFTPKSA-N	.
PEP00127	c(RPQfK)	643.746	C30H45N9O7	264.43	643.3441948	-2.1698	46	8	8	12	"InChI=1S/C30H45N9O7/c31-13-5-4-10-19-25(42)36-20(11-6-14-34-30(32)33)29(46)39-15-7-12-23(39)28(45)38-22(17-24(40)41)27(44)37-21(26(43)35-19)16-18-8-2-1-3-9-18/h1-3,8-9,19-23H,4-7,10-17,31H2,(H,35,43)(H,36,42)(H,37,44)(H,38,45)(H,40,41)(H4,32,33,34)/t19-,20-,21+,22-,23?/m0/s1"	[H]N/C(N)=N/CCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)C2CCCN2C1=O	[H]NC(N)=NCCCC1NC(=O)C(CCCCN)NC(=O)C(Cc2ccccc2)NC(=O)C(CC(=O)O)NC(=O)C2CCCN2C1=O	ISXOIHSKTMJRON-DRSFHUHJSA-N	.
PEP00128	Penetratin	2246.773	C104H168N34O20S	957.95	2245.289485	-5.7105	159	32	28	85	"InChI=1S/C104H168N34O20S/c1-6-58(3)84(138-94(150)74(40-42-82(111)140)124-86(142)65(109)30-23-48-119-102(113)114)99(155)131-70(35-17-21-46-107)93(149)137-85(59(4)7-2)100(156)136-79(54-62-57-123-67-32-14-12-29-64(62)67)97(153)133-77(52-60-26-9-8-10-27-60)95(151)129-73(39-41-81(110)139)91(147)135-80(55-83(112)141)98(154)128-72(38-25-50-121-104(117)118)87(143)126-71(37-24-49-120-103(115)116)88(144)130-75(43-51-159-5)92(148)125-69(34-16-20-45-106)90(146)134-78(53-61-56-122-66-31-13-11-28-63(61)66)96(152)127-68(33-15-19-44-105)89(145)132-76(101(157)158)36-18-22-47-108/h8-14,26-29,31-32,56-59,65,68-80,84-85,122-123H,6-7,15-25,30,33-55,105-109H2,1-5H3,(H2,110,139)(H2,111,140)(H2,112,141)(H,124,142)(H,125,148)(H,126,143)(H,127,152)(H,128,154)(H,129,151)(H,130,144)(H,131,155)(H,132,145)(H,133,153)(H,134,146)(H,135,147)(H,136,156)(H,137,149)(H,138,150)(H,157,158)(H4,113,114,119)(H4,115,116,120)(H4,117,118,121)/t58-,59-,65-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,84-,85-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CC(=O)N[H])NC(=O)[C@H](CCC(=O)N[H])NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@@]([H])(NC(=O)[C@H](CCCCN[H])NC(=O)[C@@]([H])(NC(=O)[C@H](CCC(=O)N[H])NC(=O)[C@H](CCC/N=C(\N)N[H])N[H])[C@@H](C)CC)[C@@H](C)CC)C(=O)O	[H]NCCCCC(NC(=O)C(CCCCN[H])NC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(CCCCN[H])NC(=O)C(CCSC)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CC(=O)N[H])NC(=O)C(CCC(=O)N[H])NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C([H])(NC(=O)C(CCCCN[H])NC(=O)C([H])(NC(=O)C(CCC(=O)N[H])NC(=O)C(CCCN=C(N)N[H])N[H])C(C)CC)C(C)CC)C(=O)O	BHONFOAYRQZPKZ-LCLOTLQISA-N	.
PEP00129	DPT-sh2	2403.027	C105H200N42O22	1151.75	2401.582236	-10.5784	169	37	31	95	"InChI=1S/C105H200N42O22/c1-13-58(10)79(145-94(163)73(52-55(4)5)142-88(157)65(32-23-47-126-101(115)116)135-83(152)62(29-16-19-43-106)132-91(160)70(37-40-76(110)148)131-82(151)61(109)28-22-46-125-100(113)114)97(166)140-68(35-26-50-129-104(121)122)86(155)138-71(38-41-77(111)149)92(161)133-63(30-17-20-44-107)84(153)136-66(33-24-48-127-102(117)118)89(158)143-74(53-56(6)7)95(164)146-80(59(11)14-2)98(167)141-69(36-27-51-130-105(123)124)87(156)139-72(39-42-78(112)150)93(162)134-64(31-18-21-45-108)85(154)137-67(34-25-49-128-103(119)120)90(159)144-75(54-57(8)9)96(165)147-81(99(168)169)60(12)15-3/h55-75,79-81H,13-54,106-109H2,1-12H3,(H2,110,148)(H2,111,149)(H2,112,150)(H,131,151)(H,132,160)(H,133,161)(H,134,162)(H,135,152)(H,136,153)(H,137,154)(H,138,155)(H,139,156)(H,140,166)(H,141,167)(H,142,157)(H,143,158)(H,144,159)(H,145,163)(H,146,164)(H,147,165)(H,168,169)(H4,113,114,125)(H4,115,116,126)(H4,117,118,127)(H4,119,120,128)(H4,121,122,129)(H4,123,124,130)/t58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,79-,80-,81-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CCC(=O)N[H])NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@@]([H])(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CCC(=O)N[H])NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@@]([H])(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CCC(=O)N[H])NC(=O)[C@@H](N)CCC/N=C(\N)N[H])[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@]([H])(C(=O)O)[C@@H](C)CC	[H]NCCCCC(NC(=O)C(CCC(=O)N[H])NC(=O)C(N)CCCN=C(N)N[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CC(C)C)C(=O)NC([H])(C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCC(=O)N[H])C(=O)NC(CCCCN[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CC(C)C)C(=O)NC([H])(C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCC(=O)N[H])C(=O)NC(CCCCN[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CC(C)C)C(=O)NC([H])(C(=O)O)C(C)CC)C(C)CC)C(C)CC	YJILVLZMYUYUAH-CQQVTAEUSA-N	.
PEP00130	RR	330.393	C12H26N8O3	221.22	330.2127867	-3.0097	23	7	5	12	"InChI=1S/C12H26N8O3/c13-7(3-1-5-18-11(14)15)9(21)20-8(10(22)23)4-2-6-19-12(16)17/h7-8H,1-6,13H2,(H,20,21)(H,22,23)(H4,14,15,18)(H4,16,17,19)/t7-,8-/m0/s1"	[H]N/C(N)=N\CCC[C@H](NC(=O)[C@H](CCC/N=C(/N)N[H])N[H])C(=O)O	[H]NC(N)=NCCCC(NC(=O)C(CCCN=C(N)N[H])N[H])C(=O)O	OMLWNBVRVJYMBQ-YUMQZZPRSA-N	.
PEP00131	SDT7	1586.012	C73H132N24O15	688.49	1585.0304	-4.8631	112	23	21	65	"InChI=1S/C73H132N24O15/c1-8-43(5)58(69(109)95-55(71(111)112)39-42(3)4)96-57(99)41-86-60(100)45(7)87-62(102)48(26-13-17-33-74)89-66(106)53(31-32-56(79)98)93-70(110)59(44(6)9-2)97-67(107)51(29-16-20-36-77)91-63(103)49(27-14-18-34-75)90-64(104)50(28-15-19-35-76)92-68(108)54(40-46-23-11-10-12-24-46)94-65(105)52(30-22-38-85-73(82)83)88-61(101)47(78)25-21-37-84-72(80)81/h10-12,23-24,42-45,47-55,58-59H,8-9,13-22,25-41,74-78H2,1-7H3,(H2,79,98)(H,86,100)(H,87,102)(H,88,101)(H,89,106)(H,90,104)(H,91,103)(H,92,108)(H,93,110)(H,94,105)(H,95,109)(H,96,99)(H,97,107)(H,111,112)(H4,80,81,84)(H4,82,83,85)/t43-,44-,45-,47-,48-,49-,50-,51-,52-,53-,54-,55-,58-,59-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CCC(=O)N[H])NC(=O)[C@@]([H])(NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CCC/N=C(/N)N[H])N[H])[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@]([H])(C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC	[H]NCCCCC(NC(=O)C(CCC(=O)N[H])NC(=O)C([H])(NC(=O)C(CCCCN[H])NC(=O)C(CCCCN[H])NC(=O)C(CCCCN[H])NC(=O)C(Cc1ccccc1)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCN=C(N)N[H])N[H])C(C)CC)C(=O)NC(C)C(=O)NCC(=O)NC([H])(C(=O)NC(CC(C)C)C(=O)O)C(C)CC	OEPNXAZQQTVHMX-JYHVBQTMSA-N	.
PEP00132	R9	1423.716	C54H110N36O10	875.72	1422.920564	-13.2409	100	28	19	53	"InChI=1S/C54H110N36O10/c55-28(10-1-19-74-46(56)57)37(91)83-29(11-2-20-75-47(58)59)38(92)84-30(12-3-21-76-48(60)61)39(93)85-31(13-4-22-77-49(62)63)40(94)86-32(14-5-23-78-50(64)65)41(95)87-33(15-6-24-79-51(66)67)42(96)88-34(16-7-25-80-52(68)69)43(97)89-35(17-8-26-81-53(70)71)44(98)90-36(45(99)100)18-9-27-82-54(72)73/h28-36H,1-27,55H2,(H,83,91)(H,84,92)(H,85,93)(H,86,94)(H,87,95)(H,88,96)(H,89,97)(H,90,98)(H,99,100)(H4,56,57,74)(H4,58,59,75)(H4,60,61,76)(H4,62,63,77)(H4,64,65,78)(H4,66,67,79)(H4,68,69,80)(H4,70,71,81)(H4,72,73,82)/t28-,29-,30-,31-,32-,33-,34-,35-,36-/m0/s1"	[H]N/C(N)=N/CCC[C@H](NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@@H](N)CCC/N=C(\N)N[H])C(=O)O	[H]NC(N)=NCCCC(N)C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCCN=C(N)N[H])C(=O)O	XUNKPNYCNUKOAU-VXJRNSOOSA-N	.
PEP00133	RRWWRRWRR	1513.791	C69H104N30O10	729.89	1512.85517	-5.2297	109	25	16	48	"InChI=1S/C69H104N30O10/c70-43(16-7-25-83-64(71)72)55(100)92-47(20-8-26-84-65(73)74)58(103)98-54(33-39-36-91-46-19-6-3-15-42(39)46)62(107)99-53(32-38-35-90-45-18-5-2-14-41(38)45)61(106)94-48(21-9-27-85-66(75)76)56(101)93-50(23-11-29-87-68(79)80)59(104)97-52(31-37-34-89-44-17-4-1-13-40(37)44)60(105)95-49(22-10-28-86-67(77)78)57(102)96-51(63(108)109)24-12-30-88-69(81)82/h1-6,13-15,17-19,34-36,43,47-54,89-91H,7-12,16,20-33,70H2,(H,92,100)(H,93,101)(H,94,106)(H,95,105)(H,96,102)(H,97,104)(H,98,103)(H,99,107)(H,108,109)(H4,71,72,83)(H4,73,74,84)(H4,75,76,85)(H4,77,78,86)(H4,79,80,87)(H4,81,82,88)/t43-,47-,48-,49-,50-,51-,52-,53-,54-/m0/s1"	[H]N/C(N)=N\CCC[C@H](NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CCC/N=C(/N)N[H])N[H])C(=O)O	[H]NC(N)=NCCCC(NC(=O)C(CCCN=C(N)N[H])NC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCN=C(N)N[H])N[H])C(=O)O	HSUDHZFKWGYJNV-DQLRYKJGSA-N	.
PEP00134	sdhAACSf	862.876	C35H46N10O14S	376.54	862.2915672	-5.0028	60	13	14	15	"InChI=1S/C35H46N10O14S/c1-16-27(50)38-17(2)28(51)44-25(33(56)43-23(12-46)31(54)42-22(34(57)58)8-18-6-4-3-5-7-18)14-60-35(59)45-24(13-47)32(55)41-21(10-26(48)49)30(53)40-20(29(52)39-16)9-19-11-36-15-37-19/h3-7,11,15-17,20-25,46-47H,8-10,12-14H2,1-2H3,(H,36,37)(H,38,50)(H,39,52)(H,40,53)(H,41,55)(H,42,54)(H,43,56)(H,44,51)(H,45,59)(H,48,49)(H,57,58)/t16-,17-,20-,21-,22-,23-,24-,25-/m0/s1"	[H]OC[C@@H]1NC(=O)SC[C@@H](C(=O)N[C@@H](CO[H])C(=O)N[C@@H](Cc2ccccc2)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc2cn([H])cn2)NC(=O)[C@H](CC(=O)O)NC1=O	[H]OCC1NC(=O)SCC(C(=O)NC(CO[H])C(=O)NC(Cc2ccccc2)C(=O)O)NC(=O)C(C)NC(=O)C(C)NC(=O)C(Cc2cn([H])cn2)NC(=O)C(CC(=O)O)NC1=O	UCVACLNCLYKKFO-MMJFIDRCSA-N	.
PEP00135	P5	811.803	C33H49N9O15	422.09	811.3348119	-6.3443	57	14	14	26	"InChI=1S/C33H49N9O15/c1-15(44)27(42-24(47)13-37-29(53)18(34)14-43)33(57)40-19(6-9-23(35)46)30(54)38-20(7-10-25(48)49)31(55)39-21(8-11-26(50)51)32(56)41-22(28(36)52)12-16-2-4-17(45)5-3-16/h2-5,15,18-22,27,43-45H,6-14,34H2,1H3,(H2,35,46)(H2,36,52)(H,37,53)(H,38,54)(H,39,55)(H,40,57)(H,41,56)(H,42,47)(H,48,49)(H,50,51)/t15-,18+,19+,20+,21+,22+,27+/m1/s1"	[H][C@@](NC(=O)CNC(=O)[C@@H](N)CO)(C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O	[H]C(NC(=O)CNC(=O)C(N)CO)(C(=O)NC(CCC(N)=O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1ccc(O)cc1)C(N)=O)C(C)O	FRYQJZBYNQHKSY-GFLQMBOKSA-N	.
PEP00136	P6	939.978	C39H61N11O16	477.21	939.4297749	-6.7305	66	16	16	32	"InChI=1S/C39H61N11O16/c1-19(52)32(50-29(55)17-44-34(61)22(41)18-51)39(66)48-24(9-12-28(42)54)35(62)46-25(10-13-30(56)57)36(63)47-26(11-14-31(58)59)37(64)49-27(16-20-5-7-21(53)8-6-20)38(65)45-23(33(43)60)4-2-3-15-40/h5-8,19,22-27,32,51-53H,2-4,9-18,40-41H2,1H3,(H2,42,54)(H2,43,60)(H,44,61)(H,45,65)(H,46,62)(H,47,63)(H,48,66)(H,49,64)(H,50,55)(H,56,57)(H,58,59)/t19-,22+,23+,24+,25+,26+,27+,32+/m1/s1"	[H][C@@](NC(=O)CNC(=O)[C@@H](N)CO)(C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O	[H]C(NC(=O)CNC(=O)C(N)CO)(C(=O)NC(CCC(N)=O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCCN)C(N)=O)C(C)O	LJSDIGKJLJXKRS-DYSAEWIBSA-N	.
PEP00137	FAP substrate	887.898	C36H57N9O17	402.83	887.3872414	-6.4498	62	12	15	26	"InChI=1S/C36H57N9O17/c1-19(17-46)30(43-27(50)16-39-32(56)24-3-2-10-45(24)34(58)20(37)18-47)33(57)42-21(5-8-28(51)52)31(55)38-15-26(49)41-23(36(60)61)4-7-25(48)40-22(6-9-29(53)54)35(59)44-11-13-62-14-12-44/h19-24,30,46-47H,2-18,37H2,1H3,(H,38,55)(H,39,56)(H,40,48)(H,41,49)(H,42,57)(H,43,50)(H,51,52)(H,53,54)(H,60,61)/t19-,20+,21+,22?,23+,24?,30+/m1/s1"	C[C@H](CO)[C@H](NC(=O)CNC(=O)C1CCCN1C(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)NC(CCC(=O)O)C(=O)N1CCOCC1)C(=O)O	CC(CO)C(NC(=O)CNC(=O)C1CCCN1C(=O)C(N)CO)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)N1CCOCC1)C(=O)O	ZPKJKHJEKFCTGS-IDVMYTQYSA-N	.
PEP00138	Ac-SYSNleEHFRWGKPV-NH<sub>2</sub>	1605.821	C76H108N20O19	636.61	1604.809961	-3.8875	115	22	21	54	"InChI=1S/C76H108N20O19/c1-4-5-18-51(88-72(111)59(40-98)94-70(109)55(90-64(103)49(78)39-97)33-44-23-25-47(99)26-24-44)66(105)89-53(27-28-62(101)102)68(107)93-58(35-46-37-81-41-85-46)71(110)91-56(32-43-15-7-6-8-16-43)69(108)87-52(21-13-30-82-76(79)80)67(106)92-57(34-45-36-83-50-19-10-9-17-48(45)50)65(104)84-38-61(100)86-54(20-11-12-29-77)74(113)96-31-14-22-60(96)73(112)95-63(42(2)3)75(114)115/h6-10,15-17,19,23-26,36-37,41-42,49,51-60,63,83,97-99H,4-5,11-14,18,20-22,27-35,38-40,77-78H2,1-3H3,(H,81,85)(H,84,104)(H,86,100)(H,87,108)(H,88,111)(H,89,105)(H,90,103)(H,91,110)(H,92,106)(H,93,107)(H,94,109)(H,95,112)(H,101,102)(H,114,115)(H4,79,80,82)/t49-,51?,52-,53-,54-,55-,56-,57-,58-,59-,60-,63-/m0/s1"	[H]NCCCC[C@H](NC(=O)CNC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cn([H])cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)C(CCCC)NC(=O)[C@H](CO[H])NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](CO[H])N[H])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)C(C)C	[H]NCCCCC(NC(=O)CNC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1cn([H])cn1)NC(=O)C(CCC(=O)O)NC(=O)C(CCCC)NC(=O)C(CO[H])NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(CO[H])N[H])C(=O)N1CCCC1C(=O)NC(C(=O)O)C(C)C	RLJQBYDPIVYMOS-PHRSWRQMSA-N	.
PEP00139	Angiopep-2/TAT	4130.671	C179H286N66O48	1987.42	4128.196745	-25.9498	293	64	58	153	"InChI=1S/C179H286N66O48/c1-94(247)141(189)167(288)242-124(84-98-34-10-5-11-35-98)162(283)238-123(83-97-32-8-4-9-33-97)161(282)237-121(86-100-52-56-102(250)57-53-100)144(265)215-89-135(256)214-90-136(257)220-127(93-246)165(286)221-103(40-20-72-206-172(190)191)143(264)216-91-137(258)218-104(36-12-16-68-180)146(267)224-113(46-26-78-212-178(202)203)154(275)240-125(87-133(187)254)164(285)241-126(88-134(188)255)163(284)239-122(82-96-30-6-3-7-31-96)160(281)229-108(39-15-19-71-183)159(280)243-142(95(2)248)168(289)233-117(62-67-140(262)263)156(277)231-116(61-66-139(260)261)158(279)236-120(85-99-50-54-101(249)55-51-99)145(266)217-92-138(259)219-105(41-21-73-207-173(192)193)147(268)222-106(37-13-17-69-181)148(269)223-107(38-14-18-70-182)149(270)225-109(42-22-74-208-174(194)195)150(271)226-111(44-24-76-210-176(198)199)152(273)230-114(58-63-130(184)251)155(276)228-110(43-23-75-209-175(196)197)151(272)227-112(45-25-77-211-177(200)201)153(274)234-118(47-27-79-213-179(204)205)169(290)245-81-29-49-129(245)170(291)244-80-28-48-128(244)166(287)232-115(59-64-131(185)252)157(278)235-119(171(292)293)60-65-132(186)253/h3-11,30-35,50-57,94-95,103-129,141-142,246-250H,12-29,36-49,58-93,180-183,189H2,1-2H3,(H2,184,251)(H2,185,252)(H2,186,253)(H2,187,254)(H2,188,255)(H,214,256)(H,215,265)(H,216,264)(H,217,266)(H,218,258)(H,219,259)(H,220,257)(H,221,286)(H,222,268)(H,223,269)(H,224,267)(H,225,270)(H,226,271)(H,227,272)(H,228,276)(H,229,281)(H,230,273)(H,231,277)(H,232,287)(H,233,289)(H,234,274)(H,235,278)(H,236,279)(H,237,282)(H,238,283)(H,239,284)(H,240,275)(H,241,285)(H,242,288)(H,243,280)(H,260,261)(H,262,263)(H,292,293)(H4,190,191,206)(H4,192,193,207)(H4,194,195,208)(H4,196,197,209)(H4,198,199,210)(H4,200,201,211)(H4,202,203,212)(H4,204,205,213)/t94-,95-,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128+,129+,141+,142+/m1/s1"	[H]NCCCC[C@H](NC(=O)CNC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CO[H])NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]([H])(N[H])[C@@H](C)O[H])C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](CC(=O)N[H])C(=O)N[C@@H](CC(=O)N[H])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN[H])C(=O)N[C@]([H])(C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)NCC(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](CCC(=O)N[H])C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)N[H])C(=O)N[C@@H](CCC(=O)N[H])C(=O)O)[C@@H](C)O[H]	[H]NCCCCC(NC(=O)CNC(=O)C(CCCN=C(N)N[H])NC(=O)C(CO[H])NC(=O)CNC(=O)CNC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C([H])(N[H])C(C)O[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CC(=O)N[H])C(=O)NC(CC(=O)N[H])C(=O)NC(Cc1ccccc1)C(=O)NC(CCCCN[H])C(=O)NC([H])(C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1ccc(O[H])cc1)C(=O)NCC(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCCCN[H])C(=O)NC(CCCCN[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCC(=O)N[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCCN=C(N)N[H])C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(CCC(=O)N[H])C(=O)NC(CCC(=O)N[H])C(=O)O)C(C)O[H]	WPTANFPVHYMWOY-KDPNVCHYSA-N	.
PEP00140	M1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00141	M1-RGD	2467.789	C107H171N39O29	1168.72	2466.31049	-15.3524	175	38	34	87	"InChI=1S/C107H171N39O29/c1-6-56(4)85(100(172)137-66(29-18-40-125-106(118)119)91(163)144-75(54-147)97(169)134-63(27-16-38-123-104(114)115)87(159)129-52-81(154)132-74(102(174)175)49-83(156)157)145-82(155)53-130-86(158)62(26-15-37-122-103(112)113)133-92(164)68(43-55(2)3)138-93(165)70(44-58-21-9-7-10-22-58)140-95(167)73(48-78(110)151)142-96(168)72(47-77(109)150)141-90(162)65(28-17-39-124-105(116)117)135-89(161)64(25-13-14-36-108)136-98(170)76-31-20-42-146(76)101(173)67(30-19-41-126-107(120)121)131-80(153)51-127-79(152)50-128-88(160)69(46-60-32-34-61(149)35-33-60)139-94(166)71(45-59-23-11-8-12-24-59)143-99(171)84(111)57(5)148/h7-12,21-24,32-35,55-57,62-76,84-85,147-149H,6,13-20,25-31,36-54,108,111H2,1-5H3,(H2,109,150)(H2,110,151)(H,127,152)(H,128,160)(H,129,159)(H,130,158)(H,131,153)(H,132,154)(H,133,164)(H,134,169)(H,135,161)(H,136,170)(H,137,172)(H,138,165)(H,139,166)(H,140,167)(H,141,162)(H,142,168)(H,143,171)(H,144,163)(H,145,155)(H,156,157)(H,174,175)(H4,112,113,122)(H4,114,115,123)(H4,116,117,124)(H4,118,119,125)(H4,120,121,126)/t56-,57+,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,84-,85-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]([H])(N[H])[C@@H](C)O[H])C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](CC(=O)N[H])C(=O)N[C@@H](CC(=O)N[H])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)NCC(=O)N[C@]([H])(C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](CO[H])C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)CC	[H]NCCCCC(NC(=O)C1CCCN1C(=O)C(CCCN=C(N)N[H])NC(=O)CNC(=O)CNC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(Cc1ccccc1)NC(=O)C([H])(N[H])C(C)O[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CC(=O)N[H])C(=O)NC(CC(=O)N[H])C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N[H])C(=O)NCC(=O)NC([H])(C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CO[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NCC(=O)NC(CC(=O)O)C(=O)O)C(C)CC	AVLOGIQNFHIXJX-CHPYITEUSA-N	.
PEP00142	tNeslCSf	925.972	C38H55N9O16S	411.18	925.3487477	-5.316	64	14	15	20	"InChI=1S/C38H55N9O16S/c1-17(2)11-21-31(55)46-26(35(59)45-25(15-49)34(58)43-23(37(61)62)12-19-7-5-4-6-8-19)16-64-38(63)47-29(18(3)50)36(60)42-22(13-27(39)51)32(56)40-20(9-10-28(52)53)30(54)44-24(14-48)33(57)41-21/h4-8,17-18,20-26,29,48-50H,9-16H2,1-3H3,(H2,39,51)(H,40,56)(H,41,57)(H,42,60)(H,43,58)(H,44,54)(H,45,59)(H,46,55)(H,47,63)(H,52,53)(H,61,62)/t18-,20+,21+,22+,23+,24+,25+,26+,29+/m1/s1"	[H]NC(=O)C[C@@H]1NC(=O)[C@]([H])([C@@H](C)O[H])NC(=O)SC[C@@H](C(=O)N[C@@H](CO[H])C(=O)N[C@@H](Cc2ccccc2)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO[H])NC(=O)[C@H](CCC(=O)O)NC1=O	[H]NC(=O)CC1NC(=O)C([H])(C(C)O[H])NC(=O)SCC(C(=O)NC(CO[H])C(=O)NC(Cc2ccccc2)C(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CO[H])NC(=O)C(CCC(=O)O)NC1=O	FPDSDMZZLVUVSA-WAKCYKMHSA-N	.
PEP00143	E1-7	724.821	C30H52N12O9	351.23	724.3980212	-4.7163	51	12	11	25	"InChI=1S/C30H52N12O9/c1-15(2)8-19(39-23(45)12-36-22(44)11-37-28(49)24(31)16(3)4)25(46)42-21(13-43)27(48)41-20(9-17-10-34-14-38-17)26(47)40-18(29(50)51)6-5-7-35-30(32)33/h10,14-16,18-21,24,43H,5-9,11-13,31H2,1-4H3,(H,34,38)(H,36,44)(H,37,49)(H,39,45)(H,40,47)(H,41,48)(H,42,46)(H,50,51)(H4,32,33,35)/t18-,19-,20-,21-,24-/m0/s1"	[H]N/C(N)=N/CCC[C@H](NC(=O)[C@H](Cc1cn([H])cn1)NC(=O)[C@H](CO[H])NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(=O)[C@@H](N[H])C(C)C)C(=O)O	[H]NC(N)=NCCCC(NC(=O)C(Cc1cn([H])cn1)NC(=O)C(CO[H])NC(=O)C(CC(C)C)NC(=O)CNC(=O)CNC(=O)C(N[H])C(C)C)C(=O)O	JJXROHNCXAXNBC-TVJXPIDLSA-N	.
PEP00144	DPT-sh1	1510.982	C70H135N21O15	641.24	1510.044653	-2.7822	106	22	21	68	"InChI=1S/C70H135N21O15/c1-9-42(6)55(89-63(99)49(29-16-22-38-75)83-59(95)46(26-13-19-35-72)81-58(94)45(25-12-18-34-71)82-60(96)47(27-14-20-36-73)86-66(102)54(77)41(4)5)67(103)87-48(28-15-21-37-74)61(97)84-51(31-24-40-80-70(78)79)62(98)85-52(32-33-53(92)93)65(101)90-56(43(7)10-2)68(104)88-50(30-17-23-39-76)64(100)91-57(69(105)106)44(8)11-3/h41-52,54-57H,9-40,71-77H2,1-8H3,(H,81,94)(H,82,96)(H,83,95)(H,84,97)(H,85,98)(H,86,102)(H,87,103)(H,88,104)(H,89,99)(H,90,101)(H,91,100)(H,92,93)(H,105,106)(H4,78,79,80)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,54-,55-,56-,57-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CCCCN[H])NC(=O)[C@@H](N[H])C(C)C)C(=O)N[C@@H](CCCCN[H])C(=O)N[C@]([H])(C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@]([H])(C(=O)N[C@@H](CCCCN[H])C(=O)N[C@]([H])(C(=O)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC	[H]NCCCCC(NC(=O)C(CCCCN[H])NC(=O)C(CCCCN[H])NC(=O)C(N[H])C(C)C)C(=O)NC(CCCCN[H])C(=O)NC([H])(C(=O)NC(CCCCN[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCC(=O)O)C(=O)NC([H])(C(=O)NC(CCCCN[H])C(=O)NC([H])(C(=O)O)C(C)CC)C(C)CC)C(C)CC	CYZOBFMMTBQOKB-SYYWVYDKSA-N	.
PEP00145	P1	1218.47	C55H95N17O14	545.57	1217.724441	-5.55053	86	19	17	42	"InChI=1S/C55H95N17O14/c1-28(2)24-37(45(60)77)68-52(84)40(27-73)71-50(82)39(26-32-14-9-8-10-15-32)70-47(79)34(17-13-23-63-55(61)62)64-46(78)33(16-11-12-22-56)67-54(86)44(31(7)74)72-51(83)38(25-29(3)4)69-49(81)35(18-20-41(57)75)65-48(80)36(19-21-42(58)76)66-53(85)43(59)30(5)6/h8-10,14-15,28-31,33-40,43-44,73-74H,11-13,16-27,56,59H2,1-7H3,(H2,57,75)(H2,58,76)(H2,60,77)(H,64,78)(H,65,80)(H,66,85)(H,67,86)(H,68,84)(H,69,81)(H,70,79)(H,71,82)(H,72,83)(H4,61,62,63)/t31-,33+,34+,35+,36+,37+,38+,39+,40+,43+,44+/m1/s1"	[H][C@@](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)C(C)C)(C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O	[H]C(NC(=O)C(CC(C)C)NC(=O)C(CCC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(N)C(C)C)(C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccccc1)C(=O)NC(CO)C(=O)NC(CC(C)C)C(N)=O)C(C)O	XMMSNQWZVVCMPV-FMMYUHEGSA-N	.
PEP00146	P2	1346.645	C61H107N19O15	600.69	1345.819404	-5.93673	95	21	19	48	"InChI=1S/C61H107N19O15/c1-32(2)28-42(55(90)71-37(50(67)85)18-11-13-25-62)77-58(93)45(31-81)79-56(91)44(30-36-16-9-8-10-17-36)78-52(87)39(20-15-27-70-61(68)69)72-51(86)38(19-12-14-26-63)75-60(95)49(35(7)82)80-57(92)43(29-33(3)4)76-54(89)40(21-23-46(64)83)73-53(88)41(22-24-47(65)84)74-59(94)48(66)34(5)6/h8-10,16-17,32-35,37-45,48-49,81-82H,11-15,18-31,62-63,66H2,1-7H3,(H2,64,83)(H2,65,84)(H2,67,85)(H,71,90)(H,72,86)(H,73,88)(H,74,94)(H,75,95)(H,76,89)(H,77,93)(H,78,87)(H,79,91)(H,80,92)(H4,68,69,70)/t35-,37+,38+,39+,40+,41+,42+,43+,44+,45+,48+,49+/m1/s1"	[H][C@@](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)C(C)C)(C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O	[H]C(NC(=O)C(CC(C)C)NC(=O)C(CCC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(N)C(C)C)(C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccccc1)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(N)=O)C(C)O	WAFRYYJMNJZCGQ-XFLLRNPZSA-N	.
PEP00147	IDR-1018	1536.943	C71H125N25O13	656.81	1535.988869	-3.2043	109	22	17	51	"InChI=1S/C71H125N25O13/c1-14-39(11)54(65(106)92-50(33-42-34-85-44-23-17-16-22-43(42)44)60(101)87-45(24-18-28-81-68(73)74)57(98)90-48(67(108)109)27-21-31-84-71(79)80)95-59(100)47(26-20-30-83-70(77)78)89-64(105)53(38(9)10)93-56(97)41(13)86-63(104)52(37(7)8)94-66(107)55(40(12)15-2)96-61(102)49(32-35(3)4)91-58(99)46(25-19-29-82-69(75)76)88-62(103)51(72)36(5)6/h16-17,22-23,34-41,45-55,85H,14-15,18-21,24-33,72H2,1-13H3,(H,86,104)(H,87,101)(H,88,103)(H,89,105)(H,90,98)(H,91,99)(H,92,106)(H,93,97)(H,94,107)(H,95,100)(H,96,102)(H,108,109)(H4,73,74,81)(H4,75,76,82)(H4,77,78,83)(H4,79,80,84)/t39-,40-,41-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-/m0/s1"	[H]N/C(N)=N\CCC[C@H](NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@@]([H])(NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@]([H])(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@@H](N[H])C(C)C)[C@@H](C)CC)C(C)C)C(C)C)[C@@H](C)CC)C(=O)O	[H]NC(N)=NCCCC(NC(=O)C(CCCN=C(N)N[H])NC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C([H])(NC(=O)C(CCCN=C(N)N[H])NC(=O)C(NC(=O)C(C)NC(=O)C(NC(=O)C([H])(NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(N[H])C(C)C)C(C)CC)C(C)C)C(C)C)C(C)CC)C(=O)O	WGSNSTOKOBNSSK-MUOSHHONSA-N	.
PEP00148	rL-A9	1003.081	C44H66N12O15	455.62	1002.477059	-4.6511	71	15	14	31	"InChI=1S/C44H66N12O15/c1-18(2)33(54-36(62)20(5)49-38(64)25(45)14-23-17-48-26-11-9-8-10-24(23)26)41(67)50-21(6)37(63)56-35(22(7)57)43(69)52-28(15-31(47)59)40(66)55-34(19(3)4)42(68)53-29(16-32(60)61)39(65)51-27(44(70)71)12-13-30(46)58/h8-11,17-22,25,27-29,33-35,48,57H,12-16,45H2,1-7H3,(H2,46,58)(H2,47,59)(H,49,64)(H,50,67)(H,51,65)(H,52,69)(H,53,68)(H,54,62)(H,55,66)(H,56,63)(H,60,61)(H,70,71)/t20-,21-,22+,25-,27-,28-,29-,33-,34-,35-/m0/s1"	[H]NC(=O)CC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N[H])NC(=O)[C@@]([H])(NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cn([H])c2ccccc12)N[H])C(C)C)[C@@H](C)O[H])C(C)C)C(=O)O	[H]NC(=O)CCC(NC(=O)C(CC(=O)O)NC(=O)C(NC(=O)C(CC(=O)N[H])NC(=O)C([H])(NC(=O)C(C)NC(=O)C(NC(=O)C(C)NC(=O)C(Cc1cn([H])c2ccccc12)N[H])C(C)C)C(C)O[H])C(C)C)C(=O)O	KFEVXBPTHGZMLQ-OZKZYCRBSA-N	.
PEP00149	Cyclic peptide [W(WR)4K(&beta;Ala)] 	1684.001	C85H110N28O10	643.57	1682.895972	0.65008	123	28	15	30	"InChI=1S/C85H110N28O10/c86-32-12-11-27-62-72(114)109-68(38-48-43-100-58-23-7-2-18-53(48)58)78(120)105-64(29-14-34-96-83(89)90)74(116)111-70(40-50-45-102-60-25-9-4-20-55(50)60)80(122)107-66(31-16-36-98-85(93)94)76(118)113-71(41-51-46-103-61-26-10-5-21-56(51)61)81(123)108-65(30-15-35-97-84(91)92)75(117)112-69(39-49-44-101-59-24-8-3-19-54(49)59)79(121)106-63(28-13-33-95-82(87)88)73(115)110-67(77(119)104-62)37-47-42-99-57-22-6-1-17-52(47)57/h1-10,17-26,42-46,62-71,99-103H,11-16,27-41,86H2,(H,104,119)(H,105,120)(H,106,121)(H,107,122)(H,108,123)(H,109,114)(H,110,115)(H,111,116)(H,112,117)(H,113,118)(H4,87,88,95)(H4,89,90,96)(H4,91,92,97)(H4,93,94,98)/t62?,63?,64?,65?,66?,67?,68-,69?,70?,71?/m1/s1"	N=C(N)NCCCC1NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCCNC(=N)N)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCCNC(=N)N)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCCNC(=N)N)NC(=O)C(Cc2c[nH]c3ccccc23)NC1=O	N=C(N)NCCCC1NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCCNC(=N)N)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCCNC(=N)N)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCCNC(=N)N)NC(=O)C(Cc2c[nH]c3ccccc23)NC1=O	CIOVDCFIYHKAPQ-NVVJDERTSA-N	.
PEP00150	p-Fluorophenylalanine	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00151	LHRH	1186.364	C55H75N15O13S	436.25	1185.538948	-3.4037	84	16	16	31	"InChI=1S/C55H75N15O13S/c1-29(2)19-38(48(76)63-37(9-5-17-56)55(83)70-18-6-10-44(70)54(82)60-25-45(57)73)64-53(81)43(27-84)69-49(77)39(20-30-11-13-33(72)14-12-30)65-52(80)42(26-71)68-50(78)40(21-31-23-59-35-8-4-3-7-34(31)35)66-51(79)41(22-32-24-58-28-61-32)67-47(75)36-15-16-46(74)62-36/h3-4,7-8,11-14,23-24,28-29,36-44,59,71-72,84H,5-6,9-10,15-22,25-27,56H2,1-2H3,(H2,57,73)(H,58,61)(H,60,82)(H,62,74)(H,63,76)(H,64,81)(H,65,80)(H,66,79)(H,67,75)(H,68,78)(H,69,77)/t36-,37-,38-,39-,40-,41-,42-,43+,44?/m0/s1"	CC(C)C[C@H](NC(=O)[C@@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN)C(=O)N1CCCC1C(=O)NCC(N)=O	CC(C)CC(NC(=O)C(CS)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCC(=O)N1)C(=O)NC(CCCN)C(=O)N1CCCC1C(=O)NCC(N)=O	ALBWUWNHEAAPCF-ZELPSTJXSA-N	.
PEP00152	[D-Lys6]-LH-RH	1253.434	C59H84N18O13	498.15	1252.646525	-3.68013	90	18	16	35	"InChI=1S/C59H84N18O13/c1-32(2)23-42(52(84)71-41(12-7-21-65-59(62)63)58(90)77-22-8-13-47(77)57(89)67-29-48(61)80)72-50(82)39(11-5-6-20-60)70-53(85)43(24-33-14-16-36(79)17-15-33)73-56(88)46(30-78)76-54(86)44(25-34-27-66-38-10-4-3-9-37(34)38)74-55(87)45(26-35-28-64-31-68-35)75-51(83)40-18-19-49(81)69-40/h3-4,9-10,14-17,27-28,31-32,39-47,66,78-79H,5-8,11-13,18-26,29-30,60H2,1-2H3,(H2,61,80)(H,64,68)(H,67,89)(H,69,81)(H,70,85)(H,71,84)(H,72,82)(H,73,88)(H,74,87)(H,75,83)(H,76,86)(H4,62,63,65)/t39-,40+,41+,42+,43+,44+,45+,46+,47+/m1/s1"	CC(C)C[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O	CC(C)CC(NC(=O)C(CCCCN)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]cn1)NC(=O)C1CCC(=O)N1)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NCC(N)=O	HOWBSMILMYIFKQ-OBCLEYQXSA-N	.
PEP00153	PSMA-specific peptide	648.579	C24H36N6O15	372.01	648.2238645	-4.3279	45	11	11	23	"InChI=1S/C24H36N6O15/c25-10(9-15(26)31)20(37)30-14(24(44)45)3-7-18(34)28-12(22(40)41)1-5-16(32)27-11(21(38)39)2-6-17(33)29-13(23(42)43)4-8-19(35)36/h10-14H,1-9,25H2,(H2,26,31)(H,27,32)(H,28,34)(H,29,33)(H,30,37)(H,35,36)(H,38,39)(H,40,41)(H,42,43)(H,44,45)/t10-,11-,12-,13-,14-/m0/s1"	NC(=O)C[C@H](N)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O	NC(=O)CC(N)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O	OWCRYJTVWVHTCC-PEDHHIEDSA-N	.
PEP00154	GIP1234	4160.576	C190H276N48O58	1670.36	4158.012309	-16.0003	296	55	58	140	"InChI=1S/C190H276N48O58/c1-14-97(6)153(234-179(284)136(92-241)227-172(277)127(77-108-50-54-113(245)55-51-108)221-176(281)132(82-152(260)261)224-178(283)135(91-240)229-184(289)155(99(8)16-3)233-177(282)128(76-106-37-21-18-22-38-106)225-185(290)156(104(13)243)231-147(251)89-202-161(266)120(58-63-148(252)253)212-158(263)101(10)207-160(265)115(194)74-107-48-52-112(244)53-49-107)182(287)209-102(11)159(264)211-118(42-26-29-67-192)164(269)223-131(81-151(258)259)175(280)214-119(43-27-30-68-193)169(274)232-154(98(7)15-2)183(288)226-130(79-110-84-197-94-204-110)174(279)217-122(57-62-143(196)247)166(271)215-121(56-61-142(195)246)165(270)216-123(59-64-149(254)255)167(272)220-126(75-105-35-19-17-20-36-105)171(276)218-124(60-65-150(256)257)168(273)222-129(78-109-83-199-116-40-24-23-39-114(109)116)173(278)219-125(73-96(4)5)170(275)213-117(41-25-28-66-191)163(268)208-100(9)157(262)201-86-144(248)200-87-146(250)210-133(80-111-85-198-95-205-111)187(292)235-69-31-44-138(235)180(285)228-134(90-239)162(267)203-88-145(249)206-103(12)186(291)237-71-33-46-140(237)189(294)238-72-34-47-141(238)188(293)236-70-32-45-139(236)181(286)230-137(93-242)190(295)296/h17-24,35-40,48-55,83-85,94-104,115,117-141,153-156,199,239-245H,14-16,25-34,41-47,56-82,86-93,191-194H2,1-13H3,(H2,195,246)(H2,196,247)(H,197,204)(H,198,205)(H,200,248)(H,201,262)(H,202,266)(H,203,267)(H,206,249)(H,207,265)(H,208,268)(H,209,287)(H,210,250)(H,211,264)(H,212,263)(H,213,275)(H,214,280)(H,215,271)(H,216,270)(H,217,279)(H,218,276)(H,219,278)(H,220,272)(H,221,281)(H,222,273)(H,223,269)(H,224,283)(H,225,290)(H,226,288)(H,227,277)(H,228,285)(H,229,289)(H,230,286)(H,231,251)(H,232,274)(H,233,282)(H,234,284)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,295,296)/t97-,98-,99-,100-,101-,102-,103-,104+,115-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,153-,154-,155-,156-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@]([H])(NC(=O)[C@H](CO[H])NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO[H])NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]([H])(NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O[H])cc1)N[H])[C@@H](C)O[H])[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN[H])C(=O)N[C@]([H])(C(=O)N[C@@H](Cc1cn([H])cn1)C(=O)N[C@@H](CCC(=O)N[H])C(=O)N[C@@H](CCC(=O)N[H])C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cn([H])c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1cn([H])cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO[H])C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO[H])C(=O)O)[C@@H](C)CC	[H]NCCCCC(NC(=O)C(C)NC(=O)C([H])(NC(=O)C(CO[H])NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(CC(=O)O)NC(=O)C(CO[H])NC(=O)C([H])(NC(=O)C(Cc1ccccc1)NC(=O)C([H])(NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(Cc1ccc(O[H])cc1)N[H])C(C)O[H])C(C)CC)C(C)CC)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN[H])C(=O)NC([H])(C(=O)NC(Cc1cn([H])cn1)C(=O)NC(CCC(=O)N[H])C(=O)NC(CCC(=O)N[H])C(=O)NC(CCC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1cn([H])c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(CCCCN[H])C(=O)NC(C)C(=O)NCC(=O)NCC(=O)NC(Cc1cn([H])cn1)C(=O)N1CCCC1C(=O)NC(CO[H])C(=O)NCC(=O)NC(C)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(CO[H])C(=O)O)C(C)CC	NENIQMIBPZMVNJ-OHTRBNIPSA-N	.
PEP00155	YAyITCTF	1007.133	C48H62N8O14S	351.02	1006.41062	-0.7435	71	13	14	19	"InChI=1S/C48H62N8O14S/c1-6-24(2)37-44(65)56-39(27(5)58)46(67)52-36(43(64)55-38(26(4)57)45(66)51-35(47(68)69)22-28-10-8-7-9-11-28)23-71-48(70)53-34(21-30-14-18-32(60)19-15-30)41(62)49-25(3)40(61)50-33(42(63)54-37)20-29-12-16-31(59)17-13-29/h7-19,24-27,33-39,57-60H,6,20-23H2,1-5H3,(H,49,62)(H,50,61)(H,51,66)(H,52,67)(H,53,70)(H,54,63)(H,55,64)(H,56,65)(H,68,69)/t24-,25-,26+,27+,33-,34-,35-,36-,37-,38-,39-/m0/s1"	[H]Oc1ccc(C[C@@H]2NC(=O)SC[C@@H](C(=O)N[C@]([H])(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)[C@@H](C)O[H])NC(=O)[C@]([H])([C@@H](C)O[H])NC(=O)[C@]([H])([C@@H](C)CC)NC(=O)[C@H](Cc3ccc(O[H])cc3)NC(=O)[C@H](C)NC2=O)cc1	[H]Oc1ccc(CC2NC(=O)SCC(C(=O)NC([H])(C(=O)NC(Cc3ccccc3)C(=O)O)C(C)O[H])NC(=O)C([H])(C(C)O[H])NC(=O)C([H])(C(C)CC)NC(=O)C(Cc3ccc(O[H])cc3)NC(=O)C(C)NC2=O)cc1	PHUJBULWAKYHFC-VAHDPIPNSA-N	.
PEP00156	OGF	573.672	C27H35N5O7S	199.95	573.2257195	-0.4556	40	7	8	18	"InChI=1S/C27H35N5O7S/c1-40-12-11-21(27(38)39)32-26(37)22(14-17-5-3-2-4-6-17)31-24(35)16-29-23(34)15-30-25(36)20(28)13-18-7-9-19(33)10-8-18/h2-10,20-22,33H,11-16,28H2,1H3,(H,29,34)(H,30,36)(H,31,35)(H,32,37)(H,38,39)/t20-,21-,22-/m0/s1"	[H]N[C@@H](Cc1ccc(O[H])cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)O	[H]NC(Cc1ccc(O[H])cc1)C(=O)NCC(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(CCSC)C(=O)O	YFGBQHOOROIVKG-FKBYEOEOSA-N	.
PEP00157	GE11	1540.701	C75H97N17O19	586.2	1539.714664	-2.3728	111	20	20	46	"InChI=1S/C75H97N17O19/c1-6-39(4)63(75(110)111)90-73(108)62(38(2)3)89-71(106)57(33-60(78)98)88-67(102)52(25-26-59(77)97)84-72(107)58-12-9-27-92(58)74(109)64(40(5)93)91-70(105)54(30-43-17-23-48(96)24-18-43)83-61(99)36-81-66(101)53(29-42-15-21-47(95)22-16-42)86-68(103)55(31-44-34-80-51-11-8-7-10-49(44)51)87-69(104)56(32-45-35-79-37-82-45)85-65(100)50(76)28-41-13-19-46(94)20-14-41/h7-8,10-11,13-24,34-35,37-40,50,52-58,62-64,80,93-96H,6,9,12,25-33,36,76H2,1-5H3,(H2,77,97)(H2,78,98)(H,79,82)(H,81,101)(H,83,99)(H,84,107)(H,85,100)(H,86,103)(H,87,104)(H,88,102)(H,89,106)(H,90,108)(H,91,105)(H,110,111)/t39-,40+,50-,52-,53-,54-,55-,56-,57-,58-,62-,63-,64-/m0/s1"	[H]NC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@]([H])(NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)CNC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](Cc1cn([H])cn1)NC(=O)[C@H](Cc1ccc(O[H])cc1)N[H])[C@@H](C)O[H])C(=O)N[C@@H](CC(=O)N[H])C(=O)N[C@H](C(=O)N[C@]([H])(C(=O)O)[C@@H](C)CC)C(C)C	[H]NC(=O)CCC(NC(=O)C1CCCN1C(=O)C([H])(NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)CNC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(Cc1cn([H])cn1)NC(=O)C(Cc1ccc(O[H])cc1)N[H])C(C)O[H])C(=O)NC(CC(=O)N[H])C(=O)NC(C(=O)NC([H])(C(=O)O)C(C)CC)C(C)C	WSJPGZADYJZAAN-WCNSOSDNSA-N	.
PEP00158	"[K4,F7,K22,P34]-NPY"	4297.854	C198H295N53O55	1747.39	4295.191611	-13.3366	306	56	57	140	"InChI=1S/C198H295N53O55/c1-16-103(9)157(186(297)240-138(92-150(202)259)175(286)232-133(84-102(7)8)178(289)245-158(104(10)17-2)187(298)246-159(109(15)253)188(299)229-130(41-28-76-215-198(209)210)192(303)250-80-32-45-148(250)183(294)227-126(40-27-75-214-197(207)208)166(277)242-143(194(305)306)90-115-55-65-121(258)66-56-115)244-179(290)136(88-114-53-63-120(257)64-54-114)235-174(285)137(91-116-96-211-99-217-116)236-165(276)125(39-26-74-213-196(205)206)226-171(282)132(83-101(5)6)230-162(273)106(12)218-163(274)123(36-21-23-71-199)225-172(283)134(86-112-49-59-118(255)60-50-112)234-173(284)135(87-113-51-61-119(256)62-52-113)233-164(275)124(38-25-73-212-195(203)204)223-160(271)105(11)219-169(280)131(82-100(3)4)231-176(287)140(94-155(267)268)238-168(279)128(68-70-153(263)264)224-161(272)107(13)220-182(293)146-43-30-77-247(146)189(300)108(14)221-170(281)139(93-154(265)266)237-167(278)127(67-69-152(261)262)222-151(260)97-216-181(292)145-42-29-79-249(145)193(304)142(89-110-34-19-18-20-35-110)241-177(288)141(95-156(269)270)239-184(295)149-46-33-81-251(149)191(302)129(37-22-24-72-200)228-180(291)144(98-252)243-185(296)147-44-31-78-248(147)190(301)122(201)85-111-47-57-117(254)58-48-111/h18-20,34-35,47-66,96,99-109,122-149,157-159,252-258H,16-17,21-33,36-46,67-95,97-98,199-201H2,1-15H3,(H2,202,259)(H,211,217)(H,216,292)(H,218,274)(H,219,280)(H,220,293)(H,221,281)(H,222,260)(H,223,271)(H,224,272)(H,225,283)(H,226,282)(H,227,294)(H,228,291)(H,229,299)(H,230,273)(H,231,287)(H,232,286)(H,233,275)(H,234,284)(H,235,285)(H,236,276)(H,237,278)(H,238,279)(H,239,295)(H,240,297)(H,241,288)(H,242,277)(H,243,296)(H,244,290)(H,245,289)(H,246,298)(H,261,262)(H,263,264)(H,265,266)(H,267,268)(H,269,270)(H,305,306)(H4,203,204,212)(H4,205,206,213)(H4,207,208,214)(H4,209,210,215)/t103-,104-,105-,106-,107-,108-,109+,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,157-,158-,159-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN[H])NC(=O)[C@H](CO[H])NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O[H])cc1)N[H])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](Cc1cn([H])cn1)C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)N[C@]([H])(C(=O)N[C@@H](CC(=O)N[H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@]([H])(C(=O)N[C@]([H])(C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)O)[C@@H](C)O[H])[C@@H](C)CC)[C@@H](C)CC	[H]NCCCCC(NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C1CCCN1C(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C1CCCN1C(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)O)NC(=O)C1CCCN1C(=O)C(CCCCN[H])NC(=O)C(CO[H])NC(=O)C1CCCN1C(=O)C(Cc1ccc(O[H])cc1)N[H])C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N[H])C(=O)NC(Cc1cn([H])cn1)C(=O)NC(Cc1ccc(O[H])cc1)C(=O)NC([H])(C(=O)NC(CC(=O)N[H])C(=O)NC(CC(C)C)C(=O)NC([H])(C(=O)NC([H])(C(=O)NC(CCCN=C(N)N[H])C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N[H])C(=O)NC(Cc1ccc(O[H])cc1)C(=O)O)C(C)O[H])C(C)CC)C(C)CC	VKXHTGBMWJGPHJ-VUZUKZSBSA-N	.
PEP00159	"[K4(C-&beta;A-),F7,L17,P34]-hNPY"	4256.757	C195H288N52O56	1741.6	4254.128676	-14.4733	303	56	57	137	"InChI=1S/C195H288N52O56/c1-16-100(9)154(183(294)235-134(88-147(198)256)171(282)227-129(80-99(7)8)174(285)241-155(101(10)17-2)184(295)242-156(106(15)250)185(296)224-126(38-26-72-211-195(205)206)189(300)246-76-30-42-145(246)180(291)222-122(37-25-71-210-194(203)204)162(273)237-139(191(302)303)86-112-52-62-118(255)63-53-112)240-175(286)132(84-111-50-60-117(254)61-51-111)230-170(281)133(87-113-92-207-96-213-113)231-161(272)121(36-24-70-209-193(201)202)221-167(278)128(79-98(5)6)225-159(270)103(12)215-176(287)140(94-248)238-169(280)131(83-110-48-58-116(253)59-49-110)229-168(279)130(82-109-46-56-115(252)57-47-109)228-160(271)120(35-23-69-208-192(199)200)219-157(268)102(11)214-165(276)127(78-97(3)4)226-172(283)136(90-152(264)265)233-164(275)124(65-67-150(260)261)220-158(269)104(13)216-179(290)143-40-28-73-243(143)186(297)105(14)217-166(277)135(89-151(262)263)232-163(274)123(64-66-149(258)259)218-148(257)93-212-178(289)142-39-27-75-245(142)190(301)138(85-107-32-19-18-20-33-107)236-173(284)137(91-153(266)267)234-181(292)146-43-31-77-247(146)188(299)125(34-21-22-68-196)223-177(288)141(95-249)239-182(293)144-41-29-74-244(144)187(298)119(197)81-108-44-54-114(251)55-45-108/h18-20,32-33,44-63,92,96-106,119-146,154-156,248-255H,16-17,21-31,34-43,64-91,93-95,196-197H2,1-15H3,(H2,198,256)(H,207,213)(H,212,289)(H,214,276)(H,215,287)(H,216,290)(H,217,277)(H,218,257)(H,219,268)(H,220,269)(H,221,278)(H,222,291)(H,223,288)(H,224,296)(H,225,270)(H,226,283)(H,227,282)(H,228,271)(H,229,279)(H,230,281)(H,231,272)(H,232,274)(H,233,275)(H,234,292)(H,235,294)(H,236,284)(H,237,273)(H,238,280)(H,239,293)(H,240,286)(H,241,285)(H,242,295)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,302,303)(H4,199,200,208)(H4,201,202,209)(H4,203,204,210)(H4,205,206,211)/t100-,101-,102-,103-,104-,105-,106+,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,154-,155-,156-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CO[H])NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O[H])cc1)N[H])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)N[C@@H](CO[H])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](Cc1cn([H])cn1)C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)N[C@]([H])(C(=O)N[C@@H](CC(=O)N[H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@]([H])(C(=O)N[C@]([H])(C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)O)[C@@H](C)O[H])[C@@H](C)CC)[C@@H](C)CC	[H]NCCCCC(NC(=O)C(CO[H])NC(=O)C1CCCN1C(=O)C(Cc1ccc(O[H])cc1)N[H])C(=O)N1CCCC1C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCCN=C(N)N[H])C(=O)NC(Cc1ccc(O[H])cc1)C(=O)NC(Cc1ccc(O[H])cc1)C(=O)NC(CO[H])C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N[H])C(=O)NC(Cc1cn([H])cn1)C(=O)NC(Cc1ccc(O[H])cc1)C(=O)NC([H])(C(=O)NC(CC(=O)N[H])C(=O)NC(CC(C)C)C(=O)NC([H])(C(=O)NC([H])(C(=O)NC(CCCN=C(N)N[H])C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N[H])C(=O)NC(Cc1ccc(O[H])cc1)C(=O)O)C(C)O[H])C(C)CC)C(C)CC	QSIJWQZILWJPQB-WVKITUBLSA-N	.
PEP00160	123B9	1347.535	C59H86N12O20S2	504.29	1346.552275	-4.7262	93	17	21	43	"InChI=1S/C59H86N12O20S2/c1-30(2)47(58(89)71-21-7-9-45(71)55(86)63-38(19-23-93-5)50(81)62-37(18-22-92-4)51(82)68-43(29-74)59(90)91)69-54(85)42(28-73)67-52(83)39(26-46(77)78)64-56(87)44-8-6-20-70(44)57(88)40(25-33-12-16-35(76)17-13-33)65-48(79)31(3)61-53(84)41(27-72)66-49(80)36(60)24-32-10-14-34(75)15-11-32/h10-17,30-31,36-45,47,72-76H,6-9,18-29,60H2,1-5H3,(H,61,84)(H,62,81)(H,63,86)(H,64,87)(H,65,79)(H,66,80)(H,67,83)(H,68,82)(H,69,85)(H,77,78)(H,90,91)/t31-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,47-/m0/s1"	[H]N[C@@H](Cc1ccc(O[H])cc1)C(=O)N[C@@H](CO[H])C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO[H])C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO[H])C(=O)O)C(C)C	[H]NC(Cc1ccc(O[H])cc1)C(=O)NC(CO[H])C(=O)NC(C)C(=O)NC(Cc1ccc(O[H])cc1)C(=O)N1CCCC1C(=O)NC(CC(=O)O)C(=O)NC(CO[H])C(=O)NC(C(=O)N1CCCC1C(=O)NC(CCSC)C(=O)NC(CCSC)C(=O)NC(CO[H])C(=O)O)C(C)C	WMDHJFJOXRIVNH-JZPYIPNMSA-N	.
PEP00161	Peptide 18-4	1295.511	C63H90N16O14	509.32	1294.682242	-1.25313	93	18	15	40	"InChI=1S/C63H90N16O14/c1-6-7-17-44(73-56(87)42(64)32-39-33-70-43-18-12-11-16-41(39)43)58(89)75-47(25-27-52(82)83)57(88)72-35(4)54(85)71-36(5)55(86)78-49(31-38-20-22-40(80)23-21-38)61(92)76-46(24-26-51(65)81)60(91)74-45(19-13-28-69-63(67)68)59(90)79-50(30-37-14-9-8-10-15-37)62(93)77-48(53(66)84)29-34(2)3/h8-12,14-16,18,20-23,33-36,42,44-50,70,80H,6-7,13,17,19,24-32,64H2,1-5H3,(H2,65,81)(H2,66,84)(H,71,85)(H,72,88)(H,73,87)(H,74,91)(H,75,89)(H,76,92)(H,77,93)(H,78,86)(H,79,90)(H,82,83)(H4,67,68,69)/t35-,36-,42-,44+,45+,46-,47-,48-,49-,50-/m0/s1"	CCCC[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O	CCCCC(NC(=O)C(N)Cc1c[nH]c2ccccc12)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NC(C)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(N)=O	LCJLSMZNUNPPOO-YLJKTHCJSA-N	.
PEP00162	Angiopep-2	2301.508	C104H149N29O31	1029.89	2300.097429	-11.7569	164	35	33	84	"InChI=1S/C104H149N29O31/c1-55(135)85(109)100(161)131-73(46-59-22-10-5-11-23-59)96(157)127-72(45-58-20-8-4-9-21-58)95(156)126-70(47-60-28-32-62(137)33-29-60)88(149)117-51-80(141)116-52-81(142)120-77(54-134)99(160)121-64(26-16-42-114-103(110)111)87(148)118-53-82(143)119-65(24-12-14-40-105)89(150)122-67(27-17-43-115-104(112)113)90(151)129-74(49-78(107)139)98(159)130-75(50-79(108)140)97(158)128-71(44-57-18-6-3-7-19-57)94(155)123-66(25-13-15-41-106)93(154)133-86(56(2)136)101(162)125-69(37-39-84(146)147)91(152)124-68(36-38-83(144)145)92(153)132-76(102(163)164)48-61-30-34-63(138)35-31-61/h3-11,18-23,28-35,55-56,64-77,85-86,134-138H,12-17,24-27,36-54,105-106,109H2,1-2H3,(H2,107,139)(H2,108,140)(H,116,141)(H,117,149)(H,118,148)(H,119,143)(H,120,142)(H,121,160)(H,122,150)(H,123,155)(H,124,152)(H,125,162)(H,126,156)(H,127,157)(H,128,158)(H,129,151)(H,130,159)(H,131,161)(H,132,153)(H,133,154)(H,144,145)(H,146,147)(H,163,164)(H4,110,111,114)(H4,112,113,115)/t55-,56-,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,85+,86+/m1/s1"	[H]NCCCC[C@H](NC(=O)CNC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CO[H])NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]([H])(N[H])[C@@H](C)O[H])C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](CC(=O)N[H])C(=O)N[C@@H](CC(=O)N[H])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN[H])C(=O)N[C@]([H])(C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)O)[C@@H](C)O[H]	[H]NCCCCC(NC(=O)CNC(=O)C(CCCN=C(N)N[H])NC(=O)C(CO[H])NC(=O)CNC(=O)CNC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C([H])(N[H])C(C)O[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CC(=O)N[H])C(=O)NC(CC(=O)N[H])C(=O)NC(Cc1ccccc1)C(=O)NC(CCCCN[H])C(=O)NC([H])(C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1ccc(O[H])cc1)C(=O)O)C(C)O[H]	RCVVJXYDPKEONQ-JVFWYHQTSA-N	.
PEP00163	c[DKP-RGD]	630.663	C27H38N10O8	291.03	630.2874082	-4.31543	45	10	9	9	"InChI=1S/C27H38N10O8/c28-10-14-3-5-15(6-4-14)13-37-19-9-20(38)34-16(2-1-7-31-27(29)30)23(42)33-12-21(39)35-17(8-22(40)41)24(43)32-11-18(26(37)45)36-25(19)44/h3-6,16-19H,1-2,7-13,28H2,(H,32,43)(H,33,42)(H,34,38)(H,35,39)(H,36,44)(H,40,41)(H4,29,30,31)/t16-,17-,18-,19+/m0/s1"	N=C(N)NCCC[C@@H]1NC(=O)C[C@@H]2C(=O)N[C@@H](CNC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O)C(=O)N2Cc1ccc(CN)cc1	N=C(N)NCCCC1NC(=O)CC2C(=O)NC(CNC(=O)C(CC(=O)O)NC(=O)CNC1=O)C(=O)N2Cc1ccc(CN)cc1	LDILHAXCSRSOSM-CADBVGFASA-N	.
PEP00164	c[DKP-RGD]-PEG<sub>4</sub>-sC18	3011.591	C133H228N48O32	1335.44	3009.768927	-13.80203	213	42	44	112	"InChI=1S/C133H228N48O32/c1-7-78(6)108(127(208)171-88(31-14-19-48-137)114(195)170-94(42-43-106(186)187)120(201)162-84(109(141)190)28-11-16-45-134)177-121(202)89(32-15-20-49-138)166-125(206)98(68-102(140)182)175-119(200)93(37-25-54-156-133(150)151)169-124(205)97(66-79-26-9-8-10-27-79)174-117(198)87(30-13-18-47-136)164-116(197)91(35-23-52-154-131(146)147)168-123(204)96(65-77(4)5)173-118(199)92(36-24-53-155-132(148)149)165-113(194)86(29-12-17-46-135)163-115(196)90(34-22-51-153-130(144)145)167-122(203)95(64-76(2)3)172-110(191)83(139)67-82-75-180(179-178-82)55-57-211-59-61-213-63-62-212-60-58-210-56-44-103(183)157-71-80-38-40-81(41-39-80)74-181-101-70-104(184)160-85(33-21-50-152-129(142)143)111(192)159-73-105(185)161-99(69-107(188)189)112(193)158-72-100(128(181)209)176-126(101)207/h8-10,26-27,38-41,75-78,83-101,108H,7,11-25,28-37,42-74,134-139H2,1-6H3,(H2,140,182)(H2,141,190)(H,157,183)(H,158,193)(H,159,192)(H,160,184)(H,161,185)(H,162,201)(H,163,196)(H,164,197)(H,165,194)(H,166,206)(H,167,203)(H,168,204)(H,169,205)(H,170,195)(H,171,208)(H,172,191)(H,173,199)(H,174,198)(H,175,200)(H,176,207)(H,177,202)(H,186,187)(H,188,189)(H4,142,143,152)(H4,144,145,153)(H4,146,147,154)(H4,148,149,155)(H4,150,151,156)/t78-,83?,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101+,108-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN[H])NC(=O)[C@@]([H])(NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CC(=O)N[H])NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CC(C)C)NC(=O)C(N)Cc1cn(CCOCCOCCOCCOCCC(=O)NCc2ccc(CN3C(=O)[C@@H]4CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H]3C(=O)N4)cc2)nn1)[C@@H](C)CC)C(N)=O	[H]NCCCCC(NC(=O)C(CCC(=O)O)NC(=O)C(CCCCN[H])NC(=O)C([H])(NC(=O)C(CCCCN[H])NC(=O)C(CC(=O)N[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C(Cc1ccccc1)NC(=O)C(CCCCN[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCCN[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CC(C)C)NC(=O)C(N)Cc1cn(CCOCCOCCOCCOCCC(=O)NCc2ccc(CN3C(=O)C4CNC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)CC3C(=O)N4)cc2)nn1)C(C)CC)C(N)=O	RBAKWJKQPHNSAD-MSYGNZFVSA-N	.
PEP00165	STRAP-1	907.197	C42H74N12O8S	354.36	906.5473283	-1.1166	63	13	12	36	"InChI=1S/C42H74N12O8S/c1-5-26(4)34(40(60)51-31(23-27-14-7-6-8-15-27)38(58)53-33(24-63)39(59)52-32(41(61)62)22-25(2)3)54-37(57)29(17-10-12-20-44)50-36(56)30(18-13-21-48-42(46)47)49-35(55)28(45)16-9-11-19-43/h6-8,14-15,25-26,28-34,63H,5,9-13,16-24,43-45H2,1-4H3,(H,49,55)(H,50,56)(H,51,60)(H,52,59)(H,53,58)(H,54,57)(H,61,62)(H4,46,47,48)/t26-,28+,29+,30-,31+,32+,33-,34-/m0/s1"	[H]NCCCC[C@@H](N[H])C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@H](CCCCN[H])C(=O)N[C@]([H])(C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CS[H])C(=O)N[C@H](CC(C)C)C(=O)O)[C@@H](C)CC	[H]NCCCCC(N[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCCCN[H])C(=O)NC([H])(C(=O)NC(Cc1ccccc1)C(=O)NC(CS[H])C(=O)NC(CC(C)C)C(=O)O)C(C)CC	ZTDWFOLWZLONRV-DWFITEHMSA-N	.
PEP00166	STRAP-3	907.197	C42H74N12O8S	354.36	906.5473283	-1.1166	63	13	12	36	"InChI=1S/C42H74N12O8S/c1-5-26(4)34(40(60)53-33(24-63)39(59)52-32(41(61)62)22-25(2)3)54-38(58)31(23-27-14-7-6-8-15-27)51-37(57)29(17-10-12-20-44)50-36(56)30(18-13-21-48-42(46)47)49-35(55)28(45)16-9-11-19-43/h6-8,14-15,25-26,28-34,63H,5,9-13,16-24,43-45H2,1-4H3,(H,49,55)(H,50,56)(H,51,57)(H,52,59)(H,53,60)(H,54,58)(H,61,62)(H4,46,47,48)/t26-,28-,29-,30+,31+,32-,33+,34-/m0/s1"	[H]NCCCC[C@H](N[H])C(=O)N[C@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](CCCCN[H])C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@]([H])(C(=O)N[C@H](CS[H])C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC	[H]NCCCCC(N[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCCCN[H])C(=O)NC(Cc1ccccc1)C(=O)NC([H])(C(=O)NC(CS[H])C(=O)NC(CC(C)C)C(=O)O)C(C)CC	XSVYSYBQSSNRAI-GHHKMHCSSA-N	.
PEP00167	DT7	893.02	C41H60N14O9	371.12	892.4667695	-2.1872	64	12	12	26	"InChI=1S/C41H60N14O9/c1-4-22(2)33(54-34(57)23(3)50-35(58)28(42)16-25-18-45-20-48-25)38(61)52-30(15-24-9-11-27(56)12-10-24)39(62)55-14-6-8-32(55)37(60)51-29(7-5-13-47-41(43)44)36(59)53-31(40(63)64)17-26-19-46-21-49-26/h9-12,18-23,28-33,56H,4-8,13-17,42H2,1-3H3,(H,45,48)(H,46,49)(H,50,58)(H,51,60)(H,52,61)(H,53,59)(H,54,57)(H,63,64)(H4,43,44,47)/t22-,23-,28-,29-,30-,31-,32-,33-/m0/s1"	[H]N/C(N)=N/CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@@]([H])(NC(=O)[C@H](C)NC(=O)[C@H](Cc1cn([H])cn1)N[H])[C@@H](C)CC)C(=O)N[C@@H](Cc1cn([H])cn1)C(=O)O	[H]NC(N)=NCCCC(NC(=O)C1CCCN1C(=O)C(Cc1ccc(O[H])cc1)NC(=O)C([H])(NC(=O)C(C)NC(=O)C(Cc1cn([H])cn1)N[H])C(C)CC)C(=O)NC(Cc1cn([H])cn1)C(=O)O	XAEMVBIKWOMFAH-JIQJDAEYSA-N	.
PEP00168	GnRH-III	1259.353	C59H74N18O14	497.79	1258.563189	-3.7733	91	17	16	34	"InChI=1S/C59H74N18O14/c60-16-6-5-12-40(59(91)77-17-7-13-47(77)58(90)66-27-48(61)79)70-52(84)41(18-31-23-64-37-10-3-1-8-35(31)37)72-56(88)45(22-50(81)82)75-55(87)44(21-34-26-63-30-68-34)74-57(89)46(28-78)76-53(85)42(19-32-24-65-38-11-4-2-9-36(32)38)71-54(86)43(20-33-25-62-29-67-33)73-51(83)39-14-15-49(80)69-39/h1-4,8-11,23-26,29-30,39-47,64-65,78H,5-7,12-22,27-28,60H2,(H2,61,79)(H,62,67)(H,63,68)(H,66,90)(H,69,80)(H,70,84)(H,71,86)(H,72,88)(H,73,83)(H,74,89)(H,75,87)(H,76,85)(H,81,82)/t39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cn([H])cn1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](Cc1cn([H])cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O	[H]NCCCCC(NC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(CC(=O)O)NC(=O)C(Cc1cn([H])cn1)NC(=O)C(CO)NC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(Cc1cn([H])cn1)NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)NCC(N)=O	RTASYRSYWSLWJV-CSYZDTNESA-N	.
PEP00169	Fallypride	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00170	BCY6099	2398.833	C105H160N32O27S3	904.56	2397.129281	-6.94186	167	28	32	34	"InChI=1S/C105H160N32O27S3/c1-53(2)34-65-90(151)126-71(38-59-44-113-49-117-59)101(162)135-29-16-23-77(135)98(159)125-70(42-84(145)146)93(154)121-68(37-58-43-116-62-19-11-10-18-61(58)62)92(153)119-64(21-13-15-28-115-105(111)112)89(150)128-73(86(108)147)46-165-31-24-80(140)132-50-133-52-134(51-132)82(142)26-33-167-48-75(130-94(155)69(41-83(143)144)122-88(149)63(118-87(148)57(9)106)20-12-14-27-114-104(109)110)103(164)137-45-60(138)39-78(137)99(160)124-67(36-55(5)6)95(156)131-85(56(7)8)100(161)127-72(40-79(107)139)102(163)136-30-17-22-76(136)97(158)123-66(35-54(3)4)91(152)129-74(96(157)120-65)47-166-32-25-81(133)141/h10-11,17-19,30,43-44,49,53-57,60,63-78,85,116,138H,12-16,20-29,31-42,45-48,50-52,106H2,1-9H3,(H2,107,139)(H2,108,147)(H,113,117)(H,118,148)(H,119,153)(H,120,157)(H,121,154)(H,122,149)(H,123,158)(H,124,160)(H,125,159)(H,126,151)(H,127,161)(H,128,150)(H,129,152)(H,130,155)(H,131,156)(H,143,144)(H,145,146)(H4,109,110,114)(H4,111,112,115)/t57-,60+,63?,64-,65-,66-,67-,68-,69-,70-,71-,72-,73?,74?,75-,76-,77-,78-,85-/m0/s1"	CC(C)C[C@@H]1NC(=O)C2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)C(CCCCNC(=N)N)NC(=O)[C@H](C)N)C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N3C=CC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N2)C(=O)CCSCC(C(N)=O)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]cn2)NC1=O	CC(C)CC1NC(=O)C2CSCCC(=O)N3CN(CN(C3)C(=O)CCSCC(NC(=O)C(CC(=O)O)NC(=O)C(CCCCNC(=N)N)NC(=O)C(C)N)C(=O)N3CC(O)CC3C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CC(N)=O)C(=O)N3C=CCC3C(=O)NC(CC(C)C)C(=O)N2)C(=O)CCSCC(C(N)=O)NC(=O)C(CCCCNC(=N)N)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CC(=O)O)NC(=O)C2CCCN2C(=O)C(Cc2c[nH]cn2)NC1=O	WHONNPPIXXHMCB-AMRGXIBFSA-N	.
PEP00171	Bicycle toxin conjugate precursor	2172.529	C98H130N24O25S4	739.84	2170.85218	-4.58253	151	23	29	21	"InChI=1S/C98H130N24O25S4/c1-52(124)82-97(147)121-31-13-24-75(121)96(146)122-44-57(125)39-76(122)94(144)112-68(38-56-43-105-63-21-8-6-19-60(56)63)88(138)114-72(83(100)133)47-150-34-27-78(127)118-49-117-50-119(51-118)79(128)28-35-151-48-73(115-90(140)70(41-81(131)132)110-86(136)66(36-54-16-11-15-53-14-3-4-17-58(53)54)111-93(143)74-23-12-30-120(74)95(145)61(99)46-149-33-26-77(117)126)92(142)107-65(25-32-148-2)85(135)106-64(22-9-10-29-103-98(101)102)84(134)109-69(40-80(129)130)89(139)108-67(87(137)113-71(45-123)91(141)116-82)37-55-42-104-62-20-7-5-18-59(55)62/h3-8,11,14-21,42-43,52,57,61,64-76,82,104-105,123-125H,9-10,12-13,22-41,44-51,99H2,1-2H3,(H2,100,133)(H,106,135)(H,107,142)(H,108,139)(H,109,134)(H,110,136)(H,111,143)(H,112,144)(H,113,137)(H,114,138)(H,115,140)(H,116,141)(H,129,130)(H,131,132)(H4,101,102,103)/t52-,57-,61+,64+,65+,66+,67-,68+,69+,70?,71?,72+,73+,74+,75+,76+,82+/m1/s1"	CSCC[C@@H]1NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3cccc4ccccc34)C(=O)NC(CC(=O)O)C(=O)N2)C(=O)CCSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)O)NC(=O)C(CO)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCNC(=N)N)NC1=O	CSCCC1NC(=O)C2CSCCC(=O)N3CN(CN(C3)C(=O)CCSCC(C(N)=O)NC(=O)C(Cc3c[nH]c4ccccc34)NC(=O)C3CC(O)CN3C(=O)C3CCCN3C(=O)C(C(C)O)NC(=O)C(CO)NC(=O)C(Cc3c[nH]c4ccccc34)NC(=O)C(CC(=O)O)NC(=O)C(CCCCNC(=N)N)NC1=O)C(=O)CCSCC(N)C(=O)N1CCCC1C(=O)NC(Cc1cccc3ccccc13)C(=O)NC(CC(=O)O)C(=O)N2	FAJMTKQFCKVNHJ-OCLUNYMCSA-N	.
PEP00172	Cot-APT<sub>EDB</sub>	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00173	YSV	367.402	C17H25N3O6	161.98	367.1743355	-1.0355	26	6	6	12	"InChI=1S/C17H25N3O6/c1-9(2)14(17(25)26)20-16(24)13(8-21)19-15(23)12(18)7-10-3-5-11(22)6-4-10/h3-6,9,12-14,21-22H,7-8,18H2,1-2H3,(H,19,23)(H,20,24)(H,25,26)/t12-,13-,14-/m0/s1"	[H]N[C@@H](Cc1ccc(O[H])cc1)C(=O)N[C@@H](CO[H])C(=O)N[C@H](C(=O)O)C(C)C	[H]NC(Cc1ccc(O[H])cc1)C(=O)NC(CO[H])C(=O)NC(C(=O)O)C(C)C	TYFLVOUZHQUBGM-IHRRRGAJSA-N	.
PEP00174	BT1718 Bicycle peptide	1863.086	C85H107N17O25S3	689.03	1861.678615	-3.1298	130	22	25	20	"InChI=1S/C85H107N17O25S3/c1-41(86)70(112)99-61-39-129-36-48-26-47-27-49(28-48)37-130-40-62(100-72(114)43(3)89-75(117)57(32-46-16-19-50-14-10-11-15-51(50)29-46)94-73(115)53(22-24-64(105)106)91-77(119)58(33-63(87)104)93-71(113)42(2)90-80(61)122)81(123)92-54(23-25-65(107)108)74(116)97-59(34-66(109)110)78(120)95-55(30-44-12-8-7-9-13-44)76(118)96-56(31-45-17-20-52(103)21-18-45)79(121)101-67(84(126)127)82(124)102-68(85(4,5)6)83(125)98-60(69(88)111)38-128-35-47/h7-21,26-29,41-43,53-62,67-68,103H,22-25,30-40,86H2,1-6H3,(H2,87,104)(H2,88,111)(H,89,117)(H,90,122)(H,91,119)(H,92,123)(H,93,113)(H,94,115)(H,95,120)(H,96,118)(H,97,116)(H,98,125)(H,99,112)(H,100,114)(H,101,121)(H,102,124)(H,105,106)(H,107,108)(H,109,110)(H,126,127)/t41-,42+,43+,53-,54-,55-,56-,57-,58-,59-,60+,61+,62+,67?,68+/m0/s1"	C[C@H](N)C(=O)N[C@H]1CSCc2cc3cc(c2)CSC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccc4ccccc4c2)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C)NC1=O)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)NC(C(=O)O)C(=O)N[C@H](C(C)(C)C)C(=O)N[C@H](C(N)=O)CSC3	CC(N)C(=O)NC1CSCc2cc3cc(c2)CSCC(NC(=O)C(C)NC(=O)C(Cc2ccc4ccccc4c2)NC(=O)C(CCC(=O)O)NC(=O)C(CC(N)=O)NC(=O)C(C)NC1=O)C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C(=O)O)C(=O)NC(C(C)(C)C)C(=O)NC(C(N)=O)CSC3	SSNICADVCSVWJB-FZWCCHQESA-N	.
PEP00175	Unique variant of pHLIP	3387.912	C159H236N36O44S	1259.16	3385.705686	-5.0611	240	42	42	107	"InChI=1S/C159H236N36O44S/c1-22-83(16)128(154(235)186-106(61-82(14)15)141(222)176-103(58-79(8)9)139(220)182-112(69-123(204)205)148(229)179-100(55-76(2)3)136(217)175-102(57-78(6)7)138(219)181-108(64-91-72-167-96-39-28-26-37-94(91)96)145(226)190-117(75-240)133(214)169-74-126(210)211)191-156(237)130(88(21)197)192-150(231)114(71-125(208)209)187-155(236)129(87(20)196)193-152(233)119-44-34-54-195(119)157(238)115(63-89-35-24-23-25-36-89)188-142(223)105(60-81(12)13)177-137(218)101(56-77(4)5)180-149(230)113(70-124(206)207)183-140(221)104(59-80(10)11)178-143(224)107(62-90-45-47-93(198)48-46-90)174-132(213)86(19)170-134(215)99(42-32-51-166-159(162)163)172-144(225)109(65-92-73-168-97-40-29-27-38-95(92)97)185-151(232)118-43-33-53-194(118)158(239)116(66-120(161)199)189-135(216)98(41-30-31-50-165-153(234)127-84(17)49-52-164-127)171-146(227)111(68-122(202)203)184-147(228)110(67-121(200)201)173-131(212)85(18)160/h23-29,35-40,45-48,52,72-73,76-88,98-119,127-130,167-168,196-198,240H,22,30-34,41-44,49-51,53-71,74-75,160H2,1-21H3,(H2,161,199)(H,165,234)(H,169,214)(H,170,215)(H,171,227)(H,172,225)(H,173,212)(H,174,213)(H,175,217)(H,176,222)(H,177,218)(H,178,224)(H,179,229)(H,180,230)(H,181,219)(H,182,220)(H,183,221)(H,184,228)(H,185,232)(H,186,235)(H,187,236)(H,188,223)(H,189,216)(H,190,226)(H,191,237)(H,192,231)(H,193,233)(H,200,201)(H,202,203)(H,204,205)(H,206,207)(H,208,209)(H,210,211)(H4,162,163,166)/t83-,84+,85-,86-,87+,88+,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,127+,128-,129-,130-/m0/s1"	[H]NC(=O)C[C@H](NC(=O)[C@H](CCCCNC(=O)[C@@H]1N=CC[C@H]1C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)N[H])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cn([H])c2ccccc12)C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@]([H])(C(=O)N[C@@H](CC(=O)O)C(=O)N[C@]([H])(C(=O)N[C@]([H])(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cn([H])c2ccccc12)C(=O)N[C@@H](CS[H])C(=O)NCC(=O)O)[C@@H](C)CC)[C@@H](C)O[H])[C@@H](C)O[H]	[H]NC(=O)CC(NC(=O)C(CCCCNC(=O)C1N=CCC1C)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(C)N[H])C(=O)N1CCCC1C(=O)NC(Cc1cn([H])c2ccccc12)C(=O)NC(CCCN=C(N)N[H])C(=O)NC(C)C(=O)NC(Cc1ccc(O[H])cc1)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(=O)NC([H])(C(=O)NC(CC(=O)O)C(=O)NC([H])(C(=O)NC([H])(C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(Cc1cn([H])c2ccccc12)C(=O)NC(CS[H])C(=O)NCC(=O)O)C(C)CC)C(C)O[H])C(C)O[H]	UUNZFLYWPMXOIH-XGYFDBJRSA-N	.
PEP00176	GLP-1 analogue	4138.544	C184H274N46O61S	1671.23	4135.947326	-19.7567	292	57	60	140	"InChI=1S/C184H274N46O61S/c1-17-93(10)147(178(284)200-96(13)152(258)208-121(71-103-74-190-108-39-25-24-38-106(103)108)164(270)210-117(67-90(4)5)165(271)223-145(91(6)7)176(282)207-109(40-26-28-60-185)154(260)193-76-135(241)191-80-139(245)227-62-30-42-130(227)174(280)217-125(83-233)171(277)215-123(81-231)156(262)195-77-136(242)197-97(14)181(287)229-64-32-44-132(229)183(289)230-65-33-45-133(230)182(288)228-63-31-43-131(228)175(281)218-126(84-234)173(279)221-129(87-292)184(290)291)225-166(272)119(68-100-34-20-18-21-35-100)211-161(267)115(54-59-143(252)253)204-158(264)110(41-27-29-61-186)202-151(257)95(12)198-150(256)94(11)199-157(263)112(50-55-134(188)240)203-159(265)113(52-57-141(248)249)205-160(266)114(53-58-142(250)251)206-162(268)116(66-89(2)3)209-163(269)118(70-102-46-48-105(239)49-47-102)212-169(275)124(82-232)216-172(278)128(86-236)219-177(283)146(92(8)9)224-168(274)122(73-144(254)255)213-170(276)127(85-235)220-180(286)149(99(16)238)226-167(273)120(69-101-36-22-19-23-37-101)214-179(285)148(98(15)237)222-138(244)79-194-155(261)111(51-56-140(246)247)201-137(243)78-192-153(259)107(187)72-104-75-189-88-196-104/h18-25,34-39,46-49,74-75,88-99,107,109-133,145-149,190,231-239,292H,17,26-33,40-45,50-73,76-87,185-187H2,1-16H3,(H2,188,240)(H,189,196)(H,191,241)(H,192,259)(H,193,260)(H,194,261)(H,195,262)(H,197,242)(H,198,256)(H,199,263)(H,200,284)(H,201,243)(H,202,257)(H,203,265)(H,204,264)(H,205,266)(H,206,268)(H,207,282)(H,208,258)(H,209,269)(H,210,270)(H,211,267)(H,212,275)(H,213,276)(H,214,285)(H,215,277)(H,216,278)(H,217,280)(H,218,281)(H,219,283)(H,220,286)(H,221,279)(H,222,244)(H,223,271)(H,224,274)(H,225,272)(H,226,273)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,290,291)/t93-,94-,95-,96-,97-,98+,99+,107-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,145-,146-,147-,148-,149-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N[H])NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](CO[H])NC(=O)[C@H](CO[H])NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO[H])NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]([H])(NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](Cc1cn([H])cn1)N[H])[C@@H](C)O[H])[C@@H](C)O[H])C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@]([H])(C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cn([H])c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN[H])C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO[H])C(=O)N[C@@H](CO[H])C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO[H])C(=O)N[C@@H](CS[H])C(=O)O)C(C)C)[C@@H](C)CC	[H]NCCCCC(NC(=O)C(C)NC(=O)C(C)NC(=O)C(CCC(=O)N[H])NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(CO[H])NC(=O)C(CO[H])NC(=O)C(NC(=O)C(CC(=O)O)NC(=O)C(CO[H])NC(=O)C([H])(NC(=O)C(Cc1ccccc1)NC(=O)C([H])(NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(Cc1cn([H])cn1)N[H])C(C)O[H])C(C)O[H])C(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)NC([H])(C(=O)NC(C)C(=O)NC(Cc1cn([H])c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CCCCN[H])C(=O)NCC(=O)NCC(=O)N1CCCC1C(=O)NC(CO[H])C(=O)NC(CO[H])C(=O)NCC(=O)NC(C)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(CO[H])C(=O)NC(CS[H])C(=O)O)C(C)C)C(C)CC	OSHIGSJCNKZRNG-IQGNDCGWSA-N	.
PEP00177	SOR-C27	2957.321	C127H206N36O43S	1283.99	2955.47602	-14.8941	207	43	44	109	"InChI=1S/C127H206N36O43S/c1-62(2)44-77(142-94(170)55-137-93(169)54-139-104(183)74(33-36-97(174)175)146-123(202)102(67(11)167)161-115(194)83(52-100(180)181)152-113(192)81(50-92(132)168)151-117(196)86(57-164)157-118(197)87(58-165)156-111(190)79(46-64(5)6)148-105(184)71(26-15-18-38-128)141-95(171)56-138-103(182)70(131)32-35-96(172)173)109(188)159-89(60-207)119(198)144-72(27-16-19-39-129)106(185)145-75(34-37-98(176)177)107(186)150-80(48-68-24-13-12-14-25-68)112(191)149-78(45-63(3)4)110(189)155-85(49-69-53-135-61-140-69)125(204)163-43-23-31-91(163)121(200)158-88(59-166)116(195)143-73(28-17-20-40-130)108(187)160-101(66(9)10)122(201)153-82(51-99(178)179)114(193)154-84(47-65(7)8)124(203)162-42-22-30-90(162)120(199)147-76(126(205)206)29-21-41-136-127(133)134/h12-14,24-25,53,61-67,70-91,101-102,164-167,207H,15-23,26-52,54-60,128-131H2,1-11H3,(H2,132,168)(H,135,140)(H,137,169)(H,138,182)(H,139,183)(H,141,171)(H,142,170)(H,143,195)(H,144,198)(H,145,185)(H,146,202)(H,147,199)(H,148,184)(H,149,191)(H,150,186)(H,151,196)(H,152,192)(H,153,201)(H,154,193)(H,155,189)(H,156,190)(H,157,197)(H,158,200)(H,159,188)(H,160,187)(H,161,194)(H,172,173)(H,174,175)(H,176,177)(H,178,179)(H,180,181)(H,205,206)(H4,133,134,136)/t67-,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,101+,102+/m1/s1"	[H]NCCCC[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)N[H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO[H])C(=O)N[C@@H](CO[H])C(=O)N[C@@H](CC(=O)N[H])C(=O)N[C@@H](CC(=O)O)C(=O)N[C@]([H])(C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS[H])C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cn([H])cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO[H])C(=O)N[C@@H](CCCCN[H])C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)O)C(C)C)[C@@H](C)O[H]	[H]NCCCCC(NC(=O)CNC(=O)C(CCC(=O)O)N[H])C(=O)NC(CC(C)C)C(=O)NC(CO[H])C(=O)NC(CO[H])C(=O)NC(CC(=O)N[H])C(=O)NC(CC(=O)O)C(=O)NC([H])(C(=O)NC(CCC(=O)O)C(=O)NCC(=O)NCC(=O)NC(CC(C)C)C(=O)NC(CS[H])C(=O)NC(CCCCN[H])C(=O)NC(CCC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)NC(Cc1cn([H])cn1)C(=O)N1CCCC1C(=O)NC(CO[H])C(=O)NC(CCCCN[H])C(=O)NC(C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N[H])C(=O)O)C(C)C)C(C)O[H]	YIOQTNCGYDKDRC-JYRIOPDISA-N	.
PEP00178	TKPR	500.601	C21H40N8O6	252.48	500.307081	-3.0777	35	8	8	18	"InChI=1S/C21H40N8O6/c1-12(30)16(23)18(32)27-13(6-2-3-9-22)19(33)29-11-5-8-15(29)17(31)28-14(20(34)35)7-4-10-26-21(24)25/h12-16,30H,2-11,22-23H2,1H3,(H,27,32)(H,28,31)(H,34,35)(H4,24,25,26)/t12-,13+,14+,15+,16+/m1/s1"	[H]NCCCC[C@H](NC(=O)[C@@]([H])(N[H])[C@@H](C)O[H])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)O	[H]NCCCCC(NC(=O)C([H])(N[H])C(C)O[H])C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N[H])C(=O)O	IESDGNYHXIOKRW-YXMSTPNBSA-N	.
PEP00179	DPI-4452	1593.83	C70H96N16O21S3	614.52	1592.609807	-3.6685	110	19	22	24	"InChI=1S/C70H96N16O21S3/c1-36(2)24-47-65(100)85-59(37(3)88)69(104)81-49(28-41-30-75-45-15-5-4-14-43(41)45)63(98)82-51(31-87)66(101)83-52(60(73)95)34-108-32-39-11-6-12-40(25-39)33-109-35-53(84-61(96)44(71)18-20-55(72)89)67(102)77-46(19-21-57(91)92)70(105)86-22-8-16-54(86)68(103)80-50(29-58(93)94)64(99)79-48(62(97)78-47)27-38-10-7-13-42(26-38)76-56(90)17-9-23-110(74,106)107/h4-7,10-15,25-26,30,36-37,44,46-54,59,75,87-88H,8-9,16-24,27-29,31-35,71H2,1-3H3,(H2,72,89)(H2,73,95)(H,76,90)(H,77,102)(H,78,97)(H,79,99)(H,80,103)(H,81,104)(H,82,98)(H,83,101)(H,84,96)(H,85,100)(H,91,92)(H,93,94)(H2,74,106,107)/t37-,44+,46+,47+,48+,49+,50?,51+,52-,53+,54-,59-/m1/s1"	CC(C)C[C@@H]1NC(=O)[C@H](Cc2cccc(NC(=O)CCCS(N)(=O)=O)c2)NC(=O)C(CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(N)=O)CSCc2cccc(c2)CSC[C@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]([C@@H](C)O)NC1=O	CC(C)CC1NC(=O)C(Cc2cccc(NC(=O)CCCS(N)(=O)=O)c2)NC(=O)C(CC(=O)O)NC(=O)C2CCCN2C(=O)C(CCC(=O)O)NC(=O)C(NC(=O)C(N)CCC(N)=O)CSCc2cccc(c2)CSCC(C(N)=O)NC(=O)C(CO)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(C(C)O)NC1=O	OFRFBUOGJBOUFA-ICXOQSAKSA-N	.
PEP00180	SOR-C13	1565.841	C72H116N20O19	634.89	1564.872561	-4.1716	111	20	21	54	"InChI=1S/C72H116N20O19/c1-39(2)31-48(84-63(102)49(33-42-17-8-7-9-18-42)85-60(99)46(24-25-56(94)95)81-59(98)44(75)19-10-12-26-73)62(101)88-52(34-43-36-78-38-80-43)70(109)92-30-16-23-55(92)67(106)89-53(37-93)65(104)82-45(20-11-13-27-74)61(100)90-58(41(5)6)68(107)86-50(35-57(96)97)64(103)87-51(32-40(3)4)69(108)91-29-15-22-54(91)66(105)83-47(71(110)111)21-14-28-79-72(76)77/h7-9,17-18,36,38-41,44-55,58,93H,10-16,19-35,37,73-75H2,1-6H3,(H,78,80)(H,81,98)(H,82,104)(H,83,105)(H,84,102)(H,85,99)(H,86,107)(H,87,103)(H,88,101)(H,89,106)(H,90,100)(H,94,95)(H,96,97)(H,110,111)(H4,76,77,79)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,58-/m0/s1"	[H]NCCCC[C@H](N[H])C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cn([H])cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO[H])C(=O)N[C@@H](CCCCN[H])C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)O)C(C)C	[H]NCCCCC(N[H])C(=O)NC(CCC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)NC(Cc1cn([H])cn1)C(=O)N1CCCC1C(=O)NC(CO[H])C(=O)NC(CCCCN[H])C(=O)NC(C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N[H])C(=O)O)C(C)C	LGANPTNILMNMES-TVNHODDRSA-N	.
PEP00181	LDC10B	1099.188	C45H70N12O18S	509.39	1098.465174	-3.6845	76	18	16	39	"InChI=1S/C45H70N12O18S/c46-16-4-1-7-26(37(48)65)52-41(69)32(23-76)55-38(66)27(8-2-5-17-47)53-40(68)31(21-36(63)64)54-39(67)30(20-35(61)62)51-33(58)19-24-10-12-25(13-11-24)22-50-44(74)49-18-6-3-9-28(42(70)71)56-45(75)57-29(43(72)73)14-15-34(59)60/h10-13,26-32,76H,1-9,14-23,46-47H2,(H2,48,65)(H,51,58)(H,52,69)(H,53,68)(H,54,67)(H,55,66)(H,59,60)(H,61,62)(H,63,64)(H,70,71)(H,72,73)(H2,49,50,74)(H2,56,57,75)/t26-,27-,28-,29-,30-,31-,32-/m0/s1"	NCCCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)Cc1ccc(CNC(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)cc1)C(N)=O	NCCCCC(NC(=O)C(CS)NC(=O)C(CCCCN)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)Cc1ccc(CNC(=O)NCCCCC(NC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)cc1)C(N)=O	BODYDEMPLJEKCD-YYGRSCHNSA-N	.
PEP00182	ALM-488 Peptide	1952.201	C91H134N22O26	783.57	1950.983962	-6.3427	139	26	27	59	"InChI=1S/C91H134N22O26/c1-47(2)74(88(136)102-59(18-10-12-36-93)79(127)100-58(17-9-11-35-92)80(128)108-66(46-115)85(133)107-65(45-114)78(126)99-44-71(120)98-43-70(96)119)110-89(137)75(48(3)4)109-84(132)63(40-51-23-27-54(117)28-24-51)104-82(130)62(39-50-21-25-53(116)26-22-50)105-86(134)67-19-13-37-112(67)90(138)61(31-34-73(123)124)103-81(129)60(30-33-72(121)122)101-83(131)64(41-52-42-97-57-16-8-7-15-55(52)57)106-87(135)68-20-14-38-113(68)91(139)76(49(5)6)111-77(125)56(94)29-32-69(95)118/h7-8,15-16,21-28,42,47-49,56,58-68,74-76,97,114-117H,9-14,17-20,29-41,43-46,92-94H2,1-6H3,(H2,95,118)(H2,96,119)(H,98,120)(H,99,126)(H,100,127)(H,101,131)(H,102,136)(H,103,129)(H,104,130)(H,105,134)(H,106,135)(H,107,133)(H,108,128)(H,109,132)(H,110,137)(H,111,125)(H,121,122)(H,123,124)/t56-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,74-,75-,76-/m0/s1"	CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CCC(N)=O)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(N)=O)C(C)C	CC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C1CCCN1C(=O)C(NC(=O)C(N)CCC(N)=O)C(C)C)C(=O)NC(C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(CO)C(=O)NCC(=O)NCC(N)=O)C(C)C	HKRXOQIPBAIYEG-ZAGHMLERSA-N	.
PEP00183	RWRWRWRW	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00184	WRWRWRWRWK	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00185	CGRKKRRQRRRPPQ	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00186	CGRKKRRQRRPPQ	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00187	AKKRRQRRRAKKRRQRRR	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00188	CRRRRRRRRGGGPKKKKKK	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00189	HAIYPRHGGCGMPKKKPTPIQLNP	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00190	XNRG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00191	GTGVP	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00192	GDGVP	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00193	GFGVP	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00194	GYGVP	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00195	GWGVP	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00196	GFLGTKPPR	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00197	TKPPR	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00198	GFLGTKPR	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00199	GFLGTKPKG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00200	TKPKG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00201	TKPRTKPKGTKPKG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00202	TKPKGTKPKG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00203	TKPKGTKPKGTKPKGTKPKG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00204	GFLGTKPKGTKPKGTKPKGTKPKG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00205	FRARXRARXRAR	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00206	RXRXRX	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00207	XRXRXRX	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00208	RXRX	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00209	XRRR	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00210	XGLRKRLRKFRNKIKEK	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00211	XFXGX	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00212	GXXXXXXXXXXXXX	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00213	GTRSSRAGLQFPVGRVHRLLRK	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00214	AGIGKFLHSAKKFGKAFVGEILNS	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00215	AIGKFLHSAKKFGKAFVGEILNS	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00216	XGIGKFLHSAKKFGKAFVGEILNS	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00217	GIGKFLHSAKKF	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00218	GIGKALHSAKKFGKAFVGEILNS	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00219	AXAXAXAXAXAXAXA	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00220	GIGKFLHSAKKFGKAFVGEILNS	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00221	GPLGVRGA	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00222	XGPLGVRGA	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00223	XGGX	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00224	XHWKHDWKPG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00225	XHWSHDWKPG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00226	XRKI	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00227	XRGD	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00228	KKLFKKILKKL	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00229	QQRFEXEFEQQ	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00230	QQXFXXXFQQQ	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00231	SFFYLRS	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00232	GGGPKKKRKVGG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00233	GGGPKKKXKVGG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00234	KTTKS	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00235	QACKGKIQALCENG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00236	RIKPHQGQHIGQFPQIM	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00237	AAGYLLGKINLKALAALAKKIL	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00238	AMVTVLFRRLRIRRASGPPRVRV	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00239	ALLIILRRRIRKQAHAHSK	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00240	GILKEPVHGA	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00241	EGFLG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00242	XGFLG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00243	EVTCVVVD	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00244	AXAXQAXAX	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00245	QAXAX	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00246	RGDFRGDF	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00247	RGDVRGDV	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00248	RGDSRGDS	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00249	CPRGGSVC	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00250	GANPNAAG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00251	NXGPKKKRKV	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00252	GPLGIAGQ	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00253	CTVALPGGYVRVCVXVX	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00254	DFKRG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00255	AKPGKKKPGK	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00256	GPKKKRKV	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00257	SGRGKGGKGCGKGGAKRHRK	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00258	AFGSAFG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00259	FGSFG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00260	WTGWCLNPEESTWGFCTGSF	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00261	ACKGGGGXQ	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00262	GGGGXQACK	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00263	SATSSSGSGS	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00264	NSATSSSGSGS	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00265	KXCKXC	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00266	ECRGDS	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00267	CRGDR	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00268	XRRRRRRRR	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00269	YIYGSFK	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00270	AIYKYY	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00271	AEEEIYGEFEAKKKK	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00272	IYGEFKKK	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00273	EIYGEFKK	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00274	EEIYGEFF	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00275	CIYKYY	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00276	CYKYY	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00277	IYKYY	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00278	FDFLPENE	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00279	FLPENE	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00280	AKLVFF	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00281	KKKKKKKK	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00282	LPKTGGGGG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00283	LPKTGGGWW	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00284	LPKTGGYRR	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00285	LPKTGGWRR	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00286	LPKTGGVRR	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00287	LPKTGGTRR	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00288	LPKTGGSRR	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00289	LPKTGGRRR	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00290	LPKTGGQRR	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00291	LPKTGGPRR	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00292	LPKTGGNRR	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00293	LPKTGGMRR	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00294	LPKTGGLRR	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00295	LPKTGGKRR	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00296	LPKTGGIRR	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00297	LPKTGGHRR	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00298	LPKTGGGRR	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00299	LPKTGGFRR	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00300	LPKTGQRR	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00301	LPKTGLRR	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00302	LTVSPWY	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00303	NVPGNVPG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00304	FKKKKKKKKK	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00305	FKEEEEGGGS	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00306	FKPKKKRKV	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00307	ARGDX	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00308	AXGDX	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00309	DXAXG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00310	ANFPI	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00311	GRRRQRRKKRGGC	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00312	CGGRKKRRQRRR	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00313	GGRRKKRRQRRR	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00314	GKRKKKGKLGKKRPRSRC	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00315	SRRARRSPRHLGSGC	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00316	CVKRGLKLRHVRPRVTRMDV	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00317	XRGDF	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00318	XRGDS	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00319	XXGDF	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00320	XXGDV	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00321	XXGDS	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00322	FQGII	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00323	FQGIIX	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00324	GIIX	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00325	XYQWAVGHLM	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00326	EYQWAVGHLM	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00327	GWS	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00328	EGFLGC	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00329	GPLGPAG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00330	GPLGV	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00331	GPLG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00332	XASXQSL	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00333	GRRRRRRRR	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00334	CGYGPKKKRKVGG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00335	QRPAK	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00336	GRPAK	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00337	ARPAK	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00338	RPAK	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00339	NAQASAQSAY	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00340	XGRKKRRQRRR	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00341	QRKKRRWRRR	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00342	QRKKRRHRRR	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00343	QRKKRRGRRR	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00344	GRKKRRQRRR	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00345	HRKKRRQRRR	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00346	WRKKRRQRRR	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00347	GAGAG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00348	ALEKEVAALEKENAALEKEVAALEKEVAGK	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00349	ALEKEVAALEKENAALEKEVAALEKEVAGGC	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00350	CGGALEKEVAALEKENAALEKEVAALEKEVA	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00351	RRLSYSRRRF	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00352	RRRRRRRRG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00353	XXXXXXXXG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00354	LRRAXLG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00355	GAQVWGFSAK	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00356	KAQSWGKSAK	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00357	GLKKG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00358	XKKKL	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00359	XKKKKL	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00360	FYPAAKG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00361	FYPWMKG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00362	XFWSYKLRPG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00363	CKVSVKV	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00364	CKVKV	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00365	GSXYSCFWKTCT	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00366	AGYAG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00367	AGKAG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00368	AGAAG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00369	GAKYKG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00370	ARYRG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00371	AKYKG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00372	AKSKG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00373	AKKKG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00374	AKHKG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00375	AKEKG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00376	AKAKG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00377	XSSGQSSP	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00378	XSSGQSP	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00379	XSSGQSG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00380	XSSGQSL	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00381	XKTRTRS	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00382	XFRHR	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00383	XKRSR	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00384	XRKKV	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00385	PASXQSL	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00386	KASXQSL	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00387	XASYQSL	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00388	KASYQSL	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00389	XYQSSSL	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00390	KYQSSSL	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00391	ANKASYQSSL	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00392	ANKASYQSSSL	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00393	ANKASYQSASL	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00394	GCMGAPC	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00395	GCFGLPC	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00396	GCAGLPC	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00397	GCFGLP	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00398	GCAGLP	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00399	GCFGL	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00400	GCAGL	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00401	GCMGA	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00402	GCMGLP	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00403	GCMGL	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00404	GCMGLPC	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00405	GGCPC	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00406	DGDXG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00407	DGEXG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00408	TTNYT	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00409	ARHTDYK	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00410	[C(WR)4K2(b-A)]	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00411	22-mer peptide	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00412	Activable cell-penetrating peptide (ACCP)	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00413	Alanyl-oligovaline 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00414	Alanyl-oligovaline 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00415	Alanyl-oligovaline 3	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00416	Alanyl-oligovaline 4	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00417	Alanyl-oligovaline 5	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00418	Alanyl-oligovaline 6	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00419	Alanyl-oligovaline 7	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00420	Alkynylptides 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00421	Alkynylptides 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00422	Amphipathic signal-nuclear localization peptide combination	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00423	Amyloid disrupting peptide	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00424	Amyloid-beta C-terminal motif 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00425	Amyloid-beta C-terminal motif 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00426	Amyloid-beta C-terminal motif 3	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00427	Amyloid-beta C-terminal motif 4	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00428	Amyloid-beta C-terminal motif 5	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00429	Amyloid-beta C-terminal motif 6	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00430	Amyloid-beta C-terminal motif 7	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00431	Amyloid-beta C-terminal motif 8	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00432	Amyloid-beta C-terminal motif 9	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00433	Amyloid-beta C-terminal motif 10	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00434	Amyloid-beta C-terminal motif 11	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00435	Antibacterial peptide 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00436	Antibacterial peptide 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00437	Antimicrobial peptide Cm-p5 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00438	Antimicrobial peptide Cm-p5 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00439	Antimicrobial peptide Cm-p5 3	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00440	Antimicrobial peptide Cm-p5 4	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00441	Antimicrobial peptides (AMP) 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00442	Antimicrobial peptides (AMP) 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00443	Antimicrobial peptides (AMP) 3	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00444	Antimicrobial peptides (AMP) 4	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00445	Antimicrobial peptides (AMP) 5	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00446	Autoinducing peptide (AIP) 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00447	Autoinducing peptide (AIP) 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00448	Autoinducing peptide (AIP) 3	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00449	Azidopeptides 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00450	Azidopeptides 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00451	Azidopeptides 3	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00452	Azidopeptides 4	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00453	Azidopeptides 5	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00454	Azidopeptides 6	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00455	Azidopeptides 7	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00456	Azidopeptides 8	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00457	Azidopeptides 9	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00458	Azidopeptides 10	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00459	Azidopeptides 11	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00460	Azidopeptides 12	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00461	Azidopeptides 13	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00462	Azidopeptides 14	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00463	Azidopeptides 15	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00464	Azidopeptides 16	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00465	Azidopeptides 17	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00466	Bim-BH3 domain core region	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00467	Bombesin	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00468	Bombesin (BBN) fragment	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00469	Bombesin receptor ligand peptide 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00470	Bombesin receptor ligand peptide 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00471	Bombesin receptor ligand peptide 3	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00472	Cationic antimicrobial peptides (CAMP) 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00473	Cationic antimicrobial peptides (CAMP) 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00474	Cationic antimicrobial peptides (CAMP) 3	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00475	Cationic antimicrobial peptides (CAMP) 4	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00476	Cell division cycle 6 (CDC6)	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00477	Cell-penetrating octaarginine and lung-targeting peptide	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00478	Cell-penetrating peptide BP16	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00479	Cell-penetrating peptide BP17	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00480	Cell-penetrating peptide BP18	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00481	Cell-penetrating peptide BP19	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00482	Cell-penetrating peptide BP20	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00483	Cell-penetrating peptide BP21	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00484	Cell-penetrating peptide BP22	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00485	Cell-penetrating peptide BP23	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00486	Cell-penetrating peptide BP24	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00487	Cell-penetrating peptide BP25	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00488	"CIBR peptide (Intercellular adhesion molecule-1 (ICAM-1) fragment), dimer"	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00489	"CIBR peptide (Intercellular adhesion molecule-1 (ICAM-1) fragment), monomer 1"	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00490	"CIBR peptide (Intercellular adhesion molecule-1 (ICAM-1) fragment), monomer 2"	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00491	"CIBR peptide (Intercellular adhesion molecule-1 (ICAM-1) fragment), monomer 3"	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00492	CPP2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00493	Designed oligopeptides 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00494	Designed oligopeptides 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00495	Designed oligopeptides 3	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00496	Designed oligopeptides 4	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00497	VI	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00498	VF	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00499	AA	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00500	VA	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00501	VG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00502	IV	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00503	FV	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00504	GV	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00505	AV	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00506	VV	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00507	Dipeptide 11	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00508	Dipeptide 12	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00509	Dipeptide 13	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00510	Dipeptide 14	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00511	Dipeptide 15	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00512	Dipeptide 16	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00513	Dipeptide 17	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00514	Dipeptide 18	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00515	Dipeptide 19	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00516	Dipeptide 20	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00517	Dipeptide 21	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00518	Dipeptide 22	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00519	Dipeptide 23	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00520	Dipeptide 24	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00521	Dipeptide 25	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00522	Dipeptide 26	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00523	Dipeptide 27	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00524	Dipeptide 28	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00525	Dipeptide 29	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00526	Dipeptide 30	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00527	Dipeptide 31	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00528	Dipeptide 32	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00529	Dipeptide 33	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00530	Dipeptide 34	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00531	Dipeptide 35	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00532	Dipeptide 36	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00533	Dipeptide 37	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00534	Dipeptide 38	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00535	Dipeptide 39	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00536	Dipeptide 40	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00537	Dipeptide 41	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00538	Dipeptide 42	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00539	Dipeptide 43	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00540	Dipeptide 44	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00541	Dipeptide 45	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00542	Dipeptide 46	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00543	Diprolyl-oligoalanin 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00544	Diprolyl-oligoalanin 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00545	Diprolyl-oligoalanin 3	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00546	Diprolyl-oligoalanin 4	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00547	Diprolyl-oligoalanin 5	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00548	Diprolyl-oligoalanin 6	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00549	Diprolyl-oligoalanin 7	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00550	Dodecapeptide	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00551	Edotreotide (TOC)	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00552	EGFR-binding peptide (EBP)	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00553	Elastin (fragment) 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00554	Elastin (fragment) 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00555	Elastin-base peptide 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00556	Elastin-base peptide 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00557	Endothelial cell epitope	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00558	Ephrin type-A receptor 2 (EphA2) targeting peptide 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00559	Ephrin type-A receptor 2 (EphA2) targeting peptide 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00560	Ephrin type-A receptor 2 (EphA2) targeting peptide 3	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00561	ErbB-2-binding peptide	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00562	Functionalized peptide epitope 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00563	Functionalized peptide epitope 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00564	G3-C12 peptide 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00565	G3-C12 peptide 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00566	Galectin-3 targeting peptide (G3-C12)	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00567	Glu-AQ 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00568	Glu-AQ 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00569	Glu-AQ 3	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00570	Glu-AQ 4	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00571	Glu-AQ 5	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00572	Glu-AQ 6	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00573	Glu-AQ 7	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00574	Glutamic acid oligopeptide 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00575	Glutamic acid oligopeptide 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00576	Glutamic acid oligopeptide 3	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00577	GranF2 granulysin	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00578	Heptapeptide 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00579	Heptapeptide 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00580	Hexapeptide 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00581	Hexapeptide 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00582	Hexapeptide 3	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00583	Hexapeptide 4	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00584	Hexapeptide 5	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00585	Hexapeptide 6	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00586	Hexapeptide 7	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00587	Hexapeptide 8	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00588	Hexapeptide 9	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00589	Hexapeptide 10	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00590	Hexapeptide 11	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00591	Hexapeptide 12	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00592	"Hexapeptide, cyclic 1"	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00593	"Hexapeptide, cyclic 2"	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00594	"Hexapeptide, cyclic 3"	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00595	Hexarginin 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00596	Hexarginin 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00597	High-affinity DNA binding peptide HyM10	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00598	High-affinity DNA binding peptide HyQ10	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00599	Inhibitor peptide 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00600	Inhibitor peptide 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00601	Inhibitor peptide 3	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00602	Inhibitor peptide 4	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00603	Inhibitor peptide 5	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00604	Inhibitor peptide 6	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00605	Inhibitor peptide 7	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00606	Inhibitor peptide 8	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00607	Inhibitor peptide 9	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00608	Ketone containing peptide 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00609	Ketone containing peptide 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00610	KK (plasma membrane delivery)	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00611	Linear arginineglycineaspartic acid (RGD)	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00612	Linear asparagineglycinearginine (NGR) 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00613	Linear asparagineglycinearginine (NGR) 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00614	Lipopolysaccharide (LPS) binding antimicrobial peptide YI13WF	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00615	Lung-targeting peptide	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00616	Lysosomally degradable peptide 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00617	Lysosomally degradable peptide 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00618	Lysosomally degradable peptide 3	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00619	Lysosomally degradable peptide 4	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00620	Lytic peptides 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00621	Lytic peptides 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00622	Lytic peptides 3	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00623	Lytic peptides 4	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00624	Lytic peptides 5	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00625	Lytic peptides 6	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00626	Melanocortin receptor 1 (MC1R) antagonist peptide 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00627	Melanocortin receptor 1 (MC1R) antagonist peptide 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00628	Melanocortin receptor 1 (MC1R) antagonist peptide 3	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00629	Melanocortin receptor 1 (MC1R) antagonist peptide 4	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00630	Melanocortin receptor 1 (MC1R) antagonist peptide 5	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00631	Melanocortin receptor 1 (MC1R) antagonist peptide 6	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00632	Melanocortin receptor 1 (MC1R) antagonist peptide 7	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00633	Melanocortin receptor 1 (MC1R) antagonist peptide 8	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00634	Model major histocompatibility complex (MHC)-binding peptide antigen 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00635	Model major histocompatibility complex (MHC)-binding peptide antigen 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00636	Model peptide 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00637	Model peptide 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00638	Modified ternatin 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00639	Modified ternatin 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00640	Modified ternatin 3	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00641	Modified ternatin 4	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00642	Modified ternatin 5	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00643	Neuropeptide Y (NPY)	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00644	Neuropeptide Y derivative	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00645	Nonapeptide 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00646	Nonapeptide 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00647	Nonapeptide 3	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00648	Nonapeptide 4	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00649	NoxaBH3	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00650	N-terminal aldehyde peptide 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00651	N-terminal aldehyde peptide 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00652	N-terminal aldehyde peptide 3	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00653	Nuclear localization sequence of human NK-kappaB (NTP)	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00654	Nuclear localization sequences (NLS) 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00655	Nuclear localization sequences (NLS) 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00656	Octaarginine	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00657	Octapeptide 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00658	Octapeptide 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00659	Octapeptide 3	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00660	Octapeptide 4	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00661	Octapeptide recognized and cleaved by MMP2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00662	Octapeptide recognized and cleaved by MMP3	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00663	Octapeptide recognized and cleaved by MMP4	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00664	Octarginin 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00665	Octarginin 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00666	O-GlcNAc transferase fragment	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00667	Oligoglycin 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00668	Oligoglycin 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00669	Oligoglycin 3	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00670	Oligoglycin 4	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00671	Oligoleucin 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00672	Oligoleucin 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00673	Oligoleucin 3	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00674	Oligoleucin 4	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00675	Oligoleucin 5	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00676	Oligoleucin 6	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00677	Oligopeptide 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00678	Oligopeptide 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00679	Oligopeptide 3	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00680	Oligopeptide 4	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00681	Oligopeptide 5	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00682	Oligopeptide 6	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00683	Oligopeptide 7	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00684	Oligopeptide 8	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00685	Oligopeptide 9	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00686	Oligopeptide 10	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00687	Oligopeptide 11	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00688	Oligopeptide 12	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00689	Oligopeptide 13	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00690	Oligopeptide 14	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00691	Oligopeptide 15	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00692	Oligopeptide 16	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00693	Oligopeptide 17	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00694	Oligopeptide 18	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00695	Oligopeptide 19	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00696	Oligopeptide 20	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00697	Oligopeptide 21	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00698	Oligophenylalanin 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00699	Oligophenylalanin 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00700	Oligophenylalanin 3	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00701	Oligophenylalanin 4	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00702	Oligophenylalanin 5	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00703	Oligovalin 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00704	Oligovalin 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00705	Oligovalin 3	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00706	Oligovalin 4	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00707	Oligovalin 5	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00708	Oligovalin 6	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00709	OT20 tuftsin	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00710	Partially truncated AP-1-like peptide 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00711	Partially truncated AP-1-like peptide 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00712	Partially truncated AP-1-like peptide 3	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00713	Partially truncated AP-1-like peptide 4	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00714	Partially truncated AP-1-like peptide 5	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00715	Partially truncated AP-1-like peptide 6	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00716	Partially truncated AP-1-like peptide 7	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00717	Partially truncated AP-1-like peptide 8	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00718	Penetratin	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00719	Penetratin (fragment)	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00720	Penetratin fragment	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00721	Penetratine 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00722	Penetratine 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00723	Penetratine 3	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00724	Pentapeptide 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00725	Pentapeptide 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00726	Pentapeptide 3	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00727	Pentapeptide 4	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00728	Pentapeptide 5	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00729	Pentapeptide 6	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00730	Pentapeptide 7	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00731	Pentapeptide 8	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00732	Pentapeptide 9	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00733	Pentapeptide 10	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00734	Pentapeptide 11	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00735	Pentapeptide 12	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00736	Pentapeptide generated by plasmin degradation from the fibrinogen beta chain 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00737	Pentapeptide generated by plasmin degradation from the fibrinogen beta chain 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00738	Pentapeptide generated by plasmin degradation from the fibrinogen beta chain 3	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00739	Pentapeptide generated by plasmin degradation from the fibrinogen beta chain 4	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00740	Pentapeptide generated by plasmin degradation from the fibrinogen beta chain 5	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00741	Pentapeptide generated by plasmin degradation from the fibrinogen beta chain 6	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00742	Pentapeptide generated by plasmin degradation from the fibrinogen beta chain 7	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00743	Pentapeptide generated by plasmin degradation from the fibrinogen beta chain 8	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00744	Pentapeptide generated by plasmin degradation from the fibrinogen beta chain 9	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00745	Pentapeptide generated by plasmin degradation from the fibrinogen beta chain 10	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00746	"Pentapeptide, linear 1"	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00747	"Pentapeptide, linear 2"	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00748	Peptide 26	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00749	Peptide substrate	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00750	Poliargine (R8) 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00751	Poliargine (R8) 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00752	Poliargine (R8) 3	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00753	Poliargine (R8) 4	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00754	Polyarginin 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00755	Polyarginin 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00756	Polyarginin 3	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00757	Polyarginine 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00758	Polyarginine 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00759	Polyarginine 3	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00760	Polyarginine 4	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00761	Polyarginine 5	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00762	Polyarginine 6	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00763	Polyarginine 7	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00764	PPQ	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00765	Somatostatin backbone cyclic analog	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00766	Somatostatin receptor ligand peptide 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00767	Somatostatin receptor ligand peptide 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00768	SV40 (nucleus delivery)	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00769	SV40 nuclear transport signal peptide analog	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00770	T2635-truncated peptide (HIV-1 fusion inhibitor) 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00771	T2635-truncated peptide (HIV-1 fusion inhibitor) 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00772	T2635-truncated peptide (HIV-1 fusion inhibitor) 3	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00773	TAT	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00774	Tat (lysosome delivery)	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00775	TAT49-57	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00776	TAT-analogue 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00777	TAT-analogue 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00778	TAT-analogue 3	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00779	TAT-analogue 4	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00780	TATE	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00781	Tetrapeptide 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00782	Tetrapeptide 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00783	Tetrapeptide 3	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00784	Tetrapeptide 4	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00785	Tetrapeptide 5	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00786	Tetrapeptide 6	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00787	Tetrapeptide 7	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00788	Tetrapeptide 8	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00789	Tetrapeptide 9	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00790	Tetrapeptide 10	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00791	Tetrapeptide 11	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00792	Tetrapeptide 12	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00793	Tetrapeptide 13	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00794	Tetrapeptide 14	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00795	Tetrapeptide 15	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00796	Tetrapeptide 16	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00797	Tetrapeptide 17	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00798	Tetrapeptide 18	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00799	Tetrapeptide 19	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00800	Tetrapeptide 20	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00801	Tetrapeptide 21	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00802	Tetrapeptide 22	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00803	Tetrapeptide 23	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00804	Tetrapeptide 24	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00805	Tetrapeptide 25	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00806	Tetrapeptide 26	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00807	Tetrapeptide 27	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00808	Tetrapeptide 28	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00809	Tetrapeptide 29	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00810	Tetrapeptide 30	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00811	Tetrapeptide 31	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00812	Tetrapeptide 32	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00813	Tetrapeptide 33	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00814	Tetrapeptide 34	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00815	Tetrapeptide 35	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00816	Tetrapeptide 36	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00817	Tetrapeptide 37	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00818	Tetrapeptide 38	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00819	Tetrapeptide 39	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00820	Tetrapeptide 40	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00821	Tetrapeptide 41	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00822	Tetrapeptide 42	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00823	Tetrapeptide 43	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00824	Tetrapeptide 44	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00825	Tetrapeptide 45	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00826	Tetrapeptide 46	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00827	Tetrapeptide 47	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00828	Tetrapeptide 48	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00829	Tetrapeptide 49	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00830	Tetrapeptide 50	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00831	Tetrapeptide 51	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00832	Tetrapeptide 52	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00833	Tetrapeptide 53	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00834	Tetrapeptide 54	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00835	Tetrapeptide 55	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00836	Tetrapeptide 56	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00837	Tetrapeptide 57	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00838	Tetrapeptide 58	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00839	Tetrapeptide 59	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00840	Tetrapeptide 60	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00841	Tetrapeptide 61	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00842	Tetrapeptide 62	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00843	Tetrapeptide 63	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00844	Tetrapeptide 64	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00845	Tetrapeptide 65	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00846	Tetrapeptide 66	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00847	Tetrapeptide 67	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00848	Tetrapeptide 68	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00849	Tetrapeptide 69	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00850	Tetrapeptide 70	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00851	Tetrapeptide 71	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00852	Tetrapeptide 72	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00853	Tetrapeptide 73	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00854	Tetrapeptide 74	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00855	Tetrapeptide+dipeptide	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00856	Transferrin receptor binding peptide	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00857	Transferrin receptor binding peptide lo (TfR-Pl)ng	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00858	Transferrin receptor binding peptide short (TfR-Ps)	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00859	Transportan	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00860	Tridecaptin A1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00861	Tripeptide 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00862	Tripeptide 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00863	Tripeptide 3	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00864	Tripeptide 4	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00865	Tripeptide 5	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00866	Tripeptide 6	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00867	Tripeptide 7	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00868	Tripeptide 8	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00869	Tripeptide 9	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00870	Tripeptide 10	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00871	Tripeptide 11	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00872	Tripeptide 12	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00873	Tripeptide 13	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00874	Tripeptide 14	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00875	Tripeptide 15	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00876	Tripeptide 16	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00877	Tripeptide 17	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00878	Tripeptide 18	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00879	Tripeptide 19	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00880	Tripeptide 20	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00881	Tripeptide 21	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00882	Tripeptide 22	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00883	Tripeptide 23	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00884	Tripeptide 24	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00885	Tripeptide 25	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00886	Tripeptide 26	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00887	Tripeptide 27	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00888	Tripeptide 28	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00889	Tripeptide 29	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00890	Tripeptide 30	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00891	Tripeptide 31	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00892	Tripeptide 32	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00893	Tripeptide 33	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00894	Tripeptide 34	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00895	Tripeptide 35	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00896	Tripeptide 36	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00897	Tripeptide 37	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00898	Tripeptide 38	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00899	Tripeptide 39	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00900	Tripeptide 40	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00901	Tripeptide 41	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00902	Tripeptide 42	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00903	Tripeptide 43	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00904	Tripeptide 44	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00905	Tripeptide 45	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00906	Tripeptide 46	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00907	Tripeptide 47	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00908	Tripeptide 48	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00909	Tripeptide 49	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00910	Tripeptide 50	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00911	Tripeptide 51	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00912	Tripeptide 52	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00913	Tripeptide 53	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00914	Tripeptide 54	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00915	Tripeptide 55	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00916	Tripeptide 56	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00917	Tripeptide 57	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00918	Tripeptide 58	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00919	Tripeptide 59	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00920	Tripeptide 60	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00921	Tripeptide 61	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00922	Tripeptide 62	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00923	Tripeptide 63	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00924	Tripeptide 64	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00925	Tripeptide 65	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00926	Tripeptide 66	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00927	Tripeptide 67	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00928	Tripeptide 68	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00929	Tripeptide 69	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00930	Tripeptide 70	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00931	Tripeptide 71	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00932	Tripeptide 72	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00933	Tripeptide 73	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00934	Tripeptide 74	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00935	Tripeptide 75	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00936	Tripeptide 76	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00937	Tripeptide 77	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00938	Tripeptide 78	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00939	Tripeptide 79	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00940	Tripeptide 80	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00941	Tripeptide 81	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00942	Tripeptide 82	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00943	Tripeptide 83	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00944	Tripeptide 84	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00945	Tripeptide 85	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00946	Tripeptide 86	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00947	Tripeptide 87	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00948	Tripeptide 88	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00949	Tripeptide 89	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00950	Tripeptide 90	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00951	Tripeptide 91	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00952	Tripeptide 92	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00953	Tripeptide 93	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00954	Tripeptide 94	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00955	Tripeptide 95	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00956	Tripeptide 96	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00957	Tripeptide 97	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00958	Tripeptide 98	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00959	Tripeptide 99	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00960	Tripeptide 100	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00961	Tripeptide 101	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00962	Tripeptide 102	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00963	Tripeptide 103	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00964	Tripeptide 104	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00965	Tripeptide 105	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00966	Tripeptide 106	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00967	Tripeptide 107	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00968	Tripeptide 108	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00969	Tripeptide 109	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00970	Tripeptide 110	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00971	Tripeptide 111	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00972	Tripeptide 112	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00973	Tripeptide 113	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00974	Tripeptide 114	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00975	Tripeptide 115	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00976	Tripeptide 116	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00977	Tripeptide 117	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00978	Tripeptide 118	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00979	Tripeptide 119	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00980	Tripeptide 120	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00981	Tripeptide 121	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00982	Tripeptide 122	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00983	Tripeptide 123	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00984	Tripeptide 124	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00985	Tripeptide 125	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00986	Tripeptide 126	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00987	Tripeptide 127	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00988	Tripeptide 128	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00989	Tripeptide 129	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00990	Tripeptide 130	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00991	Tripeptide 131	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00992	"Tripeptide, linear"	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00993	Tuftsin	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00994	Tuftsin (liberated from the Fc domain of the heavy chain of IgG 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00995	Tuftsin (liberated from the Fc domain of the heavy chain of IgG 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00996	Tuftsin (liberated from the Fc domain of the heavy chain of IgG 3	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00997	Tuftsin (liberated from the Fc domain of the heavy chain of IgG 4	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00998	Ubiquicidin (UBI) 31-38	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP00999	Unnatural heptapeptide 1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01000	Unnatural heptapeptide 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01001	Unnatural heptapeptide 3	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01002	Unnatural heptapeptide 4	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01003	Vasoactive intestinal peptide (VIP) fragment	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01004	YVG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01005	&Alpha;-helical peptide	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01006	Synovial homing peptide (L)	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01007	Synovial homing peptide (C)	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01008	CM8	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01009	CM7	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01010	ELRGG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01011	Cyclo-GCGPep1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01012	BPP	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01013	LLC2B	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01014	CWRWRKWRWR	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01015	TP1-cCPP	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01016	TP2-cCPP	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01017	R-C12	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01018	RGD	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01019	NGR	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01020	Threonine	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01021	Glycine	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01022	Phenylalanine	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01023	Tryptophan	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01024	Tyrosine	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01025	GGAP	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01026	GGIP	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01027	GGFP	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01028	GVGVP	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01029	GFGFP	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01030	GEGFPGVGVPGVGVPGVGVPGFGFPGFGFP	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01031	GEGFPGVGVPGVGFPGFGFPGVGVPGVGFP	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01032	LFX 8a	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01033	LFX 10a	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01034	LFX 8b	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01035	LFX 8c	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01036	LFX 8d	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01037	LFX 8e	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01038	LFX 8f	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01039	LFX 8g	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01040	LFX 8h	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01041	LFX 8i	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01042	LFX 8j	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01043	LFX 8k	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01044	LFX 8l	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01045	LFW	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01046	GFW	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01047	PFW	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01048	VFW	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01049	AFW	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01050	FFW	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01051	IFW	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01052	WFW	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01053	TFW	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01054	HFW	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01055	KFW	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01056	QFW	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01057	NFW	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01058	SFW	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01059	YFW	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01060	RFW	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01061	DFW	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01062	EFW	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01063	Hydrophilic PD-L1 antagonist D1	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01064	GFFpY	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01065	TP10-7-NH<sub>2</sub>	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01066	TP10-NH<sub>2</sub>	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01067	LFcinB(2-11)-NH<sub>2</sub>	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01068	"LFcinB[Nle<sup>1,11</sup>]-NH<sub>2</sub>"	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01069	HLopt2-NH<sub>2</sub>	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01070	Poly-aspartic acid polypeptide	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01071	SynB3	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01072	TTP-CPP	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01073	FFFK	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01074	KIGLFRWR	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01075	SMAC-FRRG	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01076	R-lycosin-I	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01077	iRGD	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01079	DPV1047	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01080	DPV10	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01081	DPV7b	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01082	[C<sup>15</sup>]-NPY	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01083	Branched neurotensin (NT4)	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01084	GCKSYR	712.831	C29H48N10O9S	339.7	712.3326441	-4.4933	49	13	12	28	"InChI=1S/C29H48N10O9S/c30-10-2-1-4-18(36-27(46)22(15-49)35-23(42)13-31)24(43)39-21(14-40)26(45)38-20(12-16-6-8-17(41)9-7-16)25(44)37-19(28(47)48)5-3-11-34-29(32)33/h6-9,18-22,40-41,49H,1-5,10-15,30-31H2,(H,35,42)(H,36,46)(H,37,44)(H,38,45)(H,39,43)(H,47,48)(H4,32,33,34)/t18-,19-,20-,21-,22-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CS[H])NC(=O)CN[H])C(=O)N[C@@H](CO[H])C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)O	[H]NCCCCC(NC(=O)C(CS[H])NC(=O)CN[H])C(=O)NC(CO[H])C(=O)NC(Cc1ccc(O[H])cc1)C(=O)NC(CCCN=C(N)N[H])C(=O)O	DHNXLKBADUDTLM-YFNVTMOMSA-N	.
PEP01085	GCASYR	655.735	C26H41N9O9S	313.68	655.2747949	-4.6024	45	12	11	23	"InChI=1S/C26H41N9O9S/c1-13(31-24(42)19(12-45)32-20(38)10-27)21(39)35-18(11-36)23(41)34-17(9-14-4-6-15(37)7-5-14)22(40)33-16(25(43)44)3-2-8-30-26(28)29/h4-7,13,16-19,36-37,45H,2-3,8-12,27H2,1H3,(H,31,42)(H,32,38)(H,33,40)(H,34,41)(H,35,39)(H,43,44)(H4,28,29,30)/t13-,16-,17-,18-,19-/m0/s1"	[H]NCC(=O)N[C@@H](CS[H])C(=O)N[C@@H](C)C(=O)N[C@@H](CO[H])C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)O	[H]NCC(=O)NC(CS[H])C(=O)NC(C)C(=O)NC(CO[H])C(=O)NC(Cc1ccc(O[H])cc1)C(=O)NC(CCCN=C(N)N[H])C(=O)O	UKUQBAMZIGKQBK-CTXVOCDESA-N	.
PEP01086	GRDWQSCMEYKTHN	1754.93	C73H107N23O24S2	797.98	1753.730073	-9.3108	122	28	27	63	"InChI=1S/C73H107N23O24S2/c1-35(98)59(71(118)92-49(26-38-31-80-34-83-38)67(114)93-51(72(119)120)27-55(77)101)96-64(111)43(10-5-6-21-74)85-65(112)47(24-36-12-14-39(99)15-13-36)89-61(108)45(17-19-57(103)104)86-63(110)46(20-23-122-2)88-70(117)53(33-121)95-69(116)52(32-97)94-62(109)44(16-18-54(76)100)87-66(113)48(25-37-30-82-41-9-4-3-8-40(37)41)90-68(115)50(28-58(105)106)91-60(107)42(84-56(102)29-75)11-7-22-81-73(78)79/h3-4,8-9,12-15,30-31,34-35,42-53,59,82,97-99,121H,5-7,10-11,16-29,32-33,74-75H2,1-2H3,(H2,76,100)(H2,77,101)(H,80,83)(H,84,102)(H,85,112)(H,86,110)(H,87,113)(H,88,117)(H,89,108)(H,90,115)(H,91,107)(H,92,118)(H,93,114)(H,94,109)(H,95,116)(H,96,111)(H,103,104)(H,105,106)(H,119,120)(H4,78,79,81)/t35-,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,59+/m1/s1"	[H]NCCCC[C@H](NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CS[H])NC(=O)[C@H](CO[H])NC(=O)[C@H](CCC(=O)N[H])NC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)CN[H])C(=O)N[C@]([H])(C(=O)N[C@@H](Cc1cn([H])cn1)C(=O)N[C@@H](CC(=O)N[H])C(=O)O)[C@@H](C)O[H]	[H]NCCCCC(NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(CCC(=O)O)NC(=O)C(CCSC)NC(=O)C(CS[H])NC(=O)C(CO[H])NC(=O)C(CCC(=O)N[H])NC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(CC(=O)O)NC(=O)C(CCCN=C(N)N[H])NC(=O)CN[H])C(=O)NC([H])(C(=O)NC(Cc1cn([H])cn1)C(=O)NC(CC(=O)N[H])C(=O)O)C(C)O[H]	ZHJVYUDCXQGVAK-GVFDAIPLSA-N	.
PEP01087	CDRGDK	692.753	C25H44N10O11S	373.84	692.2911732	-5.4845	47	13	12	27	"InChI=1S/C25H44N10O11S/c26-6-2-1-4-14(24(45)46)34-22(43)15(8-18(37)38)32-17(36)10-31-21(42)13(5-3-7-30-25(28)29)33-23(44)16(9-19(39)40)35-20(41)12(27)11-47/h12-16,47H,1-11,26-27H2,(H,31,42)(H,32,36)(H,33,44)(H,34,43)(H,35,41)(H,37,38)(H,39,40)(H,45,46)(H4,28,29,30)/t12-,13-,14-,15-,16-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS[H])N[H])C(=O)O	[H]NCCCCC(NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N[H])NC(=O)C(CC(=O)O)NC(=O)C(CS[H])N[H])C(=O)O	GALUPGGEBLLWLQ-QXKUPLGCSA-N	.
PEP01088	CGVQIRGDK	975.141	C39H70N14O13S	466.93	974.4967493	-5.9058	67	16	15	37	"InChI=1S/C39H70N14O13S/c1-5-20(4)31(53-34(61)23(11-12-26(42)54)50-36(63)30(19(2)3)52-28(56)17-46-32(59)21(41)18-67)37(64)49-22(10-8-14-45-39(43)44)33(60)47-16-27(55)48-25(15-29(57)58)35(62)51-24(38(65)66)9-6-7-13-40/h19-25,30-31,67H,5-18,40-41H2,1-4H3,(H2,42,54)(H,46,59)(H,47,60)(H,48,55)(H,49,64)(H,50,63)(H,51,62)(H,52,56)(H,53,61)(H,57,58)(H,65,66)(H4,43,44,45)/t20-,21-,22-,23-,24-,25-,30-,31-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@@]([H])(NC(=O)[C@H](CCC(=O)N[H])NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CS[H])N[H])C(C)C)[C@@H](C)CC)C(=O)O	[H]NCCCCC(NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N[H])NC(=O)C([H])(NC(=O)C(CCC(=O)N[H])NC(=O)C(NC(=O)CNC(=O)C(CS[H])N[H])C(C)C)C(C)CC)C(=O)O	PFFHLJNUDYGOFQ-AADNGARUSA-N	.
PEP01089	CRGDK	577.665	C21H39N9O8S	307.44	577.2642302	-4.444	39	11	10	23	"InChI=1S/C21H39N9O8S/c22-6-2-1-4-13(20(37)38)30-19(36)14(8-16(32)33)28-15(31)9-27-18(35)12(5-3-7-26-21(24)25)29-17(34)11(23)10-39/h11-14,39H,1-10,22-23H2,(H,27,35)(H,28,31)(H,29,34)(H,30,36)(H,32,33)(H,37,38)(H4,24,25,26)/t11-,12-,13-,14-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CS[H])N[H])C(=O)O	[H]NCCCCC(NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N[H])NC(=O)C(CS[H])N[H])C(=O)O	LGISHGNUEPPVDH-XUXIUFHCSA-N	.
PEP01090	CRRGDK	733.854	C27H51N13O9S	400.94	733.3653412	-5.9056	50	14	12	29	"InChI=1S/C27H51N13O9S/c28-8-2-1-5-17(25(48)49)40-24(47)18(11-20(42)43)37-19(41)12-36-22(45)15(6-3-9-34-26(30)31)39-23(46)16(7-4-10-35-27(32)33)38-21(44)14(29)13-50/h14-18,50H,1-13,28-29H2,(H,36,45)(H,37,41)(H,38,44)(H,39,46)(H,40,47)(H,42,43)(H,48,49)(H4,30,31,34)(H4,32,33,35)/t14-,15-,16-,17-,18-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CS[H])N[H])C(=O)O	[H]NCCCCC(NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CS[H])N[H])C(=O)O	ILCXNDDQJQXELS-ATIWLJMLSA-N	.
PEP01091	Pentagastrin	767.906	C37H49N7O9S	250.91	767.3312471	1.5202	54	8	9	20	"InChI=1S/C37H49N7O9S/c1-37(2,3)53-36(52)39-16-14-30(45)41-28(19-23-21-40-25-13-9-8-12-24(23)25)34(50)42-26(15-17-54-4)33(49)44-29(20-31(46)47)35(51)43-27(32(38)48)18-22-10-6-5-7-11-22/h5-13,21,26-29,40H,14-20H2,1-4H3,(H2,38,48)(H,39,52)(H,41,45)(H,42,50)(H,43,51)(H,44,49)(H,46,47)/t26-,27-,28-,29-/m0/s1"	CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	CSCCC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(N)=O	NEYNJQRKHLUJRU-DZUOILHNSA-N	.
PEP01092	Peptide 18-4 analog	1399.641	C66H94N16O16S	535.13	1398.675442	-1.4489	99	19	17	46	"InChI=1S/C66H94N16O16S/c1-6-7-17-45(76-64(96)51(80-57(89)43(67)34-99)32-40-33-72-44-18-12-11-16-42(40)44)59(91)77-48(25-27-54(85)86)58(90)74-36(4)55(87)73-37(5)56(88)79-49(31-39-20-22-41(83)23-21-39)62(94)78-47(24-26-53(68)84)61(93)75-46(19-13-28-71-66(69)70)60(92)81-50(30-38-14-9-8-10-15-38)63(95)82-52(65(97)98)29-35(2)3/h8-12,14-16,18,20-23,33,35-37,43,45-52,72,83,99H,6-7,13,17,19,24-32,34,67H2,1-5H3,(H2,68,84)(H,73,87)(H,74,90)(H,75,93)(H,76,96)(H,77,91)(H,78,94)(H,79,88)(H,80,89)(H,81,92)(H,82,95)(H,85,86)(H,97,98)(H4,69,70,71)/t36-,37-,43-,45+,46-,47-,48-,49-,50-,51-,52-/m0/s1"	[H]NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](CCCC)NC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](CS[H])N[H])C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)O	[H]NC(=O)CCC(NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(CCCC)NC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(CS[H])N[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)O	GTDNMWZARMRSJA-HEFKSMCPSA-N	.
PEP01093	Peptide A6	998.102	C43H71N11O16	436.85	997.5080252	-5.2325	70	13	16	35	"InChI=1S/C43H71N11O16/c44-17-3-1-8-24(46)40(66)52-19-5-10-30(52)39(65)50-28(22-55)37(63)51-29(23-56)41(67)54-21-7-12-32(54)42(68)53-20-6-11-31(53)38(64)48-26(14-16-34(59)60)35(61)47-25(13-15-33(57)58)36(62)49-27(43(69)70)9-2-4-18-45/h24-32,55-56H,1-23,44-46H2,(H,47,61)(H,48,64)(H,49,62)(H,50,65)(H,51,63)(H,57,58)(H,59,60)(H,69,70)/t24-,25-,26-,27-,28-,29-,30-,31-,32-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CO[H])NC(=O)[C@H](CO[H])NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN[H])N[H])C(=O)O	[H]NCCCCC(NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(CO[H])NC(=O)C(CO[H])NC(=O)C1CCCN1C(=O)C(CCCCN[H])N[H])C(=O)O	GLAHFUYGILDUJS-MQAKNACASA-N	.
PEP01094	FB006	4329.666	C189H287N51O66	1978.73	4327.066923	-17.4123	306	63	60	158	"InChI=1S/C189H287N51O66/c1-16-90(12)151(184(301)223-118(50-63-148(266)267)165(282)216-117(49-62-147(264)265)170(287)236-132(84-241)183(300)221-110(42-55-136(196)247)166(283)230-127(77-138(198)249)175(292)218-109(41-54-135(195)246)161(278)211-107(39-52-133(193)244)159(276)213-112(44-57-142(254)255)163(280)209-104(32-23-25-65-190)157(274)229-126(76-137(197)248)176(293)220-113(45-58-143(256)257)164(281)212-108(40-53-134(194)245)160(277)214-114(46-59-144(258)259)167(284)224-120(68-86(4)5)172(289)235-131(188(305)306)71-89(10)11)238-181(298)122(70-88(8)9)226-168(285)116(48-61-146(262)263)219-174(291)125(75-97-83-203-85-207-97)233-185(302)153(92(14)18-3)239-180(297)121(69-87(6)7)225-158(275)105(33-24-26-66-191)222-187(304)154(93(15)242)240-182(299)123(72-94-35-37-98(243)38-36-94)227-177(294)128(78-139(199)250)231-178(295)129(79-140(200)251)234-186(303)152(91(13)17-2)237-171(288)119(51-64-149(268)269)217-156(273)106(34-27-67-204-189(201)202)210-179(296)130(80-150(270)271)232-173(290)124(74-96-82-206-103-31-22-20-29-100(96)103)228-169(286)115(47-60-145(260)261)215-162(279)111(43-56-141(252)253)208-155(272)101(192)73-95-81-205-102-30-21-19-28-99(95)102/h19-22,28-31,35-38,81-83,85-93,101,104-132,151-154,205-206,241-243H,16-18,23-27,32-34,39-80,84,190-192H2,1-15H3,(H2,193,244)(H2,194,245)(H2,195,246)(H2,196,247)(H2,197,248)(H2,198,249)(H2,199,250)(H2,200,251)(H,203,207)(H,208,272)(H,209,280)(H,210,296)(H,211,278)(H,212,281)(H,213,276)(H,214,277)(H,215,279)(H,216,282)(H,217,273)(H,218,292)(H,219,291)(H,220,293)(H,221,300)(H,222,304)(H,223,301)(H,224,284)(H,225,275)(H,226,285)(H,227,294)(H,228,286)(H,229,274)(H,230,283)(H,231,295)(H,232,290)(H,233,302)(H,234,303)(H,235,289)(H,236,287)(H,237,288)(H,238,298)(H,239,297)(H,240,299)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H,305,306)(H4,201,202,204)/t90-,91-,92-,93+,101-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,151-,152-,153-,154-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N[H])NC(=O)[C@H](CCC(=O)N[H])NC(=O)[C@H](CC(=O)N[H])NC(=O)[C@H](CCC(=O)N[H])NC(=O)[C@H](CO[H])NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@]([H])(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1cn([H])cn1)NC(=O)[C@@]([H])(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN[H])NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](CC(=O)N[H])NC(=O)[C@H](CC(=O)N[H])NC(=O)[C@@]([H])(NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1cn([H])c2ccccc12)N[H])[C@@H](C)CC)[C@@H](C)O[H])[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](CC(=O)N[H])C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N[H])C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O	[H]NCCCCC(NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)N[H])NC(=O)C(CCC(=O)N[H])NC(=O)C(CC(=O)N[H])NC(=O)C(CCC(=O)N[H])NC(=O)C(CO[H])NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C([H])(NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(Cc1cn([H])cn1)NC(=O)C([H])(NC(=O)C(CC(C)C)NC(=O)C(CCCCN[H])NC(=O)C([H])(NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(CC(=O)N[H])NC(=O)C(CC(=O)N[H])NC(=O)C([H])(NC(=O)C(CCC(=O)O)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CC(=O)O)NC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(Cc1cn([H])c2ccccc12)N[H])C(C)CC)C(C)O[H])C(C)CC)C(C)CC)C(=O)NC(CC(=O)N[H])C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)N[H])C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)O	FHFVFIHUCOBFMA-ZHUGSBMESA-N	.
PEP01095	cyclo[DKP-isoDGR]	630.663	C27H38N10O8	291.03	630.2874082	-4.31543	45	10	9	8	"InChI=1S/C27H38N10O8/c28-10-14-3-5-15(6-4-14)13-37-19-11-33-23(41)16(2-1-7-31-27(29)30)34-22(40)12-32-20(38)9-18(26(44)45)35-21(39)8-17(25(37)43)36-24(19)42/h3-6,16-19H,1-2,7-13,28H2,(H,32,38)(H,33,41)(H,34,40)(H,35,39)(H,36,42)(H,44,45)(H4,29,30,31)/t16-,17-,18-,19-/m0/s1"	N=C(N)NCCC[C@@H]1NC(=O)CNC(=O)C[C@@H](C(=O)O)NC(=O)C[C@@H]2NC(=O)[C@H](CNC1=O)N(Cc1ccc(CN)cc1)C2=O	N=C(N)NCCCC1NC(=O)CNC(=O)CC(C(=O)O)NC(=O)CC2NC(=O)C(CNC1=O)N(Cc1ccc(CN)cc1)C2=O	ALNNNVWRNZQNPS-VJANTYMQSA-N	.
PEP01096	MLS	3153.891	C141H250N44O35S	1265.2	3151.885597	-11.7245	221	42	42	109	"InChI=1S/C141H250N44O35S/c1-26-78(20)108(133(215)173-95(61-83-62-152-68-159-83)122(204)177-99(66-187)126(208)175-97(137(219)220)60-75(14)15)180-118(200)86(36-27-28-45-142)164-111(193)79(21)160-115(197)87(38-30-47-154-139(146)147)168-128(210)101-41-34-51-184(101)135(217)107(77(18)19)179-130(212)103-43-33-50-183(103)134(216)96(59-74(12)13)174-117(199)89(40-32-49-156-141(150)151)167-116(198)88(39-31-48-155-140(148)149)165-112(194)80(22)161-125(207)98(65-186)163-105(192)64-158-131(213)109(81(23)189)181-123(205)90(54-69(2)3)162-104(191)63-157-114(196)85(37-29-46-153-138(144)145)166-119(201)91(55-70(4)5)169-120(202)92(56-71(6)7)170-121(203)93(57-72(8)9)171-129(211)102-42-35-52-185(102)136(218)110(82(24)190)182-124(206)94(58-73(10)11)172-132(214)106(76(16)17)178-127(209)100(67-188)176-113(195)84(143)44-53-221-25/h62,68-82,84-103,106-110,186-190H,26-61,63-67,142-143H2,1-25H3,(H,152,159)(H,157,196)(H,158,213)(H,160,197)(H,161,207)(H,162,191)(H,163,192)(H,164,193)(H,165,194)(H,166,201)(H,167,198)(H,168,210)(H,169,202)(H,170,203)(H,171,211)(H,172,214)(H,173,215)(H,174,199)(H,175,208)(H,176,195)(H,177,204)(H,178,209)(H,179,212)(H,180,200)(H,181,205)(H,182,206)(H,219,220)(H4,144,145,153)(H4,146,147,154)(H4,148,149,155)(H4,150,151,156)/t78-,79-,80-,81+,82+,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,106-,107-,108-,109-,110-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](C)NC(=O)[C@H](CO[H])NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@]([H])(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CO[H])NC(=O)[C@H](CCSC)N[H])C(C)C)[C@@H](C)O[H])[C@@H](C)O[H])C(C)C)C(=O)N[C@]([H])(C(=O)N[C@@H](Cc1cn([H])cn1)C(=O)N[C@@H](CO[H])C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC	[H]NCCCCC(NC(=O)C(C)NC(=O)C(CCCN=C(N)N[H])NC(=O)C1CCCN1C(=O)C(NC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C(C)NC(=O)C(CO[H])NC(=O)CNC(=O)C([H])(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(CCCN=C(N)N[H])NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C1CCCN1C(=O)C([H])(NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CO[H])NC(=O)C(CCSC)N[H])C(C)C)C(C)O[H])C(C)O[H])C(C)C)C(=O)NC([H])(C(=O)NC(Cc1cn([H])cn1)C(=O)NC(CO[H])C(=O)NC(CC(C)C)C(=O)O)C(C)CC	LLQDFOHOWKUDJX-SFCNUTCQSA-N	.
PEP01097	WXEAAYQK(D)FL cyclic peptide	1250.466	C63H87N13O14	433.43	1249.649544	0.2984	90	15	14	23	"InChI=1S/C63H87N13O14/c1-6-7-18-44-57(84)71-47(26-28-53(79)80)56(83)68-36(4)54(81)67-37(5)55(82)73-49(32-39-21-23-41(77)24-22-39)61(88)72-46(25-27-52(65)78)59(86)69-45(20-13-14-29-64)58(85)75-50(31-38-15-9-8-10-16-38)62(89)74-48(30-35(2)3)60(87)76-51(63(90)70-44)33-40-34-66-43-19-12-11-17-42(40)43/h8-12,15-17,19,21-24,34-37,44-51,66,77H,6-7,13-14,18,20,25-33,64H2,1-5H3,(H2,65,78)(H,67,81)(H,68,83)(H,69,86)(H,70,90)(H,71,84)(H,72,88)(H,73,82)(H,74,89)(H,75,85)(H,76,87)(H,79,80)/t36-,37-,44-,45+,46-,47-,48-,49-,50-,51-/m0/s1"	[H]NCCCC[C@H]1NC(=O)[C@H](CCC(=O)N[H])NC(=O)[C@H](Cc2ccc(O[H])cc2)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCC)NC(=O)[C@H](Cc2cn([H])c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC1=O	[H]NCCCCC1NC(=O)C(CCC(=O)N[H])NC(=O)C(Cc2ccc(O[H])cc2)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(CCCC)NC(=O)C(Cc2cn([H])c3ccccc23)NC(=O)C(CC(C)C)NC(=O)C(Cc2ccccc2)NC1=O	WCYUOTOJTKXNTR-WLZJPCANSA-N	.
PEP01098	WX(D)EAAYQK(D)FL peptide	1268.481	C63H89N13O15	467.65	1267.660109	0.2119	91	16	15	42	"InChI=1S/C63H89N13O15/c1-6-7-18-45(70-56(83)43(65)33-40-34-67-44-19-12-11-17-42(40)44)58(85)72-48(26-28-53(79)80)57(84)69-36(4)54(81)68-37(5)55(82)74-49(32-39-21-23-41(77)24-22-39)61(88)73-47(25-27-52(66)78)60(87)71-46(20-13-14-29-64)59(86)75-50(31-38-15-9-8-10-16-38)62(89)76-51(63(90)91)30-35(2)3/h8-12,15-17,19,21-24,34-37,43,45-51,67,77H,6-7,13-14,18,20,25-33,64-65H2,1-5H3,(H2,66,78)(H,68,81)(H,69,84)(H,70,83)(H,71,87)(H,72,85)(H,73,88)(H,74,82)(H,75,86)(H,76,89)(H,79,80)(H,90,91)/t36-,37-,43-,45+,46+,47-,48-,49-,50-,51-/m0/s1"	[H]NCCCC[C@@H](NC(=O)[C@H](CCC(=O)N[H])NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](CCCC)NC(=O)[C@@H](N)Cc1cn([H])c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)O	[H]NCCCCC(NC(=O)C(CCC(=O)N[H])NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(CCCC)NC(=O)C(N)Cc1cn([H])c2ccccc12)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)O	RCEMGKLFRIOKFG-NKUBOYCYSA-N	.
PEP01099	WX(D)EAAYQKFL peptide	1268.481	C63H89N13O15	467.65	1267.660109	0.2119	91	16	15	41	"InChI=1S/C63H89N13O15/c1-6-7-18-45(70-56(83)43(65)33-40-34-67-44-19-12-11-17-42(40)44)58(85)72-48(26-28-53(79)80)57(84)69-36(4)54(81)68-37(5)55(82)74-49(32-39-21-23-41(77)24-22-39)61(88)73-47(25-27-52(66)78)60(87)71-46(20-13-14-29-64)59(86)75-50(31-38-15-9-8-10-16-38)62(89)76-51(63(90)91)30-35(2)3/h8-12,15-17,19,21-24,34-37,43,45-51,67,77H,6-7,13-14,18,20,25-33,64-65H2,1-5H3,(H2,66,78)(H,68,81)(H,69,84)(H,70,83)(H,71,87)(H,72,85)(H,73,88)(H,74,82)(H,75,86)(H,76,89)(H,79,80)(H,90,91)/t36-,37-,43-,45+,46-,47-,48-,49-,50-,51-/m0/s1"	[H]NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](CCCC)NC(=O)[C@@H](N)Cc1cn([H])c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)O	[H]NC(=O)CCC(NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(CCCC)NC(=O)C(N)Cc1cn([H])c2ccccc12)C(=O)NC(CCCCN)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)O	RCEMGKLFRIOKFG-GYMLMKCOSA-N	.
PEP01100	WXEAAYQK(D)FL peptide	1268.481	C63H89N13O15	467.65	1267.660109	0.2119	91	16	15	41	"InChI=1S/C63H89N13O15/c1-6-7-18-45(70-56(83)43(65)33-40-34-67-44-19-12-11-17-42(40)44)58(85)72-48(26-28-53(79)80)57(84)69-36(4)54(81)68-37(5)55(82)74-49(32-39-21-23-41(77)24-22-39)61(88)73-47(25-27-52(66)78)60(87)71-46(20-13-14-29-64)59(86)75-50(31-38-15-9-8-10-16-38)62(89)76-51(63(90)91)30-35(2)3/h8-12,15-17,19,21-24,34-37,43,45-51,67,77H,6-7,13-14,18,20,25-33,64-65H2,1-5H3,(H2,66,78)(H,68,81)(H,69,84)(H,70,83)(H,71,87)(H,72,85)(H,73,88)(H,74,82)(H,75,86)(H,76,89)(H,79,80)(H,90,91)/t36-,37-,43-,45-,46+,47-,48-,49-,50-,51-/m0/s1"	[H]NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCC)NC(=O)[C@@H](N)Cc1cn([H])c2ccccc12)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)O	[H]NC(=O)CCC(NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(CCCC)NC(=O)C(N)Cc1cn([H])c2ccccc12)C(=O)NC(CCCCN)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)O	RCEMGKLFRIOKFG-SCSRQFKQSA-N	.
PEP01101	D-aa KK-11	.	.	.	.	.	.	.	.	.	.	.	.	.	.
PEP01102	[D-Lys<sup>6</sup>]-GnRH	1369.55	C64H92N18O16	544.19	1368.693869	-3.4675	98	19	18	43	"InChI=1S/C64H92N18O16/c1-35(2)26-46(57(92)76-45(14-8-24-70-64(66)67)63(98)82-25-9-15-51(82)62(97)72-32-53(87)88)77-55(90)43(12-5-6-22-65)74-58(93)47(27-36-16-18-39(84)19-17-36)78-61(96)50(33-83)81-59(94)48(28-37-30-71-41-11-4-3-10-40(37)41)79-60(95)49(29-38-31-68-34-73-38)80-56(91)44(20-21-52(85)86)75-54(89)42-13-7-23-69-42/h3-4,10-11,16-19,30-31,34-35,42-51,69,71,83-84H,5-9,12-15,20-29,32-33,65H2,1-2H3,(H,68,73)(H,72,97)(H,74,93)(H,75,89)(H,76,92)(H,77,90)(H,78,96)(H,79,95)(H,80,91)(H,81,94)(H,85,86)(H,87,88)(H4,66,67,70)/t42-,43-,44+,45+,46+,47+,48+,49+,50+,51+/m1/s1"	[H]NCCCC[C@@H](NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](CO[H])NC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](Cc1cn([H])cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]1CCCN1[H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N1CCC[C@H]1C(=O)NCC(=O)O	[H]NCCCCC(NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(CO[H])NC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(Cc1cn([H])cn1)NC(=O)C(CCC(=O)O)NC(=O)C1CCCN1[H])C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N[H])C(=O)N1CCCC1C(=O)NCC(=O)O	FXSYIJZIRLAGIU-UXVJKOCTSA-N	.
PEP01103	AHNP	2243.484	C99H135N21O33S3	846.42	2241.869329	-5.9514	156	28	32	56	"InChI=1S/C99H135N21O33S3/c1-48(2)32-61(116-98(151)73-16-13-30-120(73)77(127)42-100)85(138)102-44-75(125)106-62(33-49(3)4)88(141)104-51(7)83(136)101-43-74(124)108-68(39-79(130)131)93(146)115-69(40-80(132)133)94(147)111-66(37-56-21-27-59(123)28-22-56)92(145)118-72-47-156-155-46-71(96(149)112-65(36-55-19-25-58(122)26-20-55)91(144)109-60(29-31-154-9)87(140)114-70(41-81(134)135)95(148)119-82(50(5)6)99(152)153)117-84(137)52(8)105-89(142)64(35-54-17-23-57(121)24-18-54)110-90(143)63(34-53-14-11-10-12-15-53)107-76(126)45-103-86(139)67(38-78(128)129)113-97(72)150/h10-12,14-15,17-28,48-52,60-73,82,121-123H,13,16,29-47,100H2,1-9H3,(H,101,136)(H,102,138)(H,103,139)(H,104,141)(H,105,142)(H,106,125)(H,107,126)(H,108,124)(H,109,144)(H,110,143)(H,111,147)(H,112,149)(H,113,150)(H,114,140)(H,115,146)(H,116,151)(H,117,137)(H,118,145)(H,119,148)(H,128,129)(H,130,131)(H,132,133)(H,134,135)(H,152,153)/t51-,52-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,82-/m0/s1"	[H]NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O[H])cc2)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O[H])cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](CC(=O)O)NC1=O	[H]NCC(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccc(O[H])cc1)C(=O)NC1CSSCC(C(=O)NC(Cc2ccc(O[H])cc2)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(C(=O)O)C(C)C)NC(=O)C(C)NC(=O)C(Cc2ccc(O[H])cc2)NC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CC(=O)O)NC1=O	LSCLRSGVJCEZPD-NQLCMFIOSA-N	.
PEP01104	Potent somatostatin analog (SSA)	1734.086	C82H116N20O18S2	641.99	1732.821789	-2.2824	122	24	25	52	"InChI=1S/C82H116N20O18S2/c1-46(103)68-81(118)100-67(80(117)98-65(40-52-42-88-45-90-52)78(115)102-69(47(2)104)82(119)120)44-122-121-43-66(79(116)96-62(36-48-16-4-3-5-17-48)76(113)97-64(39-51-41-89-57-20-7-6-18-55(51)57)77(114)93-60(73(110)101-68)23-11-15-35-86)99-72(109)59(22-10-14-34-85)92-75(112)63(38-50-26-30-54(106)31-27-50)95-71(108)58(21-9-13-33-84)91-74(111)61(37-49-24-28-53(105)29-25-49)94-70(107)56(87)19-8-12-32-83/h3-7,16-18,20,24-31,41-42,45-47,56,58-69,89,103-106H,8-15,19,21-23,32-40,43-44,83-87H2,1-2H3,(H,88,90)(H,91,111)(H,92,112)(H,93,114)(H,94,107)(H,95,108)(H,96,116)(H,97,113)(H,98,117)(H,99,109)(H,100,118)(H,101,110)(H,102,115)(H,119,120)/t46-,47-,56-,58+,59-,60+,61-,62+,63-,64-,65+,66+,67+,68+,69+/m1/s1"	[H]NCCCC[C@@H]1NC(=O)[C@@H](Cc2cn([H])c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](CCCCN[H])NC(=O)[C@@H](Cc2ccc(O[H])cc2)NC(=O)[C@H](CCCCN[H])NC(=O)[C@@H](Cc2ccc(O[H])cc2)NC(=O)[C@@H](CCCCN[H])N[H])CSSC[C@@H](C(=O)N[C@@H](Cc2cn([H])cn2)C(=O)N[C@]([H])(C(=O)O)[C@@H](C)O[H])NC(=O)[C@]([H])([C@@H](C)O[H])NC1=O	[H]NCCCCC(N[H])C(=O)NC(Cc1ccc(O[H])cc1)C(=O)NC(CCCCN[H])C(=O)NC(Cc1ccc(O[H])cc1)C(=O)NC(CCCCN[H])C(=O)NC1CSSCC(C(=O)NC(Cc2cn([H])cn2)C(=O)NC([H])(C(=O)O)C(C)O[H])NC(=O)C([H])(C(C)O[H])NC(=O)C(CCCCN[H])NC(=O)C(Cc2cn([H])c3ccccc23)NC(=O)C(Cc2ccccc2)NC1=O	PVRQZZUGMBLRML-DQQUOFAQSA-N	.
PDC_01175	Tripeptide 49 - Porphyrin-derivative conjugate 2	8	18	"InChI=1S/C62H63N13O6/c1-36(59(78)64-29-9-8-10-53(58(63)77)68-39(4)76)65-60(79)37(2)66-61(80)38(3)67-62(81)44-13-11-40(12-14-44)54-45-15-17-47(69-45)55(41-23-30-73(5)31-24-41)49-19-21-51(71-49)57(43-27-34-75(7)35-28-43)52-22-20-50(72-52)56(48-18-16-46(54)70-48)42-25-32-74(6)33-26-42/h11-28,30-38,53H,8-10,29H2,1-7H3,(H6-2,63,64,65,66,67,68,69,70,71,72,76,77,78,79,80,81)/p+3/t36-,37+,38-,53-/m0/s1"	CC(=O)N[C@@H](CCCCNC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(-c2c3ccc([nH]3)c(-c3cc[n+](C)cc3)c3nc(c(-c4cc[n+](C)cc4)c4nc(c(-c5cc[n+](C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(N)=O	CC(=O)NC(CCCCNC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)c1ccc(-c2c3ccc([nH]3)c(-c3cc[n+](C)cc3)c3nc(c(-c4cc[n+](C)cc4)c4nc(c(-c5cc[n+](C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(N)=O	CHEVUYKAERLNMU-PXYHJTGPSA-Q	.							
PDC_01176	"Tuftsin - 2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonamide conjugate"	12	19	"InChI=1S/C43H72N8O11S/c1-24-25(2)34(26(3)28-23-43(11,12)61-33(24)28)63(58,59)50-39(45)46-21-15-18-30(38(55)56)49-35(52)31-19-16-22-51(31)37(54)29(17-13-14-20-47-40(57)62-42(8,9)10)48-36(53)32(44)27(4)60-41(5,6)7/h27,29-32H,13-23,44H2,1-12H3,(H,47,57)(H,48,53)(H,49,52)(H,55,56)(H3,45,46,50)/t27-,29+,30+,31+,32+/m1/s1"	Cc1c(C)c(S(=O)(=O)NC(N)=NCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@@H](N)[C@@H](C)OC(C)(C)C)C(=O)O)c(C)c2c1OC(C)(C)C2	Cc1c(C)c(S(=O)(=O)NC(N)=NCCCC(NC(=O)C2CCCN2C(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(N)C(C)OC(C)(C)C)C(=O)O)c(C)c2c1OC(C)(C)C2	PVBNIJGISJHSIF-UGMRNKNYSA-N	.							
PDC_01177	Tuftsin (liberated from the Fc domain of the heavy chain of IgG 1 - Acridone-4-carboxylic acid (4-carboxyacridone) derivative conjugate 1	12	22	"InChI=1S/C41H57N11O11/c1-4-21(2)31(42)38(58)45-18-8-7-13-26(36(56)50-32(22(3)53)40(60)61)48-37(57)29-15-10-20-51(29)39(59)27(14-9-19-46-41(43)44)49-35(55)24-16-17-28(52(62)63)30-33(24)47-25-12-6-5-11-23(25)34(30)54/h5-6,11-12,16-17,21-22,26-27,29,31-32,53H,4,7-10,13-15,18-20,42H2,1-3H3,(H,45,58)(H,47,54)(H,48,57)(H,49,55)(H,50,56)(H,60,61)(H4,43,44,46)/t21-,22+,26-,27-,29-,31-,32-/m0/s1"	CC[C@H](C)[C@H](N)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)c1ccc([N+](=O)[O-])c2c(=O)c3ccccc3[nH]c12)C(=O)N[C@H](C(=O)O)[C@@H](C)O	CCC(C)C(N)C(=O)NCCCCC(NC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)c1ccc([N+](=O)[O-])c2c(=O)c3ccccc3[nH]c12)C(=O)NC(C(=O)O)C(C)O	MBXSOOYUASFNQT-KJRVTVOMSA-N	.							
PDC_01178	Tuftsin (liberated from the Fc domain of the heavy chain of IgG 1 - Acridone-4-carboxylic acid (4-carboxyacridone) derivative conjugate 2	11	18	"InChI=1S/C35H46N10O10/c1-18(46)27(34(52)53)43-31(49)22(10-4-5-15-36)41-32(50)25-12-7-17-44(25)33(51)23(11-6-16-39-35(37)38)42-30(48)20-13-14-24(45(54)55)26-28(20)40-21-9-3-2-8-19(21)29(26)47/h2-3,8-9,13-14,18,22-23,25,27,46H,4-7,10-12,15-17,36H2,1H3,(H,40,47)(H,41,50)(H,42,48)(H,43,49)(H,52,53)(H4,37,38,39)/t18-,22+,23+,25+,27+/m1/s1"	C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)c1ccc([N+](=O)[O-])c2c(=O)c3ccccc3[nH]c12)C(=O)O	CC(O)C(NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)c1ccc([N+](=O)[O-])c2c(=O)c3ccccc3[nH]c12)C(=O)O	GCJLMTLUQPQQII-LOVJMPFISA-N	.							
PDC_01179	Tuftsin - Acridone-4-carboxylic acid (4-carboxyacridone) derivative conjugate 1	12	22	"InChI=1S/C41H57N11O11/c1-4-21(2)31(42)37(57)45-18-8-7-13-26(39(59)51-20-10-15-29(51)36(56)49-27(40(60)61)14-9-19-46-41(43)44)48-38(58)32(22(3)53)50-35(55)24-16-17-28(52(62)63)30-33(24)47-25-12-6-5-11-23(25)34(30)54/h5-6,11-12,16-17,21-22,26-27,29,31-32,53H,4,7-10,13-15,18-20,42H2,1-3H3,(H,45,57)(H,47,54)(H,48,58)(H,49,56)(H,50,55)(H,60,61)(H4,43,44,46)/t21-,22+,26-,27-,29-,31-,32-/m0/s1"	CC[C@H](C)[C@H](N)C(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c2c(=O)c3ccccc3[nH]c12)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O	CCC(C)C(N)C(=O)NCCCCC(NC(=O)C(NC(=O)c1ccc([N+](=O)[O-])c2c(=O)c3ccccc3[nH]c12)C(C)O)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)O	YKRQSDOLMBTIJD-KJRVTVOMSA-N	.							
PDC_01180	Tuftsin - Acridone-4-carboxylic acid (4-carboxyacridone) derivative conjugate 2	11	18	"InChI=1S/C35H46N10O10/c1-18(46)27(43-30(48)20-13-14-24(45(54)55)26-28(20)40-21-9-3-2-8-19(21)29(26)47)32(50)41-22(10-4-5-15-36)33(51)44-17-7-12-25(44)31(49)42-23(34(52)53)11-6-16-39-35(37)38/h2-3,8-9,13-14,18,22-23,25,27,46H,4-7,10-12,15-17,36H2,1H3,(H,40,47)(H,41,50)(H,42,49)(H,43,48)(H,52,53)(H4,37,38,39)/t18-,22+,23+,25+,27+/m1/s1"	C[C@@H](O)[C@H](NC(=O)c1ccc([N+](=O)[O-])c2c(=O)c3ccccc3[nH]c12)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O	CC(O)C(NC(=O)c1ccc([N+](=O)[O-])c2c(=O)c3ccccc3[nH]c12)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)O	YSQDNEZFFSSMRM-LOVJMPFISA-N	.							
PDC_01181	Tuftsin (liberated from the Fc domain of the heavy chain of IgG 1 - Acridone-4-carboxylic acid (4-carboxyacridone) derivative conjugate 3	10	21	"InChI=1S/C41H58N10O9/c1-4-22(2)31(42)38(57)45-19-8-7-16-28(36(55)50-32(23(3)52)40(59)60)48-37(56)30-18-11-21-51(30)39(58)29(17-10-20-46-41(43)44)49-35(54)26-14-9-13-25-33(26)47-27-15-6-5-12-24(27)34(25)53/h5-6,9,12-15,22-23,28-32,52H,4,7-8,10-11,16-21,42H2,1-3H3,(H,45,57)(H,47,53)(H,48,56)(H,49,54)(H,50,55)(H,59,60)(H4,43,44,46)/t22-,23+,28-,29-,30-,31-,32-/m0/s1"	CC[C@H](C)[C@H](N)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C(=O)N[C@H](C(=O)O)[C@@H](C)O	CCC(C)C(N)C(=O)NCCCCC(NC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C(=O)NC(C(=O)O)C(C)O	DFELVCZFCDJDTP-NLGDARMDSA-N	.							
PDC_01182	Tuftsin (liberated from the Fc domain of the heavy chain of IgG 1 - Acridone-4-carboxylic acid (4-carboxyacridone) derivative conjugate 4	10	19	"InChI=1S/C37H50N10O9/c1-20(48)29(36(55)56)46-33(52)25(13-4-5-16-41-28(49)19-38)44-34(53)27-15-8-18-47(27)35(54)26(14-7-17-42-37(39)40)45-32(51)23-11-6-10-22-30(23)43-24-12-3-2-9-21(24)31(22)50/h2-3,6,9-12,20,25-27,29,48H,4-5,7-8,13-19,38H2,1H3,(H,41,49)(H,43,50)(H,44,53)(H,45,51)(H,46,52)(H,55,56)(H4,39,40,42)/t20-,25+,26+,27+,29+/m1/s1"	C[C@@H](O)[C@H](NC(=O)[C@H](CCCCNC(=O)CN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C(=O)O	CC(O)C(NC(=O)C(CCCCNC(=O)CN)NC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C(=O)O	AUHUGXXJXIKTMW-AVRDBVGKSA-N	.							
PDC_01183	Tuftsin (liberated from the Fc domain of the heavy chain of IgG 1 - Acridone-4-carboxylic acid (4-carboxyacridone) derivative conjugate 5	9	17	"InChI=1S/C35H47N9O8/c1-19(45)27(34(51)52)43-31(48)24(13-4-5-16-36)41-32(49)26-15-8-18-44(26)33(50)25(14-7-17-39-35(37)38)42-30(47)22-11-6-10-21-28(22)40-23-12-3-2-9-20(23)29(21)46/h2-3,6,9-12,19,24-27,45H,4-5,7-8,13-18,36H2,1H3,(H,40,46)(H,41,49)(H,42,47)(H,43,48)(H,51,52)(H4,37,38,39)/t19-,24+,25+,26+,27+/m1/s1"	C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C(=O)O	CC(O)C(NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C(=O)O	WQXFAIZYJQQJOH-ZBDVVHIFSA-N	.							
PDC_01184	Tuftsin - Acridone-4-carboxylic acid (4-carboxyacridone) derivative conjugate 3	10	19	"InChI=1S/C37H50N10O9/c1-20(48)29(46-32(51)23-11-6-10-22-30(23)43-24-12-3-2-9-21(24)31(22)50)34(53)44-25(13-4-5-16-41-28(49)19-38)35(54)47-18-8-15-27(47)33(52)45-26(36(55)56)14-7-17-42-37(39)40/h2-3,6,9-12,20,25-27,29,48H,4-5,7-8,13-19,38H2,1H3,(H,41,49)(H,43,50)(H,44,53)(H,45,52)(H,46,51)(H,55,56)(H4,39,40,42)/t20-,25+,26+,27+,29+/m1/s1"	C[C@@H](O)[C@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C(=O)N[C@@H](CCCCNC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O	CC(O)C(NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C(=O)NC(CCCCNC(=O)CN)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)O	NTYRTWAQOIRHSM-AVRDBVGKSA-N	.							
PDC_01185	Tuftsin - Acridone-4-carboxylic acid (4-carboxyacridone) derivative conjugate 4	9	17	"InChI=1S/C35H47N9O8/c1-19(45)27(43-30(47)22-11-6-10-21-28(22)40-23-12-3-2-9-20(23)29(21)46)32(49)41-24(13-4-5-16-36)33(50)44-18-8-15-26(44)31(48)42-25(34(51)52)14-7-17-39-35(37)38/h2-3,6,9-12,19,24-27,45H,4-5,7-8,13-18,36H2,1H3,(H,40,46)(H,41,49)(H,42,48)(H,43,47)(H,51,52)(H4,37,38,39)/t19-,24+,25+,26+,27+/m1/s1"	C[C@@H](O)[C@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O	CC(O)C(NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)O	UPVQNHAERFZBLL-ZBDVVHIFSA-N	.							
PDC_01186	Tuftsin (liberated from the Fc domain of the heavy chain of IgG 2 - 3-[(1-Nitroacridin-9-yl)amino]propanoic acid (nitroacrin) derivative conjugate 1	12	24	"InChI=1S/C41H59N11O9/c1-24-18-19-30(52(60)61)33-34(24)48-27-13-6-5-12-26(27)36(33)45-21-9-3-4-17-32(54)47-29(15-10-22-46-41(43)44)39(57)51-23-11-16-31(51)38(56)49-28(14-7-8-20-42)37(55)50-35(25(2)53)40(58)59/h5-6,12-13,18-19,25,28-29,31,35,53H,3-4,7-11,14-17,20-23,42H2,1-2H3,(H,45,48)(H,47,54)(H,49,56)(H,50,55)(H,58,59)(H4,43,44,46)/t25-,28+,29+,31+,35+/m1/s1"	Cc1ccc([N+](=O)[O-])c2c(NCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)O)[C@@H](C)O)c3ccccc3nc12	Cc1ccc([N+](=O)[O-])c2c(NCCCCCC(=O)NC(CCCN=C(N)N)C(=O)N3CCCC3C(=O)NC(CCCCN)C(=O)NC(C(=O)O)C(C)O)c3ccccc3nc12	RVBQHLRZKZDMKR-FHHWKLRUSA-N	.							
PDC_01187	Tuftsin (liberated from the Fc domain of the heavy chain of IgG 1 - 3-[(1-Nitroacridin-9-yl)amino]propanoic acid (nitroacrin) derivative conjugate	13	28	"InChI=1S/C47H70N12O10/c1-5-27(2)38(48)44(64)52-24-12-10-17-32(42(62)57-40(29(4)60)46(66)67)56-43(63)35-19-14-26-58(35)45(65)33(18-13-25-53-47(49)50)54-36(61)20-7-6-11-23-51-41-30-15-8-9-16-31(30)55-39-28(3)21-22-34(37(39)41)59(68)69/h8-9,15-16,21-22,27,29,32-33,35,38,40,60H,5-7,10-14,17-20,23-26,48H2,1-4H3,(H,51,55)(H,52,64)(H,54,61)(H,56,63)(H,57,62)(H,66,67)(H4,49,50,53)/t27-,29+,32-,33-,35-,38-,40-/m0/s1"	CC[C@H](C)[C@H](N)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNc1c2ccccc2nc2c(C)ccc([N+](=O)[O-])c12)C(=O)N[C@H](C(=O)O)[C@@H](C)O	CCC(C)C(N)C(=O)NCCCCC(NC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)CCCCCNc1c2ccccc2nc2c(C)ccc([N+](=O)[O-])c12)C(=O)NC(C(=O)O)C(C)O	GHEBPNXOYMYUGI-DIXVVABASA-N	.							
PDC_01188	Tuftsin (liberated from the Fc domain of the heavy chain of IgG 2 - 3-[(1-Nitroacridin-9-yl)amino]propanoic acid (nitroacrin) derivative conjugate 2	13	23	"InChI=1S/C39H54N12O10/c1-22(52)33(38(58)59)49-35(55)26(11-4-5-17-43-31(54)21-40)48-36(56)29-15-8-20-50(29)37(57)27(13-7-18-45-39(41)42)47-30(53)16-19-44-34-23-9-2-3-10-24(23)46-25-12-6-14-28(32(25)34)51(60)61/h2-3,6,9-10,12,14,22,26-27,29,33,52H,4-5,7-8,11,13,15-21,40H2,1H3,(H,43,54)(H,44,46)(H,47,53)(H,48,56)(H,49,55)(H,58,59)(H4,41,42,45)/t22-,26+,27+,29+,33+/m1/s1"	C[C@@H](O)[C@H](NC(=O)[C@H](CCCCNC(=O)CN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)CCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(=O)O	CC(O)C(NC(=O)C(CCCCNC(=O)CN)NC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)CCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(=O)O	SADCRGIBLREJQO-FWMHKTQISA-N	.							
PDC_01189	Tuftsin (liberated from the Fc domain of the heavy chain of IgG 2 - 3-[(1-Nitroacridin-9-yl)amino]propanoic acid (nitroacrin) derivative conjugate 3	12	24	"InChI=1S/C41H59N11O9/c1-24-18-19-30(52(60)61)33-34(24)47-27-13-6-5-12-26(27)36(33)45-21-9-3-4-17-32(54)50-35(25(2)53)38(56)48-28(14-7-8-20-42)39(57)51-23-11-16-31(51)37(55)49-29(40(58)59)15-10-22-46-41(43)44/h5-6,12-13,18-19,25,28-29,31,35,53H,3-4,7-11,14-17,20-23,42H2,1-2H3,(H,45,47)(H,48,56)(H,49,55)(H,50,54)(H,58,59)(H4,43,44,46)/t25-,28+,29+,31+,35+/m1/s1"	Cc1ccc([N+](=O)[O-])c2c(NCCCCCC(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)[C@@H](C)O)c3ccccc3nc12	Cc1ccc([N+](=O)[O-])c2c(NCCCCCC(=O)NC(C(=O)NC(CCCCN)C(=O)N3CCCC3C(=O)NC(CCCN=C(N)N)C(=O)O)C(C)O)c3ccccc3nc12	KBFBJDDRHBAYKI-FHHWKLRUSA-N	.							
PDC_01190	Tuftsin - 3-[(1-Nitroacridin-9-yl)amino]propanoic acid (nitroacrin) derivative conjugate 1	13	28	"InChI=1S/C47H70N12O10/c1-5-27(2)38(48)43(63)52-24-12-10-17-32(45(65)58-26-14-19-35(58)42(62)56-33(46(66)67)18-13-25-53-47(49)50)55-44(64)40(29(4)60)57-36(61)20-7-6-11-23-51-41-30-15-8-9-16-31(30)54-39-28(3)21-22-34(37(39)41)59(68)69/h8-9,15-16,21-22,27,29,32-33,35,38,40,60H,5-7,10-14,17-20,23-26,48H2,1-4H3,(H,51,54)(H,52,63)(H,55,64)(H,56,62)(H,57,61)(H,66,67)(H4,49,50,53)/t27-,29+,32-,33-,35-,38-,40-/m0/s1"	CC[C@H](C)[C@H](N)C(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)CCCCCNc1c2ccccc2nc2c(C)ccc([N+](=O)[O-])c12)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O	CCC(C)C(N)C(=O)NCCCCC(NC(=O)C(NC(=O)CCCCCNc1c2ccccc2nc2c(C)ccc([N+](=O)[O-])c12)C(C)O)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)O	CNZVZEMDDDBBQW-DIXVVABASA-N	.							
PDC_01191	Tuftsin (liberated from the Fc domain of the heavy chain of IgG 2 - 3-[(1-Nitroacridin-9-yl)amino]propanoic acid (nitroacrin) derivative conjugate 4	13	23	"InChI=1S/C39H54N12O10/c1-22(52)33(49-30(53)16-19-44-34-23-9-2-3-10-24(23)46-25-12-6-14-28(32(25)34)51(60)61)36(56)47-26(11-4-5-17-43-31(54)21-40)37(57)50-20-8-15-29(50)35(55)48-27(38(58)59)13-7-18-45-39(41)42/h2-3,6,9-10,12,14,22,26-27,29,33,52H,4-5,7-8,11,13,15-21,40H2,1H3,(H,43,54)(H,44,46)(H,47,56)(H,48,55)(H,49,53)(H,58,59)(H4,41,42,45)/t22-,26+,27+,29+,33+/m1/s1"	C[C@@H](O)[C@H](NC(=O)CCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(=O)N[C@@H](CCCCNC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O	CC(O)C(NC(=O)CCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(=O)NC(CCCCNC(=O)CN)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)O	XSQSBVCXAKSQGV-FWMHKTQISA-N	.							
PDC_01192	Tuftsin (liberated from the Fc domain of the heavy chain of IgG 2 - 3-[(1-Nitroacridin-9-yl)amino]propanoic acid (nitroacrin) derivative conjugate 5	13	23	"InChI=1S/C40H56N12O10/c1-22-14-15-28(52(61)62)32-33(22)47-25-10-4-3-9-24(25)35(32)45-19-16-30(54)50-34(23(2)53)37(57)48-26(11-5-6-17-44-31(55)21-41)38(58)51-20-8-13-29(51)36(56)49-27(39(59)60)12-7-18-46-40(42)43/h3-4,9-10,14-15,23,26-27,29,34,53H,5-8,11-13,16-21,41H2,1-2H3,(H,44,55)(H,45,47)(H,48,57)(H,49,56)(H,50,54)(H,59,60)(H4,42,43,46)/t23-,26+,27+,29+,34+/m1/s1"	Cc1ccc([N+](=O)[O-])c2c(NCCC(=O)N[C@H](C(=O)N[C@@H](CCCCNC(=O)CN)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)[C@@H](C)O)c3ccccc3nc12	Cc1ccc([N+](=O)[O-])c2c(NCCC(=O)NC(C(=O)NC(CCCCNC(=O)CN)C(=O)N3CCCC3C(=O)NC(CCCN=C(N)N)C(=O)O)C(C)O)c3ccccc3nc12	WGGNETYCUWCLIB-AYLDVXTKSA-N	.							
PDC_01193	Tuftsin - 3-[(1-Nitroacridin-9-yl)amino]propanoic acid (nitroacrin) derivative conjugate 2	13	24	"InChI=1S/C41H58N12O10/c1-23-16-17-29(53(62)63)33-34(23)48-26-11-4-3-10-25(26)36(33)46-19-8-15-31(55)51-35(24(2)54)38(58)49-27(12-5-6-18-45-32(56)22-42)39(59)52-21-9-14-30(52)37(57)50-28(40(60)61)13-7-20-47-41(43)44/h3-4,10-11,16-17,24,27-28,30,35,54H,5-9,12-15,18-22,42H2,1-2H3,(H,45,56)(H,46,48)(H,49,58)(H,50,57)(H,51,55)(H,60,61)(H4,43,44,47)/t24-,27+,28+,30+,35+/m1/s1"	Cc1ccc([N+](=O)[O-])c2c(NCCCC(=O)N[C@H](C(=O)N[C@@H](CCCCNC(=O)CN)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)[C@@H](C)O)c3ccccc3nc12	Cc1ccc([N+](=O)[O-])c2c(NCCCC(=O)NC(C(=O)NC(CCCCNC(=O)CN)C(=O)N3CCCC3C(=O)NC(CCCN=C(N)N)C(=O)O)C(C)O)c3ccccc3nc12	QVIJKOABTWUFOO-VREJMGAKSA-N	.							
PDC_01194	"Tuftsin (liberated from the Fc domain of the heavy chain of IgG 1 - 1,4-dihydroxyanthraquinone (quinizarin) derivative conjugate 1"	12	21	"InChI=1S/C41H57N9O10/c1-4-21(2)32(42)38(57)45-18-8-7-13-26(36(55)49-33(22(3)51)40(59)60)48-37(56)28-15-10-20-50(28)39(58)27(14-9-19-46-41(43)44)47-25-16-17-29(52)31-30(25)34(53)23-11-5-6-12-24(23)35(31)54/h5-6,11-12,16-17,21-22,26-28,32-33,47,51-52H,4,7-10,13-15,18-20,42H2,1-3H3,(H,45,57)(H,48,56)(H,49,55)(H,59,60)(H4,43,44,46)/t21-,22+,26-,27-,28-,32-,33-/m0/s1"	CC[C@H](C)[C@H](N)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O	CCC(C)C(N)C(=O)NCCCCC(NC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O)C(=O)NC(C(=O)O)C(C)O	UXLIRDHCLXNQAV-HCUINBGESA-N	.							
PDC_01195	"Tuftsin (liberated from the Fc domain of the heavy chain of IgG 1 - 1,4-dihydroxyanthraquinone (quinizarin) derivative conjugate 2"	12	19	"InChI=1S/C37H49N9O10/c1-19(47)30(36(55)56)45-33(52)23(10-4-5-15-41-27(49)18-38)44-34(53)25-12-7-17-46(25)35(54)24(11-6-16-42-37(39)40)43-22-13-14-26(48)29-28(22)31(50)20-8-2-3-9-21(20)32(29)51/h2-3,8-9,13-14,19,23-25,30,43,47-48H,4-7,10-12,15-18,38H2,1H3,(H,41,49)(H,44,53)(H,45,52)(H,55,56)(H4,39,40,42)/t19-,23+,24+,25+,30+/m1/s1"	C[C@@H](O)[C@H](NC(=O)[C@H](CCCCNC(=O)CN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O)C(=O)O	CC(O)C(NC(=O)C(CCCCNC(=O)CN)NC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O)C(=O)O	JPYXYNPDQKYSQQ-PLDXUHMYSA-N	.							
PDC_01196	"Tuftsin (liberated from the Fc domain of the heavy chain of IgG 1 - 1,4-dihydroxyanthraquinone (quinizarin) derivative conjugate 3"	12	20	"InChI=1S/C40H55N9O10/c1-20(2)31(41)37(56)44-17-7-6-12-25(35(54)48-32(21(3)50)39(58)59)47-36(55)27-14-9-19-49(27)38(57)26(13-8-18-45-40(42)43)46-24-15-16-28(51)30-29(24)33(52)22-10-4-5-11-23(22)34(30)53/h4-5,10-11,15-16,20-21,25-27,31-32,46,50-51H,6-9,12-14,17-19,41H2,1-3H3,(H,44,56)(H,47,55)(H,48,54)(H,58,59)(H4,42,43,45)/t21-,25+,26+,27+,31+,32+/m1/s1"	CC(C)[C@H](N)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O	CC(C)C(N)C(=O)NCCCCC(NC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O)C(=O)NC(C(=O)O)C(C)O	OIGZEODUZCUYQN-WNLTXSQESA-N	.							
PDC_01197	"Tuftsin (liberated from the Fc domain of the heavy chain of IgG 1 - 1,4-dihydroxyanthraquinone (quinizarin) derivative conjugate 4"	12	20	"InChI=1S/C38H51N9O10/c1-20(48)31(37(56)57)46-34(53)24(10-4-5-17-42-28(50)15-16-39)45-35(54)26-12-7-19-47(26)36(55)25(11-6-18-43-38(40)41)44-23-13-14-27(49)30-29(23)32(51)21-8-2-3-9-22(21)33(30)52/h2-3,8-9,13-14,20,24-26,31,44,48-49H,4-7,10-12,15-19,39H2,1H3,(H,42,50)(H,45,54)(H,46,53)(H,56,57)(H4,40,41,43)/t20-,24+,25+,26+,31+/m1/s1"	C[C@@H](O)[C@H](NC(=O)[C@H](CCCCNC(=O)CCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O)C(=O)O	CC(O)C(NC(=O)C(CCCCNC(=O)CCN)NC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O)C(=O)O	IKIBKSLBUMQZKK-XZZJFJAWSA-N	.							
PDC_01198	"Tuftsin (liberated from the Fc domain of the heavy chain of IgG 1 - 1,4-dihydroxyanthraquinone (quinizarin) derivative conjugate 5"	12	19	"InChI=1S/C38H51N9O10/c1-19(39)33(52)42-16-6-5-11-24(34(53)46-30(20(2)48)37(56)57)45-35(54)26-13-8-18-47(26)36(55)25(12-7-17-43-38(40)41)44-23-14-15-27(49)29-28(23)31(50)21-9-3-4-10-22(21)32(29)51/h3-4,9-10,14-15,19-20,24-26,30,44,48-49H,5-8,11-13,16-18,39H2,1-2H3,(H,42,52)(H,45,54)(H,46,53)(H,56,57)(H4,40,41,43)/t19-,20+,24-,25-,26-,30-/m0/s1"	C[C@H](N)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O	CC(N)C(=O)NCCCCC(NC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O)C(=O)NC(C(=O)O)C(C)O	OBZDCXQUKJVRCE-DHKVTKRTSA-N	.							
PDC_01199	"Tuftsin (liberated from the Fc domain of the heavy chain of IgG 1 - 1,4-dihydroxyanthraquinone (quinizarin) derivative conjugate 6"	11	17	"InChI=1S/C35H46N8O9/c1-18(44)28(34(51)52)42-31(48)22(10-4-5-15-36)41-32(49)24-12-7-17-43(24)33(50)23(11-6-16-39-35(37)38)40-21-13-14-25(45)27-26(21)29(46)19-8-2-3-9-20(19)30(27)47/h2-3,8-9,13-14,18,22-24,28,40,44-45H,4-7,10-12,15-17,36H2,1H3,(H,41,49)(H,42,48)(H,51,52)(H4,37,38,39)/t18-,22+,23+,24+,28+/m1/s1"	C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O)C(=O)O	CC(O)C(NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O)C(=O)O	XUHLCMVXISUNGB-NMIDTGSNSA-N	.							
PDC_01200	"Tuftsin - 1,4-dihydroxyanthraquinone (quinizarin) derivative conjugate 1"	12	21	"InChI=1S/C41H57N9O10/c1-4-21(2)32(42)37(56)45-18-8-7-13-26(39(58)50-20-10-15-28(50)36(55)49-27(40(59)60)14-9-19-46-41(43)44)48-38(57)33(22(3)51)47-25-16-17-29(52)31-30(25)34(53)23-11-5-6-12-24(23)35(31)54/h5-6,11-12,16-17,21-22,26-28,32-33,47,51-52H,4,7-10,13-15,18-20,42H2,1-3H3,(H,45,56)(H,48,57)(H,49,55)(H,59,60)(H4,43,44,46)/t21-,22+,26-,27-,28-,32-,33-/m0/s1"	CC[C@H](C)[C@H](N)C(=O)NCCCC[C@H](NC(=O)[C@@H](Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O	CCC(C)C(N)C(=O)NCCCCC(NC(=O)C(Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O)C(C)O)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)O	CPQWXUCEMPCPBH-HCUINBGESA-N	.							
PDC_01201	"Tuftsin - 1,4-dihydroxyanthraquinone (quinizarin) derivative conjugate 2"	12	19	"InChI=1S/C37H49N9O10/c1-19(47)30(43-22-13-14-26(48)29-28(22)31(50)20-8-2-3-9-21(20)32(29)51)34(53)44-23(10-4-5-15-41-27(49)18-38)35(54)46-17-7-12-25(46)33(52)45-24(36(55)56)11-6-16-42-37(39)40/h2-3,8-9,13-14,19,23-25,30,43,47-48H,4-7,10-12,15-18,38H2,1H3,(H,41,49)(H,44,53)(H,45,52)(H,55,56)(H4,39,40,42)/t19-,23+,24+,25+,30+/m1/s1"	C[C@@H](O)[C@H](Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O)C(=O)N[C@@H](CCCCNC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O	CC(O)C(Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O)C(=O)NC(CCCCNC(=O)CN)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)O	IAZDHRUPPXBIRS-PLDXUHMYSA-N	.							
PDC_01202	"Tuftsin - 1,4-dihydroxyanthraquinone (quinizarin) derivative conjugate 3"	12	20	"InChI=1S/C40H55N9O10/c1-20(2)31(41)36(55)44-17-7-6-12-25(38(57)49-19-9-14-27(49)35(54)48-26(39(58)59)13-8-18-45-40(42)43)47-37(56)32(21(3)50)46-24-15-16-28(51)30-29(24)33(52)22-10-4-5-11-23(22)34(30)53/h4-5,10-11,15-16,20-21,25-27,31-32,46,50-51H,6-9,12-14,17-19,41H2,1-3H3,(H,44,55)(H,47,56)(H,48,54)(H,58,59)(H4,42,43,45)/t21-,25+,26+,27+,31+,32+/m1/s1"	CC(C)[C@H](N)C(=O)NCCCC[C@H](NC(=O)[C@@H](Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O	CC(C)C(N)C(=O)NCCCCC(NC(=O)C(Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O)C(C)O)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)O	HSONXBURFZRFKU-WNLTXSQESA-N	.							
PDC_01203	"Tuftsin - 1,4-dihydroxyanthraquinone (quinizarin) derivative conjugate 4"	12	20	"InChI=1S/C38H51N9O10/c1-20(48)31(44-23-13-14-27(49)30-29(23)32(51)21-8-2-3-9-22(21)33(30)52)35(54)45-24(10-4-5-17-42-28(50)15-16-39)36(55)47-19-7-12-26(47)34(53)46-25(37(56)57)11-6-18-43-38(40)41/h2-3,8-9,13-14,20,24-26,31,44,48-49H,4-7,10-12,15-19,39H2,1H3,(H,42,50)(H,45,54)(H,46,53)(H,56,57)(H4,40,41,43)/t20-,24+,25+,26+,31+/m1/s1"	C[C@@H](O)[C@H](Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O)C(=O)N[C@@H](CCCCNC(=O)CCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O	CC(O)C(Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O)C(=O)NC(CCCCNC(=O)CCN)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)O	RDYSGAVWOYUVFM-XZZJFJAWSA-N	.							
PDC_01204	"Tuftsin - 1,4-dihydroxyanthraquinone (quinizarin) derivative conjugate 5"	12	19	"InChI=1S/C38H51N9O10/c1-19(39)33(52)42-16-6-5-11-24(36(55)47-18-8-13-26(47)34(53)46-25(37(56)57)12-7-17-43-38(40)41)45-35(54)30(20(2)48)44-23-14-15-27(49)29-28(23)31(50)21-9-3-4-10-22(21)32(29)51/h3-4,9-10,14-15,19-20,24-26,30,44,48-49H,5-8,11-13,16-18,39H2,1-2H3,(H,42,52)(H,45,54)(H,46,53)(H,56,57)(H4,40,41,43)/t19-,20+,24-,25-,26-,30-/m0/s1"	C[C@H](N)C(=O)NCCCC[C@H](NC(=O)[C@@H](Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O	CC(N)C(=O)NCCCCC(NC(=O)C(Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O)C(C)O)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)O	USDGZIYUCSCFOS-DHKVTKRTSA-N	.							
PDC_01205	"Tuftsin (liberated from the Fc domain of the heavy chain of IgG 4 - 2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonamide conjugate 1"	13	23	"InChI=1S/C49H83N9O12S/c1-15-27(2)37(56-46(65)70-48(10,11)12)42(61)52-23-17-16-20-33(54-41(60)36(50)31(6)68-47(7,8)9)43(62)58-25-19-22-35(58)40(59)55-34(44(63)64)21-18-24-53-45(51)57-71(66,67)39-29(4)28(3)38-32(30(39)5)26-49(13,14)69-38/h27,31,33-37H,15-26,50H2,1-14H3,(H,52,61)(H,54,60)(H,55,59)(H,56,65)(H,63,64)(H3,51,53,57)/t27-,31+,33-,34-,35-,36-,37-/m0/s1"	CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCC[C@H](NC(=O)[C@@H](N)[C@@H](C)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)C(=O)O	CCC(C)C(NC(=O)OC(C)(C)C)C(=O)NCCCCC(NC(=O)C(N)C(C)OC(C)(C)C)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)C(=O)O	PKTWFUYNTMZVCU-IRWUEXAUSA-N	.							
PDC_01206	"Tuftsin (liberated from the Fc domain of the heavy chain of IgG 4 - 2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonamide conjugate 2"	13	22	"InChI=1S/C48H81N9O12S/c1-26(2)36(55-45(64)69-47(10,11)12)41(60)51-22-16-15-19-32(53-40(59)35(49)30(6)67-46(7,8)9)42(61)57-24-18-21-34(57)39(58)54-33(43(62)63)20-17-23-52-44(50)56-70(65,66)38-28(4)27(3)37-31(29(38)5)25-48(13,14)68-37/h26,30,32-36H,15-25,49H2,1-14H3,(H,51,60)(H,53,59)(H,54,58)(H,55,64)(H,62,63)(H3,50,52,56)/t30-,32+,33+,34+,35+,36+/m1/s1"	Cc1c(C)c(S(=O)(=O)NC(N)=NCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)NC(=O)[C@@H](N)[C@@H](C)OC(C)(C)C)C(=O)O)c(C)c2c1OC(C)(C)C2	Cc1c(C)c(S(=O)(=O)NC(N)=NCCCC(NC(=O)C2CCCN2C(=O)C(CCCCNC(=O)C(NC(=O)OC(C)(C)C)C(C)C)NC(=O)C(N)C(C)OC(C)(C)C)C(=O)O)c(C)c2c1OC(C)(C)C2	VIBKXSQBUKYLKQ-LALRHFFWSA-N	.							
PDC_01207	"Tuftsin (liberated from the Fc domain of the heavy chain of IgG 4 - 2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonamide conjugate 3"	13	22	"InChI=1S/C46H77N9O12S/c1-26-27(2)37(28(3)30-25-46(11,12)66-36(26)30)68(63,64)54-42(48)50-22-15-18-32(41(60)61)53-38(57)33-19-16-24-55(33)40(59)31(52-39(58)35(47)29(4)65-44(5,6)7)17-13-14-21-49-34(56)20-23-51-43(62)67-45(8,9)10/h29,31-33,35H,13-25,47H2,1-12H3,(H,49,56)(H,51,62)(H,52,58)(H,53,57)(H,60,61)(H3,48,50,54)/t29-,31+,32+,33+,35+/m1/s1"	Cc1c(C)c(S(=O)(=O)NC(N)=NCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCNC(=O)CCNC(=O)OC(C)(C)C)NC(=O)[C@@H](N)[C@@H](C)OC(C)(C)C)C(=O)O)c(C)c2c1OC(C)(C)C2	Cc1c(C)c(S(=O)(=O)NC(N)=NCCCC(NC(=O)C2CCCN2C(=O)C(CCCCNC(=O)CCNC(=O)OC(C)(C)C)NC(=O)C(N)C(C)OC(C)(C)C)C(=O)O)c(C)c2c1OC(C)(C)C2	OWUJTBUWEJSIEP-ZUYLYXQESA-N	.							
PDC_01208	"Tuftsin (liberated from the Fc domain of the heavy chain of IgG 4 - 2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonamide conjugate 4"	13	21	"InChI=1S/C46H77N9O12S/c1-25-26(2)36(27(3)30-24-46(12,13)66-35(25)30)68(63,64)54-42(48)50-22-16-19-32(41(60)61)53-38(57)33-20-17-23-55(33)40(59)31(52-39(58)34(47)29(5)65-44(6,7)8)18-14-15-21-49-37(56)28(4)51-43(62)67-45(9,10)11/h28-29,31-34H,14-24,47H2,1-13H3,(H,49,56)(H,51,62)(H,52,58)(H,53,57)(H,60,61)(H3,48,50,54)/t28-,29+,31-,32-,33-,34-/m0/s1"	Cc1c(C)c(S(=O)(=O)NC(N)=NCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCNC(=O)[C@H](C)NC(=O)OC(C)(C)C)NC(=O)[C@@H](N)[C@@H](C)OC(C)(C)C)C(=O)O)c(C)c2c1OC(C)(C)C2	Cc1c(C)c(S(=O)(=O)NC(N)=NCCCC(NC(=O)C2CCCN2C(=O)C(CCCCNC(=O)C(C)NC(=O)OC(C)(C)C)NC(=O)C(N)C(C)OC(C)(C)C)C(=O)O)c(C)c2c1OC(C)(C)C2	RWFYQBZDMUAPPZ-KOQULBODSA-N	.							
PDC_01209	"Tuftsin (liberated from the Fc domain of the heavy chain of IgG 4 - 2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonamide conjugate 5"	13	21	"InChI=1S/C45H75N9O12S/c1-25-26(2)36(27(3)29-23-45(11,12)65-35(25)29)67(62,63)53-41(47)49-21-15-18-31(40(59)60)52-37(56)32-19-16-22-54(32)39(58)30(51-38(57)34(46)28(4)64-43(5,6)7)17-13-14-20-48-33(55)24-50-42(61)66-44(8,9)10/h28,30-32,34H,13-24,46H2,1-12H3,(H,48,55)(H,50,61)(H,51,57)(H,52,56)(H,59,60)(H3,47,49,53)/t28-,30+,31+,32+,34+/m1/s1"	Cc1c(C)c(S(=O)(=O)NC(N)=NCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCNC(=O)CNC(=O)OC(C)(C)C)NC(=O)[C@@H](N)[C@@H](C)OC(C)(C)C)C(=O)O)c(C)c2c1OC(C)(C)C2	Cc1c(C)c(S(=O)(=O)NC(N)=NCCCC(NC(=O)C2CCCN2C(=O)C(CCCCNC(=O)CNC(=O)OC(C)(C)C)NC(=O)C(N)C(C)OC(C)(C)C)C(=O)O)c(C)c2c1OC(C)(C)C2	KUQYKRCUNPQXMJ-MCWJOJKXSA-N	.							
PDC_01210	Tripeptide 50 - Methotrexate conjugate 1	14	19	"InChI=1S/C41H48N12O6/c1-53(24-28-23-46-36-34(47-28)35(43)51-41(44)52-36)29-15-13-27(14-16-29)37(55)48-30(17-18-33(54)59-2)39(57)50-32(22-26-11-7-4-8-12-26)40(58)49-31(38(56)45-20-19-42)21-25-9-5-3-6-10-25/h3-16,23,30-32H,17-22,24,42H2,1-2H3,(H,45,56)(H,48,55)(H,49,58)(H,50,57)(H4,43,44,46,51,52)/t30-,31-,32-/m0/s1"	COC(=O)CC[C@H](NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN	COC(=O)CCC(NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCCN	WIIDWRDZVXVGGR-CPCREDONSA-N	.							
PDC_01211	Tripeptide 51 - Methotrexate conjugate	16	26	"InChI=1S/C42H56N12O8/c1-54(26-29-25-48-38-36(49-29)37(44)52-42(45)53-38)30-11-9-27(10-12-30)39(56)50-33(13-14-35(55)59-2)41(58)51-34(23-28-24-47-32-8-4-3-7-31(28)32)40(57)46-16-6-18-61-20-22-62-21-19-60-17-5-15-43/h3-4,7-12,24-25,33-34,47H,5-6,13-23,26,43H2,1-2H3,(H,46,57)(H,50,56)(H,51,58)(H4,44,45,48,52,53)/t33-,34-/m0/s1"	COC(=O)CC[C@H](NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCOCCOCCOCCCN	COC(=O)CCC(NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCCOCCOCCOCCCN	IVAFRFUDAJLDSL-HEVIKAOCSA-N	.							
PDC_01212	Tripeptide 52 - Methotrexate conjugate	16	25	"InChI=1S/C34H51N11O8/c1-45(22-24-21-40-31-29(41-24)30(36)43-34(37)44-31)25-7-5-23(6-8-25)32(48)42-26(9-10-28(47)50-2)33(49)39-14-11-27(46)38-13-4-16-52-18-20-53-19-17-51-15-3-12-35/h5-8,21,26H,3-4,9-20,22,35H2,1-2H3,(H,38,46)(H,39,49)(H,42,48)(H4,36,37,40,43,44)/t26-/m0/s1"	COC(=O)CC[C@H](NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)NCCC(=O)NCCCOCCOCCOCCCN	COC(=O)CCC(NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)NCCC(=O)NCCCOCCOCCOCCCN	QVYNRDAEMXWHRK-SANMLTNESA-N	.							
PDC_01213	Tripeptide 53 - Methotrexate conjugate	17	26	"InChI=1S/C40H55N11O9/c1-51(25-28-24-45-36-34(46-28)35(42)49-40(43)50-36)29-9-7-27(8-10-29)37(54)47-31(13-14-33(53)57-2)39(56)48-32(23-26-5-11-30(52)12-6-26)38(55)44-16-4-18-59-20-22-60-21-19-58-17-3-15-41/h5-12,24,31-32,52H,3-4,13-23,25,41H2,1-2H3,(H,44,55)(H,47,54)(H,48,56)(H4,42,43,45,49,50)/t31-,32-/m0/s1"	COC(=O)CC[C@H](NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCOCCOCCOCCCN	COC(=O)CCC(NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCCCOCCOCCOCCCN	LPSZREKWDRGGGW-ACHIHNKUSA-N	.							
PDC_01214	Tripeptide 54 - Methotrexate conjugate	18	27	"InChI=1S/C37H55N11O10/c1-48(23-25-22-42-33-31(43-25)32(39)46-37(40)47-33)26-8-6-24(7-9-26)34(51)44-28(11-13-30(50)55-3)36(53)45-27(10-12-29(49)54-2)35(52)41-15-5-17-57-19-21-58-20-18-56-16-4-14-38/h6-9,22,27-28H,4-5,10-21,23,38H2,1-3H3,(H,41,52)(H,44,51)(H,45,53)(H4,39,40,42,46,47)/t27-,28-/m0/s1"	COC(=O)CC[C@H](NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)N[C@@H](CCC(=O)OC)C(=O)NCCCOCCOCCOCCCN	COC(=O)CCC(NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)NC(CCC(=O)OC)C(=O)NCCCOCCOCCOCCCN	LNDFBCBUTJAAHP-NSOVKSMOSA-N	.							
PDC_01215	Tripeptide 55 - Methotrexate conjugate	16	26	"InChI=1S/C37H57N11O8/c1-5-24(2)30(36(52)41-15-7-17-55-19-21-56-20-18-54-16-6-14-38)45-35(51)28(12-13-29(49)53-4)44-34(50)25-8-10-27(11-9-25)48(3)23-26-22-42-33-31(43-26)32(39)46-37(40)47-33/h8-11,22,24,28,30H,5-7,12-21,23,38H2,1-4H3,(H,41,52)(H,44,50)(H,45,51)(H4,39,40,42,46,47)/t24-,28-,30-/m0/s1"	CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)OC)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)NCCCOCCOCCOCCCN	CCC(C)C(NC(=O)C(CCC(=O)OC)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)NCCCOCCOCCOCCCN	KLWJUBDBLHMYDH-GVTDLTHXSA-N	.							
PDC_01216	Tripeptide 56 - Methotrexate conjugate 1	16	26	"InChI=1S/C40H55N11O8/c1-51(26-29-25-45-36-34(46-29)35(42)49-40(43)50-36)30-12-10-28(11-13-30)37(53)47-31(14-15-33(52)56-2)39(55)48-32(24-27-8-4-3-5-9-27)38(54)44-17-7-19-58-21-23-59-22-20-57-18-6-16-41/h3-5,8-13,25,31-32H,6-7,14-24,26,41H2,1-2H3,(H,44,54)(H,47,53)(H,48,55)(H4,42,43,45,49,50)/t31-,32-/m0/s1"	COC(=O)CC[C@H](NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCOCCOCCOCCCN	COC(=O)CCC(NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)NC(Cc1ccccc1)C(=O)NCCCOCCOCCOCCCN	VZUPRWGIQIKUMA-ACHIHNKUSA-N	.							
PDC_01217	Tripeptide 56 - Methotrexate conjugate 2	17	28	"InChI=1S/C42H58N12O9/c1-54(27-30-25-47-38-36(49-30)37(44)52-42(45)53-38)31-12-10-29(11-13-31)39(57)50-32(14-15-35(56)60-2)41(59)51-33(24-28-8-4-3-5-9-28)40(58)48-26-34(55)46-17-7-19-62-21-23-63-22-20-61-18-6-16-43/h3-5,8-13,25,32-33H,6-7,14-24,26-27,43H2,1-2H3,(H,46,55)(H,48,58)(H,50,57)(H,51,59)(H4,44,45,47,52,53)/t32-,33-/m0/s1"	COC(=O)CC[C@H](NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCCCOCCOCCOCCCN	COC(=O)CCC(NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)NC(Cc1ccccc1)C(=O)NCC(=O)NCCCOCCOCCOCCCN	PZEJITXHNHBYBE-LQJZCPKCSA-N	.							
PDC_01218	Tripeptide 57 - Methotrexate conjugate 1	16	23	"InChI=1S/C46H56N12O8/c1-58(27-31-26-50-40-38(51-31)39(48)56-46(49)57-40)32-19-17-30(18-20-32)41(60)52-33(21-22-37(59)65-2)42(61)54-36(25-29-14-8-5-9-15-29)44(63)55-35(24-28-12-6-4-7-13-28)43(62)53-34(45(64)66-3)16-10-11-23-47/h4-9,12-15,17-20,26,33-36H,10-11,16,21-25,27,47H2,1-3H3,(H,52,60)(H,53,62)(H,54,61)(H,55,63)(H4,48,49,50,56,57)/t33-,34-,35-,36-/m0/s1"	COC(=O)CC[C@H](NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)OC	COC(=O)CCC(NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCCN)C(=O)OC	OMLLBDRDSBTKSO-ZYADHFCISA-N	.							
PDC_01219	Tripeptide 50 - Methotrexate conjugate 2	14	22	"InChI=1S/C44H54N12O6/c1-56(27-31-26-49-39-37(50-31)38(46)54-44(47)55-39)32-18-16-30(17-19-32)40(58)51-33(20-21-36(57)62-2)42(60)53-35(25-29-14-8-4-9-15-29)43(61)52-34(24-28-12-6-3-7-13-28)41(59)48-23-11-5-10-22-45/h3-4,6-9,12-19,26,33-35H,5,10-11,20-25,27,45H2,1-2H3,(H,48,59)(H,51,58)(H,52,61)(H,53,60)(H4,46,47,49,54,55)/t33-,34-,35-/m0/s1"	COC(=O)CC[C@H](NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCCN	COC(=O)CCC(NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCCCCCN	WZDPMAJEQDJYGI-IMKBVMFZSA-N	.							
PDC_01220	Tripeptide 57 - Methotrexate conjugate 2	15	22	"InChI=1S/C43H52N12O7/c1-55(26-30-25-48-38-36(49-30)37(45)53-43(46)54-38)31-15-13-29(14-16-31)39(57)50-32(17-18-35(56)61-2)41(59)52-34(24-28-11-7-4-8-12-28)42(60)51-33(23-27-9-5-3-6-10-27)40(58)47-20-22-62-21-19-44/h3-16,25,32-34H,17-24,26,44H2,1-2H3,(H,47,58)(H,50,57)(H,51,60)(H,52,59)(H4,45,46,48,53,54)/t32-,33-,34-/m0/s1"	COC(=O)CC[C@H](NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCOCCN	COC(=O)CCC(NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCCOCCN	JBLCNPCNQDOHJM-AFEGWXKPSA-N	.							
PDC_01221	Tripeptide 57 - Methotrexate conjugate 3	16	25	"InChI=1S/C45H56N12O8/c1-57(28-32-27-50-40-38(51-32)39(47)55-45(48)56-40)33-15-13-31(14-16-33)41(59)52-34(17-18-37(58)63-2)43(61)54-36(26-30-11-7-4-8-12-30)44(62)53-35(25-29-9-5-3-6-10-29)42(60)49-20-22-65-24-23-64-21-19-46/h3-16,27,34-36H,17-26,28,46H2,1-2H3,(H,49,60)(H,52,59)(H,53,62)(H,54,61)(H4,47,48,50,55,56)/t34-,35-,36-/m0/s1"	COC(=O)CC[C@H](NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCOCCOCCN	COC(=O)CCC(NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCCOCCOCCN	PHCPMRMQQKTTPN-KVBYWJEESA-N	.							
PDC_01222	Tripeptide 57 - Methotrexate conjugate 4	16	27	"InChI=1S/C47H60N12O8/c1-59(30-34-29-52-42-40(53-34)41(49)57-47(50)58-42)35-17-15-33(16-18-35)43(61)54-36(19-20-39(60)65-2)45(63)56-38(28-32-13-7-4-8-14-32)46(64)55-37(27-31-11-5-3-6-12-31)44(62)51-22-10-24-67-26-25-66-23-9-21-48/h3-8,11-18,29,36-38H,9-10,19-28,30,48H2,1-2H3,(H,51,62)(H,54,61)(H,55,64)(H,56,63)(H4,49,50,52,57,58)/t36-,37-,38-/m0/s1"	COC(=O)CC[C@H](NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCOCCOCCCN	COC(=O)CCC(NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCCCOCCOCCCN	ADXRMKDXANUEHV-QXUSSCGESA-N	.							
PDC_01223	Tripeptide 57 - Methotrexate conjugate 5	16	29	"InChI=1S/C49H64N12O8/c1-61(32-36-31-54-44-42(55-36)43(51)59-49(52)60-44)37-19-17-35(18-20-37)45(63)56-38(21-22-41(62)67-2)47(65)58-40(30-34-15-7-4-8-16-34)48(66)57-39(29-33-13-5-3-6-14-33)46(64)53-24-12-28-69-26-10-9-25-68-27-11-23-50/h3-8,13-20,31,38-40H,9-12,21-30,32,50H2,1-2H3,(H,53,64)(H,56,63)(H,57,66)(H,58,65)(H4,51,52,54,59,60)/t38-,39-,40-/m0/s1"	COC(=O)CC[C@H](NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCOCCCCOCCCN	COC(=O)CCC(NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCCCOCCCCOCCCN	GQOPVWUXPYMXEH-MXVPUGLGSA-N	.							
PDC_01224	Tripeptide 57 - Methotrexate conjugate 6	17	30	"InChI=1S/C49H64N12O9/c1-61(32-36-31-54-44-42(55-36)43(51)59-49(52)60-44)37-17-15-35(16-18-37)45(63)56-38(19-20-41(62)67-2)47(65)58-40(30-34-13-7-4-8-14-34)48(66)57-39(29-33-11-5-3-6-12-33)46(64)53-22-10-24-69-26-28-70-27-25-68-23-9-21-50/h3-8,11-18,31,38-40H,9-10,19-30,32,50H2,1-2H3,(H,53,64)(H,56,63)(H,57,66)(H,58,65)(H4,51,52,54,59,60)/t38-,39-,40-/m0/s1"	COC(=O)CC[C@H](NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCOCCOCCOCCCN	COC(=O)CCC(NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCCCOCCOCCOCCCN	BNYKZELVHMFNOY-MXVPUGLGSA-N	.							
PDC_01225	Tripeptide 50 - Methotrexate conjugate 3	14	20	"InChI=1S/C42H50N12O6/c1-3-60-34(55)19-18-31(49-38(56)28-14-16-30(17-15-28)54(2)25-29-24-47-37-35(48-29)36(44)52-42(45)53-37)40(58)51-33(23-27-12-8-5-9-13-27)41(59)50-32(39(57)46-21-20-43)22-26-10-6-4-7-11-26/h4-17,24,31-33H,3,18-23,25,43H2,1-2H3,(H,46,57)(H,49,56)(H,50,59)(H,51,58)(H4,44,45,47,52,53)/t31-,32-,33-/m0/s1"	CCOC(=O)CC[C@H](NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN	CCOC(=O)CCC(NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCCN	GBOKFSBRBREOEO-ZDCRTTOTSA-N	.							
PDC_01226	Tripeptide 58 - Methotrexate conjugate	18	34	"InChI=1S/C52H68N14O11/c1-66(32-36-31-58-46-44(59-36)45(55)64-52(56)65-46)37-16-14-35(15-17-37)47(70)60-38(18-19-43(68)69)49(72)63-41(30-42(54)67)51(74)62-40(29-34-12-6-3-7-13-34)50(73)61-39(28-33-10-4-2-5-11-33)48(71)57-21-9-23-76-25-27-77-26-24-75-22-8-20-53/h2-7,10-17,31,38-41H,8-9,18-30,32,53H2,1H3,(H2,54,67)(H,57,71)(H,60,70)(H,61,73)(H,62,74)(H,63,72)(H,68,69)(H4,55,56,58,64,65)/t38-,39-,40-,41-/m0/s1"	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOCCOCCOCCCN)cc1	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)NC(CC(N)=O)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2ccccc2)C(=O)NCCCOCCOCCOCCCN)cc1	WNWYLBQKQYBZAX-MFDNGWNGSA-N	.							
PDC_01227	Tripeptide 57 - Methotrexate conjugate 7	18	31	"InChI=1S/C54H72N12O11/c1-54(2,3)77-53(72)58-25-13-27-75-29-31-76-30-28-74-26-12-24-57-49(69)42(32-36-14-8-6-9-15-36)62-51(71)43(33-37-16-10-7-11-17-37)63-50(70)41(22-23-44(67)73-5)61-48(68)38-18-20-40(21-19-38)66(4)35-39-34-59-47-45(60-39)46(55)64-52(56)65-47/h6-11,14-21,34,41-43H,12-13,22-33,35H2,1-5H3,(H,57,69)(H,58,72)(H,61,68)(H,62,71)(H,63,70)(H4,55,56,59,64,65)/t41-,42-,43-/m0/s1"	COC(=O)CC[C@H](NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCOCCOCCOCCCNC(=O)OC(C)(C)C	COC(=O)CCC(NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCCCOCCOCCOCCCNC(=O)OC(C)(C)C	PAMOYEIDUPLUHJ-SVWSIEHRSA-N	.							
PDC_01228	Tripeptide 57 - Methotrexate conjugate 8	15	21	"InChI=1S/C47H58N12O8/c1-6-66-37(60)22-21-34(54-41(61)31-17-19-33(20-18-31)59(5)28-32-27-52-40-38(53-32)39(48)57-45(49)58-40)43(63)56-36(26-30-15-11-8-12-16-30)44(64)55-35(25-29-13-9-7-10-14-29)42(62)50-23-24-51-46(65)67-47(2,3)4/h7-20,27,34-36H,6,21-26,28H2,1-5H3,(H,50,62)(H,51,65)(H,54,61)(H,55,64)(H,56,63)(H4,48,49,52,57,58)/t34-,35-,36-/m0/s1"	CCOC(=O)CC[C@H](NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCNC(=O)OC(C)(C)C	CCOC(=O)CCC(NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCCNC(=O)OC(C)(C)C	OSLMOPAJSMBYAJ-KVBYWJEESA-N	.							
PDC_01229	Tripeptide 59 - Methotrexate conjugate 1	18	32	"InChI=1S/C53H77N13O11/c1-52(2,3)44(63-42(69)22-20-40(54)67)49(72)58-24-12-26-75-28-30-76-29-27-74-25-11-23-57-48(71)39(31-34-13-9-8-10-14-34)61-41(68)21-19-38(50(73)77-53(4,5)6)62-47(70)35-15-17-37(18-16-35)66(7)33-36-32-59-46-43(60-36)45(55)64-51(56)65-46/h8-10,13-18,32,38-39,44H,11-12,19-31,33H2,1-7H3,(H2,54,67)(H,57,71)(H,58,72)(H,61,68)(H,62,70)(H,63,69)(H4,55,56,59,64,65)/t38-,39-,44+/m0/s1"	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOCCOCCOCCCNC(=O)[C@@H](NC(=O)CCC(N)=O)C(C)(C)C)C(=O)OC(C)(C)C)cc1	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)NC(Cc2ccccc2)C(=O)NCCCOCCOCCOCCCNC(=O)C(NC(=O)CCC(N)=O)C(C)(C)C)C(=O)OC(C)(C)C)cc1	HMFFKCCARZDWKU-WVSZGQIDSA-N	.							
PDC_01230	Tripeptide 59 - Methotrexate conjugate 2	18	32	"InChI=1S/C53H77N13O11/c1-52(2,3)44(63-41(68)21-20-40(54)67)50(73)58-24-12-26-75-28-30-76-29-27-74-25-11-23-57-48(71)39(31-34-13-9-8-10-14-34)62-49(72)38(19-22-42(69)77-53(4,5)6)61-47(70)35-15-17-37(18-16-35)66(7)33-36-32-59-46-43(60-36)45(55)64-51(56)65-46/h8-10,13-18,32,38-39,44H,11-12,19-31,33H2,1-7H3,(H2,54,67)(H,57,71)(H,58,73)(H,61,70)(H,62,72)(H,63,68)(H4,55,56,59,64,65)/t38-,39-,44+/m0/s1"	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOCCOCCOCCCNC(=O)[C@@H](NC(=O)CCC(N)=O)C(C)(C)C)cc1	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)OC(C)(C)C)C(=O)NC(Cc2ccccc2)C(=O)NCCCOCCOCCOCCCNC(=O)C(NC(=O)CCC(N)=O)C(C)(C)C)cc1	DQAAQMIIXNWKIY-WVSZGQIDSA-N	.							
PDC_01232	Tetrapeptide 15 - Methotrexate conjugate	19	36	"InChI=1S/C62H86N14O12/c1-61(2,3)52(73-49(78)26-25-48(63)77)59(84)67-29-15-31-86-33-35-87-34-32-85-30-14-28-66-56(81)46(36-40-16-10-8-11-17-40)71-58(83)47(37-41-18-12-9-13-19-41)72-57(82)45(24-27-50(79)88-62(4,5)6)70-55(80)42-20-22-44(23-21-42)76(7)39-43-38-68-54-51(69-43)53(64)74-60(65)75-54/h8-13,16-23,38,45-47,52H,14-15,24-37,39H2,1-7H3,(H2,63,77)(H,66,81)(H,67,84)(H,70,80)(H,71,83)(H,72,82)(H,73,78)(H4,64,65,68,74,75)/t45-,46-,47-,52+/m0/s1"	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOCCOCCOCCCNC(=O)[C@@H](NC(=O)CCC(N)=O)C(C)(C)C)cc1	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)OC(C)(C)C)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2ccccc2)C(=O)NCCCOCCOCCOCCCNC(=O)C(NC(=O)CCC(N)=O)C(C)(C)C)cc1	WCBBJAJIJNONJL-BRSFNYMHSA-N	.							
PDC_01233	Tetrapeptide 16 - Methotrexate conjugate	21	40	"InChI=1S/C66H92N16O14/c1-65(2,3)55(79-53(86)27-25-50(67)83)62(91)72-29-15-31-94-33-35-95-34-32-93-30-14-28-71-59(88)47(36-41-16-10-8-11-17-41)77-60(89)48(37-42-18-12-9-13-19-42)78-61(90)49(38-51(68)84)75-52(85)26-24-46(63(92)96-66(4,5)6)76-58(87)43-20-22-45(23-21-43)82(7)40-44-39-73-57-54(74-44)56(69)80-64(70)81-57/h8-13,16-23,39,46-49,55H,14-15,24-38,40H2,1-7H3,(H2,67,83)(H2,68,84)(H,71,88)(H,72,91)(H,75,85)(H,76,87)(H,77,89)(H,78,90)(H,79,86)(H4,69,70,73,80,81)/t46-,47-,48-,49-,55+/m0/s1"	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOCCOCCOCCCNC(=O)[C@@H](NC(=O)CCC(N)=O)C(C)(C)C)C(=O)OC(C)(C)C)cc1	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)NC(CC(N)=O)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2ccccc2)C(=O)NCCCOCCOCCOCCCNC(=O)C(NC(=O)CCC(N)=O)C(C)(C)C)C(=O)OC(C)(C)C)cc1	XVYMPDWHSWNFCP-CVXMWHPVSA-N	.							
PDC_01234	Tetrapeptide 17 - Methotrexate conjugate	21	40	"InChI=1S/C66H92N16O14/c1-65(2,3)55(79-52(85)26-25-50(67)83)63(92)72-29-15-31-94-33-35-95-34-32-93-30-14-28-71-59(88)47(36-41-16-10-8-11-17-41)76-61(90)48(37-42-18-12-9-13-19-42)77-62(91)49(38-51(68)84)78-60(89)46(24-27-53(86)96-66(4,5)6)75-58(87)43-20-22-45(23-21-43)82(7)40-44-39-73-57-54(74-44)56(69)80-64(70)81-57/h8-13,16-23,39,46-49,55H,14-15,24-38,40H2,1-7H3,(H2,67,83)(H2,68,84)(H,71,88)(H,72,92)(H,75,87)(H,76,90)(H,77,91)(H,78,89)(H,79,85)(H4,69,70,73,80,81)/t46-,47-,48-,49-,55+/m0/s1"	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOCCOCCOCCCNC(=O)[C@@H](NC(=O)CCC(N)=O)C(C)(C)C)cc1	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)OC(C)(C)C)C(=O)NC(CC(N)=O)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2ccccc2)C(=O)NCCCOCCOCCOCCCNC(=O)C(NC(=O)CCC(N)=O)C(C)(C)C)cc1	XROSXBDMODGIDO-CVXMWHPVSA-N	.							
PDC_01235	Tetrapeptide 18 - Methotrexate conjugate	21	40	"InChI=1S/C63H94N16O14/c1-39(2)33-45(57(86)71-36-50(83)67-25-13-27-90-29-31-92-32-30-91-28-14-26-68-59(88)53(62(3,4)5)76-49(82)24-22-47(64)80)75-58(87)46(34-40-15-11-10-12-16-40)73-51(84)37-69-48(81)23-21-44(60(89)93-63(6,7)8)74-56(85)41-17-19-43(20-18-41)79(9)38-42-35-70-55-52(72-42)54(65)77-61(66)78-55/h10-12,15-20,35,39,44-46,53H,13-14,21-34,36-38H2,1-9H3,(H2,64,80)(H,67,83)(H,68,88)(H,69,81)(H,71,86)(H,73,84)(H,74,85)(H,75,87)(H,76,82)(H4,65,66,70,77,78)/t44-,45-,46-,53+/m0/s1"	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CC[C@H](NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)OC(C)(C)C)C(=O)NCC(=O)NCCCOCCOCCOCCCNC(=O)[C@@H](NC(=O)CCC(N)=O)C(C)(C)C	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CCC(NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)OC(C)(C)C)C(=O)NCC(=O)NCCCOCCOCCOCCCNC(=O)C(NC(=O)CCC(N)=O)C(C)(C)C	BOZKCSQVBMZLSY-GMDFRNMISA-N	.							
PDC_01236	Pentapeptide 12 - Methotrexate conjugate	21	40	"InChI=1S/C63H94N16O14/c1-39(2)33-45(58(87)70-36-49(82)67-25-13-27-90-29-31-92-32-30-91-28-14-26-68-60(89)53(62(3,4)5)76-48(81)23-22-47(64)80)75-59(88)46(34-40-15-11-10-12-16-40)73-50(83)37-71-57(86)44(21-24-51(84)93-63(6,7)8)74-56(85)41-17-19-43(20-18-41)79(9)38-42-35-69-55-52(72-42)54(65)77-61(66)78-55/h10-12,15-20,35,39,44-46,53H,13-14,21-34,36-38H2,1-9H3,(H2,64,80)(H,67,82)(H,68,89)(H,70,87)(H,71,86)(H,73,83)(H,74,85)(H,75,88)(H,76,81)(H4,65,66,69,77,78)/t44-,45-,46-,53+/m0/s1"	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)NCC(=O)NCCCOCCOCCOCCCNC(=O)[C@@H](NC(=O)CCC(N)=O)C(C)(C)C	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)NCC(=O)NCCCOCCOCCOCCCNC(=O)C(NC(=O)CCC(N)=O)C(C)(C)C	IUYMMBGBIYDUKX-GMDFRNMISA-N	.							
PDC_01237	Polyarginine 5 - Deacetylvinblastine conjugate	27	58	"InChI=1S/C102H160N38O17/c1-6-98(154)50-55-51-101(89(153)157-5,75-59(33-45-139(53-55)54-98)58-22-9-11-24-63(58)128-75)61-48-60-73(49-74(61)156-4)138(3)86-100(60)35-46-140-44-20-34-99(7-2,85(100)140)87(151)102(86,155)88(152)137-72(47-56-52-127-62-23-10-8-21-57(56)62)83(148)135-69(30-17-41-124-95(113)114)81(146)133-67(28-15-39-122-93(109)110)79(144)131-65(26-13-37-120-91(105)106)77(142)129-64(25-12-36-119-90(103)104)76(141)130-66(27-14-38-121-92(107)108)78(143)132-68(29-16-40-123-94(111)112)80(145)134-70(31-18-42-125-96(115)116)82(147)136-71(84(149)150)32-19-43-126-97(117)118/h8-11,20-24,34,48-49,52,55,64-72,85-87,127-128,151,154-155H,6-7,12-19,25-33,35-47,50-51,53-54H2,1-5H3,(H,129,142)(H,130,141)(H,131,144)(H,132,143)(H,133,146)(H,134,145)(H,135,148)(H,136,147)(H,137,152)(H,149,150)(H4,103,104,119)(H4,105,106,120)(H4,107,108,121)(H4,109,110,122)(H4,111,112,123)(H4,113,114,124)(H4,115,116,125)(H4,117,118,126)/t55-,64-,65-,66-,67-,68-,69-,70-,71-,72+,85-,86+,87+,98-,99+,100+,101-,102-/m0/s1"	CC[C@]1(O)C[C@@H]2C[N@@](CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)N[C@H](Cc5c[nH]c6ccccc56)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)NC(Cc5c[nH]c6ccccc56)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)O)C(O)C5(CC)C=CCN6CCC43C65)C2)C1	YCIGAVLAWOEGPB-CROVNNQXSA-N	.							
PDC_01239	Polyarginine 6 - Deacetylvinblastine conjugate 1	23	46	"InChI=1S/C90H136N30O15/c1-6-86(132)44-49-45-89(79(131)135-5,67-53(29-39-119(47-49)48-86)52-20-9-11-22-57(52)110-67)55-42-54-65(43-66(55)134-4)118(3)76-88(54)31-40-120-38-18-30-87(7-2,75(88)120)77(129)90(76,133)78(130)117-64(41-50-46-109-56-21-10-8-19-51(50)56)73(126)115-61(26-15-35-106-83(97)98)71(124)113-59(24-13-33-104-81(93)94)69(122)111-58(23-12-32-103-80(91)92)68(121)112-60(25-14-34-105-82(95)96)70(123)114-62(27-16-36-107-84(99)100)72(125)116-63(74(127)128)28-17-37-108-85(101)102/h8-11,18-22,30,42-43,46,49,58-64,75-77,109-110,129,132-133H,6-7,12-17,23-29,31-41,44-45,47-48H2,1-5H3,(H,111,122)(H,112,121)(H,113,124)(H,114,123)(H,115,126)(H,116,125)(H,117,130)(H,127,128)(H4,91,92,103)(H4,93,94,104)(H4,95,96,105)(H4,97,98,106)(H4,99,100,107)(H4,101,102,108)/t49-,58-,59-,60-,61-,62-,63-,64+,75-,76+,77+,86-,87+,88+,89-,90-/m0/s1"	CC[C@]1(O)C[C@@H]2C[N@@](CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)N[C@H](Cc5c[nH]c6ccccc56)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)NC(Cc5c[nH]c6ccccc56)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)O)C(O)C5(CC)C=CCN6CCC43C65)C2)C1	LADUUHVZSAUJJT-YRCCIPMSSA-N	.							
PDC_01240	Polyarginine 6 - Deacetylvinblastine conjugate 2	23	46	"InChI=1S/C90H136N30O15/c1-6-86(132)44-49-45-89(79(131)135-5,67-53(29-39-119(47-49)48-86)52-20-9-11-22-57(52)110-67)55-42-54-65(43-66(55)134-4)118(3)76-88(54)31-40-120-38-18-30-87(7-2,75(88)120)77(129)90(76,133)78(130)117-64(41-50-46-109-56-21-10-8-19-51(50)56)73(126)115-61(26-15-35-106-83(97)98)71(124)113-59(24-13-33-104-81(93)94)69(122)111-58(23-12-32-103-80(91)92)68(121)112-60(25-14-34-105-82(95)96)70(123)114-62(27-16-36-107-84(99)100)72(125)116-63(74(127)128)28-17-37-108-85(101)102/h8-11,18-22,30,42-43,46,49,58-64,75-77,109-110,129,132-133H,6-7,12-17,23-29,31-41,44-45,47-48H2,1-5H3,(H,111,122)(H,112,121)(H,113,124)(H,114,123)(H,115,126)(H,116,125)(H,117,130)(H,127,128)(H4,91,92,103)(H4,93,94,104)(H4,95,96,105)(H4,97,98,106)(H4,99,100,107)(H4,101,102,108)/t49-,58-,59-,60-,61-,62-,63-,64-,75-,76+,77+,86-,87+,88+,89-,90-/m0/s1"	CC[C@]1(O)C[C@@H]2C[N@@](CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)N[C@@H](Cc5c[nH]c6ccccc56)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)NC(Cc5c[nH]c6ccccc56)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)O)C(O)C5(CC)C=CCN6CCC43C65)C2)C1	LADUUHVZSAUJJT-XXQNIXQLSA-N	.							
PDC_01241	Polyarginine 7 - Deacetylvinblastine conjugate 3	19	34	"InChI=1S/C78H112N22O13/c1-6-74(110)38-43-39-77(69(109)113-5,59-47(25-33-99(41-43)42-74)46-18-9-11-20-51(46)92-59)49-36-48-57(37-58(49)112-4)98(3)66-76(48)27-34-100-32-16-26-75(7-2,65(76)100)67(107)78(66,111)68(108)97-56(35-44-40-91-50-19-10-8-17-45(44)50)63(104)95-53(22-13-29-88-71(81)82)61(102)93-52(21-12-28-87-70(79)80)60(101)94-54(23-14-30-89-72(83)84)62(103)96-55(64(105)106)24-15-31-90-73(85)86/h8-11,16-20,26,36-37,40,43,52-56,65-67,91-92,107,110-111H,6-7,12-15,21-25,27-35,38-39,41-42H2,1-5H3,(H,93,102)(H,94,101)(H,95,104)(H,96,103)(H,97,108)(H,105,106)(H4,79,80,87)(H4,81,82,88)(H4,83,84,89)(H4,85,86,90)/t43-,52-,53-,54-,55-,56+,65-,66+,67+,74-,75+,76+,77-,78-/m0/s1"	CC[C@]1(O)C[C@@H]2C[N@@](CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)N[C@H](Cc5c[nH]c6ccccc56)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)NC(Cc5c[nH]c6ccccc56)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)O)C(O)C5(CC)C=CCN6CCC43C65)C2)C1	JGZUBNNBAOFEJI-NGNXDNOKSA-N	.							
PDC_01242	Polyarginine 7 - Deacetylvinblastine conjugate 4	19	34	"InChI=1S/C78H112N22O13/c1-6-74(110)38-43-39-77(69(109)113-5,59-47(25-33-99(41-43)42-74)46-18-9-11-20-51(46)92-59)49-36-48-57(37-58(49)112-4)98(3)66-76(48)27-34-100-32-16-26-75(7-2,65(76)100)67(107)78(66,111)68(108)97-56(35-44-40-91-50-19-10-8-17-45(44)50)63(104)95-53(22-13-29-88-71(81)82)61(102)93-52(21-12-28-87-70(79)80)60(101)94-54(23-14-30-89-72(83)84)62(103)96-55(64(105)106)24-15-31-90-73(85)86/h8-11,16-20,26,36-37,40,43,52-56,65-67,91-92,107,110-111H,6-7,12-15,21-25,27-35,38-39,41-42H2,1-5H3,(H,93,102)(H,94,101)(H,95,104)(H,96,103)(H,97,108)(H,105,106)(H4,79,80,87)(H4,81,82,88)(H4,83,84,89)(H4,85,86,90)/t43-,52-,53-,54-,55-,56-,65-,66+,67+,74-,75+,76+,77-,78-/m0/s1"	CC[C@]1(O)C[C@@H]2C[N@@](CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)N[C@@H](Cc5c[nH]c6ccccc56)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)NC(Cc5c[nH]c6ccccc56)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)O)C(O)C5(CC)C=CCN6CCC43C65)C2)C1	JGZUBNNBAOFEJI-OBZKBKMZSA-N	.							
PDC_01243	Tetrapeptide 19 - Doxorubicin conjugate	14	9	"InChI=1S/C37H45N3O13/c1-15(2)29(38)36(49)40-10-6-8-20(40)35(48)39-19-11-24(52-16(3)30(19)43)53-22-13-37(50,23(42)14-41)12-18-26(22)34(47)28-27(32(18)45)31(44)17-7-5-9-21(51-4)25(17)33(28)46/h5,7,9,15-16,19-20,22,24,29-30,41,43,45,47,50H,6,8,10-14,38H2,1-4H3,(H,39,48)/t16-,19-,20-,22-,24-,29-,30+,37-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)C(C)C)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)C2CCCN2C(=O)C(N)C(C)C)C(O)C(C)O1	IRQNBIOQROSEKG-PPJYNVGHSA-N	.							
PDC_01244	Dipeptide 24 - Doxorubicin conjugate	15	12	"InChI=1S/C52H55N3O15/c1-24(2)43(54-51(65)68-23-32-28-13-7-5-11-26(28)27-12-6-8-14-29(27)32)50(64)55-18-10-16-34(55)49(63)53-33-19-38(69-25(3)44(33)58)70-36-21-52(66,37(57)22-56)20-31-40(36)48(62)42-41(46(31)60)45(59)30-15-9-17-35(67-4)39(30)47(42)61/h5-9,11-15,17,24-25,32-34,36,38,43-44,56,58,60,62,66H,10,16,18-23H2,1-4H3,(H,53,63)(H,54,65)/t25-,33-,34-,36-,38-,43-,44+,52-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)C2CCCN2C(=O)C(NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)C(O)C(C)O1	LYVKBYBWMNQDPI-GIZCJOENSA-N	.							
PDC_01245	"Tetrapeptide 20 - 4-amino-1-[3,5-bis-O-[(1,1-dimethylethyl)dimethylsilyl]-&beta;-D-arabinofuranosyl]-2(1H)-Pyrimidinone conjugate"	13	17	"InChI=1S/C56H83N7O11Si2/c1-33(2)44(59-49(66)41-26-20-29-62(41)51(68)45(34(3)4)60-54(70)71-31-39-37-23-17-15-21-35(37)36-22-16-18-24-38(36)39)50(67)61-28-19-25-40(61)48(65)57-43-27-30-63(53(69)58-43)52-46(64)47(74-76(13,14)56(8,9)10)42(73-52)32-72-75(11,12)55(5,6)7/h15-18,21-24,27,30,33-34,39-42,44-47,52,64H,19-20,25-26,28-29,31-32H2,1-14H3,(H,59,66)(H,60,70)(H,57,58,65,69)/t40-,41-,42+,44-,45-,46-,47+,52+/m0/s1"	CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)c(=O)n1)C(C)C	CC(C)C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCC1C(=O)NC(C(=O)N1CCCC1C(=O)Nc1ccn(C2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)c(=O)n1)C(C)C	ONSFOJFJBZLFBQ-JGPKACAISA-N	.							
PDC_01246	Tetrapeptide 20 - Cytarabine conjugate	.	.	.	.	.	.	.							
PDC_01249	Dipeptide 25 - Cytarabine conjugate	.	.	.	.	.	.	.							
PDC_01250	Tetrapeptide 20 - Vidarabine conjugate 1	13	10	"InChI=1S/C30H45N9O8/c1-14(2)19(31)28(45)37-9-5-7-16(37)26(43)35-20(15(3)4)29(46)38-10-6-8-17(38)27(44)36-24-21-25(33-12-32-24)39(13-34-21)30-23(42)22(41)18(11-40)47-30/h12-20,22-23,30,40-42H,5-11,31H2,1-4H3,(H,35,43)(H,32,33,36,44)/t16-,17-,18+,19-,20-,22+,23-,30+/m0/s1"	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O)C(C)C	CC(C)C(N)C(=O)N1CCCC1C(=O)NC(C(=O)N1CCCC1C(=O)Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O)C(C)C	OFHVATAONDWZBR-LDOMKLKSSA-N	.							
PDC_01251	Tetrapeptide 20 - Vidarabine conjugate 2	14	13	"InChI=1S/C38H51N9O10/c1-20(2)26(42-33(51)23-12-8-14-45(23)36(54)27(21(3)4)43-38(55)56-17-22-10-6-5-7-11-22)35(53)46-15-9-13-24(46)34(52)44-31-28-32(40-18-39-31)47(19-41-28)37-30(50)29(49)25(16-48)57-37/h5-7,10-11,18-21,23-27,29-30,37,48-50H,8-9,12-17H2,1-4H3,(H,42,51)(H,43,55)(H,39,40,44,52)/t23-,24-,25+,26-,27-,29+,30-,37+/m0/s1"	CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O)C(C)C	CC(C)C(NC(=O)OCc1ccccc1)C(=O)N1CCCC1C(=O)NC(C(=O)N1CCCC1C(=O)Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O)C(C)C	RTLYJQRHOFPHPM-BYXROJAKSA-N	.							
PDC_01252	"Tetrapeptide 20 - 9-[3,5-Bis-O-[(1,1-dimethylethyl)dimethylsilyl]-&beta;-D-arabinofuranosyl]-9H-purin-6-amine conjugate"	14	17	"InChI=1S/C50H79N9O10Si2/c1-30(2)36(54-43(61)33-22-18-24-57(33)46(64)37(31(3)4)55-48(65)66-26-32-20-16-15-17-21-32)45(63)58-25-19-23-34(58)44(62)56-41-38-42(52-28-51-41)59(29-53-38)47-39(60)40(69-71(13,14)50(8,9)10)35(68-47)27-67-70(11,12)49(5,6)7/h15-17,20-21,28-31,33-37,39-40,47,60H,18-19,22-27H2,1-14H3,(H,54,61)(H,55,65)(H,51,52,56,62)/t33-,34-,35+,36-,37-,39-,40+,47+/m0/s1"	CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)C(C)C	CC(C)C(NC(=O)OCc1ccccc1)C(=O)N1CCCC1C(=O)NC(C(=O)N1CCCC1C(=O)Nc1ncnc2c1ncn2C1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C(C)C	RCKANCCPCVHTOQ-RJCRCVQUSA-N	.							
PDC_01253	"Dipeptide 17 - 9-(2,3,5-Tri-O-acetyl-&beta;-D-arabinofuranosyl)-9H-purin-6-amine conjugate"	15	12	"InChI=1S/C41H45N7O11/c1-21(2)32(45-41(54)56-17-29-27-13-8-6-11-25(27)26-12-7-9-14-28(26)29)39(53)47-16-10-15-30(47)38(52)46-36-33-37(43-19-42-36)48(20-44-33)40-35(58-24(5)51)34(57-23(4)50)31(59-40)18-55-22(3)49/h6-9,11-14,19-21,29-32,34-35,40H,10,15-18H2,1-5H3,(H,45,54)(H,42,43,46,52)/t30-,31+,32-,34+,35-,40+/m0/s1"	CC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC(=O)[C@@H]4CCCN4C(=O)[C@@H](NC(=O)OCC4c5ccccc5-c5ccccc54)C(C)C)ncnc32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	CC(=O)OCC1OC(n2cnc3c(NC(=O)C4CCCN4C(=O)C(NC(=O)OCC4c5ccccc5-c5ccccc54)C(C)C)ncnc32)C(OC(C)=O)C1OC(C)=O	SHNPTJVEBXGHLA-KHOYSZQISA-N	.							
PDC_01254	"Tetrapeptide 21 - 4-amino-1-[3,5-bis-O-[(1,1-dimethylethyl)dimethylsilyl]-&beta;-D-arabinofuranosyl]-2(1H)-Pyrimidinone conjugate"	13	18	"InChI=1S/C54H81N7O11Si2/c1-31(2)42(59-52(68)69-29-38-36-23-18-16-21-34(36)35-22-17-19-24-37(35)38)48(65)55-33(5)46(63)58-43(32(3)4)49(66)60-27-20-25-39(60)47(64)56-41-26-28-61(51(67)57-41)50-44(62)45(72-74(14,15)54(9,10)11)40(71-50)30-70-73(12,13)53(6,7)8/h16-19,21-24,26,28,31-33,38-40,42-45,50,62H,20,25,27,29-30H2,1-15H3,(H,55,65)(H,58,63)(H,59,68)(H,56,57,64,67)/t33-,39-,40+,42-,43-,44-,45+,50+/m0/s1"	CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)c(=O)n1)C(C)C	CC(NC(=O)C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C)C(=O)NC(C(=O)N1CCCC1C(=O)Nc1ccn(C2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)c(=O)n1)C(C)C	NTTDDFRHJKSCSN-BEHIMZSRSA-N	.							
PDC_01255	"Tetrapeptide 20 - 1,7-Dioxa-2-thiaspiro[4.4]nonane, 2(1H)-pyrimidinone deriv. conjugate 1"	15	14	"InChI=1S/C44H76N8O11SSi2/c1-25(2)32(46)38(55)50-20-16-18-28(50)36(53)47-33(26(3)4)39(56)51-21-17-19-29(51)37(54)48-35-27(5)22-52(41(57)49-35)40-34(62-66(14,15)43(9,10)11)44(30(45)24-64(58,59)63-44)31(61-40)23-60-65(12,13)42(6,7)8/h22,24-26,28-29,31-34,40H,16-21,23,45-46H2,1-15H3,(H,47,53)(H,48,49,54,57)/t28-,29-,31+,32-,33-,34-,40+,44+/m0/s1"	Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)nc1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(C)C	Cc1cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c(=O)nc1NC(=O)C1CCCN1C(=O)C(NC(=O)C1CCCN1C(=O)C(N)C(C)C)C(C)C	OCHYAQSOVGSHCG-GSRBYYPESA-N	.							
PDC_01256	"Tetrapeptide 20 - 1,7-Dioxa-2-thiaspiro[4.4]nonane, 2(1H)-pyrimidinone deriv. conjugate 2"	16	17	"InChI=1S/C52H82N8O13SSi2/c1-31(2)39(54-43(61)35-23-19-25-58(35)46(64)40(32(3)4)55-49(66)69-28-34-21-17-16-18-22-34)45(63)59-26-20-24-36(59)44(62)56-42-33(5)27-60(48(65)57-42)47-41(72-76(14,15)51(9,10)11)52(37(53)30-74(67,68)73-52)38(71-47)29-70-75(12,13)50(6,7)8/h16-18,21-22,27,30-32,35-36,38-41,47H,19-20,23-26,28-29,53H2,1-15H3,(H,54,61)(H,55,66)(H,56,57,62,65)/t35-,36-,38+,39-,40-,41-,47+,52+/m0/s1"	Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)nc1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C	Cc1cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c(=O)nc1NC(=O)C1CCCN1C(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)OCc1ccccc1)C(C)C)C(C)C	WLUDCCGJQKPLEN-XELQACTASA-N	.							
PDC_01257	Dipeptide 26 - Cytarabine conjugate	11	10	"InChI=1S/C25H33N5O9/c1-13(2)18(29-25(37)38-12-15-7-5-4-6-8-15)22(35)26-14(3)21(34)27-17-9-10-30(24(36)28-17)23-20(33)19(32)16(11-31)39-23/h4-10,13-14,16,18-20,23,31-33H,11-12H2,1-3H3,(H,26,35)(H,29,37)(H,27,28,34,36)/t14-,16+,18-,19+,20-,23+/m0/s1"	CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1	CC(NC(=O)C(NC(=O)OCc1ccccc1)C(C)C)C(=O)Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	VTIJXEFNCMKFMC-YIMXOKLUSA-N	.							
PDC_01258	"Dipeptide 17 - 1,7-Dioxa-2-thiaspiro[4.4]nonane, 2(1H)-pyrimidinone deriv. conjugate"	14	13	"InChI=1S/C42H66N6O11SSi2/c1-26(2)32(44-39(52)55-23-28-18-15-14-16-19-28)36(50)47-21-17-20-29(47)35(49)45-34-27(3)22-48(38(51)46-34)37-33(58-62(12,13)41(7,8)9)42(30(43)25-60(53,54)59-42)31(57-37)24-56-61(10,11)40(4,5)6/h14-16,18-19,22,25-26,29,31-33,37H,17,20-21,23-24,43H2,1-13H3,(H,44,52)(H,45,46,49,51)/t29-,31+,32-,33-,37+,42+/m0/s1"	Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)nc1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C	Cc1cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c(=O)nc1NC(=O)C1CCCN1C(=O)C(NC(=O)OCc1ccccc1)C(C)C	RLMHZFWZDOQIKT-MJSVRXMYSA-N	.							
PDC_01259	Tetrapeptide 22 - Kanamycin A derivative conjugate	54	42	"InChI=1S/C140H199N21O46/c1-131(2,3)198-120(178)142-59-90-98(164)102(168)104(170)118(190-90)196-110-82(149-125(183)202-135(13,14)15)56-80(147-123(181)200-133(7,8)9)108(106(110)172)194-116-100(166)94(152-127(185)204-137(19,20)21)96(162)92(192-116)65-158-63-71(154-156-158)54-86(114(176)144-84(112(174)141-58-68-42-32-31-33-43-68)52-69-61-160(129(187)206-139(25,26)27)88-50-40-38-44-73(69)88)146-115(177)87(145-113(175)85(53-70-62-161(130(188)207-140(28,29)30)89-51-41-39-45-74(70)89)151-122(180)189-67-79-77-48-36-34-46-75(77)76-47-35-37-49-78(76)79)55-72-64-159(157-155-72)66-93-97(163)95(153-128(186)205-138(22,23)24)101(167)117(193-93)195-109-81(148-124(182)201-134(10,11)12)57-83(150-126(184)203-136(16,17)18)111(107(109)173)197-119-105(171)103(169)99(165)91(191-119)60-143-121(179)199-132(4,5)6/h31-51,61-64,79-87,90-111,116-119,162-173H,52-60,65-67H2,1-30H3,(H,141,174)(H,142,178)(H,143,179)(H,144,176)(H,145,175)(H,146,177)(H,147,181)(H,148,182)(H,149,183)(H,150,184)(H,151,180)(H,152,185)(H,153,186)/t80-,81-,82+,83+,84+,85+,86+,87+,90-,91-,92-,93-,94+,95+,96-,97-,98-,99-,100-,101-,102+,103+,104-,105-,106-,107-,108+,109+,110-,111-,116-,117-,118-,119-/m1/s1"	CC(C)(C)OC(=O)NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](Cn4cc(C[C@H](NC(=O)[C@H](Cc5cn(C(=O)OC(C)(C)C)c6ccccc56)NC(=O)OCC5c6ccccc6-c6ccccc65)C(=O)N[C@@H](Cc5cn(C[C@H]6O[C@H](O[C@@H]7[C@@H](O)[C@H](O[C@H]8O[C@H](CNC(=O)OC(C)(C)C)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](NC(=O)OC(C)(C)C)C[C@H]7NC(=O)OC(C)(C)C)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)[C@@H]6O)nn5)C(=O)N[C@@H](Cc5cn(C(=O)OC(C)(C)C)c6ccccc56)C(=O)NCc5ccccc5)nn4)[C@@H](O)[C@H](NC(=O)OC(C)(C)C)[C@H]3O)[C@H](NC(=O)OC(C)(C)C)C[C@@H]2NC(=O)OC(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	CC(C)(C)OC(=O)NCC1OC(OC2C(NC(=O)OC(C)(C)C)CC(NC(=O)OC(C)(C)C)C(OC3OC(Cn4cc(CC(NC(=O)C(Cc5cn(C(=O)OC(C)(C)C)c6ccccc56)NC(=O)OCC5c6ccccc6-c6ccccc65)C(=O)NC(Cc5cn(CC6OC(OC7C(NC(=O)OC(C)(C)C)CC(NC(=O)OC(C)(C)C)C(OC8OC(CNC(=O)OC(C)(C)C)C(O)C(O)C8O)C7O)C(O)C(NC(=O)OC(C)(C)C)C6O)nn5)C(=O)NC(Cc5cn(C(=O)OC(C)(C)C)c6ccccc56)C(=O)NCc5ccccc5)nn4)C(O)C(NC(=O)OC(C)(C)C)C3O)C2O)C(O)C(O)C1O	LMUMCBVXZUBGQJ-CXLTXAHCSA-N	.							
PDC_01260	Tripeptide 60 - Kanamycin A derivative conjugate	28	23	"InChI=1S/C81H109N11O24/c1-77(2,3)112-71(101)83-37-56-60(94)62(96)63(97)70(108-56)111-66-52(86-74(104)114-79(7,8)9)35-51(85-73(103)113-78(4,5)6)65(64(66)98)110-69-61(95)58(88-75(105)115-80(10,11)12)59(93)57(109-69)40-91-39-44(89-90-91)34-54(87-72(102)107-41-50-48-30-21-19-28-46(48)47-29-20-22-31-49(47)50)68(100)84-53(67(99)82-36-42-25-17-16-18-26-42)33-43-38-92(76(106)116-81(13,14)15)55-32-24-23-27-45(43)55/h16-32,38-39,50-54,56-66,69-70,93-98H,33-37,40-41H2,1-15H3,(H,82,99)(H,83,101)(H,84,100)(H,85,103)(H,86,104)(H,87,102)(H,88,105)/t51-,52+,53+,54+,56-,57-,58+,59-,60-,61-,62+,63-,64-,65+,66-,69-,70-/m1/s1"	CC(C)(C)OC(=O)NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](Cn4cc(C[C@H](NC(=O)OCC5c6ccccc6-c6ccccc65)C(=O)N[C@@H](Cc5cn(C(=O)OC(C)(C)C)c6ccccc56)C(=O)NCc5ccccc5)nn4)[C@@H](O)[C@H](NC(=O)OC(C)(C)C)[C@H]3O)[C@H](NC(=O)OC(C)(C)C)C[C@@H]2NC(=O)OC(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	CC(C)(C)OC(=O)NCC1OC(OC2C(NC(=O)OC(C)(C)C)CC(NC(=O)OC(C)(C)C)C(OC3OC(Cn4cc(CC(NC(=O)OCC5c6ccccc6-c6ccccc65)C(=O)NC(Cc5cn(C(=O)OC(C)(C)C)c6ccccc56)C(=O)NCc5ccccc5)nn4)C(O)C(NC(=O)OC(C)(C)C)C3O)C2O)C(O)C(O)C1O	MHOQOFMUDFQPQV-LKIUWGAUSA-N	.							
PDC_01261	Tripeptide 61 - Kanamycin A derivative conjugate 1	27	22	"InChI=1S/C69H104N10O24/c1-33(2)46(57(88)70-29-45(80)99-65(3,4)5)75-56(87)42(74-61(90)94-32-39-37-24-20-18-22-35(37)36-23-19-21-25-38(36)39)26-34-30-79(78-77-34)31-44-48(81)47(76-64(93)103-69(15,16)17)50(83)58(96-44)97-54-40(72-62(91)101-67(9,10)11)27-41(73-63(92)102-68(12,13)14)55(53(54)86)98-59-52(85)51(84)49(82)43(95-59)28-71-60(89)100-66(6,7)8/h18-25,30,33,39-44,46-55,58-59,81-86H,26-29,31-32H2,1-17H3,(H,70,88)(H,71,89)(H,72,91)(H,73,92)(H,74,90)(H,75,87)(H,76,93)/t40-,41+,42+,43-,44-,46+,47+,48-,49-,50-,51+,52-,53-,54+,55-,58-,59-/m1/s1"	CC(C)[C@H](NC(=O)[C@H](Cc1cn(C[C@H]2O[C@H](O[C@@H]3[C@@H](O)[C@H](O[C@H]4O[C@H](CNC(=O)OC(C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](NC(=O)OC(C)(C)C)C[C@H]3NC(=O)OC(C)(C)C)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)[C@@H]2O)nn1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)OC(C)(C)C	CC(C)C(NC(=O)C(Cc1cn(CC2OC(OC3C(NC(=O)OC(C)(C)C)CC(NC(=O)OC(C)(C)C)C(OC4OC(CNC(=O)OC(C)(C)C)C(O)C(O)C4O)C3O)C(O)C(NC(=O)OC(C)(C)C)C2O)nn1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)OC(C)(C)C	MBCKBYVLMNDDNN-PYISMKNVSA-N	.							
PDC_01262	Tripeptide 62 - Neomycin B derivative conjugate	32	24	"InChI=1S/C69H120N12O28/c1-31(2)40(53(90)71-28-39(82)103-63(3,4)5)76-52(89)33(70)24-32-29-81(80-79-32)30-38-50(101-55-42(78-62(96)109-69(21,22)23)47(87)45(85)37(98-55)27-73-58(92)105-65(9,10)11)48(88)56(99-38)102-51-43(83)34(74-59(93)106-66(12,13)14)25-35(75-60(94)107-67(15,16)17)49(51)100-54-41(77-61(95)108-68(18,19)20)46(86)44(84)36(97-54)26-72-57(91)104-64(6,7)8/h29,31,33-38,40-51,54-56,83-88H,24-28,30,70H2,1-23H3,(H,71,90)(H,72,91)(H,73,92)(H,74,93)(H,75,94)(H,76,89)(H,77,95)(H,78,96)/t33-,34+,35-,36+,37-,38+,40-,41+,42+,43-,44+,45+,46+,47+,48+,49+,50+,51+,54+,55+,56-/m0/s1"	CC(C)[C@H](NC(=O)[C@@H](N)Cc1cn(C[C@H]2O[C@@H](O[C@@H]3[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C[C@H](NC(=O)OC(C)(C)C)[C@H]3O[C@H]3O[C@H](CNC(=O)OC(C)(C)C)[C@@H](O)[C@H](O)[C@H]3NC(=O)OC(C)(C)C)[C@H](O)[C@@H]2O[C@H]2O[C@@H](CNC(=O)OC(C)(C)C)[C@@H](O)[C@H](O)[C@H]2NC(=O)OC(C)(C)C)nn1)C(=O)NCC(=O)OC(C)(C)C	CC(C)C(NC(=O)C(N)Cc1cn(CC2OC(OC3C(O)C(NC(=O)OC(C)(C)C)CC(NC(=O)OC(C)(C)C)C3OC3OC(CNC(=O)OC(C)(C)C)C(O)C(O)C3NC(=O)OC(C)(C)C)C(O)C2OC2OC(CNC(=O)OC(C)(C)C)C(O)C(O)C2NC(=O)OC(C)(C)C)nn1)C(=O)NCC(=O)OC(C)(C)C	IZWMVAGSMMPNBY-PVGRYFPFSA-N	.							
PDC_01263	Tripeptide 63 - Kanamycin A derivative conjugate	26	19	"InChI=1S/C54H94N10O22/c1-24(2)32(55)43(73)58-28(42(72)56-21-31(65)82-50(3,4)5)18-25-22-64(63-62-25)23-30-34(66)33(61-49(77)86-54(15,16)17)36(68)44(79-30)80-40-26(59-47(75)84-52(9,10)11)19-27(60-48(76)85-53(12,13)14)41(39(40)71)81-45-38(70)37(69)35(67)29(78-45)20-57-46(74)83-51(6,7)8/h22,24,26-30,32-41,44-45,66-71H,18-21,23,55H2,1-17H3,(H,56,72)(H,57,74)(H,58,73)(H,59,75)(H,60,76)(H,61,77)/t26-,27+,28+,29-,30-,32+,33+,34-,35-,36-,37+,38-,39-,40+,41-,44-,45-/m1/s1"	CC(C)[C@H](N)C(=O)N[C@@H](Cc1cn(C[C@H]2O[C@H](O[C@@H]3[C@@H](O)[C@H](O[C@H]4O[C@H](CNC(=O)OC(C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](NC(=O)OC(C)(C)C)C[C@H]3NC(=O)OC(C)(C)C)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)[C@@H]2O)nn1)C(=O)NCC(=O)OC(C)(C)C	CC(C)C(N)C(=O)NC(Cc1cn(CC2OC(OC3C(NC(=O)OC(C)(C)C)CC(NC(=O)OC(C)(C)C)C(OC4OC(CNC(=O)OC(C)(C)C)C(O)C(O)C4O)C3O)C(O)C(NC(=O)OC(C)(C)C)C2O)nn1)C(=O)NCC(=O)OC(C)(C)C	WSPNZNWVTASAGI-LNZLDOKNSA-N	.							
PDC_01264	Tripeptide 64 - Kanamycin A derivative conjugate	34	23	"InChI=1S/C100H141N19O30/c1-93(2,3)142-85(129)109-80(110-86(130)143-94(4,5)6)103-47-65-69(121)71(123)72(124)79(138-65)141-75-62(106-82(113-89(133)146-97(13,14)15)114-90(134)147-98(16,17)18)44-61(105-81(111-87(131)144-95(7,8)9)112-88(132)145-96(10,11)12)74(73(75)125)140-78-70(122)67(108-83(115-91(135)148-99(19,20)21)116-92(136)149-100(22,23)24)68(120)66(139-78)49-119-48-53(117-118-119)43-64(107-84(128)137-50-59-57-39-30-28-37-55(57)56-38-29-31-40-58(56)59)77(127)104-63(76(126)102-45-51-34-26-25-27-35-51)42-52-46-101-60-41-33-32-36-54(52)60/h25-41,46,48,59,61-75,78-79,101,120-125H,42-45,47,49-50H2,1-24H3,(H,102,126)(H,104,127)(H,107,128)(H2,103,109,110,129,130)(H2,105,111,112,131,132)(H2,106,113,114,133,134)(H2,108,115,116,135,136)/t61-,62+,63+,64+,65-,66-,67+,68-,69-,70-,71+,72-,73-,74+,75-,78-,79-/m1/s1"	CC(C)(C)OC(=O)N=C(NC(=O)OC(C)(C)C)N[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](CN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](NC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C[C@H]2NC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)O[C@H](Cn2cc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)NCc3ccccc3)nn2)[C@H]1O	CC(C)(C)OC(=O)N=C(NC(=O)OC(C)(C)C)NC1CC(NC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(OC2OC(Cn3cc(CC(NC(=O)OCC4c5ccccc5-c5ccccc54)C(=O)NC(Cc4c[nH]c5ccccc45)C(=O)NCc4ccccc4)nn3)C(O)C(NC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C2O)C(O)C1OC1OC(CN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(O)C(O)C1O	JRCCMIYPTKCLMR-FUHPNPTPSA-N	.							
PDC_01265	Tripeptide 64 - Neomycin B derivative conjugate	46	28	"InChI=1S/C127H187N25O40/c1-116(2,3)181-104(162)138-97(139-105(163)182-117(4,5)6)130-59-78-84(154)86(156)81(136-101(146-112(170)189-124(25,26)27)147-113(171)190-125(28,29)30)94(175-78)178-89-75(134-100(144-110(168)187-122(19,20)21)145-111(169)188-123(22,23)24)56-74(133-99(142-108(166)185-120(13,14)15)143-109(167)186-121(16,17)18)83(153)91(89)180-96-88(158)90(179-95-82(137-102(148-114(172)191-126(31,32)33)149-115(173)192-127(34,35)36)87(157)85(155)79(176-95)60-131-98(140-106(164)183-118(7,8)9)141-107(165)184-119(10,11)12)80(177-96)62-152-61-66(150-151-152)55-77(135-103(161)174-63-72-70-51-42-40-49-68(70)69-50-41-43-52-71(69)72)93(160)132-76(92(159)129-57-64-46-38-37-39-47-64)54-65-58-128-73-53-45-44-48-67(65)73/h37-53,58,61,72,74-91,94-96,128,153-158H,54-57,59-60,62-63H2,1-36H3,(H,129,159)(H,132,160)(H,135,161)(H2,130,138,139,162,163)(H2,131,140,141,164,165)(H2,133,142,143,166,167)(H2,134,144,145,168,169)(H2,136,146,147,170,171)(H2,137,148,149,172,173)/t74-,75+,76+,77+,78-,79-,80-,81-,82-,83+,84-,85-,86-,87-,88-,89-,90-,91-,94-,95-,96+/m1/s1"	CC(C)(C)OC(=O)N=C(NC(=O)OC(C)(C)C)N[C@H]1[C@@H](O[C@H]2[C@H](O[C@@H]3O[C@H](Cn4cc(C[C@H](NC(=O)OCC5c6ccccc6-c6ccccc65)C(=O)N[C@@H](Cc5c[nH]c6ccccc56)C(=O)NCc5ccccc5)nn4)[C@@H](O[C@H]4O[C@H](CN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)[C@@H](O)[C@H](O)[C@H]4N=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)[C@H]3O)[C@@H](O)[C@H](NC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C[C@@H]2NC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)O[C@H](CN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)[C@@H](O)[C@@H]1O	CC(C)(C)OC(=O)N=C(NC(=O)OC(C)(C)C)NC1CC(NC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(OC2OC(CN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(O)C(O)C2NC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(OC2OC(Cn3cc(CC(NC(=O)OCC4c5ccccc5-c5ccccc54)C(=O)NC(Cc4c[nH]c5ccccc45)C(=O)NCc4ccccc4)nn3)C(OC3OC(CN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(O)C(O)C3N=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C2O)C1O	STCDZBZZLQHISM-DGIGEQHGSA-N	.							
PDC_01266	Tetrapeptide 22 - Neomycin B derivative conjugate	66	52	"InChI=1S/C170H251N25O58/c1-157(2,3)240-142(212)172-71-104-116(198)120(202)110(184-151(221)248-165(25,26)27)136(228-104)234-126-96(181-149(219)246-163(19,20)21)68-94(179-147(217)244-161(13,14)15)114(196)130(126)238-140-124(206)128(236-138-112(186-153(223)250-167(31,32)33)122(204)118(200)106(230-138)73-174-144(214)242-159(7,8)9)108(232-140)79-192-77-85(188-190-192)66-100(134(210)176-98(132(208)171-70-82-54-44-43-45-55-82)64-83-75-194(155(225)252-169(37,38)39)102-62-52-50-56-87(83)102)178-135(211)101(177-133(209)99(65-84-76-195(156(226)253-170(40,41)42)103-63-53-51-57-88(84)103)183-146(216)227-81-93-91-60-48-46-58-89(91)90-59-47-49-61-92(90)93)67-86-78-193(191-189-86)80-109-129(237-139-113(187-154(224)251-168(34,35)36)123(205)119(201)107(231-139)74-175-145(215)243-160(10,11)12)125(207)141(233-109)239-131-115(197)95(180-148(218)245-162(16,17)18)69-97(182-150(220)247-164(22,23)24)127(131)235-137-111(185-152(222)249-166(28,29)30)121(203)117(199)105(229-137)72-173-143(213)241-158(4,5)6/h43-63,75-78,93-101,104-131,136-141,196-207H,64-74,79-81H2,1-42H3,(H,171,208)(H,172,212)(H,173,213)(H,174,214)(H,175,215)(H,176,210)(H,177,209)(H,178,211)(H,179,217)(H,180,218)(H,181,219)(H,182,220)(H,183,216)(H,184,221)(H,185,222)(H,186,223)(H,187,224)/t94-,95-,96+,97+,98+,99+,100+,101+,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114+,115+,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,136-,137-,138-,139-,140+,141+/m1/s1"	CC(C)(C)OC(=O)NC[C@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3O[C@H](Cn4cc(C[C@H](NC(=O)[C@H](Cc5cn(C(=O)OC(C)(C)C)c6ccccc56)NC(=O)OCC5c6ccccc6-c6ccccc65)C(=O)N[C@@H](Cc5cn(C[C@H]6O[C@@H](O[C@@H]7[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C[C@H](NC(=O)OC(C)(C)C)[C@H]7O[C@H]7O[C@H](CNC(=O)OC(C)(C)C)[C@@H](O)[C@H](O)[C@H]7NC(=O)OC(C)(C)C)[C@H](O)[C@@H]6O[C@H]6O[C@H](CNC(=O)OC(C)(C)C)[C@@H](O)[C@H](O)[C@H]6NC(=O)OC(C)(C)C)nn5)C(=O)N[C@@H](Cc5cn(C(=O)OC(C)(C)C)c6ccccc56)C(=O)NCc5ccccc5)nn4)[C@@H](O[C@H]4O[C@H](CNC(=O)OC(C)(C)C)[C@@H](O)[C@H](O)[C@H]4NC(=O)OC(C)(C)C)[C@H]3O)[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C[C@@H]2NC(=O)OC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)[C@@H](O)[C@@H]1O	CC(C)(C)OC(=O)NCC1OC(OC2C(Cn3cc(CC(NC(=O)C(Cc4cn(C(=O)OC(C)(C)C)c5ccccc45)NC(=O)OCC4c5ccccc5-c5ccccc54)C(=O)NC(Cc4cn(CC5OC(OC6C(O)C(NC(=O)OC(C)(C)C)CC(NC(=O)OC(C)(C)C)C6OC6OC(CNC(=O)OC(C)(C)C)C(O)C(O)C6NC(=O)OC(C)(C)C)C(O)C5OC5OC(CNC(=O)OC(C)(C)C)C(O)C(O)C5NC(=O)OC(C)(C)C)nn4)C(=O)NC(Cc4cn(C(=O)OC(C)(C)C)c5ccccc45)C(=O)NCc4ccccc4)nn3)OC(OC3C(O)C(NC(=O)OC(C)(C)C)CC(NC(=O)OC(C)(C)C)C3OC3OC(CNC(=O)OC(C)(C)C)C(O)C(O)C3NC(=O)OC(C)(C)C)C2O)C(NC(=O)OC(C)(C)C)C(O)C1O	VLHJHMPDUQLPLU-NVORAYENSA-N	.							
PDC_01267	Tripeptide 61 - Kanamycin A derivative conjugate 2	33	28	"InChI=1S/C81H116N10O30/c1-39(2)58(69(100)82-35-57(98)117-77(9,10)11)87-68(99)54(86-73(102)106-38-51-49-30-26-24-28-47(49)48-29-25-27-31-50(48)51)32-46-36-91(90-89-46)37-56-62(107-40(3)92)59(88-76(105)121-81(21,22)23)64(109-42(5)94)70(114-56)115-60-52(84-74(103)119-79(15,16)17)33-53(85-75(104)120-80(18,19)20)61(65(60)110-43(6)95)116-71-67(112-45(8)97)66(111-44(7)96)63(108-41(4)93)55(113-71)34-83-72(101)118-78(12,13)14/h24-31,36,39,51-56,58-67,70-71H,32-35,37-38H2,1-23H3,(H,82,100)(H,83,101)(H,84,103)(H,85,104)(H,86,102)(H,87,99)(H,88,105)/t52-,53+,54+,55-,56-,58+,59+,60+,61-,62-,63-,64-,65-,66+,67-,70-,71-/m1/s1"	CC(=O)O[C@@H]1[C@@H](O[C@H]2O[C@H](Cn3cc(C[C@H](NC(=O)OCC4c5ccccc5-c5ccccc54)C(=O)N[C@H](C(=O)NCC(=O)OC(C)(C)C)C(C)C)nn3)[C@@H](OC(C)=O)[C@H](NC(=O)OC(C)(C)C)[C@H]2OC(C)=O)[C@H](NC(=O)OC(C)(C)C)C[C@H](NC(=O)OC(C)(C)C)[C@H]1O[C@H]1O[C@H](CNC(=O)OC(C)(C)C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	CC(=O)OC1C(Cn2cc(CC(NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)NC(C(=O)NCC(=O)OC(C)(C)C)C(C)C)nn2)OC(OC2C(NC(=O)OC(C)(C)C)CC(NC(=O)OC(C)(C)C)C(OC3OC(CNC(=O)OC(C)(C)C)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1NC(=O)OC(C)(C)C	ZPGFLNMOCQLNBN-RBYOWQAISA-N	.							
PDC_01268	Dipeptide 27 - Neomycin B derivative conjugate 1	38	32	"InChI=1S/C94H131N11O35/c1-47(106)123-69-60(98-85(117)137-91(13,14)15)39-61(99-86(118)138-92(16,17)18)70(132-79-67(101-87(119)139-93(19,20)21)74(126-50(4)109)71(124-48(2)107)63(129-79)40-96-82(114)135-89(7,8)9)76(69)134-81-77(128-52(6)111)73(133-80-68(102-88(120)140-94(22,23)24)75(127-51(5)110)72(125-49(3)108)64(130-80)41-97-83(115)136-90(10,11)12)65(131-81)44-105-43-54(103-104-105)38-62(78(113)95-42-66(112)121-45-53-32-26-25-27-33-53)100-84(116)122-46-59-57-36-30-28-34-55(57)56-35-29-31-37-58(56)59/h25-37,43,59-65,67-77,79-81H,38-42,44-46H2,1-24H3,(H,95,113)(H,96,114)(H,97,115)(H,98,117)(H,99,118)(H,100,116)(H,101,119)(H,102,120)/t60-,61+,62+,63-,64-,65-,67-,68-,69+,70-,71-,72-,73-,74-,75-,76-,77-,79-,80-,81+/m1/s1"	CC(=O)O[C@@H]1[C@@H](NC(=O)OC(C)(C)C)[C@@H](O[C@H]2[C@H](O[C@@H]3O[C@H](Cn4cc(C[C@H](NC(=O)OCC5c6ccccc6-c6ccccc65)C(=O)NCC(=O)OCc5ccccc5)nn4)[C@@H](O[C@H]4O[C@H](CNC(=O)OC(C)(C)C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4NC(=O)OC(C)(C)C)[C@H]3OC(C)=O)[C@@H](OC(C)=O)[C@H](NC(=O)OC(C)(C)C)C[C@@H]2NC(=O)OC(C)(C)C)O[C@H](CNC(=O)OC(C)(C)C)[C@H]1OC(C)=O	CC(=O)OC1C(NC(=O)OC(C)(C)C)CC(NC(=O)OC(C)(C)C)C(OC2OC(CNC(=O)OC(C)(C)C)C(OC(C)=O)C(OC(C)=O)C2NC(=O)OC(C)(C)C)C1OC1OC(Cn2cc(CC(NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)NCC(=O)OCc3ccccc3)nn2)C(OC2OC(CNC(=O)OC(C)(C)C)C(OC(C)=O)C(OC(C)=O)C2NC(=O)OC(C)(C)C)C1OC(C)=O	QJEYZTQOEXZTFI-YFBVVRQKSA-N	.							
PDC_01269	Tripeptide 61 - Neomycin B derivative conjugate	33	27	"InChI=1S/C84H130N12O30/c1-40(2)54(67(105)85-36-53(97)120-78(3,4)5)91-66(104)49(90-73(108)113-39-46-44-30-26-24-28-42(44)43-29-25-27-31-45(43)46)32-41-37-96(95-94-41)38-52-64(118-69-56(93-77(112)126-84(21,22)23)61(102)59(100)51(115-69)35-87-72(107)122-80(9,10)11)62(103)70(116-52)119-65-57(98)47(88-74(109)123-81(12,13)14)33-48(89-75(110)124-82(15,16)17)63(65)117-68-55(92-76(111)125-83(18,19)20)60(101)58(99)50(114-68)34-86-71(106)121-79(6,7)8/h24-31,37,40,46-52,54-65,68-70,98-103H,32-36,38-39H2,1-23H3,(H,85,105)(H,86,106)(H,87,107)(H,88,109)(H,89,110)(H,90,108)(H,91,104)(H,92,111)(H,93,112)/t47-,48+,49+,50-,51-,52-,54+,55-,56-,57+,58-,59-,60-,61-,62-,63-,64-,65-,68-,69-,70+/m1/s1"	CC(C)[C@H](NC(=O)[C@H](Cc1cn(C[C@H]2O[C@@H](O[C@@H]3[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C[C@H](NC(=O)OC(C)(C)C)[C@H]3O[C@H]3O[C@H](CNC(=O)OC(C)(C)C)[C@@H](O)[C@H](O)[C@H]3NC(=O)OC(C)(C)C)[C@H](O)[C@@H]2O[C@H]2O[C@H](CNC(=O)OC(C)(C)C)[C@@H](O)[C@H](O)[C@H]2NC(=O)OC(C)(C)C)nn1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)OC(C)(C)C	CC(C)C(NC(=O)C(Cc1cn(CC2OC(OC3C(O)C(NC(=O)OC(C)(C)C)CC(NC(=O)OC(C)(C)C)C3OC3OC(CNC(=O)OC(C)(C)C)C(O)C(O)C3NC(=O)OC(C)(C)C)C(O)C2OC2OC(CNC(=O)OC(C)(C)C)C(O)C(O)C2NC(=O)OC(C)(C)C)nn1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)OC(C)(C)C	BEAVUULQQCJBCT-LVMNOHMYSA-N	.							
PDC_01270	Dipeptide 28 - Neomycin B derivative conjugate	34	28	"InChI=1S/C96H135N13O30/c1-90(2,3)133-82(118)98-43-63-69(111)71(113)66(104-87(123)137-94(13,14)15)79(127-63)130-74-59(102-86(122)136-93(10,11)12)41-58(101-85(121)135-92(7,8)9)68(110)76(74)132-81-73(115)75(131-80-67(105-88(124)138-95(16,17)18)72(114)70(112)64(128-80)44-99-83(119)134-91(4,5)6)65(129-81)47-108-46-51(106-107-108)40-61(103-84(120)126-48-57-55-36-27-25-34-53(55)54-35-26-28-37-56(54)57)78(117)100-60(77(116)97-42-49-31-23-22-24-32-49)39-50-45-109(89(125)139-96(19,20)21)62-38-30-29-33-52(50)62/h22-38,45-46,57-61,63-76,79-81,110-115H,39-44,47-48H2,1-21H3,(H,97,116)(H,98,118)(H,99,119)(H,100,117)(H,101,121)(H,102,122)(H,103,120)(H,104,123)(H,105,124)/t58-,59+,60+,61+,63-,64-,65-,66-,67-,68+,69-,70-,71-,72-,73-,74-,75-,76-,79-,80-,81+/m1/s1"	CC(C)(C)OC(=O)NC[C@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3O[C@H](Cn4cc(C[C@H](NC(=O)OCC5c6ccccc6-c6ccccc65)C(=O)N[C@@H](Cc5cn(C(=O)OC(C)(C)C)c6ccccc56)C(=O)NCc5ccccc5)nn4)[C@@H](O[C@H]4O[C@H](CNC(=O)OC(C)(C)C)[C@@H](O)[C@H](O)[C@H]4NC(=O)OC(C)(C)C)[C@H]3O)[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C[C@@H]2NC(=O)OC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)[C@@H](O)[C@@H]1O	CC(C)(C)OC(=O)NCC1OC(OC2C(Cn3cc(CC(NC(=O)OCC4c5ccccc5-c5ccccc54)C(=O)NC(Cc4cn(C(=O)OC(C)(C)C)c5ccccc45)C(=O)NCc4ccccc4)nn3)OC(OC3C(O)C(NC(=O)OC(C)(C)C)CC(NC(=O)OC(C)(C)C)C3OC3OC(CNC(=O)OC(C)(C)C)C(O)C(O)C3NC(=O)OC(C)(C)C)C2O)C(NC(=O)OC(C)(C)C)C(O)C1O	AILVAWRMENLJPU-TUJJFJNQSA-N	.							
PDC_01271	Dipeptide 27 - Neomycin B derivative conjugate 2	32	26	"InChI=1S/C82H119N11O29/c1-77(2,3)117-70(102)84-34-51-58(96)60(98)55(89-75(107)121-81(13,14)15)67(111-51)114-63-49(87-74(106)120-80(10,11)12)33-48(86-73(105)119-79(7,8)9)57(95)65(63)116-69-62(100)64(115-68-56(90-76(108)122-82(16,17)18)61(99)59(97)52(112-68)35-85-71(103)118-78(4,5)6)53(113-69)38-93-37-42(91-92-93)32-50(66(101)83-36-54(94)109-39-41-26-20-19-21-27-41)88-72(104)110-40-47-45-30-24-22-28-43(45)44-29-23-25-31-46(44)47/h19-31,37,47-53,55-65,67-69,95-100H,32-36,38-40H2,1-18H3,(H,83,101)(H,84,102)(H,85,103)(H,86,105)(H,87,106)(H,88,104)(H,89,107)(H,90,108)/t48-,49+,50+,51-,52-,53-,55-,56-,57+,58-,59-,60-,61-,62-,63-,64-,65-,67-,68-,69+/m1/s1"	CC(C)(C)OC(=O)NC[C@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3O[C@H](Cn4cc(C[C@H](NC(=O)OCC5c6ccccc6-c6ccccc65)C(=O)NCC(=O)OCc5ccccc5)nn4)[C@@H](O[C@H]4O[C@H](CNC(=O)OC(C)(C)C)[C@@H](O)[C@H](O)[C@H]4NC(=O)OC(C)(C)C)[C@H]3O)[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C[C@@H]2NC(=O)OC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)[C@@H](O)[C@@H]1O	CC(C)(C)OC(=O)NCC1OC(OC2C(Cn3cc(CC(NC(=O)OCC4c5ccccc5-c5ccccc54)C(=O)NCC(=O)OCc4ccccc4)nn3)OC(OC3C(O)C(NC(=O)OC(C)(C)C)CC(NC(=O)OC(C)(C)C)C3OC3OC(CNC(=O)OC(C)(C)C)C(O)C(O)C3NC(=O)OC(C)(C)C)C2O)C(NC(=O)OC(C)(C)C)C(O)C1O	JRUVCGCHPWHYFZ-VXNVURSJSA-N	.							
PDC_01272	"Edotreotide - DOTA (1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid) derivative conjugate 1"	30	40	"InChI=1S/C83H115N19O23S3/c1-52(104)67(48-103)91-82(121)69-51-127-126-50-68(81(120)89-65(39-55-22-24-59(106)25-23-55)79(118)90-66(41-57-42-86-62-19-9-8-18-61(57)62)80(119)88-63(20-10-11-26-84)77(116)94-75(53(2)105)83(122)93-69)92-78(117)64(38-54-14-5-3-6-15-54)87-70(107)21-7-4-12-28-102-43-58(95-97-102)49-125-60-17-13-16-56(40-60)76(115)96-128(123,124)37-27-85-71(108)44-98-29-31-99(45-72(109)110)33-35-101(47-74(113)114)36-34-100(32-30-98)46-73(111)112/h3,5-6,8-9,13-19,22-25,40,42-43,52-53,63-69,75,86,103-106H,4,7,10-12,20-21,26-39,41,44-51,84H2,1-2H3,(H,85,108)(H,87,107)(H,88,119)(H,89,120)(H,90,118)(H,91,121)(H,92,117)(H,93,122)(H,94,116)(H,96,115)(H,109,110)(H,111,112)(H,113,114)/t52-,53-,63+,64-,65+,66-,67-,68+,69+,75+/m1/s1"	C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCCCCn2cc(COc3cccc(C(=O)NS(=O)(=O)CCNC(=O)CN4CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC4)c3)nn2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O	CC(O)C(CO)NC(=O)C1CSSCC(NC(=O)C(Cc2ccccc2)NC(=O)CCCCCn2cc(COc3cccc(C(=O)NS(=O)(=O)CCNC(=O)CN4CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC4)c3)nn2)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)N1	WKAZZHJGDKTRMN-ZXOSBWISSA-N	.							
PDC_01273	"Edotreotide - 3-(2-propyn-1-yloxy)-, S-[(2,4,6-trimethoxyphenyl)methyl] benzenecarbothioic acid ester conjugate"	24	33	"InChI=1S/C75H95N13O17S3/c1-44(90)61(39-89)82-73(99)63-43-108-107-42-62(72(98)80-59(32-47-25-27-51(92)28-26-47)70(96)81-60(34-49-37-77-56-22-12-11-21-54(49)56)71(97)79-57(23-13-14-29-76)68(94)85-67(45(2)91)74(100)84-63)83-69(95)58(31-46-17-8-6-9-18-46)78-66(93)24-10-7-15-30-88-38-50(86-87-88)40-105-52-20-16-19-48(33-52)75(101)106-41-55-64(103-4)35-53(102-3)36-65(55)104-5/h6,8-9,11-12,16-22,25-28,33,35-38,44-45,57-63,67,77,89-92H,7,10,13-15,23-24,29-32,34,39-43,76H2,1-5H3,(H,78,93)(H,79,97)(H,80,98)(H,81,96)(H,82,99)(H,83,95)(H,84,100)(H,85,94)/t44-,45-,57+,58-,59+,60-,61-,62+,63+,67+/m1/s1"	COc1cc(OC)c(CSC(=O)c2cccc(OCc3cn(CCCCCC(=O)N[C@H](Cc4ccccc4)C(=O)N[C@H]4CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc5c[nH]c6ccccc56)NC(=O)[C@H](Cc5ccc(O)cc5)NC4=O)nn3)c2)c(OC)c1	COc1cc(OC)c(CSC(=O)c2cccc(OCc3cn(CCCCCC(=O)NC(Cc4ccccc4)C(=O)NC4CSSCC(C(=O)NC(CO)C(C)O)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(Cc5c[nH]c6ccccc56)NC(=O)C(Cc5ccc(O)cc5)NC4=O)nn3)c2)c(OC)c1	CQQJLHKUACUGNB-BKPDTAPRSA-N	.							
PDC_01274	"Edotreotide - DOTA (1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid) derivative conjugate"	49	67	"InChI=1S/C141H192N32O36S5/c1-84(176)113(76-174)155-138(202)117-82-212-210-80-115(136(200)151-109(61-90-37-41-97(180)42-38-90)132(196)153-111(65-93-68-145-103-31-17-15-29-101(93)103)134(198)149-105(33-19-21-45-142)128(192)161-125(86(3)178)140(204)159-117)157-130(194)107(59-88-25-9-5-10-26-88)147-119(182)35-13-7-23-48-172-70-95(163-166-172)78-208-99-63-92(127(191)165-214(206,207)58-47-144-121(184)72-168-50-52-169(73-122(185)186)54-56-171(75-124(189)190)57-55-170(53-51-168)74-123(187)188)64-100(67-99)209-79-96-71-173(167-164-96)49-24-8-14-36-120(183)148-108(60-89-27-11-6-12-28-89)131(195)158-116-81-211-213-83-118(139(203)156-114(77-175)85(2)177)160-141(205)126(87(4)179)162-129(193)106(34-20-22-46-143)150-135(199)112(66-94-69-146-104-32-18-16-30-102(94)104)154-133(197)110(152-137(116)201)62-91-39-43-98(181)44-40-91/h5-6,9-12,15-18,25-32,37-44,63-64,67-71,84-87,105-118,125-126,145-146,174-181H,7-8,13-14,19-24,33-36,45-62,65-66,72-83,142-143H2,1-4H3,(H,144,184)(H,147,182)(H,148,183)(H,149,198)(H,150,199)(H,151,200)(H,152,201)(H,153,196)(H,154,197)(H,155,202)(H,156,203)(H,157,194)(H,158,195)(H,159,204)(H,160,205)(H,161,192)(H,162,193)(H,165,191)(H,185,186)(H,187,188)(H,189,190)/t84-,85-,86-,87-,105+,106+,107-,108-,109+,110+,111-,112-,113-,114-,115+,116+,117+,118+,125+,126+/m1/s1"	C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCCCCn2cc(COc3cc(OCc4cn(CCCCCC(=O)N[C@H](Cc5ccccc5)C(=O)N[C@H]5CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc6c[nH]c7ccccc67)NC(=O)[C@H](Cc6ccc(O)cc6)NC5=O)nn4)cc(C(=O)NS(=O)(=O)CCNC(=O)CN4CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC4)c3)nn2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O	CC(O)C(CO)NC(=O)C1CSSCC(NC(=O)C(Cc2ccccc2)NC(=O)CCCCCn2cc(COc3cc(OCc4cn(CCCCCC(=O)NC(Cc5ccccc5)C(=O)NC5CSSCC(C(=O)NC(CO)C(C)O)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(Cc6c[nH]c7ccccc67)NC(=O)C(Cc6ccc(O)cc6)NC5=O)nn4)cc(C(=O)NS(=O)(=O)CCNC(=O)CN4CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC4)c3)nn2)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)N1	TWMLVDNRHIIGAI-JQJNLWJRSA-N	.							
PDC_01275	"Edotreotide - 3,5-bis(2-propyn-1-yloxy)-, S-[(2,4,6-trimethoxyphenyl)methyl] benzenecarbothioic acid ester conjugate"	43	60	"InChI=1S/C133H172N26O30S5/c1-76(162)107(67-160)146-129(180)111-74-193-191-72-109(127(178)142-103(54-82-40-44-89(166)45-41-82)123(174)144-105(58-85-63-136-97-34-20-18-32-94(85)97)125(176)140-99(36-22-24-48-134)119(170)152-117(78(3)164)131(182)150-111)148-121(172)101(52-80-28-12-8-13-29-80)138-115(168)38-16-10-26-50-158-65-87(154-156-158)69-188-92-56-84(133(184)190-71-96-113(186-6)61-91(185-5)62-114(96)187-7)57-93(60-92)189-70-88-66-159(157-155-88)51-27-11-17-39-116(169)139-102(53-81-30-14-9-15-31-81)122(173)149-110-73-192-194-75-112(130(181)147-108(68-161)77(2)163)151-132(183)118(79(4)165)153-120(171)100(37-23-25-49-135)141-126(177)106(59-86-64-137-98-35-21-19-33-95(86)98)145-124(175)104(143-128(110)179)55-83-42-46-90(167)47-43-83/h8-9,12-15,18-21,28-35,40-47,56-57,60-66,76-79,99-112,117-118,136-137,160-167H,10-11,16-17,22-27,36-39,48-55,58-59,67-75,134-135H2,1-7H3,(H,138,168)(H,139,169)(H,140,176)(H,141,177)(H,142,178)(H,143,179)(H,144,174)(H,145,175)(H,146,180)(H,147,181)(H,148,172)(H,149,173)(H,150,182)(H,151,183)(H,152,170)(H,153,171)/t76-,77-,78-,79-,99+,100+,101-,102-,103+,104+,105-,106-,107-,108-,109+,110+,111+,112+,117+,118+/m1/s1"	COc1cc(OC)c(CSC(=O)c2cc(OCc3cn(CCCCCC(=O)N[C@H](Cc4ccccc4)C(=O)N[C@H]4CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc5c[nH]c6ccccc56)NC(=O)[C@H](Cc5ccc(O)cc5)NC4=O)nn3)cc(OCc3cn(CCCCCC(=O)N[C@H](Cc4ccccc4)C(=O)N[C@H]4CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc5c[nH]c6ccccc56)NC(=O)[C@H](Cc5ccc(O)cc5)NC4=O)nn3)c2)c(OC)c1	COc1cc(OC)c(CSC(=O)c2cc(OCc3cn(CCCCCC(=O)NC(Cc4ccccc4)C(=O)NC4CSSCC(C(=O)NC(CO)C(C)O)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(Cc5c[nH]c6ccccc56)NC(=O)C(Cc5ccc(O)cc5)NC4=O)nn3)cc(OCc3cn(CCCCCC(=O)NC(Cc4ccccc4)C(=O)NC4CSSCC(C(=O)NC(CO)C(C)O)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(Cc5c[nH]c6ccccc56)NC(=O)C(Cc5ccc(O)cc5)NC4=O)nn3)c2)c(OC)c1	KSPHFVWAVSLZJU-IVJJAWHTSA-N	.							
PDC_01276	Oligopeptide 10 - ADP ribose conjugate	28	31	"InChI=1S/C47H75N15O24P2/c1-21(38(50)71)54-41(73)25(15-63)57-40(72)23(7-3-4-12-48)55-42(74)26(16-64)58-44(76)28-9-6-14-61(28)46(77)24(56-43(75)27-8-5-13-60(27)22(2)65)10-11-31(66)59-45-35(69)33(67)29(84-45)17-82-87(78,79)86-88(80,81)83-18-30-34(68)36(70)47(85-30)62-20-53-32-37(49)51-19-52-39(32)62/h19-21,23-30,33-36,45,47,63-64,67-70H,3-18,48H2,1-2H3,(H2,50,71)(H,54,73)(H,55,74)(H,56,75)(H,57,72)(H,58,76)(H,59,66)(H,78,79)(H,80,81)(H2,49,51,52)/t21-,23-,24-,25-,26-,27-,28-,29+,30+,33+,34+,35+,36+,45-,47+/m0/s1"	CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)N[C@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(N)=O	CC(=O)N1CCCC1C(=O)NC(CCC(=O)NC1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(C)C(N)=O	QOICLPYDJZWUGQ-DAFITTSSSA-N	.							
PDC_01277	"Oligopeptide 10 - 5-O-[(1,1-Dimethylethyl)diphenylsilyl]-&beta;-D-ribofuranosyl azide conjugate"	18	40	"InChI=1S/C97H110F3N9O19Si/c1-63(92(120)121)102-86(115)77(60-123-95(67-36-16-8-17-37-67,68-38-18-9-19-39-68)69-40-20-10-21-41-69)105-85(114)75(52-32-33-57-101-93(122)97(98,99)100)103-87(116)78(61-124-96(70-42-22-11-23-43-70,71-44-24-12-25-45-71)72-46-26-13-27-47-72)106-89(118)80-54-35-59-109(80)91(119)76(104-88(117)79-53-34-58-108(79)64(2)110)55-56-82(113)107-90-84(127-66(4)112)83(126-65(3)111)81(128-90)62-125-129(94(5,6)7,73-48-28-14-29-49-73)74-50-30-15-31-51-74/h8-31,36-51,63,75-81,83-84,90H,32-35,52-62H2,1-7H3,(H,101,122)(H,102,115)(H,103,116)(H,104,117)(H,105,114)(H,106,118)(H,107,113)(H,120,121)/t63-,75-,76-,77-,78-,79-,80-,81+,83+,84+,90-/m0/s1"	CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H]1NC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCCCNC(=O)C(F)(F)F)C(=O)N[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C)C(=O)O	CC(=O)OC1C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(NC(=O)CCC(NC(=O)C2CCCN2C(C)=O)C(=O)N2CCCC2C(=O)NC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)NC(CCCCNC(=O)C(F)(F)F)C(=O)NC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)NC(C)C(=O)O)C1OC(C)=O	LTICVGZODQZKIH-ANCXJUMGSA-N	.							
PDC_01278	Oligopeptide 11 - ADP ribose conjugate	26	31	"InChI=1S/C46H74N12O24P2/c1-10-20(6)31(43(71)53-23(11-12-28(61)62)40(68)56-30(19(4)5)46(72)77-9)57-41(69)24(54-39(67)21(7)51-42(70)29(18(2)3)52-22(8)59)13-27(60)55-44-35(65)33(63)25(80-44)14-78-83(73,74)82-84(75,76)79-15-26-34(64)36(66)45(81-26)58-17-50-32-37(47)48-16-49-38(32)58/h16-21,23-26,29-31,33-36,44-45,63-66H,10-15H2,1-9H3,(H,51,70)(H,52,59)(H,53,71)(H,54,67)(H,55,60)(H,56,68)(H,57,69)(H,61,62)(H,73,74)(H,75,76)(H2,47,48,49)/t20-,21-,23-,24-,25+,26+,29-,30-,31-,33+,34+,35+,36+,44-,45+/m0/s1"	CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)N[C@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)OC)C(C)C	CCC(C)C(NC(=O)C(CC(=O)NC1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O)NC(=O)C(C)NC(=O)C(NC(C)=O)C(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)OC)C(C)C	ICYBLFKMWPRCQB-KNAZLTTCSA-N	.							
PDC_01279	"Oligopeptide 11 - 5-O-[(1,1-Dimethylethyl)diphenylsilyl]-&beta;-D-ribofuranosyl azide conjugate"	19	35	"InChI=1S/C75H106N8O19Si/c1-18-44(8)64(71(95)79-53(68(92)82-63(43(6)7)73(96)97)33-34-60(90)98-39-49-29-31-50(32-30-49)78-54(35-41(2)3)61-56(87)37-75(16,17)38-57(61)88)83-69(93)55(80-67(91)45(9)76-70(94)62(42(4)5)77-46(10)84)36-59(89)81-72-66(101-48(12)86)65(100-47(11)85)58(102-72)40-99-103(74(13,14)15,51-25-21-19-22-26-51)52-27-23-20-24-28-52/h19-32,41-45,53,55,58,62-66,72,78H,18,33-40H2,1-17H3,(H,76,94)(H,77,84)(H,79,95)(H,80,91)(H,81,89)(H,82,92)(H,83,93)(H,96,97)/t44-,45-,53-,55-,58+,62-,63-,64-,65+,66+,72-/m0/s1"	CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)N[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(C)=O)[C@H]1OC(C)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CCC(=O)OCc1ccc(NC(CC(C)C)=C2C(=O)CC(C)(C)CC2=O)cc1)C(=O)N[C@H](C(=O)O)C(C)C	CCC(C)C(NC(=O)C(CC(=O)NC1OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(OC(C)=O)C1OC(C)=O)NC(=O)C(C)NC(=O)C(NC(C)=O)C(C)C)C(=O)NC(CCC(=O)OCc1ccc(NC(CC(C)C)=C2C(=O)CC(C)(C)CC2=O)cc1)C(=O)NC(C(=O)O)C(C)C	GWRKBWPPHFLUAJ-GUBUUWSQSA-N	.							
PDC_01280	"Oligopeptide 12 - 5-O-[(1,1-Dimethylethyl)diphenylsilyl]-&beta;-D-ribofuranosyl azide conjugate"	15	23	"InChI=1S/C75H73N3O15Si/c1-47(79)90-68-66(46-89-94(75(3,4)5,52-25-11-7-12-26-52)53-27-13-8-14-28-53)93-71(69(68)91-48(2)80)78-67(81)42-64(77-73(84)87-45-63-60-35-21-17-31-56(60)57-32-18-22-36-61(57)63)70(82)76-65(41-49-37-39-51(40-38-49)92-74(85)88-43-50-23-9-6-10-24-50)72(83)86-44-62-58-33-19-15-29-54(58)55-30-16-20-34-59(55)62/h6-40,62-66,68-69,71H,41-46H2,1-5H3,(H,76,82)(H,77,84)(H,78,81)/t64-,65-,66+,68+,69+,71-/m0/s1"	CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H]1NC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](Cc1ccc(OC(=O)OCc2ccccc2)cc1)C(=O)OCC1c2ccccc2-c2ccccc21	CC(=O)OC1C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(NC(=O)CC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)NC(Cc2ccc(OC(=O)OCc3ccccc3)cc2)C(=O)OCC2c3ccccc3-c3ccccc32)C1OC(C)=O	OUOYTKHTQOHYQL-JPXZWAQTSA-N	.							
PDC_01281	Oligopeptide 13 - Cholestanol conjugate	39	110	"InChI=1S/C126H218N16O40/c1-85(2)17-16-18-89(9)95-23-24-96-94-22-21-92-81-93(29-36-125(92,11)97(94)30-37-126(95,96)12)182-114(155)83-101(117(129)156)136-110(149)35-47-168-57-67-178-75-77-180-71-61-172-51-41-133-107(146)32-44-165-54-64-175-68-58-169-48-38-130-108(147)33-45-166-55-65-176-73-76-179-70-60-171-50-40-132-106(145)31-43-164-53-63-174-69-59-170-49-39-131-109(148)34-46-167-56-66-177-74-78-181-72-62-173-52-42-134-120(159)102(80-91-19-14-13-15-20-91)139-121(160)99(26-28-113(153)154)137-118(157)90(10)135-123(162)115(87(5)6)141-111(150)84-104(143)100(79-86(3)4)138-122(161)103(82-105(128)144)140-124(163)116(88(7)8)142-119(158)98(127)25-27-112(151)152/h13-15,19-20,85-90,92-104,115-116,143H,16-18,21-84,127H2,1-12H3,(H2,128,144)(H2,129,156)(H,130,147)(H,131,148)(H,132,145)(H,133,146)(H,134,159)(H,135,162)(H,136,149)(H,137,157)(H,138,161)(H,139,160)(H,140,163)(H,141,150)(H,142,158)(H,151,152)(H,153,154)/t89-,90+,92+,93+,94+,95-,96+,97+,98+,99+,100+,101+,102+,103+,104+,115+,116+,125+,126-/m1/s1"	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)C[C@H](NC(=O)CCOCCOCCOCCOCCNC(=O)CCOCCOCCOCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCOCCOCCOCCNC(=O)CCOCCOCCOCCOCCNC(=O)[C@H](Cc5ccccc5)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(C)C)C(N)=O)CC[C@]4(C)[C@H]3CC[C@]12C	CC(C)CCCC(C)C1CCC2C3CCC4CC(OC(=O)CC(NC(=O)CCOCCOCCOCCOCCNC(=O)CCOCCOCCOCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCOCCOCCOCCNC(=O)CCOCCOCCOCCOCCNC(=O)C(Cc5ccccc5)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(NC(=O)CC(O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(N)CCC(=O)O)C(C)C)C(C)C)C(N)=O)CCC4(C)C3CCC12C	PPYIATJPXSWXFQ-QLNIFVJRSA-N	.							
PDC_01282	Oligopeptide 14 - Cholestanol conjugate	32	89	"InChI=1S/C111H189N15O33/c1-71(2)17-16-18-75(9)81-23-24-82-80-22-21-78-67-79(29-35-110(78,11)83(80)30-36-111(81,82)12)159-99(138)69-87(102(114)139)120-95(132)34-44-150-52-60-158-63-55-153-47-39-117-93(130)32-42-148-50-58-156-61-53-151-45-37-115-92(129)31-41-147-49-57-155-62-54-152-46-38-116-94(131)33-43-149-51-59-157-64-56-154-48-40-118-105(142)88(66-77-19-14-13-15-20-77)123-106(143)85(26-28-98(136)137)121-103(140)76(10)119-108(145)100(73(5)6)125-96(133)70-90(127)86(65-72(3)4)122-107(144)89(68-91(113)128)124-109(146)101(74(7)8)126-104(141)84(112)25-27-97(134)135/h13-15,19-20,71-76,78-90,100-101,127H,16-18,21-70,112H2,1-12H3,(H2,113,128)(H2,114,139)(H,115,129)(H,116,131)(H,117,130)(H,118,142)(H,119,145)(H,120,132)(H,121,140)(H,122,144)(H,123,143)(H,124,146)(H,125,133)(H,126,141)(H,134,135)(H,136,137)/t75-,76+,78+,79+,80+,81-,82+,83+,84+,85+,86+,87+,88+,89+,90+,100+,101+,110+,111-/m1/s1"	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)C[C@H](NC(=O)CCOCCOCCOCCNC(=O)CCOCCOCCOCCNC(=O)CCOCCOCCOCCNC(=O)CCOCCOCCOCCNC(=O)[C@H](Cc5ccccc5)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(C)C)C(N)=O)CC[C@]4(C)[C@H]3CC[C@]12C	CC(C)CCCC(C)C1CCC2C3CCC4CC(OC(=O)CC(NC(=O)CCOCCOCCOCCNC(=O)CCOCCOCCOCCNC(=O)CCOCCOCCOCCNC(=O)CCOCCOCCOCCNC(=O)C(Cc5ccccc5)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(NC(=O)CC(O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(N)CCC(=O)O)C(C)C)C(C)C)C(N)=O)CCC4(C)C3CCC12C	JFUNKLQCNBLJSK-CHRVGACCSA-N	.							
PDC_01283	Oligopeptide 15 - Cholestanol conjugate	30	83	"InChI=1S/C106H180N14O31/c1-67(2)17-16-18-71(9)77-23-24-78-76-22-21-74-63-75(29-34-105(74,11)79(76)30-35-106(77,78)12)151-94(131)65-83(97(109)132)114-90(125)33-41-142-47-53-148-58-59-149-55-49-144-43-37-111-88(123)31-39-140-45-51-146-54-48-143-42-36-110-89(124)32-40-141-46-52-147-57-60-150-56-50-145-44-38-112-100(135)84(62-73-19-14-13-15-20-73)117-101(136)81(26-28-93(129)130)115-98(133)72(10)113-103(138)95(69(5)6)119-91(126)66-86(121)82(61-68(3)4)116-102(137)85(64-87(108)122)118-104(139)96(70(7)8)120-99(134)80(107)25-27-92(127)128/h13-15,19-20,67-72,74-86,95-96,121H,16-18,21-66,107H2,1-12H3,(H2,108,122)(H2,109,132)(H,110,124)(H,111,123)(H,112,135)(H,113,138)(H,114,125)(H,115,133)(H,116,137)(H,117,136)(H,118,139)(H,119,126)(H,120,134)(H,127,128)(H,129,130)/t71-,72+,74+,75+,76+,77-,78+,79+,80+,81+,82+,83+,84+,85+,86+,95+,96+,105+,106-/m1/s1"	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)C[C@H](NC(=O)CCOCCOCCOCCOCCNC(=O)CCOCCOCCOCCNC(=O)CCOCCOCCOCCOCCNC(=O)[C@H](Cc5ccccc5)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(C)C)C(N)=O)CC[C@]4(C)[C@H]3CC[C@]12C	CC(C)CCCC(C)C1CCC2C3CCC4CC(OC(=O)CC(NC(=O)CCOCCOCCOCCOCCNC(=O)CCOCCOCCOCCNC(=O)CCOCCOCCOCCOCCNC(=O)C(Cc5ccccc5)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(NC(=O)CC(O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(N)CCC(=O)O)C(C)C)C(C)C)C(N)=O)CCC4(C)C3CCC12C	UOIPGRDMAVZSAG-TWNJTRCASA-N	.							
PDC_01284	Oligopeptide 16 - Cholestanol conjugate	28	77	"InChI=1S/C102H172N14O29/c1-63(2)17-16-18-67(9)73-23-24-74-72-22-21-70-59-71(29-34-101(70,11)75(72)30-35-102(73,74)12)145-90(127)61-79(93(105)128)110-86(121)33-41-138-47-53-144-55-49-140-43-37-107-84(119)31-39-136-45-51-142-54-48-139-42-36-106-85(120)32-40-137-46-52-143-56-50-141-44-38-108-96(131)80(58-69-19-14-13-15-20-69)113-97(132)77(26-28-89(125)126)111-94(129)68(10)109-99(134)91(65(5)6)115-87(122)62-82(117)78(57-64(3)4)112-98(133)81(60-83(104)118)114-100(135)92(66(7)8)116-95(130)76(103)25-27-88(123)124/h13-15,19-20,63-68,70-82,91-92,117H,16-18,21-62,103H2,1-12H3,(H2,104,118)(H2,105,128)(H,106,120)(H,107,119)(H,108,131)(H,109,134)(H,110,121)(H,111,129)(H,112,133)(H,113,132)(H,114,135)(H,115,122)(H,116,130)(H,123,124)(H,125,126)/t67-,68+,70+,71+,72+,73-,74+,75+,76+,77+,78+,79+,80+,81+,82+,91+,92+,101+,102-/m1/s1"	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)C[C@H](NC(=O)CCOCCOCCOCCNC(=O)CCOCCOCCOCCNC(=O)CCOCCOCCOCCNC(=O)[C@H](Cc5ccccc5)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(C)C)C(N)=O)CC[C@]4(C)[C@H]3CC[C@]12C	CC(C)CCCC(C)C1CCC2C3CCC4CC(OC(=O)CC(NC(=O)CCOCCOCCOCCNC(=O)CCOCCOCCOCCNC(=O)CCOCCOCCOCCNC(=O)C(Cc5ccccc5)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(NC(=O)CC(O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(N)CCC(=O)O)C(C)C)C(C)C)C(N)=O)CCC4(C)C3CCC12C	LJGAFJSFAAPIES-CITRAZLKSA-N	.							
PDC_01285	Oligopeptide 17 - Cholestanol conjugate	25	68	"InChI=1S/C95H159N13O26/c1-57(2)17-16-18-61(9)67-23-24-68-66-22-21-64-53-65(29-33-94(64,11)69(66)30-34-95(67,68)12)134-83(118)55-73(86(98)119)102-79(112)32-38-128-42-46-132-49-50-133-47-43-129-39-35-99-78(111)31-37-127-41-45-131-48-44-130-40-36-100-89(122)74(52-63-19-14-13-15-20-63)105-90(123)71(26-28-82(116)117)103-87(120)62(10)101-92(125)84(59(5)6)107-80(113)56-76(109)72(51-58(3)4)104-91(124)75(54-77(97)110)106-93(126)85(60(7)8)108-88(121)70(96)25-27-81(114)115/h13-15,19-20,57-62,64-76,84-85,109H,16-18,21-56,96H2,1-12H3,(H2,97,110)(H2,98,119)(H,99,111)(H,100,122)(H,101,125)(H,102,112)(H,103,120)(H,104,124)(H,105,123)(H,106,126)(H,107,113)(H,108,121)(H,114,115)(H,116,117)/t61-,62+,64+,65+,66+,67-,68+,69+,70+,71+,72+,73+,74+,75+,76+,84+,85+,94+,95-/m1/s1"	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)C[C@H](NC(=O)CCOCCOCCOCCOCCNC(=O)CCOCCOCCOCCNC(=O)[C@H](Cc5ccccc5)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(C)C)C(N)=O)CC[C@]4(C)[C@H]3CC[C@]12C	CC(C)CCCC(C)C1CCC2C3CCC4CC(OC(=O)CC(NC(=O)CCOCCOCCOCCOCCNC(=O)CCOCCOCCOCCNC(=O)C(Cc5ccccc5)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(NC(=O)CC(O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(N)CCC(=O)O)C(C)C)C(C)C)C(N)=O)CCC4(C)C3CCC12C	KVDDHWKUVAGHQE-VEVORPHESA-N	.							
PDC_01286	Oligopeptide 18 - Cholestanol conjugate	46	128	"InChI=1S/C168H269N23O46/c1-17-188(18-2)120-34-37-126-139(106-120)237-140-107-121(189(19-3)20-4)35-38-127(140)154(126)123-31-24-25-32-124(123)166(217)191-65-63-190(64-66-191)150(202)44-41-131(169)159(210)176-57-49-142(194)178-111-149(201)180-132(42-45-151(203)204)162(213)187-156(115(11)12)165(216)185-137(108-141(170)193)163(214)183-134(103-113(7)8)138(192)110-148(200)186-155(114(9)10)164(215)179-117(14)158(209)182-133(43-46-152(205)206)161(212)184-136(104-118-29-22-21-23-30-118)160(211)177-62-76-227-86-96-235-102-98-231-90-80-221-70-53-146(198)173-59-73-224-83-93-228-87-77-218-67-50-143(195)174-60-74-225-84-94-233-100-97-230-89-79-220-69-52-145(197)172-58-72-223-82-92-229-88-78-219-68-51-144(196)175-61-75-226-85-95-234-101-99-232-91-81-222-71-54-147(199)181-135(157(171)208)109-153(207)236-122-47-55-167(15)119(105-122)33-36-125-129-40-39-128(116(13)28-26-27-112(5)6)168(129,16)56-48-130(125)167/h21-25,29-32,34-35,37-38,106-107,112-117,119,122,125,128-138,155-156,192H,17-20,26-28,33,36,39-105,108-111,169H2,1-16H3,(H21-,170,171,172,173,174,175,176,177,178,179,180,181,182,183,184,185,186,187,193,194,195,196,197,198,199,200,201,203,204,205,206,208,209,210,211,212,213,214,215,216)/p+1/t116-,117+,119+,122+,125+,128-,129+,130+,131+,132+,133+,134+,135+,136+,137+,138+,155+,156+,167+,168-/m1/s1"	CCN(CC)c1ccc2c(-c3ccccc3C(=O)N3CCN(C(=O)CC[C@H](N)C(=O)NCCC(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(=O)NCCOCCOCCOCCOCCC(=O)NCCOCCOCCOCCC(=O)NCCOCCOCCOCCOCCC(=O)NCCOCCOCCOCCC(=O)NCCOCCOCCOCCOCCC(=O)N[C@@H](CC(=O)O[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]6[C@@H]5CC[C@]5(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]65)C4)C(N)=O)C(C)C)C(C)C)CC3)c3ccc(N(CC)CC)cc3[o+]c2c1	CCN(CC)c1ccc2c(-c3ccccc3C(=O)N3CCN(C(=O)CCC(N)C(=O)NCCC(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(CC(N)=O)C(=O)NC(CC(C)C)C(O)CC(=O)NC(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(Cc4ccccc4)C(=O)NCCOCCOCCOCCOCCC(=O)NCCOCCOCCOCCC(=O)NCCOCCOCCOCCOCCC(=O)NCCOCCOCCOCCC(=O)NCCOCCOCCOCCOCCC(=O)NC(CC(=O)OC4CCC5(C)C(CCC6C5CCC5(C)C(C(C)CCCC(C)C)CCC65)C4)C(N)=O)C(C)C)C(C)C)CC3)c3ccc(N(CC)CC)cc3[o+]c2c1	USCJWTGYSJKZBD-ZEVFTZAUSA-O	.							
PDC_01287	Oligopeptide 19 - Cholestanol conjugate	48	137	"InChI=1S/C146H256N18O49/c1-103(2)17-16-18-107(9)113-23-24-114-112-22-21-110-99-111(29-38-145(110,11)115(112)30-39-146(113,114)12)213-134(179)101-119(137(149)180)158-130(173)37-53-194-67-81-208-92-95-211-87-73-200-59-45-155-126(169)33-49-190-63-77-204-83-69-196-55-41-151-128(171)35-51-192-65-79-206-90-93-209-85-71-198-57-43-153-124(167)31-47-188-61-75-202-82-68-195-54-40-150-127(170)34-50-191-64-78-205-89-94-210-86-72-199-58-44-154-125(168)32-48-189-62-76-203-84-70-197-56-42-152-129(172)36-52-193-66-80-207-91-96-212-88-74-201-60-46-156-140(183)120(98-109-19-14-13-15-20-109)161-141(184)117(26-28-133(177)178)159-138(181)108(10)157-143(186)135(105(5)6)163-131(174)102-122(165)118(97-104(3)4)160-142(185)121(100-123(148)166)162-144(187)136(106(7)8)164-139(182)116(147)25-27-132(175)176/h13-15,19-20,103-108,110-122,135-136,165H,16-18,21-102,147H2,1-12H3,(H2,148,166)(H2,149,180)(H,150,170)(H,151,171)(H,152,172)(H,153,167)(H,154,168)(H,155,169)(H,156,183)(H,157,186)(H,158,173)(H,159,181)(H,160,185)(H,161,184)(H,162,187)(H,163,174)(H,164,182)(H,175,176)(H,177,178)/t107-,108+,110+,111+,112+,113-,114+,115+,116+,117+,118+,119+,120+,121+,122+,135+,136+,145+,146-/m1/s1"	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)C[C@H](NC(=O)CCOCCOCCOCCOCCNC(=O)CCOCCOCCOCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCOCCOCCOCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCOCCOCCOCCNC(=O)CCOCCOCCOCCOCCNC(=O)[C@H](Cc5ccccc5)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(C)C)C(N)=O)CC[C@]4(C)[C@H]3CC[C@]12C	CC(C)CCCC(C)C1CCC2C3CCC4CC(OC(=O)CC(NC(=O)CCOCCOCCOCCOCCNC(=O)CCOCCOCCOCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCOCCOCCOCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCOCCOCCOCCNC(=O)CCOCCOCCOCCOCCNC(=O)C(Cc5ccccc5)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(NC(=O)CC(O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(N)CCC(=O)O)C(C)C)C(C)C)C(N)=O)CCC4(C)C3CCC12C	UAIBZWGCDORXBM-RGJXENNDSA-N	.							
PDC_01288	Oligopeptide 20 - Cholestanol conjugate	21	56	"InChI=1S/C86H142N12O22/c1-49(2)17-16-18-53(9)59-23-24-60-58-22-21-56-45-57(29-32-85(56,11)61(58)30-33-86(59,60)12)120-74(107)47-65(77(89)108)92-70(101)31-35-116-37-39-118-41-42-119-40-38-117-36-34-90-80(111)66(44-55-19-14-13-15-20-55)95-81(112)63(26-28-73(105)106)93-78(109)54(10)91-83(114)75(51(5)6)97-71(102)48-68(99)64(43-50(3)4)94-82(113)67(46-69(88)100)96-84(115)76(52(7)8)98-79(110)62(87)25-27-72(103)104/h13-15,19-20,49-54,56-68,75-76,99H,16-18,21-48,87H2,1-12H3,(H2,88,100)(H2,89,108)(H,90,111)(H,91,114)(H,92,101)(H,93,109)(H,94,113)(H,95,112)(H,96,115)(H,97,102)(H,98,110)(H,103,104)(H,105,106)/t53-,54+,56+,57+,58+,59-,60+,61+,62+,63+,64+,65+,66+,67+,68+,75+,76+,85+,86-/m1/s1"	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)C[C@H](NC(=O)CCOCCOCCOCCOCCNC(=O)[C@H](Cc5ccccc5)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(C)C)C(N)=O)CC[C@]4(C)[C@H]3CC[C@]12C	CC(C)CCCC(C)C1CCC2C3CCC4CC(OC(=O)CC(NC(=O)CCOCCOCCOCCOCCNC(=O)C(Cc5ccccc5)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(NC(=O)CC(O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(N)CCC(=O)O)C(C)C)C(C)C)C(N)=O)CCC4(C)C3CCC12C	LFXKCKMAXYNSBS-FLWARNLKSA-N	.							
PDC_01289	Oligopeptide 21 - Cholestanol conjugate	16	41	"InChI=1S/C75H121N11O17/c1-39(2)17-16-18-43(9)49-23-24-50-48-22-21-46-35-47(29-31-74(46,11)51(48)30-32-75(49,50)12)103-63(94)37-55(66(78)95)82-70(99)56(34-45-19-14-13-15-20-45)83-69(98)53(26-28-62(92)93)80-67(96)44(10)79-72(101)64(41(5)6)85-60(89)38-58(87)54(33-40(3)4)81-71(100)57(36-59(77)88)84-73(102)65(42(7)8)86-68(97)52(76)25-27-61(90)91/h13-15,19-20,39-44,46-58,64-65,87H,16-18,21-38,76H2,1-12H3,(H2,77,88)(H2,78,95)(H,79,101)(H,80,96)(H,81,100)(H,82,99)(H,83,98)(H,84,102)(H,85,89)(H,86,97)(H,90,91)(H,92,93)/t43-,44+,46+,47+,48+,49-,50+,51+,52+,53+,54+,55+,56+,57+,58+,64+,65+,74+,75-/m1/s1"	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)C[C@H](NC(=O)[C@H](Cc5ccccc5)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(C)C)C(N)=O)CC[C@]4(C)[C@H]3CC[C@]12C	CC(C)CCCC(C)C1CCC2C3CCC4CC(OC(=O)CC(NC(=O)C(Cc5ccccc5)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(NC(=O)CC(O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(N)CCC(=O)O)C(C)C)C(C)C)C(N)=O)CCC4(C)C3CCC12C	AODFGSQGIHVHQN-QOEPSQHKSA-N	.							
PDC_01290	Octapeptide recognized and cleaved by MMP2 - Pacitaxel derivative conjugate	24	35	"InChI=1S/C86H118N10O24Si/c1-18-47(4)67(94-64(102)43-90-76(107)57(39-46(2)3)93-77(108)58-35-28-38-96(58)65(103)44-88-50(7)97)78(109)91-49(6)74(105)89-42-63(101)92-56(36-37-62(87)100)80(111)117-60-40-61-85(45-114-61,119-52(9)99)71-73(118-79(110)55-33-26-21-27-34-55)86(113)41-59(48(5)66(83(86,13)14)69(115-51(8)98)72(104)84(60,71)15)116-81(112)70(120-121(16,17)82(10,11)12)68(53-29-22-19-23-30-53)95-75(106)54-31-24-20-25-32-54/h19-27,29-34,46-47,49,56-61,67-71,73,113H,18,28,35-45H2,1-17H3,(H2,87,100)(H,88,97)(H,89,105)(H,90,107)(H,91,109)(H,92,101)(H,93,108)(H,94,102)(H,95,106)/t47-,49-,56-,57-,58-,59-,60-,61+,67-,68-,69+,70+,71-,73-,84+,85-,86+/m0/s1"	CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]12C)C3(C)C	CCC(C)C(NC(=O)CNC(=O)C(CC(C)C)NC(=O)C1CCCN1C(=O)CNC(C)=O)C(=O)NC(C)C(=O)NCC(=O)NC(CCC(N)=O)C(=O)OC1CC2OCC2(OC(C)=O)C2C(OC(=O)c3ccccc3)C3(O)CC(OC(=O)C(O[Si](C)(C)C(C)(C)C)C(NC(=O)c4ccccc4)c4ccccc4)C(C)=C(C(OC(C)=O)C(=O)C12C)C3(C)C	LDTRXOPGXBGOCU-OKNZPZJZSA-N	.							
PDC_01291	Octapeptide recognized and cleaved by MMP3 - Pacitaxel derivative conjugate	24	33	"InChI=1S/C80H104N10O24/c1-13-42(4)62(88-59(96)38-84-71(102)52(34-41(2)3)87-72(103)53-30-23-33-90(53)60(97)39-82-45(7)91)73(104)85-44(6)69(100)83-37-58(95)86-51(31-32-57(81)94)75(106)112-55-35-56-79(40-109-56,114-47(9)93)66-68(113-74(105)50-28-21-16-22-29-50)80(108)36-54(43(5)61(77(80,10)11)65(110-46(8)92)67(99)78(55,66)12)111-76(107)64(98)63(48-24-17-14-18-25-48)89-70(101)49-26-19-15-20-27-49/h14-22,24-29,41-42,44,51-56,62-66,68,98,108H,13,23,30-40H2,1-12H3,(H2,81,94)(H,82,91)(H,83,100)(H,84,102)(H,85,104)(H,86,95)(H,87,103)(H,88,96)(H,89,101)/t42-,44-,51-,52-,53-,54-,55-,56+,62-,63-,64+,65+,66-,68-,78+,79-,80+/m0/s1"	CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]12C)C3(C)C	CCC(C)C(NC(=O)CNC(=O)C(CC(C)C)NC(=O)C1CCCN1C(=O)CNC(C)=O)C(=O)NC(C)C(=O)NCC(=O)NC(CCC(N)=O)C(=O)OC1CC2OCC2(OC(C)=O)C2C(OC(=O)c3ccccc3)C3(O)CC(OC(=O)C(O)C(NC(=O)c4ccccc4)c4ccccc4)C(C)=C(C(OC(C)=O)C(=O)C12C)C3(C)C	JZQNLPLPCIHSBX-HYUBKVMMSA-N	.							
PDC_01292	Octapeptide recognized and cleaved by MMP4 - Pacitaxel derivative conjugate	24	33	"InChI=1S/C80H104N10O24/c1-13-42(4)62(88-59(97)38-84-71(102)52(34-41(2)3)87-72(103)53-30-23-33-90(53)60(98)39-82-45(7)91)73(104)85-44(6)69(100)83-37-58(96)86-51(31-32-57(81)95)75(106)112-65(63(48-24-17-14-18-25-48)89-70(101)49-26-19-15-20-27-49)76(107)111-54-36-80(108)68(113-74(105)50-28-21-16-22-29-50)66-78(12,55(94)35-56-79(66,40-109-56)114-47(9)93)67(99)64(110-46(8)92)61(43(54)5)77(80,10)11/h14-22,24-29,41-42,44,51-56,62-66,68,94,108H,13,23,30-40H2,1-12H3,(H2,81,95)(H,82,91)(H,83,100)(H,84,102)(H,85,104)(H,86,96)(H,87,103)(H,88,97)(H,89,101)/t42-,44-,51-,52-,53-,54-,55-,56+,62-,63-,64+,65+,66-,68-,78+,79-,80+/m0/s1"	CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)O[C@@H](C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](NC(=O)c1ccccc1)c1ccccc1	CCC(C)C(NC(=O)CNC(=O)C(CC(C)C)NC(=O)C1CCCN1C(=O)CNC(C)=O)C(=O)NC(C)C(=O)NCC(=O)NC(CCC(N)=O)C(=O)OC(C(=O)OC1CC2(O)C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(O)C3(C)C(=O)C(OC(C)=O)C(=C1C)C2(C)C)C(NC(=O)c1ccccc1)c1ccccc1	WZPPFAAUAFGMQQ-HYUBKVMMSA-N	.							
PDC_01293	KK (plasma membrane delivery) - Alkyne-functionalized cysteine protease inhibitor L1 conjugate	13	40	"InChI=1S/C54H84N12O7/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-29-49(67)58-36-23-21-27-46(51(57)69)60-53(71)47(28-20-22-35-55)59-50(68)30-24-37-66-39-44(62-63-66)40-73-45-33-31-43(32-34-45)52(70)61-48(38-42-25-17-16-18-26-42)54(72)65(3)64(2)41-56/h16-18,25-26,31-34,39,46-48H,4-15,19-24,27-30,35-38,40,55H2,1-3H3,(H2,57,69)(H,58,67)(H,59,68)(H,60,71)(H,61,70)/t46-,47-,48-/m0/s1"	CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)CCCn1cc(COc2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)N(C)C#N)cc2)nn1)C(N)=O	CCCCCCCCCCCCCCCC(=O)NCCCCC(NC(=O)C(CCCCN)NC(=O)CCCn1cc(COc2ccc(C(=O)NC(Cc3ccccc3)C(=O)N(C)N(C)C#N)cc2)nn1)C(N)=O	RWUHCTFQFARTMA-QQVWZEJNSA-N	.							
PDC_01294	SV40 (nucleus delivery) - Alkyne-functionalized cysteine protease inhibitor L1 conjugate	20	46	"InChI=1S/C61H99N21O10/c1-40(2)52(53(67)84)77-59(90)48(23-11-15-33-65)74-58(89)49(24-16-34-70-61(68)69)75-57(88)47(22-10-14-32-64)73-56(87)46(21-9-13-31-63)72-55(86)45(20-8-12-30-62)71-51(83)25-17-35-82-37-43(78-79-82)38-92-44-28-26-42(27-29-44)54(85)76-50(36-41-18-6-5-7-19-41)60(91)81(4)80(3)39-66/h5-7,18-19,26-29,37,40,45-50,52H,8-17,20-25,30-36,38,62-65H2,1-4H3,(H2,67,84)(H,71,83)(H,72,86)(H,73,87)(H,74,89)(H,75,88)(H,76,85)(H,77,90)(H4,68,69,70)/t45-,46-,47-,48-,49-,50-,52-/m0/s1"	CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CCCn1cc(COc2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)N(C)C#N)cc2)nn1)C(N)=O	CC(C)C(NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)CCCn1cc(COc2ccc(C(=O)NC(Cc3ccccc3)C(=O)N(C)N(C)C#N)cc2)nn1)C(N)=O	SQVWOGCWPCQHDU-WQSMZOGMSA-N	.							
PDC_01295	Tat (lysosome delivery) - Alkyne-functionalized cysteine protease inhibitor L1 conjugate	27	66	"InChI=1S/C79H134N38O14/c1-115(46-82)116(2)73(130)60(43-47-17-4-3-5-18-47)112-64(121)48-28-30-50(31-29-48)131-45-49-44-117(114-113-49)42-16-27-62(119)103-52(22-11-37-98-75(87)88)65(122)105-53(19-6-8-34-80)67(124)106-54(20-7-9-35-81)68(125)108-56(24-13-39-100-77(91)92)69(126)109-58(26-15-41-102-79(95)96)71(128)111-59(32-33-61(83)118)72(129)110-57(25-14-40-101-78(93)94)70(127)107-55(23-12-38-99-76(89)90)66(123)104-51(63(84)120)21-10-36-97-74(85)86/h3-5,17-18,28-31,44,51-60H,6-16,19-27,32-43,45,80-81H2,1-2H3,(H2,83,118)(H2,84,120)(H,103,119)(H,104,123)(H,105,122)(H,106,124)(H,107,127)(H,108,125)(H,109,126)(H,110,129)(H,111,128)(H,112,121)(H4,85,86,97)(H4,87,88,98)(H4,89,90,99)(H4,91,92,100)(H4,93,94,101)(H4,95,96,102)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1"	CN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(OCc2cn(CCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)nn2)cc1	CN(C#N)N(C)C(=O)C(Cc1ccccc1)NC(=O)c1ccc(OCc2cn(CCCC(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(N)=O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(N)=O)nn2)cc1	VXZREZGWYRYSFH-ZJQPJSICSA-N	.							
PDC_01296	"Neuropeptide Y derivative - 1-Fluoro-2-cyclooctyne-1-carboxylic acid + DOTA (1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid) derivative) conjugate 1"	40	82	"InChI=1S/C123H192FN39O31/c1-6-71(4)101(116(191)152-91(62-95(127)170)111(186)149-88(57-70(2)3)112(187)155-102(72(5)165)117(192)147-85(23-17-44-141-122(133)134)107(182)146-86(38-39-94(126)169)109(184)145-84(22-16-43-140-121(131)132)108(183)148-87(104(128)179)59-74-28-34-78(167)35-29-74)154-113(188)89(60-75-30-36-79(168)37-31-75)150-110(185)90(61-76-63-135-69-142-76)151-106(181)83(21-15-42-139-120(129)130)143-96(171)25-10-8-13-41-137-105(180)82(144-114(189)92(68-164)153-115(190)93-24-18-47-162(93)118(193)80(125)58-73-26-32-77(166)33-27-73)20-11-14-48-163-103-81(156-157-163)19-9-7-12-40-123(103,124)119(194)138-46-45-136-97(172)64-158-49-51-159(65-98(173)174)53-55-161(67-100(177)178)56-54-160(52-50-158)66-99(175)176/h26-37,63,69-72,80,82-93,101-102,164-168H,6-25,38-62,64-68,125H2,1-5H3,(H2,126,169)(H2,127,170)(H2,128,179)(H,135,142)(H,136,172)(H,137,180)(H,138,194)(H,143,171)(H,144,189)(H,145,184)(H,146,182)(H,147,192)(H,148,183)(H,149,186)(H,150,185)(H,151,181)(H,152,191)(H,153,190)(H,154,188)(H,155,187)(H,173,174)(H,175,176)(H,177,178)(H4,129,130,139)(H4,131,132,140)(H4,133,134,141)/t71-,72+,80-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,101-,102-,123?/m0/s1"	CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCn1nnc2c1C(F)(C(=O)NCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)CCCCC2)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O	CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CCCN=C(N)N)NC(=O)CCCCCNC(=O)C(CCCCn1nnc2c1C(F)(C(=O)NCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)CCCCC2)NC(=O)C(CO)NC(=O)C1CCCN1C(=O)C(N)Cc1ccc(O)cc1)C(=O)NC(CC(N)=O)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(N)=O)C(=O)NC(CCCN=C(N)N)C(=O)NC(Cc1ccc(O)cc1)C(N)=O)C(C)O	SNXQMJCDIOLXFP-QFRFTRQHSA-N	.							
PDC_01297	"Neuropeptide Y derivative - 1-Fluoro-2-cyclooctyne-1-carboxylic acid + DOTA (1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid) derivative) conjugate 2"	40	82	"InChI=1S/C123H192FN39O31/c1-6-71(4)101(116(191)152-91(62-95(127)170)111(186)149-88(57-70(2)3)112(187)155-102(72(5)165)117(192)147-85(23-17-44-141-122(133)134)107(182)146-86(38-39-94(126)169)109(184)145-84(22-16-43-140-121(131)132)108(183)148-87(104(128)179)59-74-28-34-78(167)35-29-74)154-113(188)89(60-75-30-36-79(168)37-31-75)150-110(185)90(61-76-63-135-69-142-76)151-106(181)83(21-15-42-139-120(129)130)143-96(171)25-10-8-13-41-137-105(180)82(144-114(189)92(68-164)153-115(190)93-24-18-47-162(93)118(193)80(125)58-73-26-32-77(166)33-27-73)20-11-14-48-163-103-81(156-157-163)19-9-7-12-40-123(103,124)119(194)138-46-45-136-97(172)64-158-49-51-159(65-98(173)174)53-55-161(67-100(177)178)56-54-160(52-50-158)66-99(175)176/h26-37,63,69-72,80,82-93,101-102,164-168H,6-25,38-62,64-68,125H2,1-5H3,(H2,126,169)(H2,127,170)(H2,128,179)(H,135,142)(H,136,172)(H,137,180)(H,138,194)(H,143,171)(H,144,189)(H,145,184)(H,146,182)(H,147,192)(H,148,183)(H,149,186)(H,150,185)(H,151,181)(H,152,191)(H,153,190)(H,154,188)(H,155,187)(H,173,174)(H,175,176)(H,177,178)(H4,129,130,139)(H4,131,132,140)(H4,133,134,141)/t71-,72+,80-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,101-,102-,123?/m0/s1"	CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCn1nnc2c1C(F)(C(=O)NCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)CCCCC2)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O	CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CCCN=C(N)N)NC(=O)CCCCCNC(=O)C(CCCCn1nnc2c1C(F)(C(=O)NCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)CCCCC2)NC(=O)C(CO)NC(=O)C1CCCN1C(=O)C(N)Cc1ccc(O)cc1)C(=O)NC(CC(N)=O)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(N)=O)C(=O)NC(CCCN=C(N)N)C(=O)NC(Cc1ccc(O)cc1)C(N)=O)C(C)O	SNXQMJCDIOLXFP-QFRFTRQHSA-N	.							
PDC_01298	Dipeptide 29 - Porphine derivative conjugate	30	44	"InChI=1S/C108H130N24O16/c1-21-57(9)89(101(137)117-93(61(13)25-5)105(141)145-17)113-97(133)81-53-129(125-121-81)69-37-29-33-65(49-69)85-73-41-43-75(109-73)86(66-34-30-38-70(50-66)130-54-82(122-126-130)98(134)114-90(58(10)22-2)102(138)118-94(62(14)26-6)106(142)146-18)77-45-47-79(111-77)88(68-36-32-40-72(52-68)132-56-84(124-128-132)100(136)116-92(60(12)24-4)104(140)120-96(64(16)28-8)108(144)148-20)80-48-46-78(112-80)87(76-44-42-74(85)110-76)67-35-31-39-71(51-67)131-55-83(123-127-131)99(135)115-91(59(11)23-3)103(139)119-95(63(15)27-7)107(143)147-19/h29-64,89-96,109,112H,21-28H2,1-20H3,(H,113,133)(H,114,134)(H,115,135)(H,116,136)(H,117,137)(H,118,138)(H,119,139)(H,120,140)/t57-,58-,59-,60-,61-,62-,63-,64-,89-,90-,91-,92-,93-,94-,95-,96-/m0/s1"	CC[C@H](C)[C@H](NC(=O)c1cn(-c2cccc(-c3c4ccc([nH]4)c(-c4cccc(-n5cc(C(=O)N[C@H](C(=O)N[C@H](C(=O)OC)[C@@H](C)CC)[C@@H](C)CC)nn5)c4)c4nc(c(-c5cccc(-n6cc(C(=O)N[C@H](C(=O)N[C@H](C(=O)OC)[C@@H](C)CC)[C@@H](C)CC)nn6)c5)c5ccc([nH]5)c(-c5cccc(-n6cc(C(=O)N[C@H](C(=O)N[C@H](C(=O)OC)[C@@H](C)CC)[C@@H](C)CC)nn6)c5)c5nc3C=C5)C=C4)c2)nn1)C(=O)N[C@H](C(=O)OC)[C@@H](C)CC	CCC(C)C(NC(=O)c1cn(-c2cccc(-c3c4nc(c(-c5cccc(-n6cc(C(=O)NC(C(=O)NC(C(=O)OC)C(C)CC)C(C)CC)nn6)c5)c5ccc([nH]5)c(-c5cccc(-n6cc(C(=O)NC(C(=O)NC(C(=O)OC)C(C)CC)C(C)CC)nn6)c5)c5nc(c(-c6cccc(-n7cc(C(=O)NC(C(=O)NC(C(=O)OC)C(C)CC)C(C)CC)nn7)c6)c6ccc3[nH]6)C=C5)C=C4)c2)nn1)C(=O)NC(C(=O)OC)C(C)CC	JUDUSOPBXJXVIU-ARFMKYDPSA-N	.							
PDC_01299	"Nuclear localization sequences (NLS) 1 - 2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonamide conjugate"	22	41	"InChI=1S/C79H137N15O20S/c1-47(2)59(68(102)110-74(6,7)8)92-66(100)55(36-26-30-42-86-73(106)114-78(18,19)20)89-65(99)56(37-31-43-82-69(81)93-115(107,108)61-49(4)48(3)60-51(50(61)5)45-79(21,22)109-60)90-63(97)53(34-24-28-40-84-71(104)112-76(12,13)14)87-62(96)52(33-23-27-39-83-70(103)111-75(9,10)11)88-64(98)54(35-25-29-41-85-72(105)113-77(15,16)17)91-67(101)57-38-32-44-94(57)58(95)46-80/h47,52-57,59H,23-46,80H2,1-22H3,(H,83,103)(H,84,104)(H,85,105)(H,86,106)(H,87,96)(H,88,98)(H,89,99)(H,90,97)(H,91,101)(H,92,100)(H3,81,82,93)/t52-,53-,54-,55-,56-,57-,59-/m0/s1"	Cc1c(C)c(S(=O)(=O)NC(N)=NCCC[C@H](NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@@H]2CCCN2C(=O)CN)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)OC(C)(C)C)C(C)C)c(C)c2c1OC(C)(C)C2	Cc1c(C)c(S(=O)(=O)NC(N)=NCCCC(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C2CCCN2C(=O)CN)C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)NC(C(=O)OC(C)(C)C)C(C)C)c(C)c2c1OC(C)(C)C2	YFZUSHOBVKYRKV-FDWRCCRUSA-N	.							
PDC_01300	Nuclear localization sequences (NLS) 2 - Porphine derivative conjugate	47	125	"InChI=1S/C164H252N38O37/c1-107(2)146(161(223)224)199-157(219)128(46-20-28-70-171)193-155(217)130(48-30-72-179-163(173)174)195-151(213)124(42-16-24-66-167)189-149(211)122(40-14-22-64-165)191-153(215)126(44-18-26-68-169)197-159(221)133-50-32-76-201(133)140(208)101-181-136(204)103-237-98-96-235-94-92-233-90-88-231-86-84-229-82-80-227-78-74-177-135(203)100-132(188-139(207)106-239-105-138(206)183-113-54-52-112(53-55-113)145-120-62-60-118(186-120)143(110-36-10-6-11-37-110)116-58-56-114(184-116)142(109-34-8-5-9-35-109)115-57-59-117(185-115)144(111-38-12-7-13-39-111)119-61-63-121(145)187-119)148(210)178-75-79-228-81-83-230-85-87-232-89-91-234-93-95-236-97-99-238-104-137(205)182-102-141(209)202-77-33-51-134(202)160(222)198-127(45-19-27-69-170)154(216)192-123(41-15-23-65-166)150(212)190-125(43-17-25-67-168)152(214)196-131(49-31-73-180-164(175)176)156(218)194-129(47-21-29-71-172)158(220)200-147(108(3)4)162(225)226/h5-13,34-39,52-63,107-108,122-134,146-147,186-187H,14-33,40-51,64-106,165-172H2,1-4H3,(H,177,203)(H,178,210)(H,181,204)(H,182,205)(H,183,206)(H,188,207)(H,189,211)(H,190,212)(H,191,215)(H,192,216)(H,193,217)(H,194,218)(H,195,213)(H,196,214)(H,197,221)(H,198,222)(H,199,219)(H,200,220)(H,223,224)(H,225,226)(H4,173,174,179)(H4,175,176,180)/t122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,146-,147-/m0/s1"	CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)COCCOCCOCCOCCOCCOCCNC(=O)C[C@H](NC(=O)COCC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)NCCOCCOCCOCCOCCOCCOCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)O)C(C)C)C(=O)O	CC(C)C(NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)CNC(=O)COCCOCCOCCOCCOCCOCCNC(=O)CC(NC(=O)COCC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)NCCOCCOCCOCCOCCOCCOCC(=O)NCC(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(C(=O)O)C(C)C)C(=O)O	FXFUXTUTWCTKCC-MTBNDVHGSA-N	.							
PDC_01301	Nuclear localization sequences (NLS) 1 - Porphine derivative conjugate	48	126	"InChI=1S/C164H252N38O38/c1-107(2)147(161(223)224)199-157(219)129(41-17-25-69-171)193-155(217)131(43-27-71-179-163(173)174)195-151(213)125(37-13-21-65-167)189-149(211)123(35-11-19-63-165)191-153(215)127(39-15-23-67-169)197-159(221)133-45-29-75-201(133)141(209)99-181-137(205)101-237-97-95-235-93-91-233-89-87-231-85-83-229-81-79-227-77-73-177-135(203)103-239-105-139(207)183-113-51-47-111(48-52-113)145-119-59-57-117(186-119)143(109-31-7-5-8-32-109)115-55-56-116(185-115)144(110-33-9-6-10-34-110)118-58-60-120(187-118)146(122-62-61-121(145)188-122)112-49-53-114(54-50-112)184-140(208)106-240-104-136(204)178-74-78-228-80-82-230-84-86-232-88-90-234-92-94-236-96-98-238-102-138(206)182-100-142(210)202-76-30-46-134(202)160(222)198-128(40-16-24-68-170)154(216)192-124(36-12-20-64-166)150(212)190-126(38-14-22-66-168)152(214)196-132(44-28-72-180-164(175)176)156(218)194-130(42-18-26-70-172)158(220)200-148(108(3)4)162(225)226/h5-10,31-34,47-62,107-108,123-134,147-148,186,188H,11-30,35-46,63-106,165-172H2,1-4H3,(H,177,203)(H,178,204)(H,181,205)(H,182,206)(H,183,207)(H,184,208)(H,189,211)(H,190,212)(H,191,215)(H,192,216)(H,193,217)(H,194,218)(H,195,213)(H,196,214)(H,197,221)(H,198,222)(H,199,219)(H,200,220)(H,223,224)(H,225,226)(H4,173,174,179)(H4,175,176,180)/t123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,147-,148-/m0/s1"	CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)COCCOCCOCCOCCOCCOCCNC(=O)COCC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccc(NC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCC(=O)NCC(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)O)C(C)C)cc3)c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc2C=C4)C=C3)cc1)C(=O)O	CC(C)C(NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)CNC(=O)COCCOCCOCCOCCOCCOCCNC(=O)COCC(=O)Nc1ccc(-c2c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc([nH]5)c(-c5ccc(NC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCC(=O)NCC(=O)N6CCCC6C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(C(=O)O)C(C)C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)O	AMOACNFEYFIRQW-GNGVIDBCSA-N	.							
PDC_01302	Glu-AQ 1 - 9-Acridinecarboxylic acid conjugate	10	15	"InChI=1S/C37H51N13O7/c38-36(39)43-17-7-14-26-32(54)50-28(20-51)34(56)49-27(15-8-18-44-37(40)41)33(55)48-25(31(53)45-19-29(52)47-26)13-5-6-16-42-35(57)30-21-9-1-3-11-23(21)46-24-12-4-2-10-22(24)30/h1-4,9-12,25-28,51H,5-8,13-20H2,(H,42,57)(H,45,53)(H,47,52)(H,48,55)(H,49,56)(H,50,54)(H4,38,39,43)(H4,40,41,44)/t25-,26+,27+,28+/m1/s1"	NC(N)=NCCC[C@@H]1NC(=O)CNC(=O)[C@@H](CCCCNC(=O)c2c3ccccc3nc3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC1=O	NC(N)=NCCCC1NC(=O)CNC(=O)C(CCCCNC(=O)c2c3ccccc3nc3ccccc23)NC(=O)C(CCCN=C(N)N)NC(=O)C(CO)NC1=O	IMOHBMBSXZKJEZ-UNFRKHOWSA-N	.							
PDC_01303	Glu-AQ 2 - 2-Anthraquinonecarboxylic acid conjugate 1	16	18	"InChI=1S/C63H80N12O14S2/c1-32-34(3)54(36(5)43-28-62(7,8)88-52(32)43)90(84,85)74-60(64)67-25-15-20-45-57(81)69-31-49(77)72-47(21-16-26-68-61(65)75-91(86,87)55-35(4)33(2)53-44(37(55)6)29-63(9,10)89-53)59(83)73-46(58(82)70-30-48(76)71-45)19-13-14-24-66-56(80)38-22-23-41-42(27-38)51(79)40-18-12-11-17-39(40)50(41)78/h11-12,17-18,22-23,27,45-47H,13-16,19-21,24-26,28-31H2,1-10H3,(H,66,80)(H,69,81)(H,70,82)(H,71,76)(H,72,77)(H,73,83)(H3,64,67,74)(H3,65,68,75)/t45-,46+,47-/m0/s1"	Cc1c(C)c(S(=O)(=O)NC(N)=NCCC[C@@H]2NC(=O)CNC(=O)[C@@H](CCCCNC(=O)c3ccc4c(c3)C(=O)c3ccccc3C4=O)NC(=O)[C@H](CCCN=C(N)NS(=O)(=O)c3c(C)c(C)c4c(c3C)CC(C)(C)O4)NC(=O)CNC2=O)c(C)c2c1OC(C)(C)C2	Cc1c(C)c(S(=O)(=O)NC(N)=NCCCC2NC(=O)CNC(=O)C(CCCCNC(=O)c3ccc4c(c3)C(=O)c3ccccc3C4=O)NC(=O)C(CCCN=C(N)NS(=O)(=O)c3c(C)c(C)c4c(c3C)CC(C)(C)O4)NC(=O)CNC2=O)c(C)c2c1OC(C)(C)C2	PKCPTPJKCHRRCO-GJGJFQFFSA-N	.							
PDC_01304	Glu-AQ 1 - 2-Anthraquinonecarboxylic acid conjugate 1	17	20	"InChI=1S/C68H90N12O15S2/c1-35-37(3)57(39(5)46-31-67(10,11)94-55(35)46)96(89,90)79-64(69)72-28-18-23-49-61(86)78-51(34-93-66(7,8)9)63(88)77-50(24-19-29-73-65(70)80-97(91,92)58-38(4)36(2)56-47(40(58)6)32-68(12,13)95-56)62(87)76-48(60(85)74-33-52(81)75-49)22-16-17-27-71-59(84)41-25-26-44-45(30-41)54(83)43-21-15-14-20-42(43)53(44)82/h14-15,20-21,25-26,30,48-51H,16-19,22-24,27-29,31-34H2,1-13H3,(H,71,84)(H,74,85)(H,75,81)(H,76,87)(H,77,88)(H,78,86)(H3,69,72,79)(H3,70,73,80)/t48-,49+,50+,51+/m1/s1"	Cc1c(C)c(S(=O)(=O)NC(N)=NCCC[C@@H]2NC(=O)CNC(=O)[C@@H](CCCCNC(=O)c3ccc4c(c3)C(=O)c3ccccc3C4=O)NC(=O)[C@H](CCCN=C(N)NS(=O)(=O)c3c(C)c(C)c4c(c3C)CC(C)(C)O4)NC(=O)[C@H](COC(C)(C)C)NC2=O)c(C)c2c1OC(C)(C)C2	Cc1c(C)c(S(=O)(=O)NC(N)=NCCCC2NC(=O)CNC(=O)C(CCCCNC(=O)c3ccc4c(c3)C(=O)c3ccccc3C4=O)NC(=O)C(CCCN=C(N)NS(=O)(=O)c3c(C)c(C)c4c(c3C)CC(C)(C)O4)NC(=O)C(COC(C)(C)C)NC2=O)c(C)c2c1OC(C)(C)C2	KAVXULVOPVLSNY-VLTLVFMNSA-N	.							
PDC_01305	Glu-AQ 1 - 2-Anthraquinonecarboxylic acid conjugate	11	15	"InChI=1S/C38H50N12O9/c39-37(40)44-15-5-10-26-34(57)50-28(19-51)36(59)49-27(11-6-16-45-38(41)42)35(58)48-25(33(56)46-18-29(52)47-26)9-3-4-14-43-32(55)20-12-13-23-24(17-20)31(54)22-8-2-1-7-21(22)30(23)53/h1-2,7-8,12-13,17,25-28,51H,3-6,9-11,14-16,18-19H2,(H,43,55)(H,46,56)(H,47,52)(H,48,58)(H,49,59)(H,50,57)(H4,39,40,44)(H4,41,42,45)/t25-,26-,27-,28-/m0/s1"	NC(N)=NCCC[C@@H]1NC(=O)CNC(=O)[C@H](CCCCNC(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC1=O	NC(N)=NCCCC1NC(=O)CNC(=O)C(CCCCNC(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CO)NC1=O	CRLYEQKVSSXICN-LJWNLINESA-N	.							
PDC_01306	Glu-AQ 2 - 2-Anthraquinonecarboxylic acid conjugate	10	14	"InChI=1S/C37H48N12O8/c38-36(39)43-15-5-10-25-33(55)45-19-29(51)48-27(11-6-16-44-37(40)41)35(57)49-26(34(56)46-18-28(50)47-25)9-3-4-14-42-32(54)20-12-13-23-24(17-20)31(53)22-8-2-1-7-21(22)30(23)52/h1-2,7-8,12-13,17,25-27H,3-6,9-11,14-16,18-19H2,(H,42,54)(H,45,55)(H,46,56)(H,47,50)(H,48,51)(H,49,57)(H4,38,39,43)(H4,40,41,44)/t25-,26+,27-/m0/s1"	NC(N)=NCCC[C@@H]1NC(=O)CNC(=O)[C@@H](CCCCNC(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC1=O	NC(N)=NCCCC1NC(=O)CNC(=O)C(CCCCNC(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)NC(=O)C(CCCN=C(N)N)NC(=O)CNC1=O	YPDHVOZLXILGHY-VJGNERBWSA-N	.							
PDC_01307	Glu-AQ 3 - 2-Anthraquinonecarboxylic acid conjugate	11	17	"InChI=1S/C40H52N12O10/c41-39(42)46-17-5-10-27-36(60)52-29(14-15-31(54)55)38(62)51-28(11-6-18-47-40(43)44)37(61)50-26(35(59)48-20-30(53)49-27)9-3-4-16-45-34(58)21-12-13-24-25(19-21)33(57)23-8-2-1-7-22(23)32(24)56/h1-2,7-8,12-13,19,26-29H,3-6,9-11,14-18,20H2,(H,45,58)(H,48,59)(H,49,53)(H,50,61)(H,51,62)(H,52,60)(H,54,55)(H4,41,42,46)(H4,43,44,47)/t26-,27+,28+,29+/m1/s1"	NC(N)=NCCC[C@@H]1NC(=O)CNC(=O)[C@@H](CCCCNC(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(=O)O)NC1=O	NC(N)=NCCCC1NC(=O)CNC(=O)C(CCCCNC(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCC(=O)O)NC1=O	PZBYCXMZSBQBDE-VVZGZWEYSA-N	.							
PDC_01309	Glu-AQ 4 - 2-Anthraquinonecarboxylic acid conjugate	11	24	"InChI=1S/C38H51N11O10/c39-37(40)44-16-6-10-26(34(57)46-19-30(52)53)48-36(59)28(20-50)49-35(58)27(11-7-17-45-38(41)42)47-29(51)12-2-1-5-15-43-33(56)21-13-14-24-25(18-21)32(55)23-9-4-3-8-22(23)31(24)54/h3-4,8-9,13-14,18,26-28,50H,1-2,5-7,10-12,15-17,19-20H2,(H,43,56)(H,46,57)(H,47,51)(H,48,59)(H,49,58)(H,52,53)(H4,39,40,44)(H4,41,42,45)/t26-,27-,28-/m0/s1"	NC(N)=NCCC[C@H](NC(=O)CCCCCNC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O	NC(N)=NCCCC(NC(=O)CCCCCNC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O)C(=O)NC(CO)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)O	OHIXDHPFGYJAOC-KCHLEUMXSA-N	.							
PDC_01310	"Glu-AQ 2 - 2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonamide conjugate 1"	14	16	"InChI=1S/C48H74N12O11S2/c1-25-27(3)40(29(5)31-21-47(7,8)70-38(25)31)72(66,67)59-45(50)52-19-13-16-33-42(63)54-24-37(62)57-35(44(65)58-34(15-11-12-18-49)43(64)55-23-36(61)56-33)17-14-20-53-46(51)60-73(68,69)41-28(4)26(2)39-32(30(41)6)22-48(9,10)71-39/h33-35H,11-24,49H2,1-10H3,(H,54,63)(H,55,64)(H,56,61)(H,57,62)(H,58,65)(H3,50,52,59)(H3,51,53,60)/t33-,34+,35-/m0/s1"	Cc1c(C)c(S(=O)(=O)NC(N)=NCCC[C@@H]2NC(=O)CNC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCN=C(N)NS(=O)(=O)c3c(C)c(C)c4c(c3C)CC(C)(C)O4)NC(=O)CNC2=O)c(C)c2c1OC(C)(C)C2	Cc1c(C)c(S(=O)(=O)NC(N)=NCCCC2NC(=O)CNC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)NS(=O)(=O)c3c(C)c(C)c4c(c3C)CC(C)(C)O4)NC(=O)CNC2=O)c(C)c2c1OC(C)(C)C2	DVGYNSLYPYFLQP-XFQWPLCWSA-N	.							
PDC_01311	"Glu-AQ 2 - 2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonamide conjugate"	15	17	"InChI=1S/C53H82N12O13S2/c1-28-30(3)43(32(5)34-24-52(10,11)76-41(28)34)79(72,73)64-48(54)56-22-16-19-36-45(68)59-27-40(67)62-38(47(70)63-37(46(69)60-26-39(66)61-36)18-14-15-21-58-50(71)78-51(7,8)9)20-17-23-57-49(55)65-80(74,75)44-31(4)29(2)42-35(33(44)6)25-53(12,13)77-42/h36-38H,14-27H2,1-13H3,(H,58,71)(H,59,68)(H,60,69)(H,61,66)(H,62,67)(H,63,70)(H3,54,56,64)(H3,55,57,65)/t36-,37+,38-/m0/s1"	Cc1c(C)c(S(=O)(=O)NC(N)=NCCC[C@@H]2NC(=O)CNC(=O)[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H](CCCN=C(N)NS(=O)(=O)c3c(C)c(C)c4c(c3C)CC(C)(C)O4)NC(=O)CNC2=O)c(C)c2c1OC(C)(C)C2	Cc1c(C)c(S(=O)(=O)NC(N)=NCCCC2NC(=O)CNC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(CCCN=C(N)NS(=O)(=O)c3c(C)c(C)c4c(c3C)CC(C)(C)O4)NC(=O)CNC2=O)c(C)c2c1OC(C)(C)C2	VWIDQNOSRGBBHB-VYSOZWTASA-N	.							
PDC_01312	"Glu-AQ 5 - 2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonamide conjugate"	16	26	"InChI=1S/C53H84N12O14S2/c1-28-30(3)43(32(5)34-24-52(10,11)77-41(28)34)80(73,74)64-48(55)57-22-16-19-36(61-39(66)26-54)45(68)60-27-40(67)62-37(46(69)63-38(47(70)71)18-14-15-21-59-50(72)79-51(7,8)9)20-17-23-58-49(56)65-81(75,76)44-31(4)29(2)42-35(33(44)6)25-53(12,13)78-42/h36-38H,14-27,54H2,1-13H3,(H,59,72)(H,60,68)(H,61,66)(H,62,67)(H,63,69)(H,70,71)(H3,55,57,64)(H3,56,58,65)/t36-,37-,38+/m0/s1"	Cc1c(C)c(S(=O)(=O)NC(N)=NCCC[C@H](NC(=O)CN)C(=O)NCC(=O)N[C@@H](CCCN=C(N)NS(=O)(=O)c2c(C)c(C)c3c(c2C)CC(C)(C)O3)C(=O)N[C@H](CCCCNC(=O)OC(C)(C)C)C(=O)O)c(C)c2c1OC(C)(C)C2	Cc1c(C)c(S(=O)(=O)NC(N)=NCCCC(NC(=O)CN)C(=O)NCC(=O)NC(CCCN=C(N)NS(=O)(=O)c2c(C)c(C)c3c(c2C)CC(C)(C)O3)C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)O)c(C)c2c1OC(C)(C)C2	GBTRTBSUTMHCLK-XEZIGOATSA-N	.							
PDC_01313	"Glu-AQ 3 - 2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonamide conjugate 1"	18	21	"InChI=1S/C70H92N12O16S2/c1-36-38(3)59(40(5)47-33-69(10,11)97-57(36)47)99(92,93)81-66(71)74-30-18-23-50-63(89)80-52(27-28-54(84)96-68(7,8)9)65(91)79-51(24-19-31-75-67(72)82-100(94,95)60-39(4)37(2)58-48(41(60)6)34-70(12,13)98-58)64(90)78-49(62(88)76-35-53(83)77-50)22-16-17-29-73-61(87)42-25-26-45-46(32-42)56(86)44-21-15-14-20-43(44)55(45)85/h14-15,20-21,25-26,32,49-52H,16-19,22-24,27-31,33-35H2,1-13H3,(H,73,87)(H,76,88)(H,77,83)(H,78,90)(H,79,91)(H,80,89)(H3,71,74,81)(H3,72,75,82)/t49-,50+,51+,52+/m1/s1"	Cc1c(C)c(S(=O)(=O)NC(N)=NCCC[C@@H]2NC(=O)CNC(=O)[C@@H](CCCCNC(=O)c3ccc4c(c3)C(=O)c3ccccc3C4=O)NC(=O)[C@H](CCCN=C(N)NS(=O)(=O)c3c(C)c(C)c4c(c3C)CC(C)(C)O4)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC2=O)c(C)c2c1OC(C)(C)C2	Cc1c(C)c(S(=O)(=O)NC(N)=NCCCC2NC(=O)CNC(=O)C(CCCCNC(=O)c3ccc4c(c3)C(=O)c3ccccc3C4=O)NC(=O)C(CCCN=C(N)NS(=O)(=O)c3c(C)c(C)c4c(c3C)CC(C)(C)O4)NC(=O)C(CCC(=O)OC(C)(C)C)NC2=O)c(C)c2c1OC(C)(C)C2	YDXXJAXBAKBCPU-DPTQDJQGSA-N	.							
PDC_01314	"Glu-AQ 3 - 2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonamide conjugate 2"	16	19	"InChI=1S/C55H86N12O13S2/c1-29-31(3)45(33(5)35-26-54(10,11)79-43(29)35)81(74,75)66-51(57)59-24-16-19-38-48(71)65-40(21-22-42(69)78-53(7,8)9)50(73)64-39(49(72)63-37(18-14-15-23-56)47(70)61-28-41(68)62-38)20-17-25-60-52(58)67-82(76,77)46-32(4)30(2)44-36(34(46)6)27-55(12,13)80-44/h37-40H,14-28,56H2,1-13H3,(H,61,70)(H,62,68)(H,63,72)(H,64,73)(H,65,71)(H3,57,59,66)(H3,58,60,67)/t37-,38+,39+,40+/m1/s1"	Cc1c(C)c(S(=O)(=O)NC(N)=NCCC[C@@H]2NC(=O)CNC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCN=C(N)NS(=O)(=O)c3c(C)c(C)c4c(c3C)CC(C)(C)O4)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC2=O)c(C)c2c1OC(C)(C)C2	Cc1c(C)c(S(=O)(=O)NC(N)=NCCCC2NC(=O)CNC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)NS(=O)(=O)c3c(C)c(C)c4c(c3C)CC(C)(C)O4)NC(=O)C(CCC(=O)OC(C)(C)C)NC2=O)c(C)c2c1OC(C)(C)C2	RXMRLDNRKYDYTM-BSUMSBOOSA-N	.							
PDC_01315	"Glu-AQ 3 - 2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonamide conjugate 3"	17	20	"InChI=1S/C60H94N12O15S2/c1-32-34(3)48(36(5)38-29-59(13,14)85-46(32)38)88(80,81)71-54(61)63-27-19-22-41-51(76)70-43(24-25-45(74)84-57(7,8)9)53(78)69-42(52(77)68-40(50(75)66-31-44(73)67-41)21-17-18-26-65-56(79)87-58(10,11)12)23-20-28-64-55(62)72-89(82,83)49-35(4)33(2)47-39(37(49)6)30-60(15,16)86-47/h40-43H,17-31H2,1-16H3,(H,65,79)(H,66,75)(H,67,73)(H,68,77)(H,69,78)(H,70,76)(H3,61,63,71)(H3,62,64,72)/t40-,41+,42+,43+/m1/s1"	Cc1c(C)c(S(=O)(=O)NC(N)=NCCC[C@@H]2NC(=O)CNC(=O)[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H](CCCN=C(N)NS(=O)(=O)c3c(C)c(C)c4c(c3C)CC(C)(C)O4)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC2=O)c(C)c2c1OC(C)(C)C2	Cc1c(C)c(S(=O)(=O)NC(N)=NCCCC2NC(=O)CNC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(CCCN=C(N)NS(=O)(=O)c3c(C)c(C)c4c(c3C)CC(C)(C)O4)NC(=O)C(CCC(=O)OC(C)(C)C)NC2=O)c(C)c2c1OC(C)(C)C2	KQCZGKBNLOMYTJ-NCZZEDDZSA-N	.							
PDC_01316	"Glu-AQ 6 - 2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonamide conjugate"	18	29	"InChI=1S/C60H96N12O16S2/c1-32-34(3)48(36(5)38-29-59(13,14)86-46(32)38)89(81,82)71-54(62)64-27-19-22-40(67-44(73)31-61)50(75)69-42(24-25-45(74)85-57(7,8)9)52(77)68-41(51(76)70-43(53(78)79)21-17-18-26-66-56(80)88-58(10,11)12)23-20-28-65-55(63)72-90(83,84)49-35(4)33(2)47-39(37(49)6)30-60(15,16)87-47/h40-43H,17-31,61H2,1-16H3,(H,66,80)(H,67,73)(H,68,77)(H,69,75)(H,70,76)(H,78,79)(H3,62,64,71)(H3,63,65,72)/t40-,41-,42-,43+/m0/s1"	Cc1c(C)c(S(=O)(=O)NC(N)=NCCC[C@H](NC(=O)CN)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCN=C(N)NS(=O)(=O)c2c(C)c(C)c3c(c2C)CC(C)(C)O3)C(=O)N[C@H](CCCCNC(=O)OC(C)(C)C)C(=O)O)c(C)c2c1OC(C)(C)C2	Cc1c(C)c(S(=O)(=O)NC(N)=NCCCC(NC(=O)CN)C(=O)NC(CCC(=O)OC(C)(C)C)C(=O)NC(CCCN=C(N)NS(=O)(=O)c2c(C)c(C)c3c(c2C)CC(C)(C)O3)C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)O)c(C)c2c1OC(C)(C)C2	WMBLWFAOWHLHBG-VEGQPAGDSA-N	.							
PDC_01317	"Glu-AQ 1 - 2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonamide conjugate 1"	15	18	"InChI=1S/C53H84N12O12S2/c1-28-30(3)43(32(5)34-24-52(10,11)76-41(28)34)78(71,72)64-49(55)57-22-16-19-37-46(68)63-39(27-75-51(7,8)9)48(70)62-38(47(69)61-36(18-14-15-21-54)45(67)59-26-40(66)60-37)20-17-23-58-50(56)65-79(73,74)44-31(4)29(2)42-35(33(44)6)25-53(12,13)77-42/h36-39H,14-27,54H2,1-13H3,(H,59,67)(H,60,66)(H,61,69)(H,62,70)(H,63,68)(H3,55,57,64)(H3,56,58,65)/t36-,37+,38+,39+/m1/s1"	Cc1c(C)c(S(=O)(=O)NC(N)=NCCC[C@@H]2NC(=O)CNC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCN=C(N)NS(=O)(=O)c3c(C)c(C)c4c(c3C)CC(C)(C)O4)NC(=O)[C@H](COC(C)(C)C)NC2=O)c(C)c2c1OC(C)(C)C2	Cc1c(C)c(S(=O)(=O)NC(N)=NCCCC2NC(=O)CNC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)NS(=O)(=O)c3c(C)c(C)c4c(c3C)CC(C)(C)O4)NC(=O)C(COC(C)(C)C)NC2=O)c(C)c2c1OC(C)(C)C2	PGGVHSVHLMAPTD-QRIZJJBVSA-N	.							
PDC_01318	"Glu-AQ 1 - 2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonamide conjugate"	16	19	"InChI=1S/C58H92N12O14S2/c1-31-33(3)46(35(5)37-27-57(13,14)82-44(31)37)85(77,78)69-52(59)61-25-19-22-40-49(73)68-42(30-81-55(7,8)9)51(75)67-41(50(74)66-39(48(72)64-29-43(71)65-40)21-17-18-24-63-54(76)84-56(10,11)12)23-20-26-62-53(60)70-86(79,80)47-34(4)32(2)45-38(36(47)6)28-58(15,16)83-45/h39-42H,17-30H2,1-16H3,(H,63,76)(H,64,72)(H,65,71)(H,66,74)(H,67,75)(H,68,73)(H3,59,61,69)(H3,60,62,70)/t39-,40+,41+,42+/m1/s1"	Cc1c(C)c(S(=O)(=O)NC(N)=NCCC[C@@H]2NC(=O)CNC(=O)[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H](CCCN=C(N)NS(=O)(=O)c3c(C)c(C)c4c(c3C)CC(C)(C)O4)NC(=O)[C@H](COC(C)(C)C)NC2=O)c(C)c2c1OC(C)(C)C2	Cc1c(C)c(S(=O)(=O)NC(N)=NCCCC2NC(=O)CNC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(CCCN=C(N)NS(=O)(=O)c3c(C)c(C)c4c(c3C)CC(C)(C)O4)NC(=O)C(COC(C)(C)C)NC2=O)c(C)c2c1OC(C)(C)C2	CNVCRSVENHBZRX-IYHZCDIESA-N	.							
PDC_01319	"Glu-AQ 7 - 2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonamide conjugate"	17	28	"InChI=1S/C58H94N12O15S2/c1-31-33(3)46(35(5)37-27-57(13,14)83-44(31)37)86(78,79)69-52(60)62-25-19-22-39(65-43(71)29-59)48(72)68-42(30-82-55(7,8)9)50(74)66-40(49(73)67-41(51(75)76)21-17-18-24-64-54(77)85-56(10,11)12)23-20-26-63-53(61)70-87(80,81)47-34(4)32(2)45-38(36(47)6)28-58(15,16)84-45/h39-42H,17-30,59H2,1-16H3,(H,64,77)(H,65,71)(H,66,74)(H,67,73)(H,68,72)(H,75,76)(H3,60,62,69)(H3,61,63,70)/t39-,40-,41+,42-/m0/s1"	Cc1c(C)c(S(=O)(=O)NC(N)=NCCC[C@H](NC(=O)CN)C(=O)N[C@@H](COC(C)(C)C)C(=O)N[C@@H](CCCN=C(N)NS(=O)(=O)c2c(C)c(C)c3c(c2C)CC(C)(C)O3)C(=O)N[C@H](CCCCNC(=O)OC(C)(C)C)C(=O)O)c(C)c2c1OC(C)(C)C2	Cc1c(C)c(S(=O)(=O)NC(N)=NCCCC(NC(=O)CN)C(=O)NC(COC(C)(C)C)C(=O)NC(CCCN=C(N)NS(=O)(=O)c2c(C)c(C)c3c(c2C)CC(C)(C)O3)C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)O)c(C)c2c1OC(C)(C)C2	JFZAMVYCHXOGIY-GFUJKPJOSA-N	.							
PDC_01320	Dipeptide 30 - N-Norgalanthamine conjugate	6	7	"InChI=1S/C30H35Cl2N3O5/c1-16(2)26(34-28(37)17(3)33-19-6-7-21(31)22(32)13-19)29(38)35-12-11-30-10-9-20(36)14-24(30)40-27-23(39-4)8-5-18(15-35)25(27)30/h5-10,13,16-17,20,24,26,33,36H,11-12,14-15H2,1-4H3,(H,34,37)/t17?,20-,24-,26-,30-/m0/s1"	COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C(=O)[C@@H](NC(=O)C(C)Nc1ccc(Cl)c(Cl)c1)C(C)C)C2	COc1ccc2c3c1OC1CC(O)C=CC31CCN(C(=O)C(NC(=O)C(C)Nc1ccc(Cl)c(Cl)c1)C(C)C)C2	RCLWYZGAAWDPHN-UXSIKIFBSA-N	.							
PDC_01321	Dipeptide 31 - N-Norgalanthamine conjugate	6	8	"InChI=1S/C34H35Cl2N3O5/c1-20(37-23-9-10-25(35)26(36)17-23)32(41)38-27(16-21-6-4-3-5-7-21)33(42)39-15-14-34-13-12-24(40)18-29(34)44-31-28(43-2)11-8-22(19-39)30(31)34/h3-13,17,20,24,27,29,37,40H,14-16,18-19H2,1-2H3,(H,38,41)/t20?,24-,27-,29-,34-/m0/s1"	COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C(=O)[C@H](Cc1ccccc1)NC(=O)C(C)Nc1ccc(Cl)c(Cl)c1)C2	COc1ccc2c3c1OC1CC(O)C=CC31CCN(C(=O)C(Cc1ccccc1)NC(=O)C(C)Nc1ccc(Cl)c(Cl)c1)C2	UNIKGGIQHZNXHC-YLSPKMTOSA-N	.							
PDC_01322	Tripeptide 65 - N-Norgalanthamine conjugate	8	11	"InChI=1S/C34H42Cl2N4O6/c1-19(2)14-26(39-32(42)20(3)38-22-7-8-24(35)25(36)15-22)33(43)37-17-29(41)45-23-10-11-34-12-13-40(4)18-21-6-9-27(44-5)31(30(21)34)46-28(34)16-23/h6-11,15,19-20,23,26,28,38H,12-14,16-18H2,1-5H3,(H,37,43)(H,39,42)/t20?,23-,26-,28-,34-/m0/s1"	COc1ccc2c3c1O[C@H]1C[C@@H](OC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)C(C)Nc4ccc(Cl)c(Cl)c4)C=C[C@@]31CCN(C)C2	COc1ccc2c3c1OC1CC(OC(=O)CNC(=O)C(CC(C)C)NC(=O)C(C)Nc4ccc(Cl)c(Cl)c4)C=CC31CCN(C)C2	UJOGDNCJXORVPW-DRNTVJHBSA-N	.							
PDC_01323	Tripeptide 66 - N-Norgalanthamine conjugate	8	10	"InChI=1S/C33H40Cl2N4O6/c1-18(2)29(38-31(41)19(3)37-21-7-8-23(34)24(35)14-21)32(42)36-16-27(40)44-22-10-11-33-12-13-39(4)17-20-6-9-25(43-5)30(28(20)33)45-26(33)15-22/h6-11,14,18-19,22,26,29,37H,12-13,15-17H2,1-5H3,(H,36,42)(H,38,41)/t19?,22-,26-,29-,33-/m0/s1"	COc1ccc2c3c1O[C@H]1C[C@@H](OC(=O)CNC(=O)[C@@H](NC(=O)C(C)Nc4ccc(Cl)c(Cl)c4)C(C)C)C=C[C@@]31CCN(C)C2	COc1ccc2c3c1OC1CC(OC(=O)CNC(=O)C(NC(=O)C(C)Nc4ccc(Cl)c(Cl)c4)C(C)C)C=CC31CCN(C)C2	PCWUTCRYCFBMKO-CJXIELITSA-N	.							
PDC_01324	Tripeptide 67 - N-Norgalanthamine conjugate	8	11	"InChI=1S/C37H40Cl2N4O6/c1-22(41-25-10-11-27(38)28(39)18-25)35(45)42-29(17-23-7-5-4-6-8-23)36(46)40-20-32(44)48-26-13-14-37-15-16-43(2)21-24-9-12-30(47-3)34(33(24)37)49-31(37)19-26/h4-14,18,22,26,29,31,41H,15-17,19-21H2,1-3H3,(H,40,46)(H,42,45)/t22?,26-,29-,31-,37-/m0/s1"	COc1ccc2c3c1O[C@H]1C[C@@H](OC(=O)CNC(=O)[C@H](Cc4ccccc4)NC(=O)C(C)Nc4ccc(Cl)c(Cl)c4)C=C[C@@]31CCN(C)C2	COc1ccc2c3c1OC1CC(OC(=O)CNC(=O)C(Cc4ccccc4)NC(=O)C(C)Nc4ccc(Cl)c(Cl)c4)C=CC31CCN(C)C2	KPGKITPLDSQLML-AIZYXFNUSA-N	.							
PDC_01325	Dipeptide 32 - N-Norgalanthamine conjugate	7	7	"InChI=1S/C28H31Cl2N3O5/c1-16(32-18-5-6-20(29)21(30)12-18)27(35)31-14-24(34)37-19-8-9-28-10-11-33(2)15-17-4-7-22(36-3)26(25(17)28)38-23(28)13-19/h4-9,12,16,19,23,32H,10-11,13-15H2,1-3H3,(H,31,35)/t16?,19-,23-,28-/m0/s1"	COc1ccc2c3c1O[C@H]1C[C@@H](OC(=O)CNC(=O)C(C)Nc4ccc(Cl)c(Cl)c4)C=C[C@@]31CCN(C)C2	COc1ccc2c3c1OC1CC(OC(=O)CNC(=O)C(C)Nc4ccc(Cl)c(Cl)c4)C=CC31CCN(C)C2	OTEIMDWQSNAATC-MSWTWEBSSA-N	.							
PDC_01326	Dipeptide 33 - N-Norgalanthamine conjugate	7	4	"InChI=1S/C24H32N2O6/c1-23(2,3)32-22(28)25-13-19(27)30-16-8-9-24-10-11-26(4)14-15-6-7-17(29-5)21(20(15)24)31-18(24)12-16/h6-9,16,18H,10-14H2,1-5H3,(H,25,28)/t16-,18-,24-/m0/s1"	COc1ccc2c3c1O[C@H]1C[C@@H](OC(=O)CNC(=O)OC(C)(C)C)C=C[C@@]31CCN(C)C2	COc1ccc2c3c1OC1CC(OC(=O)CNC(=O)OC(C)(C)C)C=CC31CCN(C)C2	GCVXOCHKVIUBHL-KEWLPNKHSA-N	.							
PDC_01327	"SFFYLRS - 1,3-Diazido-2,4,5-trifluoro-6-nitrobenzene conjugate"	16	32	"InChI=1S/C51H62F3N15O13/c1-26(2)20-32(45(74)59-31(14-9-19-58-51(55)56)44(73)64-37(25-71)50(79)80)60-46(75)35(23-29-15-17-30(72)18-16-29)62-47(76)33(21-27-10-5-3-6-11-27)61-48(77)34(22-28-12-7-4-8-13-28)63-49(78)36(24-70)65-66-42-40(54)41(67-68-57)38(52)39(53)43(42)69(81)82/h3-8,10-13,15-18,26,31-37,65-66,70-72H,9,14,19-25H2,1-2H3,(H,59,74)(H,60,75)(H,61,77)(H,62,76)(H,63,78)(H,64,73)(H,79,80)(H4,55,56,58)/t31-,32-,33-,34-,35-,36-,37-/m0/s1"	CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NNc1c(F)c([N-][N+]#N)c(F)c(F)c1[N+](=O)[O-])C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)O	CC(C)CC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C(CO)NNc1c(F)c([N-][N+]#N)c(F)c(F)c1[N+](=O)[O-])C(=O)NC(CCCNC(=N)N)C(=O)NC(CO)C(=O)O	GNGCEEDNLAMHHE-PEAOEFARSA-N	.							
PDC_01328	"Octarginin 1 - (8S,10S)-10-[(3-amino-2,3,6-trideoxy-&alpha;-L-lyxo-hexopyranosyl)oxy]-8-(1-hydrazonoethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-Naphthacenedione conjugate"	30	57	"InChI=1S/C80H135N37O19/c1-36-58(119)41(82)33-53(135-36)136-51-35-80(133,34-39-55(51)62(123)57-56(60(39)121)59(120)38-13-4-22-50(134-3)54(38)61(57)122)37(2)116-117-64(125)40(81)23-24-52(118)108-43(15-6-26-101-73(86)87)65(126)110-45(17-8-28-103-75(90)91)67(128)112-47(19-10-30-105-77(94)95)69(130)114-49(21-12-32-107-79(98)99)71(132)115-48(20-11-31-106-78(96)97)70(131)113-46(18-9-29-104-76(92)93)68(129)111-44(16-7-27-102-74(88)89)66(127)109-42(63(83)124)14-5-25-100-72(84)85/h4,13,22,36,40-49,51,53,58,119,121,123,133H,5-12,14-21,23-35,81-82H2,1-3H3,(H2,83,124)(H,108,118)(H,109,127)(H,110,126)(H,111,129)(H,112,128)(H,113,131)(H,114,130)(H,115,132)(H,117,125)(H4,84,85,100)(H4,86,87,101)(H4,88,89,102)(H4,90,91,103)(H4,92,93,104)(H4,94,95,105)(H4,96,97,106)(H4,98,99,107)/t36-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,51-,53-,58+,80-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=NNC(=O)[C@@H](N)CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=NNC(=O)C(N)CCC(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(N)=O)CC3OC1CC(N)C(O)C(C)O1	GOZMXACJYDJKIH-CEOJWSOLSA-N	.							
PDC_01329	"Hexarginin 1 - (8S,10S)-10-[(3-amino-2,3,6-trideoxy-&alpha;-L-lyxo-hexopyranosyl)oxy]-8-(1-hydrazonoethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-Naphthacenedione conjugate"	26	45	"InChI=1S/C68H111N29O17/c1-30-50(99)35(70)27-45(113-30)114-43-29-68(111,28-33-47(43)54(103)49-48(52(33)101)51(100)32-11-4-18-42(112-3)46(32)53(49)102)31(2)96-97-56(105)34(69)19-20-44(98)90-37(13-6-22-85-63(74)75)57(106)92-39(15-8-24-87-65(78)79)59(108)94-41(17-10-26-89-67(82)83)61(110)95-40(16-9-25-88-66(80)81)60(109)93-38(14-7-23-86-64(76)77)58(107)91-36(55(71)104)12-5-21-84-62(72)73/h4,11,18,30,34-41,43,45,50,99,101,103,111H,5-10,12-17,19-29,69-70H2,1-3H3,(H2,71,104)(H,90,98)(H,91,107)(H,92,106)(H,93,109)(H,94,108)(H,95,110)(H,97,105)(H4,72,73,84)(H4,74,75,85)(H4,76,77,86)(H4,78,79,87)(H4,80,81,88)(H4,82,83,89)/t30-,34-,35-,36-,37-,38-,39-,40-,41-,43-,45-,50+,68-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=NNC(=O)[C@@H](N)CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=NNC(=O)C(N)CCC(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(N)=O)CC3OC1CC(N)C(O)C(C)O1	FKAHGZJFFHJWCC-BYLSLLCYSA-N	.							
PDC_01330	"Octarginin 2 - (8S,10S)-10-[(3-amino-2,3,6-trideoxy-&alpha;-L-lyxo-hexopyranosyl)oxy]-8-(1-hydrazonoethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-Naphthacenedione conjugate 1"	29	55	"InChI=1S/C77H129N35O19/c1-35-56(114)39(78)31-51(130-35)131-49-33-77(127,32-38-53(49)60(118)55-54(58(38)116)57(115)37-13-4-22-48(128-3)52(37)59(55)117)36(2)112-129-34-50(113)104-41(15-6-24-97-70(82)83)62(120)106-43(17-8-26-99-72(86)87)64(122)108-45(19-10-28-101-74(90)91)66(124)110-47(21-12-30-103-76(94)95)68(126)111-46(20-11-29-102-75(92)93)67(125)109-44(18-9-27-100-73(88)89)65(123)107-42(16-7-25-98-71(84)85)63(121)105-40(61(79)119)14-5-23-96-69(80)81/h4,13,22,35,39-47,49,51,56,114,116,118,127H,5-12,14-21,23-34,78H2,1-3H3,(H2,79,119)(H,104,113)(H,105,121)(H,106,120)(H,107,123)(H,108,122)(H,109,125)(H,110,124)(H,111,126)(H4,80,81,96)(H4,82,83,97)(H4,84,85,98)(H4,86,87,99)(H4,88,89,100)(H4,90,91,101)(H4,92,93,102)(H4,94,95,103)/t35-,39-,40-,41-,42-,43-,44-,45-,46-,47-,49-,51-,56+,77-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=NOCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=NOCC(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(N)=O)CC3OC1CC(N)C(O)C(C)O1	TWIMYQXOOLNTBX-RPBGWAILSA-N	.							
PDC_01331	"Hexarginin 2 - (8S,10S)-10-[(3-amino-2,3,6-trideoxy-&alpha;-L-lyxo-hexopyranosyl)oxy]-8-(1-hydrazonoethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-Naphthacenedione conjugate 1"	25	43	"InChI=1S/C65H105N27O17/c1-29-48(94)33(66)25-43(108-29)109-41-27-65(105,26-32-45(41)52(98)47-46(50(32)96)49(95)31-11-4-18-40(106-3)44(31)51(47)97)30(2)92-107-28-42(93)86-35(13-6-20-81-60(70)71)54(100)88-37(15-8-22-83-62(74)75)56(102)90-39(17-10-24-85-64(78)79)58(104)91-38(16-9-23-84-63(76)77)57(103)89-36(14-7-21-82-61(72)73)55(101)87-34(53(67)99)12-5-19-80-59(68)69/h4,11,18,29,33-39,41,43,48,94,96,98,105H,5-10,12-17,19-28,66H2,1-3H3,(H2,67,99)(H,86,93)(H,87,101)(H,88,100)(H,89,103)(H,90,102)(H,91,104)(H4,68,69,80)(H4,70,71,81)(H4,72,73,82)(H4,74,75,83)(H4,76,77,84)(H4,78,79,85)/t29-,33-,34-,35-,36-,37-,38-,39-,41-,43-,48+,65-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=NOCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=NOCC(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(N)=O)CC3OC1CC(N)C(O)C(C)O1	PZWKKKBEKIFZJD-XFDIIQARSA-N	.							
PDC_01332	"Octarginin 2 - (8S,10S)-10-[(3-amino-2,3,6-trideoxy-&alpha;-L-lyxo-hexopyranosyl)oxy]-8-(1-hydrazonoethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-Naphthacenedione conjugate 2"	30	55	"InChI=1S/C79H126N34O20/c1-34-56(115)46(31-49(132-34)133-48-33-79(130,35(2)114)32-37-51(48)60(119)53-52(58(37)117)57(116)36-13-4-22-47(131-3)50(36)59(53)118)106-55-54(61(120)62(55)121)105-39(15-6-24-98-72(83)84)64(123)108-41(17-8-26-100-74(87)88)66(125)110-43(19-10-28-102-76(91)92)68(127)112-45(21-12-30-104-78(95)96)70(129)113-44(20-11-29-103-77(93)94)69(128)111-42(18-9-27-101-75(89)90)67(126)109-40(16-7-25-99-73(85)86)65(124)107-38(63(80)122)14-5-23-97-71(81)82/h4,13,22,34,38-46,48-49,56,105-106,115,117,119,130H,5-12,14-21,23-33H2,1-3H3,(H2,80,122)(H,107,124)(H,108,123)(H,109,126)(H,110,125)(H,111,128)(H,112,127)(H,113,129)(H4,81,82,97)(H4,83,84,98)(H4,85,86,99)(H4,87,88,100)(H4,89,90,101)(H4,91,92,102)(H4,93,94,103)(H4,95,96,104)/t34-,38-,39-,40-,41-,42-,43-,44-,45-,46-,48-,49-,56+,79-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](Nc2c(N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)c(=O)c2=O)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(Nc2c(NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(N)=O)c(=O)c2=O)C(O)C(C)O1	RJGPGHDWZXACMH-ZCFQWAHYSA-N	.							
PDC_01333	"Hexarginin 2 - (8S,10S)-10-[(3-amino-2,3,6-trideoxy-&alpha;-L-lyxo-hexopyranosyl)oxy]-8-(1-hydrazonoethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-Naphthacenedione conjugate"	26	43	"InChI=1S/C67H102N26O18/c1-28-48(95)38(25-41(110-28)111-40-27-67(108,29(2)94)26-31-43(40)52(99)45-44(50(31)97)49(96)30-11-4-18-39(109-3)42(30)51(45)98)88-47-46(53(100)54(47)101)87-33(13-6-20-82-62(71)72)56(103)90-35(15-8-22-84-64(75)76)58(105)92-37(17-10-24-86-66(79)80)60(107)93-36(16-9-23-85-65(77)78)59(106)91-34(14-7-21-83-63(73)74)57(104)89-32(55(68)102)12-5-19-81-61(69)70/h4,11,18,28,32-38,40-41,48,87-88,95,97,99,108H,5-10,12-17,19-27H2,1-3H3,(H2,68,102)(H,89,104)(H,90,103)(H,91,106)(H,92,105)(H,93,107)(H4,69,70,81)(H4,71,72,82)(H4,73,74,83)(H4,75,76,84)(H4,77,78,85)(H4,79,80,86)/t28-,32-,33-,34-,35-,36-,37-,38-,40-,41-,48+,67-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](Nc2c(N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)c(=O)c2=O)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(Nc2c(NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(N)=O)c(=O)c2=O)C(O)C(C)O1	QNKWGAGYCSJJSF-ZHIZGEOPSA-N	.							
PDC_01334	"GGGPKKKRKVGG - (T-4)-[4-[(3,5-dimethyl-1H-pyrrol-2-yl-&kappa;N)(3,5-dimethyl-2H-pyrrol-2-ylidene-&kappa;N)methyl]phenolato]difluoro-boron conjugate"	.	.	.	.	.	.	.							
PDC_01335	"GGGPKKKXKVGG - (T-4)-[4-[(3,5-dimethyl-1H-pyrrol-2-yl-&kappa;N)(3,5-dimethyl-2H-pyrrol-2-ylidene-&kappa;N)methyl]phenolato]difluoro-boron conjugate"	.	.	.	.	.	.	.							
PDC_01336	"GGGPKKKRKVGG - 2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonic acid conjugate"	25	53	"InChI=1S/C89H148N20O24S/c1-21-22-23-40-65(111)98-49-66(112)99-50-67(113)100-52-69(115)109-46-33-39-63(109)78(121)106-60(36-26-30-43-95-83(125)132-87(13,14)15)75(118)103-58(34-24-28-41-93-81(123)130-85(7,8)9)73(116)102-59(35-25-29-42-94-82(124)131-86(10,11)12)74(117)105-62(38-32-45-92-80(91)108-134(127,128)72-55(5)54(4)71-57(56(72)6)47-89(19,20)129-71)76(119)104-61(37-27-31-44-96-84(126)133-88(16,17)18)77(120)107-70(53(2)3)79(122)101-51-68(114)97-48-64(90)110/h1,53,58-63,70H,22-52H2,2-20H3,(H2,90,110)(H,93,123)(H,94,124)(H,95,125)(H,96,126)(H,97,114)(H,98,111)(H,99,112)(H,100,113)(H,101,122)(H,102,116)(H,103,118)(H,104,119)(H,105,117)(H,106,121)(H,107,120)(H3,91,92,108)/t58-,59-,60-,61-,62-,63-,70-/m0/s1"	C#CCCCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)NCC(=O)NCC(N)=O)C(C)C	C#CCCCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCCC1C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)NC(CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)NC(C(=O)NCC(=O)NCC(N)=O)C(C)C	GBPDLUCWWQEYIK-FGCSMSQJSA-N	.							
PDC_01337	"GGGPKKKXKVGG - 2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonic acid conjugate 1"	33	69	"InChI=1S/C124H183N27O26S/c1-79(2)104(113(165)136-75-102(157)132-72-97(125)152)142-111(163)93(55-36-40-67-131-118(169)176-122(15,16)17)139-110(162)94(56-43-68-127-114(126)146-178(170,171)106-81(4)80(3)105-89(82(106)5)71-123(18,19)172-105)140-108(160)91(53-34-38-65-129-116(167)174-120(9,10)11)137-107(159)90(52-33-37-64-128-115(166)173-119(6,7)8)138-109(161)92(54-35-39-66-130-117(168)175-121(12,13)14)141-112(164)96-57-44-70-150(96)103(158)76-135-101(156)74-134-100(155)73-133-98(153)59-42-51-87-77-151(148-143-87)88-62-60-83(61-63-88)95-78-149(147-144-95)69-41-22-20-21-32-58-99(154)145-177-124(84-45-26-23-27-46-84,85-47-28-24-29-48-85)86-49-30-25-31-50-86/h23-31,45-50,60-63,77-79,90-94,96,104H,20-22,32-44,51-59,64-76H2,1-19H3,(H2,125,152)(H,128,166)(H,129,167)(H,130,168)(H,131,169)(H,132,157)(H,133,153)(H,134,155)(H,135,156)(H,136,165)(H,137,159)(H,138,161)(H,139,162)(H,140,160)(H,141,164)(H,142,163)(H,145,154)(H3,126,127,146)/t90-,91-,92-,93-,94-,96-,104-/m0/s1"	Cc1c(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)CNC(=O)CNC(=O)CCCc2cn(-c3ccc(-c4cn(CCCCCCCC(=O)NOC(c5ccccc5)(c5ccccc5)c5ccccc5)nn4)cc3)nn2)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)NCC(=O)NCC(N)=O)C(C)C)c(C)c2c1OC(C)(C)C2	Cc1c(C)c(S(=O)(=O)NC(=N)NCCCC(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C2CCCN2C(=O)CNC(=O)CNC(=O)CNC(=O)CCCc2cn(-c3ccc(-c4cn(CCCCCCCC(=O)NOC(c5ccccc5)(c5ccccc5)c5ccccc5)nn4)cc3)nn2)C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)NC(C(=O)NCC(=O)NCC(N)=O)C(C)C)c(C)c2c1OC(C)(C)C2	VMJXJMLMOGFFSS-PADOMFKYSA-N	.							
PDC_01338	"GGGPKKKXKVGG - 2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonic acid conjugate 2"	33	68	"InChI=1S/C123H181N27O26S/c1-78(2)103(112(164)135-74-101(156)131-71-96(124)151)141-110(162)92(54-35-39-66-130-117(168)175-121(15,16)17)138-109(161)93(55-42-67-126-113(125)145-177(169,170)105-80(4)79(3)104-88(81(105)5)70-122(18,19)171-104)139-107(159)90(52-33-37-64-128-115(166)173-119(9,10)11)136-106(158)89(51-32-36-63-127-114(165)172-118(6,7)8)137-108(160)91(53-34-38-65-129-116(167)174-120(12,13)14)140-111(163)95-56-43-69-149(95)102(157)75-134-100(155)73-133-99(154)72-132-97(152)58-41-50-86-76-150(147-142-86)87-61-59-82(60-62-87)94-77-148(146-143-94)68-40-21-20-31-57-98(153)144-176-123(83-44-25-22-26-45-83,84-46-27-23-28-47-84)85-48-29-24-30-49-85/h22-30,44-49,59-62,76-78,89-93,95,103H,20-21,31-43,50-58,63-75H2,1-19H3,(H2,124,151)(H,127,165)(H,128,166)(H,129,167)(H,130,168)(H,131,156)(H,132,152)(H,133,154)(H,134,155)(H,135,164)(H,136,158)(H,137,160)(H,138,161)(H,139,159)(H,140,163)(H,141,162)(H,144,153)(H3,125,126,145)/t89-,90-,91-,92-,93-,95-,103-/m0/s1"	Cc1c(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)CNC(=O)CNC(=O)CCCc2cn(-c3ccc(-c4cn(CCCCCCC(=O)NOC(c5ccccc5)(c5ccccc5)c5ccccc5)nn4)cc3)nn2)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)NCC(=O)NCC(N)=O)C(C)C)c(C)c2c1OC(C)(C)C2	Cc1c(C)c(S(=O)(=O)NC(=N)NCCCC(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C2CCCN2C(=O)CNC(=O)CNC(=O)CNC(=O)CCCc2cn(-c3ccc(-c4cn(CCCCCCC(=O)NOC(c5ccccc5)(c5ccccc5)c5ccccc5)nn4)cc3)nn2)C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)NC(C(=O)NCC(=O)NCC(N)=O)C(C)C)c(C)c2c1OC(C)(C)C2	RUCJKJNGBWAXLB-BMVLLWHZSA-N	.							
PDC_01339	"GGGPKKKXKVGG - 2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonic acid conjugate"	33	67	"InChI=1S/C122H179N27O26S/c1-77(2)102(111(163)134-73-100(155)130-70-95(123)150)140-109(161)91(53-34-38-65-129-116(167)174-120(15,16)17)137-108(160)92(54-41-66-125-112(124)144-176(168,169)104-79(4)78(3)103-87(80(104)5)69-121(18,19)170-103)138-106(158)89(51-32-36-63-127-114(165)172-118(9,10)11)135-105(157)88(50-31-35-62-126-113(164)171-117(6,7)8)136-107(159)90(52-33-37-64-128-115(166)173-119(12,13)14)139-110(162)94-55-42-68-148(94)101(156)74-133-99(154)72-132-98(153)71-131-96(151)57-40-49-85-75-149(146-141-85)86-60-58-81(59-61-86)93-76-147(145-142-93)67-39-23-30-56-97(152)143-175-122(82-43-24-20-25-44-82,83-45-26-21-27-46-83)84-47-28-22-29-48-84/h20-22,24-29,43-48,58-61,75-77,88-92,94,102H,23,30-42,49-57,62-74H2,1-19H3,(H2,123,150)(H,126,164)(H,127,165)(H,128,166)(H,129,167)(H,130,155)(H,131,151)(H,132,153)(H,133,154)(H,134,163)(H,135,157)(H,136,159)(H,137,160)(H,138,158)(H,139,162)(H,140,161)(H,143,152)(H3,124,125,144)/t88-,89-,90-,91-,92-,94-,102-/m0/s1"	Cc1c(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)CNC(=O)CNC(=O)CCCc2cn(-c3ccc(-c4cn(CCCCCC(=O)NOC(c5ccccc5)(c5ccccc5)c5ccccc5)nn4)cc3)nn2)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)NCC(=O)NCC(N)=O)C(C)C)c(C)c2c1OC(C)(C)C2	Cc1c(C)c(S(=O)(=O)NC(=N)NCCCC(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C2CCCN2C(=O)CNC(=O)CNC(=O)CNC(=O)CCCc2cn(-c3ccc(-c4cn(CCCCCC(=O)NOC(c5ccccc5)(c5ccccc5)c5ccccc5)nn4)cc3)nn2)C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)NC(C(=O)NCC(=O)NCC(N)=O)C(C)C)c(C)c2c1OC(C)(C)C2	OIAGMAMDMYRYGM-MAFFUYBVSA-N	.							
PDC_01340	KTTKS - L-Ascorbic acid conjugate 1	19	29	"InChI=1S/C33H56N7O20P/c1-15(42)23(30(50)37-18(8-4-6-12-35)28(48)38-19(13-41)32(52)53)40-31(51)24(16(2)43)39-29(49)17(7-3-5-11-34)36-21(45)9-10-22(46)58-14-20(44)26-25(47)27(33(54)59-26)60-61(55,56)57/h15-20,23-24,26-27,41-44H,3-14,34-35H2,1-2H3,(H,36,45)(H,37,50)(H,38,48)(H,39,49)(H,40,51)(H,52,53)(H2,55,56,57)/t15-,16-,17+,18+,19+,20?,23+,24+,26-,27?/m1/s1"	C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)CCC(=O)OCC(O)[C@H]1OC(=O)C(OP(=O)(O)O)C1=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O	CC(O)C(NC(=O)C(CCCCN)NC(=O)CCC(=O)OCC(O)C1OC(=O)C(OP(=O)(O)O)C1=O)C(=O)NC(C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)O)C(C)O	ZEBPJWIZHOLPSR-RKBREQLKSA-N	.							
PDC_01341	"CNGRC - Pplatinum-(SP-4-2)-(1,2-Ethanediamine-&kappa;N1,&kappa;N2)[propanedioato(2-)-&kappa;O1,&kappa;O3] conjugate"	25	43	.	N=C(N)NCCCC1NC(=O)CNC(=O)C(CC(N)=O)NC(=O)C(NC(=O)COCCOCCOCCNC(=O)CCCC(=O)NCCCC2C(=O)[O-]->[Pt+2]3(<-NCCN->3)<-[O-]C2=O)CSSCC(C(=O)NCCOCCOCCOCC(N)=O)NC1=O	N=C(N)NCCCC1NC(=O)CNC(=O)C(CC(N)=O)NC(=O)C(NC(=O)COCCOCCOCCNC(=O)CCCC(=O)NCCCC2C(=O)[O-]->[Pt+2]3(<-NCCN->3)<-[O-]C2=O)CSSCC(C(=O)NCCOCCOCCOCC(N)=O)NC1=O	.	.							
PDC_01342	"CNGRC - Platinum-(SP-4-2)-[2-(3-aminopropyl)propanedioato(2-)-&kappa;O1,&kappa;O3]diammine conjugate"	25	40	.	N=C(N)NCCCC1NC(=O)CNC(=O)C(CC(N)=O)NC(=O)C(NC(=O)COCCOCCOCCNC(=O)CCCC(=O)NCCCC2C(=O)[O-]->[Pt+2](<-N)(<-N)<-[O-]C2=O)CSSCC(C(=O)NCCOCCOCCOCC(N)=O)NC1=O	N=C(N)NCCCC1NC(=O)CNC(=O)C(CC(N)=O)NC(=O)C(NC(=O)COCCOCCOCCNC(=O)CCCC(=O)NCCCC2C(=O)[O-]->[Pt+2](<-N)(<-N)<-[O-]C2=O)CSSCC(C(=O)NCCOCCOCCOCC(N)=O)NC1=O	.	.							
PDC_01343	"QACKGKIQALCENG - Carbamic acid, N-[(3&alpha;,5&beta;,7&alpha;,12&alpha;)-7-(acetyloxy)-3,24-diamino-24-oxocholan-12-yl]-, 1,1-dimethylethyl ester conjugate 1"	30	42	"InChI=1S/C160H212N22O28S2/c1-20-98(4)138-150(204)173-120(76-80-132(188)181-159(106-58-36-24-37-59-106,107-60-38-25-39-61-107)108-62-40-26-41-63-108)144(198)167-100(6)139(193)174-122(88-97(2)3)147(201)177-125-96-212-211-95-124(148(202)171-117(70-48-50-86-162-151(205)209-154(12,13)14)141(195)164-93-134(190)170-118(146(200)179-138)71-49-51-87-163-152(206)210-155(15,16)17)176-140(194)101(7)166-143(197)119(75-79-131(187)180-158(103-52-30-21-31-53-103,104-54-32-22-33-55-104)105-56-34-23-35-57-105)169-130(186)82-81-129(185)168-113-84-85-156(18)112(89-113)90-126(207-102(8)183)137-115-74-73-114(99(5)72-78-128(161)184)157(115,19)127(91-116(137)156)178-135(191)94-165-142(196)123(175-145(199)121(172-149(125)203)77-83-136(192)208-153(9,10)11)92-133(189)182-160(109-64-42-27-43-65-109,110-66-44-28-45-67-110)111-68-46-29-47-69-111/h21-47,52-69,97-101,112-127,137-138H,20,48-51,70-96H2,1-19H3,(H2,161,184)(H,162,205)(H,163,206)(H,164,195)(H,165,196)(H,166,197)(H,167,198)(H,168,185)(H,169,186)(H,170,190)(H,171,202)(H,172,203)(H,173,204)(H,174,193)(H,175,199)(H,176,194)(H,177,201)(H,178,191)(H,179,200)(H,180,187)(H,181,188)(H,182,189)/t98-,99+,100-,101-,112-,113+,114+,115-,116-,117-,118-,119-,120-,121-,122-,123-,124+,125-,126+,127-,137-,138-,156-,157+/m0/s1"	CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)CNC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H]2CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)NC1=O)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NCC(=O)N[C@H]1C[C@H]3[C@@H]([C@H](OC(C)=O)C[C@@H]4C[C@@H](CC[C@@]43C)NC(=O)CCC(=O)N[C@@H](CCC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)C(=O)N[C@@H](C)C(=O)N2)[C@@H]2CC[C@H]([C@H](C)CCC(N)=O)[C@@]12C	CCC(C)C1NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)CNC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C2CSSCC(NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CCC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)NC1=O)C(=O)NC(CCC(=O)OC(C)(C)C)C(=O)NC(CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NCC(=O)NC1CC3C(C(OC(C)=O)CC4CC(CCC43C)NC(=O)CCC(=O)NC(CCC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)C(=O)NC(C)C(=O)N2)C2CCC(C(C)CCC(N)=O)C12C	IKMASPQXSTUNBE-LHLNFGGHSA-N	.							
PDC_01344	"QACKGKIQALCENG - Carbamic acid, N-[(3&alpha;,5&beta;,7&alpha;,12&alpha;)-7-(acetyloxy)-3,24-diamino-24-oxocholan-12-yl]-, 1,1-dimethylethyl ester conjugate 2"	32	61	"InChI=1S/C175H224N22O31S2/c1-20-107(4)152-164(220)187-133(83-87-144(201)195-173(112-56-30-21-31-57-112,113-58-32-22-33-59-113)114-60-34-23-35-61-114)157(213)181-109(6)153(209)188-136(96-106(2)3)161(217)191-139(163(219)186-134(85-91-150(208)226-168(9,10)11)159(215)189-137(100-146(203)197-175(118-68-42-27-43-69-118,119-70-44-28-45-71-119)120-72-46-29-47-73-120)156(212)180-102-148(205)193-141-99-130-151(129-82-81-128(172(129,141)19)108(5)80-86-142(176)199)140(225-111(8)198)98-121-97-122(92-93-171(121,130)18)183-143(200)89-90-149(206)207)105-230-229-104-138(162(218)185-131(78-52-54-94-177-165(221)227-169(12,13)14)155(211)179-101-147(204)184-132(160(216)194-152)79-53-55-95-178-166(222)228-170(15,16)17)190-154(210)110(7)182-158(214)135(192-167(223)224-103-127-125-76-50-48-74-123(125)124-75-49-51-77-126(124)127)84-88-145(202)196-174(115-62-36-24-37-63-115,116-64-38-25-39-65-116)117-66-40-26-41-67-117/h21-51,56-77,106-110,121-122,127-141,151-152H,20,52-55,78-105H2,1-19H3,(H2,176,199)(H,177,221)(H,178,222)(H,179,211)(H,180,212)(H,181,213)(H,182,214)(H,183,200)(H,184,204)(H,185,218)(H,186,219)(H,187,220)(H,188,209)(H,189,215)(H,190,210)(H,191,217)(H,192,223)(H,193,205)(H,194,216)(H,195,201)(H,196,202)(H,197,203)(H,206,207)/t107-,108+,109-,110-,121-,122+,128+,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140+,141-,151-,152-,171-,172+/m0/s1"	CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)CNC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)OCC2c3ccccc3-c3ccccc32)CSSC[C@@H](C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)NCC(=O)N[C@H]2C[C@H]3[C@@H]([C@H](OC(C)=O)C[C@@H]4C[C@H](NC(=O)CCC(=O)O)CC[C@@]43C)[C@@H]3CC[C@H]([C@H](C)CCC(N)=O)[C@@]23C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)NC1=O	CCC(C)C1NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)CNC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(NC(=O)C(C)NC(=O)C(CCC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)OCC2c3ccccc3-c3ccccc32)CSSCC(C(=O)NC(CCC(=O)OC(C)(C)C)C(=O)NC(CC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)NCC(=O)NC2CC3C(C(OC(C)=O)CC4CC(NC(=O)CCC(=O)O)CCC43C)C3CCC(C(C)CCC(N)=O)C23C)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CCC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)NC1=O	PTCPSSRISBWBLT-FYGMZQCTSA-N	.							
PDC_01345	"QACKGKIQALCENG - Carbamic acid, N-[(3&alpha;,5&beta;,7&alpha;,12&alpha;)-7-(acetyloxy)-3,24-diamino-24-oxocholan-12-yl]-, 1,1-dimethylethyl ester conjugate 3"	34	85	"InChI=1S/C181H236N24O33S2/c1-22-111(4)158(202-166(226)138(81-55-57-97-184-172(232)238-176(17,18)19)192-153(214)103-185-161(221)137(80-54-56-96-183-171(231)237-175(14,15)16)193-168(228)144(106-239-108-187-115(8)206)198-160(220)114(7)190-164(224)141(200-173(233)234-105-133-131-78-52-50-76-129(131)130-77-51-53-79-132(130)133)86-90-151(212)204-180(121-64-38-26-39-65-121,122-66-40-27-41-67-122)123-68-42-28-43-69-123)170(230)195-139(85-89-150(211)203-179(118-58-32-23-33-59-118,119-60-34-24-35-61-119)120-62-36-25-37-63-120)163(223)189-113(6)159(219)196-142(98-110(2)3)167(227)199-145(107-240-109-188-116(9)207)169(229)194-140(87-93-156(218)236-174(11,12)13)165(225)197-143(102-152(213)205-181(124-70-44-29-45-71-124,125-72-46-30-47-73-125)126-74-48-31-49-75-126)162(222)186-104-154(215)201-147-101-136-157(135-84-83-134(178(135,147)21)112(5)82-88-148(182)209)146(235-117(10)208)100-127-99-128(94-95-177(127,136)20)191-149(210)91-92-155(216)217/h23-53,58-79,110-114,127-128,133-147,157-158H,22,54-57,80-109H2,1-21H3,(H2,182,209)(H,183,231)(H,184,232)(H,185,221)(H,186,222)(H,187,206)(H,188,207)(H,189,223)(H,190,224)(H,191,210)(H,192,214)(H,193,228)(H,194,229)(H,195,230)(H,196,219)(H,197,225)(H,198,220)(H,199,227)(H,200,233)(H,201,215)(H,202,226)(H,203,211)(H,204,212)(H,205,213)(H,216,217)/t111-,112?,113-,114-,127-,128+,134+,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146+,147-,157-,158-,177-,178+/m0/s1"	CC[C@H](C)[C@H](NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)CNC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSCNC(C)=O)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NCC(=O)N[C@H]1C[C@H]2[C@@H]([C@H](OC(C)=O)C[C@@H]3C[C@H](NC(=O)CCC(=O)O)CC[C@@]32C)[C@@H]2CC[C@H](C(C)CCC(N)=O)[C@@]12C	CCC(C)C(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)CNC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(CSCNC(C)=O)NC(=O)C(C)NC(=O)C(CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CSCNC(C)=O)C(=O)NC(CCC(=O)OC(C)(C)C)C(=O)NC(CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NCC(=O)NC1CC2C(C(OC(C)=O)CC3CC(NC(=O)CCC(=O)O)CCC32C)C2CCC(C(C)CCC(N)=O)C12C	MAKMPNSASYXDOJ-QIXVOPIJSA-N	.							
PDC_01346	"QACKGKIQALCENG - Carbamic acid, N-[(3&alpha;,5&beta;,7&alpha;,12&alpha;)-7-(acetyloxy)-3,24-diamino-24-oxocholan-12-yl]-, 1,1-dimethylethyl ester conjugate 4"	32	50	"InChI=1S/C166H224N24O30S2/c1-22-102(4)144-156(214)181-126(78-82-138(198)189-165(112-60-38-26-39-61-112,113-62-40-27-41-63-113)114-64-42-28-43-65-114)150(208)175-104(6)145(203)182-128(90-101(2)3)153(211)185-131(98-222-100-173-107(9)192)155(213)180-127(79-85-142(202)218-159(11,12)13)151(209)183-129(94-139(199)190-166(115-66-44-29-45-67-115,116-68-46-30-47-69-116)117-70-48-31-49-71-117)148(206)171-96-141(201)186-133-93-122-143(121-76-75-120(163(121,133)21)103(5)74-80-134(167)194)132(217-108(10)193)92-118-91-119(86-87-162(118,122)20)176-135(195)83-84-136(196)177-125(77-81-137(197)188-164(109-54-32-23-33-55-109,110-56-34-24-35-57-110)111-58-36-25-37-59-111)149(207)174-105(7)146(204)184-130(97-221-99-172-106(8)191)154(212)179-123(72-50-52-88-168-157(215)219-160(14,15)16)147(205)170-95-140(200)178-124(152(210)187-144)73-51-53-89-169-158(216)220-161(17,18)19/h23-49,54-71,101-105,118-133,143-144H,22,50-53,72-100H2,1-21H3,(H2,167,194)(H,168,215)(H,169,216)(H,170,205)(H,171,206)(H,172,191)(H,173,192)(H,174,207)(H,175,208)(H,176,195)(H,177,196)(H,178,200)(H,179,212)(H,180,213)(H,181,214)(H,182,203)(H,183,209)(H,184,204)(H,185,211)(H,186,201)(H,187,210)(H,188,197)(H,189,198)(H,190,199)/t102-,103?,104-,105-,118-,119+,120+,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132+,133+,143-,144-,162-,163+/m0/s1"	CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)CNC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)CCC(=O)N[C@@H]2CC[C@@]3(C)[C@@H](C2)C[C@@H](OC(C)=O)[C@@H]2[C@@H]3C[C@@H](NC(=O)CNC(=O)[C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)NC1=O)[C@]1(C)[C@@H](C(C)CCC(N)=O)CC[C@@H]21	CCC(C)C1NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)CNC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(CSCNC(C)=O)NC(=O)C(C)NC(=O)C(CCC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)CCC(=O)NC2CCC3(C)C(C2)CC(OC(C)=O)C2C3CC(NC(=O)CNC(=O)C(CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)NC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)C(CSCNC(C)=O)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CCC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)NC1=O)C1(C)C(C(C)CCC(N)=O)CCC21	CBTRVNWSHGLMFQ-XILYQRGSSA-N	.							
PDC_01347	"QACKGKIQALCENG - Carbamic acid, N-[(3&alpha;,5&beta;,7&alpha;,12&alpha;)-7-(acetyloxy)-3,24-diamino-24-oxocholan-12-yl]-, 1,1-dimethylethyl ester conjugate 5"	31	58	"InChI=1S/C160H214N22O29S2/c1-20-98(4)138-150(205)173-120(76-80-131(187)181-159(106-58-36-24-37-59-106,107-60-38-25-39-61-107)108-62-40-26-41-63-108)144(199)168-100(6)139(194)174-122(88-97(2)3)147(202)177-125(149(204)172-121(77-83-136(193)209-153(9,10)11)145(200)175-123(92-132(188)182-160(109-64-42-27-43-65-109,110-66-44-28-45-67-110)111-68-46-29-47-69-111)142(197)166-94-134(190)178-127-91-116-137(115-74-73-114(157(115,127)19)99(5)72-78-128(162)184)126(208-102(8)183)90-112-89-113(161)84-85-156(112,116)18)96-213-212-95-124(148(203)171-117(70-48-50-86-163-151(206)210-154(12,13)14)141(196)165-93-133(189)170-118(146(201)179-138)71-49-51-87-164-152(207)211-155(15,16)17)176-140(195)101(7)167-143(198)119(169-129(185)81-82-135(191)192)75-79-130(186)180-158(103-52-30-21-31-53-103,104-54-32-22-33-55-104)105-56-34-23-35-57-105/h21-47,52-69,97-101,112-127,137-138H,20,48-51,70-96,161H2,1-19H3,(H2,162,184)(H,163,206)(H,164,207)(H,165,196)(H,166,197)(H,167,198)(H,168,199)(H,169,185)(H,170,189)(H,171,203)(H,172,204)(H,173,205)(H,174,194)(H,175,200)(H,176,195)(H,177,202)(H,178,190)(H,179,201)(H,180,186)(H,181,187)(H,182,188)(H,191,192)/t98-,99?,100-,101-,112-,113+,114+,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126+,127-,137-,138-,156-,157+/m0/s1"	CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)CNC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)CCC(=O)O)CSSC[C@@H](C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)NCC(=O)N[C@H]2C[C@H]3[C@@H]([C@H](OC(C)=O)C[C@@H]4C[C@H](N)CC[C@@]43C)[C@@H]3CC[C@H](C(C)CCC(N)=O)[C@@]23C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)NC1=O	CCC(C)C1NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)CNC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(NC(=O)C(C)NC(=O)C(CCC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)CCC(=O)O)CSSCC(C(=O)NC(CCC(=O)OC(C)(C)C)C(=O)NC(CC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)NCC(=O)NC2CC3C(C(OC(C)=O)CC4CC(N)CCC43C)C3CCC(C(C)CCC(N)=O)C23C)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CCC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)NC1=O	LYFSQFNXFVZJCY-KUYDEEMESA-N	.							
PDC_01348	"QACKGKIQALCENG - Carbamic acid, N-[(3&alpha;,5&beta;,7&alpha;,12&alpha;)-7-(acetyloxy)-3,24-diamino-24-oxocholan-12-yl]-, 1,1-dimethylethyl ester conjugate 6"	33	82	"InChI=1S/C166H226N24O31S2/c1-22-102(4)144(187-152(211)124(73-51-53-89-170-158(217)221-161(17,18)19)178-139(199)95-171-147(206)123(72-50-52-88-169-157(216)220-160(14,15)16)179-154(213)130(97-222-99-173-106(8)191)184-146(205)105(7)175-149(208)125(177-135(195)83-84-141(201)202)77-81-136(196)188-164(109-54-32-23-33-55-109,110-56-34-24-35-57-110)111-58-36-25-37-59-111)156(215)181-126(78-82-137(197)189-165(112-60-38-26-39-61-112,113-62-40-27-41-63-113)114-64-42-28-43-65-114)150(209)176-104(6)145(204)182-128(90-101(2)3)153(212)185-131(98-223-100-174-107(9)192)155(214)180-127(79-85-142(203)219-159(11,12)13)151(210)183-129(94-138(198)190-166(115-66-44-29-45-67-115,116-68-46-30-47-69-116)117-70-48-31-49-71-117)148(207)172-96-140(200)186-133-93-122-143(121-76-75-120(163(121,133)21)103(5)74-80-134(168)194)132(218-108(10)193)92-118-91-119(167)86-87-162(118,122)20/h23-49,54-71,101-105,118-133,143-144H,22,50-53,72-100,167H2,1-21H3,(H2,168,194)(H,169,216)(H,170,217)(H,171,206)(H,172,207)(H,173,191)(H,174,192)(H,175,208)(H,176,209)(H,177,195)(H,178,199)(H,179,213)(H,180,214)(H,181,215)(H,182,204)(H,183,210)(H,184,205)(H,185,212)(H,186,200)(H,187,211)(H,188,196)(H,189,197)(H,190,198)(H,201,202)/t102-,103?,104-,105-,118-,119+,120+,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132+,133-,143-,144-,162-,163+/m0/s1"	CC[C@H](C)[C@H](NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)CNC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)CCC(=O)O)C(=O)N[C@@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSCNC(C)=O)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NCC(=O)N[C@H]1C[C@H]2[C@@H]([C@H](OC(C)=O)C[C@@H]3C[C@H](N)CC[C@@]32C)[C@@H]2CC[C@H](C(C)CCC(N)=O)[C@@]12C	CCC(C)C(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)CNC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(CSCNC(C)=O)NC(=O)C(C)NC(=O)C(CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)CCC(=O)O)C(=O)NC(CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CSCNC(C)=O)C(=O)NC(CCC(=O)OC(C)(C)C)C(=O)NC(CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NCC(=O)NC1CC2C(C(OC(C)=O)CC3CC(N)CCC32C)C2CCC(C(C)CCC(N)=O)C12C	KOPCUPNXXHDKPD-SBIIGHNSSA-N	.							
PDC_01349	"QACKGKIQALCENG - Carbamic acid, N-[(3&alpha;,5&beta;,7&alpha;,12&alpha;)-7-(acetyloxy)-3,24-diamino-24-oxocholan-12-yl]-, 1,1-dimethylethyl ester conjugate 7"	34	85	"InChI=1S/C170H230N24O33S2/c1-23-92-223-162(222)180-122-88-89-166(21)121(94-122)95-135(224-111(11)197)146-124-78-77-123(106(6)76-82-137(171)198)167(124,22)136(96-125(146)166)190-143(204)99-175-151(211)132(97-141(202)194-170(118-68-46-31-47-69-118,119-70-48-32-49-71-119)120-72-50-33-51-73-120)187-154(214)130(81-87-145(207)225-163(12,13)14)184-158(218)134(101-229-103-177-110(10)196)189-156(216)131(93-104(3)4)186-148(208)107(7)179-153(213)129(80-84-140(201)193-169(115-62-40-28-41-63-115,116-64-42-29-43-65-116)117-66-44-30-45-67-117)185-159(219)147(105(5)24-2)191-155(215)127(75-53-55-91-173-161(221)227-165(18,19)20)182-142(203)98-174-150(210)126(74-52-54-90-172-160(220)226-164(15,16)17)183-157(217)133(100-228-102-176-109(9)195)188-149(209)108(8)178-152(212)128(181-138(199)85-86-144(205)206)79-83-139(200)192-168(112-56-34-25-35-57-112,113-58-36-26-37-59-113)114-60-38-27-39-61-114/h23,25-51,56-73,104-108,121-136,146-147H,1,24,52-55,74-103H2,2-22H3,(H2,171,198)(H,172,220)(H,173,221)(H,174,210)(H,175,211)(H,176,195)(H,177,196)(H,178,212)(H,179,213)(H,180,222)(H,181,199)(H,182,203)(H,183,217)(H,184,218)(H,185,219)(H,186,208)(H,187,214)(H,188,209)(H,189,216)(H,190,204)(H,191,215)(H,192,200)(H,193,201)(H,194,202)(H,205,206)/t105-,106?,107-,108-,121-,122+,123+,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135+,136-,146-,147-,166-,167+/m0/s1"	C=CCOC(=O)N[C@@H]1CC[C@@]2(C)[C@@H](C1)C[C@@H](OC(C)=O)[C@@H]1[C@@H]2C[C@H](NC(=O)CNC(=O)[C@H](CC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)CNC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)CCC(=O)O)[C@@H](C)CC)[C@]2(C)[C@@H](C(C)CCC(N)=O)CC[C@@H]12	C=CCOC(=O)NC1CCC2(C)C(C1)CC(OC(C)=O)C1C2CC(NC(=O)CNC(=O)C(CC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)C(CSCNC(C)=O)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CCC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)C(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)CNC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(CSCNC(C)=O)NC(=O)C(C)NC(=O)C(CCC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)CCC(=O)O)C(C)CC)C2(C)C(C(C)CCC(N)=O)CCC12	LRMVLBHDJXLVJO-DVEBIESSSA-N	.							
PDC_01350	"QACKGKIQALCENG - Carbamic acid, N-[(3&alpha;,5&beta;,7&alpha;,12&alpha;)-7-(acetyloxy)-3,24-diamino-24-oxocholan-12-yl]-, 1,1-dimethylethyl ester conjugate 8"	34	84	"InChI=1S/C181H236N24O32S2/c1-23-98-232-172(230)191-129-94-95-177(21)128(100-129)101-147(234-118(11)208)156-136-86-85-135(113(6)84-90-149(182)209)178(136,22)148(102-137(156)177)201-154(214)105-186-161(219)144(103-152(212)205-181(125-72-46-31-47-73-125,126-74-48-32-49-75-126)127-76-50-33-51-77-127)197-164(222)141(89-93-155(215)235-174(12,13)14)194-168(226)146(108-239-110-188-117(10)207)199-166(224)143(99-111(3)4)196-158(216)114(7)189-162(220)140(87-91-150(210)203-179(119-60-34-25-35-61-119,120-62-36-26-37-63-120)121-64-38-27-39-65-121)195-169(227)157(112(5)24-2)202-165(223)139(83-57-59-97-184-171(229)237-176(18,19)20)192-153(213)104-185-160(218)138(82-56-58-96-183-170(228)236-175(15,16)17)193-167(225)145(107-238-109-187-116(9)206)198-159(217)115(8)190-163(221)142(200-173(231)233-106-134-132-80-54-52-78-130(132)131-79-53-55-81-133(131)134)88-92-151(211)204-180(122-66-40-28-41-67-122,123-68-42-29-43-69-123)124-70-44-30-45-71-124/h23,25-55,60-81,111-115,128-129,134-148,156-157H,1,24,56-59,82-110H2,2-22H3,(H2,182,209)(H,183,228)(H,184,229)(H,185,218)(H,186,219)(H,187,206)(H,188,207)(H,189,220)(H,190,221)(H,191,230)(H,192,213)(H,193,225)(H,194,226)(H,195,227)(H,196,216)(H,197,222)(H,198,217)(H,199,224)(H,200,231)(H,201,214)(H,202,223)(H,203,210)(H,204,211)(H,205,212)/t112-,113?,114-,115-,128-,129+,135+,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147+,148-,156-,157-,177-,178+/m0/s1"	C=CCOC(=O)N[C@@H]1CC[C@@]2(C)[C@@H](C1)C[C@@H](OC(C)=O)[C@@H]1[C@@H]2C[C@H](NC(=O)CNC(=O)[C@H](CC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)CNC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)CC)[C@]2(C)[C@@H](C(C)CCC(N)=O)CC[C@@H]12	C=CCOC(=O)NC1CCC2(C)C(C1)CC(OC(C)=O)C1C2CC(NC(=O)CNC(=O)C(CC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)C(CSCNC(C)=O)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CCC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)C(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)CNC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(CSCNC(C)=O)NC(=O)C(C)NC(=O)C(CCC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)CC)C2(C)C(C(C)CCC(N)=O)CCC12	UHELQLJHGWXGND-JEHUTBLTSA-N	.							
PDC_01351	RIKPHQGQHIGQFPQIM - Meso-porphyrin derivative conjugate 1	35	54	"InChI=1S/C148H194N36O25S/c1-11-88(7)130-143(201)160-80-125(190)168-111(55-59-123(188)157-63-67-206-69-71-208-72-70-207-68-66-182-81-98(180-181-182)82-209-99-42-40-95(41-43-99)129-106-50-48-104(165-106)127(93-36-30-86(5)31-37-93)102-46-44-100(163-102)126(92-34-28-85(4)29-35-92)101-45-47-103(164-101)128(105-49-51-107(129)166-105)94-38-32-87(6)33-39-94)135(193)176-117(74-91-22-15-14-16-23-91)147(205)184-65-21-26-118(184)141(199)171-112(54-58-122(152)187)138(196)179-131(89(8)12-2)144(202)172-113(60-73-210-10)136(194)169-108(25-19-62-158-148(153)154)137(195)178-132(90(9)13-3)145(203)173-114(24-17-18-61-149)146(204)183-64-20-27-119(183)142(200)175-115(75-96-77-155-83-161-96)139(197)170-109(52-56-120(150)185)133(191)159-79-124(189)167-110(53-57-121(151)186)134(192)174-116(140(198)177-130)76-97-78-156-84-162-97/h14-16,22-23,28-51,77-78,81,83-84,88-90,108-119,130-132,165-166H,11-13,17-21,24-27,52-76,79-80,82,149H2,1-10H3,(H2,150,185)(H2,151,186)(H2,152,187)(H,155,161)(H,156,162)(H,157,188)(H,159,191)(H,160,201)(H,167,189)(H,168,190)(H,169,194)(H,170,197)(H,171,199)(H,172,202)(H,173,203)(H,174,192)(H,175,200)(H,176,193)(H,177,198)(H,178,195)(H,179,196)(H4,153,154,158)/t88-,89-,90-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117+,118-,119-,130-,131-,132-/m0/s1"	CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCSC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)NCCOCCOCCOCCn2cc(COc3ccc(-c4c5ccc([nH]5)c(-c5ccc(C)cc5)c5nc(c(-c6ccc(C)cc6)c6nc(c(-c7ccc(C)cc7)c7ccc4[nH]7)C=C6)C=C5)cc3)nn2)NC(=O)CNC1=O	CCC(C)C1NC(=O)C(Cc2cnc[nH]2)NC(=O)C(CCC(N)=O)NC(=O)CNC(=O)C(CCC(N)=O)NC(=O)C(Cc2cnc[nH]2)NC(=O)C2CCCN2C(=O)C(CCCCN)NC(=O)C(C(C)CC)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCSC)NC(=O)C(C(C)CC)NC(=O)C(CCC(N)=O)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CCC(=O)NCCOCCOCCOCCn2cc(COc3ccc(-c4c5ccc([nH]5)c(-c5ccc(C)cc5)c5nc(c(-c6ccc(C)cc6)c6nc(c(-c7ccc(C)cc7)c7ccc4[nH]7)C=C6)C=C5)cc3)nn2)NC(=O)CNC1=O	WFOYSJGILYXQTM-OFRAOMPZSA-N	.							
PDC_01352	RIKPHQGQHIGQFPQIM - Meso-porphyrin derivative conjugate	32	52	"InChI=1S/C146H192N34O25S/c1-11-86(7)127-141(198)159-80-122(186)167-108(55-59-120(184)155-63-67-203-69-71-205-72-70-204-68-64-156-130(187)94-42-40-93(41-43-94)126-103-50-48-101(164-103)124(91-36-30-84(5)31-37-91)99-46-44-97(162-99)123(90-34-28-83(4)29-35-90)98-45-47-100(163-98)125(102-49-51-104(126)165-102)92-38-32-85(6)33-39-92)133(190)175-114(74-89-22-15-14-16-23-89)145(202)180-66-21-26-115(180)139(196)170-109(54-58-119(150)183)136(193)178-128(87(8)12-2)142(199)171-110(60-73-206-10)134(191)168-105(25-19-62-157-146(151)152)135(192)177-129(88(9)13-3)143(200)172-111(24-17-18-61-147)144(201)179-65-20-27-116(179)140(197)174-112(75-95-77-153-81-160-95)137(194)169-106(52-56-117(148)181)131(188)158-79-121(185)166-107(53-57-118(149)182)132(189)173-113(138(195)176-127)76-96-78-154-82-161-96/h14-16,22-23,28-51,77-78,81-82,86-88,105-116,127-129,164-165H,11-13,17-21,24-27,52-76,79-80,147H2,1-10H3,(H2,148,181)(H2,149,182)(H2,150,183)(H,153,160)(H,154,161)(H,155,184)(H,156,187)(H,158,188)(H,159,198)(H,166,185)(H,167,186)(H,168,191)(H,169,194)(H,170,196)(H,171,199)(H,172,200)(H,173,189)(H,174,197)(H,175,190)(H,176,195)(H,177,192)(H,178,193)(H4,151,152,157)/t86-,87-,88-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114+,115-,116-,127-,128-,129-/m0/s1"	CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCSC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)NCCOCCOCCOCCNC(=O)c2ccc(-c3c4ccc([nH]4)c(-c4ccc(C)cc4)c4nc(c(-c5ccc(C)cc5)c5nc(c(-c6ccc(C)cc6)c6ccc3[nH]6)C=C5)C=C4)cc2)NC(=O)CNC1=O	CCC(C)C1NC(=O)C(Cc2cnc[nH]2)NC(=O)C(CCC(N)=O)NC(=O)CNC(=O)C(CCC(N)=O)NC(=O)C(Cc2cnc[nH]2)NC(=O)C2CCCN2C(=O)C(CCCCN)NC(=O)C(C(C)CC)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCSC)NC(=O)C(C(C)CC)NC(=O)C(CCC(N)=O)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CCC(=O)NCCOCCOCCOCCNC(=O)c2ccc(-c3c4ccc([nH]4)c(-c4ccc(C)cc4)c4nc(c(-c5ccc(C)cc5)c5nc(c(-c6ccc(C)cc6)c6ccc3[nH]6)C=C5)C=C4)cc2)NC(=O)CNC1=O	OIHYKHCIOFCGBW-XPMJGNMMSA-N	.							
PDC_01353	Tripeptide 68 - Naproxen conjugate 1	16	38	"InChI=1S/C49H63N7O24/c1-23(24-3-4-26-22-27(80-2)6-5-25(26)21-24)42(68)53-29(44(70)54-30(45(71)56-34(49(78)79)13-20-41(66)67)9-16-37(59)52-32(47(74)75)11-18-39(62)63)8-15-35(57)50-28(43(69)55-33(48(76)77)12-19-40(64)65)7-14-36(58)51-31(46(72)73)10-17-38(60)61/h3-6,21-23,28-34H,7-20H2,1-2H3,(H,50,57)(H,51,58)(H,52,59)(H,53,68)(H,54,70)(H,55,69)(H,56,71)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H,72,73)(H,74,75)(H,76,77)(H,78,79)/t23-,28-,29-,30-,31-,32-,33-,34-/m0/s1"	COc1ccc2cc([C@H](C)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)ccc2c1	COc1ccc2cc(C(C)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)NC(CCC(=O)O)C(=O)O)C(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)NC(CCC(=O)O)C(=O)O)ccc2c1	KUAZDURXCGBWFO-OTFDMFETSA-N	.							
PDC_01354	Tripeptide 68 - Naproxen conjugate 2	24	54	"InChI=1S/C105H111N7O24/c1-71(80-43-44-82-62-83(128-2)46-45-81(82)61-80)98(120)109-85(100(122)110-86(101(123)112-90(105(127)136-70-79-41-25-10-26-42-79)53-60-97(119)132-66-75-33-17-6-18-34-75)49-56-93(115)108-88(103(125)134-68-77-37-21-8-22-38-77)51-58-95(117)130-64-73-29-13-4-14-30-73)48-55-91(113)106-84(99(121)111-89(104(126)135-69-78-39-23-9-24-40-78)52-59-96(118)131-65-74-31-15-5-16-32-74)47-54-92(114)107-87(102(124)133-67-76-35-19-7-20-36-76)50-57-94(116)129-63-72-27-11-3-12-28-72/h3-46,61-62,71,84-90H,47-60,63-70H2,1-2H3,(H,106,113)(H,107,114)(H,108,115)(H,109,120)(H,110,122)(H,111,121)(H,112,123)/t71-,84-,85-,86-,87-,88-,89-,90-/m0/s1"	COc1ccc2cc([C@H](C)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)OCc3ccccc3)C(=O)OCc3ccccc3)C(=O)N[C@@H](CCC(=O)OCc3ccccc3)C(=O)OCc3ccccc3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)OCc3ccccc3)C(=O)OCc3ccccc3)C(=O)N[C@@H](CCC(=O)OCc3ccccc3)C(=O)OCc3ccccc3)ccc2c1	COc1ccc2cc(C(C)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)OCc3ccccc3)C(=O)OCc3ccccc3)C(=O)NC(CCC(=O)OCc3ccccc3)C(=O)OCc3ccccc3)C(=O)NC(CCC(=O)NC(CCC(=O)OCc3ccccc3)C(=O)OCc3ccccc3)C(=O)NC(CCC(=O)OCc3ccccc3)C(=O)OCc3ccccc3)ccc2c1	UERPRCCJLIBAME-OMZREXEQSA-N	.							
PDC_01355	Dipeptide 34 - Naproxen conjugate 1	12	26	"InChI=1S/C57H59N3O12/c1-39(44-23-24-46-34-47(68-2)26-25-45(46)33-44)54(64)59-48(55(65)60-50(57(67)72-38-43-21-13-6-14-22-43)29-32-53(63)70-36-41-17-9-4-10-18-41)27-30-51(61)58-49(56(66)71-37-42-19-11-5-12-20-42)28-31-52(62)69-35-40-15-7-3-8-16-40/h3-26,33-34,39,48-50H,27-32,35-38H2,1-2H3,(H,58,61)(H,59,64)(H,60,65)/t39-,48-,49-,50-/m0/s1"	COc1ccc2cc([C@H](C)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)OCc3ccccc3)C(=O)OCc3ccccc3)C(=O)N[C@@H](CCC(=O)OCc3ccccc3)C(=O)OCc3ccccc3)ccc2c1	COc1ccc2cc(C(C)C(=O)NC(CCC(=O)NC(CCC(=O)OCc3ccccc3)C(=O)OCc3ccccc3)C(=O)NC(CCC(=O)OCc3ccccc3)C(=O)OCc3ccccc3)ccc2c1	LJLKEWWEFKUZKB-OSNOQIOVSA-N	.							
PDC_01356	Tripeptide 68 - Naproxen conjugate 3	16	31	"InChI=1S/C42H49N7O24/c1-16(17-3-4-19-8-20(73-2)6-5-18(19)7-17)35(61)46-22(37(63)47-23(38(64)49-27(42(71)72)15-34(59)60)11-30(52)45-25(40(67)68)13-32(55)56)10-28(50)43-21(36(62)48-26(41(69)70)14-33(57)58)9-29(51)44-24(39(65)66)12-31(53)54/h3-8,16,21-27H,9-15H2,1-2H3,(H,43,50)(H,44,51)(H,45,52)(H,46,61)(H,47,63)(H,48,62)(H,49,64)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,65,66)(H,67,68)(H,69,70)(H,71,72)/t16-,21-,22-,23-,24-,25-,26-,27-/m0/s1"	COc1ccc2cc([C@H](C)C(=O)N[C@@H](CC(=O)N[C@@H](CC(=O)N[C@@H](CC(=O)O)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)C(=O)N[C@@H](CC(=O)N[C@@H](CC(=O)O)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)ccc2c1	COc1ccc2cc(C(C)C(=O)NC(CC(=O)NC(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)NC(CC(=O)O)C(=O)O)C(=O)NC(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)NC(CC(=O)O)C(=O)O)ccc2c1	RCZARKHCTSZBBR-SXFJQQGLSA-N	.							
PDC_01357	Dipeptide 34 - Naproxen conjugate 2	8	15	"InChI=1S/C26H29N3O12/c1-12(13-3-4-15-8-16(41-2)6-5-14(15)7-13)23(35)28-17(24(36)29-19(26(39)40)11-22(33)34)9-20(30)27-18(25(37)38)10-21(31)32/h3-8,12,17-19H,9-11H2,1-2H3,(H,27,30)(H,28,35)(H,29,36)(H,31,32)(H,33,34)(H,37,38)(H,39,40)/t12-,17-,18-,19-/m0/s1"	COc1ccc2cc([C@H](C)C(=O)N[C@@H](CC(=O)N[C@@H](CC(=O)O)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)ccc2c1	COc1ccc2cc(C(C)C(=O)NC(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)NC(CC(=O)O)C(=O)O)ccc2c1	QWTHZPWDPFTIDP-TUCQFJRYSA-N	.							
PDC_01358	Tripeptide 68 - Naproxen conjugate 4	24	47	"InChI=1S/C98H97N7O24/c1-64(73-43-44-75-48-76(121-2)46-45-74(75)47-73)91(113)102-78(93(115)103-79(94(116)105-83(98(120)129-63-72-41-25-10-26-42-72)55-90(112)125-59-68-33-17-6-18-34-68)51-86(108)101-81(96(118)127-61-70-37-21-8-22-38-70)53-88(110)123-57-66-29-13-4-14-30-66)50-84(106)99-77(92(114)104-82(97(119)128-62-71-39-23-9-24-40-71)54-89(111)124-58-67-31-15-5-16-32-67)49-85(107)100-80(95(117)126-60-69-35-19-7-20-36-69)52-87(109)122-56-65-27-11-3-12-28-65/h3-48,64,77-83H,49-63H2,1-2H3,(H,99,106)(H,100,107)(H,101,108)(H,102,113)(H,103,115)(H,104,114)(H,105,116)/t64-,77-,78-,79-,80-,81-,82-,83-/m0/s1"	COc1ccc2cc([C@H](C)C(=O)N[C@@H](CC(=O)N[C@@H](CC(=O)N[C@@H](CC(=O)OCc3ccccc3)C(=O)OCc3ccccc3)C(=O)N[C@@H](CC(=O)OCc3ccccc3)C(=O)OCc3ccccc3)C(=O)N[C@@H](CC(=O)N[C@@H](CC(=O)OCc3ccccc3)C(=O)OCc3ccccc3)C(=O)N[C@@H](CC(=O)OCc3ccccc3)C(=O)OCc3ccccc3)ccc2c1	COc1ccc2cc(C(C)C(=O)NC(CC(=O)NC(CC(=O)NC(CC(=O)OCc3ccccc3)C(=O)OCc3ccccc3)C(=O)NC(CC(=O)OCc3ccccc3)C(=O)OCc3ccccc3)C(=O)NC(CC(=O)NC(CC(=O)OCc3ccccc3)C(=O)OCc3ccccc3)C(=O)NC(CC(=O)OCc3ccccc3)C(=O)OCc3ccccc3)ccc2c1	YMFSKPLFOYRUJB-XIBUBIJUSA-N	.							
PDC_01359	Dipeptide 34 - Naproxen conjugate 3	12	23	"InChI=1S/C54H53N3O12/c1-36(41-23-24-43-28-44(65-2)26-25-42(43)27-41)51(61)56-45(52(62)57-47(54(64)69-35-40-21-13-6-14-22-40)31-50(60)67-33-38-17-9-4-10-18-38)29-48(58)55-46(53(63)68-34-39-19-11-5-12-20-39)30-49(59)66-32-37-15-7-3-8-16-37/h3-28,36,45-47H,29-35H2,1-2H3,(H,55,58)(H,56,61)(H,57,62)/t36-,45-,46-,47-/m0/s1"	COc1ccc2cc([C@H](C)C(=O)N[C@@H](CC(=O)N[C@@H](CC(=O)OCc3ccccc3)C(=O)OCc3ccccc3)C(=O)N[C@@H](CC(=O)OCc3ccccc3)C(=O)OCc3ccccc3)ccc2c1	COc1ccc2cc(C(C)C(=O)NC(CC(=O)NC(CC(=O)OCc3ccccc3)C(=O)OCc3ccccc3)C(=O)NC(CC(=O)OCc3ccccc3)C(=O)OCc3ccccc3)ccc2c1	JZNDHBDICDPMFX-RXAXJENLSA-N	.							
PDC_01360	AAGYLLGKINLKALAALAKKIL - Firefly luciferin derivative conjugate	39	89	"InChI=1S/C122H202N30O29S4/c1-22-68(15)97(117(175)142-84(99(129)157)49-62(3)4)152-110(168)83(36-27-31-46-126)140-108(166)82(35-26-30-45-125)139-102(160)73(20)136-112(170)87(52-65(9)10)143-103(161)72(19)132-101(159)71(18)135-111(169)86(51-64(7)8)144-104(162)74(21)134-107(165)81(34-25-29-44-124)141-113(171)88(53-66(11)12)147-116(174)91(57-94(128)154)148-118(176)98(69(16)23-2)151-109(167)80(33-24-28-43-123)137-95(155)59-131-106(164)85(50-63(5)6)145-114(172)89(54-67(13)14)146-115(173)90(55-75-37-39-76(153)40-38-75)138-96(156)58-130-100(158)70(17)133-105(163)78(127)60-184-183-48-32-47-180-122(179)181-77-41-42-79-93(56-77)185-120(149-79)119-150-92(61-182-119)121(177)178/h37-42,56,62-74,78,80-92,97-98,153H,22-36,43-55,57-61,123-127H2,1-21H3,(H2,128,154)(H2,129,157)(H,130,158)(H,131,164)(H,132,159)(H,133,163)(H,134,165)(H,135,169)(H,136,170)(H,137,155)(H,138,156)(H,139,160)(H,140,166)(H,141,171)(H,142,175)(H,143,161)(H,144,162)(H,145,172)(H,146,173)(H,147,174)(H,148,176)(H,151,167)(H,152,168)(H,177,178)/t68-,69-,70-,71-,72-,73-,74-,78-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92+,97-,98-/m0/s1"	CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)CSSCCCOC(=O)Oc1ccc2nc(C3=N[C@@H](C(=O)O)CS3)sc2c1)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(N)=O	CCC(C)C(NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)CNC(=O)C(C)NC(=O)C(N)CSSCCCOC(=O)Oc1ccc2nc(C3=NC(C(=O)O)CS3)sc2c1)C(C)CC)C(=O)NC(CC(C)C)C(N)=O	OJLMYZJUGPUWSU-RCZWRADGSA-N	.							
PDC_01361	AMVTVLFRRLRIRRASGPPRVRV - Firefly luciferin derivative conjugate	44	98	"InChI=1S/C134H225N47O30S5/c1-18-72(14)100(121(204)167-82(37-25-49-154-130(143)144)108(191)161-79(34-22-46-151-127(137)138)106(189)159-73(15)103(186)171-90(63-182)105(188)158-62-95(184)180-53-30-42-93(180)125(206)181-54-29-41-92(181)117(200)165-84(39-27-51-156-132(147)148)111(194)175-97(69(8)9)118(201)166-85(40-28-52-157-133(149)150)110(193)174-96(68(6)7)102(136)185)178-112(195)83(38-26-50-155-131(145)146)164-114(197)87(58-66(2)3)168-109(192)81(36-24-48-153-129(141)142)162-107(190)80(35-23-47-152-128(139)140)163-116(199)89(60-75-32-20-19-21-33-75)169-115(198)88(59-67(4)5)170-119(202)98(70(10)11)177-122(205)101(74(16)183)179-120(203)99(71(12)13)176-113(196)86(45-57-212-17)160-104(187)77(135)64-215-214-56-31-55-210-134(209)211-76-43-44-78-94(61-76)216-124(172-78)123-173-91(65-213-123)126(207)208/h19-21,32-33,43-44,61,66-74,77,79-93,96-101,182-183H,18,22-31,34-42,45-60,62-65,135H2,1-17H3,(H2,136,185)(H,158,188)(H,159,189)(H,160,187)(H,161,191)(H,162,190)(H,163,199)(H,164,197)(H,165,200)(H,166,201)(H,167,204)(H,168,192)(H,169,198)(H,170,202)(H,171,186)(H,174,193)(H,175,194)(H,176,196)(H,177,205)(H,178,195)(H,179,203)(H,207,208)(H4,137,138,151)(H4,139,140,152)(H4,141,142,153)(H4,143,144,154)(H4,145,146,155)(H4,147,148,156)(H4,149,150,157)/t72-,73-,74+,77-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91+,92-,93-,96-,97-,98-,99-,100-,101-/m0/s1"	CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CSSCCCOC(=O)Oc1ccc2nc(C3=N[C@@H](C(=O)O)CS3)sc2c1)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)C(C)C)C(C)C	CCC(C)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CCSC)NC(=O)C(N)CSSCCCOC(=O)Oc1ccc2nc(C3=NC(C(=O)O)CS3)sc2c1)C(C)C)C(C)O)C(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CO)C(=O)NCC(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(CCCNC(=N)N)C(=O)NC(C(=O)NC(CCCNC(=N)N)C(=O)NC(C(N)=O)C(C)C)C(C)C	QMXCCPPBYJLUMN-XPZRHWKFSA-N	.							
PDC_01362	ALLIILRRRIRKQAHAHSK - Firefly luciferin derivative conjugate	40	91	"InChI=1S/C116H195N41O26S4/c1-15-61(10)87(106(176)146-75(31-24-41-134-114(126)127)98(168)141-72(28-19-21-38-118)95(165)145-77(35-36-86(120)159)94(164)138-64(13)91(161)147-81(48-66-51-130-56-136-66)100(170)139-65(14)92(162)148-82(49-67-52-131-57-137-67)103(173)152-83(53-158)105(175)140-71(90(121)160)27-18-20-37-117)155-99(169)76(32-25-42-135-115(128)129)143-96(166)73(29-22-39-132-112(122)123)142-97(167)74(30-23-40-133-113(124)125)144-101(171)79(46-59(6)7)151-107(177)88(62(11)16-2)157-108(178)89(63(12)17-3)156-104(174)80(47-60(8)9)150-102(172)78(45-58(4)5)149-93(163)69(119)54-186-185-44-26-43-182-116(181)183-68-33-34-70-85(50-68)187-110(153-70)109-154-84(55-184-109)111(179)180/h33-34,50-52,56-65,69,71-84,87-89,158H,15-32,35-49,53-55,117-119H2,1-14H3,(H2,120,159)(H2,121,160)(H,130,136)(H,131,137)(H,138,164)(H,139,170)(H,140,175)(H,141,168)(H,142,167)(H,143,166)(H,144,171)(H,145,165)(H,146,176)(H,147,161)(H,148,162)(H,149,163)(H,150,172)(H,151,177)(H,152,173)(H,155,169)(H,156,174)(H,157,178)(H,179,180)(H4,122,123,132)(H4,124,125,133)(H4,126,127,134)(H4,128,129,135)/t61-,62-,63-,64-,65-,69-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84+,87-,88-,89-/m0/s1"	CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CSSCCCOC(=O)Oc1ccc2nc(C3=N[C@@H](C(=O)O)CS3)sc2c1)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(N)=O	CCC(C)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(N)CSSCCCOC(=O)Oc1ccc2nc(C3=NC(C(=O)O)CS3)sc2c1)C(C)CC)C(C)CC)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCC(N)=O)C(=O)NC(C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(CCCCN)C(N)=O	MDVZZVQIVBOCFB-YHVQIHHYSA-N	.							
PDC_01363	"GILKEPVHGA - 9,12-Octadecadienoic acid (9Z,12Z)-, hydrazide conjugate"	15	47	"InChI=1S/C65H110N16O14/c1-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30-51(82)79-80-65(95)70-39-53(84)77-56(43(7)10-2)63(93)75-48(35-41(3)4)60(90)73-46(28-25-26-33-66)59(89)74-47(31-32-54(85)86)64(94)81-34-27-29-50(81)61(91)78-55(42(5)6)62(92)76-49(36-45-37-68-40-71-45)58(88)69-38-52(83)72-44(8)57(67)87/h14-15,17-18,37,40-44,46-50,55-56H,9-13,16,19-36,38-39,66H2,1-8H3,(H2,67,87)(H,68,71)(H,69,88)(H,72,83)(H,73,90)(H,74,89)(H,75,93)(H,76,92)(H,77,84)(H,78,91)(H,79,82)(H,85,86)(H2,70,80,95)/b15-14-,18-17-/t43-,44-,46-,47-,48-,49-,50-,55-,56-/m0/s1"	CCCCC/C=C\C/C=C\CCCCCCCC(=O)NNC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCC(=O)N[C@@H](C)C(N)=O)C(C)C)[C@@H](C)CC	CCCCCC=CCC=CCCCCCCCC(=O)NNC(=O)NCC(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)N1CCCC1C(=O)NC(C(=O)NC(Cc1cnc[nH]1)C(=O)NCC(=O)NC(C)C(N)=O)C(C)C)C(C)CC	IXVXJNQIFMFCBR-ARNBQISOSA-N	.							
PDC_01364	GILKEPVHGA - (9Z)-9-Octadecenoic acid hydrazide conjugate	15	48	"InChI=1S/C65H112N16O14/c1-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30-51(82)79-80-65(95)70-39-53(84)77-56(43(7)10-2)63(93)75-48(35-41(3)4)60(90)73-46(28-25-26-33-66)59(89)74-47(31-32-54(85)86)64(94)81-34-27-29-50(81)61(91)78-55(42(5)6)62(92)76-49(36-45-37-68-40-71-45)58(88)69-38-52(83)72-44(8)57(67)87/h17-18,37,40-44,46-50,55-56H,9-16,19-36,38-39,66H2,1-8H3,(H2,67,87)(H,68,71)(H,69,88)(H,72,83)(H,73,90)(H,74,89)(H,75,93)(H,76,92)(H,77,84)(H,78,91)(H,79,82)(H,85,86)(H2,70,80,95)/b18-17-/t43-,44-,46-,47-,48-,49-,50-,55-,56-/m0/s1"	CCCCCCCC/C=C\CCCCCCCC(=O)NNC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCC(=O)N[C@@H](C)C(N)=O)C(C)C)[C@@H](C)CC	CCCCCCCCC=CCCCCCCCC(=O)NNC(=O)NCC(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)N1CCCC1C(=O)NC(C(=O)NC(Cc1cnc[nH]1)C(=O)NCC(=O)NC(C)C(N)=O)C(C)C)C(C)CC	NUDMJMIXFXJCOG-SQAXSNDLSA-N	.							
PDC_01365	"GILKEPVHGA - Cholest-5-en-3-ol (3&beta;)-, 3-(hydrazinecarboxylate) conjugate"	16	39	"InChI=1S/C75H124N16O15/c1-13-44(8)63(87-60(93)39-80-72(104)89-90-73(105)106-49-28-30-74(11)47(35-49)22-23-50-52-25-24-51(45(9)19-16-18-41(2)3)75(52,12)31-29-53(50)74)70(102)85-56(34-42(4)5)67(99)83-54(20-14-15-32-76)66(98)84-55(26-27-61(94)95)71(103)91-33-17-21-58(91)68(100)88-62(43(6)7)69(101)86-57(36-48-37-78-40-81-48)65(97)79-38-59(92)82-46(10)64(77)96/h22,37,40-46,49-58,62-63H,13-21,23-36,38-39,76H2,1-12H3,(H2,77,96)(H,78,81)(H,79,97)(H,82,92)(H,83,99)(H,84,98)(H,85,102)(H,86,101)(H,87,93)(H,88,100)(H,90,105)(H,94,95)(H2,80,89,104)/t44-,45?,46-,49-,50-,51+,52-,53-,54-,55-,56-,57-,58-,62-,63-,74-,75+/m0/s1"	CC[C@H](C)[C@H](NC(=O)CNC(=O)NNC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](C(C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCC(=O)N[C@@H](C)C(N)=O)C(C)C	CCC(C)C(NC(=O)CNC(=O)NNC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)N1CCCC1C(=O)NC(C(=O)NC(Cc1cnc[nH]1)C(=O)NCC(=O)NC(C)C(N)=O)C(C)C	LZDYLUTWLXWRLZ-DNFWLDKSSA-N	.							
PDC_01366	EGFLG - Methotrexate conjugate	19	34	"InChI=1S/C50H72N14O11/c1-32(2)26-38(48(70)56-29-40(65)54-19-9-21-74-23-25-75-24-22-73-20-8-18-51)61-49(71)39(27-33-10-6-5-7-11-33)59-41(66)30-57-47(69)37(16-17-42(67)72-4)60-46(68)34-12-14-36(15-13-34)64(3)31-35-28-55-45-43(58-35)44(52)62-50(53)63-45/h5-7,10-15,28,32,37-39H,8-9,16-27,29-31,51H2,1-4H3,(H,54,65)(H,56,70)(H,57,69)(H,59,66)(H,60,68)(H,61,71)(H4,52,53,55,62,63)/t37-,38-,39-/m0/s1"	COC(=O)CC[C@H](NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NCCCOCCOCCOCCCN	COC(=O)CCC(NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)NCC(=O)NCCCOCCOCCOCCCN	HYGNNTBNJUCUOR-IGMOWHQGSA-N	.							
PDC_01367	Tetrapeptide 23 - Methotrexate conjugate 1	19	34	"InChI=1S/C53H70N14O11/c1-67(33-37-32-59-47-45(60-37)46(56)65-53(57)66-47)38-17-15-36(16-18-38)48(70)61-39(19-20-44(69)75-2)50(72)64-42(31-43(55)68)52(74)63-41(30-35-13-7-4-8-14-35)51(73)62-40(29-34-11-5-3-6-12-34)49(71)58-22-10-24-77-26-28-78-27-25-76-23-9-21-54/h3-8,11-18,32,39-42H,9-10,19-31,33,54H2,1-2H3,(H2,55,68)(H,58,71)(H,61,70)(H,62,73)(H,63,74)(H,64,72)(H4,56,57,59,65,66)/t39-,40-,41-,42-/m0/s1"	COC(=O)CC[C@H](NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCOCCOCCOCCCN	COC(=O)CCC(NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCCCOCCOCCOCCCN	DVVNQEOGYRYVSL-IWWWZYECSA-N	.							
PDC_01368	XGFLG - Methotrexate conjugate 2	19	34	"InChI=1S/C50H72N14O11/c1-32(2)26-38(47(69)57-29-41(66)54-19-9-21-74-23-25-75-24-22-73-20-8-18-51)61-48(70)39(27-33-10-6-5-7-11-33)59-42(67)30-55-40(65)17-16-37(49(71)72-4)60-46(68)34-12-14-36(15-13-34)64(3)31-35-28-56-45-43(58-35)44(52)62-50(53)63-45/h5-7,10-15,28,32,37-39H,8-9,16-27,29-31,51H2,1-4H3,(H,54,66)(H,55,65)(H,57,69)(H,59,67)(H,60,68)(H,61,70)(H4,52,53,56,62,63)/t37-,38-,39-/m0/s1"	COC(=O)[C@H](CCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NCCCOCCOCCOCCCN)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1	COC(=O)C(CCC(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)NCC(=O)NCCCOCCOCCOCCCN)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1	WZSCZSNCQUKHBV-IGMOWHQGSA-N	.							
PDC_01369	Tetrapeptide 23 - Methotrexate conjugate 2	18	34	"InChI=1S/C52H68N14O11/c1-66(32-36-31-58-46-44(59-36)45(55)64-52(56)65-46)37-16-14-35(15-17-37)47(70)60-38(18-19-43(68)69)49(72)63-41(30-42(54)67)51(74)62-40(29-34-12-6-3-7-13-34)50(73)61-39(28-33-10-4-2-5-11-33)48(71)57-21-9-23-76-25-27-77-26-24-75-22-8-20-53/h2-7,10-17,31,38-41H,8-9,18-30,32,53H2,1H3,(H2,54,67)(H,57,71)(H,60,70)(H,61,73)(H,62,74)(H,63,72)(H,68,69)(H4,55,56,58,64,65)/t38-,39-,40-,41-/m0/s1"	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOCCOCCOCCCN)cc1	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)NC(CC(N)=O)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2ccccc2)C(=O)NCCCOCCOCCOCCCN)cc1	WNWYLBQKQYBZAX-MFDNGWNGSA-N	.							
PDC_01370	"Tripeptide 69 - 3-Methoxyestra-1,3,5(10),16-tetraeno[17,16-d]pyrimidin-2-amine conjugate"	9	14	"InChI=1S/C48H58N6O6S/c1-29(50-42(55)30(2)51-46(58)60-47(3,4)5)43(56)52-40(28-61-27-32-15-11-8-12-16-32)44(57)54-45-49-25-34-24-39-38-19-17-33-23-35(59-26-31-13-9-7-10-14-31)18-20-36(33)37(38)21-22-48(39,6)41(34)53-45/h7-16,18,20,23,25,29-30,37-40H,17,19,21-22,24,26-28H2,1-6H3,(H,50,55)(H,51,58)(H,52,56)(H,49,53,54,57)/t29-,30-,37+,38+,39-,40-,48-/m0/s1"	C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ncc2c(n1)[C@@]1(C)CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@@H]1C2	CC(NC(=O)OC(C)(C)C)C(=O)NC(C)C(=O)NC(CSCc1ccccc1)C(=O)Nc1ncc2c(n1)C1(C)CCC3c4ccc(OCc5ccccc5)cc4CCC3C1C2	DZMGZJVXSGQOQP-DGLNRLMGSA-N	.							
PDC_01371	"Tetrapeptide 24 - 3-Methoxyestra-1,3,5(10),16-tetraeno[17,16-d]pyrimidin-2-amine conjugate"	10	18	"InChI=1S/C55H64N6O8/c1-35(57-50(63)47(59-53(65)69-54(2,3)4)34-67-31-37-17-11-7-12-18-37)49(62)58-46(33-66-30-36-15-9-6-10-16-36)51(64)61-52-56-29-40-28-45-44-23-21-39-27-41(68-32-38-19-13-8-14-20-38)22-24-42(39)43(44)25-26-55(45,5)48(40)60-52/h6-20,22,24,27,29,35,43-47H,21,23,25-26,28,30-34H2,1-5H3,(H,57,63)(H,58,62)(H,59,65)(H,56,60,61,64)/t35-,43+,44+,45-,46-,47-,55-/m0/s1"	C[C@H](NC(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](COCc1ccccc1)C(=O)Nc1ncc2c(n1)[C@@]1(C)CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@@H]1C2	CC(NC(=O)C(COCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(COCc1ccccc1)C(=O)Nc1ncc2c(n1)C1(C)CCC3c4ccc(OCc5ccccc5)cc4CCC3C1C2	AZMLMSNKKGIRBZ-PUGZCKGKSA-N	.							
PDC_01372	"Tetrapeptide 25 - 3-Methoxyestra-1,3,5(10),16-tetraeno[17,16-d]pyrimidin-2-amine conjugate"	10	18	"InChI=1S/C54H62N6O8/c1-53(2,3)68-52(64)58-45(33-65-30-35-14-8-5-9-15-35)49(62)55-29-47(61)57-46(34-66-31-36-16-10-6-11-17-36)50(63)60-51-56-28-39-27-44-43-22-20-38-26-40(67-32-37-18-12-7-13-19-37)21-23-41(38)42(43)24-25-54(44,4)48(39)59-51/h5-19,21,23,26,28,42-46H,20,22,24-25,27,29-34H2,1-4H3,(H,55,62)(H,57,61)(H,58,64)(H,56,59,60,63)/t42-,43-,44+,45+,46+,54+/m1/s1"	CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)NCC(=O)N[C@@H](COCc1ccccc1)C(=O)Nc1ncc2c(n1)[C@@]1(C)CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@@H]1C2	CC(C)(C)OC(=O)NC(COCc1ccccc1)C(=O)NCC(=O)NC(COCc1ccccc1)C(=O)Nc1ncc2c(n1)C1(C)CCC3c4ccc(OCc5ccccc5)cc4CCC3C1C2	NZBSKXDASFXZDC-AOKGJULRSA-N	.							
PDC_01373	"Tripeptide 70 - 3-Methoxyestra-1,3,5(10),16-tetraeno[17,16-d]pyrimidin-2-amine conjugate"	9	17	"InChI=1S/C49H54N6O5S/c1-49-22-21-39-38-20-18-37(60-28-33-13-7-3-8-14-33)23-35(38)17-19-40(39)41(49)24-36-25-52-48(54-45(36)49)55-47(58)43(31-61-30-34-15-9-4-10-16-34)53-44(56)26-51-46(57)42(50)29-59-27-32-11-5-2-6-12-32/h2-16,18,20,23,25,39-43H,17,19,21-22,24,26-31,50H2,1H3,(H,51,57)(H,53,56)(H,52,54,55,58)/t39-,40-,41+,42+,43+,49+/m1/s1"	C[C@]12CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@@H]1Cc1cnc(NC(=O)[C@H](CSCc3ccccc3)NC(=O)CNC(=O)[C@@H](N)COCc3ccccc3)nc12	CC12CCC3c4ccc(OCc5ccccc5)cc4CCC3C1Cc1cnc(NC(=O)C(CSCc3ccccc3)NC(=O)CNC(=O)C(N)COCc3ccccc3)nc12	HHSMVWZPEZWOQU-LJBYADJVSA-N	.							
PDC_01374	"Tripeptide 71 - 3-(Phenylmethoxy)estra-1,3,5(10),16-tetraeno[17,16-d]pyrimidin-2-amine conjugate"	9	17	"InChI=1S/C50H56N6O6/c1-32(53-47(58)43(51)30-60-27-33-12-6-3-7-13-33)46(57)54-44(31-61-28-34-14-8-4-9-15-34)48(59)56-49-52-26-37-25-42-41-20-18-36-24-38(62-29-35-16-10-5-11-17-35)19-21-39(36)40(41)22-23-50(42,2)45(37)55-49/h3-17,19,21,24,26,32,40-44H,18,20,22-23,25,27-31,51H2,1-2H3,(H,53,58)(H,54,57)(H,52,55,56,59)/t32-,40+,41+,42-,43-,44-,50-/m0/s1"	C[C@H](NC(=O)[C@@H](N)COCc1ccccc1)C(=O)N[C@@H](COCc1ccccc1)C(=O)Nc1ncc2c(n1)[C@@]1(C)CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@@H]1C2	CC(NC(=O)C(N)COCc1ccccc1)C(=O)NC(COCc1ccccc1)C(=O)Nc1ncc2c(n1)C1(C)CCC3c4ccc(OCc5ccccc5)cc4CCC3C1C2	DZFDHULFMMAMGW-XLFIRYFKSA-N	.							
PDC_01375	"Tripeptide 72 - 3-(Phenylmethoxy)estra-1,3,5(10),16-tetraeno[17,16-d]pyrimidin-2-amine conjugate"	9	17	"InChI=1S/C49H54N6O6/c1-49-22-21-39-38-20-18-37(61-29-34-15-9-4-10-16-34)23-35(38)17-19-40(39)41(49)24-36-25-52-48(54-45(36)49)55-47(58)43(31-60-28-33-13-7-3-8-14-33)53-44(56)26-51-46(57)42(50)30-59-27-32-11-5-2-6-12-32/h2-16,18,20,23,25,39-43H,17,19,21-22,24,26-31,50H2,1H3,(H,51,57)(H,53,56)(H,52,54,55,58)/t39-,40-,41+,42+,43+,49+/m1/s1"	C[C@]12CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@@H]1Cc1cnc(NC(=O)[C@H](COCc3ccccc3)NC(=O)CNC(=O)[C@@H](N)COCc3ccccc3)nc12	CC12CCC3c4ccc(OCc5ccccc5)cc4CCC3C1Cc1cnc(NC(=O)C(COCc3ccccc3)NC(=O)CNC(=O)C(N)COCc3ccccc3)nc12	JJTPKBKIDFOHSX-LJBYADJVSA-N	.							
PDC_01376	"Tetrapeptide 25 - 3-(Phenylmethoxy)estra-1,3,5(10),16-tetraeno[17,16-d]pyrimidin-2-amine conjugate"	10	18	"InChI=1S/C54H62N6O7S/c1-53(2,3)67-52(64)58-45(32-65-30-35-14-8-5-9-15-35)49(62)55-29-47(61)57-46(34-68-33-37-18-12-7-13-19-37)50(63)60-51-56-28-39-27-44-43-22-20-38-26-40(66-31-36-16-10-6-11-17-36)21-23-41(38)42(43)24-25-54(44,4)48(39)59-51/h5-19,21,23,26,28,42-46H,20,22,24-25,27,29-34H2,1-4H3,(H,55,62)(H,57,61)(H,58,64)(H,56,59,60,63)/t42-,43-,44+,45+,46+,54+/m1/s1"	CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)NCC(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ncc2c(n1)[C@@]1(C)CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@@H]1C2	CC(C)(C)OC(=O)NC(COCc1ccccc1)C(=O)NCC(=O)NC(CSCc1ccccc1)C(=O)Nc1ncc2c(n1)C1(C)CCC3c4ccc(OCc5ccccc5)cc4CCC3C1C2	ZVTWNGSOJBNBPM-AOKGJULRSA-N	.							
PDC_01377	EVTCVVVD - Biotin conjugate 1	21	48	"InChI=1S/C59H100N14O21S2/c1-29(2)45(54(86)65-36(51(60)83)23-44(81)82)70-56(88)48(32(7)8)71-55(87)46(30(3)4)69-53(85)38(26-95-28-63-34(10)75)66-58(90)49(33(9)74)72-57(89)47(31(5)6)68-52(84)35(15-16-43(79)80)64-42(78)25-94-22-20-92-19-21-93-24-41(77)62-18-17-61-40(76)14-12-11-13-39-50-37(27-96-39)67-59(91)73-50/h29-33,35-39,45-50,74H,11-28H2,1-10H3,(H2,60,83)(H,61,76)(H,62,77)(H,63,75)(H,64,78)(H,65,86)(H,66,90)(H,68,84)(H,69,85)(H,70,88)(H,71,87)(H,72,89)(H,79,80)(H,81,82)(H2,67,73,91)/t33-,35+,36+,37+,38+,39+,45+,46+,47+,48+,49+,50+/m1/s1"	CC(=O)NCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)COCCOCCOCC(=O)NCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(C)C)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(N)=O)C(C)C)C(C)C)C(C)C	CC(=O)NCSCC(NC(=O)C(NC(=O)C(NC(=O)C(CCC(=O)O)NC(=O)COCCOCCOCC(=O)NCCNC(=O)CCCCC1SCC2NC(=O)NC21)C(C)C)C(C)O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CC(=O)O)C(N)=O)C(C)C)C(C)C)C(C)C	IGPRCNRQRCCVMN-ZPFBPUMOSA-N	.							
PDC_01378	EVTCVVVD - Biotin conjugate 2	17	41	"InChI=1S/C55H93N13O17S2/c1-26(2)41(50(80)60-33(47(56)77)22-40(75)76)65-52(82)44(29(7)8)66-51(81)42(27(3)4)64-49(79)35(23-86-25-58-31(10)70)61-54(84)45(30(9)69)67-53(83)43(28(5)6)63-48(78)32(19-20-39(73)74)59-38(72)18-12-11-15-21-57-37(71)17-14-13-16-36-46-34(24-87-36)62-55(85)68-46/h26-30,32-36,41-46,69H,11-25H2,1-10H3,(H2,56,77)(H,57,71)(H,58,70)(H,59,72)(H,60,80)(H,61,84)(H,63,78)(H,64,79)(H,65,82)(H,66,81)(H,67,83)(H,73,74)(H,75,76)(H2,62,68,85)/t30-,32+,33+,34+,35+,36+,41+,42+,43+,44+,45+,46+/m1/s1"	CC(=O)NCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(C)C)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(N)=O)C(C)C)C(C)C)C(C)C	CC(=O)NCSCC(NC(=O)C(NC(=O)C(NC(=O)C(CCC(=O)O)NC(=O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC21)C(C)C)C(C)O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CC(=O)O)C(N)=O)C(C)C)C(C)C)C(C)C	MBJMKMPUHYGESM-YHXMAEBLSA-N	.							
PDC_01379	EVTCVVVD - Biotin conjugate 3	16	35	"InChI=1S/C49H82N12O16S2/c1-21(2)35(44(72)53-28(41(50)69)17-34(67)68)58-46(74)38(24(7)8)59-45(73)36(22(3)4)57-43(71)30(18-78-20-51-26(10)63)54-48(76)39(25(9)62)60-47(75)37(23(5)6)56-42(70)27(15-16-33(65)66)52-32(64)14-12-11-13-31-40-29(19-79-31)55-49(77)61-40/h21-25,27-31,35-40,62H,11-20H2,1-10H3,(H2,50,69)(H,51,63)(H,52,64)(H,53,72)(H,54,76)(H,56,70)(H,57,71)(H,58,74)(H,59,73)(H,60,75)(H,65,66)(H,67,68)(H2,55,61,77)/t25-,27+,28+,29+,30+,31+,35+,36+,37+,38+,39+,40+/m1/s1"	CC(=O)NCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(C)C)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(N)=O)C(C)C)C(C)C)C(C)C	CC(=O)NCSCC(NC(=O)C(NC(=O)C(NC(=O)C(CCC(=O)O)NC(=O)CCCCC1SCC2NC(=O)NC21)C(C)C)C(C)O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CC(=O)O)C(N)=O)C(C)C)C(C)C)C(C)C	HDNKUPYDKPFMBD-MPQJKLDDSA-N	.							
PDC_01380	AXAXQAXAX - N-[2-[2-(4-Nitrophenyl)ethynyl]-5-(2-phenylethynyl)phenyl]acetamide conjugate	16	28	"InChI=1S/C64H83N11O14S2/c1-38(65-50(76)22-18-17-21-47-35-36-90-91-47)52(78)71-61(5,6)57(83)67-40(3)54(80)73-63(9,10)59(85)70-48(56(82)66-39(2)53(79)72-62(7,8)58(84)68-41(4)55(81)74-64(11,12)60(86)89-13)33-34-51(77)69-49-37-44(24-23-42-19-15-14-16-20-42)26-30-45(49)29-25-43-27-31-46(32-28-43)75(87)88/h14-16,19-20,26-28,30-32,37-41,47-48H,17-18,21-22,33-36H2,1-13H3,(H,65,76)(H,66,82)(H,67,83)(H,68,84)(H,69,77)(H,70,85)(H,71,78)(H,72,79)(H,73,80)(H,74,81)/t38-,39-,40-,41-,47?,48-/m0/s1"	COC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)Nc1cc(C#Cc2ccccc2)ccc1C#Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)CCCCC1CCSS1	COC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(CCC(=O)Nc1cc(C#Cc2ccccc2)ccc1C#Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)CCCCC1CCSS1	SAUNVAJXRRNXDE-ICKFMFMCSA-N	.							
PDC_01381	QAXAX - N-[2-[2-(4-Nitrophenyl)ethynyl]-5-(2-phenylethynyl)phenyl]acetamide conjugate	11	15	"InChI=1S/C47H55N7O11/c1-29(39(56)52-46(6,7)42(59)49-30(2)40(57)53-47(8,9)43(60)64-10)48-41(58)36(51-44(61)65-45(3,4)5)26-27-38(55)50-37-28-33(17-16-31-14-12-11-13-15-31)19-23-34(37)22-18-32-20-24-35(25-21-32)54(62)63/h11-15,19-21,23-25,28-30,36H,26-27H2,1-10H3,(H,48,58)(H,49,59)(H,50,55)(H,51,61)(H,52,56)(H,53,57)/t29-,30-,36-/m0/s1"	COC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)Nc1cc(C#Cc2ccccc2)ccc1C#Cc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C	COC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(CCC(=O)Nc1cc(C#Cc2ccccc2)ccc1C#Cc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C	OVJJSVYJRVNNGP-ABCZBHHISA-N	.							
PDC_01382	Tetrapeptide 26 - Estradiol conjugate 1	15	35	"InChI=1S/C62H82N14O16/c1-62-23-22-39-38-19-17-37(28-36(38)16-18-40(39)41(62)20-21-48(62)77)92-33-51(80)71-42(14-8-24-67-60(63)64)54(85)69-31-49(78)72-45(29-52(81)82)57(88)75-44(26-34-10-4-2-5-11-34)56(87)74-43(15-9-25-68-61(65)66)55(86)70-32-50(79)73-46(30-53(83)84)58(89)76-47(59(90)91)27-35-12-6-3-7-13-35/h2-7,10-13,17,19,28,39-47H,8-9,14-16,18,20-27,29-33H2,1H3,(H,69,85)(H,70,86)(H,71,80)(H,72,78)(H,73,79)(H,74,87)(H,75,88)(H,76,89)(H,81,82)(H,83,84)(H,90,91)(H4,63,64,67)(H4,65,66,68)/t39-,40-,41+,42+,43+,44+,45+,46+,47+,62+/m1/s1"	C[C@]12CC[C@@H]3c4ccc(OCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc5ccccc5)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc5ccccc5)C(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O	CC12CCC3c4ccc(OCC(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(Cc5ccccc5)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(Cc5ccccc5)C(=O)O)cc4CCC3C1CCC2=O	OUAMZKQMFJFJNC-DWOFCKEMSA-N	.							
PDC_01383	Tetrapeptide 27 - Estradiol conjugate 1	15	33	"InChI=1S/C54H82N14O16/c1-26(2)44(50(81)66-35(9-7-19-60-53(57)58)47(78)62-24-40(71)65-37(22-43(75)76)49(80)68-45(27(3)4)51(82)83)67-48(79)36(21-42(73)74)64-39(70)23-61-46(77)34(8-6-18-59-52(55)56)63-41(72)25-84-29-11-13-30-28(20-29)10-12-32-31(30)16-17-54(5)33(32)14-15-38(54)69/h11,13,20,26-27,31-37,44-45H,6-10,12,14-19,21-25H2,1-5H3,(H,61,77)(H,62,78)(H,63,72)(H,64,70)(H,65,71)(H,66,81)(H,67,79)(H,68,80)(H,73,74)(H,75,76)(H,82,83)(H4,55,56,59)(H4,57,58,60)/t31-,32-,33+,34+,35+,36+,37+,44+,45+,54+/m1/s1"	CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12)C(C)C)C(=O)O	CC(C)C(NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)COc1ccc2c(c1)CCC1C2CCC2(C)C(=O)CCC12)C(C)C)C(=O)O	SCVAPDYJNIABQB-GEYJGNMHSA-N	.							
PDC_01384	Tetrapeptide 26 - Estradiol conjugate 2	17	33	"InChI=1S/C50H74N14O18/c1-50-13-12-27-26-9-7-25(16-24(26)6-8-28(27)29(50)10-11-36(50)67)82-23-39(70)59-30(4-2-14-55-48(51)52)42(75)57-19-37(68)60-32(17-40(71)72)44(77)63-34(21-65)46(79)62-31(5-3-15-56-49(53)54)43(76)58-20-38(69)61-33(18-41(73)74)45(78)64-35(22-66)47(80)81/h7,9,16,27-35,65-66H,2-6,8,10-15,17-23H2,1H3,(H,57,75)(H,58,76)(H,59,70)(H,60,68)(H,61,69)(H,62,79)(H,63,77)(H,64,78)(H,71,72)(H,73,74)(H,80,81)(H4,51,52,55)(H4,53,54,56)/t27-,28-,29+,30+,31+,32+,33+,34+,35+,50+/m1/s1"	C[C@]12CC[C@@H]3c4ccc(OCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O	CC12CCC3c4ccc(OCC(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)O)cc4CCC3C1CCC2=O	WVWHGVPTIRXMFZ-BXQIUQQSSA-N	.							
PDC_01385	Tetrapeptide 28 - Estradiol conjugate 1	17	39	"InChI=1S/C66H88N14O19/c1-66-25-24-41-40-19-17-39(98-35-54(84)76-45(15-9-27-72-65(69)70)59(91)74-34-53(83)78-47(32-56(87)88)61(93)80-49(63(96)97)29-37-12-6-3-7-13-37)30-38(40)16-18-42(41)43(66)20-21-50(66)99-57(89)23-22-51(81)75-44(14-8-26-71-64(67)68)58(90)73-33-52(82)77-46(31-55(85)86)60(92)79-48(62(94)95)28-36-10-4-2-5-11-36/h2-7,10-13,17,19,30,41-50H,8-9,14-16,18,20-29,31-35H2,1H3,(H,73,90)(H,74,91)(H,75,81)(H,76,84)(H,77,82)(H,78,83)(H,79,92)(H,80,93)(H,85,86)(H,87,88)(H,94,95)(H,96,97)(H4,67,68,71)(H4,69,70,72)/t41-,42-,43+,44+,45+,46+,47+,48+,49+,50+,66+/m1/s1"	C[C@]12CC[C@@H]3c4ccc(OCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc5ccccc5)C(=O)O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	CC12CCC3c4ccc(OCC(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(Cc5ccccc5)C(=O)O)cc4CCC3C1CCC2OC(=O)CCC(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)O	VDXJDRUSZRHJQJ-ANBONMNPSA-N	.							
PDC_01386	Tetrapeptide 26 - Estradiol conjugate 3	17	37	"InChI=1S/C58H88N14O19/c1-28(2)48(54(86)87)71-52(84)38(23-45(77)78)69-42(74)25-65-50(82)36(8-6-20-63-56(59)60)67-41(73)16-17-47(81)91-40-15-14-35-34-12-10-30-22-31(11-13-32(30)33(34)18-19-58(35,40)5)90-27-44(76)68-37(9-7-21-64-57(61)62)51(83)66-26-43(75)70-39(24-46(79)80)53(85)72-49(29(3)4)55(88)89/h11,13,22,28-29,33-40,48-49H,6-10,12,14-21,23-27H2,1-5H3,(H,65,82)(H,66,83)(H,67,73)(H,68,76)(H,69,74)(H,70,75)(H,71,84)(H,72,85)(H,77,78)(H,79,80)(H,86,87)(H,88,89)(H4,59,60,63)(H4,61,62,64)/t33-,34-,35+,36+,37+,38+,39+,40+,48+,49+,58+/m1/s1"	CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(OCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)O)C(C)C)ccc4[C@H]3CC[C@]12C)C(=O)O	CC(C)C(NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)CCC(=O)OC1CCC2C3CCc4cc(OCC(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(C(=O)O)C(C)C)ccc4C3CCC12C)C(=O)O	QFOOAZASHYCHMN-JHNKEAEBSA-N	.							
PDC_01387	Tetrapeptide 27 - Estradiol conjugate 2	19	37	"InChI=1S/C54H80N14O21/c1-54-15-14-29-28-9-7-27(88-25-42(74)64-33(5-3-17-60-53(57)58)47(81)62-22-41(73)66-35(20-44(77)78)49(83)68-37(24-70)51(86)87)18-26(28)6-8-30(29)31(54)10-11-38(54)89-45(79)13-12-39(71)63-32(4-2-16-59-52(55)56)46(80)61-21-40(72)65-34(19-43(75)76)48(82)67-36(23-69)50(84)85/h7,9,18,29-38,69-70H,2-6,8,10-17,19-25H2,1H3,(H,61,80)(H,62,81)(H,63,71)(H,64,74)(H,65,72)(H,66,73)(H,67,82)(H,68,83)(H,75,76)(H,77,78)(H,84,85)(H,86,87)(H4,55,56,59)(H4,57,58,60)/t29-,30-,31+,32+,33+,34+,35+,36+,37+,38+,54+/m1/s1"	C[C@]12CC[C@@H]3c4ccc(OCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O	CC12CCC3c4ccc(OCC(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)O)cc4CCC3C1CCC2OC(=O)CCC(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)O	ZTZMQYKNCWDFLZ-LGBKTZRRSA-N	.							
PDC_01388	RGDFRGDF - Estradiol conjugate 1	22	43	"InChI=1S/C83H98N16O20/c1-83-38-37-60-59-34-32-58(43-57(59)31-33-61(60)62(83)35-36-69(83)100)116-51-72(103)90-63(29-17-39-86-81(84)96-98(112)113)75(106)88-46-70(101)91-66(44-73(104)117-48-54-23-11-4-12-24-54)78(109)94-65(41-52-19-7-2-8-20-52)77(108)93-64(30-18-40-87-82(85)97-99(114)115)76(107)89-47-71(102)92-67(45-74(105)118-49-55-25-13-5-14-26-55)79(110)95-68(42-53-21-9-3-10-22-53)80(111)119-50-56-27-15-6-16-28-56/h2-16,19-28,32,34,43,60-68H,17-18,29-31,33,35-42,44-51H2,1H3,(H,88,106)(H,89,107)(H,90,103)(H,91,101)(H,92,102)(H,93,108)(H,94,109)(H,95,110)(H3,84,86,96)(H3,85,87,97)/t60-,61-,62+,63+,64+,65+,66+,67+,68+,83+/m1/s1"	C[C@]12CC[C@@H]3c4ccc(OCC(=O)N[C@@H](CCCNC(=N)N[N+](=O)[O-])C(=O)NCC(=O)N[C@@H](CC(=O)OCc5ccccc5)C(=O)N[C@@H](Cc5ccccc5)C(=O)N[C@@H](CCCNC(=N)N[N+](=O)[O-])C(=O)NCC(=O)N[C@@H](CC(=O)OCc5ccccc5)C(=O)N[C@@H](Cc5ccccc5)C(=O)OCc5ccccc5)cc4CC[C@H]3[C@@H]1CCC2=O	CC12CCC3c4ccc(OCC(=O)NC(CCCNC(=N)N[N+](=O)[O-])C(=O)NCC(=O)NC(CC(=O)OCc5ccccc5)C(=O)NC(Cc5ccccc5)C(=O)NC(CCCNC(=N)N[N+](=O)[O-])C(=O)NCC(=O)NC(CC(=O)OCc5ccccc5)C(=O)NC(Cc5ccccc5)C(=O)OCc5ccccc5)cc4CCC3C1CCC2=O	AJIYCCKLTKROIN-USBIEDOOSA-N	.							
PDC_01389	RGDFRGDF - Estradiol conjugate 9	22	41	"InChI=1S/C75H98N16O20/c1-44(2)65(71(102)85-56(24-16-34-79-74(77)89-91(106)107)68(99)81-39-61(94)84-58(37-64(97)110-41-47-19-11-7-12-20-47)70(101)87-66(45(3)4)72(103)111-42-48-21-13-8-14-22-48)86-69(100)57(36-63(96)109-40-46-17-9-6-10-18-46)83-60(93)38-80-67(98)55(23-15-33-78-73(76)88-90(104)105)82-62(95)43-108-50-26-28-51-49(35-50)25-27-53-52(51)31-32-75(5)54(53)29-30-59(75)92/h6-14,17-22,26,28,35,44-45,52-58,65-66H,15-16,23-25,27,29-34,36-43H2,1-5H3,(H,80,98)(H,81,99)(H,82,95)(H,83,93)(H,84,94)(H,85,102)(H,86,100)(H,87,101)(H3,76,78,88)(H3,77,79,89)/t52-,53-,54+,55+,56+,57+,58+,65+,66+,75+/m1/s1"	CC(C)[C@H](NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)CNC(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])NC(=O)COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12)C(=O)N[C@@H](CCCNC(=N)N[N+](=O)[O-])C(=O)NCC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)OCc1ccccc1)C(C)C	CC(C)C(NC(=O)C(CC(=O)OCc1ccccc1)NC(=O)CNC(=O)C(CCCNC(=N)N[N+](=O)[O-])NC(=O)COc1ccc2c(c1)CCC1C2CCC2(C)C(=O)CCC12)C(=O)NC(CCCNC(=N)N[N+](=O)[O-])C(=O)NCC(=O)NC(CC(=O)OCc1ccccc1)C(=O)NC(C(=O)OCc1ccccc1)C(C)C	HRRDDJHWCGQZJO-VSRYKOTRSA-N	.							
PDC_01390	RGDFRGDF - Estradiol conjugate 5	24	47	"InChI=1S/C85H102N16O22/c1-85-38-37-62-61-34-32-60(41-59(61)31-33-63(62)64(85)35-36-71(85)102)120-53-74(105)92-65(29-17-39-88-83(86)98-100(114)115)77(108)90-44-72(103)93-67(42-75(106)121-48-56-23-11-4-12-24-56)79(110)96-69(51-118-46-54-19-7-2-8-20-54)81(112)95-66(30-18-40-89-84(87)99-101(116)117)78(109)91-45-73(104)94-68(43-76(107)122-49-57-25-13-5-14-26-57)80(111)97-70(52-119-47-55-21-9-3-10-22-55)82(113)123-50-58-27-15-6-16-28-58/h2-16,19-28,32,34,41,62-70H,17-18,29-31,33,35-40,42-53H2,1H3,(H,90,108)(H,91,109)(H,92,105)(H,93,103)(H,94,104)(H,95,112)(H,96,110)(H,97,111)(H3,86,88,98)(H3,87,89,99)/t62-,63-,64+,65+,66+,67+,68+,69+,70+,85+/m1/s1"	C[C@]12CC[C@@H]3c4ccc(OCC(=O)N[C@@H](CCCNC(=N)N[N+](=O)[O-])C(=O)NCC(=O)N[C@@H](CC(=O)OCc5ccccc5)C(=O)N[C@@H](COCc5ccccc5)C(=O)N[C@@H](CCCNC(=N)N[N+](=O)[O-])C(=O)NCC(=O)N[C@@H](CC(=O)OCc5ccccc5)C(=O)N[C@@H](COCc5ccccc5)C(=O)OCc5ccccc5)cc4CC[C@H]3[C@@H]1CCC2=O	CC12CCC3c4ccc(OCC(=O)NC(CCCNC(=N)N[N+](=O)[O-])C(=O)NCC(=O)NC(CC(=O)OCc5ccccc5)C(=O)NC(COCc5ccccc5)C(=O)NC(CCCNC(=N)N[N+](=O)[O-])C(=O)NCC(=O)NC(CC(=O)OCc5ccccc5)C(=O)NC(COCc5ccccc5)C(=O)OCc5ccccc5)cc4CCC3C1CCC2=O	YLBHXWYXMAIZOX-BAAKMJAZSA-N	.							
PDC_01391	Tetrapeptide 29 - Estradiol conjugate	25	49	"InChI=1S/C94H110N16O23/c1-94-45-44-69-68-39-37-67(128-59-82(114)102-73(35-21-47-98-93(96)108-110(126)127)87(119)100-54-81(113)104-75(52-85(117)130-56-63-28-14-5-15-29-63)89(121)106-77(49-61-24-10-3-11-25-61)91(123)132-58-65-32-18-7-19-33-65)50-66(68)36-38-70(69)71(94)40-41-78(94)133-83(115)43-42-79(111)101-72(34-20-46-97-92(95)107-109(124)125)86(118)99-53-80(112)103-74(51-84(116)129-55-62-26-12-4-13-27-62)88(120)105-76(48-60-22-8-2-9-23-60)90(122)131-57-64-30-16-6-17-31-64/h2-19,22-33,37,39,50,69-78H,20-21,34-36,38,40-49,51-59H2,1H3,(H,99,118)(H,100,119)(H,101,111)(H,102,114)(H,103,112)(H,104,113)(H,105,120)(H,106,121)(H3,95,97,107)(H3,96,98,108)/t69-,70-,71+,72+,73+,74+,75+,76+,77+,78+,94+/m1/s1"	C[C@]12CC[C@@H]3c4ccc(OCC(=O)N[C@@H](CCCNC(=N)N[N+](=O)[O-])C(=O)NCC(=O)N[C@@H](CC(=O)OCc5ccccc5)C(=O)N[C@@H](Cc5ccccc5)C(=O)OCc5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC(=O)N[C@@H](CCCNC(=N)N[N+](=O)[O-])C(=O)NCC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1	CC12CCC3c4ccc(OCC(=O)NC(CCCNC(=N)N[N+](=O)[O-])C(=O)NCC(=O)NC(CC(=O)OCc5ccccc5)C(=O)NC(Cc5ccccc5)C(=O)OCc5ccccc5)cc4CCC3C1CCC2OC(=O)CCC(=O)NC(CCCNC(=N)N[N+](=O)[O-])C(=O)NCC(=O)NC(CC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)OCc1ccccc1	UTDPVSFLEFSAGC-KGQUKYABSA-N	.							
PDC_01392	Tetrapeptide 27 - Estradiol conjugate 3	14	26	"InChI=1S/C56H68N8O13/c1-56-26-25-42-41-22-20-40(28-39(41)19-21-43(42)44(56)23-24-48(56)65)75-35-50(67)60-45(18-11-27-58-55(57)63-64(72)73)52(69)59-30-49(66)61-46(29-51(68)76-32-37-14-7-3-8-15-37)53(70)62-47(34-74-31-36-12-5-2-6-13-36)54(71)77-33-38-16-9-4-10-17-38/h2-10,12-17,20,22,28,42-48,65H,11,18-19,21,23-27,29-35H2,1H3,(H,59,69)(H,60,67)(H,61,66)(H,62,70)(H3,57,58,63)/t42-,43-,44+,45+,46+,47+,48+,56+/m1/s1"	C[C@]12CC[C@@H]3c4ccc(OCC(=O)N[C@@H](CCCNC(=N)N[N+](=O)[O-])C(=O)NCC(=O)N[C@@H](CC(=O)OCc5ccccc5)C(=O)N[C@@H](COCc5ccccc5)C(=O)OCc5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O	CC12CCC3c4ccc(OCC(=O)NC(CCCNC(=N)N[N+](=O)[O-])C(=O)NCC(=O)NC(CC(=O)OCc5ccccc5)C(=O)NC(COCc5ccccc5)C(=O)OCc5ccccc5)cc4CCC3C1CCC2O	ZQBUBPKKRQTKEM-FRCGWLJJSA-N	.							
PDC_01393	Tetrapeptide 28 - Estradiol conjugate 2	9	19	"InChI=1S/C41H53N7O10/c1-41-16-15-27-26-12-10-25(19-24(26)9-11-28(27)29(41)13-14-33(41)49)58-22-35(51)46-30(8-5-17-44-40(42)43)37(54)45-21-34(50)47-31(20-36(52)53)38(55)48-32(39(56)57)18-23-6-3-2-4-7-23/h2-4,6-7,10,12,19,27-32H,5,8-9,11,13-18,20-22H2,1H3,(H,45,54)(H,46,51)(H,47,50)(H,48,55)(H,52,53)(H,56,57)(H4,42,43,44)/t27-,28-,29+,30+,31+,32+,41+/m1/s1"	C[C@]12CC[C@@H]3c4ccc(OCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc5ccccc5)C(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O	CC12CCC3c4ccc(OCC(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(Cc5ccccc5)C(=O)O)cc4CCC3C1CCC2=O	QKPHDZJMJRICNH-YISOEFBASA-N	.							
PDC_01394	Tetrapeptide 26 - Estradiol conjugate 4	9	18	"InChI=1S/C37H55N7O10/c1-19(2)32(35(52)53)44-34(51)27(16-31(48)49)43-29(46)17-41-33(50)26(5-4-14-40-36(38)39)42-30(47)18-54-21-7-9-22-20(15-21)6-8-24-23(22)12-13-37(3)25(24)10-11-28(37)45/h7,9,15,19,23-28,32,45H,4-6,8,10-14,16-18H2,1-3H3,(H,41,50)(H,42,47)(H,43,46)(H,44,51)(H,48,49)(H,52,53)(H4,38,39,40)/t23-,24-,25+,26+,27+,28+,32+,37+/m1/s1"	CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12)C(=O)O	CC(C)C(NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)COc1ccc2c(c1)CCC1C2CCC2(C)C(O)CCC12)C(=O)O	ZISOEAVJEHQZSO-VUIWUGGPSA-N	.							
PDC_01395	Tetrapeptide 27 - Estradiol conjugate 4	10	18	"InChI=1S/C35H51N7O11/c1-35-11-10-21-20-7-5-19(13-18(20)4-6-22(21)23(35)8-9-27(35)44)53-17-29(46)40-24(3-2-12-38-34(36)37)31(49)39-15-28(45)41-25(14-30(47)48)32(50)42-26(16-43)33(51)52/h5,7,13,21-27,43-44H,2-4,6,8-12,14-17H2,1H3,(H,39,49)(H,40,46)(H,41,45)(H,42,50)(H,47,48)(H,51,52)(H4,36,37,38)/t21-,22-,23+,24+,25+,26+,27+,35+/m1/s1"	C[C@]12CC[C@@H]3c4ccc(OCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O	CC12CCC3c4ccc(OCC(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)O)cc4CCC3C1CCC2O	ZUCVCNGDXQNYFU-MPSIUXPZSA-N	.							
PDC_01396	Tetrapeptide 28 - Estradiol conjugate 3	10	20	"InChI=1S/C43H57N7O11/c1-43-18-17-28-27-12-10-26(51)21-25(27)9-11-29(28)30(43)13-14-34(43)61-38(56)16-15-35(52)48-31(8-5-19-46-42(44)45)39(57)47-23-36(53)49-32(22-37(54)55)40(58)50-33(41(59)60)20-24-6-3-2-4-7-24/h2-4,6-7,10,12,21,28-34,51H,5,8-9,11,13-20,22-23H2,1H3,(H,47,57)(H,48,52)(H,49,53)(H,50,58)(H,54,55)(H,59,60)(H4,44,45,46)/t28-,29-,30+,31+,32+,33+,34+,43+/m1/s1"	C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	CC12CCC3c4ccc(O)cc4CCC3C1CCC2OC(=O)CCC(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)O	CSHMIFTUBGDSKP-UZSAAMCRSA-N	.							
PDC_01397	Tetrapeptide 26 - Estradiol conjugate 5	10	19	"InChI=1S/C39H57N7O11/c1-20(2)34(37(55)56)46-36(54)28(18-32(50)51)45-31(49)19-43-35(53)27(5-4-16-42-38(40)41)44-30(48)12-13-33(52)57-29-11-10-26-25-8-6-21-17-22(47)7-9-23(21)24(25)14-15-39(26,29)3/h7,9,17,20,24-29,34,47H,4-6,8,10-16,18-19H2,1-3H3,(H,43,53)(H,44,48)(H,45,49)(H,46,54)(H,50,51)(H,55,56)(H4,40,41,42)/t24-,25-,26+,27+,28+,29+,34+,39+/m1/s1"	CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C)C(=O)O	CC(C)C(NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)CCC(=O)OC1CCC2C3CCc4cc(O)ccc4C3CCC12C)C(=O)O	UQTMAMJMLIXIBE-QXFJFRFOSA-N	.							
PDC_01398	Tetrapeptide 27 - Estradiol conjugate 5	11	19	"InChI=1S/C37H53N7O12/c1-37-13-12-22-21-7-5-20(46)15-19(21)4-6-23(22)24(37)8-9-28(37)56-32(51)11-10-29(47)42-25(3-2-14-40-36(38)39)33(52)41-17-30(48)43-26(16-31(49)50)34(53)44-27(18-45)35(54)55/h5,7,15,22-28,45-46H,2-4,6,8-14,16-18H2,1H3,(H,41,52)(H,42,47)(H,43,48)(H,44,53)(H,49,50)(H,54,55)(H4,38,39,40)/t22-,23-,24+,25+,26+,27+,28+,37+/m1/s1"	C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O	CC12CCC3c4ccc(O)cc4CCC3C1CCC2OC(=O)CCC(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)O	CYWGVFGZHRHZFS-UKUCXORNSA-N	.							
PDC_01399	Tetrapeptide 30 - Cyclophosphamide conjugate	11	22	"InChI=1S/C39H50Cl2N7O11P/c40-16-18-48(19-17-41)60(57)47-34(15-20-59-60)46-36(53)31(22-27-11-13-29(51)14-12-27)42-35(52)30(21-26-7-3-1-4-8-26)43-37(54)32(23-49)44-38(55)33(24-50)45-39(56)58-25-28-9-5-2-6-10-28/h1-14,30-34,49-51H,15-25H2,(H,42,52)(H,43,54)(H,44,55)(H,45,56)(H,46,53)(H,47,57)/t30-,31-,32-,33-,34-,60+/m0/s1"	O=C(N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCO[P@@](=O)(N(CCCl)CCCl)N1)OCc1ccccc1	O=C(NC(CO)C(=O)NC(CO)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC1CCOP(=O)(N(CCCl)CCCl)N1)OCc1ccccc1	HSEADGBLGDLEGW-NKPIBHIJSA-N	.							
PDC_01403	RGDFRGDF - Estradiol conjugate 10	16	34	"InChI=1S/C56H86N14O17/c1-27(2)46(52(84)68-36(9-7-21-62-55(59)60)49(81)64-26-42(74)67-38(24-44(77)78)51(83)70-47(28(3)4)53(85)86)69-50(82)37(23-43(75)76)66-41(73)25-63-48(80)35(8-6-20-61-54(57)58)65-40(72)16-17-45(79)87-39-15-14-34-33-12-10-29-22-30(71)11-13-31(29)32(33)18-19-56(34,39)5/h11,13,22,27-28,32-39,46-47,71H,6-10,12,14-21,23-26H2,1-5H3,(H,63,80)(H,64,81)(H,65,72)(H,66,73)(H,67,74)(H,68,84)(H,69,82)(H,70,83)(H,75,76)(H,77,78)(H,85,86)(H4,57,58,61)(H4,59,60,62)/t32-,33-,34+,35+,36+,37+,38+,39+,46+,47+,56+/m1/s1"	CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C)C(C)C)C(=O)O	CC(C)C(NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)CCC(=O)OC1CCC2C3CCc4cc(O)ccc4C3CCC12C)C(C)C)C(=O)O	BXWXBUHOAQPPBG-MKGAORIFSA-N	.							
PDC_01404	RGDFRGDF - Estradiol conjugate 6	18	34	"InChI=1S/C52H78N14O19/c1-52-15-14-28-27-9-7-26(69)18-25(27)6-8-29(28)30(52)10-11-37(52)85-43(77)13-12-38(70)61-31(4-2-16-57-50(53)54)44(78)59-21-39(71)62-33(19-41(73)74)46(80)65-35(23-67)48(82)64-32(5-3-17-58-51(55)56)45(79)60-22-40(72)63-34(20-42(75)76)47(81)66-36(24-68)49(83)84/h7,9,18,28-37,67-69H,2-6,8,10-17,19-24H2,1H3,(H,59,78)(H,60,79)(H,61,70)(H,62,71)(H,63,72)(H,64,82)(H,65,80)(H,66,81)(H,73,74)(H,75,76)(H,83,84)(H4,53,54,57)(H4,55,56,58)/t28-,29-,30+,31+,32+,33+,34+,35+,36+,37+,52+/m1/s1"	C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O	CC12CCC3c4ccc(O)cc4CCC3C1CCC2OC(=O)CCC(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)O	LLQWXVCEYPUNDW-CQBRJZFWSA-N	.							
PDC_01405	RGDFRGDF - Estradiol conjugate 2	23	44	"InChI=1S/C85H102N16O21/c1-85-40-39-61-60-34-32-59(102)45-58(60)31-33-62(61)63(85)35-36-70(85)122-74(106)38-37-71(103)92-64(29-17-41-88-83(86)98-100(115)116)77(109)90-48-72(104)93-67(46-75(107)119-50-55-23-11-4-12-24-55)80(112)96-66(43-53-19-7-2-8-20-53)79(111)95-65(30-18-42-89-84(87)99-101(117)118)78(110)91-49-73(105)94-68(47-76(108)120-51-56-25-13-5-14-26-56)81(113)97-69(44-54-21-9-3-10-22-54)82(114)121-52-57-27-15-6-16-28-57/h2-16,19-28,32,34,45,61-70,102H,17-18,29-31,33,35-44,46-52H2,1H3,(H,90,109)(H,91,110)(H,92,103)(H,93,104)(H,94,105)(H,95,111)(H,96,112)(H,97,113)(H3,86,88,98)(H3,87,89,99)/t61-,62-,63+,64+,65+,66+,67+,68+,69+,70+,85+/m1/s1"	C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC(=O)N[C@@H](CCCNC(=N)N[N+](=O)[O-])C(=O)NCC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N[N+](=O)[O-])C(=O)NCC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1	CC12CCC3c4ccc(O)cc4CCC3C1CCC2OC(=O)CCC(=O)NC(CCCNC(=N)N[N+](=O)[O-])C(=O)NCC(=O)NC(CC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(=N)N[N+](=O)[O-])C(=O)NCC(=O)NC(CC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)OCc1ccccc1	DMNFFQSYMXDFDC-WXVGYUIWSA-N	.							
PDC_01406	RGDFRGDF - Estradiol conjugate 11	23	42	"InChI=1S/C77H102N16O21/c1-45(2)67(73(105)87-57(24-16-36-81-76(79)91-93(109)110)70(102)83-41-63(97)86-59(39-66(100)112-43-48-19-11-7-12-20-48)72(104)89-68(46(3)4)74(106)113-44-49-21-13-8-14-22-49)88-71(103)58(38-65(99)111-42-47-17-9-6-10-18-47)85-62(96)40-82-69(101)56(23-15-35-80-75(78)90-92(107)108)84-61(95)31-32-64(98)114-60-30-29-55-54-27-25-50-37-51(94)26-28-52(50)53(54)33-34-77(55,60)5/h6-14,17-22,26,28,37,45-46,53-60,67-68,94H,15-16,23-25,27,29-36,38-44H2,1-5H3,(H,82,101)(H,83,102)(H,84,95)(H,85,96)(H,86,97)(H,87,105)(H,88,103)(H,89,104)(H3,78,80,90)(H3,79,81,91)/t53-,54-,55+,56+,57+,58+,59+,60+,67+,68+,77+/m1/s1"	CC(C)[C@H](NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)CNC(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])NC(=O)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C)C(=O)N[C@@H](CCCNC(=N)N[N+](=O)[O-])C(=O)NCC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)OCc1ccccc1)C(C)C	CC(C)C(NC(=O)C(CC(=O)OCc1ccccc1)NC(=O)CNC(=O)C(CCCNC(=N)N[N+](=O)[O-])NC(=O)CCC(=O)OC1CCC2C3CCc4cc(O)ccc4C3CCC12C)C(=O)NC(CCCNC(=N)N[N+](=O)[O-])C(=O)NCC(=O)NC(CC(=O)OCc1ccccc1)C(=O)NC(C(=O)OCc1ccccc1)C(C)C	VHROEHWNSZTTAU-SYOPLLDZSA-N	.							
PDC_01407	RGDFRGDF - Estradiol conjugate 7	25	48	"InChI=1S/C87H106N16O23/c1-87-40-39-63-62-34-32-61(104)43-60(62)31-33-64(63)65(87)35-36-72(87)126-76(108)38-37-73(105)94-66(29-17-41-90-85(88)100-102(117)118)79(111)92-46-74(106)95-68(44-77(109)123-50-57-23-11-4-12-24-57)81(113)98-70(53-121-48-55-19-7-2-8-20-55)83(115)97-67(30-18-42-91-86(89)101-103(119)120)80(112)93-47-75(107)96-69(45-78(110)124-51-58-25-13-5-14-26-58)82(114)99-71(54-122-49-56-21-9-3-10-22-56)84(116)125-52-59-27-15-6-16-28-59/h2-16,19-28,32,34,43,63-72,104H,17-18,29-31,33,35-42,44-54H2,1H3,(H,92,111)(H,93,112)(H,94,105)(H,95,106)(H,96,107)(H,97,115)(H,98,113)(H,99,114)(H3,88,90,100)(H3,89,91,101)/t63-,64-,65+,66+,67+,68+,69+,70+,71+,72+,87+/m1/s1"	C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC(=O)N[C@@H](CCCNC(=N)N[N+](=O)[O-])C(=O)NCC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N[C@@H](COCc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N[N+](=O)[O-])C(=O)NCC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N[C@@H](COCc1ccccc1)C(=O)OCc1ccccc1	CC12CCC3c4ccc(O)cc4CCC3C1CCC2OC(=O)CCC(=O)NC(CCCNC(=N)N[N+](=O)[O-])C(=O)NCC(=O)NC(CC(=O)OCc1ccccc1)C(=O)NC(COCc1ccccc1)C(=O)NC(CCCNC(=N)N[N+](=O)[O-])C(=O)NCC(=O)NC(CC(=O)OCc1ccccc1)C(=O)NC(COCc1ccccc1)C(=O)OCc1ccccc1	GIIGNDQAKYDIKS-BXIJTLAQSA-N	.							
PDC_01408	RGDFRGDF - Estradiol conjugate 3	15	35	"InChI=1S/C62H84N14O16/c1-62-23-22-39-38-19-17-37(28-36(38)16-18-40(39)41(62)20-21-48(62)77)92-33-51(80)71-42(14-8-24-67-60(63)64)54(85)69-31-49(78)72-45(29-52(81)82)57(88)75-44(26-34-10-4-2-5-11-34)56(87)74-43(15-9-25-68-61(65)66)55(86)70-32-50(79)73-46(30-53(83)84)58(89)76-47(59(90)91)27-35-12-6-3-7-13-35/h2-7,10-13,17,19,28,39-48,77H,8-9,14-16,18,20-27,29-33H2,1H3,(H,69,85)(H,70,86)(H,71,80)(H,72,78)(H,73,79)(H,74,87)(H,75,88)(H,76,89)(H,81,82)(H,83,84)(H,90,91)(H4,63,64,67)(H4,65,66,68)/t39-,40-,41+,42+,43+,44+,45+,46+,47+,48+,62+/m1/s1"	C[C@]12CC[C@@H]3c4ccc(OCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc5ccccc5)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc5ccccc5)C(=O)O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O	CC12CCC3c4ccc(OCC(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(Cc5ccccc5)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(Cc5ccccc5)C(=O)O)cc4CCC3C1CCC2O	ITGDFMZQOVFGRP-RASKZYMBSA-N	.							
PDC_01409	RGDFRGDF - Estradiol conjugate 12	15	33	"InChI=1S/C54H84N14O16/c1-26(2)44(50(81)66-35(9-7-19-60-53(57)58)47(78)62-24-40(71)65-37(22-43(75)76)49(80)68-45(27(3)4)51(82)83)67-48(79)36(21-42(73)74)64-39(70)23-61-46(77)34(8-6-18-59-52(55)56)63-41(72)25-84-29-11-13-30-28(20-29)10-12-32-31(30)16-17-54(5)33(32)14-15-38(54)69/h11,13,20,26-27,31-38,44-45,69H,6-10,12,14-19,21-25H2,1-5H3,(H,61,77)(H,62,78)(H,63,72)(H,64,70)(H,65,71)(H,66,81)(H,67,79)(H,68,80)(H,73,74)(H,75,76)(H,82,83)(H4,55,56,59)(H4,57,58,60)/t31-,32-,33+,34+,35+,36+,37+,38+,44+,45+,54+/m1/s1"	CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12)C(C)C)C(=O)O	CC(C)C(NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)COc1ccc2c(c1)CCC1C2CCC2(C)C(O)CCC12)C(C)C)C(=O)O	XXZGNGVFMNNOMN-LVCZXKONSA-N	.							
PDC_01410	RGDFRGDF - Estradiol conjugate 8	17	33	"InChI=1S/C50H76N14O18/c1-50-13-12-27-26-9-7-25(16-24(26)6-8-28(27)29(50)10-11-36(50)67)82-23-39(70)59-30(4-2-14-55-48(51)52)42(75)57-19-37(68)60-32(17-40(71)72)44(77)63-34(21-65)46(79)62-31(5-3-15-56-49(53)54)43(76)58-20-38(69)61-33(18-41(73)74)45(78)64-35(22-66)47(80)81/h7,9,16,27-36,65-67H,2-6,8,10-15,17-23H2,1H3,(H,57,75)(H,58,76)(H,59,70)(H,60,68)(H,61,69)(H,62,79)(H,63,77)(H,64,78)(H,71,72)(H,73,74)(H,80,81)(H4,51,52,55)(H4,53,54,56)/t27-,28-,29+,30+,31+,32+,33+,34+,35+,36+,50+/m1/s1"	C[C@]12CC[C@@H]3c4ccc(OCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O	CC12CCC3c4ccc(OCC(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)O)cc4CCC3C1CCC2O	DOSZIOCLGQERFS-BIAXULINSA-N	.							
PDC_01411	RGDFRGDF - Estradiol conjugate 4	22	43	"InChI=1S/C83H100N16O20/c1-83-38-37-60-59-34-32-58(43-57(59)31-33-61(60)62(83)35-36-69(83)100)116-51-72(103)90-63(29-17-39-86-81(84)96-98(112)113)75(106)88-46-70(101)91-66(44-73(104)117-48-54-23-11-4-12-24-54)78(109)94-65(41-52-19-7-2-8-20-52)77(108)93-64(30-18-40-87-82(85)97-99(114)115)76(107)89-47-71(102)92-67(45-74(105)118-49-55-25-13-5-14-26-55)79(110)95-68(42-53-21-9-3-10-22-53)80(111)119-50-56-27-15-6-16-28-56/h2-16,19-28,32,34,43,60-69,100H,17-18,29-31,33,35-42,44-51H2,1H3,(H,88,106)(H,89,107)(H,90,103)(H,91,101)(H,92,102)(H,93,108)(H,94,109)(H,95,110)(H3,84,86,96)(H3,85,87,97)/t60-,61-,62+,63+,64+,65+,66+,67+,68+,69+,83+/m1/s1"	C[C@]12CC[C@@H]3c4ccc(OCC(=O)N[C@@H](CCCNC(=N)N[N+](=O)[O-])C(=O)NCC(=O)N[C@@H](CC(=O)OCc5ccccc5)C(=O)N[C@@H](Cc5ccccc5)C(=O)N[C@@H](CCCNC(=N)N[N+](=O)[O-])C(=O)NCC(=O)N[C@@H](CC(=O)OCc5ccccc5)C(=O)N[C@@H](Cc5ccccc5)C(=O)OCc5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O	CC12CCC3c4ccc(OCC(=O)NC(CCCNC(=N)N[N+](=O)[O-])C(=O)NCC(=O)NC(CC(=O)OCc5ccccc5)C(=O)NC(Cc5ccccc5)C(=O)NC(CCCNC(=N)N[N+](=O)[O-])C(=O)NCC(=O)NC(CC(=O)OCc5ccccc5)C(=O)NC(Cc5ccccc5)C(=O)OCc5ccccc5)cc4CCC3C1CCC2O	XODKBBMWASDUPC-PIJNZYDWSA-N	.							
PDC_01412	Tetrapeptide 27 - Estradiol conjugate 6	14	26	"InChI=1S/C56H68N8O13/c1-56-26-25-42-41-22-20-40(28-39(41)19-21-43(42)44(56)23-24-48(56)65)75-35-50(67)60-45(18-11-27-58-55(57)63-64(72)73)52(69)59-30-49(66)61-46(29-51(68)76-32-37-14-7-3-8-15-37)53(70)62-47(34-74-31-36-12-5-2-6-13-36)54(71)77-33-38-16-9-4-10-17-38/h2-10,12-17,20,22,28,42-48,65H,11,18-19,21,23-27,29-35H2,1H3,(H,59,69)(H,60,67)(H,61,66)(H,62,70)(H3,57,58,63)/t42-,43-,44+,45+,46+,47+,48+,56+/m1/s1"	C[C@]12CC[C@@H]3c4ccc(OCC(=O)N[C@@H](CCCNC(=N)N[N+](=O)[O-])C(=O)NCC(=O)N[C@@H](CC(=O)OCc5ccccc5)C(=O)N[C@@H](COCc5ccccc5)C(=O)OCc5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O	CC12CCC3c4ccc(OCC(=O)NC(CCCNC(=N)N[N+](=O)[O-])C(=O)NCC(=O)NC(CC(=O)OCc5ccccc5)C(=O)NC(COCc5ccccc5)C(=O)OCc5ccccc5)cc4CCC3C1CCC2O	ZQBUBPKKRQTKEM-FRCGWLJJSA-N	.							
PDC_01413	Tetrapeptide 28 - Estradiol conjugate 4	9	19	"InChI=1S/C41H55N7O10/c1-41-16-15-27-26-12-10-25(19-24(26)9-11-28(27)29(41)13-14-33(41)49)58-22-35(51)46-30(8-5-17-44-40(42)43)37(54)45-21-34(50)47-31(20-36(52)53)38(55)48-32(39(56)57)18-23-6-3-2-4-7-23/h2-4,6-7,10,12,19,27-33,49H,5,8-9,11,13-18,20-22H2,1H3,(H,45,54)(H,46,51)(H,47,50)(H,48,55)(H,52,53)(H,56,57)(H4,42,43,44)/t27-,28-,29+,30+,31+,32+,33+,41+/m1/s1"	C[C@]12CC[C@@H]3c4ccc(OCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc5ccccc5)C(=O)O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O	CC12CCC3c4ccc(OCC(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(Cc5ccccc5)C(=O)O)cc4CCC3C1CCC2O	YAMJQKPJPZSIBQ-FBEOCUJZSA-N	.							
PDC_01414	Tetrapeptide 26 - Estradiol conjugate 6	9	18	"InChI=1S/C37H55N7O10/c1-19(2)32(35(52)53)44-34(51)27(16-31(48)49)43-29(46)17-41-33(50)26(5-4-14-40-36(38)39)42-30(47)18-54-21-7-9-22-20(15-21)6-8-24-23(22)12-13-37(3)25(24)10-11-28(37)45/h7,9,15,19,23-28,32,45H,4-6,8,10-14,16-18H2,1-3H3,(H,41,50)(H,42,47)(H,43,46)(H,44,51)(H,48,49)(H,52,53)(H4,38,39,40)/t23-,24-,25+,26+,27+,28+,32+,37+/m1/s1"	CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12)C(=O)O	CC(C)C(NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)COc1ccc2c(c1)CCC1C2CCC2(C)C(O)CCC12)C(=O)O	ZISOEAVJEHQZSO-VUIWUGGPSA-N	.							
PDC_01415	Tetrapeptide 27 - Estradiol conjugate 7	10	18	"InChI=1S/C35H51N7O11/c1-35-11-10-21-20-7-5-19(13-18(20)4-6-22(21)23(35)8-9-27(35)44)53-17-29(46)40-24(3-2-12-38-34(36)37)31(49)39-15-28(45)41-25(14-30(47)48)32(50)42-26(16-43)33(51)52/h5,7,13,21-27,43-44H,2-4,6,8-12,14-17H2,1H3,(H,39,49)(H,40,46)(H,41,45)(H,42,50)(H,47,48)(H,51,52)(H4,36,37,38)/t21-,22-,23+,24+,25+,26+,27+,35+/m1/s1"	C[C@]12CC[C@@H]3c4ccc(OCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O	CC12CCC3c4ccc(OCC(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)O)cc4CCC3C1CCC2O	ZUCVCNGDXQNYFU-MPSIUXPZSA-N	.							
PDC_01416	Tetrapeptide 28 - Estradiol conjugate 5	10	20	"InChI=1S/C43H57N7O11/c1-43-18-17-28-27-12-10-26(51)21-25(27)9-11-29(28)30(43)13-14-34(43)61-38(56)16-15-35(52)48-31(8-5-19-46-42(44)45)39(57)47-23-36(53)49-32(22-37(54)55)40(58)50-33(41(59)60)20-24-6-3-2-4-7-24/h2-4,6-7,10,12,21,28-34,51H,5,8-9,11,13-20,22-23H2,1H3,(H,47,57)(H,48,52)(H,49,53)(H,50,58)(H,54,55)(H,59,60)(H4,44,45,46)/t28-,29-,30+,31+,32+,33+,34+,43+/m1/s1"	C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	CC12CCC3c4ccc(O)cc4CCC3C1CCC2OC(=O)CCC(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)O	CSHMIFTUBGDSKP-UZSAAMCRSA-N	.							
PDC_01417	Tetrapeptide 26 - Estradiol conjugate 7	10	19	"InChI=1S/C39H57N7O11/c1-20(2)34(37(55)56)46-36(54)28(18-32(50)51)45-31(49)19-43-35(53)27(5-4-16-42-38(40)41)44-30(48)12-13-33(52)57-29-11-10-26-25-8-6-21-17-22(47)7-9-23(21)24(25)14-15-39(26,29)3/h7,9,17,20,24-29,34,47H,4-6,8,10-16,18-19H2,1-3H3,(H,43,53)(H,44,48)(H,45,49)(H,46,54)(H,50,51)(H,55,56)(H4,40,41,42)/t24-,25-,26+,27+,28+,29+,34+,39+/m1/s1"	CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C)C(=O)O	CC(C)C(NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)CCC(=O)OC1CCC2C3CCc4cc(O)ccc4C3CCC12C)C(=O)O	UQTMAMJMLIXIBE-QXFJFRFOSA-N	.							
PDC_01418	Tetrapeptide 27 - Estradiol conjugate 8	11	19	"InChI=1S/C37H53N7O12/c1-37-13-12-22-21-7-5-20(46)15-19(21)4-6-23(22)24(37)8-9-28(37)56-32(51)11-10-29(47)42-25(3-2-14-40-36(38)39)33(52)41-17-30(48)43-26(16-31(49)50)34(53)44-27(18-45)35(54)55/h5,7,15,22-28,45-46H,2-4,6,8-14,16-18H2,1H3,(H,41,52)(H,42,47)(H,43,48)(H,44,53)(H,49,50)(H,54,55)(H4,38,39,40)/t22-,23-,24+,25+,26+,27+,28+,37+/m1/s1"	C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O	CC12CCC3c4ccc(O)cc4CCC3C1CCC2OC(=O)CCC(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)O	CYWGVFGZHRHZFS-UKUCXORNSA-N	.							
PDC_01419	CPRGGSVC - Doxorubicin conjugate 1	29	28	"InChI=1S/C68H95N13O27S2/c1-32(2)55-64(98)79-40(66(100)101)31-110-109-30-39(65(99)81-16-7-10-41(81)63(97)78-36(9-6-14-72-67(69)70)61(95)74-25-47(87)73-26-48(88)76-38(27-82)62(96)80-55)77-49(89)29-106-21-20-105-19-18-104-17-15-71-45(85)12-13-46(86)75-37-22-50(107-33(3)56(37)90)108-43-24-68(102,44(84)28-83)23-35-52(43)60(94)54-53(58(35)92)57(91)34-8-5-11-42(103-4)51(34)59(54)93/h5,8,11,32-33,36-41,43,50,55-56,82-83,90,92,94,102H,6-7,9-10,12-31H2,1-4H3,(H,71,85)(H,73,87)(H,74,95)(H,75,86)(H,76,88)(H,77,89)(H,78,97)(H,79,98)(H,80,96)(H,100,101)(H4,69,70,72)/t33-,36-,37-,38-,39-,40-,41-,43-,50-,55-,56+,68-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)CCC(=O)NCCOCCOCCOCC(=O)N[C@H]2CSSC[C@@H](C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]3CCCN3C2=O)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)CCC(=O)NCCOCCOCCOCC(=O)NC2CSSCC(C(=O)O)NC(=O)C(C(C)C)NC(=O)C(CO)NC(=O)CNC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)C3CCCN3C2=O)C(O)C(C)O1	REKSADBNPFOAMS-ZHNAYEQPSA-N	.							
PDC_01420	CPRGGSVC - Doxorubicin conjugate 2	25	17	"InChI=1S/C60H80N12O23S2/c1-25(2)47-56(88)70-33(58(90)91)24-97-96-23-32(57(89)72-15-7-10-34(72)55(87)69-29(9-6-14-63-59(61)62)53(85)65-19-40(78)64-20-41(79)67-31(21-73)54(86)71-47)68-39(77)13-12-38(76)66-30-16-42(94-26(3)48(30)80)95-36-18-60(92,37(75)22-74)17-28-44(36)52(84)46-45(50(28)82)49(81)27-8-5-11-35(93-4)43(27)51(46)83/h5,8,11,25-26,29-34,36,42,47-48,73-74,80,82,84,92H,6-7,9-10,12-24H2,1-4H3,(H,64,78)(H,65,85)(H,66,76)(H,67,79)(H,68,77)(H,69,87)(H,70,88)(H,71,86)(H,90,91)(H4,61,62,63)/t26-,29-,30-,31-,32-,33-,34-,36-,42-,47-,48+,60-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)CCC(=O)N[C@H]2CSSC[C@@H](C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]3CCCN3C2=O)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)CCC(=O)NC2CSSCC(C(=O)O)NC(=O)C(C(C)C)NC(=O)C(CO)NC(=O)CNC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)C3CCCN3C2=O)C(O)C(C)O1	DBZPIGVMYIGVMJ-WJJPDZONSA-N	.							
PDC_01421	KTTKS - L-Ascorbic acid conjugate 2	22	41	"InChI=1S/C77H113N7O23/c1-48(104-74(6,7)8)59(66(89)81-54(38-28-30-42-79-71(95)107-77(15,16)17)64(87)82-55(68(91)92)46-101-73(3,4)5)84-67(90)60(49(2)105-75(9,10)11)83-65(88)53(37-27-29-41-78-70(94)106-76(12,13)14)80-57(85)39-40-58(86)97-47-56(102-72(96)100-45-52-35-25-20-26-36-52)61-62(98-43-50-31-21-18-22-32-50)63(69(93)103-61)99-44-51-33-23-19-24-34-51/h18-26,31-36,48-49,53-56,59-61H,27-30,37-47H2,1-17H3,(H,78,94)(H,79,95)(H,80,85)(H,81,89)(H,82,87)(H,83,88)(H,84,90)(H,91,92)/t48-,49-,53+,54+,55+,56+,59+,60+,61-/m1/s1"	C[C@@H](OC(C)(C)C)[C@H](NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)CCC(=O)OC[C@H](OC(=O)OCc1ccccc1)[C@H]1OC(=O)C(OCc2ccccc2)=C1OCc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)N[C@@H](COC(C)(C)C)C(=O)O)[C@@H](C)OC(C)(C)C	CC(OC(C)(C)C)C(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)CCC(=O)OCC(OC(=O)OCc1ccccc1)C1OC(=O)C(OCc2ccccc2)=C1OCc1ccccc1)C(=O)NC(C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)NC(COC(C)(C)C)C(=O)O)C(C)OC(C)(C)C	ZPQBTSVFDORAEI-SEUHWYDTSA-N	.							
PDC_01422	KTTKS - L-Ascorbic acid conjugate 3	18	27	"InChI=1S/C33H55N7O17/c1-15(42)23(30(51)37-18(8-4-6-12-35)28(49)38-19(13-41)32(53)54)40-31(52)24(16(2)43)39-29(50)17(7-3-5-11-34)36-21(45)9-10-22(46)56-14-20(44)27-25(47)26(48)33(55)57-27/h15-20,23-24,27,41-44,47-48H,3-14,34-35H2,1-2H3,(H,36,45)(H,37,51)(H,38,49)(H,39,50)(H,40,52)(H,53,54)/t15-,16-,17+,18+,19+,20+,23+,24+,27-/m1/s1"	C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)CCC(=O)OC[C@H](O)[C@H]1OC(=O)C(O)=C1O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O	CC(O)C(NC(=O)C(CCCCN)NC(=O)CCC(=O)OCC(O)C1OC(=O)C(O)=C1O)C(=O)NC(C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)O)C(C)O	WZDHCBSFGKTXJY-FSGNCMTISA-N	.							
PDC_01423	Transferrin receptor binding peptide - Artemisinin conjugate	28	46	"InChI=1S/C109H141N21O23/c1-10-60(2)88(99(142)126-86(49-66-28-38-77(131)39-29-66)100(143)130-48-14-17-87(130)98(141)123-83(16-13-47-116-105(111)112)95(138)124-84(89(110)132)50-75-54-113-58-117-75)127-90(133)65(7)121-97(140)85(51-76-55-114-59-118-76)125-96(139)82(122-92(135)72-32-22-68(23-33-72)53-120-129-94(137)74-36-26-70(27-37-74)57-145-102-64(6)81-41-19-62(4)79-43-45-107(9)149-104(147-102)109(79,81)153-151-107)15-11-12-46-115-91(134)71-30-20-67(21-31-71)52-119-128-93(136)73-34-24-69(25-35-73)56-144-101-63(5)80-40-18-61(3)78-42-44-106(8)148-103(146-101)108(78,80)152-150-106/h20-39,52-55,58-65,78-88,101-104,131H,10-19,40-51,56-57H2,1-9H3,(H2,110,132)(H,113,117)(H,114,118)(H,115,134)(H,121,140)(H,122,135)(H,123,141)(H,124,138)(H,125,139)(H,126,142)(H,127,133)(H,128,136)(H,129,137)(H4,111,112,116)/b119-52+,120-53+/t60-,61+,62+,63+,64+,65-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,101-,102-,103+,104+,106+,107+,108+,109+/m0/s1"	CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCNC(=O)c1ccc(/C=N/NC(=O)c2ccc(CO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)cc2)cc1)NC(=O)c1ccc(/C=N/NC(=O)c2ccc(CO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)cc2)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O	CCC(C)C(NC(=O)C(C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CCCCNC(=O)c1ccc(C=NNC(=O)c2ccc(COC3OC4OC5(C)CCC6C(C)CCC(C3C)C46OO5)cc2)cc1)NC(=O)c1ccc(C=NNC(=O)c2ccc(COC3OC4OC5(C)CCC6C(C)CCC(C3C)C46OO5)cc2)cc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1cnc[nH]1)C(N)=O	ILCGSFBUWNSFQP-XAGJRBBESA-N	.							
PDC_01424	T7 - Artemisinin conjugate	19	32	"InChI=1S/C72H95N17O15/c1-7-39(2)58(66(98)86-56(30-43-17-23-50(90)24-18-43)67(99)89-29-9-11-57(89)65(97)83-53(10-8-28-78-70(74)75)63(95)84-54(59(73)91)31-48-34-76-37-79-48)87-60(92)42(5)82-64(96)55(32-49-35-77-38-80-49)85-61(93)46-19-13-44(14-20-46)33-81-88-62(94)47-21-15-45(16-22-47)36-100-68-41(4)52-25-12-40(3)51-26-27-71(6)102-69(101-68)72(51,52)104-103-71/h13-24,33-35,37-42,51-58,68-69,90H,7-12,25-32,36H2,1-6H3,(H2,73,91)(H,76,79)(H,77,80)(H,82,96)(H,83,97)(H,84,95)(H,85,93)(H,86,98)(H,87,92)(H,88,94)(H4,74,75,78)/b81-33+/t39-,40+,41+,42-,51-,52-,53-,54-,55-,56-,57-,58-,68-,69+,71+,72+/m0/s1"	CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccc(/C=N/NC(=O)c2ccc(CO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)cc2)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O	CCC(C)C(NC(=O)C(C)NC(=O)C(Cc1cnc[nH]1)NC(=O)c1ccc(C=NNC(=O)c2ccc(COC3OC4OC5(C)CCC6C(C)CCC(C3C)C46OO5)cc2)cc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1cnc[nH]1)C(N)=O	MYXJSYVRGVWNJJ-IADYFWDISA-N	.							
PDC_01425	Tripeptide 73 - Vinblastine conjugate 1	15	18	"InChI=1S/C62H79N7O15/c1-10-34(4)49(52(75)64-43(53(76)77)27-48(72)73)65-51(74)44-19-15-23-68(44)47(71)33-69-30-36(11-2)25-37(31-69)29-61(57(78)82-8,50-39(32-69)38-17-13-14-18-42(38)63-50)41-26-40-45(28-46(41)81-7)66(6)55-60(40)21-24-67-22-16-20-59(12-3,54(60)67)56(84-35(5)70)62(55,80)58(79)83-9/h13-14,16-18,20,25-26,28,34,37,43-44,49,54-56,63,80H,10-12,15,19,21-24,27,29-33H2,1-9H3,(H3-,64,65,72,73,74,75,76,77)/p+1/t34-,37-,43-,44-,49-,54-,55+,56+,59+,60+,61-,62-,69+/m0/s1"	CCC1=C[C@H]2C[C@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)c3[nH]c4ccccc4c3C[N@@+](CC(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)CC)(C1)C2	CCC1=CC2CC(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)c3[nH]c4ccccc4c3C[N+](CC(=O)N3CCCC3C(=O)NC(C(=O)NC(CC(=O)O)C(=O)O)C(C)CC)(C1)C2	RRDHDKIMHSIYRV-UKNDQNDLSA-O	.							
PDC_01426	Tripeptide 73 - Vinblastine conjugate 2	17	22	"InChI=1S/C76H91N7O15/c1-10-46(4)63(66(88)78-57(67(89)97-45-50-25-17-14-18-26-50)37-62(86)96-44-49-23-15-13-16-24-49)79-65(87)58-29-21-33-82(58)61(85)43-83-40-48(11-2)35-51(41-83)39-75(71(90)94-8,64-53(42-83)52-27-19-20-28-56(52)77-64)55-36-54-59(38-60(55)93-7)80(6)69-74(54)31-34-81-32-22-30-73(12-3,68(74)81)70(98-47(5)84)76(69,92)72(91)95-9/h13-20,22-28,30,35-36,38,46,51,57-58,63,68-70,77,92H,10-12,21,29,31-34,37,39-45H2,1-9H3,(H-,78,79,87,88)/p+1/t46-,51-,57-,58-,63-,68-,69+,70+,73+,74+,75-,76-,83+/m0/s1"	CCC1=C[C@H]2C[C@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)c3[nH]c4ccccc4c3C[N@@+](CC(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N[C@@H](CC(=O)OCc3ccccc3)C(=O)OCc3ccccc3)[C@@H](C)CC)(C1)C2	CCC1=CC2CC(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)c3[nH]c4ccccc4c3C[N+](CC(=O)N3CCCC3C(=O)NC(C(=O)NC(CC(=O)OCc3ccccc3)C(=O)OCc3ccccc3)C(C)CC)(C1)C2	ARXHLRIRBGCZPT-QVCQAYNOSA-O	.							
PDC_01427	Dipeptide 35 - Vinblastine conjugate 1	13	14	"InChI=1S/C58H74N6O12/c1-10-33(4)46(49(68)69)60-48(67)42-19-15-23-63(42)45(66)32-64-29-35(11-2)25-36(30-64)28-57(53(70)74-8,47-38(31-64)37-17-13-14-18-41(37)59-47)40-26-39-43(27-44(40)73-7)61(6)51-56(39)21-24-62-22-16-20-55(12-3,50(56)62)52(76-34(5)65)58(51,72)54(71)75-9/h13-14,16-18,20,25-27,33,36,42,46,50-52,59,72H,10-12,15,19,21-24,28-32H2,1-9H3,(H-,60,67,68,69)/p+1/t33-,36-,42-,46-,50-,51+,52+,55+,56+,57-,58-,64+/m0/s1"	CCC1=C[C@H]2C[C@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)c3[nH]c4ccccc4c3C[N@@+](CC(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)O)[C@@H](C)CC)(C1)C2	CCC1=CC2CC(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)c3[nH]c4ccccc4c3C[N+](CC(=O)N3CCCC3C(=O)NC(C(=O)O)C(C)CC)(C1)C2	GARHFNBGDBCKEB-XSWJQDMXSA-O	.							
PDC_01428	Dipeptide 35 - Vinblastine conjugate 2	14	16	"InChI=1S/C65H80N6O12/c1-10-39(4)53(56(75)82-38-42-20-14-13-15-21-42)67-55(74)49-24-18-28-70(49)52(73)37-71-34-41(11-2)30-43(35-71)33-64(60(76)80-8,54-45(36-71)44-22-16-17-23-48(44)66-54)47-31-46-50(32-51(47)79-7)68(6)58-63(46)26-29-69-27-19-25-62(12-3,57(63)69)59(83-40(5)72)65(58,78)61(77)81-9/h13-17,19-23,25,30-32,39,43,49,53,57-59,66,78H,10-12,18,24,26-29,33-38H2,1-9H3/p+1/t39-,43-,49-,53-,57-,58+,59+,62+,63+,64-,65-,71+/m0/s1"	CCC1=C[C@H]2C[C@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)c3[nH]c4ccccc4c3C[N@@+](CC(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)OCc3ccccc3)[C@@H](C)CC)(C1)C2	CCC1=CC2CC(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)c3[nH]c4ccccc4c3C[N+](CC(=O)N3CCCC3C(=O)NC(C(=O)OCc3ccccc3)C(C)CC)(C1)C2	HMGXDRQPWWZQBS-JQBXFQQBSA-O	.							
PDC_01429	Tripeptide 73 - Vinblastine conjugate 3	17	22	"InChI=1S/C77H93N7O15/c1-10-47(4)64(67(89)79-58(68(90)98-46-51-25-17-14-18-26-51)39-63(87)97-45-50-23-15-13-16-24-50)80-66(88)59-29-21-34-83(59)62(86)44-84-36-30-54-53-27-19-20-28-57(53)78-65(54)76(72(91)95-8,41-52(43-84)37-49(11-2)42-84)56-38-55-60(40-61(56)94-7)81(6)70-75(55)32-35-82-33-22-31-74(12-3,69(75)82)71(99-48(5)85)77(70,93)73(92)96-9/h13-20,22-28,31,37-38,40,47,52,58-59,64,69-71,78,93H,10-12,21,29-30,32-36,39,41-46H2,1-9H3,(H-,79,80,88,89)/p+1/t47-,52-,58-,59-,64-,69-,70+,71+,74+,75+,76-,77-,84+/m0/s1"	CCC1=C[C@H]2C[C@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)c3[nH]c4ccccc4c3CC[N@@+](CC(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N[C@@H](CC(=O)OCc3ccccc3)C(=O)OCc3ccccc3)[C@@H](C)CC)(C1)C2	CCC1=CC2CC(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)c3[nH]c4ccccc4c3CC[N+](CC(=O)N3CCCC3C(=O)NC(C(=O)NC(CC(=O)OCc3ccccc3)C(=O)OCc3ccccc3)C(C)CC)(C1)C2	PGRVACNQRUVBSQ-DOEZTCSKSA-O	.							
PDC_01430	"RGD - (1R,3R,4aS,4bR,6aS,8S,10aS,10bS,12aS)-1-[1H]phenanthro[2,1-c]pyran]-3-carboxylic acid, octadecahydro-8-methoxy-10a,12a-dimethyl-Spiro[furan-2(3H) conjugate 1"	9	14	"InChI=1S/C36H59N7O9/c1-34-12-9-21(50-3)16-20(34)7-8-22-23(34)10-13-35(2)24(22)17-27(52-36(35)11-5-15-51-36)32(49)43-25(6-4-14-40-33(38)39)31(48)41-19-28(44)42-26(30(37)47)18-29(45)46/h20-27H,4-19H2,1-3H3,(H2,37,47)(H,41,48)(H,42,44)(H,43,49)(H,45,46)(H4,38,39,40)/t20-,21-,22+,23-,24-,25-,26-,27+,34-,35-,36+/m0/s1"	CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(N)=O)O[C@]23CCCO3)C1	COC1CCC2(C)C(CCC3C2CCC2(C)C3CC(C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC(=O)O)C(N)=O)OC23CCCO3)C1	BSLVMUFUIGHAFH-FAXFRBNBSA-N	.							
PDC_01431	"Tripeptide 74 - (1R,3R,4aS,4bR,6aS,8S,10aS,10bS,12aS)-1-[1H]phenanthro[2,1-c]pyran]-3-carboxylic acid, octadecahydro-8-methoxy-10a,12a-dimethyl-Spiro[furan-2(3H) conjugate"	15	22	"InChI=1S/C68H85N9O14S/c1-65-26-23-43(87-3)31-39(65)15-19-44-46(65)24-27-66(2)50(44)35-56(90-67(66)25-10-30-88-67)61(85)76-52(14-9-29-71-63(69)70)59(83)75-51(60(84)77-53(36-57(80)81)58(82)73-37-38-11-5-4-6-12-38)13-7-8-28-72-64(92)74-40-16-20-47-45(32-40)62(86)91-68(47)48-21-17-41(78)33-54(48)89-55-34-42(79)18-22-49(55)68/h4-6,11-12,16-18,20-22,32-34,39,43-44,46,50-53,56,78-79H,7-10,13-15,19,23-31,35-37H2,1-3H3,(H,73,82)(H,75,83)(H,76,85)(H,77,84)(H,80,81)(H4,69,70,71)(H2,72,74,92)/t39-,43-,44+,46-,50-,51-,52-,53-,56+,65-,66-,67+/m0/s1"	CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=S)Nc3ccc4c(c3)C(=O)OC43c4ccc(O)cc4Oc4cc(O)ccc43)C(=O)N[C@@H](CC(=O)O)C(=O)NCc3ccccc3)O[C@]23CCCO3)C1	COC1CCC2(C)C(CCC3C2CCC2(C)C3CC(C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCNC(=S)Nc3ccc4c(c3)C(=O)OC43c4ccc(O)cc4Oc4cc(O)ccc43)C(=O)NC(CC(=O)O)C(=O)NCc3ccccc3)OC23CCCO3)C1	JCIXRRNIJJXUKY-TXFYHIMMSA-N	.							
PDC_01432	"Tripeptide 75 - (1R,3R,4aS,4bR,6aS,8S,10aS,10bS,12aS)-1-[1H]phenanthro[2,1-c]pyran]-3-carboxylic acid, octadecahydro-8-methoxy-10a,12a-dimethyl-Spiro[furan-2(3H) conjugate 1"	9	18	"InChI=1S/C51H79N7O9/c1-31(44(61)57-40(29-42(59)60)45(62)55-30-32-13-7-5-8-14-32)43(33-15-9-6-10-16-33)58-46(63)39(17-11-25-54-48(52)53)56-47(64)41-28-38-36-19-18-34-27-35(65-4)20-23-49(34,2)37(36)21-24-50(38,3)51(67-41)22-12-26-66-51/h5,7-8,13-14,31,33-41,43H,6,9-12,15-30H2,1-4H3,(H,55,62)(H,56,64)(H,57,61)(H,58,63)(H,59,60)(H4,52,53,54)/t31-,34-,35-,36+,37-,38-,39-,40-,41+,43+,49-,50-,51+/m0/s1"	CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C3CCCCC3)[C@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)NCc3ccccc3)O[C@]23CCCO3)C1	COC1CCC2(C)C(CCC3C2CCC2(C)C3CC(C(=O)NC(CCCNC(=N)N)C(=O)NC(C3CCCCC3)C(C)C(=O)NC(CC(=O)O)C(=O)NCc3ccccc3)OC23CCCO3)C1	HWNVRQIBMOOEJP-IRLZDDIOSA-N	.							
PDC_01433	"Tripeptide 76 - (1R,3R,4aS,4bR,6aS,8S,10aS,10bS,12aS)-1-[1H]phenanthro[2,1-c]pyran]-3-carboxylic acid, octadecahydro-8-methoxy-10a,12a-dimethyl-Spiro[furan-2(3H) conjugate"	9	18	"InChI=1S/C51H73N7O9/c1-31(44(61)57-40(29-42(59)60)45(62)55-30-32-13-7-5-8-14-32)43(33-15-9-6-10-16-33)58-46(63)39(17-11-25-54-48(52)53)56-47(64)41-28-38-36-19-18-34-27-35(65-4)20-23-49(34,2)37(36)21-24-50(38,3)51(67-41)22-12-26-66-51/h5-10,13-16,31,34-41,43H,11-12,17-30H2,1-4H3,(H,55,62)(H,56,64)(H,57,61)(H,58,63)(H,59,60)(H4,52,53,54)/t31-,34-,35-,36+,37-,38-,39-,40-,41+,43+,49-,50-,51+/m0/s1"	CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](c3ccccc3)[C@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)NCc3ccccc3)O[C@]23CCCO3)C1	COC1CCC2(C)C(CCC3C2CCC2(C)C3CC(C(=O)NC(CCCNC(=N)N)C(=O)NC(c3ccccc3)C(C)C(=O)NC(CC(=O)O)C(=O)NCc3ccccc3)OC23CCCO3)C1	ZGPSZPIUQZLCCH-IRLZDDIOSA-N	.							
PDC_01434	"Tripeptide 75 - (1R,3R,4aS,4bR,6aS,8S,10aS,10bS,12aS)-1-[1H]phenanthro[2,1-c]pyran]-3-carboxylic acid, octadecahydro-8-methoxy-10a,12a-dimethyl-Spiro[furan-2(3H) conjugate 2"	9	18	"InChI=1S/C52H73N7O9/c1-50-22-19-34(66-3)26-33(50)17-18-35-38(50)20-23-51(2)39(35)28-42(68-52(51)21-11-25-67-52)48(65)57-40(16-10-24-55-49(53)54)47(64)59-44(32-14-8-5-9-15-32)36-27-37(36)45(62)58-41(29-43(60)61)46(63)56-30-31-12-6-4-7-13-31/h4-9,12-15,33-42,44H,10-11,16-30H2,1-3H3,(H,56,63)(H,57,65)(H,58,62)(H,59,64)(H,60,61)(H4,53,54,55)/t33-,34-,35+,36+,37+,38-,39-,40-,41-,42+,44-,50-,51-,52+/m0/s1"	CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](c3ccccc3)[C@@H]3C[C@H]3C(=O)N[C@@H](CC(=O)O)C(=O)NCc3ccccc3)O[C@]23CCCO3)C1	COC1CCC2(C)C(CCC3C2CCC2(C)C3CC(C(=O)NC(CCCNC(=N)N)C(=O)NC(c3ccccc3)C3CC3C(=O)NC(CC(=O)O)C(=O)NCc3ccccc3)OC23CCCO3)C1	SHVMAJPDZPBCTB-PRAQMNSTSA-N	.							
PDC_01435	"Tripeptide 75 - (1R,3R,4aS,4bR,6aS,8S,10aS,10bS,12aS)-1-[1H]phenanthro[2,1-c]pyran]-3-carboxylic acid, octadecahydro-8-methoxy-10a,12a-dimethyl-Spiro[furan-2(3H) conjugate 3"	9	18	"InChI=1S/C52H73N7O9/c1-50-22-19-34(66-3)26-33(50)17-18-35-38(50)20-23-51(2)39(35)28-42(68-52(51)21-11-25-67-52)48(65)57-40(16-10-24-55-49(53)54)47(64)59-44(32-14-8-5-9-15-32)36-27-37(36)45(62)58-41(29-43(60)61)46(63)56-30-31-12-6-4-7-13-31/h4-9,12-15,33-42,44H,10-11,16-30H2,1-3H3,(H,56,63)(H,57,65)(H,58,62)(H,59,64)(H,60,61)(H4,53,54,55)/t33-,34-,35+,36-,37-,38-,39-,40-,41-,42+,44+,50-,51-,52+/m0/s1"	CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](c3ccccc3)[C@H]3C[C@@H]3C(=O)N[C@@H](CC(=O)O)C(=O)NCc3ccccc3)O[C@]23CCCO3)C1	COC1CCC2(C)C(CCC3C2CCC2(C)C3CC(C(=O)NC(CCCNC(=N)N)C(=O)NC(c3ccccc3)C3CC3C(=O)NC(CC(=O)O)C(=O)NCc3ccccc3)OC23CCCO3)C1	SHVMAJPDZPBCTB-FTYQVPBDSA-N	.							
PDC_01436	"Tripeptide 75 - (1R,3R,4aS,4bR,6aS,8S,10aS,10bS,12aS)-1-[1H]phenanthro[2,1-c]pyran]-3-carboxylic acid, octadecahydro-8-methoxy-10a,12a-dimethyl-Spiro[furan-2(3H) conjugate 4"	9	15	"InChI=1S/C46H69N7O9/c1-44-19-16-30(60-3)24-29(44)14-15-31-32(44)17-20-45(2)33(31)25-37(62-46(45)18-9-23-61-46)41(58)51-34(12-7-21-49-43(47)48)42(59)53-22-8-13-36(53)40(57)52-35(26-38(54)55)39(56)50-27-28-10-5-4-6-11-28/h4-6,10-11,29-37H,7-9,12-27H2,1-3H3,(H,50,56)(H,51,58)(H,52,57)(H,54,55)(H4,47,48,49)/t29-,30-,31+,32-,33-,34-,35-,36+,37+,44-,45-,46+/m0/s1"	CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N3CCC[C@@H]3C(=O)N[C@@H](CC(=O)O)C(=O)NCc3ccccc3)O[C@]23CCCO3)C1	COC1CCC2(C)C(CCC3C2CCC2(C)C3CC(C(=O)NC(CCCNC(=N)N)C(=O)N3CCCC3C(=O)NC(CC(=O)O)C(=O)NCc3ccccc3)OC23CCCO3)C1	IFHNWBAQKUZWMN-QWKUNYQQSA-N	.							
PDC_01437	"Tripeptide 75 - (1R,3R,4aS,4bR,6aS,8S,10aS,10bS,12aS)-1-[1H]phenanthro[2,1-c]pyran]-3-carboxylic acid, octadecahydro-8-methoxy-10a,12a-dimethyl-Spiro[furan-2(3H) conjugate 5"	9	15	"InChI=1S/C46H69N7O9/c1-44-19-16-30(60-3)24-29(44)14-15-31-32(44)17-20-45(2)33(31)25-37(62-46(45)18-9-23-61-46)41(58)51-34(12-7-21-49-43(47)48)42(59)53-22-8-13-36(53)40(57)52-35(26-38(54)55)39(56)50-27-28-10-5-4-6-11-28/h4-6,10-11,29-37H,7-9,12-27H2,1-3H3,(H,50,56)(H,51,58)(H,52,57)(H,54,55)(H4,47,48,49)/t29-,30-,31+,32-,33-,34-,35-,36-,37+,44-,45-,46+/m0/s1"	CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(=O)O)C(=O)NCc3ccccc3)O[C@]23CCCO3)C1	COC1CCC2(C)C(CCC3C2CCC2(C)C3CC(C(=O)NC(CCCNC(=N)N)C(=O)N3CCCC3C(=O)NC(CC(=O)O)C(=O)NCc3ccccc3)OC23CCCO3)C1	IFHNWBAQKUZWMN-LQWKBIICSA-N	.							
PDC_01438	"RGD - (1R,3R,4aS,4bR,6aS,8S,10aS,10bS,12aS)-1-[1H]phenanthro[2,1-c]pyran]-3-carboxylic acid, octadecahydro-8-methoxy-10a,12a-dimethyl-Spiro[furan-2(3H) conjugate 2"	9	16	"InChI=1S/C43H65N7O9/c1-41-17-14-28(57-3)21-27(41)12-13-29-30(41)15-18-42(2)31(29)22-34(59-43(42)16-8-20-58-43)39(56)50-32(11-7-19-46-40(44)45)37(54)48-25-35(51)49-33(23-36(52)53)38(55)47-24-26-9-5-4-6-10-26/h4-6,9-10,27-34H,7-8,11-25H2,1-3H3,(H,47,55)(H,48,54)(H,49,51)(H,50,56)(H,52,53)(H4,44,45,46)/t27-,28-,29+,30-,31-,32-,33-,34+,41-,42-,43+/m0/s1"	CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCc3ccccc3)O[C@]23CCCO3)C1	COC1CCC2(C)C(CCC3C2CCC2(C)C3CC(C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NCc3ccccc3)OC23CCCO3)C1	BDCNGNJVUCCKLW-HFBVROTKSA-N	.							
PDC_01439	"Tetrapeptide 31 - (1R,3R,4aS,4bR,6aS,8S,10aS,10bS,12aS)-1-[1H]phenanthro[2,1-c]pyran]-3-carboxylic acid, octadecahydro-8-methoxy-10a,12a-dimethyl-Spiro[furan-2(3H) conjugate"	16	26	"InChI=1S/C73H106N8O15S/c1-44-45(2)64(46(3)52-28-31-70(7,8)96-63(44)52)97(88,89)80-68(75)76-34-16-21-56(79-66(86)59-39-55-53-26-24-49-37-50(90-11)27-32-71(49,9)54(53)29-33-72(55,10)73(94-59)30-18-36-93-73)65(85)77-41-61(83)78-57(40-62(84)95-69(4,5)6)67(87)81(42-47-19-14-13-15-20-47)43-48-23-25-51(38-58(48)91-12)92-35-17-22-60(74)82/h13-15,19-20,23,25,38,49-50,53-57,59H,16-18,21-22,24,26-37,39-43H2,1-12H3,(H2,74,82)(H,77,85)(H,78,83)(H,79,86)(H3,75,76,80)/t49-,50-,53+,54-,55-,56-,57-,59+,71-,72-,73+/m0/s1"	COc1cc(OCCCC(N)=O)ccc1CN(Cc1ccccc1)C(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)CNC(=O)[C@H](CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CCC(C)(C)O2)NC(=O)[C@H]1C[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]2(CCCO2)O1	COc1cc(OCCCC(N)=O)ccc1CN(Cc1ccccc1)C(=O)C(CC(=O)OC(C)(C)C)NC(=O)CNC(=O)C(CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CCC(C)(C)O2)NC(=O)C1CC2C3CCC4CC(OC)CCC4(C)C3CCC2(C)C2(CCCO2)O1	WHUWJJUSIQQJIX-LLYVTYFBSA-N	.							
PDC_01440	Polyarginin 1 - Daunorubicine conjugate	28	56	"InChI=1S/C79H130N34O20/c1-36-58(117)48(33-53(132-36)133-50-35-79(130,37(2)114)34-39-55(50)62(121)57-56(60(39)119)59(118)38-13-4-22-49(131-3)54(38)61(57)120)106-52(116)24-23-51(115)105-41(15-6-26-98-72(83)84)64(123)108-43(17-8-28-100-74(87)88)66(125)110-45(19-10-30-102-76(91)92)68(127)112-47(21-12-32-104-78(95)96)70(129)113-46(20-11-31-103-77(93)94)69(128)111-44(18-9-29-101-75(89)90)67(126)109-42(16-7-27-99-73(85)86)65(124)107-40(63(80)122)14-5-25-97-71(81)82/h4,13,22,36,40-48,50,53,58,117,119,121,130H,5-12,14-21,23-35H2,1-3H3,(H2,80,122)(H,105,115)(H,106,116)(H,107,124)(H,108,123)(H,109,126)(H,110,125)(H,111,128)(H,112,127)(H,113,129)(H4,81,82,97)(H4,83,84,98)(H4,85,86,99)(H4,87,88,100)(H4,89,90,101)(H4,91,92,102)(H4,93,94,103)(H4,95,96,104)/t36-,40-,41-,42-,43-,44-,45-,46-,47-,48-,50-,53-,58+,79-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](NC(=O)CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(NC(=O)CCC(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(N)=O)C(O)C(C)O1	FJCYDSXXGPCIKY-MCDIFEPUSA-N	.							
PDC_01441	Polyarginin 2 - Daunorubicine conjugate	24	44	"InChI=1S/C67H106N26O18/c1-30-50(97)40(27-45(110-30)111-42-29-67(108,31(2)94)28-33-47(42)54(101)49-48(52(33)99)51(98)32-11-4-18-41(109-3)46(32)53(49)100)88-44(96)20-19-43(95)87-35(13-6-22-82-62(71)72)56(103)90-37(15-8-24-84-64(75)76)58(105)92-39(17-10-26-86-66(79)80)60(107)93-38(16-9-25-85-65(77)78)59(106)91-36(14-7-23-83-63(73)74)57(104)89-34(55(68)102)12-5-21-81-61(69)70/h4,11,18,30,34-40,42,45,50,97,99,101,108H,5-10,12-17,19-29H2,1-3H3,(H2,68,102)(H,87,95)(H,88,96)(H,89,104)(H,90,103)(H,91,106)(H,92,105)(H,93,107)(H4,69,70,81)(H4,71,72,82)(H4,73,74,83)(H4,75,76,84)(H4,77,78,85)(H4,79,80,86)/t30-,34-,35-,36-,37-,38-,39-,40-,42-,45-,50+,67-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](NC(=O)CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(NC(=O)CCC(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(N)=O)C(O)C(C)O1	PGWPXTSKQFAJBD-WKMCBZBESA-N	.							
PDC_01442	Polyarginin 3 - Daunorubicine conjugate	20	32	"InChI=1S/C55H82N18O16/c1-24-42(77)32(21-37(88-24)89-34-23-55(86,25(2)74)22-27-39(34)46(81)41-40(44(27)79)43(78)26-9-4-14-33(87-3)38(26)45(41)80)70-36(76)16-15-35(75)69-29(11-6-18-66-52(59)60)48(83)72-31(13-8-20-68-54(63)64)50(85)73-30(12-7-19-67-53(61)62)49(84)71-28(47(56)82)10-5-17-65-51(57)58/h4,9,14,24,28-32,34,37,42,77,79,81,86H,5-8,10-13,15-23H2,1-3H3,(H2,56,82)(H,69,75)(H,70,76)(H,71,84)(H,72,83)(H,73,85)(H4,57,58,65)(H4,59,60,66)(H4,61,62,67)(H4,63,64,68)/t24-,28-,29-,30-,31-,32-,34-,37-,42+,55-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](NC(=O)CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(NC(=O)CCC(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(N)=O)C(O)C(C)O1	MWBBJMMBGVDAFN-ATJGLEQUSA-N	.							
PDC_01443	"GANPNAAG - 4-[(1E)-2-[2,5-dibutoxy-4-[(1E)-2-[3,4,5-tris(dodecyloxy)phenyl]ethenyl]phenyl]ethenyl]-benzoic acid conjugate"	16	68	"InChI=1S/C93H146N10O17/c1-9-14-19-22-25-28-31-34-37-40-56-118-80-59-71(60-81(119-57-41-38-35-32-29-26-23-20-15-10-2)86(80)120-58-42-39-36-33-30-27-24-21-16-11-3)48-52-74-62-78(116-54-17-12-4)73(61-79(74)117-55-18-13-5)51-47-70-45-49-72(50-46-70)90(112)96-65-84(106)98-68(7)89(111)102-76(64-83(95)105)93(115)103-53-43-44-77(103)92(114)101-75(63-82(94)104)91(113)100-69(8)88(110)99-67(6)87(109)97-66-85(107)108/h45-52,59-62,67-69,75-77H,9-44,53-58,63-66H2,1-8H3,(H2,94,104)(H2,95,105)(H,96,112)(H,97,109)(H,98,106)(H,99,110)(H,100,113)(H,101,114)(H,102,111)(H,107,108)/b51-47+,52-48+/t67-,68-,69-,75-,76-,77-/m0/s1"	CCCCCCCCCCCCOc1cc(/C=C/c2cc(OCCCC)c(/C=C/c3ccc(C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCC(=O)O)cc3)cc2OCCCC)cc(OCCCCCCCCCCCC)c1OCCCCCCCCCCCC	CCCCCCCCCCCCOc1cc(C=Cc2cc(OCCCC)c(C=Cc3ccc(C(=O)NCC(=O)NC(C)C(=O)NC(CC(N)=O)C(=O)N4CCCC4C(=O)NC(CC(N)=O)C(=O)NC(C)C(=O)NC(C)C(=O)NCC(=O)O)cc3)cc2OCCCC)cc(OCCCCCCCCCCCC)c1OCCCCCCCCCCCC	XVJLZDZIESSHJO-OGLRVNHPSA-N	.							
PDC_01444	"NXGPKKKRKV - N-[2-[2-oxo-2-[[4-(10,15,20-triphenyl-21H,23H-porphin-5-yl)phenyl]amino]ethoxy]acetyl]-L-Aspartic acid conjugate"	47	125	"InChI=1S/C164H252N38O37/c1-107(2)146(161(223)224)199-157(219)128(46-20-28-70-171)193-155(217)130(48-30-72-179-163(173)174)195-151(213)124(42-16-24-66-167)189-149(211)122(40-14-22-64-165)191-153(215)126(44-18-26-68-169)197-159(221)133-50-32-76-201(133)140(208)101-181-136(204)103-237-98-96-235-94-92-233-90-88-231-86-84-229-82-80-227-78-74-177-135(203)100-132(188-139(207)106-239-105-138(206)183-113-54-52-112(53-55-113)145-120-62-60-118(186-120)143(110-36-10-6-11-37-110)116-58-56-114(184-116)142(109-34-8-5-9-35-109)115-57-59-117(185-115)144(111-38-12-7-13-39-111)119-61-63-121(145)187-119)148(210)178-75-79-228-81-83-230-85-87-232-89-91-234-93-95-236-97-99-238-104-137(205)182-102-141(209)202-77-33-51-134(202)160(222)198-127(45-19-27-69-170)154(216)192-123(41-15-23-65-166)150(212)190-125(43-17-25-67-168)152(214)196-131(49-31-73-180-164(175)176)156(218)194-129(47-21-29-71-172)158(220)200-147(108(3)4)162(225)226/h5-13,34-39,52-63,107-108,122-134,146-147,186-187H,14-33,40-51,64-106,165-172H2,1-4H3,(H,177,203)(H,178,210)(H,181,204)(H,182,205)(H,183,206)(H,188,207)(H,189,211)(H,190,212)(H,191,215)(H,192,216)(H,193,217)(H,194,218)(H,195,213)(H,196,214)(H,197,221)(H,198,222)(H,199,219)(H,200,220)(H,223,224)(H,225,226)(H4,173,174,179)(H4,175,176,180)/t122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,146-,147-/m0/s1"	CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)COCCOCCOCCOCCOCCOCCNC(=O)C[C@H](NC(=O)COCC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)NCCOCCOCCOCCOCCOCCOCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)O)C(C)C)C(=O)O	CC(C)C(NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)CNC(=O)COCCOCCOCCOCCOCCOCCNC(=O)CC(NC(=O)COCC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)NCCOCCOCCOCCOCCOCCOCC(=O)NCC(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(C(=O)O)C(C)C)C(=O)O	FXFUXTUTWCTKCC-MTBNDVHGSA-N	.							
PDC_01445	"GRKKRRQRRRPPQ - N-[2-[2-oxo-2-[[4-(10,15,20-triphenyl-21H,23H-porphin-5-yl)phenyl]amino]ethoxy]acetyl]-L-Aspartic acid conjugate"	35	91	"InChI=1S/C132H191N41O26/c133-54-12-10-28-94(116(181)164-95(29-11-13-55-134)117(182)165-96(31-15-57-151-128(139)140)118(183)166-98(33-17-59-153-130(143)144)120(185)169-100(50-52-105(135)174)122(187)168-97(32-16-58-152-129(141)142)119(184)167-99(34-18-60-154-131(145)146)121(186)170-101(35-19-61-155-132(147)148)124(189)173-64-21-37-104(173)125(190)172-63-20-36-103(172)123(188)171-102(126(191)192)51-53-106(136)175)163-115(180)93(30-14-56-150-127(137)138)162-107(176)76-156-109(178)77-198-75-74-197-73-72-196-71-70-195-69-68-194-67-66-193-65-62-149-108(177)78-199-79-110(179)157-84-40-38-83(39-41-84)114-91-48-46-89(160-91)112(81-24-6-2-7-25-81)87-44-42-85(158-87)111(80-22-4-1-5-23-80)86-43-45-88(159-86)113(82-26-8-3-9-27-82)90-47-49-92(114)161-90/h1-9,22-27,38-49,93-104,160-161H,10-21,28-37,50-79,133-134H2,(H2,135,174)(H2,136,175)(H,149,177)(H,156,178)(H,157,179)(H,162,176)(H,163,180)(H,164,181)(H,165,182)(H,166,183)(H,167,184)(H,168,187)(H,169,185)(H,170,186)(H,171,188)(H,191,192)(H4,137,138,150)(H4,139,140,151)(H4,141,142,152)(H4,143,144,153)(H4,145,146,154)(H4,147,148,155)/t93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-/m0/s1"	N=C(N)NCCC[C@H](NC(=O)CNC(=O)COCCOCCOCCOCCOCCOCCNC(=O)COCC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)O	N=C(N)NCCCC(NC(=O)CNC(=O)COCCOCCOCCOCCOCCOCCNC(=O)COCC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(CCC(N)=O)C(=O)O	CBDFCBIRDZRMBT-NVCGTYQQSA-N	.							
PDC_01446	GPLGIAGQ - Doxorubicin conjugate	26	40	"InChI=1S/C71H97N11O26/c1-8-36(4)60(80-51(88)32-75-67(98)43(27-35(2)3)79-69(100)44-12-10-19-81(44)54(91)33-73-49(86)18-21-104-23-25-106-26-24-105-22-20-82-52(89)16-17-53(82)90)70(101)76-37(5)66(97)74-31-50(87)77-41(14-15-48(72)85)68(99)78-42-28-55(107-38(6)61(42)92)108-46-30-71(102,47(84)34-83)29-40-57(46)65(96)59-58(63(40)94)62(93)39-11-9-13-45(103-7)56(39)64(59)95/h9,11,13,16-17,35-38,41-44,46,55,60-61,83,92,94,96,102H,8,10,12,14-15,18-34H2,1-7H3,(H2,72,85)(H,73,86)(H,74,97)(H,75,98)(H,76,101)(H,77,87)(H,78,99)(H,79,100)(H,80,88)/t36-,37-,38-,41-,42-,43-,44-,46-,55-,60-,61+,71-/m0/s1"	CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CCOCCOCCOCCN1C(=O)C=CC1=O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1C[C@H](O[C@H]2C[C@](O)(C(=O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)O[C@@H](C)[C@H]1O	CCC(C)C(NC(=O)CNC(=O)C(CC(C)C)NC(=O)C1CCCN1C(=O)CNC(=O)CCOCCOCCOCCN1C(=O)C=CC1=O)C(=O)NC(C)C(=O)NCC(=O)NC(CCC(N)=O)C(=O)NC1CC(OC2CC(O)(C(=O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)OC(C)C1O	KEKFIAFLDWODLE-UFPHUMHESA-N	.							
PDC_01447	CTVALPGGYVRVCVXVX - Doxorubicin conjugate	38	41	"InChI=1S/C117H170N26O35S2/c1-52(2)41-73-112(170)143-40-22-27-76(143)105(163)126-46-80(149)125-47-81(150)130-72(42-62-31-35-65(147)36-32-62)102(160)139-89(55(7)8)108(166)132-69(24-19-37-122-113(118)119)100(158)138-91(57(11)12)110(168)135-75(51-180-179-50-74(128-61(16)146)103(161)142-92(59(14)145)111(169)141-87(53(3)4)106(164)127-58(13)98(156)134-73)104(162)140-90(56(9)10)109(167)133-70(26-21-39-124-115(121)172)101(159)137-88(54(5)6)107(165)131-68(25-20-38-123-114(120)171)99(157)129-64-33-29-63(30-34-64)49-176-116(173)136-71-43-82(177-60(15)93(71)151)178-78-45-117(174,79(148)48-144)44-67-84(78)97(155)86-85(95(67)153)94(152)66-23-18-28-77(175-17)83(66)96(86)154/h18,23,28-36,52-60,68-76,78,82,87-93,144-145,147,151,153,155,174H,19-22,24-27,37-51H2,1-17H3,(H,125,149)(H,126,163)(H,127,164)(H,128,146)(H,129,157)(H,130,150)(H,131,165)(H,132,166)(H,133,167)(H,134,156)(H,135,168)(H,136,173)(H,137,159)(H,138,158)(H,139,160)(H,140,162)(H,141,169)(H,142,161)(H4,118,119,122)(H3,120,123,171)(H3,121,124,172)/t58-,59+,60-,68-,69-,70-,71-,72-,73-,74-,75-,76-,78-,82-,87-,88-,89-,90-,91-,92-,93+,117-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)OCc2ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]3CSSC[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N4CCC[C@H]4C(=O)NCC(=O)NCC(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)N3)C(C)C)C(C)C)cc2)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)OCc2ccc(NC(=O)C(CCCNC(N)=O)NC(=O)C(NC(=O)C(CCCNC(N)=O)NC(=O)C(NC(=O)C3CSSCC(NC(C)=O)C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)N4CCCC4C(=O)NCC(=O)NCC(=O)NC(Cc4ccc(O)cc4)C(=O)NC(C(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(C(C)C)C(=O)N3)C(C)C)C(C)C)cc2)C(O)C(C)O1	DLMZGEUEMGZUSJ-KSSXASIASA-N	.							
PDC_01448	CTVALPGGYVRVCVXVX - Paclitaxel conjugate	41	46	"InChI=1S/C137H192N26O38S2/c1-67(2)57-90-127(188)163-56-34-44-93(163)120(181)146-61-97(170)145-62-98(171)150-89(58-79-47-51-85(168)52-48-79)117(178)158-102(70(7)8)123(184)152-87(41-31-53-142-130(138)139)115(176)157-104(72(11)12)125(186)155-92(65-203-202-64-91(148-76(16)165)118(179)161-105(75(15)164)126(187)160-100(68(3)4)121(182)147-74(14)112(173)154-90)119(180)159-103(71(9)10)124(185)153-88(43-33-55-144-132(141)192)116(177)156-101(69(5)6)122(183)151-86(42-32-54-143-131(140)191)114(175)149-84-49-45-80(46-50-84)63-195-133(193)199-108(106(81-35-25-22-26-36-81)162-113(174)82-37-27-23-28-38-82)129(190)198-94-60-137(194)111(200-128(189)83-39-29-24-30-40-83)109-135(21,95(169)59-96-136(109,66-196-96)201-78(18)167)110(172)107(197-77(17)166)99(73(94)13)134(137,19)20/h22-30,35-40,45-52,67-72,74-75,86-96,100-109,111,164,168-169,194H,31-34,41-44,53-66H2,1-21H3,(H,145,170)(H,146,181)(H,147,182)(H,148,165)(H,149,175)(H,150,171)(H,151,183)(H,152,184)(H,153,185)(H,154,173)(H,155,186)(H,156,177)(H,157,176)(H,158,178)(H,159,180)(H,160,187)(H,161,179)(H,162,174)(H4,138,139,142)(H3,140,143,191)(H3,141,144,192)/t74-,75+,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96+,100-,101-,102-,103-,104-,105-,106-,107+,108+,109-,111-,135+,136-,137+/m0/s1"	CC(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc2ccc(COC(=O)O[C@@H](C(=O)O[C@H]3C[C@@]4(O)[C@@H](OC(=O)c5ccccc5)[C@@H]5[C@]6(OC(C)=O)CO[C@@H]6C[C@H](O)[C@@]5(C)C(=O)[C@H](OC(C)=O)C(=C3C)C4(C)C)[C@@H](NC(=O)c3ccccc3)c3ccccc3)cc2)C(C)C)C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC1=O	CC(=O)NC1CSSCC(C(=O)NC(C(=O)NC(CCCNC(N)=O)C(=O)NC(C(=O)NC(CCCNC(N)=O)C(=O)Nc2ccc(COC(=O)OC(C(=O)OC3CC4(O)C(OC(=O)c5ccccc5)C5C6(OC(C)=O)COC6CC(O)C5(C)C(=O)C(OC(C)=O)C(=C3C)C4(C)C)C(NC(=O)c3ccccc3)c3ccccc3)cc2)C(C)C)C(C)C)NC(=O)C(C(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(C(C)C)NC(=O)C(Cc2ccc(O)cc2)NC(=O)CNC(=O)CNC(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(C(C)C)NC(=O)C(C(C)O)NC1=O	DVQRRUNRIRCUDE-UJVRCKCDSA-N	.							
PDC_01449	"RGDFK - 3,4-dihydro-2,2,5,7,8-pentamethyl-2H-1-benzopyran-6-sulfonic acid conjugate"	15	19	"InChI=1S/C51H76N10O13S/c1-11-71-33(5)60-72-29-41(63)53-24-16-15-20-37-46(66)57-36(21-17-25-54-49(52)61-75(69,70)44-31(3)30(2)43-35(32(44)4)22-23-51(9,10)74-43)45(65)55-28-40(62)56-39(27-42(64)73-50(6,7)8)48(68)59-38(47(67)58-37)26-34-18-13-12-14-19-34/h12-14,18-19,36-39H,11,15-17,20-29H2,1-10H3,(H,53,63)(H,55,65)(H,56,62)(H,57,66)(H,58,67)(H,59,68)(H3,52,54,61)/t36-,37-,38+,39-/m0/s1"	CCOC(C)=NOCC(=O)NCCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)CNC(=O)[C@H](CCCNC(=N)NS(=O)(=O)c2c(C)c(C)c3c(c2C)CCC(C)(C)O3)NC1=O	CCOC(C)=NOCC(=O)NCCCCC1NC(=O)C(Cc2ccccc2)NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)CNC(=O)C(CCCNC(=N)NS(=O)(=O)c2c(C)c(C)c3c(c2C)CCC(C)(C)O3)NC1=O	DVVNKRLHJMDPKS-RUPCYPOASA-N	.							
PDC_01450	"DFKRG - 3,4-dihydro-2,2,5,7,8-pentamethyl-2H-1-benzopyran-6-sulfonic acid conjugate"	16	28	"InChI=1S/C51H78N10O14S/c1-11-72-33(5)60-73-29-40(62)54-24-16-15-20-38(58-48(69)39(26-34-18-13-12-14-19-34)59-45(66)36(52)27-42(65)74-50(6,7)8)47(68)57-37(46(67)56-28-41(63)64)21-17-25-55-49(53)61-76(70,71)44-31(3)30(2)43-35(32(44)4)22-23-51(9,10)75-43/h12-14,18-19,36-39H,11,15-17,20-29,52H2,1-10H3,(H,54,62)(H,56,67)(H,57,68)(H,58,69)(H,59,66)(H,63,64)(H3,53,55,61)/t36-,37-,38-,39+/m0/s1"	CCOC(C)=NOCC(=O)NCCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CCC(C)(C)O2)C(=O)NCC(=O)O	CCOC(C)=NOCC(=O)NCCCCC(NC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(=O)OC(C)(C)C)C(=O)NC(CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CCC(C)(C)O2)C(=O)NCC(=O)O	KMVITRJMZLSQAB-BTSKBWHGSA-N	.							
PDC_01451	"AKPGKKKPGK - N-[(1,1-Dimethylethoxy)carbonyl]-3-[(3-nitro-2-pyridinyl)dithio]-L-alanine conjugate"	34	48	"InChI=1S/C84H136N22O27S2/c1-13-125-54(6)100-129-48-69(109)85-38-22-17-30-58-75(115)93-53(5)73(113)97-61(33-20-24-40-87-71(111)50-131-102-56(8)127-15-3)81(120)104-44-28-36-64(104)78(118)92-47-68(108)95-59(31-18-23-39-86-70(110)49-130-101-55(7)126-14-2)76(116)96-60(32-19-26-42-89-74(114)63(99-83(122)133-84(10,11)12)52-134-135-80-66(106(123)124)35-27-43-90-80)77(117)98-62(34-21-25-41-88-72(112)51-132-103-57(9)128-16-4)82(121)105-45-29-37-65(105)79(119)91-46-67(107)94-58/h27,35,43,53,58-65H,13-26,28-34,36-42,44-52H2,1-12H3,(H,85,109)(H,86,110)(H,87,111)(H,88,112)(H,89,114)(H,91,119)(H,92,118)(H,93,115)(H,94,107)(H,95,108)(H,96,116)(H,97,113)(H,98,117)(H,99,122)/t53-,58-,59-,60-,61-,62-,63-,64-,65-/m0/s1"	CCOC(C)=NOCC(=O)NCCCC[C@@H]1NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCNC(=O)CON=C(C)OCC)NC(=O)[C@H](CCCCNC(=O)[C@H](CSSc2ncccc2[N+](=O)[O-])NC(=O)OC(C)(C)C)NC(=O)[C@H](CCCCNC(=O)CON=C(C)OCC)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCNC(=O)CON=C(C)OCC)NC(=O)[C@H](C)NC1=O	CCOC(C)=NOCC(=O)NCCCCC1NC(=O)CNC(=O)C2CCCN2C(=O)C(CCCCNC(=O)CON=C(C)OCC)NC(=O)C(CCCCNC(=O)C(CSSc2ncccc2[N+](=O)[O-])NC(=O)OC(C)(C)C)NC(=O)C(CCCCNC(=O)CON=C(C)OCC)NC(=O)CNC(=O)C2CCCN2C(=O)C(CCCCNC(=O)CON=C(C)OCC)NC(=O)C(C)NC1=O	XVCDPCDAGVJLGE-XHNCLXTRSA-N	.							
PDC_01452	"GRKKRRQRRRPPQ - 4-(10,15,20-Tri-4-pyridinyl-21H,23H-porphin-5-yl)benzaldehyde conjugate 1"	36	87	"InChI=1S/C126H184N44O23/c127-45-3-1-13-90(161-110(177)89(15-5-47-148-121(132)133)159-102(173)73-154-103(174)74-193-72-71-192-70-69-191-68-67-190-66-65-189-64-63-188-62-59-147-109(176)79-25-23-75(24-26-79)104-80-27-29-82(155-80)105(76-39-53-144-54-40-76)84-31-33-86(157-84)107(78-43-57-146-58-44-78)87-34-32-85(158-87)106(77-41-55-145-56-42-77)83-30-28-81(104)156-83)111(178)162-91(14-2-4-46-128)112(179)163-92(16-6-48-149-122(134)135)113(180)164-94(18-8-50-151-124(138)139)115(182)167-96(36-38-101(130)172)117(184)166-93(17-7-49-150-123(136)137)114(181)165-95(19-9-51-152-125(140)141)116(183)168-97(20-10-52-153-126(142)143)119(186)170-61-12-22-99(170)120(187)169-60-11-21-98(169)118(185)160-88(108(131)175)35-37-100(129)171/h23-34,39-44,53-58,88-99,155-156H,1-22,35-38,45-52,59-74,127-128H2,(H2,129,171)(H2,130,172)(H2,131,175)(H,147,176)(H,154,174)(H,159,173)(H,160,185)(H,161,177)(H,162,178)(H,163,179)(H,164,180)(H,165,181)(H,166,184)(H,167,182)(H,168,183)(H4,132,133,148)(H4,134,135,149)(H4,136,137,150)(H4,138,139,151)(H4,140,141,152)(H4,142,143,153)/t88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-/m0/s1"	N=C(N)NCCC[C@H](NC(=O)CNC(=O)COCCOCCOCCOCCOCCOCCNC(=O)c1ccc(-c2c3ccc([nH]3)c(-c3ccncc3)c3nc(c(-c4ccncc4)c4nc(c(-c5ccncc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(N)=O	N=C(N)NCCCC(NC(=O)CNC(=O)COCCOCCOCCOCCOCCOCCNC(=O)c1ccc(-c2c3ccc([nH]3)c(-c3ccncc3)c3nc(c(-c4ccncc4)c4nc(c(-c5ccncc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(CCC(N)=O)C(N)=O	JPCVVCVVVZICCR-VKZLXPIVSA-N	.							
PDC_01453	"GPKKKRKV - 4-(10,15,20-Tri-4-pyridinyl-21H,23H-porphin-5-yl)benzaldehyde conjugate 1"	26	61	"InChI=1S/C98H134N24O16/c1-63(2)89(90(103)125)121-96(131)80(16-6-10-40-102)118-95(130)81(17-11-41-110-98(104)105)119-93(128)78(14-4-8-38-100)116-92(127)77(13-3-7-37-99)117-94(129)79(15-5-9-39-101)120-97(132)82-18-12-49-122(82)84(124)61-111-83(123)62-138-60-59-137-58-57-136-56-55-135-54-53-134-52-51-133-50-48-109-91(126)68-21-19-64(20-22-68)85-69-23-25-71(112-69)86(65-31-42-106-43-32-65)73-27-29-75(114-73)88(67-35-46-108-47-36-67)76-30-28-74(115-76)87(66-33-44-107-45-34-66)72-26-24-70(85)113-72/h19-36,42-47,63,77-82,89,112-113H,3-18,37-41,48-62,99-102H2,1-2H3,(H2,103,125)(H,109,126)(H,111,123)(H,116,127)(H,117,129)(H,118,130)(H,119,128)(H,120,132)(H,121,131)(H4,104,105,110)/t77-,78-,79-,80-,81-,82-,89-/m0/s1"	CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)COCCOCCOCCOCCOCCOCCNC(=O)c1ccc(-c2c3ccc([nH]3)c(-c3ccncc3)c3nc(c(-c4ccncc4)c4nc(c(-c5ccncc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(N)=O	CC(C)C(NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)CNC(=O)COCCOCCOCCOCCOCCOCCNC(=O)c1ccc(-c2c3ccc([nH]3)c(-c3ccncc3)c3nc(c(-c4ccncc4)c4nc(c(-c5ccncc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(N)=O	YXHQJIFUUGAGKL-HJCKLGJZSA-N	.							
PDC_01454	"GRKKRRQRRRPPQ - 4-(10,15,20-Tri-4-pyridinyl-21H,23H-porphin-5-yl)benzaldehyde conjugate 2"	44	109	"InChI=1S/C144H210N42O37/c145-51-3-1-13-104(129(201)178-105(14-2-4-52-146)130(202)179-106(16-6-54-165-140(152)153)131(203)180-108(18-8-56-167-142(156)157)133(205)183-110(48-50-115(148)188)135(207)182-107(17-7-55-166-141(154)155)132(204)181-109(19-9-57-168-143(158)159)134(206)184-111(20-10-58-169-144(160)161)137(209)186-62-12-22-113(186)138(210)185-61-11-21-112(185)136(208)176-102(127(149)199)47-49-114(147)187)177-128(200)103(15-5-53-164-139(150)151)175-116(189)79-170-118(191)81-219-80-117(190)162-59-63-211-65-67-213-69-71-215-73-75-217-77-78-218-76-74-216-72-70-214-68-66-212-64-60-163-119(192)82-220-90-31-23-86(24-32-90)123-94-39-41-96(171-94)124(87-25-33-91(34-26-87)221-83-120(193)194)98-43-45-100(173-98)126(89-29-37-93(38-30-89)223-85-122(197)198)101-46-44-99(174-101)125(97-42-40-95(123)172-97)88-27-35-92(36-28-88)222-84-121(195)196/h23-46,102-113,171-172H,1-22,47-85,145-146H2,(H2,147,187)(H2,148,188)(H2,149,199)(H,162,190)(H,163,192)(H,170,191)(H,175,189)(H,176,208)(H,177,200)(H,178,201)(H,179,202)(H,180,203)(H,181,204)(H,182,207)(H,183,205)(H,184,206)(H,193,194)(H,195,196)(H,197,198)(H4,150,151,164)(H4,152,153,165)(H4,154,155,166)(H4,156,157,167)(H4,158,159,168)(H4,160,161,169)/t102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-/m0/s1"	N=C(N)NCCC[C@H](NC(=O)CNC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)COc1ccc(-c2c3ccc([nH]3)c(-c3ccc(OCC(=O)O)cc3)c3nc(c(-c4ccc(OCC(=O)O)cc4)c4nc(c(-c5ccc(OCC(=O)O)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(N)=O	N=C(N)NCCCC(NC(=O)CNC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)COc1ccc(-c2c3ccc([nH]3)c(-c3ccc(OCC(=O)O)cc3)c3nc(c(-c4ccc(OCC(=O)O)cc4)c4nc(c(-c5ccc(OCC(=O)O)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(CCC(N)=O)C(N)=O	AVOZYPRCWRFHAS-LTPDHRGOSA-N	.							
PDC_01455	"GPKKKRKV - 4-(10,15,20-Tri-4-pyridinyl-21H,23H-porphin-5-yl)benzaldehyde conjugate 2"	34	83	"InChI=1S/C116H160N22O30/c1-74(2)108(109(121)149)137-114(154)94(16-6-10-46-120)134-113(153)95(17-11-47-126-116(122)123)135-111(151)92(14-4-8-44-118)132-110(150)91(13-3-7-43-117)133-112(152)93(15-5-9-45-119)136-115(155)96-18-12-50-138(96)100(142)67-127-98(140)69-164-68-97(139)124-48-51-156-53-55-158-57-59-160-61-63-162-65-66-163-64-62-161-60-58-159-56-54-157-52-49-125-99(141)70-165-79-27-19-75(20-28-79)104-83-35-37-85(128-83)105(76-21-29-80(30-22-76)166-71-101(143)144)87-39-41-89(130-87)107(78-25-33-82(34-26-78)168-73-103(147)148)90-42-40-88(131-90)106(86-38-36-84(104)129-86)77-23-31-81(32-24-77)167-72-102(145)146/h19-42,74,91-96,108,128-129H,3-18,43-73,117-120H2,1-2H3,(H2,121,149)(H,124,139)(H,125,141)(H,127,140)(H,132,150)(H,133,152)(H,134,153)(H,135,151)(H,136,155)(H,137,154)(H,143,144)(H,145,146)(H,147,148)(H4,122,123,126)/t91-,92-,93-,94-,95-,96-,108-/m0/s1"	CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)COc1ccc(-c2c3ccc([nH]3)c(-c3ccc(OCC(=O)O)cc3)c3nc(c(-c4ccc(OCC(=O)O)cc4)c4nc(c(-c5ccc(OCC(=O)O)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(N)=O	CC(C)C(NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)CNC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)COc1ccc(-c2c3ccc([nH]3)c(-c3ccc(OCC(=O)O)cc3)c3nc(c(-c4ccc(OCC(=O)O)cc4)c4nc(c(-c5ccc(OCC(=O)O)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(N)=O	NVBGDBRRLBEUCI-AGOUERHESA-N	.							
PDC_01456	"GRKKRRQRRRPPQ - 4-(10,15,20-Tri-4-pyridinyl-21H,23H-porphin-5-yl)benzaldehyde conjugate 3"	35	91	"InChI=1S/C132H192N42O25/c133-54-12-10-28-95(117(183)166-96(29-11-13-55-134)118(184)167-97(31-15-57-152-128(140)141)119(185)168-99(33-17-59-154-130(144)145)121(187)171-101(51-53-106(136)176)123(189)170-98(32-16-58-153-129(142)143)120(186)169-100(34-18-60-155-131(146)147)122(188)172-102(35-19-61-156-132(148)149)125(191)174-64-21-37-104(174)126(192)173-63-20-36-103(173)124(190)164-93(115(137)181)50-52-105(135)175)165-116(182)94(30-14-56-151-127(138)139)163-107(177)76-157-109(179)77-198-75-74-197-73-72-196-71-70-195-69-68-194-67-66-193-65-62-150-108(178)78-199-79-110(180)158-84-40-38-83(39-41-84)114-91-48-46-89(161-91)112(81-24-6-2-7-25-81)87-44-42-85(159-87)111(80-22-4-1-5-23-80)86-43-45-88(160-86)113(82-26-8-3-9-27-82)90-47-49-92(114)162-90/h1-9,22-27,38-49,93-104,161-162H,10-21,28-37,50-79,133-134H2,(H2,135,175)(H2,136,176)(H2,137,181)(H,150,178)(H,157,179)(H,158,180)(H,163,177)(H,164,190)(H,165,182)(H,166,183)(H,167,184)(H,168,185)(H,169,186)(H,170,189)(H,171,187)(H,172,188)(H4,138,139,151)(H4,140,141,152)(H4,142,143,153)(H4,144,145,154)(H4,146,147,155)(H4,148,149,156)/t93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-/m0/s1"	N=C(N)NCCC[C@H](NC(=O)CNC(=O)COCCOCCOCCOCCOCCOCCNC(=O)COCC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(N)=O	N=C(N)NCCCC(NC(=O)CNC(=O)COCCOCCOCCOCCOCCOCCNC(=O)COCC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(CCC(N)=O)C(N)=O	ZIDWIBCYYMRFMJ-NVCGTYQQSA-N	.							
PDC_01457	"GPKKKRKV - 4-(10,15,20-Tri-4-pyridinyl-21H,23H-porphin-5-yl)benzaldehyde conjugate 3"	25	65	"InChI=1S/C104H142N22O18/c1-68(2)96(97(109)131)125-102(136)85(31-15-19-49-108)122-101(135)86(32-20-50-113-104(110)111)123-99(133)83(29-13-17-47-106)120-98(132)82(28-12-16-46-105)121-100(134)84(30-14-18-48-107)124-103(137)87-33-21-52-126(87)91(130)64-114-89(128)65-143-63-62-142-61-60-141-59-58-140-57-56-139-55-54-138-53-51-112-88(127)66-144-67-90(129)115-73-36-34-72(35-37-73)95-80-44-42-78(118-80)93(70-24-8-4-9-25-70)76-40-38-74(116-76)92(69-22-6-3-7-23-69)75-39-41-77(117-75)94(71-26-10-5-11-27-71)79-43-45-81(95)119-79/h3-11,22-27,34-45,68,82-87,96,118-119H,12-21,28-33,46-67,105-108H2,1-2H3,(H2,109,131)(H,112,127)(H,114,128)(H,115,129)(H,120,132)(H,121,134)(H,122,135)(H,123,133)(H,124,137)(H,125,136)(H4,110,111,113)/t82-,83-,84-,85-,86-,87-,96-/m0/s1"	CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)COCCOCCOCCOCCOCCOCCNC(=O)COCC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(N)=O	CC(C)C(NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)CNC(=O)COCCOCCOCCOCCOCCOCCNC(=O)COCC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(N)=O	RXBKHFQWBBYTID-NYELTZJJSA-N	.							
PDC_01458	SGRGKGGKGCGKGGAKRHRK - 7-Methoxy-4-methylcoumarin conjugate	35	80	"InChI=1S/C92H154N36O26S/c1-51(78(140)124-61(20-7-12-30-96)85(147)125-63(24-16-34-107-92(102)103)87(149)128-65(36-54-38-104-50-116-54)88(150)126-62(23-15-33-106-91(100)101)86(148)127-64(89(151)152)21-8-13-31-97)117-71(133)41-108-69(131)39-110-80(142)58(18-5-10-28-94)121-75(137)45-115-84(146)67(49-155-48-53-35-77(139)154-68-37-55(153-3)25-26-56(53)68)123-76(138)46-113-81(143)59(19-6-11-29-95)119-72(134)42-109-70(132)40-111-79(141)57(17-4-9-27-93)120-73(135)43-112-82(144)60(22-14-32-105-90(98)99)122-74(136)44-114-83(145)66(47-129)118-52(2)130/h25-26,35,37-38,50-51,57-67,129H,4-24,27-34,36,39-49,93-97H2,1-3H3,(H,104,116)(H,108,131)(H,109,132)(H,110,142)(H,111,141)(H,112,144)(H,113,143)(H,114,145)(H,115,146)(H,117,133)(H,118,130)(H,119,134)(H,120,135)(H,121,137)(H,122,136)(H,123,138)(H,124,140)(H,125,147)(H,126,150)(H,127,148)(H,128,149)(H,151,152)(H4,98,99,105)(H4,100,101,106)(H4,102,103,107)/t51-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-/m0/s1"	COc1ccc2c(CSC[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)O)cc(=O)oc2c1	COc1ccc2c(CSCC(NC(=O)CNC(=O)C(CCCCN)NC(=O)CNC(=O)CNC(=O)C(CCCCN)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C(CO)NC(C)=O)C(=O)NCC(=O)NC(CCCCN)C(=O)NCC(=O)NCC(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc3cnc[nH]3)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)O)cc(=O)oc2c1	FNFHCXCDZHRRIM-LCGLNLOJSA-N	.							
PDC_01459	"Tetrapeptide 32 - 4-[1-[(2,2,6,6-tetraethyl-4-methoxy-1-piperidinyl)oxy]ethyl]-benzenemethanol conjugate 1"	10	22	"InChI=1S/C46H71N5O10/c1-12-45(13-2)26-36(58-11)27-46(14-3,15-4)51(45)61-32(7)35-23-21-34(22-24-35)28-59-29-38(50-43(57)60-44(8,9)10)41(54)48-30(5)39(52)47-31(6)40(53)49-37(42(55)56)25-33-19-17-16-18-20-33/h16-24,30-32,36-38H,12-15,25-29H2,1-11H3,(H,47,52)(H,48,54)(H,49,53)(H,50,57)(H,55,56)/t30-,31-,32?,37-,38-/m0/s1"	CCC1(CC)CC(OC)CC(CC)(CC)N1OC(C)c1ccc(COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1	CCC1(CC)CC(OC)CC(CC)(CC)N1OC(C)c1ccc(COCC(NC(=O)OC(C)(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(Cc2ccccc2)C(=O)O)cc1	PLGOPFLKHIAIJA-OOTCOUDBSA-N	.							
PDC_01460	"Tetrapeptide 32 - 4-[1-[(2,2,6,6-tetraethyl-4-methoxy-1-piperidinyl)oxy]ethyl]-benzenemethanol conjugate 2"	12	24	"InChI=1S/C52H75N7O11/c1-12-51(13-2)30-42(67-11)31-52(14-3,15-4)59(51)70-36(7)39-23-21-38(22-24-39)32-68-33-44(57-49(64)69-50(8,9)10)48(63)54-34(5)45(60)53-35(6)46(61)56-43(29-37-19-17-16-18-20-37)47(62)55-40-25-27-41(28-26-40)58(65)66/h16-28,34-36,42-44H,12-15,29-33H2,1-11H3,(H,53,60)(H,54,63)(H,55,62)(H,56,61)(H,57,64)/t34-,35-,36?,43-,44-/m0/s1"	CCC1(CC)CC(OC)CC(CC)(CC)N1OC(C)c1ccc(COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	CCC1(CC)CC(OC)CC(CC)(CC)N1OC(C)c1ccc(COCC(NC(=O)OC(C)(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(Cc2ccccc2)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	MZUAEUXNPGLQAH-WPVNYTPNSA-N	.							
PDC_01461	"Tetrapeptide 33 - 4-[1-[(2,2,6,6-tetraethyl-4-methoxy-1-piperidinyl)oxy]ethyl]-benzenemethanol conjugate"	11	24	"InChI=1S/C52H75N5O10/c1-11-51(12-2)31-41(63-9)32-52(13-3,14-4)57(51)67-36(5)40-27-25-39(26-28-40)34-65-35-44(56-49(62)66-50(6,7)8)48(61)55-43(30-38-23-19-16-20-24-38)47(60)54-42(29-37-21-17-15-18-22-37)46(59)53-33-45(58)64-10/h15-28,36,41-44H,11-14,29-35H2,1-10H3,(H,53,59)(H,54,60)(H,55,61)(H,56,62)/t36?,42-,43-,44-/m0/s1"	CCC1(CC)CC(OC)CC(CC)(CC)N1OC(C)c1ccc(COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)OC)cc1	CCC1(CC)CC(OC)CC(CC)(CC)N1OC(C)c1ccc(COCC(NC(=O)OC(C)(C)C)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2ccccc2)C(=O)NCC(=O)OC)cc1	SGZJGWAZSPIUTQ-XYHPHBPTSA-N	.							
PDC_01462	"AFGSAFG - 4-[1-[(2,2,6,6-tetraethyl-4-methoxy-1-piperidinyl)oxy]ethyl]-benzenemethanol conjugate"	13	25	"InChI=1S/C55H78N8O12/c1-35(47(66)61-43(30-39-21-16-13-17-22-39)50(69)57-32-46(65)72-11)58-51(70)44(34-73-33-40-23-25-41(26-24-40)37(3)75-63-54(7,8)27-18-28-55(63,9)10)60-45(64)31-56-49(68)42(29-38-19-14-12-15-20-38)62-48(67)36(2)59-52(71)74-53(4,5)6/h12-17,19-26,35-37,42-44H,18,27-34H2,1-11H3,(H,56,68)(H,57,69)(H,58,70)(H,59,71)(H,60,64)(H,61,66)(H,62,67)/t35-,36-,37?,42-,43-,44-/m0/s1"	COC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](COCc1ccc(C(C)ON2C(C)(C)CCCC2(C)C)cc1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)OC(C)(C)C	COC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C(C)NC(=O)C(COCc1ccc(C(C)ON2C(C)(C)CCCC2(C)C)cc1)NC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C(C)NC(=O)OC(C)(C)C	WUMWOFWMPZUDJO-ZLJUODSISA-N	.							
PDC_01463	"Tetrapeptide 34 - 1-[1-[4-(Iodomethyl)phenyl]ethoxy]-2,2,6,6-tetramethylpiperidine conjugate"	10	17	"InChI=1S/C41H61N5O9/c1-27(35(48)44-32(23-29-15-12-11-13-16-29)36(49)42-24-34(47)52-10)43-37(50)33(45-38(51)54-39(3,4)5)26-53-25-30-17-19-31(20-18-30)28(2)55-46-40(6,7)21-14-22-41(46,8)9/h11-13,15-20,27-28,32-33H,14,21-26H2,1-10H3,(H,42,49)(H,43,50)(H,44,48)(H,45,51)/t27-,28?,32-,33-/m0/s1"	COC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](COCc1ccc(C(C)ON2C(C)(C)CCCC2(C)C)cc1)NC(=O)OC(C)(C)C	COC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C(C)NC(=O)C(COCc1ccc(C(C)ON2C(C)(C)CCCC2(C)C)cc1)NC(=O)OC(C)(C)C	RHPJFTQLNKYUQO-AXNXCGCCSA-N	.							
PDC_01464	"FGSFG - 1-[1-[4-(Iodomethyl)phenyl]ethoxy]-2,2,6,6-tetramethylpiperidine conjugate"	11	21	"InChI=1S/C49H68N6O10/c1-33(65-55-48(5,6)25-16-26-49(55,7)8)37-23-21-36(22-24-37)31-63-32-40(45(60)53-38(27-34-17-12-10-13-18-34)43(58)51-30-42(57)62-9)52-41(56)29-50-44(59)39(28-35-19-14-11-15-20-35)54-46(61)64-47(2,3)4/h10-15,17-24,33,38-40H,16,25-32H2,1-9H3,(H,50,59)(H,51,58)(H,52,56)(H,53,60)(H,54,61)/t33?,38-,39-,40-/m0/s1"	COC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](COCc1ccc(C(C)ON2C(C)(C)CCCC2(C)C)cc1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	COC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C(COCc1ccc(C(C)ON2C(C)(C)CCCC2(C)C)cc1)NC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C	ZXMSWSRFCRMKSZ-HWWXCGONSA-N	.							
PDC_01465	"Tripeptide 78 - 1-[1-[4-(Iodomethyl)phenyl]ethoxy]-2,2,6,6-tetramethylpiperidine conjugate"	9	15	"InChI=1S/C38H56N4O8/c1-26(50-42-37(5,6)20-13-21-38(42,7)8)29-18-16-28(17-19-29)24-48-25-31(41-35(46)49-36(2,3)4)34(45)40-30(22-27-14-11-10-12-15-27)33(44)39-23-32(43)47-9/h10-12,14-19,26,30-31H,13,20-25H2,1-9H3,(H,39,44)(H,40,45)(H,41,46)/t26?,30-,31-/m0/s1"	COC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](COCc1ccc(C(C)ON2C(C)(C)CCCC2(C)C)cc1)NC(=O)OC(C)(C)C	COC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C(COCc1ccc(C(C)ON2C(C)(C)CCCC2(C)C)cc1)NC(=O)OC(C)(C)C	SLWHHWYUWPFLEU-GIMKPLNSSA-N	.							
PDC_01466	"Tetrapeptide 35 - 1-[(5R,6R,8R,9R)-4-amino-9-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-6-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-2,2-dioxido-1,7-dioxa-2-thiaspiro[4.4]non-3-en-8-yl]-3-(3-aminopropyl)-5-methyl-2,4(1H,3H)-pyrimidinedione conjugate 1"	16	19	"InChI=1S/C43H78N8O12SSi2/c1-24(2)31(45)36(54)47-28(7)35(53)49-32(25(3)4)37(55)48-27(6)34(52)46-19-18-20-50-38(56)26(5)21-51(40(50)57)39-33(62-66(16,17)42(11,12)13)43(29(44)23-64(58,59)63-43)30(61-39)22-60-65(14,15)41(8,9)10/h21,23-25,27-28,30-33,39H,18-20,22,44-45H2,1-17H3,(H,46,52)(H,47,54)(H,48,55)(H,49,53)/t27-,28-,30+,31-,32-,33-,39+,43+/m0/s1"	Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(C)C)c1=O	Cc1cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCNC(=O)C(C)NC(=O)C(NC(=O)C(C)NC(=O)C(N)C(C)C)C(C)C)c1=O	DHDLCRUWPMBQIS-QQJIIMRXSA-N	.							
PDC_01467	"Tetrapeptide 36 - 1-[(5R,6R,8R,9R)-4-amino-9-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-6-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-2,2-dioxido-1,7-dioxa-2-thiaspiro[4.4]non-3-en-8-yl]-3-(3-aminopropyl)-5-methyl-2,4(1H,3H)-pyrimidinedione conjugate 3"	21	29	"InChI=1S/C70H99N9O18SSi2/c1-47-41-79(64-58(96-100(10,11)69(5,6)7)70(55(71)46-98(89,90)97-70)56(95-64)45-94-99(8,9)68(2,3)4)67(88)78(61(47)83)39-25-36-72-59(81)53-33-23-37-76(53)63(85)52(40-57(80)91-42-48-26-15-12-16-27-48)74-60(82)54-34-24-38-77(54)62(84)51(75-66(87)93-44-50-30-19-14-20-31-50)32-21-22-35-73-65(86)92-43-49-28-17-13-18-29-49/h12-20,26-31,41,46,51-54,56,58,64H,21-25,32-40,42-45,71H2,1-11H3,(H,72,81)(H,73,86)(H,74,82)(H,75,87)/t51-,52-,53-,54-,56+,58-,64+,70+/m0/s1"	Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCNC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCNC(=O)OCc2ccccc2)NC(=O)OCc2ccccc2)c1=O	Cc1cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCNC(=O)C2CCCN2C(=O)C(CC(=O)OCc2ccccc2)NC(=O)C2CCCN2C(=O)C(CCCCNC(=O)OCc2ccccc2)NC(=O)OCc2ccccc2)c1=O	LYPLLZUZWLWASQ-NYNULRPTSA-N	.							
PDC_01468	"Tetrapeptide 35 - 1-[(5R,6R,8R,9R)-4-amino-9-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-6-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-2,2-dioxido-1,7-dioxa-2-thiaspiro[4.4]non-3-en-8-yl]-3-(3-aminopropyl)-5-methyl-2,4(1H,3H)-pyrimidinedione conjugate 2"	17	22	"InChI=1S/C51H84N8O14SSi2/c1-30(2)38(56-42(61)34(7)55-44(63)39(31(3)4)57-47(65)69-27-35-22-19-18-20-23-35)43(62)54-33(6)41(60)53-24-21-25-58-45(64)32(5)26-59(48(58)66)46-40(72-76(16,17)50(11,12)13)51(36(52)29-74(67,68)73-51)37(71-46)28-70-75(14,15)49(8,9)10/h18-20,22-23,26,29-31,33-34,37-40,46H,21,24-25,27-28,52H2,1-17H3,(H,53,60)(H,54,62)(H,55,63)(H,56,61)(H,57,65)/t33-,34-,37+,38-,39-,40-,46+,51+/m0/s1"	Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)C(C)C)c1=O	Cc1cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCNC(=O)C(C)NC(=O)C(NC(=O)C(C)NC(=O)C(NC(=O)OCc2ccccc2)C(C)C)C(C)C)c1=O	CHHFCVDUBOHXDL-AMZGGYHYSA-N	.							
PDC_01469	"Tetrapeptide 21 - 1-[(5R,6R,8R,9R)-4-amino-9-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-6-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-2,2-dioxido-1,7-dioxa-2-thiaspiro[4.4]non-3-en-8-yl]-3-(3-aminopropyl)-5-methyl-2,4(1H,3H)-pyrimidinedione conjugate 1"	17	21	"InChI=1S/C53H86N8O14SSi2/c1-32(2)40(58-49(67)71-29-36-22-18-17-19-23-36)45(64)56-35(6)43(62)57-41(33(3)4)47(66)59-26-20-24-37(59)44(63)55-25-21-27-60-46(65)34(5)28-61(50(60)68)48-42(74-78(15,16)52(10,11)12)53(38(54)31-76(69,70)75-53)39(73-48)30-72-77(13,14)51(7,8)9/h17-19,22-23,28,31-33,35,37,39-42,48H,20-21,24-27,29-30,54H2,1-16H3,(H,55,63)(H,56,64)(H,57,62)(H,58,67)/t35-,37-,39+,40-,41-,42-,48+,53+/m0/s1"	Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)C(C)C)c1=O	Cc1cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCNC(=O)C2CCCN2C(=O)C(NC(=O)C(C)NC(=O)C(NC(=O)OCc2ccccc2)C(C)C)C(C)C)c1=O	KUBKZSDVQGZGBF-XLIWVQDWSA-N	.							
PDC_01470	"Tetrapeptide 21 - 1-[(5R,6R,8R,9R)-4-amino-9-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-6-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-2,2-dioxido-1,7-dioxa-2-thiaspiro[4.4]non-3-en-8-yl]-3-(3-aminopropyl)-5-methyl-2,4(1H,3H)-pyrimidinedione conjugate 2"	16	18	"InChI=1S/C45H80N8O12SSi2/c1-26(2)33(47)38(56)49-29(6)36(54)50-34(27(3)4)40(58)51-21-17-19-30(51)37(55)48-20-18-22-52-39(57)28(5)23-53(42(52)59)41-35(64-68(15,16)44(10,11)12)45(31(46)25-66(60,61)65-45)32(63-41)24-62-67(13,14)43(7,8)9/h23,25-27,29-30,32-35,41H,17-22,24,46-47H2,1-16H3,(H,48,55)(H,49,56)(H,50,54)/t29-,30-,32+,33-,34-,35-,41+,45+/m0/s1"	Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(C)C)c1=O	Cc1cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCNC(=O)C2CCCN2C(=O)C(NC(=O)C(C)NC(=O)C(N)C(C)C)C(C)C)c1=O	GFPVWKHOUTZABA-OEUZQPTPSA-N	.							
PDC_01471	"Tetrapeptide 20 - 1-[(5R,6R,8R,9R)-4-amino-9-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-6-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-2,2-dioxido-1,7-dioxa-2-thiaspiro[4.4]non-3-en-8-yl]-3-(3-aminopropyl)-5-methyl-2,4(1H,3H)-pyrimidinedione conjugate 1"	17	20	"InChI=1S/C55H88N8O14SSi2/c1-34(2)42(58-46(65)39-25-20-28-61(39)49(68)43(35(3)4)59-51(69)73-31-37-22-17-16-18-23-37)48(67)60-27-19-24-38(60)45(64)57-26-21-29-62-47(66)36(5)30-63(52(62)70)50-44(76-80(14,15)54(9,10)11)55(40(56)33-78(71,72)77-55)41(75-50)32-74-79(12,13)53(6,7)8/h16-18,22-23,30,33-35,38-39,41-44,50H,19-21,24-29,31-32,56H2,1-15H3,(H,57,64)(H,58,65)(H,59,69)/t38-,39-,41+,42-,43-,44-,50+,55+/m0/s1"	Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)C(C)C)c1=O	Cc1cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCNC(=O)C2CCCN2C(=O)C(NC(=O)C2CCCN2C(=O)C(NC(=O)OCc2ccccc2)C(C)C)C(C)C)c1=O	GYVMEBAVNRDIFL-YMEKTARNSA-N	.							
PDC_01472	"Tetrapeptide 20 - 1-[(5R,6R,8R,9R)-4-amino-9-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-6-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-2,2-dioxido-1,7-dioxa-2-thiaspiro[4.4]non-3-en-8-yl]-3-(3-aminopropyl)-5-methyl-2,4(1H,3H)-pyrimidinedione conjugate 2"	16	17	"InChI=1S/C47H82N8O12SSi2/c1-28(2)35(49)41(59)52-22-17-20-32(52)39(57)51-36(29(3)4)42(60)53-23-16-19-31(53)38(56)50-21-18-24-54-40(58)30(5)25-55(44(54)61)43-37(66-70(14,15)46(9,10)11)47(33(48)27-68(62,63)67-47)34(65-43)26-64-69(12,13)45(6,7)8/h25,27-29,31-32,34-37,43H,16-24,26,48-49H2,1-15H3,(H,50,56)(H,51,57)/t31-,32-,34+,35-,36-,37-,43+,47+/m0/s1"	Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)C(C)C)C(C)C)c1=O	Cc1cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCNC(=O)C2CCCN2C(=O)C(NC(=O)C2CCCN2C(=O)C(N)C(C)C)C(C)C)c1=O	ALRMJVPHIXOTEW-YZXMMCQNSA-N	.							
PDC_01473	"Tetrapeptide 36 - 1-[(5R,6R,8R,9R)-4-amino-9-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-6-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-2,2-dioxido-1,7-dioxa-2-thiaspiro[4.4]non-3-en-8-yl]-3-(3-aminopropyl)-5-methyl-2,4(1H,3H)-pyrimidinedione conjugate 4"	18	21	"InChI=1S/C47H81N9O14SSi2/c1-29-26-56(43-37(69-73(10,11)46(5,6)7)47(34(50)28-71(65,66)70-47)35(68-43)27-67-72(8,9)45(2,3)4)44(64)55(40(29)61)24-16-21-51-38(59)32-18-14-23-54(32)42(63)31(25-36(57)58)52-39(60)33-19-15-22-53(33)41(62)30(49)17-12-13-20-48/h26,28,30-33,35,37,43H,12-25,27,48-50H2,1-11H3,(H,51,59)(H,52,60)(H,57,58)/t30-,31-,32-,33-,35+,37-,43+,47+/m0/s1"	Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCNC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCCN)c1=O	Cc1cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCNC(=O)C2CCCN2C(=O)C(CC(=O)O)NC(=O)C2CCCN2C(=O)C(N)CCCCN)c1=O	KBZMXORCURTQGQ-WQWRWXMRSA-N	.							
PDC_01474	WTGWCLNPEESTWGFCTGSF - Paclitaxel succinate conjugate 1	48	61	"InChI=1S/C163H198N26O46S2/c1-14-62-228-127(203)58-55-105-144(211)182-115(80-191)150(217)187-133(88(8)194)156(223)180-110(67-96-73-166-102-51-34-31-48-99(96)102)142(209)169-76-124(200)173-109(66-92-40-23-17-24-41-92)146(213)184-117(152(219)186-132(87(7)193)155(222)171-78-126(202)175-114(79-190)149(216)178-107(140(165)207)65-91-38-21-16-22-39-91)82-237-236-81-116(151(218)179-108(64-84(3)4)145(212)181-113(70-122(164)198)157(224)189-61-37-54-118(189)153(220)177-106(143(210)176-105)56-59-128(204)229-63-15-2)183-147(214)111(68-97-74-167-103-52-35-32-49-100(97)103)174-125(201)77-170-154(221)131(86(6)192)185-148(215)112(69-98-75-168-104-53-36-33-50-101(98)104)172-123(199)57-60-129(205)233-136(134(93-42-25-18-26-43-93)188-141(208)94-44-27-19-28-45-94)159(226)232-119-72-163(227)139(234-158(225)95-46-29-20-30-47-95)137-161(13,120(197)71-121-162(137,83-230-121)235-90(10)196)138(206)135(231-89(9)195)130(85(119)5)160(163,11)12/h14-36,38-53,73-75,84,86-88,105-121,131-137,139,166-168,190-194,197,227H,1-2,37,54-72,76-83H2,3-13H3,(H2,164,198)(H2,165,207)(H,169,209)(H,170,221)(H,171,222)(H,172,199)(H,173,200)(H,174,201)(H,175,202)(H,176,210)(H,177,220)(H,178,216)(H,179,218)(H,180,223)(H,181,212)(H,182,211)(H,183,214)(H,184,213)(H,185,215)(H,186,219)(H,187,217)(H,188,208)/t86-,87-,88-,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,120+,121-,131+,132+,133+,134+,135-,136-,137+,139+,161-,162+,163-/m1/s1"	C=CCOC(=O)CC[C@@H]1NC(=O)[C@H](CCC(=O)OCC=C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CCC(=O)O[C@@H](C(=O)O[C@H]2C[C@@]3(O)[C@@H](OC(=O)c4ccccc4)[C@@H]4[C@]5(OC(C)=O)CO[C@@H]5C[C@H](O)[C@@]4(C)C(=O)[C@H](OC(C)=O)C(=C2C)C3(C)C)[C@@H](NC(=O)c2ccccc2)c2ccccc2)[C@@H](C)O)CSSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC1=O	C=CCOC(=O)CCC1NC(=O)C(CCC(=O)OCC=C)NC(=O)C2CCCN2C(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)C(NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)CCC(=O)OC(C(=O)OC2CC3(O)C(OC(=O)c4ccccc4)C4C5(OC(C)=O)COC5CC(O)C4(C)C(=O)C(OC(C)=O)C(=C2C)C3(C)C)C(NC(=O)c2ccccc2)c2ccccc2)C(C)O)CSSCC(C(=O)NC(C(=O)NCC(=O)NC(CO)C(=O)NC(Cc2ccccc2)C(N)=O)C(C)O)NC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(C(C)O)NC(=O)C(CO)NC1=O	YPDYGOVIPXTDJM-DIVCWKHTSA-N	.							
PDC_01475	WTGWCLNPEESTWGFCTGSF - Paclitaxel succinate conjugate 2	46	57	"InChI=1S/C157H190N26O46S2/c1-78(2)58-102-139(208)175-107(64-116(158)192)151(220)183-57-33-50-112(183)147(216)171-100(52-55-122(199)200)137(206)170-99(51-54-121(197)198)138(207)176-109(74-185)144(213)181-127(82(6)188)150(219)174-104(61-90-67-160-96-47-30-27-44-93(90)96)136(205)163-70-118(194)167-103(60-86-36-19-13-20-37-86)140(209)178-111(146(215)180-126(81(5)187)149(218)165-72-120(196)169-108(73-184)143(212)172-101(134(159)203)59-85-34-17-12-18-35-85)76-231-230-75-110(145(214)173-102)177-141(210)105(62-91-68-161-97-48-31-28-45-94(91)97)168-119(195)71-164-148(217)125(80(4)186)179-142(211)106(63-92-69-162-98-49-32-29-46-95(92)98)166-117(193)53-56-123(201)227-130(128(87-38-21-14-22-39-87)182-135(204)88-40-23-15-24-41-88)153(222)226-113-66-157(223)133(228-152(221)89-42-25-16-26-43-89)131-155(11,114(191)65-115-156(131,77-224-115)229-84(8)190)132(202)129(225-83(7)189)124(79(113)3)154(157,9)10/h12-32,34-49,67-69,78,80-82,99-115,125-131,133,160-162,184-188,191,223H,33,50-66,70-77H2,1-11H3,(H2,158,192)(H2,159,203)(H,163,205)(H,164,217)(H,165,218)(H,166,193)(H,167,194)(H,168,195)(H,169,196)(H,170,206)(H,171,216)(H,172,212)(H,173,214)(H,174,219)(H,175,208)(H,176,207)(H,177,210)(H,178,209)(H,179,211)(H,180,215)(H,181,213)(H,182,204)(H,197,198)(H,199,200)/t80-,81-,82-,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115-,125+,126+,127+,128+,129-,130-,131+,133+,155-,156+,157-/m1/s1"	CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](OC(=O)CCC(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@H]4CSSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc5ccccc5)C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc5ccccc5)NC(=O)CNC(=O)[C@H](Cc5c[nH]c6ccccc56)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC4=O)[C@@H](C)O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(OC(=O)CCC(=O)NC(Cc3c[nH]c4ccccc34)C(=O)NC(C(=O)NCC(=O)NC(Cc3c[nH]c4ccccc34)C(=O)NC3CSSCC(C(=O)NC(C(=O)NCC(=O)NC(CO)C(=O)NC(Cc4ccccc4)C(N)=O)C(C)O)NC(=O)C(Cc4ccccc4)NC(=O)CNC(=O)C(Cc4c[nH]c5ccccc45)NC(=O)C(C(C)O)NC(=O)C(CO)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C4CCCN4C(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC3=O)C(C)O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	MFNAIIQIHPVWKW-DTMRHDTJSA-N	.							
PDC_01476	"ACKGGGGXQ - (3&alpha;,5&beta;,7&alpha;,12&alpha;)-7-(acetyloxy)-12-[[(1,1-dimethylethoxy)carbonyl]amino]-3-[[(2-propen-1-yloxy)carbonyl]amino]-cholan-24-oic acid conjugate 1"	15	12	"InChI=1S/C53H87N13O13S/c1-27(8-12-39(55)68)31-9-10-32-47-33-21-38(53(31,32)4)66-46(75)25-59-44(73)23-57-43(72)22-58-45(74)24-60-49(77)34(7-5-6-18-54)64-51(79)36(26-80)65-48(76)28(2)61-50(78)35(11-13-40(56)69)63-42(71)15-14-41(70)62-30-16-17-52(33,3)29(19-30)20-37(47)67/h27-38,47,67,80H,5-26,54H2,1-4H3,(H2,55,68)(H2,56,69)(H,57,72)(H,58,74)(H,59,73)(H,60,77)(H,61,78)(H,62,70)(H,63,71)(H,64,79)(H,65,76)(H,66,75)/t27-,28+,29+,30-,31-,32+,33+,34+,35+,36+,37-,38+,47+,52+,53-/m1/s1"	C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)CCC(=O)N[C@@H]2CC[C@@]3(C)[C@@H](C2)C[C@@H](O)[C@@H]2[C@@H]3C[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC1=O)[C@]1(C)[C@@H]([C@H](C)CCC(N)=O)CC[C@@H]21	CC1NC(=O)C(CCC(N)=O)NC(=O)CCC(=O)NC2CCC3(C)C(C2)CC(O)C2C3CC(NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)C(CCCCN)NC(=O)C(CS)NC1=O)C1(C)C(C(C)CCC(N)=O)CCC21	KVAKKXNVLGDYTA-MGDMAJMZSA-N	.							
PDC_01477	"ACKGGGGXQ - (3&alpha;,5&beta;,7&alpha;,12&alpha;)-7-(acetyloxy)-12-[[(1,1-dimethylethoxy)carbonyl]amino]-3-[[(2-propen-1-yloxy)carbonyl]amino]-cholan-24-oic acid conjugate 2"	20	21	"InChI=1S/C66H103N15O18S/c1-34(12-17-53(85)74-35(2)39-26-48(98-6)49(28-46(39)81(96)97)99-23-9-11-51(68)83)40-13-14-41-60-42-27-50(66(40,41)5)80-59(91)32-72-57(89)30-70-56(88)29-71-58(90)31-73-62(93)43(10-7-8-22-67)78-64(95)45(33-100)79-61(92)36(3)75-63(94)44(15-16-52(69)84)77-55(87)19-18-54(86)76-38-20-21-65(42,4)37(24-38)25-47(60)82/h26,28,34-38,40-45,47,50,60,82,100H,7-25,27,29-33,67H2,1-6H3,(H2,68,83)(H2,69,84)(H,70,88)(H,71,90)(H,72,89)(H,73,93)(H,74,85)(H,75,94)(H,76,86)(H,77,87)(H,78,95)(H,79,92)(H,80,91)/t34-,35?,36+,37+,38-,40-,41+,42+,43+,44+,45+,47-,50+,60+,65+,66-/m1/s1"	COc1cc(C(C)NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)C[C@@H]5C[C@H]6CC[C@]5(C)[C@H]4C[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CCC(=O)N6)[C@]23C)c([N+](=O)[O-])cc1OCCCC(N)=O	COc1cc(C(C)NC(=O)CCC(C)C2CCC3C4C(O)CC5CC6CCC5(C)C4CC(NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)C(CCCCN)NC(=O)C(CS)NC(=O)C(C)NC(=O)C(CCC(N)=O)NC(=O)CCC(=O)N6)C23C)c([N+](=O)[O-])cc1OCCCC(N)=O	OGKRNQBFQKQZQZ-WOYNLQHWSA-N	.							
PDC_01478	"ACKGGGGXQ - (3&alpha;,5&beta;,7&alpha;,12&alpha;)-7-(acetyloxy)-12-[[(1,1-dimethylethoxy)carbonyl]amino]-3-[[(2-propen-1-yloxy)carbonyl]amino]-cholan-24-oic acid conjugate 3"	21	31	"InChI=1S/C109H139N15O20S/c1-67(45-49-91(127)116-68(2)78-59-87(142-9)88(61-85(78)124(140)141)143-56-30-44-90(110)126)79-46-47-80-99-81-60-89(107(79,80)8)122-98(134)65-114-96(132)63-112-95(131)62-113-97(133)64-115-101(136)82(43-28-29-55-111-104(139)144-105(4,5)6)120-103(138)84(66-145-109(73-37-22-13-23-38-73,74-39-24-14-25-40-74)75-41-26-15-27-42-75)121-100(135)69(3)117-102(137)83(119-93(129)52-51-92(128)118-77-53-54-106(81,7)76(57-77)58-86(99)125)48-50-94(130)123-108(70-31-16-10-17-32-70,71-33-18-11-19-34-71)72-35-20-12-21-36-72/h10-27,31-42,59,61,67-69,76-77,79-84,86,89,99,125H,28-30,43-58,60,62-66H2,1-9H3,(H2,110,126)(H,111,139)(H,112,131)(H,113,133)(H,114,132)(H,115,136)(H,116,127)(H,117,137)(H,118,128)(H,119,129)(H,120,138)(H,121,135)(H,122,134)(H,123,130)/t67-,68?,69+,76+,77-,79-,80+,81+,82+,83+,84+,86-,89+,99+,106+,107-/m1/s1"	COc1cc(C(C)NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)C[C@@H]5C[C@H]6CC[C@]5(C)[C@H]4C[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H](CSC(c4ccccc4)(c4ccccc4)c4ccccc4)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)NC(c4ccccc4)(c4ccccc4)c4ccccc4)NC(=O)CCC(=O)N6)[C@]23C)c([N+](=O)[O-])cc1OCCCC(N)=O	COc1cc(C(C)NC(=O)CCC(C)C2CCC3C4C(O)CC5CC6CCC5(C)C4CC(NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(CSC(c4ccccc4)(c4ccccc4)c4ccccc4)NC(=O)C(C)NC(=O)C(CCC(=O)NC(c4ccccc4)(c4ccccc4)c4ccccc4)NC(=O)CCC(=O)N6)C23C)c([N+](=O)[O-])cc1OCCCC(N)=O	YOBZOFIOFLYYCV-LYLGYTPNSA-N	.							
PDC_01479	"GGGGXQACK - (3&alpha;,5&beta;,7&alpha;,12&alpha;)-7-(acetyloxy)-12-[[(1,1-dimethylethoxy)carbonyl]amino]-3-[[(2-propen-1-yloxy)carbonyl]amino]-cholan-24-oic acid conjugate 1"	22	51	"InChI=1S/C109H141N15O21S/c1-67(45-49-91(127)116-68(2)78-59-87(143-9)88(61-85(78)124(141)142)144-56-30-44-90(111)126)79-46-47-80-99-81(60-89(107(79,80)8)122-98(134)65-115-97(133)64-114-96(132)63-113-95(131)62-110)106(7)54-53-77(57-76(106)58-86(99)125)118-92(128)51-52-93(129)119-82(48-50-94(130)123-108(70-31-16-10-17-32-70,71-33-18-11-19-34-71)72-35-20-12-21-36-72)101(136)117-69(3)100(135)121-84(102(137)120-83(103(138)139)43-28-29-55-112-104(140)145-105(4,5)6)66-146-109(73-37-22-13-23-38-73,74-39-24-14-25-40-74)75-41-26-15-27-42-75/h10-27,31-42,59,61,67-69,76-77,79-84,86,89,99,125H,28-30,43-58,60,62-66,110H2,1-9H3,(H2,111,126)(H,112,140)(H,113,131)(H,114,132)(H,115,133)(H,116,127)(H,117,136)(H,118,128)(H,119,129)(H,120,137)(H,121,135)(H,122,134)(H,123,130)(H,138,139)/t67-,68?,69+,76+,77-,79-,80+,81+,82+,83+,84+,86-,89+,99+,106+,107-/m1/s1"	COc1cc(C(C)NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)C[C@@H]5C[C@H](NC(=O)CCC(=O)N[C@@H](CCC(=O)NC(c6ccccc6)(c6ccccc6)c6ccccc6)C(=O)N[C@@H](C)C(=O)N[C@@H](CSC(c6ccccc6)(c6ccccc6)c6ccccc6)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)O)CC[C@]5(C)[C@H]4C[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)[C@]23C)c([N+](=O)[O-])cc1OCCCC(N)=O	COc1cc(C(C)NC(=O)CCC(C)C2CCC3C4C(O)CC5CC(NC(=O)CCC(=O)NC(CCC(=O)NC(c6ccccc6)(c6ccccc6)c6ccccc6)C(=O)NC(C)C(=O)NC(CSC(c6ccccc6)(c6ccccc6)c6ccccc6)C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)O)CCC5(C)C4CC(NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)C23C)c([N+](=O)[O-])cc1OCCCC(N)=O	NLMUNOUCPYGFLS-LYLGYTPNSA-N	.							
PDC_01480	"GGGGXQACK - (3&alpha;,5&beta;,7&alpha;,12&alpha;)-7-(acetyloxy)-12-[[(1,1-dimethylethoxy)carbonyl]amino]-3-[[(2-propen-1-yloxy)carbonyl]amino]-cholan-24-oic acid conjugate"	25	55	"InChI=1S/C127H155N15O24S/c1-78(55-59-108(145)134-79(2)94-69-103(161-10)104(71-102(94)142(159)160)163-66-36-54-107(128)144)96-56-57-97-116-98(70-106(125(96,97)9)140-115(152)75-132-113(150)73-130-112(149)72-131-114(151)74-133-121(157)164-76-95-92-51-32-30-49-90(92)91-50-31-33-52-93(91)95)124(8)64-63-89(67-88(124)68-105(116)165-81(4)143)136-109(146)61-62-110(147)137-99(58-60-111(148)141-126(82-37-18-12-19-38-82,83-39-20-13-21-40-83)84-41-22-14-23-42-84)118(154)135-80(3)117(153)139-101(119(155)138-100(120(156)162-11)53-34-35-65-129-122(158)166-123(5,6)7)77-167-127(85-43-24-15-25-44-85,86-45-26-16-27-46-86)87-47-28-17-29-48-87/h12-33,37-52,69,71,78-80,88-89,95-101,105-106,116H,34-36,53-68,70,72-77H2,1-11H3,(H2,128,144)(H,129,158)(H,130,149)(H,131,151)(H,132,150)(H,133,157)(H,134,145)(H,135,154)(H,136,146)(H,137,147)(H,138,155)(H,139,153)(H,140,152)(H,141,148)/t78?,79?,80-,88-,89+,96+,97-,98-,99-,100-,101-,105+,106-,116-,124-,125+/m0/s1"	COC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)CCC(=O)N[C@@H]1CC[C@@]2(C)[C@@H](C1)C[C@@H](OC(C)=O)[C@@H]1[C@@H]2C[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)[C@]2(C)[C@@H](C(C)CCC(=O)NC(C)c3cc(OC)c(OCCCC(N)=O)cc3[N+](=O)[O-])CC[C@@H]12	COC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)C(C)NC(=O)C(CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)CCC(=O)NC1CCC2(C)C(C1)CC(OC(C)=O)C1C2CC(NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)C2(C)C(C(C)CCC(=O)NC(C)c3cc(OC)c(OCCCC(N)=O)cc3[N+](=O)[O-])CCC12	JVQBGLVYZJGZCD-CMDRQOLMSA-N	.							
PDC_01481	"Tetrapeptide 37 - (3&alpha;,5&beta;,7&alpha;,12&alpha;)-7-(acetyloxy)-12-[[(1,1-dimethylethoxy)carbonyl]amino]-3-[[(2-propen-1-yloxy)carbonyl]amino]-cholan-24-oic acid conjugate"	16	29	"InChI=1S/C66H87N9O17/c1-36(17-20-56(78)72-37(2)45-28-51(89-6)52(30-50(45)75(87)88)90-25-11-16-55(67)77)47-18-19-48-63-49(65(4)24-23-40(73-57(79)21-22-62(84)85)26-39(65)27-53(63)92-38(3)76)29-54(66(47,48)5)74-61(83)34-70-59(81)32-68-58(80)31-69-60(82)33-71-64(86)91-35-46-43-14-9-7-12-41(43)42-13-8-10-15-44(42)46/h7-10,12-15,28,30,36-37,39-40,46-49,53-54,63H,11,16-27,29,31-35H2,1-6H3,(H2,67,77)(H,68,80)(H,69,82)(H,70,81)(H,71,86)(H,72,78)(H,73,79)(H,74,83)(H,84,85)/t36-,37?,39+,40-,47-,48+,49+,53-,54+,63+,65+,66-/m1/s1"	COc1cc(C(C)NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](OC(C)=O)C[C@@H]5C[C@H](NC(=O)CCC(=O)O)CC[C@]5(C)[C@H]4C[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)OCC4c5ccccc5-c5ccccc54)[C@]23C)c([N+](=O)[O-])cc1OCCCC(N)=O	COc1cc(C(C)NC(=O)CCC(C)C2CCC3C4C(OC(C)=O)CC5CC(NC(=O)CCC(=O)O)CCC5(C)C4CC(NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)OCC4c5ccccc5-c5ccccc54)C23C)c([N+](=O)[O-])cc1OCCCC(N)=O	HIXVDINNQHCWEL-QKWKYAMGSA-N	.							
PDC_01483	"SATSSSGSGS - L-Serine-N-(2,3-dihydroxybenzoyl)-O-[N-(2,3-dihydroxybenzoyl)-O-[N-(5-&beta;-D-glucopyranosyl-2,3-dihydroxybenzoyl)-L-seryl]-L-seryl]-(313)-lactone conjugate"	38	35	"InChI=1S/C65H85N13O37/c1-23(69-56(101)29(66)13-79)52(97)78-44(24(2)85)61(106)74-33(17-83)60(105)73-32(16-82)59(104)72-31(15-81)58(103)68-11-42(89)70-30(14-80)57(102)67-12-43(90)71-34(18-84)62(107)114-22-41-48(94)49(95)50(96)51(115-41)25-9-28(47(93)40(88)10-25)55(100)77-37-21-113-64(109)35(75-53(98)26-5-3-7-38(86)45(26)91)19-111-63(108)36(20-112-65(37)110)76-54(99)27-6-4-8-39(87)46(27)92/h3-10,23-24,29-37,41,44,48-51,79-88,91-96H,11-22,66H2,1-2H3,(H,67,102)(H,68,103)(H,69,101)(H,70,89)(H,71,90)(H,72,104)(H,73,105)(H,74,106)(H,75,98)(H,76,99)(H,77,100)(H,78,97)/t23-,24+,29-,30-,31-,32-,33-,34-,35-,36-,37-,41+,44-,48+,49-,50+,51-/m0/s1"	C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)OC[C@H]1O[C@@H](c2cc(O)c(O)c(C(=O)N[C@H]3COC(=O)[C@@H](NC(=O)c4cccc(O)c4O)COC(=O)[C@@H](NC(=O)c4cccc(O)c4O)COC3=O)c2)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H](C)O	CC(NC(=O)C(N)CO)C(=O)NC(C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CO)C(=O)NCC(=O)NC(CO)C(=O)NCC(=O)NC(CO)C(=O)OCC1OC(c2cc(O)c(O)c(C(=O)NC3COC(=O)C(NC(=O)c4cccc(O)c4O)COC(=O)C(NC(=O)c4cccc(O)c4O)COC3=O)c2)C(O)C(O)C1O)C(C)O	MEIHBKWOMFVWKQ-VDTLQIGGSA-N	.							
PDC_01484	"NSATSSSGSGS - L-Serine-N-(2,3-dihydroxybenzoyl)-O-[N-(2,3-dihydroxybenzoyl)-O-[N-(5-&beta;-D-glucopyranosyl-2,3-dihydroxybenzoyl)-L-seryl]-L-seryl]-(313)-lactone conjugate"	40	39	"InChI=1S/C69H91N15O39/c1-24(74-62(111)33(16-87)77-59(108)30(70)11-44(71)95)55(104)84-47(25(2)91)65(114)80-35(18-89)64(113)79-34(17-88)63(112)78-32(15-86)61(110)73-12-45(96)75-31(14-85)60(109)72-13-46(97)76-36(19-90)66(115)122-23-43-51(101)52(102)53(103)54(123-43)26-9-29(50(100)42(94)10-26)58(107)83-39-22-121-68(117)37(81-56(105)27-5-3-7-40(92)48(27)98)20-119-67(116)38(21-120-69(39)118)82-57(106)28-6-4-8-41(93)49(28)99/h3-10,24-25,30-39,43,47,51-54,85-94,98-103H,11-23,70H2,1-2H3,(H2,71,95)(H,72,109)(H,73,110)(H,74,111)(H,75,96)(H,76,97)(H,77,108)(H,78,112)(H,79,113)(H,80,114)(H,81,105)(H,82,106)(H,83,107)(H,84,104)/t24-,25+,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,43+,47-,51+,52-,53+,54-/m0/s1"	C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)OC[C@H]1O[C@@H](c2cc(O)c(O)c(C(=O)N[C@H]3COC(=O)[C@@H](NC(=O)c4cccc(O)c4O)COC(=O)[C@@H](NC(=O)c4cccc(O)c4O)COC3=O)c2)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H](C)O	CC(NC(=O)C(CO)NC(=O)C(N)CC(N)=O)C(=O)NC(C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CO)C(=O)NCC(=O)NC(CO)C(=O)NCC(=O)NC(CO)C(=O)OCC1OC(c2cc(O)c(O)c(C(=O)NC3COC(=O)C(NC(=O)c4cccc(O)c4O)COC(=O)C(NC(=O)c4cccc(O)c4O)COC3=O)c2)C(O)C(O)C1O)C(C)O	IQMBRNCTTYTYOW-URPDHHKVSA-N	.							
PDC_01485	KXCKXC - Paclitaxel derivative conjugate	41	50	"InChI=1S/C126H155N11O37S2/c1-66-83(58-125(161)103(171-111(155)77-48-32-22-33-49-77)99-121(16,85(143)56-87-123(99,64-163-87)173-71(6)141)101(147)95(165-69(4)139)91(66)117(125,8)9)167-113(157)97(93(73-40-24-18-25-41-73)134-106(150)75-44-28-20-29-45-75)169-89(145)62-175-60-81(105(129)149)132-115(159)119(12,13)137-110(154)80(53-37-39-55-128)131-108(152)82(133-116(160)120(14,15)136-109(153)79(130-68(3)138)52-36-38-54-127)61-176-63-90(146)170-98(94(74-42-26-19-27-43-74)135-107(151)76-46-30-21-31-47-76)114(158)168-84-59-126(162)104(172-112(156)78-50-34-23-35-51-78)100-122(17,86(144)57-88-124(100,65-164-88)174-72(7)142)102(148)96(166-70(5)140)92(67(84)2)118(126,10)11/h18-35,40-51,79-88,93-100,103-104,143-144,161-162H,36-39,52-65,127-128H2,1-17H3,(H2,129,149)(H,130,138)(H,131,152)(H,132,159)(H,133,160)(H,134,150)(H,135,151)(H,136,153)(H,137,154)/t79-,80-,81-,82-,83-,84-,85-,86-,87+,88+,93-,94-,95+,96+,97+,98+,99-,100-,103-,104-,121+,122+,123-,124-,125+,126+/m0/s1"	CC(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@@H](CSCC(=O)O[C@@H](C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@@H](CSCC(=O)O[C@@H](C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](NC(=O)c1ccccc1)c1ccccc1)C(N)=O	CC(=O)NC(CCCCN)C(=O)NC(C)(C)C(=O)NC(CSCC(=O)OC(C(=O)OC1CC2(O)C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(O)C3(C)C(=O)C(OC(C)=O)C(=C1C)C2(C)C)C(NC(=O)c1ccccc1)c1ccccc1)C(=O)NC(CCCCN)C(=O)NC(C)(C)C(=O)NC(CSCC(=O)OC(C(=O)OC1CC2(O)C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(O)C3(C)C(=O)C(OC(C)=O)C(=C1C)C2(C)C)C(NC(=O)c1ccccc1)c1ccccc1)C(N)=O	DIFCIYVXHCNGHS-GDQZTGETSA-N	.							
PDC_01486	ECRGDS - Paclitaxel derivative conjugate	33	41	"InChI=1S/C86H101N17O28S/c1-41-55(33-86(125)69(130-79(123)47-21-14-9-15-22-47)67-84(6,56(107)32-57-85(67,40-126-57)131-43(3)106)68(114)65(127-42(2)105)62(41)83(86,4)5)128-80(124)66(63(44-17-10-7-11-18-44)101-73(117)45-19-12-8-13-20-45)129-61(113)39-132-38-54(77(121)98-50(23-16-30-91-81(88)89)74(118)94-36-58(108)96-52(31-60(111)112)76(120)99-53(37-104)70(87)115)100-75(119)51(28-29-59(109)110)97-72(116)46-24-26-48(27-25-46)92-34-49-35-93-71-64(95-49)78(122)103-82(90)102-71/h7-15,17-22,24-27,35,50-57,63,65-67,69,92,104,107,125H,16,23,28-34,36-40H2,1-6H3,(H2,87,115)(H,94,118)(H,96,108)(H,97,116)(H,98,121)(H,99,120)(H,100,119)(H,101,117)(H,109,110)(H,111,112)(H4,88,89,91)(H3,90,93,102,103,122)/t50-,51-,52-,53-,54-,55-,56-,57+,63-,65+,66+,67-,69-,84+,85-,86+/m0/s1"	CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](OC(=O)CSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)c4ccc(NCc5cnc6[nH]c(N)nc(=O)c6n5)cc4)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(N)=O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(OC(=O)CSCC(NC(=O)C(CCC(=O)O)NC(=O)c3ccc(NCc4cnc5[nH]c(N)nc(=O)c5n4)cc3)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CO)C(N)=O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	RKPFTKWKRYEPMH-WGEURFPVSA-N	.							
PDC_01487	CRGDR - Paclitaxel derivative conjugate	25	35	"InChI=1S/C72H93N13O23S/c1-36-47(31-72(102)59(107-65(100)42-23-15-10-16-24-42)57-70(7,48(89)30-49-71(57,35-103-49)108-39(4)88)58(94)55(104-38(3)87)53(36)69(72,5)6)105-66(101)56(54(40-19-11-8-12-20-40)85-61(96)41-21-13-9-14-22-41)106-52(93)34-109-33-46(81-37(2)86)64(99)84-44(26-18-28-79-68(76)77)62(97)80-32-50(90)82-45(29-51(91)92)63(98)83-43(60(73)95)25-17-27-78-67(74)75/h8-16,19-24,43-49,54-57,59,89,102H,17-18,25-35H2,1-7H3,(H2,73,95)(H,80,97)(H,81,86)(H,82,90)(H,83,98)(H,84,99)(H,85,96)(H,91,92)(H4,74,75,78)(H4,76,77,79)/t43-,44-,45-,46-,47-,48-,49+,54-,55+,56+,57-,59-,70+,71-,72+/m0/s1"	CC(=O)N[C@@H](CSCC(=O)O[C@@H](C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O	CC(=O)NC(CSCC(=O)OC(C(=O)OC1CC2(O)C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(O)C3(C)C(=O)C(OC(C)=O)C(=C1C)C2(C)C)C(NC(=O)c1ccccc1)c1ccccc1)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CCCNC(=N)N)C(N)=O	IHKZDGYKQZMFMV-OPTGLYRFSA-N	.							
PDC_01488	XRRRRRRRR - Phenytoin conjugate	22	58	"InChI=1S/C71H120N36O14/c72-53(111)42(19-7-30-90-62(73)74)99-55(113)44(21-9-32-92-64(77)78)101-57(115)46(23-11-34-94-66(81)82)103-59(117)48(25-13-36-96-68(85)86)105-60(118)49(26-14-37-97-69(87)88)104-58(116)47(24-12-35-95-67(83)84)102-56(114)45(22-10-33-93-65(79)80)100-54(112)43(20-8-31-91-63(75)76)98-51(109)29-38-89-50(108)27-28-52(110)121-39-107-61(119)71(106-70(107)120,40-15-3-1-4-16-40)41-17-5-2-6-18-41/h1-6,15-18,42-49H,7-14,19-39H2,(H2,72,111)(H,89,108)(H,98,109)(H,99,113)(H,100,112)(H,101,115)(H,102,114)(H,103,117)(H,104,116)(H,105,118)(H,106,120)(H4,73,74,90)(H4,75,76,91)(H4,77,78,92)(H4,79,80,93)(H4,81,82,94)(H4,83,84,95)(H4,85,86,96)(H4,87,88,97)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1"	N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCNC(=O)CCC(=O)OCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)C(N)=O	N=C(N)NCCCC(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)CCNC(=O)CCC(=O)OCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)C(N)=O	QMTSIZQHBHAQTB-XJIZABAQSA-N	.							
PDC_01489	"YIYGSFK - 4-amino-&alpha;-methyl-1H-pyrazolo[3,4-d]pyrimidine-1-acetic acid conjugate 1"	17	31	"InChI=1S/C59H71N13O13/c1-4-34(2)50(70-56(81)44(65-35(3)74)29-38-20-24-41(76)25-21-38)58(83)69-43(28-37-18-22-40(75)23-19-37)54(79)62-30-47(77)66-46(32-73)57(82)68-45(27-36-13-7-5-8-14-36)55(80)67-42(59(84)85)17-11-12-26-61-48(78)31-72-53-49(52(60)63-33-64-53)51(71-72)39-15-9-6-10-16-39/h5-10,13-16,18-25,33-34,42-46,50,73,75-76H,4,11-12,17,26-32H2,1-3H3,(H,61,78)(H,62,79)(H,65,74)(H,66,77)(H,67,80)(H,68,82)(H,69,83)(H,70,81)(H,84,85)(H2,60,63,64)/t34-,42-,43-,44-,45-,46-,50-/m0/s1"	CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)Cn1nc(-c2ccccc2)c2c(N)ncnc21)C(=O)O	CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(C)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCC(=O)NC(CO)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCCNC(=O)Cn1nc(-c2ccccc2)c2c(N)ncnc21)C(=O)O	MDKYVSWQWRMEOM-BAMXCWDLSA-N	.							
PDC_01490	"AIYKYY - 4-amino-&alpha;-methyl-1H-pyrazolo[3,4-d]pyrimidine-1-acetic acid conjugate"	17	29	"InChI=1S/C57H69N13O12/c1-4-32(2)48(68-55(79)45(63-33(3)71)29-60-46(75)30-70-51-47(50(59)61-31-62-51)49(69-70)37-10-6-5-7-11-37)56(80)66-43(27-35-15-21-39(73)22-16-35)53(77)64-41(12-8-9-25-58)52(76)65-42(26-34-13-19-38(72)20-14-34)54(78)67-44(57(81)82)28-36-17-23-40(74)24-18-36/h5-7,10-11,13-24,31-32,41-45,48,72-74H,4,8-9,12,25-30,58H2,1-3H3,(H,60,75)(H,63,71)(H,64,77)(H,65,76)(H,66,80)(H,67,78)(H,68,79)(H,81,82)(H2,59,61,62)/t32-,41-,42-,43-,44-,45-,48-/m0/s1"	CC[C@H](C)[C@H](NC(=O)[C@H](CNC(=O)Cn1nc(-c2ccccc2)c2c(N)ncnc21)NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O	CCC(C)C(NC(=O)C(CNC(=O)Cn1nc(-c2ccccc2)c2c(N)ncnc21)NC(C)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCCN)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)O	QMQZCRIIAYWEMC-FADHFOSJSA-N	.							
PDC_01491	"AEEEIYGEFEAKKKK - 4-amino-&alpha;-methyl-1H-pyrazolo[3,4-d]pyrimidine-1-acetic acid conjugate"	31	70	"InChI=1S/C94H136N24O28/c1-5-51(2)77(116-91(142)65(36-41-75(130)131)111-90(141)64(35-40-74(128)129)110-89(140)63(34-39-73(126)127)107-81(132)52(3)103-70(121)49-118-80-76(79(99)101-50-102-80)78(117-118)56-22-10-7-11-23-56)93(144)115-67(47-55-28-30-57(119)31-29-55)83(134)100-48-69(120)105-61(32-37-71(122)123)88(139)114-68(46-54-20-8-6-9-21-54)92(143)112-62(33-38-72(124)125)84(135)104-53(4)82(133)106-58(24-12-16-42-95)85(136)108-59(25-13-17-43-96)86(137)109-60(26-14-18-44-97)87(138)113-66(94(145)146)27-15-19-45-98/h6-11,20-23,28-31,50-53,58-68,77,119H,5,12-19,24-27,32-49,95-98H2,1-4H3,(H,100,134)(H,103,121)(H,104,135)(H,105,120)(H,106,133)(H,107,132)(H,108,136)(H,109,137)(H,110,140)(H,111,141)(H,112,143)(H,113,138)(H,114,139)(H,115,144)(H,116,142)(H,122,123)(H,124,125)(H,126,127)(H,128,129)(H,130,131)(H,145,146)(H2,99,101,102)/t51-,52-,53-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,77-/m0/s1"	CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)Cn1nc(-c2ccccc2)c2c(N)ncnc21)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O	CCC(C)C(NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)Cn1nc(-c2ccccc2)c2c(N)ncnc21)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)O	CEACXPIDVLBNOU-QUGCLIEPSA-N	.							
PDC_01492	"IYGEFKKK - 4-amino-&alpha;-methyl-1H-pyrazolo[3,4-d]pyrimidine-1-acetic acid conjugate"	19	40	"InChI=1S/C62H87N17O12/c1-3-37(2)52(77-49(82)35-79-56-51(54(66)69-36-70-56)53(78-79)40-18-8-5-9-19-40)62(91)76-46(33-39-23-25-41(80)26-24-39)57(86)68-34-48(81)71-45(27-28-50(83)84)60(89)75-47(32-38-16-6-4-7-17-38)61(90)74-44(22-12-15-31-65)59(88)73-43(21-11-14-30-64)58(87)72-42(55(67)85)20-10-13-29-63/h4-9,16-19,23-26,36-37,42-47,52,80H,3,10-15,20-22,27-35,63-65H2,1-2H3,(H2,67,85)(H,68,86)(H,71,81)(H,72,87)(H,73,88)(H,74,90)(H,75,89)(H,76,91)(H,77,82)(H,83,84)(H2,66,69,70)/t37-,42-,43-,44-,45-,46-,47-,52-/m0/s1"	CC[C@H](C)[C@H](NC(=O)Cn1nc(-c2ccccc2)c2c(N)ncnc21)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O	CCC(C)C(NC(=O)Cn1nc(-c2ccccc2)c2c(N)ncnc21)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(N)=O	ZHLZEYAYBJFZFS-DCOPPLMJSA-N	.							
PDC_01493	"EIYGEFKK - 4-amino-&alpha;-methyl-1H-pyrazolo[3,4-d]pyrimidine-1-acetic acid conjugate"	19	39	"InChI=1S/C61H81N15O15/c1-3-35(2)51(74-58(87)42(25-27-49(82)83)69-47(79)33-76-54-50(53(64)66-34-67-54)52(75-76)38-16-8-5-9-17-38)60(89)73-44(31-37-20-22-39(77)23-21-37)55(84)65-32-46(78)68-41(24-26-48(80)81)57(86)72-45(30-36-14-6-4-7-15-36)59(88)70-40(18-10-12-28-62)56(85)71-43(61(90)91)19-11-13-29-63/h4-9,14-17,20-23,34-35,40-45,51,77H,3,10-13,18-19,24-33,62-63H2,1-2H3,(H,65,84)(H,68,78)(H,69,79)(H,70,88)(H,71,85)(H,72,86)(H,73,89)(H,74,87)(H,80,81)(H,82,83)(H,90,91)(H2,64,66,67)/t35-,40-,41-,42-,43-,44-,45-,51-/m0/s1"	CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)Cn1nc(-c2ccccc2)c2c(N)ncnc21)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O	CCC(C)C(NC(=O)C(CCC(=O)O)NC(=O)Cn1nc(-c2ccccc2)c2c(N)ncnc21)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)O	GCOIHEFRFUCMOX-PDLBZBRCSA-N	.							
PDC_01494	"EEIYGEFF - 4-amino-&alpha;-methyl-1H-pyrazolo[3,4-d]pyrimidine-1-acetic acid conjugate"	18	36	"InChI=1S/C63H73N13O17/c1-3-35(2)53(74-60(89)43(25-28-51(84)85)70-58(87)42(24-27-50(82)83)69-48(79)33-76-56-52(55(64)66-34-67-56)54(75-76)39-17-11-6-12-18-39)62(91)72-44(30-38-19-21-40(77)22-20-38)57(86)65-32-47(78)68-41(23-26-49(80)81)59(88)71-45(29-36-13-7-4-8-14-36)61(90)73-46(63(92)93)31-37-15-9-5-10-16-37/h4-22,34-35,41-46,53,77H,3,23-33H2,1-2H3,(H,65,86)(H,68,78)(H,69,79)(H,70,87)(H,71,88)(H,72,91)(H,73,90)(H,74,89)(H,80,81)(H,82,83)(H,84,85)(H,92,93)(H2,64,66,67)/t35-,41-,42-,43-,44-,45-,46-,53-/m0/s1"	CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)Cn1nc(-c2ccccc2)c2c(N)ncnc21)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	CCC(C)C(NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)Cn1nc(-c2ccccc2)c2c(N)ncnc21)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)O	NIOOKOZDQBFIDW-GUCVFSKISA-N	.							
PDC_01495	"YIYGSFK - 4-amino-&alpha;-methyl-1H-pyrazolo[3,4-d]pyrimidine-1-acetic acid conjugate2"	17	30	"InChI=1S/C57H69N13O12/c1-3-33(2)48(68-54(78)42(28-36-19-23-39(73)24-20-36)63-46(75)30-70-51-47(50(59)61-32-62-51)49(69-70)37-14-8-5-9-15-37)56(80)67-41(27-35-17-21-38(72)22-18-35)52(76)60-29-45(74)64-44(31-71)55(79)66-43(26-34-12-6-4-7-13-34)53(77)65-40(57(81)82)16-10-11-25-58/h4-9,12-15,17-24,32-33,40-44,48,71-73H,3,10-11,16,25-31,58H2,1-2H3,(H,60,76)(H,63,75)(H,64,74)(H,65,77)(H,66,79)(H,67,80)(H,68,78)(H,81,82)(H2,59,61,62)/t33-,40-,41-,42-,43-,44-,48-/m0/s1"	CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Cn1nc(-c2ccccc2)c2c(N)ncnc21)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)O	CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)Cn1nc(-c2ccccc2)c2c(N)ncnc21)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCC(=O)NC(CO)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCCN)C(=O)O	XSNKLJWPMVACKL-GJJZWHBLSA-N	.							
PDC_01496	"CIYKYY - 4-amino-&alpha;-methyl-1H-pyrazolo[3,4-d]pyrimidine-1-acetic acid conjugate 1"	17	27	"InChI=1S/C50H64N12O11S/c1-4-27(2)41(61-48(70)40(25-74)60-44(66)28(3)62-43-35(24-55-62)42(52)53-26-54-43)49(71)58-38(22-30-10-16-33(64)17-11-30)46(68)56-36(7-5-6-20-51)45(67)57-37(21-29-8-14-32(63)15-9-29)47(69)59-39(50(72)73)23-31-12-18-34(65)19-13-31/h8-19,24,26-28,36-41,63-65,74H,4-7,20-23,25,51H2,1-3H3,(H,56,68)(H,57,67)(H,58,71)(H,59,69)(H,60,66)(H,61,70)(H,72,73)(H2,52,53,54)/t27-,28?,36-,37-,38-,39-,40-,41-/m0/s1"	CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)C(C)n1ncc2c(N)ncnc21)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O	CCC(C)C(NC(=O)C(CS)NC(=O)C(C)n1ncc2c(N)ncnc21)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCCN)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)O	GNDFJACNWPNRJI-WQKDZVDWSA-N	.							
PDC_01497	"CIYKYY - 4-amino-&alpha;-methyl-1H-pyrazolo[3,4-d]pyrimidine-1-acetic acid conjugate 2"	17	29	"InChI=1S/C61H70N12O11S/c1-3-35(2)51(71-59(81)49(33-85)70-55(77)41-20-12-39(13-21-41)32-73-54-50(53(63)64-34-65-54)52(72-73)40-9-5-4-6-10-40)60(82)68-47(30-37-16-24-43(75)25-17-37)57(79)66-45(11-7-8-28-62)56(78)67-46(29-36-14-22-42(74)23-15-36)58(80)69-48(61(83)84)31-38-18-26-44(76)27-19-38/h4-6,9-10,12-27,34-35,45-49,51,74-76,85H,3,7-8,11,28-33,62H2,1-2H3,(H,66,79)(H,67,78)(H,68,82)(H,69,80)(H,70,77)(H,71,81)(H,83,84)(H2,63,64,65)/t35-,45-,46-,47-,48-,49-,51-/m0/s1"	CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)c1ccc(Cn2nc(-c3ccccc3)c3c(N)ncnc32)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O	CCC(C)C(NC(=O)C(CS)NC(=O)c1ccc(Cn2nc(-c3ccccc3)c3c(N)ncnc32)cc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCCN)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)O	RPIBHGPPCWDHHF-OUKCGTTFSA-N	.							
PDC_01498	"CYKYY - 4-amino-&alpha;-methyl-1H-pyrazolo[3,4-d]pyrimidine-1-acetic acid conjugate"	16	26	"InChI=1S/C51H59N11O10S/c52-23-5-4-9-37(47(67)58-39(26-31-13-19-35(64)20-14-31)49(69)60-40(51(71)72)27-32-15-21-36(65)22-16-32)57-48(68)38(25-30-11-17-34(63)18-12-30)59-50(70)41(28-73)56-42(66)10-6-24-62-46-43(45(53)54-29-55-46)44(61-62)33-7-2-1-3-8-33/h1-3,7-8,11-22,29,37-41,63-65,73H,4-6,9-10,23-28,52H2,(H,56,66)(H,57,68)(H,58,67)(H,59,70)(H,60,69)(H,71,72)(H2,53,54,55)/t37-,38-,39-,40-,41-/m0/s1"	NCCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)CCCn1nc(-c2ccccc2)c2c(N)ncnc21)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O	NCCCCC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CS)NC(=O)CCCn1nc(-c2ccccc2)c2c(N)ncnc21)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)O	POVOBVYEPRXZHY-LSLOANPCSA-N	.							
PDC_01499	"IYKYY - 4-amino-&alpha;-methyl-1H-pyrazolo[3,4-d]pyrimidine-1-acetic acid conjugate"	15	27	"InChI=1S/C54H65N11O10/c1-3-32(2)46(63-44(69)13-9-27-65-49-45(48(56)57-31-58-49)47(64-65)36-10-5-4-6-11-36)53(73)61-42(29-34-16-22-38(67)23-17-34)51(71)59-40(12-7-8-26-55)50(70)60-41(28-33-14-20-37(66)21-15-33)52(72)62-43(54(74)75)30-35-18-24-39(68)25-19-35/h4-6,10-11,14-25,31-32,40-43,46,66-68H,3,7-9,12-13,26-30,55H2,1-2H3,(H,59,71)(H,60,70)(H,61,73)(H,62,72)(H,63,69)(H,74,75)(H2,56,57,58)/t32-,40-,41-,42-,43-,46-/m0/s1"	CC[C@H](C)[C@H](NC(=O)CCCn1nc(-c2ccccc2)c2c(N)ncnc21)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O	CCC(C)C(NC(=O)CCCn1nc(-c2ccccc2)c2c(N)ncnc21)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCCN)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)O	VPNLXILZPFXRGG-DIAOGPSZSA-N	.							
PDC_01500	"CIYKYY - 4-amino-&alpha;-methyl-1H-pyrazolo[3,4-d]pyrimidine-1-acetic acid conjugate 3"	17	29	"InChI=1S/C57H70N12O11S/c1-4-32(2)48(67-55(77)45(30-81)62-46(73)26-33(3)69-51-47(50(59)60-31-61-51)49(68-69)37-10-6-5-7-11-37)56(78)65-43(28-35-15-21-39(71)22-16-35)53(75)63-41(12-8-9-25-58)52(74)64-42(27-34-13-19-38(70)20-14-34)54(76)66-44(57(79)80)29-36-17-23-40(72)24-18-36/h5-7,10-11,13-24,31-33,41-45,48,70-72,81H,4,8-9,12,25-30,58H2,1-3H3,(H,62,73)(H,63,75)(H,64,74)(H,65,78)(H,66,76)(H,67,77)(H,79,80)(H2,59,60,61)/t32-,33?,41-,42-,43-,44-,45-,48-/m0/s1"	CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)CC(C)n1nc(-c2ccccc2)c2c(N)ncnc21)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O	CCC(C)C(NC(=O)C(CS)NC(=O)CC(C)n1nc(-c2ccccc2)c2c(N)ncnc21)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCCN)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)O	MHPZATCQAOAGSV-GZUZNSQZSA-N	.							
PDC_01501	"CIYKYY - 4-amino-&alpha;-methyl-1H-pyrazolo[3,4-d]pyrimidine-1-acetic acid conjugate 4"	17	30	"InChI=1S/C57H70N12O11S/c1-3-33(2)48(67-55(77)45(31-81)62-46(73)13-9-27-69-51-47(50(59)60-32-61-51)49(68-69)37-10-5-4-6-11-37)56(78)65-43(29-35-16-22-39(71)23-17-35)53(75)63-41(12-7-8-26-58)52(74)64-42(28-34-14-20-38(70)21-15-34)54(76)66-44(57(79)80)30-36-18-24-40(72)25-19-36/h4-6,10-11,14-25,32-33,41-45,48,70-72,81H,3,7-9,12-13,26-31,58H2,1-2H3,(H,62,73)(H,63,75)(H,64,74)(H,65,78)(H,66,76)(H,67,77)(H,79,80)(H2,59,60,61)/t33-,41-,42-,43-,44-,45-,48-/m0/s1"	CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)CCCn1nc(-c2ccccc2)c2c(N)ncnc21)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O	CCC(C)C(NC(=O)C(CS)NC(=O)CCCn1nc(-c2ccccc2)c2c(N)ncnc21)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCCN)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)O	QNIQMWVKJUSIAU-CNSCEAOISA-N	.							
PDC_01502	Tetrapeptide 38 - Tert-Butyldiphenylsilyl chloride conjugate 1	11	17	"InChI=1S/C39H50N6O10Si/c1-24-35(50)28(22-46)25(19-40-24)20-41-33(48)18-30(36(51)42-21-34(49)54-5)44-38(53)31(45-37(52)29-16-17-32(47)43-29)23-55-56(39(2,3)4,26-12-8-6-9-13-26)27-14-10-7-11-15-27/h6-15,19,29-31,46,50H,16-18,20-23H2,1-5H3,(H,41,48)(H,42,51)(H,43,47)(H,44,53)(H,45,52)/t29-,30-,31-/m0/s1"	COC(=O)CNC(=O)[C@H](CC(=O)NCc1cnc(C)c(O)c1CO)NC(=O)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)[C@@H]1CCC(=O)N1	COC(=O)CNC(=O)C(CC(=O)NCc1cnc(C)c(O)c1CO)NC(=O)C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)C1CCC(=O)N1	IMVIYHSEAOJCDX-CHQNGUEUSA-N	.							
PDC_01503	Tripeptide 79 - Tert-Butyldiphenylsilyl chloride conjugate	11	17	"InChI=1S/C38H49N5O10Si/c1-24-34(47)28(20-44)25(18-39-24)21-52-23-33(46)40-19-30(37(50)51-5)42-36(49)31(43-35(48)29-16-17-32(45)41-29)22-53-54(38(2,3)4,26-12-8-6-9-13-26)27-14-10-7-11-15-27/h6-15,18,29-31,44,47H,16-17,19-23H2,1-5H3,(H,40,46)(H,41,45)(H,42,49)(H,43,48)/t29-,30-,31-/m0/s1"	COC(=O)[C@H](CNC(=O)COCc1cnc(C)c(O)c1CO)NC(=O)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)[C@@H]1CCC(=O)N1	COC(=O)C(CNC(=O)COCc1cnc(C)c(O)c1CO)NC(=O)C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)C1CCC(=O)N1	WYFUMSHZVVBXHU-CHQNGUEUSA-N	.							
PDC_01504	Tetrapeptide 38 - Tert-Butyldiphenylsilyl chloride conjugate 2	17	19	"InChI=1S/C32H43N8O17P/c1-14-10-40(32(52)39-28(14)48)25-6-21(42)22(57-25)13-56-58(53,54)55-12-20(38-30(50)18-3-4-23(43)36-18)31(51)37-19(29(49)35-9-26(45)46)5-24(44)34-8-16-7-33-15(2)27(47)17(16)11-41/h7,10,18-22,25,41-42,47H,3-6,8-9,11-13H2,1-2H3,(H,34,44)(H,35,49)(H,36,43)(H,37,51)(H,38,50)(H,45,46)(H,53,54)(H,39,48,52)/t18-,19-,20-,21-,22+,25+/m0/s1"	Cc1ncc(CNC(=O)C[C@H](NC(=O)[C@H](COP(=O)(O)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2O)NC(=O)[C@@H]2CCC(=O)N2)C(=O)NCC(=O)O)c(CO)c1O	Cc1ncc(CNC(=O)CC(NC(=O)C(COP(=O)(O)OCC2OC(n3cc(C)c(=O)[nH]c3=O)CC2O)NC(=O)C2CCC(=O)N2)C(=O)NCC(=O)O)c(CO)c1O	CUJRQGFYGBOFEC-ZNBTZLMLSA-N	.							
PDC_01505	Tetrapeptide 38 - 3-O-Acetylthymidine conjugate	23	25	"InChI=1S/C42H54N9O20P/c1-21-17-51(42(62)50-38(21)58)35-13-31(69-24(4)53)32(71-35)20-68-72(63,66-11-7-10-43)67-19-30(49-40(60)28-8-9-33(55)47-28)41(61)48-29(39(59)46-16-36(57)64-6)12-34(56)45-15-26-14-44-22(2)37(70-25(5)54)27(26)18-65-23(3)52/h14,17,28-32,35H,7-9,11-13,15-16,18-20H2,1-6H3,(H,45,56)(H,46,59)(H,47,55)(H,48,61)(H,49,60)(H,50,58,62)/t28-,29-,30-,31-,32+,35+,72?/m0/s1"	COC(=O)CNC(=O)[C@H](CC(=O)NCc1cnc(C)c(OC(C)=O)c1COC(C)=O)NC(=O)[C@H](COP(=O)(OCCC#N)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1OC(C)=O)NC(=O)[C@@H]1CCC(=O)N1	COC(=O)CNC(=O)C(CC(=O)NCc1cnc(C)c(OC(C)=O)c1COC(C)=O)NC(=O)C(COP(=O)(OCCC#N)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1OC(C)=O)NC(=O)C1CCC(=O)N1	AIRUWSPOMIBLSC-GAIZFPJUSA-N	.							
PDC_01506	Tetrapeptide 38 - Tert-Butyldiphenylsilyl chloride conjugate 3	11	16	"InChI=1S/C42H54N6O10Si/c1-26-37-30(24-56-42(5,6)58-37)27(21-43-26)22-44-35(50)20-32(38(52)45-23-36(51)55-7)47-40(54)33(48-39(53)31-18-19-34(49)46-31)25-57-59(41(2,3)4,28-14-10-8-11-15-28)29-16-12-9-13-17-29/h8-17,21,31-33H,18-20,22-25H2,1-7H3,(H,44,50)(H,45,52)(H,46,49)(H,47,54)(H,48,53)/t31-,32-,33-/m0/s1"	COC(=O)CNC(=O)[C@H](CC(=O)NCc1cnc(C)c2c1COC(C)(C)O2)NC(=O)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)[C@@H]1CCC(=O)N1	COC(=O)CNC(=O)C(CC(=O)NCc1cnc(C)c2c1COC(C)(C)O2)NC(=O)C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)C1CCC(=O)N1	MRFJKGZMMVRPMP-ZDCRTTOTSA-N	.							
PDC_01507	"Tripeptide 80 - 2,2,8-Trimethyl-4H-1,3-dioxino[4,5-c]pyridine-5-methanol conjugate"	9	8	"InChI=1S/C23H34N4O8/c1-13-19-15(12-33-23(5,6)34-19)14(9-24-13)10-25-17(28)8-16(20(30)26-11-18(29)32-7)27-21(31)35-22(2,3)4/h9,16H,8,10-12H2,1-7H3,(H,25,28)(H,26,30)(H,27,31)/t16-/m0/s1"	COC(=O)CNC(=O)[C@H](CC(=O)NCc1cnc(C)c2c1COC(C)(C)O2)NC(=O)OC(C)(C)C	COC(=O)CNC(=O)C(CC(=O)NCc1cnc(C)c2c1COC(C)(C)O2)NC(=O)OC(C)(C)C	DUSQNGRSCMXAQT-INIZCTEOSA-N	.							
PDC_01508	Tripeptide 79 - 3-O-Acetylthymidine conjugate	17	19	"InChI=1S/C31H42N7O17P/c1-14-8-38(31(49)37-27(14)44)25-5-21(40)22(55-25)12-54-56(50,51)53-11-20(36-28(45)18-3-4-23(41)34-18)29(46)35-19(30(47)48)7-33-24(42)13-52-10-16-6-32-15(2)26(43)17(16)9-39/h6,8,18-22,25,39-40,43H,3-5,7,9-13H2,1-2H3,(H,33,42)(H,34,41)(H,35,46)(H,36,45)(H,47,48)(H,50,51)(H,37,44,49)/t18-,19-,20-,21-,22+,25+/m0/s1"	Cc1ncc(COCC(=O)NC[C@H](NC(=O)[C@H](COP(=O)(O)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2O)NC(=O)[C@@H]2CCC(=O)N2)C(=O)O)c(CO)c1O	Cc1ncc(COCC(=O)NCC(NC(=O)C(COP(=O)(O)OCC2OC(n3cc(C)c(=O)[nH]c3=O)CC2O)NC(=O)C2CCC(=O)N2)C(=O)O)c(CO)c1O	HUJGGESDIBTSRP-ZNBTZLMLSA-N	.							
PDC_01509	Tetrapeptide 27 - Estradiol-3-carboxymethyl ether conjugate 1	14	26	"InChI=1S/C56H68N8O13/c1-56-26-25-42-41-22-20-40(28-39(41)19-21-43(42)44(56)23-24-48(56)65)75-35-50(67)60-45(18-11-27-58-55(57)63-64(72)73)52(69)59-30-49(66)61-46(29-51(68)76-32-37-14-7-3-8-15-37)53(70)62-47(34-74-31-36-12-5-2-6-13-36)54(71)77-33-38-16-9-4-10-17-38/h2-10,12-17,20,22,28,42-48,65H,11,18-19,21,23-27,29-35H2,1H3,(H,59,69)(H,60,67)(H,61,66)(H,62,70)(H3,57,58,63)/t42-,43-,44+,45+,46+,47+,48+,56+/m1/s1"	C[C@]12CC[C@@H]3c4ccc(OCC(=O)N[C@@H](CCCNC(=N)N[N+](=O)[O-])C(=O)NCC(=O)N[C@@H](CC(=O)OCc5ccccc5)C(=O)N[C@@H](COCc5ccccc5)C(=O)OCc5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O	CC12CCC3c4ccc(OCC(=O)NC(CCCNC(=N)N[N+](=O)[O-])C(=O)NCC(=O)NC(CC(=O)OCc5ccccc5)C(=O)NC(COCc5ccccc5)C(=O)OCc5ccccc5)cc4CCC3C1CCC2O	ZQBUBPKKRQTKEM-FRCGWLJJSA-N	.							
PDC_01510	Tetrapeptide 28 - Estradiol-3-carboxymethyl ether conjugate 1	9	19	"InChI=1S/C41H53N7O10/c1-41-16-15-27-26-12-10-25(19-24(26)9-11-28(27)29(41)13-14-33(41)49)58-22-35(51)46-30(8-5-17-44-40(42)43)37(54)45-21-34(50)47-31(20-36(52)53)38(55)48-32(39(56)57)18-23-6-3-2-4-7-23/h2-4,6-7,10,12,19,27-32H,5,8-9,11,13-18,20-22H2,1H3,(H,45,54)(H,46,51)(H,47,50)(H,48,55)(H,52,53)(H,56,57)(H4,42,43,44)/t27-,28-,29+,30+,31+,32+,41+/m1/s1"	C[C@]12CC[C@@H]3c4ccc(OCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc5ccccc5)C(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O	CC12CCC3c4ccc(OCC(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(Cc5ccccc5)C(=O)O)cc4CCC3C1CCC2=O	QKPHDZJMJRICNH-YISOEFBASA-N	.							
PDC_01511	Tetrapeptide 26 - Estradiol-3-carboxymethyl ether conjugate 1	9	18	"InChI=1S/C37H53N7O10/c1-19(2)32(35(52)53)44-34(51)27(16-31(48)49)43-29(46)17-41-33(50)26(5-4-14-40-36(38)39)42-30(47)18-54-21-7-9-22-20(15-21)6-8-24-23(22)12-13-37(3)25(24)10-11-28(37)45/h7,9,15,19,23-27,32H,4-6,8,10-14,16-18H2,1-3H3,(H,41,50)(H,42,47)(H,43,46)(H,44,51)(H,48,49)(H,52,53)(H4,38,39,40)/t23-,24-,25+,26+,27+,32+,37+/m1/s1"	CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12)C(=O)O	CC(C)C(NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)COc1ccc2c(c1)CCC1C2CCC2(C)C(=O)CCC12)C(=O)O	ICYZSZLQLCHSNW-GZRYCKQCSA-N	.							
PDC_01512	Tetrapeptide 27 - Estradiol-3-carboxymethyl ether conjugate 2	10	18	"InChI=1S/C35H49N7O11/c1-35-11-10-21-20-7-5-19(13-18(20)4-6-22(21)23(35)8-9-27(35)44)53-17-29(46)40-24(3-2-12-38-34(36)37)31(49)39-15-28(45)41-25(14-30(47)48)32(50)42-26(16-43)33(51)52/h5,7,13,21-26,43H,2-4,6,8-12,14-17H2,1H3,(H,39,49)(H,40,46)(H,41,45)(H,42,50)(H,47,48)(H,51,52)(H4,36,37,38)/t21-,22-,23+,24+,25+,26+,35+/m1/s1"	C[C@]12CC[C@@H]3c4ccc(OCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O	CC12CCC3c4ccc(OCC(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)O)cc4CCC3C1CCC2=O	WEXFBNZRZCBVJV-PPXSHVBFSA-N	.							
PDC_01513	Tetrapeptide 27 - Estradiol-3-carboxymethyl ether conjugate 3	14	26	"InChI=1S/C56H66N8O13/c1-56-26-25-42-41-22-20-40(28-39(41)19-21-43(42)44(56)23-24-48(56)65)75-35-50(67)60-45(18-11-27-58-55(57)63-64(72)73)52(69)59-30-49(66)61-46(29-51(68)76-32-37-14-7-3-8-15-37)53(70)62-47(34-74-31-36-12-5-2-6-13-36)54(71)77-33-38-16-9-4-10-17-38/h2-10,12-17,20,22,28,42-47H,11,18-19,21,23-27,29-35H2,1H3,(H,59,69)(H,60,67)(H,61,66)(H,62,70)(H3,57,58,63)/t42-,43-,44+,45+,46+,47+,56+/m1/s1"	C[C@]12CC[C@@H]3c4ccc(OCC(=O)N[C@@H](CCCNC(=N)N[N+](=O)[O-])C(=O)NCC(=O)N[C@@H](CC(=O)OCc5ccccc5)C(=O)N[C@@H](COCc5ccccc5)C(=O)OCc5ccccc5)cc4CC[C@H]3[C@@H]1CCC2=O	CC12CCC3c4ccc(OCC(=O)NC(CCCNC(=N)N[N+](=O)[O-])C(=O)NCC(=O)NC(CC(=O)OCc5ccccc5)C(=O)NC(COCc5ccccc5)C(=O)OCc5ccccc5)cc4CCC3C1CCC2=O	JRVLHGFXXLXZAV-QXKALADPSA-N	.							
PDC_01514	Tetrapeptide 26 - Estradiol-3-carboxymethyl ether conjugate 2	9	18	"InChI=1S/C37H55N7O10/c1-19(2)32(35(52)53)44-34(51)27(16-31(48)49)43-29(46)17-41-33(50)26(5-4-14-40-36(38)39)42-30(47)18-54-21-7-9-22-20(15-21)6-8-24-23(22)12-13-37(3)25(24)10-11-28(37)45/h7,9,15,19,23-28,32,45H,4-6,8,10-14,16-18H2,1-3H3,(H,41,50)(H,42,47)(H,43,46)(H,44,51)(H,48,49)(H,52,53)(H4,38,39,40)/t23-,24-,25+,26+,27+,28+,32+,37+/m1/s1"	CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12)C(=O)O	CC(C)C(NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)COc1ccc2c(c1)CCC1C2CCC2(C)C(O)CCC12)C(=O)O	ZISOEAVJEHQZSO-VUIWUGGPSA-N	.							
PDC_01515	Tetrapeptide 27 - Estradiol-3-carboxymethyl ether conjugate 4	10	18	"InChI=1S/C35H51N7O11/c1-35-11-10-21-20-7-5-19(13-18(20)4-6-22(21)23(35)8-9-27(35)44)53-17-29(46)40-24(3-2-12-38-34(36)37)31(49)39-15-28(45)41-25(14-30(47)48)32(50)42-26(16-43)33(51)52/h5,7,13,21-27,43-44H,2-4,6,8-12,14-17H2,1H3,(H,39,49)(H,40,46)(H,41,45)(H,42,50)(H,47,48)(H,51,52)(H4,36,37,38)/t21-,22-,23+,24+,25+,26+,27+,35+/m1/s1"	C[C@]12CC[C@@H]3c4ccc(OCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O	CC12CCC3c4ccc(OCC(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)O)cc4CCC3C1CCC2O	ZUCVCNGDXQNYFU-MPSIUXPZSA-N	.							
PDC_01516	Tetrapeptide 28 - Estradiol-3-carboxymethyl ether conjugate 2	10	20	"InChI=1S/C43H57N7O11/c1-43-18-17-28-27-12-10-26(51)21-25(27)9-11-29(28)30(43)13-14-34(43)61-38(56)16-15-35(52)48-31(8-5-19-46-42(44)45)39(57)47-23-36(53)49-32(22-37(54)55)40(58)50-33(41(59)60)20-24-6-3-2-4-7-24/h2-4,6-7,10,12,21,28-34,51H,5,8-9,11,13-20,22-23H2,1H3,(H,47,57)(H,48,52)(H,49,53)(H,50,58)(H,54,55)(H,59,60)(H4,44,45,46)/t28-,29-,30+,31+,32+,33+,34+,43+/m1/s1"	C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	CC12CCC3c4ccc(O)cc4CCC3C1CCC2OC(=O)CCC(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)O	CSHMIFTUBGDSKP-UZSAAMCRSA-N	.							
PDC_01517	Tetrapeptide 26 - Estradiol hemisuccinate conjugate	10	19	"InChI=1S/C39H57N7O11/c1-20(2)34(37(55)56)46-36(54)28(18-32(50)51)45-31(49)19-43-35(53)27(5-4-16-42-38(40)41)44-30(48)12-13-33(52)57-29-11-10-26-25-8-6-21-17-22(47)7-9-23(21)24(25)14-15-39(26,29)3/h7,9,17,20,24-29,34,47H,4-6,8,10-16,18-19H2,1-3H3,(H,43,53)(H,44,48)(H,45,49)(H,46,54)(H,50,51)(H,55,56)(H4,40,41,42)/t24-,25-,26+,27+,28+,29+,34+,39+/m1/s1"	CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C)C(=O)O	CC(C)C(NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)CCC(=O)OC1CCC2C3CCc4cc(O)ccc4C3CCC12C)C(=O)O	UQTMAMJMLIXIBE-QXFJFRFOSA-N	.							
PDC_01518	Tetrapeptide 27 - Estradiol hemisuccinate conjugate	11	19	"InChI=1S/C37H53N7O12/c1-37-13-12-22-21-7-5-20(46)15-19(21)4-6-23(22)24(37)8-9-28(37)56-32(51)11-10-29(47)42-25(3-2-14-40-36(38)39)33(52)41-17-30(48)43-26(16-31(49)50)34(53)44-27(18-45)35(54)55/h5,7,15,22-28,45-46H,2-4,6,8-14,16-18H2,1H3,(H,41,52)(H,42,47)(H,43,48)(H,44,53)(H,49,50)(H,54,55)(H4,38,39,40)/t22-,23-,24+,25+,26+,27+,28+,37+/m1/s1"	C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O	CC12CCC3c4ccc(O)cc4CCC3C1CCC2OC(=O)CCC(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)O	CYWGVFGZHRHZFS-UKUCXORNSA-N	.							
PDC_01519	"FDFLPENE - O-(N-acetyl-4,7,8,9-tetra-O-acetyl-1-methyl-&alpha;-neuraminosyl)-(23)-O-2,4-di-O-acetyl-6-O-(phenylmethyl)-&beta;-D-galactopyranosyl-(14)-O-[6-deoxy-2,3,4-tris-O-(phenylmethyl)-&alpha;-L-galactopyranosyl-(13)]-2-(acetylamino)-2-deoxy-6-O-(phenylmethyl)-&beta;-D-glucopyranosylamine conjugate"	41	62	"InChI=1S/C90H137N13O45S/c1-42(2)32-55(101-81(128)52(34-46-10-7-6-8-11-46)99-83(130)54(36-65(117)118)98-79(126)49(91)33-47-13-15-48(16-14-47)41-149(135,136)137)86(132)103-23-9-12-56(103)84(131)97-51(18-20-64(115)116)80(127)100-53(82(129)96-50(78(92)125)17-19-63(113)114)35-62(112)93-22-25-139-27-29-141-31-30-140-28-26-138-24-21-61(111)102-85-67(95-45(5)108)76(146-87-72(123)71(122)68(119)43(3)142-87)74(60(40-106)143-85)145-88-73(124)77(70(121)59(39-105)144-88)148-90(89(133)134)37-57(109)66(94-44(4)107)75(147-90)69(120)58(110)38-104/h6-8,10-11,13-16,42-43,49-60,66-77,85,87-88,104-106,109-110,119-124H,9,12,17-41,91H2,1-5H3,(H2,92,125)(H,93,112)(H,94,107)(H,95,108)(H,96,129)(H,97,131)(H,98,126)(H,99,130)(H,100,127)(H,101,128)(H,102,111)(H,113,114)(H,115,116)(H,117,118)(H,133,134)(H,135,136,137)/t43-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58+,59+,60+,66+,67+,68+,69+,70-,71+,72-,73+,74+,75+,76+,77-,85+,87-,88-,90-/m0/s1"	CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@@H](CO)O[C@H]1NC(=O)CCOCCOCCOCCOCCNC(=O)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1ccc(CS(=O)(=O)O)cc1)C(=O)N[C@@H](CCC(=O)O)C(N)=O	CC(=O)NC1C(O)CC(OC2C(O)C(CO)OC(OC3C(CO)OC(NC(=O)CCOCCOCCOCCOCCNC(=O)CC(NC(=O)C(CCC(=O)O)NC(=O)C4CCCN4C(=O)C(CC(C)C)NC(=O)C(Cc4ccccc4)NC(=O)C(CC(=O)O)NC(=O)C(N)Cc4ccc(CS(=O)(=O)O)cc4)C(=O)NC(CCC(=O)O)C(N)=O)C(NC(C)=O)C3OC3OC(C)C(O)C(O)C3O)C2O)(C(=O)O)OC1C(O)C(O)CO	NVFOKWBEOFKNMF-VHAFNYHFSA-N	.							
PDC_01520	"FDFLPENE - O-(N-acetyl-4,7,8,9-tetra-O-acetyl-1-methyl-&alpha;-neuraminosyl)-(23)-O-2,4-di-O-acetyl-6-O-(phenylmethyl)-&beta;-D-galactopyranosyl-(14)-O-[6-deoxy-2,3,4-tris-O-(phenylmethyl)-&alpha;-L-galactopyranosyl-(13)]-2-(acetylamino)-2-deoxy-6-O-(phenylmethyl)-&beta;-D-glucopyranosylamine conjugate"	52	92	"InChI=1S/C174H209N13O53S/c1-106(2)87-138(184-163(203)134(88-116-45-22-13-23-46-116)181-166(206)137(91-148(200)224-97-122-55-32-18-33-56-122)183-164(204)135(89-117-68-70-126(71-69-117)105-241(211,212)213)185-173(210)228-101-131-129-65-42-40-63-127(129)128-64-41-43-66-130(128)131)169(208)187-78-44-67-139(187)167(207)180-133(73-75-147(199)223-96-121-53-30-17-31-54-121)162(202)182-136(165(205)179-132(161(175)201)72-74-146(198)222-95-120-51-28-16-29-52-120)90-145(197)176-77-80-216-82-84-218-86-85-217-83-81-215-79-76-144(196)186-168-150(178-109(5)189)155(238-170-159(227-100-125-61-38-21-39-62-125)157(226-99-124-59-36-20-37-60-124)151(107(3)229-170)225-98-123-57-34-19-35-58-123)152(141(235-168)102-219-93-118-47-24-14-25-48-118)237-171-160(234-115(11)195)158(154(233-114(10)194)142(236-171)103-220-94-119-49-26-15-27-50-119)240-174(172(209)214-12)92-140(230-111(7)191)149(177-108(4)188)156(239-174)153(232-113(9)193)143(231-112(8)192)104-221-110(6)190/h13-43,45-66,68-71,106-107,131-143,149-160,168,170-171H,44,67,72-105H2,1-12H3,(H2,175,201)(H,176,197)(H,177,188)(H,178,189)(H,179,205)(H,180,207)(H,181,206)(H,182,202)(H,183,204)(H,184,203)(H,185,210)(H,186,196)(H,211,212,213)/t107-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141+,142+,143+,149+,150+,151+,152+,153+,154-,155+,156+,157+,158-,159-,160+,168+,170-,171-,174-/m0/s1"	COC(=O)[C@@]1(O[C@H]2[C@@H](OC(C)=O)[C@@H](COCc3ccccc3)O[C@@H](O[C@H]3[C@H](O[C@@H]4O[C@@H](C)[C@@H](OCc5ccccc5)[C@@H](OCc5ccccc5)[C@@H]4OCc4ccccc4)[C@@H](NC(C)=O)[C@H](NC(=O)CCOCCOCCOCCOCCNC(=O)C[C@H](NC(=O)[C@H](CCC(=O)OCc4ccccc4)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CC(=O)OCc4ccccc4)NC(=O)[C@H](Cc4ccc(CS(=O)(=O)O)cc4)NC(=O)OCC4c5ccccc5-c5ccccc54)C(=O)N[C@@H](CCC(=O)OCc4ccccc4)C(N)=O)O[C@@H]3COCc3ccccc3)[C@@H]2OC(C)=O)C[C@H](OC(C)=O)[C@@H](NC(C)=O)[C@H]([C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)O1	COC(=O)C1(OC2C(OC(C)=O)C(COCc3ccccc3)OC(OC3C(COCc4ccccc4)OC(NC(=O)CCOCCOCCOCCOCCNC(=O)CC(NC(=O)C(CCC(=O)OCc4ccccc4)NC(=O)C4CCCN4C(=O)C(CC(C)C)NC(=O)C(Cc4ccccc4)NC(=O)C(CC(=O)OCc4ccccc4)NC(=O)C(Cc4ccc(CS(=O)(=O)O)cc4)NC(=O)OCC4c5ccccc5-c5ccccc54)C(=O)NC(CCC(=O)OCc4ccccc4)C(N)=O)C(NC(C)=O)C3OC3OC(C)C(OCc4ccccc4)C(OCc4ccccc4)C3OCc3ccccc3)C2OC(C)=O)CC(OC(C)=O)C(NC(C)=O)C(C(OC(C)=O)C(COC(C)=O)OC(C)=O)O1	TZXFUOXUCRJLHD-WMNHOTKXSA-N	.							
PDC_01521	"FLPENE - O-(N-acetyl-4,7,8,9-tetra-O-acetyl-1-methyl-&alpha;-neuraminosyl)-(23)-O-2,4-di-O-acetyl-6-O-(phenylmethyl)-&beta;-D-galactopyranosyl-(14)-O-[6-deoxy-2,3,4-tris-O-(phenylmethyl)-&alpha;-L-galactopyranosyl-(13)]-2-(acetylamino)-2-deoxy-6-O-(phenylmethyl)-&beta;-D-glucopyranosylamine conjugate"	46	80	"InChI=1S/C153H187N11O46/c1-93(2)78-120(161-144(179)118(79-103-42-21-13-22-43-103)162-152(184)198-89-115-113-60-39-37-58-111(113)112-59-38-40-61-114(112)115)148(182)164-69-41-62-121(164)146(181)159-117(64-66-129(176)194-85-107-50-29-17-30-51-107)143(178)160-119(145(180)158-116(142(154)177)63-65-128(175)193-84-106-48-27-16-28-49-106)80-127(174)155-68-71-187-73-75-189-77-76-188-74-72-186-70-67-126(173)163-147-131(157-96(5)166)136(208-149-140(197-88-110-56-35-20-36-57-110)138(196-87-109-54-33-19-34-55-109)132(94(3)199-149)195-86-108-52-31-18-32-53-108)133(123(205-147)90-190-82-104-44-23-14-24-45-104)207-150-141(204-102(11)172)139(135(203-101(10)171)124(206-150)91-191-83-105-46-25-15-26-47-105)210-153(151(183)185-12)81-122(200-98(7)168)130(156-95(4)165)137(209-153)134(202-100(9)170)125(201-99(8)169)92-192-97(6)167/h13-40,42-61,93-94,115-125,130-141,147,149-150H,41,62-92H2,1-12H3,(H2,154,177)(H,155,174)(H,156,165)(H,157,166)(H,158,180)(H,159,181)(H,160,178)(H,161,179)(H,162,184)(H,163,173)/t94-,116-,117-,118-,119-,120-,121-,122-,123+,124+,125+,130+,131+,132+,133+,134+,135-,136+,137+,138+,139-,140-,141+,147+,149-,150-,153-/m0/s1"	COC(=O)[C@@]1(O[C@H]2[C@@H](OC(C)=O)[C@@H](COCc3ccccc3)O[C@@H](O[C@H]3[C@H](O[C@@H]4O[C@@H](C)[C@@H](OCc5ccccc5)[C@@H](OCc5ccccc5)[C@@H]4OCc4ccccc4)[C@@H](NC(C)=O)[C@H](NC(=O)CCOCCOCCOCCOCCNC(=O)C[C@H](NC(=O)[C@H](CCC(=O)OCc4ccccc4)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc4ccccc4)NC(=O)OCC4c5ccccc5-c5ccccc54)C(=O)N[C@@H](CCC(=O)OCc4ccccc4)C(N)=O)O[C@@H]3COCc3ccccc3)[C@@H]2OC(C)=O)C[C@H](OC(C)=O)[C@@H](NC(C)=O)[C@H]([C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)O1	COC(=O)C1(OC2C(OC(C)=O)C(COCc3ccccc3)OC(OC3C(COCc4ccccc4)OC(NC(=O)CCOCCOCCOCCOCCNC(=O)CC(NC(=O)C(CCC(=O)OCc4ccccc4)NC(=O)C4CCCN4C(=O)C(CC(C)C)NC(=O)C(Cc4ccccc4)NC(=O)OCC4c5ccccc5-c5ccccc54)C(=O)NC(CCC(=O)OCc4ccccc4)C(N)=O)C(NC(C)=O)C3OC3OC(C)C(OCc4ccccc4)C(OCc4ccccc4)C3OCc3ccccc3)C2OC(C)=O)CC(OC(C)=O)C(NC(C)=O)C(C(OC(C)=O)C(COC(C)=O)OC(C)=O)O1	BFUUPFIRHYCIDD-LXVOBZHKSA-N	.							
PDC_01522	Tetrapeptide 39 - 6-[[[5-(Dimethylamino)-1-naphthalenyl]sulfonyl]amino]hexanoic acid conjugate 1	21	45	"InChI=1S/C79H99N13O16S/c1-53(2)73(78(99)86-70-49-67(79(100)106-8)92(89-70)51-57-34-38-59(105-7)39-35-57)87-74(95)62(28-17-19-40-80-71(93)31-16-11-18-41-81-109(101,102)68-30-21-26-60-61(68)27-20-29-65(60)90(3)4)82-75(96)63(46-54-22-12-9-13-23-54)83-76(97)64(47-55-24-14-10-15-25-55)84-77(98)66-48-69(85-72(94)52-108-45-44-107-43-42-103-5)88-91(66)50-56-32-36-58(104-6)37-33-56/h9-10,12-15,20-27,29-30,32-39,48-49,53,62-64,73,81H,11,16-19,28,31,40-47,50-52H2,1-8H3,(H,80,93)(H,82,96)(H,83,97)(H,84,98)(H,87,95)(H,85,88,94)(H,86,89,99)/t62-,63-,64-,73-/m0/s1"	COCCOCCOCC(=O)Nc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCNC(=O)CCCCCNS(=O)(=O)c2cccc3c(N(C)C)cccc23)C(=O)N[C@H](C(=O)Nc2cc(C(=O)OC)n(Cc3ccc(OC)cc3)n2)C(C)C)n(Cc2ccc(OC)cc2)n1	COCCOCCOCC(=O)Nc1cc(C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2ccccc2)C(=O)NC(CCCCNC(=O)CCCCCNS(=O)(=O)c2cccc3c(N(C)C)cccc23)C(=O)NC(C(=O)Nc2cc(C(=O)OC)n(Cc3ccc(OC)cc3)n2)C(C)C)n(Cc2ccc(OC)cc2)n1	MKYXDEOUMDTDJY-ODQUALRMSA-N	.							
PDC_01523	"Tetrapeptide 39 - 1H-Pyrazole-5-carboxylic acid, 3-amino-1-[(4-methoxyphenyl)methyl]-methyl ester conjugate 1"	19	36	"InChI=1S/C66H85N11O15/c1-43(2)58(63(83)72-56-39-54(64(84)89-9)77(75-56)41-47-25-29-49(88-8)30-26-47)73-59(79)50(22-16-17-31-67-65(85)92-66(3,4)5)68-60(80)51(36-44-18-12-10-13-19-44)69-61(81)52(37-45-20-14-11-15-21-45)70-62(82)53-38-55(71-57(78)42-91-35-34-90-33-32-86-6)74-76(53)40-46-23-27-48(87-7)28-24-46/h10-15,18-21,23-30,38-39,43,50-52,58H,16-17,22,31-37,40-42H2,1-9H3,(H,67,85)(H,68,80)(H,69,81)(H,70,82)(H,73,79)(H,71,74,78)(H,72,75,83)/t50-,51-,52-,58-/m0/s1"	COCCOCCOCC(=O)Nc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)Nc2cc(C(=O)OC)n(Cc3ccc(OC)cc3)n2)C(C)C)n(Cc2ccc(OC)cc2)n1	COCCOCCOCC(=O)Nc1cc(C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2ccccc2)C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)NC(C(=O)Nc2cc(C(=O)OC)n(Cc3ccc(OC)cc3)n2)C(C)C)n(Cc2ccc(OC)cc2)n1	PZJONNUAEYLXHT-XKSSWAGWSA-N	.							
PDC_01524	"Tetrapeptide 39 - 1H-Pyrazole-5-carboxylic acid, 3-amino-1-[(4-methoxyphenyl)methyl]-methyl ester conjugate 2"	12	22	"InChI=1S/C47H62N8O9/c1-30(2)40(44(59)52-39-28-38(45(60)63-7)55(54-39)29-33-21-23-34(62-6)24-22-33)53-42(57)36(20-14-15-25-49-46(61)64-47(3,4)5)50-43(58)37(27-32-18-12-9-13-19-32)51-41(56)35(48)26-31-16-10-8-11-17-31/h8-13,16-19,21-24,28,30,35-37,40H,14-15,20,25-27,29,48H2,1-7H3,(H,49,61)(H,50,58)(H,51,56)(H,53,57)(H,52,54,59)/t35-,36-,37-,40-/m0/s1"	COC(=O)c1cc(NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)Cc2ccccc2)C(C)C)nn1Cc1ccc(OC)cc1	COC(=O)c1cc(NC(=O)C(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(Cc2ccccc2)NC(=O)C(N)Cc2ccccc2)C(C)C)nn1Cc1ccc(OC)cc1	WLHKHFTYHKVHDH-HKSLQXHYSA-N	.							
PDC_01525	"Tetrapeptide 39 - 1H-Pyrazole-5-carboxylic acid, 3-amino-1-[(4-methoxyphenyl)methyl]-methyl ester conjugate 3"	13	25	"InChI=1S/C55H68N8O11/c1-36(2)47(51(67)60-46-33-45(52(68)72-7)63(62-46)34-39-26-28-41(71-6)29-27-39)61-48(64)42(25-17-18-30-56-53(69)74-55(3,4)5)57-49(65)43(31-37-19-11-8-12-20-37)58-50(66)44(32-38-21-13-9-14-22-38)59-54(70)73-35-40-23-15-10-16-24-40/h8-16,19-24,26-29,33,36,42-44,47H,17-18,25,30-32,34-35H2,1-7H3,(H,56,69)(H,57,65)(H,58,66)(H,59,70)(H,61,64)(H,60,62,67)/t42-,43-,44-,47-/m0/s1"	COC(=O)c1cc(NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C(C)C)nn1Cc1ccc(OC)cc1	COC(=O)c1cc(NC(=O)C(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)C(C)C)nn1Cc1ccc(OC)cc1	CIEIDZWAUGENMB-KDWUQQBYSA-N	.							
PDC_01526	"Tripeptide 81 - 1H-Pyrazole-5-carboxylic acid, 3-amino-1-[(4-methoxyphenyl)methyl]-methyl ester conjugate 1"	11	18	"InChI=1S/C38H53N7O8/c1-24(2)32(35(48)42-31-22-30(36(49)52-7)45(44-31)23-26-16-18-27(51-6)19-17-26)43-34(47)29(15-11-12-20-40-37(50)53-38(3,4)5)41-33(46)28(39)21-25-13-9-8-10-14-25/h8-10,13-14,16-19,22,24,28-29,32H,11-12,15,20-21,23,39H2,1-7H3,(H,40,50)(H,41,46)(H,43,47)(H,42,44,48)/t28-,29-,32-/m0/s1"	COC(=O)c1cc(NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@@H](N)Cc2ccccc2)C(C)C)nn1Cc1ccc(OC)cc1	COC(=O)c1cc(NC(=O)C(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(N)Cc2ccccc2)C(C)C)nn1Cc1ccc(OC)cc1	NYMRGHNLPARDSA-OLWNVYNHSA-N	.							
PDC_01527	"Tripeptide 81 - 1H-Pyrazole-5-carboxylic acid, 3-amino-1-[(4-methoxyphenyl)methyl]-methyl ester conjugate 2"	12	21	"InChI=1S/C46H59N7O10/c1-30(2)39(42(56)50-38-27-37(43(57)61-7)53(52-38)28-32-21-23-34(60-6)24-22-32)51-40(54)35(20-14-15-25-47-44(58)63-46(3,4)5)48-41(55)36(26-31-16-10-8-11-17-31)49-45(59)62-29-33-18-12-9-13-19-33/h8-13,16-19,21-24,27,30,35-36,39H,14-15,20,25-26,28-29H2,1-7H3,(H,47,58)(H,48,55)(H,49,59)(H,51,54)(H,50,52,56)/t35-,36-,39-/m0/s1"	COC(=O)c1cc(NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C(C)C)nn1Cc1ccc(OC)cc1	COC(=O)c1cc(NC(=O)C(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)C(C)C)nn1Cc1ccc(OC)cc1	RWYKOLOVJAVGAL-YFTHYISFSA-N	.							
PDC_01528	AKLVFF - 6-[[[5-(Dimethylamino)-1-naphthalenyl]sulfonyl]amino]hexanoic acid conjugate	16	38	"InChI=1S/C64H93N9O15S/c1-42(2)38-50(60(78)72-56(43(3)4)61(79)70-51(39-45-22-14-12-15-23-45)59(77)71-52(62(80)84-11)40-46-24-16-13-17-25-46)69-58(76)49(28-18-19-31-65-63(81)88-64(6,7)8)68-57(75)44(5)67-55(74)41-87-37-36-86-35-34-85-33-32-66-89(82,83)54-30-21-26-47-48(54)27-20-29-53(47)73(9)10/h12-17,20-27,29-30,42-44,49-52,56,66H,18-19,28,31-41H2,1-11H3,(H,65,81)(H,67,74)(H,68,75)(H,69,76)(H,70,79)(H,71,77)(H,72,78)/t44-,49-,50-,51-,52-,56-/m0/s1"	COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H](C)NC(=O)COCCOCCOCCNS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(C)C	COC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(C)NC(=O)COCCOCCOCCNS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(C)C	PJYOKRZAIHQZBQ-PVJGATILSA-N	.							
PDC_01529	"KKKKKKKK - 1H-Pyrazole-5-carboxylic acid, 3-amino-1-[(4-methoxyphenyl)methyl]-methyl ester conjugate"	39	73	"InChI=1S/C140H207N25O33/c1-133(2,3)191-124(177)141-73-41-33-53-99(149-113(166)100(54-34-42-74-142-125(178)192-134(4,5)6)150-115(168)102(56-36-44-76-144-127(180)194-136(10,11)12)152-117(170)104(58-38-46-78-146-129(182)196-138(16,17)18)154-119(172)106(60-40-48-80-148-131(184)198-140(22,23)24)156-132(185)190-87-98-96-51-31-29-49-94(96)95-50-30-32-52-97(95)98)114(167)151-101(55-35-43-75-143-126(179)193-135(7,8)9)116(169)153-103(57-37-45-77-145-128(181)195-137(13,14)15)118(171)155-105(59-39-47-79-147-130(183)197-139(19,20)21)120(173)157-110-81-107(163(160-110)84-88-61-67-91(186-25)68-62-88)121(174)158-111-82-108(164(161-111)85-89-63-69-92(187-26)70-64-89)122(175)159-112-83-109(123(176)189-28)165(162-112)86-90-65-71-93(188-27)72-66-90/h29-32,49-52,61-72,81-83,98-106H,33-48,53-60,73-80,84-87H2,1-28H3,(H,141,177)(H,142,178)(H,143,179)(H,144,180)(H,145,181)(H,146,182)(H,147,183)(H,148,184)(H,149,166)(H,150,168)(H,151,167)(H,152,170)(H,153,169)(H,154,172)(H,155,171)(H,156,185)(H,157,160,173)(H,158,161,174)(H,159,162,175)/t99-,100-,101-,102-,103-,104-,105-,106-/m0/s1"	COC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OCC4c5ccccc5-c5ccccc54)nn3Cc3ccc(OC)cc3)nn2Cc2ccc(OC)cc2)nn1Cc1ccc(OC)cc1	COC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)OCC4c5ccccc5-c5ccccc54)nn3Cc3ccc(OC)cc3)nn2Cc2ccc(OC)cc2)nn1Cc1ccc(OC)cc1	MCBIKVZPXMDVEW-HVRUXEPKSA-N	.							
PDC_01530	Tetrapeptide 39 - 6-[[[5-(Dimethylamino)-1-naphthalenyl]sulfonyl]amino]hexanoic acid conjugate 2	17	39	"InChI=1S/C63H83N13O14S/c1-41(2)57(62(83)70-54-39-50(73-75-54)63(84)88-6)71-58(79)46(26-15-17-30-64-55(77)29-14-9-16-31-65-91(85,86)52-28-19-24-44-45(52)25-18-27-51(44)76(3)4)66-59(80)47(36-42-20-10-7-11-21-42)67-60(81)48(37-43-22-12-8-13-23-43)68-61(82)49-38-53(74-72-49)69-56(78)40-90-35-34-89-33-32-87-5/h7-8,10-13,18-25,27-28,38-39,41,46-48,57,65H,9,14-17,26,29-37,40H2,1-6H3,(H,64,77)(H,66,80)(H,67,81)(H,68,82)(H,71,79)(H2,69,72,74,78)(H2,70,73,75,83)/t46-,47-,48-,57-/m0/s1"	COCCOCCOCC(=O)Nc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCNC(=O)CCCCCNS(=O)(=O)c2cccc3c(N(C)C)cccc23)C(=O)N[C@H](C(=O)Nc2cc(C(=O)OC)n[nH]2)C(C)C)n[nH]1	COCCOCCOCC(=O)Nc1cc(C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2ccccc2)C(=O)NC(CCCCNC(=O)CCCCCNS(=O)(=O)c2cccc3c(N(C)C)cccc23)C(=O)NC(C(=O)Nc2cc(C(=O)OC)n[nH]2)C(C)C)n[nH]1	NHIHWORABFPBCI-VQICKLEASA-N	.							
PDC_01531	LPKTGGGGG - Dansyl chloride conjugate	14	27	"InChI=1S/C43H66N12O12S/c1-25(2)19-30(53-68(66,67)33-16-9-11-27-28(33)12-8-14-31(27)54(4)5)43(65)55-18-10-15-32(55)41(63)51-29(13-6-7-17-44)40(62)52-39(26(3)56)42(64)50-24-38(61)49-23-37(60)48-22-36(59)47-21-35(58)46-20-34(45)57/h8-9,11-12,14,16,25-26,29-30,32,39,53,56H,6-7,10,13,15,17-24,44H2,1-5H3,(H2,45,57)(H,46,58)(H,47,59)(H,48,60)(H,49,61)(H,50,64)(H,51,63)(H,52,62)/t26-,29+,30+,32+,39+/m1/s1"	CC(C)C[C@H](NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(N)=O)[C@@H](C)O	CC(C)CC(NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(N)=O)C(C)O	RGWRINUHCYINIX-YAEIFMSYSA-N	.							
PDC_01532	LPKTGGGWW - Dansyl chloride conjugate	14	31	"InChI=1S/C61H80N14O12S/c1-35(2)27-48(73-88(86,87)51-24-13-17-41-42(51)18-12-22-49(41)74(4)5)61(85)75-26-14-23-50(75)59(83)70-45(21-10-11-25-62)57(81)72-55(36(3)76)60(84)68-33-53(78)66-32-52(77)67-34-54(79)69-47(29-38-31-65-44-20-9-7-16-40(38)44)58(82)71-46(56(63)80)28-37-30-64-43-19-8-6-15-39(37)43/h6-9,12-13,15-20,22,24,30-31,35-36,45-48,50,55,64-65,73,76H,10-11,14,21,23,25-29,32-34,62H2,1-5H3,(H2,63,80)(H,66,78)(H,67,77)(H,68,84)(H,69,79)(H,70,83)(H,71,82)(H,72,81)/t36-,45+,46+,47+,48+,50+,55+/m1/s1"	CC(C)C[C@H](NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)[C@@H](C)O	CC(C)CC(NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(C(=O)NCC(=O)NCC(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O)C(C)O	BWRYXQLXZOCRNX-MSVZJRQVSA-N	.							
PDC_01533	LPKTGGYRR - Dansyl chloride conjugate	17	37	"InChI=1S/C58H90N18O13S/c1-33(2)29-43(74-90(88,89)46-20-9-13-37-38(46)14-8-18-44(37)75(4)5)56(87)76-28-12-19-45(76)54(85)72-40(15-6-7-25-59)52(83)73-49(34(3)77)55(86)68-31-47(79)67-32-48(80)69-42(30-35-21-23-36(78)24-22-35)53(84)71-41(17-11-27-66-58(63)64)51(82)70-39(50(60)81)16-10-26-65-57(61)62/h8-9,13-14,18,20-24,33-34,39-43,45,49,74,77-78H,6-7,10-12,15-17,19,25-32,59H2,1-5H3,(H2,60,81)(H,67,79)(H,68,86)(H,69,80)(H,70,82)(H,71,84)(H,72,85)(H,73,83)(H4,61,62,65)(H4,63,64,66)/t34-,39+,40+,41+,42+,43+,45+,49+/m1/s1"	CC(C)C[C@H](NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)[C@@H](C)O	CC(C)CC(NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(C(=O)NCC(=O)NCC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(N)=O)C(C)O	FXOLAEBOZZHWJK-YJLLBBJYSA-N	.							
PDC_01534	LPKTGGWRR - Dansyl chloride conjugate	16	37	"InChI=1S/C60H91N19O12S/c1-34(2)29-45(77-92(90,91)48-24-11-16-38-39(48)17-10-22-46(38)78(4)5)58(89)79-28-14-23-47(79)56(87)75-42(19-8-9-25-61)54(85)76-51(35(3)80)57(88)71-32-49(81)70-33-50(82)72-44(30-36-31-69-40-18-7-6-15-37(36)40)55(86)74-43(21-13-27-68-60(65)66)53(84)73-41(52(62)83)20-12-26-67-59(63)64/h6-7,10-11,15-18,22,24,31,34-35,41-45,47,51,69,77,80H,8-9,12-14,19-21,23,25-30,32-33,61H2,1-5H3,(H2,62,83)(H,70,81)(H,71,88)(H,72,82)(H,73,84)(H,74,86)(H,75,87)(H,76,85)(H4,63,64,67)(H4,65,66,68)/t35-,41+,42+,43+,44+,45+,47+,51+/m1/s1"	CC(C)C[C@H](NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)[C@@H](C)O	CC(C)CC(NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(C(=O)NCC(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(N)=O)C(C)O	BQXXOCRALBFBHR-VJMQRJEISA-N	.							
PDC_01535	LPKTGGVRR - Dansyl chloride conjugate	16	36	"InChI=1S/C54H90N18O12S/c1-30(2)27-38(70-85(83,84)41-22-11-15-33-34(41)16-10-20-39(33)71(6)7)52(82)72-26-14-21-40(72)49(79)66-36(17-8-9-23-55)48(78)69-45(32(5)73)50(80)64-28-42(74)63-29-43(75)68-44(31(3)4)51(81)67-37(19-13-25-62-54(59)60)47(77)65-35(46(56)76)18-12-24-61-53(57)58/h10-11,15-16,20,22,30-32,35-38,40,44-45,70,73H,8-9,12-14,17-19,21,23-29,55H2,1-7H3,(H2,56,76)(H,63,74)(H,64,80)(H,65,77)(H,66,79)(H,67,81)(H,68,75)(H,69,78)(H4,57,58,61)(H4,59,60,62)/t32-,35+,36+,37+,38+,40+,44+,45+/m1/s1"	CC(C)C[C@H](NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C)[C@@H](C)O	CC(C)CC(NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(C(=O)NCC(=O)NCC(=O)NC(C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(N)=O)C(C)C)C(C)O	KSYFESQWXHBFOY-IZTJNWHRSA-N	.							
PDC_01536	LPKTGGTRR - Dansyl chloride conjugate	17	36	"InChI=1S/C53H88N18O13S/c1-29(2)26-37(69-85(83,84)40-21-10-14-32-33(40)15-9-19-38(32)70(5)6)51(82)71-25-13-20-39(71)48(79)65-35(16-7-8-22-54)47(78)68-43(30(3)72)49(80)63-27-41(74)62-28-42(75)67-44(31(4)73)50(81)66-36(18-12-24-61-53(58)59)46(77)64-34(45(55)76)17-11-23-60-52(56)57/h9-10,14-15,19,21,29-31,34-37,39,43-44,69,72-73H,7-8,11-13,16-18,20,22-28,54H2,1-6H3,(H2,55,76)(H,62,74)(H,63,80)(H,64,77)(H,65,79)(H,66,81)(H,67,75)(H,68,78)(H4,56,57,60)(H4,58,59,61)/t30-,31-,34+,35+,36+,37+,39+,43+,44+/m1/s1"	CC(C)C[C@H](NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)[C@@H](C)O)[C@@H](C)O	CC(C)CC(NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(C(=O)NCC(=O)NCC(=O)NC(C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(N)=O)C(C)O)C(C)O	BMBUDXSKHROWJK-ZNOWNREZSA-N	.							
PDC_01537	LPKTGGSRR - Dansyl chloride conjugate	17	36	"InChI=1S/C52H86N18O13S/c1-29(2)25-36(68-84(82,83)40-20-9-13-31-32(40)14-8-18-38(31)69(4)5)50(81)70-24-12-19-39(70)48(79)66-34(15-6-7-21-53)46(77)67-43(30(3)72)49(80)62-26-41(73)61-27-42(74)63-37(28-71)47(78)65-35(17-11-23-60-52(57)58)45(76)64-33(44(54)75)16-10-22-59-51(55)56/h8-9,13-14,18,20,29-30,33-37,39,43,68,71-72H,6-7,10-12,15-17,19,21-28,53H2,1-5H3,(H2,54,75)(H,61,73)(H,62,80)(H,63,74)(H,64,76)(H,65,78)(H,66,79)(H,67,77)(H4,55,56,59)(H4,57,58,60)/t30-,33+,34+,35+,36+,37+,39+,43+/m1/s1"	CC(C)C[C@H](NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)[C@@H](C)O	CC(C)CC(NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(C(=O)NCC(=O)NCC(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(N)=O)C(C)O	RROXAXHMSCDSRT-XOGOKPBHSA-N	.							
PDC_01538	LPKTGGRRR - Dansyl chloride conjugate	17	39	"InChI=1S/C55H93N21O12S/c1-31(2)28-39(74-89(87,88)42-22-9-14-33-34(42)15-8-20-40(33)75(4)5)52(86)76-27-13-21-41(76)50(84)72-37(16-6-7-23-56)49(83)73-45(32(3)77)51(85)68-29-43(78)67-30-44(79)69-36(18-11-25-65-54(60)61)47(81)71-38(19-12-26-66-55(62)63)48(82)70-35(46(57)80)17-10-24-64-53(58)59/h8-9,14-15,20,22,31-32,35-39,41,45,74,77H,6-7,10-13,16-19,21,23-30,56H2,1-5H3,(H2,57,80)(H,67,78)(H,68,85)(H,69,79)(H,70,82)(H,71,81)(H,72,84)(H,73,83)(H4,58,59,64)(H4,60,61,65)(H4,62,63,66)/t32-,35+,36+,37+,38+,39+,41+,45+/m1/s1"	CC(C)C[C@H](NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)[C@@H](C)O	CC(C)CC(NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(C(=O)NCC(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(N)=O)C(C)O	WYFWGALUKJZWOX-JPKVPVNDSA-N	.							
PDC_01539	LPKTGGQRR - Dansyl chloride conjugate	17	38	"InChI=1S/C54H89N19O13S/c1-30(2)27-38(71-87(85,86)41-20-9-13-32-33(41)14-8-18-39(32)72(4)5)52(84)73-26-12-19-40(73)50(82)69-35(15-6-7-23-55)49(81)70-45(31(3)74)51(83)65-28-43(76)64-29-44(77)66-37(21-22-42(56)75)48(80)68-36(17-11-25-63-54(60)61)47(79)67-34(46(57)78)16-10-24-62-53(58)59/h8-9,13-14,18,20,30-31,34-38,40,45,71,74H,6-7,10-12,15-17,19,21-29,55H2,1-5H3,(H2,56,75)(H2,57,78)(H,64,76)(H,65,83)(H,66,77)(H,67,79)(H,68,80)(H,69,82)(H,70,81)(H4,58,59,62)(H4,60,61,63)/t31-,34+,35+,36+,37+,38+,40+,45+/m1/s1"	CC(C)C[C@H](NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)[C@@H](C)O	CC(C)CC(NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(C(=O)NCC(=O)NCC(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(N)=O)C(C)O	OHCLWSUSAALSIG-NUJLYWBTSA-N	.							
PDC_01540	LPKTGGPRR - Dansyl chloride conjugate	16	34	"InChI=1S/C54H88N18O12S/c1-31(2)28-38(69-85(83,84)42-22-9-14-33-34(42)15-8-19-39(33)70(4)5)52(82)72-27-13-21-41(72)50(80)66-36(16-6-7-23-55)48(78)68-45(32(3)73)51(81)64-29-43(74)63-30-44(75)71-26-12-20-40(71)49(79)67-37(18-11-25-62-54(59)60)47(77)65-35(46(56)76)17-10-24-61-53(57)58/h8-9,14-15,19,22,31-32,35-38,40-41,45,69,73H,6-7,10-13,16-18,20-21,23-30,55H2,1-5H3,(H2,56,76)(H,63,74)(H,64,81)(H,65,77)(H,66,80)(H,67,79)(H,68,78)(H4,57,58,61)(H4,59,60,62)/t32-,35+,36+,37+,38+,40+,41+,45+/m1/s1"	CC(C)C[C@H](NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)[C@@H](C)O	CC(C)CC(NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(C(=O)NCC(=O)NCC(=O)N1CCCC1C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(N)=O)C(C)O	CBBXRIATMYMXIL-WPJZCBQWSA-N	.							
PDC_01541	LPKTGGNRR - Dansyl chloride conjugate	17	37	"InChI=1S/C53H87N19O13S/c1-29(2)25-37(70-86(84,85)40-20-9-13-31-32(40)14-8-18-38(31)71(4)5)51(83)72-24-12-19-39(72)49(81)68-34(15-6-7-21-54)47(79)69-44(30(3)73)50(82)64-27-42(75)63-28-43(76)65-36(26-41(55)74)48(80)67-35(17-11-23-62-53(59)60)46(78)66-33(45(56)77)16-10-22-61-52(57)58/h8-9,13-14,18,20,29-30,33-37,39,44,70,73H,6-7,10-12,15-17,19,21-28,54H2,1-5H3,(H2,55,74)(H2,56,77)(H,63,75)(H,64,82)(H,65,76)(H,66,78)(H,67,80)(H,68,81)(H,69,79)(H4,57,58,61)(H4,59,60,62)/t30-,33+,34+,35+,36+,37+,39+,44+/m1/s1"	CC(C)C[C@H](NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)[C@@H](C)O	CC(C)CC(NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(C(=O)NCC(=O)NCC(=O)NC(CC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(N)=O)C(C)O	RAOYRGVZDTULAL-MKSMPCMQSA-N	.							
PDC_01542	LPKTGGMRR - Dansyl chloride conjugate	17	38	"InChI=1S/C54H90N18O12S2/c1-31(2)28-39(70-86(83,84)42-21-10-14-33-34(42)15-9-19-40(33)71(4)5)52(82)72-26-13-20-41(72)50(80)68-36(16-7-8-23-55)49(79)69-45(32(3)73)51(81)64-29-43(74)63-30-44(75)65-38(22-27-85-6)48(78)67-37(18-12-25-62-54(59)60)47(77)66-35(46(56)76)17-11-24-61-53(57)58/h9-10,14-15,19,21,31-32,35-39,41,45,70,73H,7-8,11-13,16-18,20,22-30,55H2,1-6H3,(H2,56,76)(H,63,74)(H,64,81)(H,65,75)(H,66,77)(H,67,78)(H,68,80)(H,69,79)(H4,57,58,61)(H4,59,60,62)/t32-,35+,36+,37+,38+,39+,41+,45+/m1/s1"	CSCC[C@H](NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NS(=O)(=O)c1cccc2c(N(C)C)cccc12)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O	CSCCC(NC(=O)CNC(=O)CNC(=O)C(NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(CC(C)C)NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(C)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(N)=O	CATYUJAJRQHBEH-JPKVPVNDSA-N	.							
PDC_01543	LPKTGGLRR - Dansyl chloride conjugate	16	37	"InChI=1S/C55H92N18O12S/c1-31(2)27-39(50(80)68-38(19-13-25-63-55(60)61)48(78)67-36(47(57)77)18-12-24-62-54(58)59)66-45(76)30-64-44(75)29-65-52(82)46(33(5)74)70-49(79)37(17-8-9-23-56)69-51(81)42-21-14-26-73(42)53(83)40(28-32(3)4)71-86(84,85)43-22-11-15-34-35(43)16-10-20-41(34)72(6)7/h10-11,15-16,20,22,31-33,36-40,42,46,71,74H,8-9,12-14,17-19,21,23-30,56H2,1-7H3,(H2,57,77)(H,64,75)(H,65,82)(H,66,76)(H,67,78)(H,68,80)(H,69,81)(H,70,79)(H4,58,59,62)(H4,60,61,63)/t33-,36+,37+,38+,39+,40+,42+,46+/m1/s1"	CC(C)C[C@H](NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NS(=O)(=O)c1cccc2c(N(C)C)cccc12)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O	CC(C)CC(NC(=O)CNC(=O)CNC(=O)C(NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(CC(C)C)NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(C)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(N)=O	ARDOWZDUYRAZFG-DGWAUUSGSA-N	.							
PDC_01544	LPKTGGKRR - Dansyl chloride conjugate	17	39	"InChI=1S/C55H93N19O12S/c1-32(2)29-40(72-87(85,86)43-23-11-15-34-35(43)16-10-21-41(34)73(4)5)53(84)74-28-14-22-42(74)51(82)70-38(18-7-9-25-57)50(81)71-46(33(3)75)52(83)66-30-44(76)65-31-45(77)67-37(17-6-8-24-56)48(79)69-39(20-13-27-64-55(61)62)49(80)68-36(47(58)78)19-12-26-63-54(59)60/h10-11,15-16,21,23,32-33,36-40,42,46,72,75H,6-9,12-14,17-20,22,24-31,56-57H2,1-5H3,(H2,58,78)(H,65,76)(H,66,83)(H,67,77)(H,68,80)(H,69,79)(H,70,82)(H,71,81)(H4,59,60,63)(H4,61,62,64)/t33-,36+,37+,38+,39+,40+,42+,46+/m1/s1"	CC(C)C[C@H](NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)[C@@H](C)O	CC(C)CC(NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(C(=O)NCC(=O)NCC(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(N)=O)C(C)O	HTTHCZIZLWEYLH-DGWAUUSGSA-N	.							
PDC_01545	LPKTGGIRR - Dansyl chloride conjugate	16	37	"InChI=1S/C55H92N18O12S/c1-8-32(4)45(52(82)68-38(20-14-26-63-55(60)61)48(78)66-36(47(57)77)19-13-25-62-54(58)59)69-44(76)30-64-43(75)29-65-51(81)46(33(5)74)70-49(79)37(18-9-10-24-56)67-50(80)41-22-15-27-73(41)53(83)39(28-31(2)3)71-86(84,85)42-23-12-16-34-35(42)17-11-21-40(34)72(6)7/h11-12,16-17,21,23,31-33,36-39,41,45-46,71,74H,8-10,13-15,18-20,22,24-30,56H2,1-7H3,(H2,57,77)(H,64,75)(H,65,81)(H,66,78)(H,67,80)(H,68,82)(H,69,76)(H,70,79)(H4,58,59,62)(H4,60,61,63)/t32-,33+,36-,37-,38-,39-,41-,45-,46-/m0/s1"	CC[C@H](C)[C@H](NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NS(=O)(=O)c1cccc2c(N(C)C)cccc12)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O	CCC(C)C(NC(=O)CNC(=O)CNC(=O)C(NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(CC(C)C)NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(C)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(N)=O	WDNWTTSXSWMMTH-MVZBJWGNSA-N	.							
PDC_01546	LPKTGGHRR - Dansyl chloride conjugate	17	37	"InChI=1S/C55H88N20O12S/c1-31(2)25-40(73-88(86,87)43-20-9-13-34-35(43)14-8-18-41(34)74(4)5)53(85)75-24-12-19-42(75)51(83)71-37(15-6-7-21-56)49(81)72-46(32(3)76)52(84)66-28-44(77)65-29-45(78)68-39(26-33-27-62-30-67-33)50(82)70-38(17-11-23-64-55(60)61)48(80)69-36(47(57)79)16-10-22-63-54(58)59/h8-9,13-14,18,20,27,30-32,36-40,42,46,73,76H,6-7,10-12,15-17,19,21-26,28-29,56H2,1-5H3,(H2,57,79)(H,62,67)(H,65,77)(H,66,84)(H,68,78)(H,69,80)(H,70,82)(H,71,83)(H,72,81)(H4,58,59,63)(H4,60,61,64)/t32-,36+,37+,38+,39+,40+,42+,46+/m1/s1"	CC(C)C[C@H](NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)[C@@H](C)O	CC(C)CC(NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(C(=O)NCC(=O)NCC(=O)NC(Cc1cnc[nH]1)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(N)=O)C(C)O	GMTOJCAHKCABIU-JXSGKHMZSA-N	.							
PDC_01547	LPKTGGGRR - Dansyl chloride conjugate	16	35	"InChI=1S/C51H84N18O12S/c1-29(2)25-36(67-82(80,81)39-20-9-13-31-32(39)14-8-18-37(31)68(4)5)49(79)69-24-12-19-38(69)47(77)65-35(15-6-7-21-52)46(76)66-43(30(3)70)48(78)62-27-41(72)60-26-40(71)61-28-42(73)63-34(17-11-23-59-51(56)57)45(75)64-33(44(53)74)16-10-22-58-50(54)55/h8-9,13-14,18,20,29-30,33-36,38,43,67,70H,6-7,10-12,15-17,19,21-28,52H2,1-5H3,(H2,53,74)(H,60,72)(H,61,71)(H,62,78)(H,63,73)(H,64,75)(H,65,77)(H,66,76)(H4,54,55,58)(H4,56,57,59)/t30-,33+,34+,35+,36+,38+,43+/m1/s1"	CC(C)C[C@H](NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)[C@@H](C)O	CC(C)CC(NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(C(=O)NCC(=O)NCC(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(N)=O)C(C)O	FNFFSMFGBGKOHS-UFMLDLIISA-N	.							
PDC_01548	LPKTGGFRR - Dansyl chloride conjugate	16	37	"InChI=1S/C58H90N18O12S/c1-34(2)30-43(74-89(87,88)46-25-12-18-37-38(46)19-11-23-44(37)75(4)5)56(86)76-29-15-24-45(76)54(84)72-40(20-9-10-26-59)52(82)73-49(35(3)77)55(85)68-32-47(78)67-33-48(79)69-42(31-36-16-7-6-8-17-36)53(83)71-41(22-14-28-66-58(63)64)51(81)70-39(50(60)80)21-13-27-65-57(61)62/h6-8,11-12,16-19,23,25,34-35,39-43,45,49,74,77H,9-10,13-15,20-22,24,26-33,59H2,1-5H3,(H2,60,80)(H,67,78)(H,68,85)(H,69,79)(H,70,81)(H,71,83)(H,72,84)(H,73,82)(H4,61,62,65)(H4,63,64,66)/t35-,39+,40+,41+,42+,43+,45+,49+/m1/s1"	CC(C)C[C@H](NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)[C@@H](C)O	CC(C)CC(NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(C(=O)NCC(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(N)=O)C(C)O	WEEOOGHBNGWBIX-KNEKAYMKSA-N	.							
PDC_01549	LPKTGQRR - Dansyl chloride conjugate	16	36	"InChI=1S/C52H86N18O12S/c1-29(2)27-37(68-83(81,82)40-20-9-13-31-32(40)14-8-18-38(31)69(4)5)50(80)70-26-12-19-39(70)48(78)66-34(15-6-7-23-53)47(77)67-43(30(3)71)49(79)62-28-42(73)63-36(21-22-41(54)72)46(76)65-35(17-11-25-61-52(58)59)45(75)64-33(44(55)74)16-10-24-60-51(56)57/h8-9,13-14,18,20,29-30,33-37,39,43,68,71H,6-7,10-12,15-17,19,21-28,53H2,1-5H3,(H2,54,72)(H2,55,74)(H,62,79)(H,63,73)(H,64,75)(H,65,76)(H,66,78)(H,67,77)(H4,56,57,60)(H4,58,59,61)/t30-,33+,34+,35+,36+,37+,39+,43+/m1/s1"	CC(C)C[C@H](NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)[C@@H](C)O	CC(C)CC(NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(C(=O)NCC(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(N)=O)C(C)O	XMOLVBZXVYCWIV-XOGOKPBHSA-N	.							
PDC_01550	LPKTGLRR - Dansyl chloride conjugate	15	35	"InChI=1S/C53H89N17O11S/c1-30(2)27-38(48(76)65-37(19-13-25-61-53(58)59)46(74)64-35(45(55)73)18-12-24-60-52(56)57)63-43(72)29-62-50(78)44(32(5)71)67-47(75)36(17-8-9-23-54)66-49(77)41-21-14-26-70(41)51(79)39(28-31(3)4)68-82(80,81)42-22-11-15-33-34(42)16-10-20-40(33)69(6)7/h10-11,15-16,20,22,30-32,35-39,41,44,68,71H,8-9,12-14,17-19,21,23-29,54H2,1-7H3,(H2,55,73)(H,62,78)(H,63,72)(H,64,74)(H,65,76)(H,66,77)(H,67,75)(H4,56,57,60)(H4,58,59,61)/t32-,35+,36+,37+,38+,39+,41+,44+/m1/s1"	CC(C)C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NS(=O)(=O)c1cccc2c(N(C)C)cccc12)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O	CC(C)CC(NC(=O)CNC(=O)C(NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(CC(C)C)NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(C)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(N)=O	LCDIWYLBHKCRGJ-OYGJSPFKSA-N	.							
PDC_01551	LTVSPWY - Vitamin E succinate conjugate	14	38	"InChI=1S/C76H112N8O15/c1-43(2)20-16-21-46(7)22-17-23-47(8)24-18-35-76(13)36-34-55-50(11)67(48(9)49(10)68(55)99-76)98-64(89)33-32-63(88)78-58(38-44(3)4)70(91)83-66(51(12)86)73(94)82-65(45(5)6)72(93)81-61(42-85)74(95)84-37-19-27-62(84)71(92)79-59(40-53-41-77-57-26-15-14-25-56(53)57)69(90)80-60(75(96)97)39-52-28-30-54(87)31-29-52/h14-15,25-26,28-31,41,43-47,51,58-62,65-66,77,85-87H,16-24,27,32-40,42H2,1-13H3,(H,78,88)(H,79,92)(H,80,90)(H,81,93)(H,82,94)(H,83,91)(H,96,97)/t46-,47-,51-,58+,59+,60+,61+,62+,65+,66+,76-/m1/s1"	Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(C)C)[C@@H](C)O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2	Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(C(=O)NC(CO)C(=O)N1CCCC1C(=O)NC(Cc1c[nH]c3ccccc13)C(=O)NC(Cc1ccc(O)cc1)C(=O)O)C(C)C)C(C)O)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2	VMTHDUBNZAIMOK-WPCWAGLXSA-N	.							
PDC_01552	"NVPGNVPG - O-6-deoxy-2,3,4-tris-O-(phenylmethyl)-&alpha;-L-galactopyranosyl-(13)-O-[6-O-(phenylmethyl)-&beta;-D-galactopyranosyl-(14)]-2-(acetylamino)-2-deoxy-6-O-(phenylmethyl)-&beta;-D-glucopyranosyl azide conjugate 1"	62	66	"InChI=1S/C116H192N16O64/c1-49(2)75-107(169)131-19-11-13-59(131)103(167)119-42-74(152)126-58(38-72(150)118-18-24-178-28-32-182-36-34-180-30-26-176-22-16-70(148)128-106-80(124-56(10)142)98(192-110-90(162)88(160)82(154)52(6)184-110)94(68(48-138)186-106)190-112-92(164)100(86(158)66(46-136)188-112)196-116(114(173)174)40-62(144)78(122-54(8)140)96(194-116)84(156)64(146)44-134)102(166)130-76(50(3)4)108(170)132-20-12-14-60(132)104(168)120-41-73(151)125-57(101(165)129-75)37-71(149)117-17-23-177-27-31-181-35-33-179-29-25-175-21-15-69(147)127-105-79(123-55(9)141)97(191-109-89(161)87(159)81(153)51(5)183-109)93(67(47-137)185-105)189-111-91(163)99(85(157)65(45-135)187-111)195-115(113(171)172)39-61(143)77(121-53(7)139)95(193-115)83(155)63(145)43-133/h49-52,57-68,75-100,105-106,109-112,133-138,143-146,153-164H,11-48H2,1-10H3,(H,117,149)(H,118,150)(H,119,167)(H,120,168)(H,121,139)(H,122,140)(H,123,141)(H,124,142)(H,125,151)(H,126,152)(H,127,147)(H,128,148)(H,129,165)(H,130,166)(H,171,172)(H,173,174)/t51-,52-,57-,58-,59-,60-,61-,62-,63+,64+,65+,66+,67+,68+,75-,76-,77+,78+,79+,80+,81+,82+,83+,84+,85-,86-,87+,88+,89-,90-,91+,92+,93+,94+,95+,96+,97+,98+,99-,100-,105-,106+,109-,110-,111-,112-,115-,116-/m0/s1"	CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@@H](CO)O[C@H]1NC(=O)CCOCCOCCOCCOCCNC(=O)C[C@@H]1NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)NCCOCCOCCOCCOCCC(=O)N[C@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@]4(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)[C@H]3O)[C@H](O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]2NC(C)=O)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC1=O	CC(=O)NC1C(O)CC(OC2C(O)C(CO)OC(OC3C(CO)OC(NC(=O)CCOCCOCCOCCOCCNC(=O)CC4NC(=O)CNC(=O)C5CCCN5C(=O)C(C(C)C)NC(=O)C(CC(=O)NCCOCCOCCOCCOCCC(=O)NC5OC(CO)C(OC6OC(CO)C(O)C(OC7(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O7)C6O)C(OC6OC(C)C(O)C(O)C6O)C5NC(C)=O)NC(=O)CNC(=O)C5CCCN5C(=O)C(C(C)C)NC4=O)C(NC(C)=O)C3OC3OC(C)C(O)C(O)C3O)C2O)(C(=O)O)OC1C(O)C(O)CO	BJWCRUNVYWJFNW-CMCHXFMTSA-N	.							
PDC_01553	"NVPGNVPG - O-6-deoxy-2,3,4-tris-O-(phenylmethyl)-&alpha;-L-galactopyranosyl-(13)-O-[6-O-(phenylmethyl)-&beta;-D-galactopyranosyl-(14)]-2-(acetylamino)-2-deoxy-6-O-(phenylmethyl)-&beta;-D-glucopyranosyl azide conjugate 2"	62	66	"InChI=1S/C116H192N16O64/c1-49(2)75-107(169)131-19-11-13-59(131)103(167)119-42-74(152)126-58(38-72(150)118-18-24-178-28-32-182-36-34-180-30-26-176-22-16-70(148)128-106-80(124-56(10)142)98(192-110-90(162)88(160)82(154)52(6)184-110)94(68(48-138)186-106)190-112-92(164)100(86(158)66(46-136)188-112)196-116(114(173)174)40-62(144)78(122-54(8)140)96(194-116)84(156)64(146)44-134)102(166)130-76(50(3)4)108(170)132-20-12-14-60(132)104(168)120-41-73(151)125-57(101(165)129-75)37-71(149)117-17-23-177-27-31-181-35-33-179-29-25-175-21-15-69(147)127-105-79(123-55(9)141)97(191-109-89(161)87(159)81(153)51(5)183-109)93(67(47-137)185-105)189-111-91(163)99(85(157)65(45-135)187-111)195-115(113(171)172)39-61(143)77(121-53(7)139)95(193-115)83(155)63(145)43-133/h49-52,57-68,75-100,105-106,109-112,133-138,143-146,153-164H,11-48H2,1-10H3,(H,117,149)(H,118,150)(H,119,167)(H,120,168)(H,121,139)(H,122,140)(H,123,141)(H,124,142)(H,125,151)(H,126,152)(H,127,147)(H,128,148)(H,129,165)(H,130,166)(H,171,172)(H,173,174)/t51-,52-,57-,58-,59-,60-,61-,62-,63+,64+,65+,66+,67+,68+,75-,76-,77+,78+,79+,80+,81+,82+,83+,84+,85-,86-,87+,88+,89-,90-,91+,92+,93+,94+,95+,96+,97+,98+,99-,100-,105+,106+,109-,110-,111-,112-,115-,116-/m0/s1"	CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@@H](CO)O[C@H]1NC(=O)CCOCCOCCOCCOCCNC(=O)C[C@@H]1NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)NCCOCCOCCOCCOCCC(=O)N[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@]4(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)[C@H]3O)[C@H](O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]2NC(C)=O)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC1=O	CC(=O)NC1C(O)CC(OC2C(O)C(CO)OC(OC3C(CO)OC(NC(=O)CCOCCOCCOCCOCCNC(=O)CC4NC(=O)CNC(=O)C5CCCN5C(=O)C(C(C)C)NC(=O)C(CC(=O)NCCOCCOCCOCCOCCC(=O)NC5OC(CO)C(OC6OC(CO)C(O)C(OC7(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O7)C6O)C(OC6OC(C)C(O)C(O)C6O)C5NC(C)=O)NC(=O)CNC(=O)C5CCCN5C(=O)C(C(C)C)NC4=O)C(NC(C)=O)C3OC3OC(C)C(O)C(O)C3O)C2O)(C(=O)O)OC1C(O)C(O)CO	BJWCRUNVYWJFNW-KDMUAMLXSA-N	.							
PDC_01554	FKKKKKKKKK - Fullerene (C60) derivitavie conjugate	21	59	"InChI=1S/C127H126N20O11/c128-34-10-1-19-49(117(149)140-50(20-2-11-35-129)118(150)141-51(21-3-12-36-130)119(151)142-52(22-4-13-37-131)120(152)143-53(23-5-14-38-132)121(153)144-54(24-6-15-39-133)122(154)145-55(25-7-16-40-134)123(155)146-56(26-8-17-41-135)124(156)147-57(125(157)158)27-9-18-42-136)139-116(148)48(137)43-45-28-30-46(31-29-45)138-47-32-33-126-112-104-96-86-76-68-60-58-59-62-66-64(60)72-80-74(66)84-78-70(62)71-63(59)67-65-61(58)69(68)77-83-73(65)81-75(67)85-79(71)89-88(78)98-92(84)102-94(80)100(90(96)82(72)76)106(112)108(102)114-110(98)111-99(89)93(85)103-95(81)101-91(83)97(87(77)86)105(104)113(126)107(101)109(103)115(111)127(114,126)44-47/h28-31,47-57,138H,1-27,32-44,128-137H2,(H,139,148)(H,140,149)(H,141,150)(H,142,151)(H,143,152)(H,144,153)(H,145,154)(H,146,155)(H,147,156)(H,157,158)"	NCCCCC(NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(N)Cc1ccc(NC2CCC34c5c6c7c8c9c%10c(c%11c%12c3c3c5c5c%13c6c6c7c7c9c9c%14c%10c%10c%11c%11c%12c%12c3c3c5c5c%13c%13c6c6c7c9c7c9c%14c%10c%10c%11c%11c%12c3c3c5c5c%13c6c7c6c9c%10c%11c3c56)C84C2)cc1)C(=O)O	NCCCCC(NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(N)Cc1ccc(NC2CCC34c5c6c7c8c9c%10c(c%11c%12c3c3c5c5c%13c6c6c7c7c9c9c%14c%10c%10c%11c%11c%12c%12c3c3c5c5c%13c%13c6c6c7c9c7c9c%14c%10c%10c%11c%11c%12c3c3c5c5c%13c6c7c6c9c%10c%11c3c56)C84C2)cc1)C(=O)O	HJKDSUBZJCKGQB-UHFFFAOYSA-N	.							
PDC_01555	FKEEEEGGGS - Fullerene (C60) derivitavie conjugate 1	23	42	"InChI=1S/C129H83N13O25S/c130-44(118(157)138-45(3-1-2-24-131-126(168)136-36-8-11-41-40(26-36)125(165)167-129(41)42-12-9-38(144)27-51(42)166-52-28-39(145)10-13-43(52)129)120(159)140-48(16-20-58(153)154)122(161)142-49(17-21-59(155)156)123(162)141-47(15-19-57(151)152)121(160)139-46(14-18-56(149)150)119(158)134-31-54(147)132-30-53(146)133-32-55(148)137-50(33-143)124(163)164)25-34-4-6-35(7-5-34)135-37-22-23-127-114-106-98-88-78-70-62-60-61-64-68-66(62)74-82-76(68)86-80-72(64)73-65(61)69-67-63(60)71(70)79-85-75(67)83-77(69)87-81(73)91-90(80)100-94(86)104-96(82)102(92(98)84(74)78)108(114)110(104)116-112(100)113-101(91)95(87)105-97(83)103-93(85)99(89(79)88)107(106)115(127)109(103)111(105)117(113)128(116,127)29-37/h4-13,26-28,37,44-50,135,143-145H,1-3,14-25,29-33,130H2,(H,132,147)(H,133,146)(H,134,158)(H,137,148)(H,138,157)(H,139,160)(H,140,159)(H,141,162)(H,142,161)(H,149,150)(H,151,152)(H,153,154)(H,155,156)(H,163,164)(H2,131,136,168)"	NC(Cc1ccc(NC2CCC34c5c6c7c8c9c%10c(c%11c%12c3c3c5c5c%13c6c6c7c7c9c9c%14c%10c%10c%11c%11c%12c%12c3c3c5c5c%13c%13c6c6c7c9c7c9c%14c%10c%10c%11c%11c%12c3c3c5c5c%13c6c7c6c9c%10c%11c3c56)C84C2)cc1)C(=O)NC(CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)NCC(=O)NCC(=O)NC(CO)C(=O)O	NC(Cc1ccc(NC2CCC34c5c6c7c8c9c%10c(c%11c%12c3c3c5c5c%13c6c6c7c7c9c9c%14c%10c%10c%11c%11c%12c%12c3c3c5c5c%13c%13c6c6c7c9c7c9c%14c%10c%10c%11c%11c%12c3c3c5c5c%13c6c7c6c9c%10c%11c3c56)C84C2)cc1)C(=O)NC(CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)NCC(=O)NCC(=O)NC(CO)C(=O)O	ZTWYIWPGZBHVKV-UHFFFAOYSA-N	.							
PDC_01556	FKEEEEGGGS - Fullerene (C60) derivitavie conjugate	26	61	"InChI=1S/C148H137N21O16S/c149-40-10-1-19-66(136(174)163-67(20-2-11-41-150)137(175)164-68(21-3-12-42-151)138(176)165-69(22-4-13-43-152)139(177)166-70(23-5-14-44-153)140(178)167-71(24-6-15-45-154)141(179)168-72(25-7-16-46-155)142(180)169-73(143(181)182)27-8-17-47-156)162-135(173)65(26-9-18-48-158-145(186)160-56-32-35-61-60(50-56)144(183)185-148(61)62-36-33-58(170)51-74(62)184-75-52-59(171)34-37-63(75)148)161-134(172)64(157)49-54-28-30-55(31-29-54)159-57-38-39-146-130-122-114-104-94-86-78-76-77-80-84-82(78)90-98-92(84)102-96-88(80)89-81(77)85-83-79(76)87(86)95-101-91(83)99-93(85)103-97(89)107-106(96)116-110(102)120-112(98)118(108(114)100(90)94)124(130)126(120)132-128(116)129-117(107)111(103)121-113(99)119-109(101)115(105(95)104)123(122)131(146)125(119)127(121)133(129)147(132,146)53-57/h28-37,50-52,57,64-73,159,170-171H,1-27,38-49,53,149-157H2,(H,161,172)(H,162,173)(H,163,174)(H,164,175)(H,165,176)(H,166,177)(H,167,178)(H,168,179)(H,169,180)(H,181,182)(H2,158,160,186)"	NCCCCC(NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)NC(=O)C(N)Cc1ccc(NC2CCC34c5c6c7c8c9c%10c(c%11c%12c3c3c5c5c%13c6c6c7c7c9c9c%14c%10c%10c%11c%11c%12c%12c3c3c5c5c%13c%13c6c6c7c9c7c9c%14c%10c%10c%11c%11c%12c3c3c5c5c%13c6c7c6c9c%10c%11c3c56)C84C2)cc1)C(=O)O	NCCCCC(NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)NC(=O)C(N)Cc1ccc(NC2CCC34c5c6c7c8c9c%10c(c%11c%12c3c3c5c5c%13c6c6c7c7c9c9c%14c%10c%10c%11c%11c%12c%12c3c3c5c5c%13c%13c6c6c7c9c7c9c%14c%10c%10c%11c%11c%12c3c3c5c5c%13c6c7c6c9c%10c%11c3c56)C84C2)cc1)C(=O)O	PRFOIFQJAWHCIJ-UHFFFAOYSA-N	.							
PDC_01557	FKPKKKRKV - Fluorescein isothiocyanate (FITC) AND derivative conjugate 1	22	47	"InChI=1S/C140H117N19O15S/c1-46(2)125(134(170)171)158-131(167)61(18-6-11-37-144)154-130(166)62(20-13-39-148-136(146)147)155-128(164)59(16-4-9-35-142)152-127(163)58(15-3-8-34-141)153-129(165)60(17-5-10-36-143)156-132(168)64-21-14-40-159(64)133(169)63(19-7-12-38-149-137(175)151-49-26-29-54-53(42-49)135(172)174-140(54)55-30-27-51(160)43-65(55)173-66-44-52(161)28-31-56(66)140)157-126(162)57(145)41-47-22-24-48(25-23-47)150-50-32-33-138-121-113-105-95-85-77-69-67-68-71-75-73(69)81-89-83(75)93-87-79(71)80-72(68)76-74-70(67)78(77)86-92-82(74)90-84(76)94-88(80)98-97(87)107-101(93)111-103(89)109(99(105)91(81)85)115(121)117(111)123-119(107)120-108(98)102(94)112-104(90)110-100(92)106(96(86)95)114(113)122(138)116(110)118(112)124(120)139(123,138)45-50/h22-31,42-44,46,50,57-64,125,150,160-161H,3-21,32-41,45,141-145H2,1-2H3,(H,152,163)(H,153,165)(H,154,166)(H,155,164)(H,156,168)(H,157,162)(H,158,167)(H,170,171)(H4,146,147,148)(H2,149,151,175)"	CC(C)C(NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)NC(=O)C(N)Cc1ccc(NC2CCC34c5c6c7c8c9c%10c(c%11c%12c3c3c5c5c%13c6c6c7c7c9c9c%14c%10c%10c%11c%11c%12c%12c3c3c5c5c%13c%13c6c6c7c9c7c9c%14c%10c%10c%11c%11c%12c3c3c5c5c%13c6c7c6c9c%10c%11c3c56)C84C2)cc1)C(=O)O	CC(C)C(NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)NC(=O)C(N)Cc1ccc(NC2CCC34c5c6c7c8c9c%10c(c%11c%12c3c3c5c5c%13c6c6c7c7c9c9c%14c%10c%10c%11c%11c%12c%12c3c3c5c5c%13c%13c6c6c7c9c7c9c%14c%10c%10c%11c%11c%12c3c3c5c5c%13c6c7c6c9c%10c%11c3c56)C84C2)cc1)C(=O)O	GANWFEFMKMUIOV-UHFFFAOYSA-N	.							
PDC_01558	FKPKKKRKV - Fluorescein isothiocyanate (FITC) AND derivative conjugate	21	45	"InChI=1S/C76H110N18O15S/c1-44(2)63(72(105)106)93-69(102)57(23-9-14-36-80)89-68(101)58(25-16-38-84-74(82)83)90-66(99)55(21-7-12-34-78)87-65(98)54(20-6-11-33-77)88-67(100)56(22-8-13-35-79)91-70(103)60-26-17-39-94(60)71(104)59(92-64(97)53(81)40-45-18-4-3-5-19-45)24-10-15-37-85-75(110)86-46-27-30-50-49(41-46)73(107)109-76(50)51-31-28-47(95)42-61(51)108-62-43-48(96)29-32-52(62)76/h3-5,18-19,27-32,41-44,53-60,63,95-96H,6-17,20-26,33-40,77-81H2,1-2H3,(H,87,98)(H,88,100)(H,89,101)(H,90,99)(H,91,103)(H,92,97)(H,93,102)(H,105,106)(H4,82,83,84)(H2,85,86,110)/t53-,54+,55+,56+,57+,58+,59+,60+,63+/m1/s1"	CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)NC(=O)[C@H](N)Cc1ccccc1)C(=O)O	CC(C)C(NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)NC(=O)C(N)Cc1ccccc1)C(=O)O	AJKBJFHGKLYECY-UIVUBDBGSA-N	.							
PDC_01559	RGDFK - O-&beta;-D-Galactopyranosyl-(13)-O-&beta;-D-galactopyranosyl-(14)-&beta;-D-glucopyranose conjugate	30	35	"InChI=1S/C57H88N10O28/c58-57(59)62-12-6-10-28-50(83)63-23-35(71)64-31(22-36(72)73)53(86)67-30(21-27-7-2-1-3-8-27)52(85)66-29(51(84)65-28)9-4-5-11-60-37-38(42(77)41(37)76)61-13-14-87-15-16-88-17-18-89-19-20-90-54-46(81)44(79)48(34(26-70)93-54)94-56-47(82)49(40(75)33(25-69)92-56)95-55-45(80)43(78)39(74)32(24-68)91-55/h1-3,7-8,28-34,39-40,43-49,54-56,60-61,68-70,74-75,78-82H,4-6,9-26H2,(H,63,83)(H,64,71)(H,65,84)(H,66,85)(H,67,86)(H,72,73)(H4,58,59,62)/t28-,29-,30+,31-,32+,33+,34+,39-,40-,43-,44+,45+,46+,47+,48+,49-,54+,55-,56-/m0/s1"	N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCCNc2c(NCCOCCOCCOCCO[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@H](O)[C@H]3O)c(=O)c2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O	N=C(N)NCCCC1NC(=O)C(CCCCNc2c(NCCOCCOCCOCCOC3OC(CO)C(OC4OC(CO)C(O)C(OC5OC(CO)C(O)C(O)C5O)C4O)C(O)C3O)c(=O)c2=O)NC(=O)C(Cc2ccccc2)NC(=O)C(CC(=O)O)NC(=O)CNC1=O	LLRDGJSVNJINAT-QSGYIESYSA-N	.							
PDC_01560	ARGDX - O-&beta;-D-Galactopyranosyl-(13)-O-&beta;-D-galactopyranosyl-(14)-&beta;-D-glucopyranose conjugate	30	32	"InChI=1S/C56H86N10O28/c1-25-49(82)66-29(5-3-7-61-56(57)58)51(84)63-21-34(70)65-30(19-35(71)72)52(85)62-20-27-16-26(17-28(18-27)50(83)64-25)4-2-6-59-36-37(41(76)40(36)75)60-8-9-86-10-11-87-12-13-88-14-15-89-53-45(80)43(78)47(33(24-69)92-53)93-55-46(81)48(39(74)32(23-68)91-55)94-54-44(79)42(77)38(73)31(22-67)90-54/h16-18,25,29-33,38-39,42-48,53-55,59-60,67-69,73-74,77-81H,2-15,19-24H2,1H3,(H,62,85)(H,63,84)(H,64,83)(H,65,70)(H,66,82)(H,71,72)(H4,57,58,61)/t25-,29-,30-,31+,32+,33+,38-,39-,42-,43+,44+,45+,46+,47+,48-,53+,54-,55-/m0/s1"	C[C@@H]1NC(=O)c2cc(CCCNc3c(NCCOCCOCCOCCO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H]5O)[C@H](O)[C@H]4O)c(=O)c3=O)cc(c2)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC1=O	CC1NC(=O)c2cc(CCCNc3c(NCCOCCOCCOCCOC4OC(CO)C(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5O)C(O)C4O)c(=O)c3=O)cc(c2)CNC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCNC(=N)N)NC1=O	QUAJOQQZEGXART-CJFSQABWSA-N	.							
PDC_01561	"AXGDX - 2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonic acid conjugate"	13	12	"InChI=1S/C48H71N9O12S/c1-26-27(2)39(28(3)33-23-48(11,12)68-38(26)33)70(65,66)57-44(49)50-17-14-16-34-42(62)53-25-36(58)55-35(22-37(59)67-46(5,6)7)43(63)52-24-31-19-30(15-13-18-51-45(64)69-47(8,9)10)20-32(21-31)41(61)54-29(4)40(60)56-34/h19-21,29,34-35H,13-18,22-25H2,1-12H3,(H,51,64)(H,52,63)(H,53,62)(H,54,61)(H,55,58)(H,56,60)(H3,49,50,57)/t29-,34-,35-/m0/s1"	Cc1c(C)c(S(=O)(=O)NC(=N)NCCC[C@@H]2NC(=O)[C@H](C)NC(=O)c3cc(CCCNC(=O)OC(C)(C)C)cc(c3)CNC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)CNC2=O)c(C)c2c1OC(C)(C)C2	Cc1c(C)c(S(=O)(=O)NC(=N)NCCCC2NC(=O)C(C)NC(=O)c3cc(CCCNC(=O)OC(C)(C)C)cc(c3)CNC(=O)C(CC(=O)OC(C)(C)C)NC(=O)CNC2=O)c(C)c2c1OC(C)(C)C2	QADPIFNROHCQDQ-LCFCVFAESA-N	.							
PDC_01562	"DXAXG - 2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonic acid conjugate"	14	22	"InChI=1S/C48H73N9O13S/c1-26-27(2)39(28(3)33-23-48(11,12)69-38(26)33)71(66,67)57-44(50)51-17-14-16-35(43(64)54-25-36(58)59)56-40(61)29(4)55-41(62)32-20-30(15-13-18-52-45(65)70-47(8,9)10)19-31(21-32)24-53-42(63)34(49)22-37(60)68-46(5,6)7/h19-21,29,34-35H,13-18,22-25,49H2,1-12H3,(H,52,65)(H,53,63)(H,54,64)(H,55,62)(H,56,61)(H,58,59)(H3,50,51,57)/t29-,34-,35-/m0/s1"	Cc1c(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)[C@H](C)NC(=O)c2cc(CCCNC(=O)OC(C)(C)C)cc(CNC(=O)[C@@H](N)CC(=O)OC(C)(C)C)c2)C(=O)NCC(=O)O)c(C)c2c1OC(C)(C)C2	Cc1c(C)c(S(=O)(=O)NC(=N)NCCCC(NC(=O)C(C)NC(=O)c2cc(CCCNC(=O)OC(C)(C)C)cc(CNC(=O)C(N)CC(=O)OC(C)(C)C)c2)C(=O)NCC(=O)O)c(C)c2c1OC(C)(C)C2	UGSILDLNKCQHNN-LCFCVFAESA-N	.							
PDC_01563	ANFPI - AZT monophosphate conjugate 1	15	27	"InChI=1S/C63H72N11O13P/c1-6-40(2)55(61(81)84-5)67-59(79)51-33-22-34-73(51)60(80)50(35-43-23-12-7-13-24-43)66-58(78)49(36-53(75)69-63(44-25-14-8-15-26-44,45-27-16-9-17-28-45)46-29-18-10-19-30-46)65-57(77)42(4)71-88(83,87-47-31-20-11-21-32-47)85-39-52-48(70-72-64)37-54(86-52)74-38-41(3)56(76)68-62(74)82/h7-21,23-32,38,40,42,48-52,54-55H,6,22,33-37,39H2,1-5H3,(H,65,77)(H,66,78)(H,67,79)(H,69,75)(H,71,83)(H,68,76,82)/t40-,42-,48-,49-,50-,51-,52+,54+,55-,88?/m0/s1"	CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1[N-][N+]#N)Oc1ccccc1)C(=O)OC	CCC(C)C(NC(=O)C1CCCN1C(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)C(C)NP(=O)(OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1[N-][N+]#N)Oc1ccccc1)C(=O)OC	HOGALASLRUCPCQ-MQTNAIFNSA-N	.							
PDC_01564	Tetrapeptide 40 - AZT monophosphate conjugate 1	14	23	"InChI=1S/C57H61N10O12P/c1-37-35-67(56(74)61-51(37)69)50-34-44(63-65-58)48(78-50)36-77-80(75,79-43-28-17-8-18-29-43)64-38(2)52(70)59-45(53(71)60-46(32-39-20-9-4-10-21-39)54(72)66-31-19-30-47(66)55(73)76-3)33-49(68)62-57(40-22-11-5-12-23-40,41-24-13-6-14-25-41)42-26-15-7-16-27-42/h4-18,20-29,35,38,44-48,50H,19,30-34,36H2,1-3H3,(H,59,70)(H,60,71)(H,62,68)(H,64,75)(H,61,69,74)/t38-,44-,45-,46-,47-,48+,50+,80?/m0/s1"	COC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1[N-][N+]#N)Oc1ccccc1	COC(=O)C1CCCN1C(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)C(C)NP(=O)(OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1[N-][N+]#N)Oc1ccccc1	DMEMDEXGQPBNTB-FRHQQRDYSA-N	.							
PDC_01565	Tetrapeptide 40 - AZT monophosphate conjugate 2	14	25	"InChI=1S/C60H67N10O12P/c1-5-39(2)53(58(76)79-4)63-56(74)49-32-21-33-69(49)57(75)48(34-41-22-11-6-12-23-41)62-55(73)47(35-51(71)65-60(42-24-13-7-14-25-42,43-26-15-8-16-27-43)44-28-17-9-18-29-44)67-83(78,82-45-30-19-10-20-31-45)80-38-50-46(66-68-61)36-52(81-50)70-37-40(3)54(72)64-59(70)77/h6-20,22-31,37,39,46-50,52-53H,5,21,32-36,38H2,1-4H3,(H,62,73)(H,63,74)(H,65,71)(H,67,78)(H,64,72,77)/t39-,46-,47-,48-,49-,50+,52+,53-,83?/m0/s1"	CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NP(=O)(OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1[N-][N+]#N)Oc1ccccc1)C(=O)OC	CCC(C)C(NC(=O)C1CCCN1C(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NP(=O)(OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1[N-][N+]#N)Oc1ccccc1)C(=O)OC	ANXDQXVHPPRMLN-OMLXGWHHSA-N	.							
PDC_01566	Tripeptide 82 - AZT monophosphate conjugate 1	13	21	"InChI=1S/C54H56N9O11P/c1-36-34-63(53(69)57-49(36)65)48-33-42(59-61-55)46(73-48)35-72-75(70,74-41-27-16-7-17-28-41)60-43(50(66)56-44(31-37-19-8-3-9-20-37)51(67)62-30-18-29-45(62)52(68)71-2)32-47(64)58-54(38-21-10-4-11-22-38,39-23-12-5-13-24-39)40-25-14-6-15-26-40/h3-17,19-28,34,42-46,48H,18,29-33,35H2,1-2H3,(H,56,66)(H,58,64)(H,60,70)(H,57,65,69)/t42-,43-,44-,45-,46+,48+,75?/m0/s1"	COC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NP(=O)(OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1[N-][N+]#N)Oc1ccccc1	COC(=O)C1CCCN1C(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NP(=O)(OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1[N-][N+]#N)Oc1ccccc1	QHGUOZVULUPORC-SFHWIAGFSA-N	.							
PDC_01567	Tetrapeptide 40 - Azidothymidine conjugate 1	12	16	"InChI=1S/C34H46N10O9/c1-4-18(2)28(33(50)52-17-25-22(41-42-37)15-27(53-25)44-16-19(3)29(46)40-34(44)51)39-31(48)24-11-8-12-43(24)32(49)23(13-20-9-6-5-7-10-20)38-30(47)21(35)14-26(36)45/h5-7,9-10,16,18,21-25,27-28H,4,8,11-15,17,35H2,1-3H3,(H2,36,45)(H,38,47)(H,39,48)(H,40,46,51)/t18-,21-,22-,23-,24-,25+,27+,28-/m0/s1"	CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(N)=O)C(=O)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1[N-][N+]#N	CCC(C)C(NC(=O)C1CCCN1C(=O)C(Cc1ccccc1)NC(=O)C(N)CC(N)=O)C(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1[N-][N+]#N	YLOQUTWFQBZDMN-BISJQAGYSA-N	.							
PDC_01568	Tripeptide 82 - Azidothymidine conjugate 1	11	12	"InChI=1S/C28H35N9O8/c1-15-13-37(28(43)33-24(15)39)23-12-18(34-35-31)21(45-23)14-44-27(42)20-8-5-9-36(20)26(41)19(10-16-6-3-2-4-7-16)32-25(40)17(29)11-22(30)38/h2-4,6-7,13,17-21,23H,5,8-12,14,29H2,1H3,(H2,30,38)(H,32,40)(H,33,39,43)/t17-,18-,19-,20-,21+,23+/m0/s1"	Cc1cn([C@H]2C[C@H]([N-][N+]#N)[C@@H](COC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CC(N)=O)O2)c(=O)[nH]c1=O	Cc1cn(C2CC([N-][N+]#N)C(COC(=O)C3CCCN3C(=O)C(Cc3ccccc3)NC(=O)C(N)CC(N)=O)O2)c(=O)[nH]c1=O	COECTNPTNKSBFG-PMSFMSJRSA-N	.							
PDC_01569	ANFPI - AZT monophosphate conjugate 2	15	23	"InChI=1S/C44H58N11O13P/c1-6-25(2)37(43(62)65-5)49-41(60)33-18-13-19-54(33)42(61)32(20-28-14-9-7-10-15-28)48-40(59)31(21-35(45)56)47-39(58)27(4)52-69(64,68-29-16-11-8-12-17-29)66-24-34-30(51-53-46)22-36(67-34)55-23-26(3)38(57)50-44(55)63/h7-12,14-17,23,25,27,30-34,36-37H,6,13,18-22,24H2,1-5H3,(H2,45,56)(H,47,58)(H,48,59)(H,49,60)(H,52,64)(H,50,57,63)/t25-,27-,30-,31-,32-,33-,34+,36+,37-,69?/m0/s1"	CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1[N-][N+]#N)Oc1ccccc1)C(=O)OC	CCC(C)C(NC(=O)C1CCCN1C(=O)C(Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)C(C)NP(=O)(OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1[N-][N+]#N)Oc1ccccc1)C(=O)OC	JDNBHENBOCQWRE-BMLNXAQLSA-N	.							
PDC_01570	Tetrapeptide 41 - AZT monophosphate conjugate	14	19	"InChI=1S/C38H47N10O12P/c1-22-20-48(38(55)43-33(22)50)32-19-26(44-46-40)30(59-32)21-58-61(56,60-25-13-8-5-9-14-25)45-23(2)34(51)41-27(18-31(39)49)35(52)42-28(17-24-11-6-4-7-12-24)36(53)47-16-10-15-29(47)37(54)57-3/h4-9,11-14,20,23,26-30,32H,10,15-19,21H2,1-3H3,(H2,39,49)(H,41,51)(H,42,52)(H,45,56)(H,43,50,55)/t23-,26-,27-,28-,29-,30+,32+,61?/m0/s1"	COC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1[N-][N+]#N)Oc1ccccc1	COC(=O)C1CCCN1C(=O)C(Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)C(C)NP(=O)(OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1[N-][N+]#N)Oc1ccccc1	DOXJYBYDQYWRPY-DAYMRYTESA-N	.							
PDC_01571	Tetrapeptide 42 - AZT monophosphate conjugate	13	19	"InChI=1S/C40H52N9O11P/c1-6-24(2)34(39(54)57-5)43-37(52)31-18-13-19-48(31)38(53)30(20-27-14-9-7-10-15-27)42-36(51)26(4)46-61(56,60-28-16-11-8-12-17-28)58-23-32-29(45-47-41)21-33(59-32)49-22-25(3)35(50)44-40(49)55/h7-12,14-17,22,24,26,29-34H,6,13,18-21,23H2,1-5H3,(H,42,51)(H,43,52)(H,46,56)(H,44,50,55)/t24-,26-,29-,30-,31-,32+,33+,34-,61?/m0/s1"	CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1[N-][N+]#N)Oc1ccccc1)C(=O)OC	CCC(C)C(NC(=O)C1CCCN1C(=O)C(Cc1ccccc1)NC(=O)C(C)NP(=O)(OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1[N-][N+]#N)Oc1ccccc1)C(=O)OC	SWMKIBAZUHLURC-HOJTXOQMSA-N	.							
PDC_01572	Tripeptide 83 - AZT monophosphate conjugate	12	15	"InChI=1S/C34H41N8O10P/c1-21-19-42(34(47)37-30(21)43)29-18-25(38-40-35)28(51-29)20-50-53(48,52-24-13-8-5-9-14-24)39-22(2)31(44)36-26(17-23-11-6-4-7-12-23)32(45)41-16-10-15-27(41)33(46)49-3/h4-9,11-14,19,22,25-29H,10,15-18,20H2,1-3H3,(H,36,44)(H,39,48)(H,37,43,47)/t22-,25-,26-,27-,28+,29+,53?/m0/s1"	COC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1[N-][N+]#N)Oc1ccccc1	COC(=O)C1CCCN1C(=O)C(Cc1ccccc1)NC(=O)C(C)NP(=O)(OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1[N-][N+]#N)Oc1ccccc1	IGOWQQMXHYFMOM-HTUZIILESA-N	.							
PDC_01573	Tetrapeptide 40 - AZT monophosphate conjugate 3	14	21	"InChI=1S/C41H53N10O12P/c1-5-24(2)35(40(57)60-4)45-38(55)31-17-12-18-50(31)39(56)30(19-26-13-8-6-9-14-26)44-37(54)29(20-33(42)52)48-64(59,63-27-15-10-7-11-16-27)61-23-32-28(47-49-43)21-34(62-32)51-22-25(3)36(53)46-41(51)58/h6-11,13-16,22,24,28-32,34-35H,5,12,17-21,23H2,1-4H3,(H2,42,52)(H,44,54)(H,45,55)(H,48,59)(H,46,53,58)/t24-,28-,29-,30-,31-,32+,34+,35-,64?/m0/s1"	CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NP(=O)(OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1[N-][N+]#N)Oc1ccccc1)C(=O)OC	CCC(C)C(NC(=O)C1CCCN1C(=O)C(Cc1ccccc1)NC(=O)C(CC(N)=O)NP(=O)(OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1[N-][N+]#N)Oc1ccccc1)C(=O)OC	MEAVCQMCNVGHFH-DGWVSPMMSA-N	.							
PDC_01574	Tripeptide 82 - AZT monophosphate conjugate 2	13	17	"InChI=1S/C35H42N9O11P/c1-21-19-44(35(50)39-31(21)46)30-18-24(40-42-37)28(54-30)20-53-56(51,55-23-12-7-4-8-13-23)41-25(17-29(36)45)32(47)38-26(16-22-10-5-3-6-11-22)33(48)43-15-9-14-27(43)34(49)52-2/h3-8,10-13,19,24-28,30H,9,14-18,20H2,1-2H3,(H2,36,45)(H,38,47)(H,41,51)(H,39,46,50)/t24-,25-,26-,27-,28+,30+,56?/m0/s1"	COC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NP(=O)(OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1[N-][N+]#N)Oc1ccccc1	COC(=O)C1CCCN1C(=O)C(Cc1ccccc1)NC(=O)C(CC(N)=O)NP(=O)(OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1[N-][N+]#N)Oc1ccccc1	AQEDUZCMMPAOIE-CNNOEXAXSA-N	.							
PDC_01575	Tripeptide 84 - AZT monophosphate conjugate	12	17	"InChI=1S/C37H47N8O10P/c1-5-23(2)32(36(49)52-4)39-34(47)29-17-12-18-44(29)35(48)28(19-25-13-8-6-9-14-25)42-56(51,55-26-15-10-7-11-16-26)53-22-30-27(41-43-38)20-31(54-30)45-21-24(3)33(46)40-37(45)50/h6-11,13-16,21,23,27-32H,5,12,17-20,22H2,1-4H3,(H,39,47)(H,42,51)(H,40,46,50)/t23-,27-,28-,29-,30+,31+,32-,56?/m0/s1"	CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NP(=O)(OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1[N-][N+]#N)Oc1ccccc1)C(=O)OC	CCC(C)C(NC(=O)C1CCCN1C(=O)C(Cc1ccccc1)NP(=O)(OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1[N-][N+]#N)Oc1ccccc1)C(=O)OC	CHXGVINBZIFDIC-OTEAOENVSA-N	.							
PDC_01576	Dipeptide 36 - AZT monophosphate conjugate	11	13	"InChI=1S/C31H36N7O9P/c1-20-18-38(31(42)33-28(20)39)27-17-23(34-36-32)26(46-27)19-45-48(43,47-22-12-7-4-8-13-22)35-24(16-21-10-5-3-6-11-21)29(40)37-15-9-14-25(37)30(41)44-2/h3-8,10-13,18,23-27H,9,14-17,19H2,1-2H3,(H,35,43)(H,33,39,42)/t23-,24-,25-,26+,27+,48?/m0/s1"	COC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NP(=O)(OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1[N-][N+]#N)Oc1ccccc1	COC(=O)C1CCCN1C(=O)C(Cc1ccccc1)NP(=O)(OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1[N-][N+]#N)Oc1ccccc1	QSOAUFFLMKQUOY-SATPBHJFSA-N	.							
PDC_01577	Tetrapeptide 40 - Azidothymidine conjugate 2	13	18	"InChI=1S/C44H51N11O10/c1-4-24(2)37(43(62)64-23-34-30(52-53-46)21-36(65-34)55-22-25(3)38(57)51-44(55)63)50-41(60)33-15-10-18-54(33)42(61)32(19-26-11-6-5-7-12-26)49-40(59)31(20-35(45)56)48-39(58)29-17-16-27-13-8-9-14-28(27)47-29/h5-9,11-14,16-17,22,24,30-34,36-37H,4,10,15,18-21,23H2,1-3H3,(H2,45,56)(H,48,58)(H,49,59)(H,50,60)(H,51,57,63)/t24-,30-,31-,32-,33-,34+,36+,37-/m0/s1"	CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(=O)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1[N-][N+]#N	CCC(C)C(NC(=O)C1CCCN1C(=O)C(Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1[N-][N+]#N	AYKPGODPRRPWGT-BCEPENCLSA-N	.							
PDC_01578	Tetrapeptide 40 - Azidothymidine conjugate 3	13	22	"InChI=1S/C63H65N11O10/c1-4-39(2)55(61(81)83-38-52-48(71-72-64)36-54(84-52)74-37-40(3)56(76)69-62(74)82)68-59(79)51-30-19-33-73(51)60(80)50(34-41-20-9-5-10-21-41)67-58(78)49(66-57(77)47-32-31-42-22-17-18-29-46(42)65-47)35-53(75)70-63(43-23-11-6-12-24-43,44-25-13-7-14-26-44)45-27-15-8-16-28-45/h5-18,20-29,31-32,37,39,48-52,54-55H,4,19,30,33-36,38H2,1-3H3,(H,66,77)(H,67,78)(H,68,79)(H,70,75)(H,69,76,82)/t39-,48-,49-,50-,51-,52+,54+,55-/m0/s1"	CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)c1ccc2ccccc2n1)C(=O)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1[N-][N+]#N	CCC(C)C(NC(=O)C1CCCN1C(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)c1ccc2ccccc2n1)C(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1[N-][N+]#N	ZPIVPHIHJZJQJI-FKFQSYGNSA-N	.							
PDC_01579	Tetrapeptide 40 - Azidothymidine conjugate 4	13	19	"InChI=1S/C42H52N10O11/c1-4-24(2)35(40(58)61-23-32-28(49-50-44)20-34(63-32)52-21-25(3)36(54)48-41(52)59)47-38(56)31-16-11-17-51(31)39(57)30(18-26-12-7-5-8-13-26)45-37(55)29(19-33(43)53)46-42(60)62-22-27-14-9-6-10-15-27/h5-10,12-15,21,24,28-32,34-35H,4,11,16-20,22-23H2,1-3H3,(H2,43,53)(H,45,55)(H,46,60)(H,47,56)(H,48,54,59)/t24-,28-,29-,30-,31-,32+,34+,35-/m0/s1"	CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1[N-][N+]#N	CCC(C)C(NC(=O)C1CCCN1C(=O)C(Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)OCc1ccccc1)C(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1[N-][N+]#N	MIWXPTXBHDFTRD-UGDCOTJCSA-N	.							
PDC_01580	Tetrapeptide 40 - Azidothymidine conjugate 5	13	23	"InChI=1S/C61H66N10O11/c1-4-39(2)53(58(77)80-38-50-46(68-69-62)35-52(82-50)71-36-40(3)54(73)66-59(71)78)65-56(75)49-31-20-32-70(49)57(76)48(33-41-21-10-5-11-22-41)63-55(74)47(64-60(79)81-37-42-23-12-6-13-24-42)34-51(72)67-61(43-25-14-7-15-26-43,44-27-16-8-17-28-44)45-29-18-9-19-30-45/h5-19,21-30,36,39,46-50,52-53H,4,20,31-35,37-38H2,1-3H3,(H,63,74)(H,64,79)(H,65,75)(H,67,72)(H,66,73,78)/t39-,46-,47-,48-,49-,50+,52+,53-/m0/s1"	CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCc1ccccc1)C(=O)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1[N-][N+]#N	CCC(C)C(NC(=O)C1CCCN1C(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCc1ccccc1)C(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1[N-][N+]#N	BVQYEVWZDULDTB-YXMGANLXSA-N	.							
PDC_01581	Tetrapeptide 40 - Azidothymidine conjugate 6	12	20	"InChI=1S/C53H60N10O9/c1-4-33(2)46(51(69)71-32-43-40(60-61-55)30-45(72-43)63-31-34(3)47(65)58-52(63)70)57-49(67)42-26-17-27-62(42)50(68)41(28-35-18-9-5-10-19-35)56-48(66)39(54)29-44(64)59-53(36-20-11-6-12-21-36,37-22-13-7-14-23-37)38-24-15-8-16-25-38/h5-16,18-25,31,33,39-43,45-46H,4,17,26-30,32,54H2,1-3H3,(H,56,66)(H,57,67)(H,59,64)(H,58,65,70)/t33-,39-,40-,41-,42-,43+,45+,46-/m0/s1"	CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1[N-][N+]#N	CCC(C)C(NC(=O)C1CCCN1C(=O)C(Cc1ccccc1)NC(=O)C(N)CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1[N-][N+]#N	DEWBCNLPNRXGML-MDXORFMYSA-N	.							
PDC_01582	Tetrapeptide 40 - Azidothymidine conjugate 7	13	17	"InChI=1S/C39H54N10O11/c1-7-21(2)31(36(55)58-20-28-24(46-47-41)18-30(59-28)49-19-22(3)32(51)45-37(49)56)44-34(53)27-14-11-15-48(27)35(54)26(16-23-12-9-8-10-13-23)42-33(52)25(17-29(40)50)43-38(57)60-39(4,5)6/h8-10,12-13,19,21,24-28,30-31H,7,11,14-18,20H2,1-6H3,(H2,40,50)(H,42,52)(H,43,57)(H,44,53)(H,45,51,56)/t21-,24-,25-,26-,27-,28+,30+,31-/m0/s1"	CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C(=O)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1[N-][N+]#N	CCC(C)C(NC(=O)C1CCCN1C(=O)C(Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)OC(C)(C)C)C(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1[N-][N+]#N	XJHPGMJWMIATIW-QPPHDJSESA-N	.							
PDC_01583	Tetrapeptide 40 - Azidothymidine conjugate 8	13	19	"InChI=1S/C49H56N10O11/c1-4-27(2)42(47(65)68-26-39-35(56-57-51)23-41(70-39)59-24-28(3)43(61)55-48(59)66)54-45(63)38-19-12-20-58(38)46(64)37(21-29-13-6-5-7-14-29)52-44(62)36(22-40(50)60)53-49(67)69-25-34-32-17-10-8-15-30(32)31-16-9-11-18-33(31)34/h5-11,13-18,24,27,34-39,41-42H,4,12,19-23,25-26H2,1-3H3,(H2,50,60)(H,52,62)(H,53,67)(H,54,63)(H,55,61,66)/t27-,35-,36-,37-,38-,39+,41+,42-/m0/s1"	CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1[N-][N+]#N	CCC(C)C(NC(=O)C1CCCN1C(=O)C(Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1[N-][N+]#N	JOTFQCZTQLMJMT-ABNCNJMQSA-N	.							
PDC_01584	Tetrapeptide 40 - Azidothymidine conjugate 9	13	23	"InChI=1S/C68H70N10O11/c1-4-42(2)60(65(84)87-41-57-53(75-76-69)38-59(89-57)78-39-43(3)61(80)73-66(78)85)72-63(82)56-34-21-35-77(56)64(83)55(36-44-22-9-5-10-23-44)70-62(81)54(71-67(86)88-40-52-50-32-19-17-30-48(50)49-31-18-20-33-51(49)52)37-58(79)74-68(45-24-11-6-12-25-45,46-26-13-7-14-27-46)47-28-15-8-16-29-47/h5-20,22-33,39,42,52-57,59-60H,4,21,34-38,40-41H2,1-3H3,(H,70,81)(H,71,86)(H,72,82)(H,74,79)(H,73,80,85)/t42-,53-,54-,55-,56-,57+,59+,60-/m0/s1"	CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1[N-][N+]#N	CCC(C)C(NC(=O)C1CCCN1C(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1[N-][N+]#N	BJFRGQQLYBBIFH-AIPIXKNMSA-N	.							
PDC_01585	Tripeptide 84 - Azidothymidine conjugate 1	11	14	"InChI=1S/C40H45N9O8/c1-4-23(2)34(39(54)56-22-32-29(46-47-41)20-33(57-32)49-21-24(3)35(50)45-40(49)55)44-37(52)31-15-10-18-48(31)38(53)30(19-25-11-6-5-7-12-25)43-36(51)28-17-16-26-13-8-9-14-27(26)42-28/h5-9,11-14,16-17,21,23,29-34H,4,10,15,18-20,22H2,1-3H3,(H,43,51)(H,44,52)(H,45,50,55)/t23-,29-,30-,31-,32+,33+,34-/m0/s1"	CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2ccccc2n1)C(=O)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1[N-][N+]#N	CCC(C)C(NC(=O)C1CCCN1C(=O)C(Cc1ccccc1)NC(=O)c1ccc2ccccc2n1)C(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1[N-][N+]#N	YHXXOGKIUZLBJP-HCNDJJGASA-N	.							
PDC_01586	Tripeptide 84 - Azidothymidine conjugate 2	11	15	"InChI=1S/C38H46N8O9/c1-4-23(2)32(36(50)53-22-30-27(43-44-39)19-31(55-30)46-20-24(3)33(47)42-37(46)51)41-34(48)29-16-11-17-45(29)35(49)28(18-25-12-7-5-8-13-25)40-38(52)54-21-26-14-9-6-10-15-26/h5-10,12-15,20,23,27-32H,4,11,16-19,21-22H2,1-3H3,(H,40,52)(H,41,48)(H,42,47,51)/t23-,27-,28-,29-,30+,31+,32-/m0/s1"	CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1[N-][N+]#N	CCC(C)C(NC(=O)C1CCCN1C(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1[N-][N+]#N	RGWLVQWSXJIXJV-FDXNDVPUSA-N	.							
PDC_01587	Tripeptide 84 - Azidothymidine conjugate 3	11	15	"InChI=1S/C45H50N8O9/c1-4-26(2)39(43(57)60-25-37-34(50-51-46)22-38(62-37)53-23-27(3)40(54)49-44(53)58)48-41(55)36-19-12-20-52(36)42(56)35(21-28-13-6-5-7-14-28)47-45(59)61-24-33-31-17-10-8-15-29(31)30-16-9-11-18-32(30)33/h5-11,13-18,23,26,33-39H,4,12,19-22,24-25H2,1-3H3,(H,47,59)(H,48,55)(H,49,54,58)/t26-,34-,35-,36-,37+,38+,39-/m0/s1"	CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1[N-][N+]#N	CCC(C)C(NC(=O)C1CCCN1C(=O)C(Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1[N-][N+]#N	PMZCFXXDPPGYIX-SVFYEVKLSA-N	.							
PDC_01588	Tripeptide 82 - Azidothymidine conjugate 2	12	18	"InChI=1S/C57H54N10O9/c1-36-34-67(56(74)62-51(36)69)50-33-44(64-65-58)48(76-50)35-75-55(73)47-27-16-30-66(47)54(72)46(31-37-17-6-2-7-18-37)61-53(71)45(60-52(70)43-29-28-38-19-14-15-26-42(38)59-43)32-49(68)63-57(39-20-8-3-9-21-39,40-22-10-4-11-23-40)41-24-12-5-13-25-41/h2-15,17-26,28-29,34,44-48,50H,16,27,30-33,35H2,1H3,(H,60,70)(H,61,71)(H,63,68)(H,62,69,74)/t44-,45-,46-,47-,48+,50+/m0/s1"	Cc1cn([C@H]2C[C@H]([N-][N+]#N)[C@@H](COC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)NC(=O)c3ccc4ccccc4n3)O2)c(=O)[nH]c1=O	Cc1cn(C2CC([N-][N+]#N)C(COC(=O)C3CCCN3C(=O)C(Cc3ccccc3)NC(=O)C(CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)NC(=O)c3ccc4ccccc4n3)O2)c(=O)[nH]c1=O	DJBLWULUVMWOOR-JVIGGJLESA-N	.							
PDC_01589	Tripeptide 82 - Azidothymidine conjugate 3	12	15	"InChI=1S/C36H41N9O10/c1-21-18-45(35(51)41-31(21)47)30-17-24(42-43-38)28(55-30)20-53-34(50)27-13-8-14-44(27)33(49)26(15-22-9-4-2-5-10-22)39-32(48)25(16-29(37)46)40-36(52)54-19-23-11-6-3-7-12-23/h2-7,9-12,18,24-28,30H,8,13-17,19-20H2,1H3,(H2,37,46)(H,39,48)(H,40,52)(H,41,47,51)/t24-,25-,26-,27-,28+,30+/m0/s1"	Cc1cn([C@H]2C[C@H]([N-][N+]#N)[C@@H](COC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(N)=O)NC(=O)OCc3ccccc3)O2)c(=O)[nH]c1=O	Cc1cn(C2CC([N-][N+]#N)C(COC(=O)C3CCCN3C(=O)C(Cc3ccccc3)NC(=O)C(CC(N)=O)NC(=O)OCc3ccccc3)O2)c(=O)[nH]c1=O	FYKRZMTUGSRMSC-GFAUWWFYSA-N	.							
PDC_01590	Tripeptide 82 - Azidothymidine conjugate 4	11	16	"InChI=1S/C47H49N9O8/c1-30-28-56(46(62)51-42(30)58)41-27-36(53-54-49)39(64-41)29-63-45(61)38-23-14-24-55(38)44(60)37(25-31-15-6-2-7-16-31)50-43(59)35(48)26-40(57)52-47(32-17-8-3-9-18-32,33-19-10-4-11-20-33)34-21-12-5-13-22-34/h2-13,15-22,28,35-39,41H,14,23-27,29,48H2,1H3,(H,50,59)(H,52,57)(H,51,58,62)/t35-,36-,37-,38-,39+,41+/m0/s1"	Cc1cn([C@H]2C[C@H]([N-][N+]#N)[C@@H](COC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)[nH]c1=O	Cc1cn(C2CC([N-][N+]#N)C(COC(=O)C3CCCN3C(=O)C(Cc3ccccc3)NC(=O)C(N)CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)[nH]c1=O	HSEKJVFFGJQDEA-SEMLCUFDSA-N	.							
PDC_01591	Tripeptide 85 - 9-Aminoacridine conjugate 1	7	12	"InChI=1S/C30H38N6O4/c1-6-19(2)26(29(39)32-16-15-31)36-28(38)24(18-40-30(3,4)5)35-25(37)17-33-27-20-11-7-9-13-22(20)34-23-14-10-8-12-21(23)27/h7-14,19,24,26H,6,16-18H2,1-5H3,(H,32,39)(H,33,34)(H,35,37)(H,36,38)/t19-,24-,26-/m0/s1"	CC[C@H](C)[C@H](NC(=O)[C@H](COC(C)(C)C)NC(=O)CNc1c2ccccc2nc2ccccc12)C(=O)NCC#N	CCC(C)C(NC(=O)C(COC(C)(C)C)NC(=O)CNc1c2ccccc2nc2ccccc12)C(=O)NCC#N	PCYIKEOOYJMOEQ-YLORPAJWSA-N	.							
PDC_01592	Tripeptide 85 - 9-Aminoacridine conjugate 2	6	11	"InChI=1S/C28H37N5O4/c1-6-17(2)24(26(29)35)33-27(36)22(16-37-28(3,4)5)32-23(34)15-30-25-18-11-7-9-13-20(18)31-21-14-10-8-12-19(21)25/h7-14,17,22,24H,6,15-16H2,1-5H3,(H2,29,35)(H,30,31)(H,32,34)(H,33,36)/t17-,22-,24-/m0/s1"	CC[C@H](C)[C@H](NC(=O)[C@H](COC(C)(C)C)NC(=O)CNc1c2ccccc2nc2ccccc12)C(N)=O	CCC(C)C(NC(=O)C(COC(C)(C)C)NC(=O)CNc1c2ccccc2nc2ccccc12)C(N)=O	FRISQKMIEUEVTF-OWSXEPHWSA-N	.							
PDC_01593	"RR - 2H-1-Benzopyran-6-sulfonic acid, 3,4-dihydro-2,2,5,7,8-pentamethyl conjugate 1"	13	20	"InChI=1S/C50H79N9O12S2/c1-26(2)24-37(44(62)63)56-42(60)35(18-16-22-53-45(51)58-72(65,66)40-29(5)27(3)38-33(31(40)7)20-21-49(12,13)69-38)55-43(61)36(57-47(64)71-48(9,10)11)19-17-23-54-46(52)59-73(67,68)41-30(6)28(4)39-34(32(41)8)25-50(14,15)70-39/h26,35-37H,16-25H2,1-15H3,(H,55,61)(H,56,60)(H,57,64)(H,62,63)(H3,51,53,58)(H3,52,54,59)/t35-,36-,37-/m0/s1"	Cc1c(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)NS(=O)(=O)c2c(C)c(C)c3c(c2C)CC(C)(C)O3)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)c(C)c2c1OC(C)(C)CC2	Cc1c(C)c(S(=O)(=O)NC(=N)NCCCC(NC(=O)C(CCCNC(=N)NS(=O)(=O)c2c(C)c(C)c3c(c2C)CC(C)(C)O3)NC(=O)OC(C)(C)C)C(=O)NC(CC(C)C)C(=O)O)c(C)c2c1OC(C)(C)CC2	CVTVUFWXBAUWDV-FSEITFBQSA-N	.							
PDC_01594	"RR - 2H-1-Benzopyran-6-sulfonic acid, 3,4-dihydro-2,2,5,7,8-pentamethyl conjugate 2"	10	23	"InChI=1S/C58H72FN9O8S/c1-35(2)32-47(65-53(71)45(60)24-17-31-63-56(62)68-77(74,75)51-37(4)36(3)50-44(38(51)5)29-30-57(6,7)76-50)54(72)66-48(55(73)64-46(52(61)70)33-39-25-27-43(59)28-26-39)34-49(69)67-58(40-18-11-8-12-19-40,41-20-13-9-14-21-41)42-22-15-10-16-23-42/h8-16,18-23,25-28,35,45-48H,17,24,29-34,60H2,1-7H3,(H2,61,70)(H,64,73)(H,65,71)(H,66,72)(H,67,69)(H3,62,63,68)/t45-,46-,47-,48-/m0/s1"	Cc1c(C)c(S(=O)(=O)NC(=N)NCCC[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(N)=O)c(C)c2c1OC(C)(C)CC2	Cc1c(C)c(S(=O)(=O)NC(=N)NCCCC(N)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)NC(Cc2ccc(F)cc2)C(N)=O)c(C)c2c1OC(C)(C)CC2	YSQWLHGFMJNRMS-KVXOYYPDSA-N	.							
PDC_01595	RR - 3-(Benzyloxy)aniline conjugate	7	19	"InChI=1S/C31H48N10O4/c1-20(2)17-26(29(44)39-22-11-6-12-23(18-22)45-19-21-9-4-3-5-10-21)41-28(43)25(14-8-16-38-31(35)36)40-27(42)24(32)13-7-15-37-30(33)34/h3-6,9-12,18,20,24-26H,7-8,13-17,19,32H2,1-2H3,(H,39,44)(H,40,42)(H,41,43)(H4,33,34,37)(H4,35,36,38)/t24-,25-,26-/m0/s1"	CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)Nc1cccc(OCc2ccccc2)c1	CC(C)CC(NC(=O)C(CCCNC(=N)N)NC(=O)C(N)CCCNC(=N)N)C(=O)Nc1cccc(OCc2ccccc2)c1	YAPKICWSMOIAPX-GSDHBNRESA-N	.							
PDC_01596	"Tetrapeptide 43 - 1-(2,4-Dichloro-5-methoxyphenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylic acid conjugate 1"	10	20	"InChI=1S/C36H46F4N12O6/c1-18(2)14-26(32(56)50-27(17-28(41)53)33(57)48-25(29(42)54)15-20-9-11-22(37)12-10-20)49-31(55)24(8-5-13-45-35(43)44)47-34(58)30-46-19(3)52(51-30)23-7-4-6-21(16-23)36(38,39)40/h4,6-7,9-12,16,18,24-27H,5,8,13-15,17H2,1-3H3,(H2,41,53)(H2,42,54)(H,47,58)(H,48,57)(H,49,55)(H,50,56)(H4,43,44,45)/t24-,25-,26-,27-/m0/s1"	Cc1nc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccc(F)cc2)C(N)=O)nn1-c1cccc(C(F)(F)F)c1	Cc1nc(C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(=O)NC(Cc2ccc(F)cc2)C(N)=O)nn1-c1cccc(C(F)(F)F)c1	WMWQSBOFBJKKOM-FWEHEUNISA-N	.							
PDC_01597	Tetrapeptide 43 - 1-(1-Methylethyl)-2-(trifluoromethyl)-1H-benzimidazole-5-carboxylic acid conjugate	9	20	"InChI=1S/C37H49F4N11O6/c1-18(2)14-26(33(57)50-27(17-29(42)53)34(58)48-25(30(43)54)15-20-7-10-22(38)11-8-20)49-32(56)23(6-5-13-46-36(44)45)47-31(55)21-9-12-28-24(16-21)51-35(37(39,40)41)52(28)19(3)4/h7-12,16,18-19,23,25-27H,5-6,13-15,17H2,1-4H3,(H2,42,53)(H2,43,54)(H,47,55)(H,48,58)(H,49,56)(H,50,57)(H4,44,45,46)/t23-,25-,26-,27-/m0/s1"	CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(F)cc1)C(N)=O	CC(C)CC(NC(=O)C(CCCNC(=N)N)NC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C)C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(F)cc1)C(N)=O	XIEHGTYVZRQJTL-MNUOIFNESA-N	.							
PDC_01598	Tetrapeptide 43 - 2-(1H-Pyrrol-1-yl)-6-benzothiazolecarboxylic acid conjugate	10	20	"InChI=1S/C37H46FN11O6S/c1-20(2)16-27(34(54)47-28(19-30(39)50)35(55)45-26(31(40)51)17-21-7-10-23(38)11-8-21)46-33(53)25(6-5-13-43-36(41)42)44-32(52)22-9-12-24-29(18-22)56-37(48-24)49-14-3-4-15-49/h3-4,7-12,14-15,18,20,25-28H,5-6,13,16-17,19H2,1-2H3,(H2,39,50)(H2,40,51)(H,44,52)(H,45,55)(H,46,53)(H,47,54)(H4,41,42,43)/t25-,26-,27-,28-/m0/s1"	CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(F)cc1)C(N)=O	CC(C)CC(NC(=O)C(CCCNC(=N)N)NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(F)cc1)C(N)=O	YHLAQMSAAFIMIW-LJWNLINESA-N	.							
PDC_01599	Tetrapeptide 43 - 2-[(6-Chloro-2-phenyl-1H-benzimidazol-1-yl)oxy]acetic acid conjugate 1	10	22	"InChI=1S/C40H49ClFN11O7/c1-22(2)17-30(38(58)52-31(20-33(43)54)39(59)50-29(35(44)56)18-23-10-13-26(42)14-11-23)51-37(57)28(9-6-16-47-40(45)46)48-34(55)21-60-53-32-19-25(41)12-15-27(32)49-36(53)24-7-4-3-5-8-24/h3-5,7-8,10-15,19,22,28-31H,6,9,16-18,20-21H2,1-2H3,(H2,43,54)(H2,44,56)(H,48,55)(H,50,59)(H,51,57)(H,52,58)(H4,45,46,47)/t28-,29-,30-,31-/m0/s1"	CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)COn1c(-c2ccccc2)nc2ccc(Cl)cc21)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(F)cc1)C(N)=O	CC(C)CC(NC(=O)C(CCCNC(=N)N)NC(=O)COn1c(-c2ccccc2)nc2ccc(Cl)cc21)C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(F)cc1)C(N)=O	XQXONTACRGSHFU-ORYMTKCHSA-N	.							
PDC_01600	Tetrapeptide 43 - L-Arginyl-L-arginyl-N-[3-(phenylmethoxy)phenyl]-L-leucinamide conjugate	10	20	"InChI=1S/C35H45Cl2FN12O6/c1-17(2)11-26(32(54)48-27(16-28(39)51)33(55)46-25(29(40)52)12-19-6-8-22(38)9-7-19)47-31(53)24(5-4-10-43-35(41)42)45-34(56)30-44-18(3)50(49-30)23-14-20(36)13-21(37)15-23/h6-9,13-15,17,24-27H,4-5,10-12,16H2,1-3H3,(H2,39,51)(H2,40,52)(H,45,56)(H,46,55)(H,47,53)(H,48,54)(H4,41,42,43)/t24-,25-,26-,27-/m0/s1"	Cc1nc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccc(F)cc2)C(N)=O)nn1-c1cc(Cl)cc(Cl)c1	Cc1nc(C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(=O)NC(Cc2ccc(F)cc2)C(N)=O)nn1-c1cc(Cl)cc(Cl)c1	RADSDDGEIZVTTR-FWEHEUNISA-N	.							
PDC_01601	Tetrapeptide 43 - 2-[(6-Chloro-2-phenyl-1H-benzimidazol-1-yl)oxy]acetic acid conjugate 2	10	22	"InChI=1S/C40H50FN11O7/c1-23(2)19-30(38(57)51-31(21-33(42)53)39(58)49-29(35(43)55)20-24-14-16-26(41)17-15-24)50-37(56)28(12-8-18-46-40(44)45)47-34(54)22-59-52-32-13-7-6-11-27(32)48-36(52)25-9-4-3-5-10-25/h3-7,9-11,13-17,23,28-31H,8,12,18-22H2,1-2H3,(H2,42,53)(H2,43,55)(H,47,54)(H,49,58)(H,50,56)(H,51,57)(H4,44,45,46)/t28-,29-,30-,31-/m0/s1"	CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)COn1c(-c2ccccc2)nc2ccccc21)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(F)cc1)C(N)=O	CC(C)CC(NC(=O)C(CCCNC(=N)N)NC(=O)COn1c(-c2ccccc2)nc2ccccc21)C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(F)cc1)C(N)=O	NPROCQQBJPWUJK-ORYMTKCHSA-N	.							
PDC_01602	"Tetrapeptide 43 - 3-Nitro-4-(1H-1,2,4-triazol-1-yl)benzoic acid conjugate"	12	21	"InChI=1S/C34H44FN13O8/c1-18(2)12-24(32(53)46-25(15-28(36)49)33(54)44-23(29(37)50)13-19-5-8-21(35)9-6-19)45-31(52)22(4-3-11-41-34(38)39)43-30(51)20-7-10-26(27(14-20)48(55)56)47-17-40-16-42-47/h5-10,14,16-18,22-25H,3-4,11-13,15H2,1-2H3,(H2,36,49)(H2,37,50)(H,43,51)(H,44,54)(H,45,52)(H,46,53)(H4,38,39,41)/t22-,23-,24-,25-/m0/s1"	CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(F)cc1)C(N)=O	CC(C)CC(NC(=O)C(CCCNC(=N)N)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(F)cc1)C(N)=O	IHBOUBMOORSLCR-QORCZRPOSA-N	.							
PDC_01603	"Tetrapeptide 43 - 5-Methyl-1-(4-nitrophenyl)-1H-1,2,4-triazole-3-carboxylic acid conjugate"	12	21	"InChI=1S/C35H46FN13O8/c1-18(2)15-26(32(53)46-27(17-28(37)50)33(54)44-25(29(38)51)16-20-6-8-21(36)9-7-20)45-31(52)24(5-4-14-41-35(39)40)43-34(55)30-42-19(3)48(47-30)22-10-12-23(13-11-22)49(56)57/h6-13,18,24-27H,4-5,14-17H2,1-3H3,(H2,37,50)(H2,38,51)(H,43,55)(H,44,54)(H,45,52)(H,46,53)(H4,39,40,41)/t24-,25-,26-,27-/m0/s1"	Cc1nc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccc(F)cc2)C(N)=O)nn1-c1ccc([N+](=O)[O-])cc1	Cc1nc(C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(=O)NC(Cc2ccc(F)cc2)C(N)=O)nn1-c1ccc([N+](=O)[O-])cc1	SKLCNSUSNOVZSD-FWEHEUNISA-N	.							
PDC_01604	"Tetrapeptide 43 - 1-(4-Fluorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylic acid conjugate"	10	20	"InChI=1S/C35H46F2N12O6/c1-18(2)15-26(32(53)47-27(17-28(38)50)33(54)45-25(29(39)51)16-20-6-8-21(36)9-7-20)46-31(52)24(5-4-14-42-35(40)41)44-34(55)30-43-19(3)49(48-30)23-12-10-22(37)11-13-23/h6-13,18,24-27H,4-5,14-17H2,1-3H3,(H2,38,50)(H2,39,51)(H,44,55)(H,45,54)(H,46,52)(H,47,53)(H4,40,41,42)/t24-,25-,26-,27-/m0/s1"	Cc1nc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccc(F)cc2)C(N)=O)nn1-c1ccc(F)cc1	Cc1nc(C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(=O)NC(Cc2ccc(F)cc2)C(N)=O)nn1-c1ccc(F)cc1	JSRCFNGXFJBQPR-FWEHEUNISA-N	.							
PDC_01605	Tetrapeptide 43 - 4-(2-Thioxo-1-imidazolidinyl)benzoic acid conjugate	8	20	"InChI=1S/C35H48FN11O6S/c1-19(2)16-26(32(52)46-27(18-28(37)48)33(53)44-25(29(38)49)17-20-5-9-22(36)10-6-20)45-31(51)24(4-3-13-41-34(39)40)43-30(50)21-7-11-23(12-8-21)47-15-14-42-35(47)54/h5-12,19,24-27H,3-4,13-18H2,1-2H3,(H2,37,48)(H2,38,49)(H,42,54)(H,43,50)(H,44,53)(H,45,51)(H,46,52)(H4,39,40,41)/t24-,25-,26-,27-/m0/s1"	CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(N2CCNC2=S)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(F)cc1)C(N)=O	CC(C)CC(NC(=O)C(CCCNC(=N)N)NC(=O)c1ccc(N2CCNC2=S)cc1)C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(F)cc1)C(N)=O	LBWKXFLUZNKPGJ-FWEHEUNISA-N	.							
PDC_01606	"Tetrapeptide 43 - 1-(2,4-Dichlorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylic acid conjugate"	10	20	"InChI=1S/C35H45Cl2FN12O6/c1-17(2)13-25(32(54)48-26(16-28(39)51)33(55)46-24(29(40)52)14-19-6-9-21(38)10-7-19)47-31(53)23(5-4-12-43-35(41)42)45-34(56)30-44-18(3)50(49-30)27-11-8-20(36)15-22(27)37/h6-11,15,17,23-26H,4-5,12-14,16H2,1-3H3,(H2,39,51)(H2,40,52)(H,45,56)(H,46,55)(H,47,53)(H,48,54)(H4,41,42,43)/t23-,24-,25-,26-/m0/s1"	Cc1nc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccc(F)cc2)C(N)=O)nn1-c1ccc(Cl)cc1Cl	Cc1nc(C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(=O)NC(Cc2ccc(F)cc2)C(N)=O)nn1-c1ccc(Cl)cc1Cl	JJMAVAQTPFDJAH-CQJMVLFOSA-N	.							
PDC_01607	"Tetrapeptide 43 - 1-(4-Chlorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylic acid conjugate"	10	20	"InChI=1S/C35H46ClFN12O6/c1-18(2)15-26(32(53)47-27(17-28(38)50)33(54)45-25(29(39)51)16-20-6-10-22(37)11-7-20)46-31(52)24(5-4-14-42-35(40)41)44-34(55)30-43-19(3)49(48-30)23-12-8-21(36)9-13-23/h6-13,18,24-27H,4-5,14-17H2,1-3H3,(H2,38,50)(H2,39,51)(H,44,55)(H,45,54)(H,46,52)(H,47,53)(H4,40,41,42)/t24-,25-,26-,27-/m0/s1"	Cc1nc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccc(F)cc2)C(N)=O)nn1-c1ccc(Cl)cc1	Cc1nc(C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(=O)NC(Cc2ccc(F)cc2)C(N)=O)nn1-c1ccc(Cl)cc1	LYNIGOQVZGPSTG-FWEHEUNISA-N	.							
PDC_01608	"Tetrapeptide 43 - 1-(2,4-Dichloro-5-methoxyphenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylic acid conjugate 2"	11	21	"InChI=1S/C36H47Cl2FN12O7/c1-17(2)12-25(33(55)49-26(15-29(40)52)34(56)47-24(30(41)53)13-19-7-9-20(39)10-8-19)48-32(54)23(6-5-11-44-36(42)43)46-35(57)31-45-18(3)51(50-31)27-16-28(58-4)22(38)14-21(27)37/h7-10,14,16-17,23-26H,5-6,11-13,15H2,1-4H3,(H2,40,52)(H2,41,53)(H,46,57)(H,47,56)(H,48,54)(H,49,55)(H4,42,43,44)/t23-,24-,25-,26-/m0/s1"	COc1cc(-n2nc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc3ccc(F)cc3)C(N)=O)nc2C)c(Cl)cc1Cl	COc1cc(-n2nc(C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(=O)NC(Cc3ccc(F)cc3)C(N)=O)nc2C)c(Cl)cc1Cl	CQPMGIMLMMXREJ-CQJMVLFOSA-N	.							
PDC_01609	"Tetrapeptide 43 - 5-Chloro-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid conjugate"	9	20	"InChI=1S/C39H47ClFN11O6/c1-21(2)18-27(36(56)50-28(20-30(42)53)37(57)48-26(34(43)54)19-22-13-15-24(41)16-14-22)49-35(55)25(10-7-17-46-39(44)45)47-38(58)33-32(23-8-4-3-5-9-23)51-31-12-6-11-29(40)52(31)33/h3-6,8-9,11-16,21,25-28H,7,10,17-20H2,1-2H3,(H2,42,53)(H2,43,54)(H,47,58)(H,48,57)(H,49,55)(H,50,56)(H4,44,45,46)/t25-,26-,27-,28-/m0/s1"	CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1c(-c2ccccc2)nc2cccc(Cl)n12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(F)cc1)C(N)=O	CC(C)CC(NC(=O)C(CCCNC(=N)N)NC(=O)c1c(-c2ccccc2)nc2cccc(Cl)n12)C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(F)cc1)C(N)=O	BCIDWECBPXHPOT-LJWNLINESA-N	.							
PDC_01610	GRRRQRRKKRGGC - 5-O-Phosphonoadenylyl-(25)-adenylyl-(25)-adenosine conjugate	69	91	"InChI=1S/C132H188N56O45P4S/c133-31-3-1-11-74(177-115(203)75(12-2-4-32-134)178-116(204)77(16-8-36-155-129(146)147)180-118(206)78(17-9-37-156-130(148)149)182-120(208)80(29-30-87(135)191)183-119(207)79(18-10-38-157-131(150)151)181-117(205)76(15-7-35-154-128(144)145)179-113(201)73(14-6-34-153-127(142)143)174-90(194)44-159-111(199)63-21-26-69-68(39-63)125(211)230-132(69)70-27-24-65(189)40-82(70)226-83-41-66(190)25-28-71(83)132)114(202)176-72(13-5-33-152-126(140)141)112(200)160-42-88(192)158-43-89(193)175-81(124(209)210)52-238-53-91(195)173-64-22-19-62(20-23-64)45-184-46-67(225-92(47-184)185-58-169-93-103(136)161-54-165-107(93)185)48-222-235(215,216)231-101-98(197)85(228-122(101)187-60-171-95-105(138)163-56-167-109(95)187)50-224-237(219,220)233-102-99(198)86(229-123(102)188-61-172-96-106(139)164-57-168-110(96)188)51-223-236(217,218)232-100-97(196)84(49-221-234(212,213)214)227-121(100)186-59-170-94-104(137)162-55-166-108(94)186/h19-28,39-41,54-61,67,72-81,84-86,92,97-102,121-123,189-190,196-198H,1-18,29-38,42-53,133-134H2,(H2,135,191)(H,158,192)(H,159,199)(H,160,200)(H,173,195)(H,174,194)(H,175,193)(H,176,202)(H,177,203)(H,178,204)(H,179,201)(H,180,206)(H,181,205)(H,182,208)(H,183,207)(H,209,210)(H,215,216)(H,217,218)(H,219,220)(H2,136,161,165)(H2,137,162,166)(H2,138,163,167)(H2,139,164,168)(H4,140,141,152)(H4,142,143,153)(H4,144,145,154)(H4,146,147,155)(H4,148,149,156)(H4,150,151,157)(H2,212,213,214)/t67-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,84+,85+,86+,92+,97+,98+,99+,100+,101+,102+,121+,122+,123+/m0/s1"	N=C(N)NCCC[C@H](NC(=O)CNC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)NCC(=O)N[C@@H](CSCC(=O)Nc1ccc(CN2C[C@@H](COP(=O)(O)O[C@@H]3[C@H](O)[C@@H](COP(=O)(O)O[C@@H]4[C@H](O)[C@@H](COP(=O)(O)O[C@@H]5[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]5n5cnc6c(N)ncnc65)O[C@H]4n4cnc5c(N)ncnc54)O[C@H]3n3cnc4c(N)ncnc43)O[C@@H](n3cnc4c(N)ncnc43)C2)cc1)C(=O)O	N=C(N)NCCCC(NC(=O)CNC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NCC(=O)NC(CSCC(=O)Nc1ccc(CN2CC(COP(=O)(O)OC3C(O)C(COP(=O)(O)OC4C(O)C(COP(=O)(O)OC5C(O)C(COP(=O)(O)O)OC5n5cnc6c(N)ncnc65)OC4n4cnc5c(N)ncnc54)OC3n3cnc4c(N)ncnc43)OC(n3cnc4c(N)ncnc43)C2)cc1)C(=O)O	GPPBJMXWWBPYJP-JAEUGJKWSA-N	.							
PDC_01611	CGGRKKRRQRRR - 5-O-Phosphonoadenylyl-(25)-adenylyl-(25)-adenosine conjugate	63	87	"InChI=1S/C109H175N55O38P4S/c110-25-3-1-11-57(93(174)153-58(12-2-4-26-111)94(175)154-59(14-6-28-131-105(120)121)95(176)155-61(16-8-30-133-107(124)125)97(178)158-63(23-24-68(113)165)99(180)157-60(15-7-29-132-106(122)123)96(177)156-62(17-9-31-134-108(126)127)98(179)159-64(103(181)182)18-10-32-135-109(128)129)152-92(173)56(13-5-27-130-104(118)119)151-70(167)34-136-69(166)33-137-91(172)55(112)42-207-43-71(168)150-53-21-19-52(20-22-53)35-160-36-54(196-72(37-160)161-48-146-73-83(114)138-44-142-87(73)161)38-193-204(186,187)200-81-78(170)66(198-101(81)163-50-148-75-85(116)140-46-144-89(75)163)40-195-206(190,191)202-82-79(171)67(199-102(82)164-51-149-76-86(117)141-47-145-90(76)164)41-194-205(188,189)201-80-77(169)65(39-192-203(183,184)185)197-100(80)162-49-147-74-84(115)139-45-143-88(74)162/h19-22,44-51,54-67,72,77-82,100-102,169-171H,1-18,23-43,110-112H2,(H2,113,165)(H,136,166)(H,137,172)(H,150,168)(H,151,167)(H,152,173)(H,153,174)(H,154,175)(H,155,176)(H,156,177)(H,157,180)(H,158,178)(H,159,179)(H,181,182)(H,186,187)(H,188,189)(H,190,191)(H2,114,138,142)(H2,115,139,143)(H2,116,140,144)(H2,117,141,145)(H4,118,119,130)(H4,120,121,131)(H4,122,123,132)(H4,124,125,133)(H4,126,127,134)(H4,128,129,135)(H2,183,184,185)/t54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65+,66+,67+,72+,77+,78+,79+,80+,81+,82+,100+,101+,102+/m0/s1"	N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@@H](N)CSCC(=O)Nc1ccc(CN2C[C@@H](COP(=O)(O)O[C@@H]3[C@H](O)[C@@H](COP(=O)(O)O[C@@H]4[C@H](O)[C@@H](COP(=O)(O)O[C@@H]5[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]5n5cnc6c(N)ncnc65)O[C@H]4n4cnc5c(N)ncnc54)O[C@H]3n3cnc4c(N)ncnc43)O[C@@H](n3cnc4c(N)ncnc43)C2)cc1)C(=O)O	N=C(N)NCCCC(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(N)=O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)C(N)CSCC(=O)Nc1ccc(CN2CC(COP(=O)(O)OC3C(O)C(COP(=O)(O)OC4C(O)C(COP(=O)(O)OC5C(O)C(COP(=O)(O)O)OC5n5cnc6c(N)ncnc65)OC4n4cnc5c(N)ncnc54)OC3n3cnc4c(N)ncnc43)OC(n3cnc4c(N)ncnc43)C2)cc1)C(=O)O	BXIPJPNXLQCZNR-VCWVXXCJSA-N	.							
PDC_01612	CGGRKKRRQRRR - Adenosine monophosphate conjugate	33	69	"InChI=1S/C79H139N40O20PS/c80-25-3-1-11-48(110-65(125)47(13-5-27-97-74(85)86)109-58(122)34-103-57(121)33-104-64(124)46(82)39-141-40-59(123)108-44-21-19-43(20-22-44)35-118-36-45(38-138-140(135,136)137)139-60(37-118)119-42-107-61-62(84)105-41-106-63(61)119)66(126)111-49(12-2-4-26-81)67(127)112-50(14-6-28-98-75(87)88)68(128)113-52(16-8-30-100-77(91)92)70(130)116-54(23-24-56(83)120)72(132)115-51(15-7-29-99-76(89)90)69(129)114-53(17-9-31-101-78(93)94)71(131)117-55(73(133)134)18-10-32-102-79(95)96/h19-22,41-42,45-55,60H,1-18,23-40,80-82H2,(H2,83,120)(H,103,121)(H,104,124)(H,108,123)(H,109,122)(H,110,125)(H,111,126)(H,112,127)(H,113,128)(H,114,129)(H,115,132)(H,116,130)(H,117,131)(H,133,134)(H2,84,105,106)(H4,85,86,97)(H4,87,88,98)(H4,89,90,99)(H4,91,92,100)(H4,93,94,101)(H4,95,96,102)(H2,135,136,137)/t45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,60+/m0/s1"	N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@@H](N)CSCC(=O)Nc1ccc(CN2C[C@@H](COP(=O)(O)O)O[C@@H](n3cnc4c(N)ncnc43)C2)cc1)C(=O)O	N=C(N)NCCCC(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(N)=O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)C(N)CSCC(=O)Nc1ccc(CN2CC(COP(=O)(O)O)OC(n3cnc4c(N)ncnc43)C2)cc1)C(=O)O	BYGPLKOOLILDMO-DKEAXEOASA-N	.							
PDC_01613	"GGRRKKRRQRRR - 2-Morpholinemethanol, 6-(6-amino-9H-purin-9-yl)-4-(3-azidopropyl)-, 2-phosphinephosphate, (2S,6R) conjugate"	35	76	"InChI=1S/C83H152N45O20P/c84-28-5-3-16-50(116-70(136)52(19-8-31-103-78(90)91)117-67(133)49(18-7-30-102-77(88)89)114-62(132)40-110-61(131)39-109-60(130)25-2-1-15-47-41-127(125-124-47)38-14-37-126-42-48(44-147-149(144,145)146)148-63(43-126)128-46-113-64-65(87)111-45-112-66(64)128)68(134)115-51(17-4-6-29-85)69(135)118-53(20-9-32-104-79(92)93)71(137)119-55(22-11-34-106-81(96)97)73(139)122-57(26-27-59(86)129)75(141)121-54(21-10-33-105-80(94)95)72(138)120-56(23-12-35-107-82(98)99)74(140)123-58(76(142)143)24-13-36-108-83(100)101/h41,45-46,48-58,63H,1-40,42-44,84-85H2,(H2,86,129)(H,109,130)(H,110,131)(H,114,132)(H,115,134)(H,116,136)(H,117,133)(H,118,135)(H,119,137)(H,120,138)(H,121,141)(H,122,139)(H,123,140)(H,142,143)(H2,87,111,112)(H4,88,89,102)(H4,90,91,103)(H4,92,93,104)(H4,94,95,105)(H4,96,97,106)(H4,98,99,107)(H4,100,101,108)(H2,144,145,146)/t48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,63+/m0/s1"	N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)CCCCc1cn(CCCN2C[C@@H](COP(=O)(O)O)O[C@@H](n3cnc4c(N)ncnc43)C2)nn1)C(=O)O	N=C(N)NCCCC(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(N)=O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)CCCCc1cn(CCCN2CC(COP(=O)(O)O)OC(n3cnc4c(N)ncnc43)C2)nn1)C(=O)O	WDYJGPKTLAGRDR-OOUUCZLRSA-N	.							
PDC_01614	GKRKKKGKLGKKRPRSRC - Doxorubicin conjugate 1	47	94	"InChI=1S/C124H207N39O34S/c1-65(2)54-81(159-108(180)73(30-8-15-44-128)150-90(167)60-146-104(176)70(27-5-12-41-125)151-109(181)74(31-9-16-45-129)153-110(182)75(32-10-17-46-130)154-111(183)77(34-20-48-142-120(134)135)155-106(178)71(28-6-13-42-126)148-89(166)59-132)105(177)147-61-91(168)149-72(29-7-14-43-127)107(179)152-76(33-11-18-47-131)112(184)158-80(37-23-51-145-123(140)141)117(189)162-52-24-38-84(162)116(188)157-79(36-22-50-144-122(138)139)113(185)160-82(62-164)115(187)156-78(35-21-49-143-121(136)137)114(186)161-83(119(191)192)64-198-87-56-92(169)163(118(87)190)53-25-40-93(170)195-63-88(165)124(193)57-68-96(86(58-124)197-94-55-69(133)99(171)66(3)196-94)103(175)98-97(101(68)173)100(172)67-26-19-39-85(194-4)95(67)102(98)174/h19,26,39,65-66,69-84,86-87,94,99,164,171,173,175,193H,5-18,20-25,27-38,40-64,125-133H2,1-4H3,(H,146,176)(H,147,177)(H,148,166)(H,149,168)(H,150,167)(H,151,181)(H,152,179)(H,153,182)(H,154,183)(H,155,178)(H,156,187)(H,157,188)(H,158,184)(H,159,180)(H,160,185)(H,161,186)(H,191,192)(H4,134,135,142)(H4,136,137,143)(H4,138,139,144)(H4,140,141,145)/t66-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,86-,87?,94-,99+,124-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)CCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)CN)C(=O)O)C1=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)COC(=O)CCCN1C(=O)CC(SCC(NC(=O)C(CCCNC(=N)N)NC(=O)C(CO)NC(=O)C(CCCNC(=N)N)NC(=O)C2CCCN2C(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)CN)C(=O)O)C1=O)CC3OC1CC(N)C(O)C(C)O1	GPYVTVQQFGBKMI-KCMLGKSNSA-N	.							
PDC_01615	SRRARRSPRHLGSGC - Doxorubicin conjugate 1	41	68	"InChI=1S/C101H154N34O33S/c1-45(2)30-58(84(151)120-37-68(140)124-60(40-137)85(152)121-38-69(141)125-62(95(162)163)43-169-66-33-70(142)135(94(66)161)29-13-22-71(143)166-42-67(139)101(164)34-50-74(65(35-101)168-72-32-51(102)77(144)47(4)167-72)81(148)76-75(79(50)146)78(145)49-14-6-21-64(165-5)73(49)80(76)147)131-91(158)59(31-48-36-114-44-122-48)132-89(156)57(19-11-27-119-100(112)113)130-92(159)63-20-12-28-134(63)93(160)61(41-138)133-90(157)56(18-10-26-118-99(110)111)129-87(154)54(16-8-24-116-97(106)107)126-82(149)46(3)123-86(153)53(15-7-23-115-96(104)105)128-88(155)55(17-9-25-117-98(108)109)127-83(150)52(103)39-136/h6,14,21,36,44-47,51-63,65-66,72,77,136-138,144,146,148,164H,7-13,15-20,22-35,37-43,102-103H2,1-5H3,(H,114,122)(H,120,151)(H,121,152)(H,123,153)(H,124,140)(H,125,141)(H,126,149)(H,127,150)(H,128,155)(H,129,154)(H,130,159)(H,131,158)(H,132,156)(H,133,157)(H,162,163)(H4,104,105,115)(H4,106,107,116)(H4,108,109,117)(H4,110,111,118)(H4,112,113,119)/t46-,47-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,65-,66?,72-,77+,101-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)CCCN1C(=O)CC(SC[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)C(=O)O)C1=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)COC(=O)CCCN1C(=O)CC(SCC(NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(Cc2cnc[nH]2)NC(=O)C(CCCNC(=N)N)NC(=O)C2CCCN2C(=O)C(CO)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(N)CO)C(=O)O)C1=O)CC3OC1CC(N)C(O)C(C)O1	KCFIDOXXAOEDMW-QBNFQMRPSA-N	.							
PDC_01617	GKRKKKGKLGKKRPRSRC - Doxorubicin conjugate	43	89	"InChI=1S/C116H198N38O30S/c1-61(2)51-77(151-101(169)69(29-8-15-42-120)142-85(158)56-138-97(165)66(26-5-12-39-117)143-102(170)70(30-9-16-43-121)145-103(171)71(31-10-17-44-122)146-104(172)73(33-20-46-134-112(126)127)147-99(167)67(27-6-13-40-118)140-84(157)55-124)98(166)139-57-86(159)141-68(28-7-14-41-119)100(168)144-72(32-11-18-45-123)105(173)150-76(36-23-49-137-115(132)133)110(178)154-50-24-37-80(154)109(177)149-75(35-22-48-136-114(130)131)106(174)152-78(58-155)108(176)148-74(34-21-47-135-113(128)129)107(175)153-79(111(179)180)59-185-60-83(156)116(181)53-64-89(82(54-116)184-87-52-65(125)92(160)62(3)183-87)96(164)91-90(94(64)162)93(161)63-25-19-38-81(182-4)88(63)95(91)163/h19,25,38,61-62,65-80,82,87,92,155,160,162,164,181H,5-18,20-24,26-37,39-60,117-125H2,1-4H3,(H,138,165)(H,139,166)(H,140,157)(H,141,159)(H,142,158)(H,143,170)(H,144,168)(H,145,171)(H,146,172)(H,147,167)(H,148,176)(H,149,177)(H,150,173)(H,151,169)(H,152,174)(H,153,175)(H,179,180)(H4,126,127,134)(H4,128,129,135)(H4,130,131,136)(H4,132,133,137)/t62-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,82-,87-,92+,116-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)CN)C(=O)O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CSCC(NC(=O)C(CCCNC(=N)N)NC(=O)C(CO)NC(=O)C(CCCNC(=N)N)NC(=O)C1CCCN1C(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)CN)C(=O)O)CC3OC1CC(N)C(O)C(C)O1	LFFYUZOZWZOSAX-FYXOGQLVSA-N	.							
PDC_01618	SRRARRSPRHLGSGC - Doxorubicin conjugate 2	37	63	"InChI=1S/C93H145N33O29S/c1-41(2)27-54(77(140)112-33-63(131)116-56(36-128)78(141)113-34-64(132)117-58(87(150)151)38-156-39-62(130)93(152)30-46-67(61(31-93)155-65-29-47(94)70(133)43(4)154-65)74(137)69-68(72(46)135)71(134)45-13-6-20-60(153-5)66(45)73(69)136)123-84(147)55(28-44-32-106-40-114-44)124-82(145)53(18-11-25-111-92(104)105)122-85(148)59-19-12-26-126(59)86(149)57(37-129)125-83(146)52(17-10-24-110-91(102)103)121-80(143)50(15-8-22-108-89(98)99)118-75(138)42(3)115-79(142)49(14-7-21-107-88(96)97)120-81(144)51(16-9-23-109-90(100)101)119-76(139)48(95)35-127/h6,13,20,32,40-43,47-59,61,65,70,127-129,133,135,137,152H,7-12,14-19,21-31,33-39,94-95H2,1-5H3,(H,106,114)(H,112,140)(H,113,141)(H,115,142)(H,116,131)(H,117,132)(H,118,138)(H,119,139)(H,120,144)(H,121,143)(H,122,148)(H,123,147)(H,124,145)(H,125,146)(H,150,151)(H4,96,97,107)(H4,98,99,108)(H4,100,101,109)(H4,102,103,110)(H4,104,105,111)/t42-,43-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,61-,65-,70+,93-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CSC[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)C(=O)O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CSCC(NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CCCNC(=N)N)NC(=O)C1CCCN1C(=O)C(CO)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(N)CO)C(=O)O)CC3OC1CC(N)C(O)C(C)O1	MFISCLXENJDJRW-IIQDDLDLSA-N	.							
PDC_01619	SRRARRSPRHLGSGC - Doxorubicin conjugate 3	40	68	"InChI=1S/C101H154N34O33S/c1-45(2)30-58(84(152)119-37-69(142)124-60(40-137)85(153)120-38-70(143)125-62(95(163)164)43-169-66-33-71(144)135(94(66)162)29-13-22-68(141)123-57-32-72(167-47(4)77(57)145)168-65-35-101(165,67(140)42-139)34-50-74(65)81(149)76-75(79(50)147)78(146)49-14-6-21-64(166-5)73(49)80(76)148)131-91(159)59(31-48-36-113-44-121-48)132-89(157)56(19-11-27-118-100(111)112)130-92(160)63-20-12-28-134(63)93(161)61(41-138)133-90(158)55(18-10-26-117-99(109)110)129-87(155)53(16-8-24-115-97(105)106)126-82(150)46(3)122-86(154)52(15-7-23-114-96(103)104)128-88(156)54(17-9-25-116-98(107)108)127-83(151)51(102)39-136/h6,14,21,36,44-47,51-63,65-66,72,77,136-139,145,147,149,165H,7-13,15-20,22-35,37-43,102H2,1-5H3,(H,113,121)(H,119,152)(H,120,153)(H,122,154)(H,123,141)(H,124,142)(H,125,143)(H,126,150)(H,127,151)(H,128,156)(H,129,155)(H,130,160)(H,131,159)(H,132,157)(H,133,158)(H,163,164)(H4,103,104,114)(H4,105,106,115)(H4,107,108,116)(H4,109,110,117)(H4,111,112,118)/t46-,47-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,65-,66?,72-,77+,101-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)CCCN2C(=O)CC(SC[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)C(=O)O)C2=O)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)CCCN2C(=O)CC(SCC(NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(Cc3cnc[nH]3)NC(=O)C(CCCNC(=N)N)NC(=O)C3CCCN3C(=O)C(CO)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(N)CO)C(=O)O)C2=O)C(O)C(C)O1	LZMOCCRLILVYLE-QBNFQMRPSA-N	.							
PDC_01620	CVKRGLKLRHVRPRVTRMDV - Doxorubicin conjugate	47	95	"InChI=1S/C138H223N41O38S2/c1-64(2)51-85(161-95(184)60-158-114(194)76(32-22-43-153-133(142)143)162-115(195)78(31-18-20-42-140)167-126(206)103(66(5)6)173-113(193)75(141)62-219-92-56-96(185)179(131(92)211)49-28-39-94(183)160-84-55-98(216-71(14)108(84)188)217-91-58-138(214,93(182)61-180)57-74-100(91)112(192)102-101(110(74)190)109(189)73-29-21-38-90(215-15)99(73)111(102)191)121(201)163-77(30-17-19-41-139)117(197)170-86(52-65(3)4)122(202)164-79(33-23-44-154-134(144)145)118(198)171-87(53-72-59-152-63-159-72)123(203)175-104(67(7)8)127(207)169-83(36-26-47-157-137(150)151)130(210)178-48-27-37-89(178)125(205)166-81(35-25-46-156-136(148)149)120(200)174-105(68(9)10)128(208)177-107(70(13)181)129(209)168-80(34-24-45-155-135(146)147)116(196)165-82(40-50-218-16)119(199)172-88(54-97(186)187)124(204)176-106(69(11)12)132(212)213/h21,29,38,59,63-71,75-89,91-92,98,103-108,180-181,188,190,192,214H,17-20,22-28,30-37,39-58,60-62,139-141H2,1-16H3,(H,152,159)(H,158,194)(H,160,183)(H,161,184)(H,162,195)(H,163,201)(H,164,202)(H,165,196)(H,166,205)(H,167,206)(H,168,209)(H,169,207)(H,170,197)(H,171,198)(H,172,199)(H,173,193)(H,174,200)(H,175,203)(H,176,204)(H,177,208)(H,186,187)(H,212,213)(H4,142,143,153)(H4,144,145,154)(H4,146,147,155)(H4,148,149,156)(H4,150,151,157)/t70-,71+,75+,76+,77+,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,91+,92?,98+,103+,104+,105+,106+,107+,108-,138+/m1/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)CCCN2C(=O)CC(SC[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O)C(C)C)C(C)C)C(C)C)C2=O)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)CCCN2C(=O)CC(SCC(N)C(=O)NC(C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc3cnc[nH]3)C(=O)NC(C(=O)NC(CCCNC(=N)N)C(=O)N3CCCC3C(=O)NC(CCCNC(=N)N)C(=O)NC(C(=O)NC(C(=O)NC(CCCNC(=N)N)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(C(=O)O)C(C)C)C(C)O)C(C)C)C(C)C)C(C)C)C2=O)C(O)C(C)O1	QILWAIAPZVEKOH-HLFICZJESA-N	.							
PDC_01621	"XRGDF - 2H-Pyrido[3,4-b]indole-2,3-dicarboxylic acid, 1,3,4,9-tetrahydro-1-(4-hydroxy-3,5-dimethoxyphenyl)-, 2-(1,1-dimethylethyl) ester, (3S) conjugate"	11	20	"InChI=1S/C41H49N9O11/c1-60-30-16-22(17-31(61-2)36(30)54)34-35-24(23-11-6-7-12-25(23)47-35)18-27(48-34)38(56)49-26(13-8-14-44-41(42)43)37(55)45-20-32(51)46-28(19-33(52)53)39(57)50-29(40(58)59)15-21-9-4-3-5-10-21/h3-7,9-12,16-17,26-29,34,47-48,54H,8,13-15,18-20H2,1-2H3,(H,45,55)(H,46,51)(H,49,56)(H,50,57)(H,52,53)(H,58,59)(H4,42,43,44)/t26-,27-,28-,29-,34?/m0/s1"	COc1cc(C2N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)Cc3c2[nH]c2ccccc32)cc(OC)c1O	COc1cc(C2NC(C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(Cc3ccccc3)C(=O)O)Cc3c2[nH]c2ccccc32)cc(OC)c1O	PPZOCHQCINOYHO-QCYZWORMSA-N	.							
PDC_01622	"XRGDS - 2H-Pyrido[3,4-b]indole-2,3-dicarboxylic acid, 1,3,4,9-tetrahydro-1-(4-hydroxy-3,5-dimethoxyphenyl)-, 2-(1,1-dimethylethyl) ester, (3S) conjugate 2"	11	19	"InChI=1S/C37H49N9O11/c1-17(2)29(36(54)55)46-35(53)24(15-28(48)49)42-27(47)16-41-33(51)22(10-7-11-40-37(38)39)45-34(52)23-14-20-19-8-5-6-9-21(19)43-31(20)30(44-23)18-12-25(56-3)32(50)26(13-18)57-4/h5-6,8-9,12-13,17,22-24,29-30,43-44,50H,7,10-11,14-16H2,1-4H3,(H,41,51)(H,42,47)(H,45,52)(H,46,53)(H,48,49)(H,54,55)(H4,38,39,40)/t22-,23-,24-,29-,30?/m0/s1"	COc1cc(C2N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)O)C(C)C)Cc3c2[nH]c2ccccc32)cc(OC)c1O	COc1cc(C2NC(C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(C(=O)O)C(C)C)Cc3c2[nH]c2ccccc32)cc(OC)c1O	VYHYWNDKFGEJDL-MPZZWFEESA-N	.							
PDC_01623	"XRGDS - 2H-Pyrido[3,4-b]indole-2,3-dicarboxylic acid, 1,3,4,9-tetrahydro-1-(4-hydroxy-3,5-dimethoxyphenyl)-, 2-(1,1-dimethylethyl) ester, (3S) conjugate 1"	12	19	"InChI=1S/C35H45N9O12/c1-55-24-10-16(11-25(56-2)30(24)49)28-29-18(17-6-3-4-7-19(17)41-29)12-21(42-28)32(51)43-20(8-5-9-38-35(36)37)31(50)39-14-26(46)40-22(13-27(47)48)33(52)44-23(15-45)34(53)54/h3-4,6-7,10-11,20-23,28,41-42,45,49H,5,8-9,12-15H2,1-2H3,(H,39,50)(H,40,46)(H,43,51)(H,44,52)(H,47,48)(H,53,54)(H4,36,37,38)/t20-,21-,22-,23-,28?/m0/s1"	COc1cc(C2N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O)Cc3c2[nH]c2ccccc32)cc(OC)c1O	COc1cc(C2NC(C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)O)Cc3c2[nH]c2ccccc32)cc(OC)c1O	IRVAPTLPKURNQT-RUYZJNMWSA-N	.							
PDC_01624	"XXGDF - 2H-Pyrido[3,4-b]indole-2,3-dicarboxylic acid, 1,3,4,9-tetrahydro-1-(4-hydroxy-3,5-dimethoxyphenyl)-, 2-(1,1-dimethylethyl) ester, (3S) conjugate"	16	25	"InChI=1S/C66H79N9O15S/c1-40-28-30-45(31-29-40)91(84,85)74-64(67)68-32-18-27-49(72-62(81)52-36-47-46-25-16-17-26-48(46)71-57(47)58(75(52)65(83)90-66(2,3)4)43-34-53(86-5)59(78)54(35-43)87-6)60(79)69-38-55(76)70-50(37-56(77)89-44-23-14-9-15-24-44)61(80)73-51(33-41-19-10-7-11-20-41)63(82)88-39-42-21-12-8-13-22-42/h7-8,10-13,16-17,19-22,25-26,28-31,34-35,44,49-52,58,71,78H,9,14-15,18,23-24,27,32-33,36-39H2,1-6H3,(H,69,79)(H,70,76)(H,72,81)(H,73,80)(H3,67,68,74)/t49-,50-,51-,52-,58?/m0/s1"	COc1cc(C2c3[nH]c4ccccc4c3C[C@@H](C(=O)N[C@@H](CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)C(=O)NCC(=O)N[C@@H](CC(=O)OC3CCCCC3)C(=O)N[C@@H](Cc3ccccc3)C(=O)OCc3ccccc3)N2C(=O)OC(C)(C)C)cc(OC)c1O	COc1cc(C2c3[nH]c4ccccc4c3CC(C(=O)NC(CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)C(=O)NCC(=O)NC(CC(=O)OC3CCCCC3)C(=O)NC(Cc3ccccc3)C(=O)OCc3ccccc3)N2C(=O)OC(C)(C)C)cc(OC)c1O	NRKLRTAMTOJESA-LFIZECNZSA-N	.							
PDC_01625	"XXGDV - 2H-Pyrido[3,4-b]indole-2,3-dicarboxylic acid, 1,3,4,9-tetrahydro-1-(4-hydroxy-3,5-dimethoxyphenyl)-, 2-(1,1-dimethylethyl) ester, (3S) conjugate"	16	24	"InChI=1S/C62H79N9O15S/c1-36(2)52(59(78)84-35-38-18-11-9-12-19-38)69-57(76)46(33-51(73)85-40-20-13-10-14-21-40)66-50(72)34-65-56(75)45(24-17-29-64-60(63)70-87(80,81)41-27-25-37(3)26-28-41)68-58(77)47-32-43-42-22-15-16-23-44(42)67-53(43)54(71(47)61(79)86-62(4,5)6)39-30-48(82-7)55(74)49(31-39)83-8/h9,11-12,15-16,18-19,22-23,25-28,30-31,36,40,45-47,52,54,67,74H,10,13-14,17,20-21,24,29,32-35H2,1-8H3,(H,65,75)(H,66,72)(H,68,77)(H,69,76)(H3,63,64,70)/t45-,46-,47-,52-,54?/m0/s1"	COc1cc(C2c3[nH]c4ccccc4c3C[C@@H](C(=O)N[C@@H](CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)C(=O)NCC(=O)N[C@@H](CC(=O)OC3CCCCC3)C(=O)N[C@H](C(=O)OCc3ccccc3)C(C)C)N2C(=O)OC(C)(C)C)cc(OC)c1O	COc1cc(C2c3[nH]c4ccccc4c3CC(C(=O)NC(CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)C(=O)NCC(=O)NC(CC(=O)OC3CCCCC3)C(=O)NC(C(=O)OCc3ccccc3)C(C)C)N2C(=O)OC(C)(C)C)cc(OC)c1O	YUCCWVLBHMJJKG-VYQNDKKUSA-N	.							
PDC_01626	"XXGDS - 2H-Pyrido[3,4-b]indole-2,3-dicarboxylic acid, 1,3,4,9-tetrahydro-1-(4-hydroxy-3,5-dimethoxyphenyl)-, 2-(1,1-dimethylethyl) ester, (3S) conjugate"	17	24	"InChI=1S/C60H75N9O16S/c1-35-23-25-39(26-24-35)86(79,80)68-58(61)62-27-15-22-43(54(74)63-32-49(71)64-44(31-50(72)84-38-18-11-8-12-19-38)55(75)67-45(33-70)57(77)83-34-36-16-9-7-10-17-36)66-56(76)46-30-41-40-20-13-14-21-42(40)65-51(41)52(69(46)59(78)85-60(2,3)4)37-28-47(81-5)53(73)48(29-37)82-6/h7,9-10,13-14,16-17,20-21,23-26,28-29,38,43-46,52,65,70,73H,8,11-12,15,18-19,22,27,30-34H2,1-6H3,(H,63,74)(H,64,71)(H,66,76)(H,67,75)(H3,61,62,68)/t43-,44-,45-,46-,52?/m0/s1"	COc1cc(C2c3[nH]c4ccccc4c3C[C@@H](C(=O)N[C@@H](CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)C(=O)NCC(=O)N[C@@H](CC(=O)OC3CCCCC3)C(=O)N[C@@H](CO)C(=O)OCc3ccccc3)N2C(=O)OC(C)(C)C)cc(OC)c1O	COc1cc(C2c3[nH]c4ccccc4c3CC(C(=O)NC(CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)C(=O)NCC(=O)NC(CC(=O)OC3CCCCC3)C(=O)NC(CO)C(=O)OCc3ccccc3)N2C(=O)OC(C)(C)C)cc(OC)c1O	JTQKYSDUBMNCDJ-AHULXQNFSA-N	.							
PDC_01627	Alanyl-oligovaline 1 - Phorphirine derivative conjugate 1	12	29	"InChI=1S/C98H119N13O10/c1-57(2)84(106(14)93(115)86(59(5)6)108(16)95(117)88(61(9)10)110(18)97(119)89(62(11)12)111(19)96(118)87(60(7)8)109(17)94(116)85(58(3)4)107(15)92(114)63(13)99-98(120)121-56-64-32-24-20-25-33-64)91(113)101-71-46-44-70(45-47-71)100-90(112)69-42-40-68(41-43-69)83-78-54-52-76(104-78)81(66-36-28-22-29-37-66)74-50-48-72(102-74)80(65-34-26-21-27-35-65)73-49-51-75(103-73)82(67-38-30-23-31-39-67)77-53-55-79(83)105-77/h20-43,48-55,57-63,70-71,84-89,104-105H,44-47,56H2,1-19H3,(H,99,120)(H,100,112)(H,101,113)/t63-,70-,71-,84-,85-,86-,87-,88-,89-/m0/s1"	CC(C)[C@@H](C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N[C@H]1CC[C@H](NC(=O)c2ccc(-c3c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)cc2)CC1)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)N(C)C(=O)[C@H](C)NC(=O)OCc1ccccc1	CC(NC(=O)OCc1ccccc1)C(=O)N(C)C(C(=O)N(C)C(C(=O)N(C)C(C(=O)N(C)C(C(=O)N(C)C(C(=O)N(C)C(C(=O)NC1CCC(NC(=O)c2ccc(-c3c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)cc2)CC1)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C	IDXCHSHCTBQBTC-WKQMFREYSA-N	.							
PDC_01628	Alanyl-oligovaline 2 - Phorphirine derivative conjugate 1	11	26	"InChI=1S/C92H108N12O9/c1-54(2)80(100(12)88(108)82(56(5)6)102(14)90(110)84(58(9)10)104(16)91(111)83(57(7)8)103(15)89(109)81(55(3)4)101(13)87(107)59(11)93-92(112)113-53-60-29-21-17-22-30-60)86(106)95-67-43-41-66(42-44-67)94-85(105)65-39-37-64(38-40-65)79-74-51-49-72(98-74)77(62-33-25-19-26-34-62)70-47-45-68(96-70)76(61-31-23-18-24-32-61)69-46-48-71(97-69)78(63-35-27-20-28-36-63)73-50-52-75(79)99-73/h17-40,45-52,54-59,66-67,80-84,98-99H,41-44,53H2,1-16H3,(H,93,112)(H,94,105)(H,95,106)/t59-,66-,67-,80-,81-,82-,83-,84-/m0/s1"	CC(C)[C@@H](C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N[C@H]1CC[C@H](NC(=O)c2ccc(-c3c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)cc2)CC1)C(C)C)C(C)C)C(C)C)C(C)C)N(C)C(=O)[C@H](C)NC(=O)OCc1ccccc1	CC(NC(=O)OCc1ccccc1)C(=O)N(C)C(C(=O)N(C)C(C(=O)N(C)C(C(=O)N(C)C(C(=O)N(C)C(C(=O)NC1CCC(NC(=O)c2ccc(-c3c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)cc2)CC1)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C	DVJVJDHDVGJWNF-XWVHDDMLSA-N	.							
PDC_01629	Alanyl-oligovaline 3 - Phorphirine derivative conjugate 1	9	20	"InChI=1S/C80H86N10O7/c1-48(2)72(88(8)78(94)74(50(5)6)90(10)79(95)73(49(3)4)89(9)77(93)51(7)81-80(96)97-47-52-23-15-11-16-24-52)76(92)83-59-37-35-58(36-38-59)82-75(91)57-33-31-56(32-34-57)71-66-45-43-64(86-66)69(54-27-19-13-20-28-54)62-41-39-60(84-62)68(53-25-17-12-18-26-53)61-40-42-63(85-61)70(55-29-21-14-22-30-55)65-44-46-67(71)87-65/h11-34,39-46,48-51,58-59,72-74,86-87H,35-38,47H2,1-10H3,(H,81,96)(H,82,91)(H,83,92)/t51-,58-,59-,72-,73-,74-/m0/s1"	CC(C)[C@@H](C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N[C@H]1CC[C@H](NC(=O)c2ccc(-c3c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)cc2)CC1)C(C)C)C(C)C)N(C)C(=O)[C@H](C)NC(=O)OCc1ccccc1	CC(NC(=O)OCc1ccccc1)C(=O)N(C)C(C(=O)N(C)C(C(=O)N(C)C(C(=O)NC1CCC(NC(=O)c2ccc(-c3c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)cc2)CC1)C(C)C)C(C)C)C(C)C	PBIYERSCYIAHEO-POTAXZBVSA-N	.							
PDC_01630	Alanyl-oligovaline 4 - Phorphirine derivative conjugate 1	8	17	"InChI=1S/C74H75N9O6/c1-45(2)68(82(6)73(87)69(46(3)4)83(7)72(86)47(5)75-74(88)89-44-48-20-12-8-13-21-48)71(85)77-55-34-32-54(33-35-55)76-70(84)53-30-28-52(29-31-53)67-62-42-40-60(80-62)65(50-24-16-10-17-25-50)58-38-36-56(78-58)64(49-22-14-9-15-23-49)57-37-39-59(79-57)66(51-26-18-11-19-27-51)61-41-43-63(67)81-61/h8-31,36-43,45-47,54-55,68-69,80-81H,32-35,44H2,1-7H3,(H,75,88)(H,76,84)(H,77,85)/t47-,54-,55-,68-,69-/m0/s1"	CC(C)[C@@H](C(=O)N(C)[C@H](C(=O)N[C@H]1CC[C@H](NC(=O)c2ccc(-c3c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)cc2)CC1)C(C)C)N(C)C(=O)[C@H](C)NC(=O)OCc1ccccc1	CC(NC(=O)OCc1ccccc1)C(=O)N(C)C(C(=O)N(C)C(C(=O)NC1CCC(NC(=O)c2ccc(-c3c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)cc2)CC1)C(C)C)C(C)C	KKYQKUGYLOKOOX-DURJXMCCSA-N	.							
PDC_01631	Alanyl-oligovaline 5 - Phorphirine derivative conjugate 1	7	14	"InChI=1S/C68H64N8O5/c1-42(2)64(76(4)67(79)43(3)69-68(80)81-41-44-17-9-5-10-18-44)66(78)71-51-31-29-50(30-32-51)70-65(77)49-27-25-48(26-28-49)63-58-39-37-56(74-58)61(46-21-13-7-14-22-46)54-35-33-52(72-54)60(45-19-11-6-12-20-45)53-34-36-55(73-53)62(47-23-15-8-16-24-47)57-38-40-59(63)75-57/h5-28,33-40,42-43,50-51,64,74-75H,29-32,41H2,1-4H3,(H,69,80)(H,70,77)(H,71,78)/t43-,50-,51-,64-/m0/s1"	CC(C)[C@@H](C(=O)N[C@H]1CC[C@H](NC(=O)c2ccc(-c3c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)cc2)CC1)N(C)C(=O)[C@H](C)NC(=O)OCc1ccccc1	CC(NC(=O)OCc1ccccc1)C(=O)N(C)C(C(=O)NC1CCC(NC(=O)c2ccc(-c3c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)cc2)CC1)C(C)C	KXFYVFUSGRDZMG-HMFDKMINSA-N	.							
PDC_01632	Alanyl-oligovaline 5 - Phorphirine derivative conjugate 2	6	10	"InChI=1S/C58H54N6O4/c1-35(2)54(57(67)68-58(4,5)6)64(7)56(66)36(3)59-55(65)41-25-23-40(24-26-41)53-48-33-31-46(62-48)51(38-19-13-9-14-20-38)44-29-27-42(60-44)50(37-17-11-8-12-18-37)43-28-30-45(61-43)52(39-21-15-10-16-22-39)47-32-34-49(53)63-47/h8-36,54,62-63H,1-7H3,(H,59,65)/t36-,54-/m0/s1"	CC(C)[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)[C@H](C)NC(=O)c1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1	CC(NC(=O)c1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)N(C)C(C(=O)OC(C)(C)C)C(C)C	QBDVBTYDZRDPPJ-ZFFLXVBBSA-N	.							
PDC_01633	Alanyl-oligovaline 1 - Phorphirine derivative conjugate 2	13	32	"InChI=1S/C135H141N17O9/c1-78(2)121(129(155)138-96-60-58-95(59-61-96)137-128(154)94-56-52-92(53-57-94)120-111-76-72-107(145-111)117(89-46-34-24-35-47-89)103-68-64-99(141-103)114(86-40-28-21-29-41-86)100-65-69-104(142-100)118(90-48-36-25-37-49-90)108-73-77-112(120)146-108)147(14)131(157)123(80(5)6)149(16)133(159)125(82(9)10)151(18)135(161)126(83(11)12)152(19)134(160)124(81(7)8)150(17)132(158)122(79(3)4)148(15)130(156)84(13)136-127(153)93-54-50-91(51-55-93)119-109-74-70-105(143-109)115(87-42-30-22-31-43-87)101-66-62-97(139-101)113(85-38-26-20-27-39-85)98-63-67-102(140-98)116(88-44-32-23-33-45-88)106-71-75-110(119)144-106/h20-57,62-84,95-96,121-126,143-146H,58-61H2,1-19H3,(H,136,153)(H,137,154)(H,138,155)/t84-,95-,96-,121-,122-,123-,124-,125-,126-/m0/s1"	CC(C)[C@@H](C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N[C@H]1CC[C@H](NC(=O)c2ccc(-c3c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)cc2)CC1)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)N(C)C(=O)[C@H](C)NC(=O)c1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1	CC(NC(=O)c1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)N(C)C(C(=O)N(C)C(C(=O)N(C)C(C(=O)N(C)C(C(=O)N(C)C(C(=O)N(C)C(C(=O)NC1CCC(NC(=O)c2ccc(-c3c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)cc2)CC1)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C	VHHRQXXJPWJUAA-NOXJZLJISA-N	.							
PDC_01634	Alanyl-oligovaline 2 - Phorphirine derivative conjugate 2	12	29	"InChI=1S/C129H130N16O8/c1-75(2)117(124(148)132-92-57-55-91(56-58-92)131-123(147)90-53-49-88(50-54-90)116-107-73-69-103(139-107)113(85-43-31-21-32-44-85)99-65-61-95(135-99)110(82-37-25-18-26-38-82)96-62-66-100(136-96)114(86-45-33-22-34-46-86)104-70-74-108(116)140-104)141(12)126(150)119(77(5)6)143(14)128(152)121(79(9)10)145(16)129(153)120(78(7)8)144(15)127(151)118(76(3)4)142(13)125(149)80(11)130-122(146)89-51-47-87(48-52-89)115-105-71-67-101(137-105)111(83-39-27-19-28-40-83)97-63-59-93(133-97)109(81-35-23-17-24-36-81)94-60-64-98(134-94)112(84-41-29-20-30-42-84)102-68-72-106(115)138-102/h17-54,59-80,91-92,117-121,137-140H,55-58H2,1-16H3,(H,130,146)(H,131,147)(H,132,148)/t80-,91-,92-,117-,118-,119-,120-,121-/m0/s1"	CC(C)[C@@H](C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N[C@H]1CC[C@H](NC(=O)c2ccc(-c3c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)cc2)CC1)C(C)C)C(C)C)C(C)C)C(C)C)N(C)C(=O)[C@H](C)NC(=O)c1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1	CC(NC(=O)c1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)N(C)C(C(=O)N(C)C(C(=O)N(C)C(C(=O)N(C)C(C(=O)N(C)C(C(=O)NC1CCC(NC(=O)c2ccc(-c3c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)cc2)CC1)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C	GQTMBBFIWRYZSL-GFRJVWPZSA-N	.							
PDC_01635	Alanyl-oligovaline 3 - Phorphirine derivative conjugate 2	10	23	"InChI=1S/C117H108N14O6/c1-69(2)109(114(134)120-84-51-49-83(50-52-84)119-113(133)82-47-43-80(44-48-82)108-99-67-63-95(127-99)105(77-37-25-15-26-38-77)91-59-55-87(123-91)102(74-31-19-12-20-32-74)88-56-60-92(124-88)106(78-39-27-16-28-40-78)96-64-68-100(108)128-96)129(8)116(136)111(71(5)6)131(10)117(137)110(70(3)4)130(9)115(135)72(7)118-112(132)81-45-41-79(42-46-81)107-97-65-61-93(125-97)103(75-33-21-13-22-34-75)89-57-53-85(121-89)101(73-29-17-11-18-30-73)86-54-58-90(122-86)104(76-35-23-14-24-36-76)94-62-66-98(107)126-94/h11-48,53-72,83-84,109-111,125-128H,49-52H2,1-10H3,(H,118,132)(H,119,133)(H,120,134)/t72-,83-,84-,109-,110-,111-/m0/s1"	CC(C)[C@@H](C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N[C@H]1CC[C@H](NC(=O)c2ccc(-c3c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)cc2)CC1)C(C)C)C(C)C)N(C)C(=O)[C@H](C)NC(=O)c1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1	CC(NC(=O)c1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)N(C)C(C(=O)N(C)C(C(=O)N(C)C(C(=O)NC1CCC(NC(=O)c2ccc(-c3c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)cc2)CC1)C(C)C)C(C)C)C(C)C	RWJNROJNHAFIHS-APKBTRKGSA-N	.							
PDC_01636	Alanyl-oligovaline 4 - Phorphirine derivative conjugate 2	9	20	"InChI=1S/C111H97N13O5/c1-66(2)105(109(127)114-80-48-46-79(47-49-80)113-108(126)78-44-40-76(41-45-78)104-95-64-60-91(121-95)101(73-34-22-12-23-35-73)87-56-52-83(117-87)98(70-28-16-9-17-29-70)84-53-57-88(118-84)102(74-36-24-13-25-37-74)92-61-65-96(104)122-92)123(6)111(129)106(67(3)4)124(7)110(128)68(5)112-107(125)77-42-38-75(39-43-77)103-93-62-58-89(119-93)99(71-30-18-10-19-31-71)85-54-50-81(115-85)97(69-26-14-8-15-27-69)82-51-55-86(116-82)100(72-32-20-11-21-33-72)90-59-63-94(103)120-90/h8-45,50-68,79-80,105-106,119-122H,46-49H2,1-7H3,(H,112,125)(H,113,126)(H,114,127)/t68-,79-,80-,105-,106-/m0/s1"	CC(C)[C@@H](C(=O)N(C)[C@H](C(=O)N[C@H]1CC[C@H](NC(=O)c2ccc(-c3c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)cc2)CC1)C(C)C)N(C)C(=O)[C@H](C)NC(=O)c1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1	CC(NC(=O)c1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)N(C)C(C(=O)N(C)C(C(=O)NC1CCC(NC(=O)c2ccc(-c3c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)cc2)CC1)C(C)C)C(C)C	VPGHCCPTVROVJD-LUJXGWIASA-N	.							
PDC_01637	Alanyl-oligovaline 6 - Phorphirine derivative conjugate	14	35	"InChI=1S/C141H152N18O10/c1-81(2)125(134(162)144-100-63-61-99(62-64-100)143-133(161)98-59-55-96(56-60-98)124-115-79-75-111(151-115)121(93-49-37-27-38-50-93)107-71-67-103(147-107)118(90-43-31-24-32-44-90)104-68-72-108(148-104)122(94-51-39-28-40-52-94)112-76-80-116(124)152-112)153(16)136(164)127(83(5)6)155(18)138(166)129(85(9)10)157(20)140(168)131(87(13)14)159(22)141(169)130(86(11)12)158(21)139(167)128(84(7)8)156(19)137(165)126(82(3)4)154(17)135(163)88(15)142-132(160)97-57-53-95(54-58-97)123-113-77-73-109(149-113)119(91-45-33-25-34-46-91)105-69-65-101(145-105)117(89-41-29-23-30-42-89)102-66-70-106(146-102)120(92-47-35-26-36-48-92)110-74-78-114(123)150-110/h23-60,65-88,99-100,125-131,149-152H,61-64H2,1-22H3,(H,142,160)(H,143,161)(H,144,162)/t88-,99-,100-,125-,126-,127-,128-,129-,130-,131-/m0/s1"	CC(C)[C@@H](C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N[C@H]1CC[C@H](NC(=O)c2ccc(-c3c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)cc2)CC1)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)N(C)C(=O)[C@H](C)NC(=O)c1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1	CC(NC(=O)c1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)N(C)C(C(=O)N(C)C(C(=O)N(C)C(C(=O)N(C)C(C(=O)N(C)C(C(=O)N(C)C(C(=O)N(C)C(C(=O)NC1CCC(NC(=O)c2ccc(-c3c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)cc2)CC1)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C	HGTMNBQLEPLQTC-LTNVAMAYSA-N	.							
PDC_01638	Alanyl-oligovaline 7 - Phorphirine derivative conjugate	11	26	"InChI=1S/C123H119N15O7/c1-72(2)113(119(141)126-88-54-52-87(53-55-88)125-118(140)86-50-46-84(47-51-86)112-103-70-66-99(133-103)109(81-40-28-18-29-41-81)95-62-58-91(129-95)106(78-34-22-15-23-35-78)92-59-63-96(130-92)110(82-42-30-19-31-43-82)100-67-71-104(112)134-100)135(10)121(143)115(74(5)6)137(12)123(145)116(75(7)8)138(13)122(144)114(73(3)4)136(11)120(142)76(9)124-117(139)85-48-44-83(45-49-85)111-101-68-64-97(131-101)107(79-36-24-16-25-37-79)93-60-56-89(127-93)105(77-32-20-14-21-33-77)90-57-61-94(128-90)108(80-38-26-17-27-39-80)98-65-69-102(111)132-98/h14-51,56-76,87-88,113-116,131-134H,52-55H2,1-13H3,(H,124,139)(H,125,140)(H,126,141)/t76-,87-,88-,113-,114-,115-,116-/m0/s1"	CC(C)[C@@H](C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N[C@H]1CC[C@H](NC(=O)c2ccc(-c3c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)cc2)CC1)C(C)C)C(C)C)C(C)C)N(C)C(=O)[C@H](C)NC(=O)c1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1	CC(NC(=O)c1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)N(C)C(C(=O)N(C)C(C(=O)N(C)C(C(=O)N(C)C(C(=O)NC1CCC(NC(=O)c2ccc(-c3c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)cc2)CC1)C(C)C)C(C)C)C(C)C)C(C)C	RDHTUBANUNBRNR-AHOWKRAWSA-N	.							
PDC_01639	Alanyl-oligovaline 5 - Phorphirine derivative conjugate 3	8	17	"InChI=1S/C105H86N12O4/c1-63(2)101(117(4)105(121)64(3)106-102(118)73-39-35-71(36-40-73)99-89-59-55-85(113-89)95(67-27-15-7-16-28-67)81-51-47-77(109-81)93(65-23-11-5-12-24-65)78-48-52-82(110-78)96(68-29-17-8-18-30-68)86-56-60-90(99)114-86)104(120)108-76-45-43-75(44-46-76)107-103(119)74-41-37-72(38-42-74)100-91-61-57-87(115-91)97(69-31-19-9-20-32-69)83-53-49-79(111-83)94(66-25-13-6-14-26-66)80-50-54-84(112-80)98(70-33-21-10-22-34-70)88-58-62-92(100)116-88/h5-42,47-64,75-76,101,113-116H,43-46H2,1-4H3,(H,106,118)(H,107,119)(H,108,120)/t64-,75-,76-,101-/m0/s1"	CC(C)[C@@H](C(=O)N[C@H]1CC[C@H](NC(=O)c2ccc(-c3c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)cc2)CC1)N(C)C(=O)[C@H](C)NC(=O)c1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1	CC(NC(=O)c1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)N(C)C(C(=O)NC1CCC(NC(=O)c2ccc(-c3c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)cc2)CC1)C(C)C	ZGPRBWLQOVPYHG-DCFRIHOPSA-N	.							
PDC_01640	FQGII - 9-Aminoacridine conjugate 1	10	29	"InChI=1S/C77H81N9O8/c1-5-50(3)69(74(91)79-46-45-78-71-60-39-23-25-41-63(60)81-64-42-26-24-40-61(64)71)85-75(92)70(51(4)6-2)84-68(88)48-80-72(89)65(43-44-67(87)86-77(53-29-13-8-14-30-53,54-31-15-9-16-32-54)55-33-17-10-18-34-55)82-73(90)66(47-52-27-11-7-12-28-52)83-76(93)94-49-62-58-37-21-19-35-56(58)57-36-20-22-38-59(57)62/h7-42,50-51,62,65-66,69-70H,5-6,43-49H2,1-4H3,(H,78,81)(H,79,91)(H,80,89)(H,82,90)(H,83,93)(H,84,88)(H,85,92)(H,86,87)/t50-,51-,65-,66-,69-,70-/m0/s1"	CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C(=O)NCCNc1c2ccccc2nc2ccccc12)[C@@H](C)CC	CCC(C)C(NC(=O)CNC(=O)C(CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(C(=O)NCCNc1c2ccccc2nc2ccccc12)C(C)CC	UBJMYCLPXXYKLB-XSDHHYRGSA-N	.							
PDC_01641	FQGIIX - 9-Aminoacridine conjugate	11	29	"InChI=1S/C54H76N10O9/c1-8-34(3)46(51(70)58-29-19-11-14-26-44(66)56-30-31-57-48-37-22-15-17-24-39(37)60-40-25-18-16-23-38(40)48)64-52(71)47(35(4)9-2)63-45(67)33-59-49(68)41(27-28-43(55)65)61-50(69)42(32-36-20-12-10-13-21-36)62-53(72)73-54(5,6)7/h10,12-13,15-18,20-25,34-35,41-42,46-47H,8-9,11,14,19,26-33H2,1-7H3,(H2,55,65)(H,56,66)(H,57,60)(H,58,70)(H,59,68)(H,61,69)(H,62,72)(H,63,67)(H,64,71)/t34-,35-,41-,42-,46-,47-/m0/s1"	CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)NCCCCCC(=O)NCCNc1c2ccccc2nc2ccccc12)[C@@H](C)CC	CCC(C)C(NC(=O)CNC(=O)C(CCC(N)=O)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(C(=O)NCCCCCC(=O)NCCNc1c2ccccc2nc2ccccc12)C(C)CC	DLGWNNOWFFOZCE-IKSCQUMXSA-N	.							
PDC_01642	GIIX - 9-Aminoacridine conjugate	8	20	"InChI=1S/C40H59N7O6/c1-8-26(3)34(47-38(51)35(27(4)9-2)46-33(49)25-44-39(52)53-40(5,6)7)37(50)43-22-16-10-11-21-32(48)41-23-24-42-36-28-17-12-14-19-30(28)45-31-20-15-13-18-29(31)36/h12-15,17-20,26-27,34-35H,8-11,16,21-25H2,1-7H3,(H,41,48)(H,42,45)(H,43,50)(H,44,52)(H,46,49)(H,47,51)/t26-,27-,34-,35-/m0/s1"	CC[C@H](C)[C@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)NCCCCCC(=O)NCCNc1c2ccccc2nc2ccccc12)[C@@H](C)CC	CCC(C)C(NC(=O)CNC(=O)OC(C)(C)C)C(=O)NC(C(=O)NCCCCCC(=O)NCCNc1c2ccccc2nc2ccccc12)C(C)CC	LMAAELJZYKHNCM-AIYQPOGASA-N	.							
PDC_01643	Tripeptide 86 - 9-Aminoacridine conjugate	7	18	"InChI=1S/C38H56N6O5/c1-8-25(3)32(43-36(47)33(26(4)9-2)44-37(48)49-38(5,6)7)35(46)41-22-16-10-11-21-31(45)39-23-24-40-34-27-17-12-14-19-29(27)42-30-20-15-13-18-28(30)34/h12-15,17-20,25-26,32-33H,8-11,16,21-24H2,1-7H3,(H,39,45)(H,40,42)(H,41,46)(H,43,47)(H,44,48)/t25-,26-,32-,33-/m0/s1"	CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)NCCCCCC(=O)NCCNc1c2ccccc2nc2ccccc12)[C@@H](C)CC	CCC(C)C(NC(=O)OC(C)(C)C)C(=O)NC(C(=O)NCCCCCC(=O)NCCNc1c2ccccc2nc2ccccc12)C(C)CC	SGKRNEWFOKEMSJ-SWWUGJJYSA-N	.							
PDC_01644	FQGII - 9-Aminoacridine conjugate	10	23	"InChI=1S/C48H65N9O8/c1-8-29(3)40(45(62)51-26-25-50-42-32-19-13-15-21-34(32)53-35-22-16-14-20-33(35)42)57-46(63)41(30(4)9-2)56-39(59)28-52-43(60)36(23-24-38(49)58)54-44(61)37(27-31-17-11-10-12-18-31)55-47(64)65-48(5,6)7/h10-22,29-30,36-37,40-41H,8-9,23-28H2,1-7H3,(H2,49,58)(H,50,53)(H,51,62)(H,52,60)(H,54,61)(H,55,64)(H,56,59)(H,57,63)/t29-,30-,36-,37-,40-,41-/m0/s1"	CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)NCCNc1c2ccccc2nc2ccccc12)[C@@H](C)CC	CCC(C)C(NC(=O)CNC(=O)C(CCC(N)=O)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(C(=O)NCCNc1c2ccccc2nc2ccccc12)C(C)CC	LMARRVGZGLADAN-ZPKYTRLNSA-N	.							
PDC_01645	Tripeptide 87 - 9-Aminoacridine conjugate	7	14	"InChI=1S/C34H48N6O5/c1-8-21(3)28(40-32(43)29(22(4)9-2)39-27(41)20-37-33(44)45-34(5,6)7)31(42)36-19-18-35-30-23-14-10-12-16-25(23)38-26-17-13-11-15-24(26)30/h10-17,21-22,28-29H,8-9,18-20H2,1-7H3,(H,35,38)(H,36,42)(H,37,44)(H,39,41)(H,40,43)/t21-,22-,28-,29-/m0/s1"	CC[C@H](C)[C@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)NCCNc1c2ccccc2nc2ccccc12)[C@@H](C)CC	CCC(C)C(NC(=O)CNC(=O)OC(C)(C)C)C(=O)NC(C(=O)NCCNc1c2ccccc2nc2ccccc12)C(C)CC	IHMNFWWPJAZMHW-VXBCSTRESA-N	.							
PDC_01646	Dipeptide 37 - 9-Aminoacridine conjugate	6	12	"InChI=1S/C32H45N5O4/c1-8-20(3)26(36-30(39)27(21(4)9-2)37-31(40)41-32(5,6)7)29(38)34-19-18-33-28-22-14-10-12-16-24(22)35-25-17-13-11-15-23(25)28/h10-17,20-21,26-27H,8-9,18-19H2,1-7H3,(H,33,35)(H,34,38)(H,36,39)(H,37,40)/t20-,21-,26-,27-/m0/s1"	CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)NCCNc1c2ccccc2nc2ccccc12)[C@@H](C)CC	CCC(C)C(NC(=O)OC(C)(C)C)C(=O)NC(C(=O)NCCNc1c2ccccc2nc2ccccc12)C(C)CC	LIPSCTHZRVBYHT-YDNHHRFVSA-N	.							
PDC_01647	XYQWAVGHLM - Paclitaxel conjugate	31	52	"InChI=1S/C108H134N16O30S/c1-55(2)44-73(98(140)119-70(93(110)135)42-43-155-12)121-100(142)76(47-66-51-111-54-114-66)118-83(132)52-113-101(143)86(56(3)4)123-94(136)58(6)115-97(139)75(46-65-50-112-69-31-23-22-30-68(65)69)122-96(138)71(36-38-80(109)129)120-99(141)74(45-61-32-34-67(127)35-33-61)117-81(130)39-37-72(102(144)145)116-82(131)40-41-84(133)152-89(87(62-24-16-13-17-25-62)124-95(137)63-26-18-14-19-27-63)104(147)151-77-49-108(148)92(153-103(146)64-28-20-15-21-29-64)90-106(11,78(128)48-79-107(90,53-149-79)154-60(8)126)91(134)88(150-59(7)125)85(57(77)5)105(108,9)10/h13-35,50-51,54-56,58,70-79,86-90,92,112,127-128,148H,36-49,52-53H2,1-12H3,(H2,109,129)(H2,110,135)(H,111,114)(H,113,143)(H,115,139)(H,116,131)(H,117,130)(H,118,132)(H,119,140)(H,120,141)(H,121,142)(H,122,138)(H,123,136)(H,124,137)(H,144,145)/t58-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79+,86-,87-,88+,89+,90-,92-,106+,107-,108+/m0/s1"	CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC[C@H](NC(=O)CCC(=O)O[C@@H](C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)O)C(C)C)C(N)=O	CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)C(Cc1ccc(O)cc1)NC(=O)CCC(NC(=O)CCC(=O)OC(C(=O)OC1CC2(O)C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(O)C3(C)C(=O)C(OC(C)=O)C(=C1C)C2(C)C)C(NC(=O)c1ccccc1)c1ccccc1)C(=O)O)C(C)C)C(N)=O	PSPVOBSSKVGVHK-DNSSTLKWSA-N	.							
PDC_01648	EYQWAVGHLM - Paclitaxel conjugate	44	85	"InChI=1S/C160H206N30O40S2/c1-81(2)62-110(147(214)179-105(137(163)204)58-60-231-17)183-151(218)116(68-97-74-165-79-171-97)177-125(200)76-169-153(220)129(83(5)6)188-139(206)86(10)173-145(212)114(66-95-72-167-103-40-30-28-38-101(95)103)186-143(210)108(50-53-121(161)196)181-149(216)112(64-90-42-46-99(193)47-43-90)176-123(198)55-52-107(175-124(199)56-57-127(202)228-133(131(92-32-22-19-23-33-92)190-141(208)93-34-24-20-25-35-93)156(223)227-118-71-160(224)136(229-155(222)94-36-26-21-27-37-94)134-158(16,119(195)70-120-159(134,78-225-120)230-89(13)192)135(203)132(226-88(12)191)128(85(118)9)157(160,14)15)142(209)185-113(65-91-44-48-100(194)49-45-91)150(217)182-109(51-54-122(162)197)144(211)187-115(67-96-73-168-104-41-31-29-39-102(96)104)146(213)174-87(11)140(207)189-130(84(7)8)154(221)170-77-126(201)178-117(69-98-75-166-80-172-98)152(219)184-111(63-82(3)4)148(215)180-106(138(164)205)59-61-232-18/h19-49,72-75,79-84,86-87,105-120,129-134,136,167-168,193-195,224H,50-71,76-78H2,1-18H3,(H2,161,196)(H2,162,197)(H2,163,204)(H2,164,205)(H,165,171)(H,166,172)(H,169,220)(H,170,221)(H,173,212)(H,174,213)(H,175,199)(H,176,198)(H,177,200)(H,178,201)(H,179,214)(H,180,215)(H,181,216)(H,182,217)(H,183,218)(H,184,219)(H,185,209)(H,186,210)(H,187,211)(H,188,206)(H,189,207)(H,190,208)/t86-,87-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120+,129-,130-,131-,132+,133+,134-,136-,158+,159-,160+/m0/s1"	CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC[C@H](NC(=O)CCC(=O)O[C@@H](C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)C(C)C)C(C)C)C(N)=O	CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)C(Cc1ccc(O)cc1)NC(=O)CCC(NC(=O)CCC(=O)OC(C(=O)OC1CC2(O)C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(O)C3(C)C(=O)C(OC(C)=O)C(=C1C)C2(C)C)C(NC(=O)c1ccccc1)c1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCC(N)=O)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(C)C(=O)NC(C(=O)NCC(=O)NC(Cc1cnc[nH]1)C(=O)NC(CC(C)C)C(=O)NC(CCSC)C(N)=O)C(C)C)C(C)C)C(N)=O	TWSIRZMPMYHZFZ-FAFNGLALSA-N	.							
PDC_01649	GWS - DOTA conjugate 1	12	17	"InChI=1S/C30H45N8O13P/c31-29(46)24(19-51-52(48,49)50)34-30(47)23(13-20-14-32-22-4-2-1-3-21(20)22)33-25(39)15-35-5-7-36(16-26(40)41)9-11-38(18-28(44)45)12-10-37(8-6-35)17-27(42)43/h1-4,14,23-24,32H,5-13,15-19H2,(H2,31,46)(H,33,39)(H,34,47)(H,40,41)(H,42,43)(H,44,45)(H2,48,49,50)/t23-,24-/m0/s1"	NC(=O)[C@H](COP(=O)(O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1	NC(=O)C(COP(=O)(O)O)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1	WLWWMDRPXPFYQL-ZEQRLZLVSA-N	.							
PDC_01650	GWS - DOTA conjugate 2	11	15	"InChI=1S/C30H44N8O10/c31-29(47)24(19-39)34-30(48)23(13-20-14-32-22-4-2-1-3-21(20)22)33-25(40)15-35-5-7-36(16-26(41)42)9-11-38(18-28(45)46)12-10-37(8-6-35)17-27(43)44/h1-4,14,23-24,32,39H,5-13,15-19H2,(H2,31,47)(H,33,40)(H,34,48)(H,41,42)(H,43,44)(H,45,46)/t23-,24-/m0/s1"	NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1	NC(=O)C(CO)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1	XFTYULAVZNRTBX-ZEQRLZLVSA-N	.							
PDC_01651	EGFLGC - Methotrexate conjugate	16	24	"InChI=1S/C42H54N14O9S/c1-22(2)15-28(40(64)48-19-32(58)51-30(21-66)36(44)61)53-41(65)29(16-23-7-5-4-6-8-23)50-31(57)18-47-39(63)27(13-14-33(59)60)52-38(62)24-9-11-26(12-10-24)56(3)20-25-17-46-37-34(49-25)35(43)54-42(45)55-37/h4-12,17,22,27-30,66H,13-16,18-21H2,1-3H3,(H2,44,61)(H,47,63)(H,48,64)(H,50,57)(H,51,58)(H,52,62)(H,53,65)(H,59,60)(H4,43,45,46,54,55)/t27-,28+,29+,30+/m1/s1"	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CCC(=O)O)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)NCC(=O)N[C@@H](CS)C(N)=O	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)NCC(=O)NC(CS)C(N)=O	NZMKDHRVNGHWAO-RYTSNQFKSA-N	.							
PDC_01653	XGFLG - Methotrexate conjugate 1	16	24	"InChI=1S/C42H54N14O9S/c1-22(2)15-28(39(62)48-19-33(59)51-30(21-66)36(44)60)53-40(63)29(16-23-7-5-4-6-8-23)50-32(58)18-46-31(57)14-13-27(41(64)65)52-38(61)24-9-11-26(12-10-24)56(3)20-25-17-47-37-34(49-25)35(43)54-42(45)55-37/h4-12,17,22,27-30,66H,13-16,18-21H2,1-3H3,(H2,44,60)(H,46,57)(H,48,62)(H,50,58)(H,51,59)(H,52,61)(H,53,63)(H,64,65)(H4,43,45,47,54,55)/t27-,28-,29-,30-/m0/s1"	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CC[C@H](NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)O)C(=O)NCC(=O)N[C@@H](CS)C(N)=O	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CCC(NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)O)C(=O)NCC(=O)NC(CS)C(N)=O	ZINXSOGNSMBGPH-KRCBVYEFSA-N	.							
PDC_01654	GPLGPAG - Doxorubicin conjugate 1	20	22	"InChI=1S/C67H78N8O20/c1-32(2)23-43(73-65(89)45-19-12-22-75(45)51(80)29-70-66(90)93-31-41-37-15-8-6-13-35(37)36-14-7-9-16-38(36)41)63(87)69-28-50(79)74-21-11-18-44(74)64(88)71-33(3)62(86)68-27-49(78)72-42-24-52(94-34(4)57(42)81)95-47-26-67(91,48(77)30-76)25-40-54(47)61(85)56-55(59(40)83)58(82)39-17-10-20-46(92-5)53(39)60(56)84/h6-10,13-17,20,32-34,41-45,47,52,57,76,81,83,85,91H,11-12,18-19,21-31H2,1-5H3,(H,68,86)(H,69,87)(H,70,90)(H,71,88)(H,72,78)(H,73,89)/t33-,34-,42-,43-,44-,45-,47-,52-,57+,67-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)CNC(=O)C(C)NC(=O)C2CCCN2C(=O)CNC(=O)C(CC(C)C)NC(=O)C2CCCN2C(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)C(O)C(C)O1	PPUWRXOVDPNIHV-XILRTHKTSA-N	.							
PDC_01655	GPLGV - Doxorubicin conjugate 1	18	20	"InChI=1S/C62H72N6O18/c1-29(2)21-40(66-59(79)41-18-12-20-68(41)46(72)26-64-61(81)84-28-38-34-15-9-7-13-32(34)33-14-8-10-16-35(33)38)58(78)63-25-45(71)67-52(30(3)4)60(80)65-39-22-47(85-31(5)53(39)73)86-43-24-62(82,44(70)27-69)23-37-49(43)57(77)51-50(55(37)75)54(74)36-17-11-19-42(83-6)48(36)56(51)76/h7-11,13-17,19,29-31,38-41,43,47,52-53,69,73,75,77,82H,12,18,20-28H2,1-6H3,(H,63,78)(H,64,81)(H,65,80)(H,66,79)(H,67,71)/t31-,39-,40-,41-,43-,47-,52-,53+,62-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)C(NC(=O)CNC(=O)C(CC(C)C)NC(=O)C2CCCN2C(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)C(O)C(C)O1	ZPTJHCUWWFWDQR-IKRUVKFYSA-N	.							
PDC_01656	GPLG - Doxorubicin conjugate 1	17	17	"InChI=1S/C57H63N5O17/c1-27(2)19-37(61-55(73)38-16-10-18-62(38)43(66)24-59-56(74)77-26-35-31-13-7-5-11-29(31)30-12-6-8-14-32(30)35)54(72)58-23-42(65)60-36-20-44(78-28(3)49(36)67)79-40-22-57(75,41(64)25-63)21-34-46(40)53(71)48-47(51(34)69)50(68)33-15-9-17-39(76-4)45(33)52(48)70/h5-9,11-15,17,27-28,35-38,40,44,49,63,67,69,71,75H,10,16,18-26H2,1-4H3,(H,58,72)(H,59,74)(H,60,65)(H,61,73)/t28-,36-,37-,38-,40-,44-,49+,57-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)CNC(=O)C(CC(C)C)NC(=O)C2CCCN2C(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)C(O)C(C)O1	NUTIBXCAFUUUSP-SNFCGRHGSA-N	.							
PDC_01657	GPLGPAG - Doxorubicin conjugate	19	19	"InChI=1S/C52H68N8O18/c1-23(2)15-29(58-51(74)31-11-7-13-59(31)36(64)19-53)49(72)55-21-37(65)60-14-8-10-30(60)50(73)56-24(3)48(71)54-20-35(63)57-28-16-38(77-25(4)43(28)66)78-33-18-52(75,34(62)22-61)17-27-40(33)47(70)42-41(45(27)68)44(67)26-9-6-12-32(76-5)39(26)46(42)69/h6,9,12,23-25,28-31,33,38,43,61,66,68,70,75H,7-8,10-11,13-22,53H2,1-5H3,(H,54,71)(H,55,72)(H,56,73)(H,57,63)(H,58,74)/t24-,25-,28-,29-,30-,31-,33-,38-,43+,52-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)CN)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)CNC(=O)C(C)NC(=O)C2CCCN2C(=O)CNC(=O)C(CC(C)C)NC(=O)C2CCCN2C(=O)CN)C(O)C(C)O1	GPRYMFJZIXHAGZ-KCZPODFOSA-N	.							
PDC_01658	GPLGV - Doxorubicin conjugate 2	17	17	"InChI=1S/C47H62N6O16/c1-20(2)13-26(51-45(64)27-10-8-12-53(27)32(57)17-48)44(63)49-18-31(56)52-38(21(3)4)46(65)50-25-14-33(68-22(5)39(25)58)69-29-16-47(66,30(55)19-54)15-24-35(29)43(62)37-36(41(24)60)40(59)23-9-7-11-28(67-6)34(23)42(37)61/h7,9,11,20-22,25-27,29,33,38-39,54,58,60,62,66H,8,10,12-19,48H2,1-6H3,(H,49,63)(H,50,65)(H,51,64)(H,52,56)/t22-,25-,26-,27-,29-,33-,38-,39+,47-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)CN)C(C)C)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)C(NC(=O)CNC(=O)C(CC(C)C)NC(=O)C2CCCN2C(=O)CN)C(C)C)C(O)C(C)O1	VZHOMXIOPUBNGX-XSJGNUNTSA-N	.							
PDC_01659	GPLG - Doxorubicin conjugate 2	16	14	"InChI=1S/C42H53N5O15/c1-18(2)11-23(46-41(58)24-8-6-10-47(24)29(51)15-43)40(57)44-16-28(50)45-22-12-30(61-19(3)35(22)52)62-26-14-42(59,27(49)17-48)13-21-32(26)39(56)34-33(37(21)54)36(53)20-7-5-9-25(60-4)31(20)38(34)55/h5,7,9,18-19,22-24,26,30,35,48,52,54,56,59H,6,8,10-17,43H2,1-4H3,(H,44,57)(H,45,50)(H,46,58)/t19-,22-,23-,24-,26-,30-,35+,42-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)CN)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)CNC(=O)C(CC(C)C)NC(=O)C2CCCN2C(=O)CN)C(O)C(C)O1	QNIZDEDBAQNVEI-RAFTYYATSA-N	.							
PDC_01660	Penetratin fragment - Paclitaxel conjugate	33	57	"InChI=1S/C103H143N21O25S2/c1-56-73(146-97(142)81(129)80(59-27-11-8-12-28-59)123-87(132)60-29-13-9-14-30-60)52-103(143)85(148-96(141)61-31-15-10-16-32-61)83-101(6,84(130)82(145-57(2)125)79(56)100(103,4)5)75(51-76-102(83,55-144-76)149-58(3)126)147-78(128)40-47-124-77(127)50-74(95(124)140)151-54-64(107)88(133)117-69(38-25-45-113-98(109)110)90(135)119-70(39-26-46-114-99(111)112)91(136)121-71(41-48-150-7)93(138)118-68(37-21-24-44-106)92(137)122-72(49-62-53-115-65-34-18-17-33-63(62)65)94(139)120-67(36-20-23-43-105)89(134)116-66(86(108)131)35-19-22-42-104/h8-18,27-34,53,64,66-76,80-83,85,115,129,143H,19-26,35-52,54-55,104-107H2,1-7H3,(H2,108,131)(H,116,134)(H,117,133)(H,118,138)(H,119,135)(H,120,139)(H,121,136)(H,122,137)(H,123,132)(H4,109,110,113)(H4,111,112,114)/t64-,66-,67-,68-,69-,70-,71-,72-,73-,74?,75-,76+,80-,81+,82+,83-,85-,101+,102-,103+/m0/s1"	CSCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CSC1CC(=O)N(CCC(=O)O[C@H]2C[C@H]3OC[C@@]3(OC(C)=O)[C@H]3[C@H](OC(=O)c4ccccc4)[C@]4(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c5ccccc5)c5ccccc5)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]23C)C4(C)C)C1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O	CSCCC(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(N)CSC1CC(=O)N(CCC(=O)OC2CC3OCC3(OC(C)=O)C3C(OC(=O)c4ccccc4)C4(O)CC(OC(=O)C(O)C(NC(=O)c5ccccc5)c5ccccc5)C(C)=C(C(OC(C)=O)C(=O)C23C)C4(C)C)C1=O)C(=O)NC(CCCCN)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(N)=O	KNYRTHYZAJTVKR-ZFMVLTOZSA-N	.							
PDC_01663	Penetratin - Paclitaxel conjugate 1	47	99	"InChI=1S/C161H229N37O38S2/c1-12-86(3)126(196-144(218)109(61-63-121(168)202)186-136(210)105(57-38-70-176-155(170)171)181-135(209)99(166)84-238-117-79-123(204)198(151(117)225)73-64-124(205)234-118-80-119-160(85-231-119,236-90(7)200)131-133(235-153(228)94-47-24-17-25-48-94)161(230)81-116(88(5)125(158(161,8)9)130(232-89(6)199)132(207)159(118,131)10)233-154(229)129(206)128(92-43-20-15-21-44-92)197-134(208)93-45-22-16-23-46-93)149(223)189-104(55-32-36-68-164)143(217)195-127(87(4)13-2)150(224)194-114(77-96-83-180-101-52-29-27-50-98(96)101)147(221)191-112(75-91-41-18-14-19-42-91)145(219)187-108(60-62-120(167)201)141(215)193-115(78-122(169)203)148(222)185-107(59-40-72-178-157(174)175)137(211)183-106(58-39-71-177-156(172)173)138(212)188-110(65-74-237-11)142(216)182-103(54-31-35-67-163)140(214)192-113(76-95-82-179-100-51-28-26-49-97(95)100)146(220)184-102(53-30-34-66-162)139(213)190-111(152(226)227)56-33-37-69-165/h14-29,41-52,82-83,86-87,99,102-119,126-131,133,179-180,206,230H,12-13,30-40,53-81,84-85,162-166H2,1-11H3,(H2,167,201)(H2,168,202)(H2,169,203)(H,181,209)(H,182,216)(H,183,211)(H,184,220)(H,185,222)(H,186,210)(H,187,219)(H,188,212)(H,189,223)(H,190,213)(H,191,221)(H,192,214)(H,193,215)(H,194,224)(H,195,217)(H,196,218)(H,197,208)(H,226,227)(H4,170,171,176)(H4,172,173,177)(H4,174,175,178)/t86-,87-,99-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117?,118-,119+,126-,127-,128-,129+,130+,131-,133-,159+,160-,161+/m0/s1"	CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CSC1CC(=O)N(CCC(=O)O[C@H]2C[C@H]3OC[C@@]3(OC(C)=O)[C@H]3[C@H](OC(=O)c4ccccc4)[C@]4(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c5ccccc5)c5ccccc5)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]23C)C4(C)C)C1=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O	CCC(C)C(NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(CCC(N)=O)NC(=O)C(CCCNC(=N)N)NC(=O)C(N)CSC1CC(=O)N(CCC(=O)OC2CC3OCC3(OC(C)=O)C3C(OC(=O)c4ccccc4)C4(O)CC(OC(=O)C(O)C(NC(=O)c5ccccc5)c5ccccc5)C(C)=C(C(OC(C)=O)C(=O)C23C)C4(C)C)C1=O)C(C)CC)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(=O)NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCSC)C(=O)NC(CCCCN)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)O	BUFRJJNSXLBZLY-CHCOBEPHSA-N	.							
PDC_01664	Penetratin - Paclitaxel conjugate 2	47	99	"InChI=1S/C161H230N38O37S2/c1-12-86(3)126(197-145(220)110(61-63-121(168)204)188-138(213)106(57-38-70-177-155(171)172)183-136(211)99(166)84-238-117-79-123(206)199(152(117)227)73-64-124(207)234-130(128(92-43-20-15-21-44-92)198-135(210)93-45-22-16-23-46-93)154(229)233-116-81-161(230)133(235-153(228)94-47-24-17-25-48-94)131-159(10,118(202)80-119-160(131,85-231-119)236-90(7)201)132(208)129(232-89(6)200)125(88(116)5)158(161,8)9)150(225)191-105(56-33-37-69-165)144(219)196-127(87(4)13-2)151(226)195-114(77-96-83-181-101-52-29-27-50-98(96)101)148(223)192-112(75-91-41-18-14-19-42-91)146(221)189-109(60-62-120(167)203)142(217)194-115(78-122(169)205)149(224)187-108(59-40-72-179-157(175)176)139(214)185-107(58-39-71-178-156(173)174)140(215)190-111(65-74-237-11)143(218)184-104(55-32-36-68-164)141(216)193-113(76-95-82-180-100-51-28-26-49-97(95)100)147(222)186-103(54-31-35-67-163)137(212)182-102(134(170)209)53-30-34-66-162/h14-29,41-52,82-83,86-87,99,102-119,126-131,133,180-181,202,230H,12-13,30-40,53-81,84-85,162-166H2,1-11H3,(H2,167,203)(H2,168,204)(H2,169,205)(H2,170,209)(H,182,212)(H,183,211)(H,184,218)(H,185,214)(H,186,222)(H,187,224)(H,188,213)(H,189,221)(H,190,215)(H,191,225)(H,192,223)(H,193,216)(H,194,217)(H,195,226)(H,196,219)(H,197,220)(H,198,210)(H4,171,172,177)(H4,173,174,178)(H4,175,176,179)/t86-,87-,99-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117?,118-,119+,126-,127-,128-,129+,130+,131-,133-,159+,160-,161+/m0/s1"	CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CSC1CC(=O)N(CCC(=O)O[C@@H](C(=O)O[C@H]2C[C@@]3(O)[C@@H](OC(=O)c4ccccc4)[C@@H]4[C@]5(OC(C)=O)CO[C@@H]5C[C@H](O)[C@@]4(C)C(=O)[C@H](OC(C)=O)C(=C2C)C3(C)C)[C@@H](NC(=O)c2ccccc2)c2ccccc2)C1=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O	CCC(C)C(NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(CCC(N)=O)NC(=O)C(CCCNC(=N)N)NC(=O)C(N)CSC1CC(=O)N(CCC(=O)OC(C(=O)OC2CC3(O)C(OC(=O)c4ccccc4)C4C5(OC(C)=O)COC5CC(O)C4(C)C(=O)C(OC(C)=O)C(=C2C)C3(C)C)C(NC(=O)c2ccccc2)c2ccccc2)C1=O)C(C)CC)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(=O)NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCSC)C(=O)NC(CCCCN)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(N)=O	CGYPKFITRFSDAL-CHCOBEPHSA-N	.							
PDC_01666	XASXQSL - Doxorubicin conjugate 1	24	31	"InChI=1S/C65H89N9O25/c1-28(2)19-37(60(91)69-36-21-47(98-30(4)53(36)84)99-42-23-65(96,43(79)27-77)22-34-49(42)57(88)51-50(55(34)86)54(85)33-13-9-14-41(97-5)48(33)56(51)87)70-61(92)38(25-75)72-59(90)35(17-18-44(66)80)68-64(95)52(31-11-7-6-8-12-31)73-62(93)39(26-76)71-58(89)29(3)67-63(94)40-20-32(78)24-74(40)45(81)15-10-16-46(82)83/h9,13-14,28-32,35-40,42,47,52-53,75-78,84,86,88,96H,6-8,10-12,15-27H2,1-5H3,(H2,66,80)(H,67,94)(H,68,95)(H,69,91)(H,70,92)(H,71,89)(H,72,90)(H,73,93)(H,82,83)/t29-,30-,32+,35-,36-,37-,38-,39-,40-,42-,47-,52-,53+,65-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)CCCC(=O)O)C2CCCCC2)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(CO)NC(=O)C(C)NC(=O)C2CC(O)CN2C(=O)CCCC(=O)O)C2CCCCC2)C(O)C(C)O1	CZXGBIFEWYVYJY-NPLULESDSA-N	.							
PDC_01667	GRKKRRQRRRPPQ - Porphine derivative conjugate	43	106	"InChI=1S/C142H206N42O36/c143-51-3-1-13-102(127(199)176-103(14-2-4-52-144)128(200)177-104(16-6-54-163-138(150)151)129(201)178-106(18-8-56-165-140(154)155)131(203)181-108(48-50-113(146)186)133(205)180-105(17-7-55-164-139(152)153)130(202)179-107(19-9-57-166-141(156)157)132(204)182-109(20-10-58-167-142(158)159)135(207)184-62-12-22-111(184)136(208)183-61-11-21-110(183)134(206)174-100(125(147)197)47-49-112(145)185)175-126(198)101(15-5-53-162-137(148)149)173-114(187)77-168-116(189)79-216-78-115(188)160-59-63-209-65-67-211-69-71-213-73-75-215-76-74-214-72-70-212-68-66-210-64-60-161-117(190)80-217-88-31-23-84(24-32-88)121-92-39-41-94(169-92)122(85-25-33-89(34-26-85)218-81-118(191)192)96-43-45-98(171-96)124(87-29-37-91(38-30-87)220-83-120(195)196)99-46-44-97(172-99)123(95-42-40-93(121)170-95)86-27-35-90(36-28-86)219-82-119(193)194/h23-46,100-111,169-170H,1-22,47-83,143-144H2,(H2,145,185)(H2,146,186)(H2,147,197)(H,160,188)(H,161,190)(H,168,189)(H,173,187)(H,174,206)(H,175,198)(H,176,199)(H,177,200)(H,178,201)(H,179,202)(H,180,205)(H,181,203)(H,182,204)(H,191,192)(H,193,194)(H,195,196)(H4,148,149,162)(H4,150,151,163)(H4,152,153,164)(H4,154,155,165)(H4,156,157,166)(H4,158,159,167)/t100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-/m0/s1"	N=C(N)NCCC[C@H](NC(=O)CNC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)COc1ccc(-c2c3ccc([nH]3)c(-c3ccc(OCC(=O)O)cc3)c3nc(c(-c4ccc(OCC(=O)O)cc4)c4nc(c(-c5ccc(OCC(=O)O)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(N)=O	N=C(N)NCCCC(NC(=O)CNC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)COc1ccc(-c2c3ccc([nH]3)c(-c3ccc(OCC(=O)O)cc3)c3nc(c(-c4ccc(OCC(=O)O)cc4)c4nc(c(-c5ccc(OCC(=O)O)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(CCC(N)=O)C(N)=O	NLXLMKVGEUGURT-GETDLKIWSA-N	.							
PDC_01668	GPKKKRKV - Porphine derivative conjugate 1	33	80	"InChI=1S/C114H156N22O29/c1-72(2)106(107(119)147)135-112(152)92(16-6-10-46-118)132-111(151)93(17-11-47-124-114(120)121)133-109(149)90(14-4-8-44-116)130-108(148)89(13-3-7-43-115)131-110(150)91(15-5-9-45-117)134-113(153)94-18-12-50-136(94)98(140)65-125-96(138)67-161-66-95(137)122-48-51-154-53-55-156-57-59-158-61-63-160-64-62-159-60-58-157-56-54-155-52-49-123-97(139)68-162-77-27-19-73(20-28-77)102-81-35-37-83(126-81)103(74-21-29-78(30-22-74)163-69-99(141)142)85-39-41-87(128-85)105(76-25-33-80(34-26-76)165-71-101(145)146)88-42-40-86(129-88)104(84-38-36-82(102)127-84)75-23-31-79(32-24-75)164-70-100(143)144/h19-42,72,89-94,106,126-127H,3-18,43-71,115-118H2,1-2H3,(H2,119,147)(H,122,137)(H,123,139)(H,125,138)(H,130,148)(H,131,150)(H,132,151)(H,133,149)(H,134,153)(H,135,152)(H,141,142)(H,143,144)(H,145,146)(H4,120,121,124)/t89-,90-,91-,92-,93-,94-,106-/m0/s1"	CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)COc1ccc(-c2c3ccc([nH]3)c(-c3ccc(OCC(=O)O)cc3)c3nc(c(-c4ccc(OCC(=O)O)cc4)c4nc(c(-c5ccc(OCC(=O)O)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(N)=O	CC(C)C(NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)CNC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)COc1ccc(-c2c3ccc([nH]3)c(-c3ccc(OCC(=O)O)cc3)c3nc(c(-c4ccc(OCC(=O)O)cc4)c4nc(c(-c5ccc(OCC(=O)O)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(N)=O	NNUPZYXDXDAWQU-ZFLOOJQXSA-N	.							
PDC_01669	PPQ - Porphine derivative conjugate	35	91	"InChI=1S/C132H192N42O25/c133-54-12-10-28-95(117(183)166-96(29-11-13-55-134)118(184)167-97(31-15-57-152-128(140)141)119(185)168-99(33-17-59-154-130(144)145)121(187)171-101(51-53-106(136)176)123(189)170-98(32-16-58-153-129(142)143)120(186)169-100(34-18-60-155-131(146)147)122(188)172-102(35-19-61-156-132(148)149)125(191)174-64-21-37-104(174)126(192)173-63-20-36-103(173)124(190)164-93(115(137)181)50-52-105(135)175)165-116(182)94(30-14-56-151-127(138)139)163-107(177)76-157-109(179)77-198-75-74-197-73-72-196-71-70-195-69-68-194-67-66-193-65-62-150-108(178)78-199-79-110(180)158-84-40-38-83(39-41-84)114-91-48-46-89(161-91)112(81-24-6-2-7-25-81)87-44-42-85(159-87)111(80-22-4-1-5-23-80)86-43-45-88(160-86)113(82-26-8-3-9-27-82)90-47-49-92(114)162-90/h1-9,22-27,38-49,93-104,161-162H,10-21,28-37,50-79,133-134H2,(H2,135,175)(H2,136,176)(H2,137,181)(H,150,178)(H,157,179)(H,158,180)(H,163,177)(H,164,190)(H,165,182)(H,166,183)(H,167,184)(H,168,185)(H,169,186)(H,170,189)(H,171,187)(H,172,188)(H4,138,139,151)(H4,140,141,152)(H4,142,143,153)(H4,144,145,154)(H4,146,147,155)(H4,148,149,156)/t93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-/m0/s1"	N=C(N)NCCC[C@H](NC(=O)CNC(=O)COCCOCCOCCOCCOCCOCCNC(=O)COCC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(N)=O	N=C(N)NCCCC(NC(=O)CNC(=O)COCCOCCOCCOCCOCCOCCNC(=O)COCC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(CCC(N)=O)C(N)=O	ZIDWIBCYYMRFMJ-NVCGTYQQSA-N	.							
PDC_01670	GRRRRRRRR - Porphine derivative conjugate	29	79	"InChI=1S/C112H161N39O20/c113-105(114)130-44-10-24-81(97(156)145-82(25-11-45-131-106(115)116)98(157)146-83(26-12-46-132-107(117)118)99(158)147-84(27-13-47-133-108(119)120)100(159)148-85(28-14-48-134-109(121)122)101(160)149-86(29-15-49-135-110(123)124)102(161)150-87(30-16-50-136-111(125)126)103(162)151-88(104(163)164)31-17-51-137-112(127)128)144-89(152)64-138-91(154)65-170-63-62-169-61-60-168-59-58-167-57-56-166-55-54-165-53-52-129-90(153)66-171-67-92(155)139-72-34-32-71(33-35-72)96-79-42-40-77(142-79)94(69-20-6-2-7-21-69)75-38-36-73(140-75)93(68-18-4-1-5-19-68)74-37-39-76(141-74)95(70-22-8-3-9-23-70)78-41-43-80(96)143-78/h1-9,18-23,32-43,81-88,140,142H,10-17,24-31,44-67H2,(H,129,153)(H,138,154)(H,139,155)(H,144,152)(H,145,156)(H,146,157)(H,147,158)(H,148,159)(H,149,160)(H,150,161)(H,151,162)(H,163,164)(H4,113,114,130)(H4,115,116,131)(H4,117,118,132)(H4,119,120,133)(H4,121,122,134)(H4,123,124,135)(H4,125,126,136)(H4,127,128,137)/t81-,82-,83-,84-,85-,86-,87-,88-/m0/s1"	N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)COCCOCCOCCOCCOCCOCCNC(=O)COCC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc2C=C4)C=C3)cc1)C(=O)O	N=C(N)NCCCC(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)COCCOCCOCCOCCOCCOCCNC(=O)COCC(=O)Nc1ccc(-c2c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc([nH]5)c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)O	RJTSQFUOZFTCBQ-AMSGCXRISA-N	.							
PDC_01671	GPKKKRKV - Porphine derivative conjugate 2	25	65	"InChI=1S/C104H142N22O18/c1-68(2)96(97(109)131)125-102(136)85(31-15-19-49-108)122-101(135)86(32-20-50-113-104(110)111)123-99(133)83(29-13-17-47-106)120-98(132)82(28-12-16-46-105)121-100(134)84(30-14-18-48-107)124-103(137)87-33-21-52-126(87)91(130)64-114-89(128)65-143-63-62-142-61-60-141-59-58-140-57-56-139-55-54-138-53-51-112-88(127)66-144-67-90(129)115-73-36-34-72(35-37-73)95-80-44-42-78(118-80)93(70-24-8-4-9-25-70)76-40-38-74(116-76)92(69-22-6-3-7-23-69)75-39-41-77(117-75)94(71-26-10-5-11-27-71)79-43-45-81(95)119-79/h3-11,22-27,34-45,68,82-87,96,118-119H,12-21,28-33,46-67,105-108H2,1-2H3,(H2,109,131)(H,112,127)(H,114,128)(H,115,129)(H,120,132)(H,121,134)(H,122,135)(H,123,133)(H,124,137)(H,125,136)(H4,110,111,113)/t82-,83-,84-,85-,86-,87-,96-/m0/s1"	CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)COCCOCCOCCOCCOCCOCCNC(=O)COCC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(N)=O	CC(C)C(NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)CNC(=O)COCCOCCOCCOCCOCCOCCNC(=O)COCC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(N)=O	RXBKHFQWBBYTID-NYELTZJJSA-N	.							
PDC_01672	"CGYGPKKKRKVGG - N-[5-[(6-chloro-2-methoxy-9-acridinyl)amino]pentyl]-4-[(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)methyl]-cyclohexanecarboxamide conjugate"	27	61	"InChI=1S/C91H139ClN24O19S/c1-53(2)78(89(133)105-47-73(118)103-50-77(122)123)114-87(131)67(20-8-12-38-96)111-86(130)68(21-15-41-102-91(98)99)112-84(128)65(18-6-10-36-94)109-83(127)64(17-5-9-35-93)110-85(129)66(19-7-11-37-95)113-88(132)71-22-16-42-115(71)76(121)49-106-82(126)70(43-54-25-30-58(117)31-26-54)108-74(119)48-104-81(125)62(97)52-136-72-46-75(120)116(90(72)134)51-55-23-27-56(28-24-55)80(124)101-40-14-4-13-39-100-79-60-33-29-57(92)44-69(60)107-63-34-32-59(135-3)45-61(63)79/h25-26,29-34,44-45,53,55-56,62,64-68,70-72,78,117H,4-24,27-28,35-43,46-52,93-97H2,1-3H3,(H,100,107)(H,101,124)(H,103,118)(H,104,125)(H,105,133)(H,106,126)(H,108,119)(H,109,127)(H,110,129)(H,111,130)(H,112,128)(H,113,132)(H,114,131)(H,122,123)(H4,98,99,102)/t55?,56?,62-,64-,65-,66-,67-,68-,70-,71-,72?,78-/m0/s1"	COc1ccc2nc3cc(Cl)ccc3c(NCCCCCNC(=O)C3CCC(CN4C(=O)CC(SC[C@H](N)C(=O)NCC(=O)N[C@@H](Cc5ccc(O)cc5)C(=O)NCC(=O)N5CCC[C@H]5C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)O)C(C)C)C4=O)CC3)c2c1	COc1ccc2nc3cc(Cl)ccc3c(NCCCCCNC(=O)C3CCC(CN4C(=O)CC(SCC(N)C(=O)NCC(=O)NC(Cc5ccc(O)cc5)C(=O)NCC(=O)N5CCCC5C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(C(=O)NCC(=O)NCC(=O)O)C(C)C)C4=O)CC3)c2c1	LZGULAFZXWOQCK-JDUSATIYSA-N	.							
PDC_01673	"CGYGPKKKRKVGG - N-[5-[[3-[(6-chloro-2-methoxy-9-acridinyl)amino]-1-oxopropyl]amino]pentyl]-4-[(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)methyl]-cyclohexanecarboxamide conjugate"	28	64	"InChI=1S/C94H144ClN25O20S/c1-55(2)81(92(138)109-49-76(123)107-52-80(127)128)118-90(136)69(20-8-12-39-99)115-89(135)70(21-15-42-106-94(101)102)116-87(133)67(18-6-10-37-97)113-86(132)66(17-5-9-36-96)114-88(134)68(19-7-11-38-98)117-91(137)73-22-16-44-119(73)79(126)51-110-85(131)72(45-56-25-30-60(121)31-26-56)112-77(124)50-108-84(130)64(100)54-141-74-48-78(125)120(93(74)139)53-57-23-27-58(28-24-57)83(129)105-41-14-4-13-40-103-75(122)35-43-104-82-62-33-29-59(95)46-71(62)111-65-34-32-61(140-3)47-63(65)82/h25-26,29-34,46-47,55,57-58,64,66-70,72-74,81,121H,4-24,27-28,35-45,48-54,96-100H2,1-3H3,(H,103,122)(H,104,111)(H,105,129)(H,107,123)(H,108,130)(H,109,138)(H,110,131)(H,112,124)(H,113,132)(H,114,134)(H,115,135)(H,116,133)(H,117,137)(H,118,136)(H,127,128)(H4,101,102,106)/t57?,58?,64-,66-,67-,68-,69-,70-,72-,73-,74?,81-/m0/s1"	COc1ccc2nc3cc(Cl)ccc3c(NCCC(=O)NCCCCCNC(=O)C3CCC(CN4C(=O)CC(SC[C@H](N)C(=O)NCC(=O)N[C@@H](Cc5ccc(O)cc5)C(=O)NCC(=O)N5CCC[C@H]5C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)O)C(C)C)C4=O)CC3)c2c1	COc1ccc2nc3cc(Cl)ccc3c(NCCC(=O)NCCCCCNC(=O)C3CCC(CN4C(=O)CC(SCC(N)C(=O)NCC(=O)NC(Cc5ccc(O)cc5)C(=O)NCC(=O)N5CCCC5C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(C(=O)NCC(=O)NCC(=O)O)C(C)C)C4=O)CC3)c2c1	ZUHJMFAVHHICEL-JQTSGAKISA-N	.							
PDC_01674	"CGYGPKKKRKVGG - N-[5-[[12-[(6-chloro-2-methoxy-9-acridinyl)amino]-1-oxododecyl]amino]pentyl]-4-[(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)methyl]-cyclohexanecarboxamide conjugate"	28	70	"InChI=1S/C100H156ClN25O20S/c1-61(2)87(98(144)115-55-82(129)113-58-86(133)134)124-96(142)75(26-15-19-45-105)121-95(141)76(27-21-47-112-100(107)108)122-93(139)73(24-13-17-43-103)119-92(138)72(23-12-16-42-102)120-94(140)74(25-14-18-44-104)123-97(143)79-28-22-50-125(79)85(132)57-116-91(137)78(51-62-32-37-66(127)38-33-62)118-83(130)56-114-90(136)70(106)60-147-80-54-84(131)126(99(80)145)59-63-30-34-64(35-31-63)89(135)111-49-48-109-81(128)29-11-9-7-5-4-6-8-10-20-46-110-88-68-40-36-65(101)52-77(68)117-71-41-39-67(146-3)53-69(71)88/h32-33,36-41,52-53,61,63-64,70,72-76,78-80,87,127H,4-31,34-35,42-51,54-60,102-106H2,1-3H3,(H,109,128)(H,110,117)(H,111,135)(H,113,129)(H,114,136)(H,115,144)(H,116,137)(H,118,130)(H,119,138)(H,120,140)(H,121,141)(H,122,139)(H,123,143)(H,124,142)(H,133,134)(H4,107,108,112)/t63?,64?,70-,72-,73-,74-,75-,76-,78-,79-,80?,87-/m0/s1"	COc1ccc2nc3cc(Cl)ccc3c(NCCCCCCCCCCCC(=O)NCCNC(=O)C3CCC(CN4C(=O)CC(SC[C@H](N)C(=O)NCC(=O)N[C@@H](Cc5ccc(O)cc5)C(=O)NCC(=O)N5CCC[C@H]5C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)O)C(C)C)C4=O)CC3)c2c1	COc1ccc2nc3cc(Cl)ccc3c(NCCCCCCCCCCCC(=O)NCCNC(=O)C3CCC(CN4C(=O)CC(SCC(N)C(=O)NCC(=O)NC(Cc5ccc(O)cc5)C(=O)NCC(=O)N5CCCC5C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(C(=O)NCC(=O)NCC(=O)O)C(C)C)C4=O)CC3)c2c1	MTKPZBDFIBRYIN-OHJMGDFSSA-N	.							
PDC_01675	"CGYGPKKKRKVGG - N-[2-[[12-[(6-chloro-2-methoxy-9-acridinyl)amino]-1-oxododecyl]amino]ethyl]-4-[(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)methyl]-cyclohexanecarboxamide conjugate"	28	73	"InChI=1S/C103H162ClN25O20S/c1-64(2)90(101(147)118-58-85(132)116-61-89(136)137)127-99(145)78(29-16-20-48-108)124-98(144)79(30-24-52-115-103(110)111)125-96(142)76(27-14-18-46-106)122-95(141)75(26-13-17-45-105)123-97(143)77(28-15-19-47-107)126-100(146)82-31-25-53-128(82)88(135)60-119-94(140)81(54-65-35-40-69(130)41-36-65)121-86(133)59-117-93(139)73(109)63-150-83-57-87(134)129(102(83)148)62-66-33-37-67(38-34-66)92(138)114-51-23-11-22-49-112-84(131)32-12-9-7-5-4-6-8-10-21-50-113-91-71-43-39-68(104)55-80(71)120-74-44-42-70(149-3)56-72(74)91/h35-36,39-44,55-56,64,66-67,73,75-79,81-83,90,130H,4-34,37-38,45-54,57-63,105-109H2,1-3H3,(H,112,131)(H,113,120)(H,114,138)(H,116,132)(H,117,139)(H,118,147)(H,119,140)(H,121,133)(H,122,141)(H,123,143)(H,124,144)(H,125,142)(H,126,146)(H,127,145)(H,136,137)(H4,110,111,115)/t66?,67?,73-,75-,76-,77-,78-,79-,81-,82-,83?,90-/m0/s1"	COc1ccc2nc3cc(Cl)ccc3c(NCCCCCCCCCCCC(=O)NCCCCCNC(=O)C3CCC(CN4C(=O)CC(SC[C@H](N)C(=O)NCC(=O)N[C@@H](Cc5ccc(O)cc5)C(=O)NCC(=O)N5CCC[C@H]5C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)O)C(C)C)C4=O)CC3)c2c1	COc1ccc2nc3cc(Cl)ccc3c(NCCCCCCCCCCCC(=O)NCCCCCNC(=O)C3CCC(CN4C(=O)CC(SCC(N)C(=O)NCC(=O)NC(Cc5ccc(O)cc5)C(=O)NCC(=O)N5CCCC5C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(C(=O)NCC(=O)NCC(=O)O)C(C)C)C4=O)CC3)c2c1	CEWQWUZRVBPWJG-QFEAFOLISA-N	.							
PDC_01676	Tripeptide 88 - Porphyrin derivative conjugate 1	13	30	"InChI=1S/C82H97N11O12/c1-80(2,3)103-77(100)83-49-22-19-32-65(74(96)92-66(33-20-23-50-84-78(101)104-81(4,5)6)75(97)93-67(76(98)99)34-21-24-51-85-79(102)105-82(7,8)9)91-69(95)36-25-35-68(94)86-56-39-37-55(38-40-56)73-63-47-45-61(89-63)71(53-28-15-11-16-29-53)59-43-41-57(87-59)70(52-26-13-10-14-27-52)58-42-44-60(88-58)72(54-30-17-12-18-31-54)62-46-48-64(73)90-62/h10-18,26-31,37-48,65-67,89-90H,19-25,32-36,49-51H2,1-9H3,(H,83,100)(H,84,101)(H,85,102)(H,86,94)(H,91,95)(H,92,96)(H,93,97)(H,98,99)/t65-,66-,67-/m0/s1"	CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)CCCC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)O	CC(C)(C)OC(=O)NCCCCC(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)CCCC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)O	AJEBTZOBXXHWNI-HAVWHVHFSA-N	.							
PDC_01677	Dipeptide 38 - Porphyrin derivative conjugate 1	10	23	"InChI=1S/C71H77N9O9/c1-70(2,3)88-68(86)72-43-18-16-27-58(66(83)80-59(67(84)85)28-17-19-44-73-69(87)89-71(4,5)6)79-61(82)30-20-29-60(81)74-49-33-31-48(32-34-49)65-56-41-39-54(77-56)63(46-23-12-8-13-24-46)52-37-35-50(75-52)62(45-21-10-7-11-22-45)51-36-38-53(76-51)64(47-25-14-9-15-26-47)55-40-42-57(65)78-55/h7-15,21-26,31-42,58-59,77-78H,16-20,27-30,43-44H2,1-6H3,(H,72,86)(H,73,87)(H,74,81)(H,79,82)(H,80,83)(H,84,85)/t58-,59-/m0/s1"	CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)CCCC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)O	CC(C)(C)OC(=O)NCCCCC(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)CCCC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)O	CXZPUSWWPZLTHT-LYJOYROPSA-N	.							
PDC_01678	Tetrapeptide 44 - Porphyrin derivative conjugate	12	33	"InChI=1S/C73H86N20O6/c74-40-11-10-22-59(69(98)91-57(67(75)96)23-13-41-82-71(76)77)92-70(99)60(25-15-43-84-73(80)81)93-68(97)58(24-14-42-83-72(78)79)90-62(95)27-12-26-61(94)85-48-30-28-47(29-31-48)66-55-38-36-53(88-55)64(45-18-6-2-7-19-45)51-34-32-49(86-51)63(44-16-4-1-5-17-44)50-33-35-52(87-50)65(46-20-8-3-9-21-46)54-37-39-56(66)89-54/h1-9,16-21,28-39,57-60,88-89H,10-15,22-27,40-43,74H2,(H2,75,96)(H,85,94)(H,90,95)(H,91,98)(H,92,99)(H,93,97)(H4,76,77,82)(H4,78,79,83)(H4,80,81,84)/t57-,58-,59-,60-/m0/s1"	N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(N)=O	N=C(N)NCCCC(NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)CCCC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(N)=O	ZJPCHPRSHLYCLV-YKDOIGRJSA-N	.							
PDC_01679	Tetrapeptide 45 - Porphyrin derivative conjugate	12	33	"InChI=1S/C73H86N20O6/c74-40-11-10-22-58(68(97)92-60(25-15-43-84-73(80)81)70(99)93-59(24-14-42-83-72(78)79)69(98)91-57(67(75)96)23-13-41-82-71(76)77)90-62(95)27-12-26-61(94)85-48-30-28-47(29-31-48)66-55-38-36-53(88-55)64(45-18-6-2-7-19-45)51-34-32-49(86-51)63(44-16-4-1-5-17-44)50-33-35-52(87-50)65(46-20-8-3-9-21-46)54-37-39-56(66)89-54/h1-9,16-21,28-39,57-60,88-89H,10-15,22-27,40-43,74H2,(H2,75,96)(H,85,94)(H,90,95)(H,91,98)(H,92,97)(H,93,99)(H4,76,77,82)(H4,78,79,83)(H4,80,81,84)/t57-,58-,59-,60-/m0/s1"	N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)CCCC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(N)=O	N=C(N)NCCCC(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)CCCC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(N)=O	FOGVOBWYEUIQDQ-YKDOIGRJSA-N	.							
PDC_01680	Tripeptide 89 - Porphyrin derivative conjugate	10	27	"InChI=1S/C67H74N18O5/c68-62(88)53(20-11-37-75-65(69)70)84-64(90)55(22-13-39-77-67(73)74)85-63(89)54(21-12-38-76-66(71)72)83-57(87)24-10-23-56(86)78-44-27-25-43(26-28-44)61-51-35-33-49(81-51)59(41-16-6-2-7-17-41)47-31-29-45(79-47)58(40-14-4-1-5-15-40)46-30-32-48(80-46)60(42-18-8-3-9-19-42)50-34-36-52(61)82-50/h1-9,14-19,25-36,53-55,81-82H,10-13,20-24,37-39H2,(H2,68,88)(H,78,86)(H,83,87)(H,84,90)(H,85,89)(H4,69,70,75)(H4,71,72,76)(H4,73,74,77)/t53-,54-,55-/m0/s1"	N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(N)=O	N=C(N)NCCCC(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)CCCC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(N)=O	VVCAWWAMJSNMRA-JAZQDMDPSA-N	.							
PDC_01681	Tripeptide 88 - Porphyrin derivative conjugate 2	10	27	"InChI=1S/C67H74N12O5/c68-40-13-10-23-56(65(71)82)78-67(84)58(25-12-15-42-70)79-66(83)57(24-11-14-41-69)77-60(81)27-16-26-59(80)72-47-30-28-46(29-31-47)64-54-38-36-52(75-54)62(44-19-6-2-7-20-44)50-34-32-48(73-50)61(43-17-4-1-5-18-43)49-33-35-51(74-49)63(45-21-8-3-9-22-45)53-37-39-55(64)76-53/h1-9,17-22,28-39,56-58,75-76H,10-16,23-27,40-42,68-70H2,(H2,71,82)(H,72,80)(H,77,81)(H,78,84)(H,79,83)/t56-,57-,58-/m0/s1"	NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CCCC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(N)=O	NCCCCC(NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)CCCC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(N)=O	PHZPIUGCDZUCNR-IESRBOSDSA-N	.							
PDC_01682	Dipeptide 38 - Porphyrin derivative conjugate 2	11	29	"InChI=1S/C69H80N20O4S/c70-37-11-10-21-55(63(91)86-54(62(71)90)22-12-38-78-66(72)73)87-64(92)56(23-13-39-79-67(74)75)88-65(93)57(24-14-40-80-68(76)77)89-69(94)81-45-27-25-44(26-28-45)61-52-35-33-50(84-52)59(42-17-6-2-7-18-42)48-31-29-46(82-48)58(41-15-4-1-5-16-41)47-30-32-49(83-47)60(43-19-8-3-9-20-43)51-34-36-53(61)85-51/h1-9,15-20,25-36,54-57,84-85H,10-14,21-24,37-40,70H2,(H2,71,90)(H,86,91)(H,87,92)(H,88,93)(H4,72,73,78)(H4,74,75,79)(H4,76,77,80)(H2,81,89,94)/t54-,55-,56-,57-/m0/s1"	N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=S)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(N)=O	N=C(N)NCCCC(NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=S)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(N)=O	HULUHKUQFWTJHI-BNCXHCIVSA-N	.							
PDC_01683	Tripeptide 88 - Porphyrin derivative conjugate 3	10	27	"InChI=1S/C67H73N11O6/c68-40-13-10-23-56(65(81)77-57(24-11-14-41-69)66(82)78-58(67(83)84)25-12-15-42-70)76-60(80)27-16-26-59(79)71-47-30-28-46(29-31-47)64-54-38-36-52(74-54)62(44-19-6-2-7-20-44)50-34-32-48(72-50)61(43-17-4-1-5-18-43)49-33-35-51(73-49)63(45-21-8-3-9-22-45)53-37-39-55(64)75-53/h1-9,17-22,28-39,56-58,74-75H,10-16,23-27,40-42,68-70H2,(H,71,79)(H,76,80)(H,77,81)(H,78,82)(H,83,84)/t56-,57-,58-/m0/s1"	NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CCCC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)O	NCCCCC(NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)CCCC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)O	ZFBQJLHPHYBQGZ-IESRBOSDSA-N	.							
PDC_01684	Dipeptide 39 - Porphyrin derivative conjugate	8	21	"InChI=1S/C61H61N9O5/c62-37-12-10-21-52(60(73)70-53(61(74)75)22-11-13-38-63)69-55(72)24-14-23-54(71)64-43-27-25-42(26-28-43)59-50-35-33-48(67-50)57(40-17-6-2-7-18-40)46-31-29-44(65-46)56(39-15-4-1-5-16-39)45-30-32-47(66-45)58(41-19-8-3-9-20-41)49-34-36-51(59)68-49/h1-9,15-20,25-36,52-53,67-68H,10-14,21-24,37-38,62-63H2,(H,64,71)(H,69,72)(H,70,73)(H,74,75)/t52-,53-/m0/s1"	NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)CCCC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)O	NCCCCC(NC(=O)C(CCCCN)NC(=O)CCCC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)O	FSXRSOYOJICGTP-BNLBYEDMSA-N	.							
PDC_01685	Tripeptide 88 - Porphyrin derivative conjugate 4	9	23	"InChI=1S/C63H67N11O4S/c64-37-13-10-22-53(60(75)73-55(62(77)78)24-12-15-39-66)72-61(76)54(23-11-14-38-65)74-63(79)67-44-27-25-43(26-28-44)59-51-35-33-49(70-51)57(41-18-6-2-7-19-41)47-31-29-45(68-47)56(40-16-4-1-5-17-40)46-30-32-48(69-46)58(42-20-8-3-9-21-42)50-34-36-52(59)71-50/h1-9,16-21,25-36,53-55,70-71H,10-15,22-24,37-39,64-66H2,(H,72,76)(H,73,75)(H,77,78)(H2,67,74,79)/t53-,54-,55-/m0/s1"	NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=S)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)O	NCCCCC(NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=S)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)O	XYDRZXUZQKOCFI-JAZQDMDPSA-N	.							
PDC_01686	"Dipeptide 40 - 3,4-dihydro-2,2,5,7,8-pentamethyl-2H-1-benzopyran-6-sulfonic acid conjugate 1"	15	30	"InChI=1S/C68H97N15O10S2/c1-39-41(3)59(43(5)47-25-27-67(7,8)92-57(39)47)94(88,89)82-65(71)76-31-15-23-55(80-61(84)51(69)35-45-37-78-53-21-13-11-19-49(45)53)63(86)74-33-17-29-73-30-18-34-75-64(87)56(81-62(85)52(70)36-46-38-79-54-22-14-12-20-50(46)54)24-16-32-77-66(72)83-95(90,91)60-42(4)40(2)58-48(44(60)6)26-28-68(9,10)93-58/h11-14,19-22,37-38,51-52,55-56,73,78-79H,15-18,23-36,69-70H2,1-10H3,(H,74,86)(H,75,87)(H,80,84)(H,81,85)(H3,71,76,82)(H3,72,77,83)/t51-,52-,55-,56-/m0/s1"	Cc1c(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)C(=O)NCCCNCCCNC(=O)[C@H](CCCNC(=N)NS(=O)(=O)c2c(C)c(C)c3c(c2C)CCC(C)(C)O3)NC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)c(C)c2c1OC(C)(C)CC2	Cc1c(C)c(S(=O)(=O)NC(=N)NCCCC(NC(=O)C(N)Cc2c[nH]c3ccccc23)C(=O)NCCCNCCCNC(=O)C(CCCNC(=N)NS(=O)(=O)c2c(C)c(C)c3c(c2C)CCC(C)(C)O3)NC(=O)C(N)Cc2c[nH]c3ccccc23)c(C)c2c1OC(C)(C)CC2	ZTEFIMBSBJXAFZ-QUYIHLPQSA-N	.							
PDC_01687	"Dipeptide 40 - 3,4-dihydro-2,2,5,7,8-pentamethyl-2H-1-benzopyran-6-sulfonic acid conjugate"	12	28	"InChI=1S/C54H79N15O7S/c1-32-33(2)47(34(3)37-20-21-54(4,5)76-46(32)37)77(74,75)69-53(59)64-25-11-19-45(68-49(71)41(56)29-36-31-66-43-17-9-7-15-39(36)43)51(73)62-27-13-23-60-22-12-26-61-50(72)44(18-10-24-63-52(57)58)67-48(70)40(55)28-35-30-65-42-16-8-6-14-38(35)42/h6-9,14-17,30-31,40-41,44-45,60,65-66H,10-13,18-29,55-56H2,1-5H3,(H,61,72)(H,62,73)(H,67,70)(H,68,71)(H4,57,58,63)(H3,59,64,69)/t40-,41-,44-,45-/m0/s1"	Cc1c(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)C(=O)NCCCNCCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)c(C)c2c1OC(C)(C)CC2	Cc1c(C)c(S(=O)(=O)NC(=N)NCCCC(NC(=O)C(N)Cc2c[nH]c3ccccc23)C(=O)NCCCNCCCNC(=O)C(CCCNC(=N)N)NC(=O)C(N)Cc2c[nH]c3ccccc23)c(C)c2c1OC(C)(C)CC2	RDPALUWOIJLYQU-NIUFUXNMSA-N	.							
PDC_01688	"QRPAK - 1H-Imidazol-1-yloxy, 2-[4-(2-ethoxy-2-oxoethoxy)phenyl]-4,5-dihydro-4,4,5,5-tetramethyl-, 3-oxide conjugate"	12	24	"InChI=1S/C40H63N12O11/c1-23(32(55)49-28(37(59)60)10-6-7-19-41)46-34(57)29-12-9-21-50(29)36(58)27(11-8-20-45-38(43)44)48-33(56)26(17-18-30(42)53)47-31(54)22-63-25-15-13-24(14-16-25)35-51(61)39(2,3)40(4,5)52(35)62/h13-16,23,26-29H,6-12,17-22,41H2,1-5H3,(H2,42,53)(H,46,57)(H,47,54)(H,48,56)(H,49,55)(H,59,60)(H4,43,44,45)/t23-,26-,27-,28-,29-/m0/s1"	C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)COc1ccc(C2=[N+]([O-])C(C)(C)C(C)(C)N2[O])cc1)C(=O)N[C@@H](CCCCN)C(=O)O	CC(NC(=O)C1CCCN1C(=O)C(CCCNC(=N)N)NC(=O)C(CCC(N)=O)NC(=O)COc1ccc(C2=[N+]([O-])C(C)(C)C(C)(C)N2[O])cc1)C(=O)NC(CCCCN)C(=O)O	PDCSXUMGCJJJNQ-CPFNYCBMSA-N	.							
PDC_01689	"GRPAK - 1H-Imidazol-1-yloxy, 2-[4-(2-ethoxy-2-oxoethoxy)phenyl]-4,5-dihydro-4,4,5,5-tetramethyl-, 3-oxide conjugate"	11	21	"InChI=1S/C37H58N11O10/c1-22(30(51)45-26(34(54)55)10-6-7-17-38)43-31(52)27-12-9-19-46(27)33(53)25(11-8-18-41-35(39)40)44-28(49)20-42-29(50)21-58-24-15-13-23(14-16-24)32-47(56)36(2,3)37(4,5)48(32)57/h13-16,22,25-27H,6-12,17-21,38H2,1-5H3,(H,42,50)(H,43,52)(H,44,49)(H,45,51)(H,54,55)(H4,39,40,41)/t22-,25-,26-,27-/m0/s1"	C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)COc1ccc(C2=[N+]([O-])C(C)(C)C(C)(C)N2[O])cc1)C(=O)N[C@@H](CCCCN)C(=O)O	CC(NC(=O)C1CCCN1C(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)COc1ccc(C2=[N+]([O-])C(C)(C)C(C)(C)N2[O])cc1)C(=O)NC(CCCCN)C(=O)O	JXKSORNGAVAMRF-OXCFDMGDSA-N	.							
PDC_01690	"ARPAK - 1H-Imidazol-1-yloxy, 2-[4-(2-ethoxy-2-oxoethoxy)phenyl]-4,5-dihydro-4,4,5,5-tetramethyl-, 3-oxide conjugate"	11	21	"InChI=1S/C38H60N11O10/c1-22(43-29(50)21-59-25-16-14-24(15-17-25)33-48(57)37(3,4)38(5,6)49(33)58)30(51)45-26(12-9-19-42-36(40)41)34(54)47-20-10-13-28(47)32(53)44-23(2)31(52)46-27(35(55)56)11-7-8-18-39/h14-17,22-23,26-28H,7-13,18-21,39H2,1-6H3,(H,43,50)(H,44,53)(H,45,51)(H,46,52)(H,55,56)(H4,40,41,42)/t22-,23-,26-,27-,28-/m0/s1"	C[C@H](NC(=O)COc1ccc(C2=[N+]([O-])C(C)(C)C(C)(C)N2[O])cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)O	CC(NC(=O)COc1ccc(C2=[N+]([O-])C(C)(C)C(C)(C)N2[O])cc1)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(CCCCN)C(=O)O	OZFYQWOAVGWTHF-CINPPDSJSA-N	.							
PDC_01691	QRPAK - P-Tolylsulfonic acid conjugate 1	16	31	"InChI=1S/C62H81N12O15S/c1-40-24-30-46(31-25-40)90(85,86)71-59(64)65-35-15-22-48(69-54(78)47(32-33-51(63)75)68-52(76)39-87-45-28-26-44(27-29-45)56-73(83)61(3,4)62(5,6)74(56)84)57(80)72-36-16-23-50(72)55(79)67-41(2)53(77)70-49(58(81)88-37-42-17-9-7-10-18-42)21-13-14-34-66-60(82)89-38-43-19-11-8-12-20-43/h7-12,17-20,24-31,41,47-50H,13-16,21-23,32-39H2,1-6H3,(H2,63,75)(H,66,82)(H,67,79)(H,68,76)(H,69,78)(H,70,77)(H3,64,65,71)/t41-,47-,48-,49-,50-/m0/s1"	Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)COc2ccc(C3=[N+]([O-])C(C)(C)C(C)(C)N3[O])cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1	Cc1ccc(S(=O)(=O)NC(=N)NCCCC(NC(=O)C(CCC(N)=O)NC(=O)COc2ccc(C3=[N+]([O-])C(C)(C)C(C)(C)N3[O])cc2)C(=O)N2CCCC2C(=O)NC(C)C(=O)NC(CCCCNC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1	SWMWQXCVJOBFSM-SHQHHQQKSA-N	.							
PDC_01692	GRPAK - P-Tolylsulfonic acid conjugate 1	15	28	"InChI=1S/C59H76N11O14S/c1-39-24-30-45(31-25-39)85(80,81)67-56(60)61-33-15-22-46(65-49(71)35-63-50(72)38-82-44-28-26-43(27-29-44)53-69(78)58(3,4)59(5,6)70(53)79)54(75)68-34-16-23-48(68)52(74)64-40(2)51(73)66-47(55(76)83-36-41-17-9-7-10-18-41)21-13-14-32-62-57(77)84-37-42-19-11-8-12-20-42/h7-12,17-20,24-31,40,46-48H,13-16,21-23,32-38H2,1-6H3,(H,62,77)(H,63,72)(H,64,74)(H,65,71)(H,66,73)(H3,60,61,67)/t40-,46-,47-,48-/m0/s1"	Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)CNC(=O)COc2ccc(C3=[N+]([O-])C(C)(C)C(C)(C)N3[O])cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1	Cc1ccc(S(=O)(=O)NC(=N)NCCCC(NC(=O)CNC(=O)COc2ccc(C3=[N+]([O-])C(C)(C)C(C)(C)N3[O])cc2)C(=O)N2CCCC2C(=O)NC(C)C(=O)NC(CCCCNC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1	SHYUYNOBCHMHFQ-XGMRIRTBSA-N	.							
PDC_01693	ARPAK - P-Tolylsulfonic acid conjugate 1	15	28	"InChI=1S/C60H78N11O14S/c1-39-25-31-46(32-26-39)86(81,82)68-57(61)62-34-16-23-47(66-51(73)40(2)64-50(72)38-83-45-29-27-44(28-30-45)54-70(79)59(4,5)60(6,7)71(54)80)55(76)69-35-17-24-49(69)53(75)65-41(3)52(74)67-48(56(77)84-36-42-18-10-8-11-19-42)22-14-15-33-63-58(78)85-37-43-20-12-9-13-21-43/h8-13,18-21,25-32,40-41,47-49H,14-17,22-24,33-38H2,1-7H3,(H,63,78)(H,64,72)(H,65,75)(H,66,73)(H,67,74)(H3,61,62,68)/t40-,41-,47-,48-,49-/m0/s1"	Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)[C@H](C)NC(=O)COc2ccc(C3=[N+]([O-])C(C)(C)C(C)(C)N3[O])cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1	Cc1ccc(S(=O)(=O)NC(=N)NCCCC(NC(=O)C(C)NC(=O)COc2ccc(C3=[N+]([O-])C(C)(C)C(C)(C)N3[O])cc2)C(=O)N2CCCC2C(=O)NC(C)C(=O)NC(CCCCNC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1	XTGFLDMZTAKFJU-VQHRCLRDSA-N	.							
PDC_01694	QRPAK - P-Tolylsulfonic acid conjugate 2	13	26	"InChI=1S/C47H64N10O11S/c1-31-20-22-35(23-21-31)69(65,66)56-46(50)51-27-11-18-37(54-42(60)36(48)24-25-40(49)58)44(62)57-28-12-19-39(57)43(61)53-32(2)41(59)55-38(45(63)67-29-33-13-5-3-6-14-33)17-9-10-26-52-47(64)68-30-34-15-7-4-8-16-34/h3-8,13-16,20-23,32,36-39H,9-12,17-19,24-30,48H2,1-2H3,(H2,49,58)(H,52,64)(H,53,61)(H,54,60)(H,55,59)(H3,50,51,56)/t32-,36-,37-,38-,39-/m0/s1"	Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1	Cc1ccc(S(=O)(=O)NC(=N)NCCCC(NC(=O)C(N)CCC(N)=O)C(=O)N2CCCC2C(=O)NC(C)C(=O)NC(CCCCNC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1	MGIAWOHFNNWAIJ-WDGNWMIGSA-N	.							
PDC_01695	GRPAK - P-Tolylsulfonic acid conjugate	13	24	"InChI=1S/C49H67N9O12S/c1-33-23-25-37(26-24-33)71(66,67)57-46(50)51-28-14-21-38(55-41(59)30-53-48(65)70-49(3,4)5)44(62)58-29-15-22-40(58)43(61)54-34(2)42(60)56-39(45(63)68-31-35-16-8-6-9-17-35)20-12-13-27-52-47(64)69-32-36-18-10-7-11-19-36/h6-11,16-19,23-26,34,38-40H,12-15,20-22,27-32H2,1-5H3,(H,52,64)(H,53,65)(H,54,61)(H,55,59)(H,56,60)(H3,50,51,57)/t34-,38-,39-,40-/m0/s1"	Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1	Cc1ccc(S(=O)(=O)NC(=N)NCCCC(NC(=O)CNC(=O)OC(C)(C)C)C(=O)N2CCCC2C(=O)NC(C)C(=O)NC(CCCCNC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1	LSKCMMOJMINVNP-FRFJAYIASA-N	.							
PDC_01696	QRPAK - P-Tolylsulfonic acid conjugate 3	14	27	"InChI=1S/C52H72N10O13S/c1-34-23-25-38(26-24-34)76(71,72)61-49(54)55-30-14-21-40(58-45(65)39(27-28-43(53)63)60-51(70)75-52(3,4)5)47(67)62-31-15-22-42(62)46(66)57-35(2)44(64)59-41(48(68)73-32-36-16-8-6-9-17-36)20-12-13-29-56-50(69)74-33-37-18-10-7-11-19-37/h6-11,16-19,23-26,35,39-42H,12-15,20-22,27-33H2,1-5H3,(H2,53,63)(H,56,69)(H,57,66)(H,58,65)(H,59,64)(H,60,70)(H3,54,55,61)/t35-,39-,40-,41-,42-/m0/s1"	Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1	Cc1ccc(S(=O)(=O)NC(=N)NCCCC(NC(=O)C(CCC(N)=O)NC(=O)OC(C)(C)C)C(=O)N2CCCC2C(=O)NC(C)C(=O)NC(CCCCNC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1	PYTHUHVYIXOPFQ-QZSSTNKRSA-N	.							
PDC_01697	ARPAK - P-Tolylsulfonic acid conjugate2	13	24	"InChI=1S/C50H69N9O12S/c1-33-24-26-38(27-25-33)72(67,68)58-47(51)52-29-15-22-39(56-43(61)35(3)55-49(66)71-50(4,5)6)45(63)59-30-16-23-41(59)44(62)54-34(2)42(60)57-40(46(64)69-31-36-17-9-7-10-18-36)21-13-14-28-53-48(65)70-32-37-19-11-8-12-20-37/h7-12,17-20,24-27,34-35,39-41H,13-16,21-23,28-32H2,1-6H3,(H,53,65)(H,54,62)(H,55,66)(H,56,61)(H,57,60)(H3,51,52,58)/t34-,35-,39-,40-,41-/m0/s1"	Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1	Cc1ccc(S(=O)(=O)NC(=N)NCCCC(NC(=O)C(C)NC(=O)OC(C)(C)C)C(=O)N2CCCC2C(=O)NC(C)C(=O)NC(CCCCNC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1	AYUCCTQDTCPJHX-VSZRDHICSA-N	.							
PDC_01698	RPAK - P-Tolylsulfonic acid conjugate	12	22	"InChI=1S/C47H64N8O11S/c1-32-23-25-36(26-24-32)67(62,63)54-44(48)49-28-14-21-37(53-46(61)66-47(3,4)5)42(58)55-29-15-22-39(55)41(57)51-33(2)40(56)52-38(43(59)64-30-34-16-8-6-9-17-34)20-12-13-27-50-45(60)65-31-35-18-10-7-11-19-35/h6-11,16-19,23-26,33,37-39H,12-15,20-22,27-31H2,1-5H3,(H,50,60)(H,51,57)(H,52,56)(H,53,61)(H3,48,49,54)/t33-,37-,38-,39-/m0/s1"	Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1	Cc1ccc(S(=O)(=O)NC(=N)NCCCC(NC(=O)OC(C)(C)C)C(=O)N2CCCC2C(=O)NC(C)C(=O)NC(CCCCNC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1	MVCSRBDATWOSFN-DUIJGEPASA-N	.							
PDC_01699	"NAQASAQSAY - 5-(4-Aminophenyl)-10,15,20-triphenylporphyrin conjugate"	21	42	"InChI=1S/C131H122N22O17/c1-72(135-129(168)108(69-111(132)158)138-76(5)156)123(162)149-105(64-66-112(159)139-86-42-38-84(39-43-86)120-101-60-56-97(145-101)116(80-28-16-8-17-29-80)93-52-48-89(141-93)114(78-24-12-6-13-25-78)90-49-53-94(142-90)117(81-30-18-9-19-31-81)98-57-61-102(120)146-98)127(166)134-75(4)126(165)152-109(70-154)130(169)136-73(2)124(163)150-106(128(167)153-110(71-155)131(170)137-74(3)125(164)151-107(122(133)161)68-77-36-46-88(157)47-37-77)65-67-113(160)140-87-44-40-85(41-45-87)121-103-62-58-99(147-103)118(82-32-20-10-21-33-82)95-54-50-91(143-95)115(79-26-14-7-15-27-79)92-51-55-96(144-92)119(83-34-22-11-23-35-83)100-59-63-104(121)148-100/h6-63,72-75,105-110,145-148,154-155,157H,64-71H2,1-5H3,(H2,132,158)(H2,133,161)(H,134,166)(H,135,168)(H,136,169)(H,137,170)(H,138,156)(H,139,159)(H,140,160)(H,149,162)(H,150,163)(H,151,164)(H,152,165)(H,153,167)/t72-,73-,74-,75-,105-,106-,107-,108-,109-,110-/m0/s1"	CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O	CC(=O)NC(CC(N)=O)C(=O)NC(C)C(=O)NC(CCC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(C)C(=O)NC(CCC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)NC(CO)C(=O)NC(C)C(=O)NC(Cc1ccc(O)cc1)C(N)=O	BTEVLBWWVNPJHA-VIZJHETGSA-N	.							
PDC_01700	Oligovalin 1 - ()-Menthol conjugate	12	31	"InChI=1S/C60H110N10O11/c1-27(2)39-25-24-38(23)26-40(39)81-60(80)50(37(21)22)70-59(79)49(36(19)20)69-58(78)48(35(17)18)68-57(77)47(34(15)16)67-56(76)46(33(13)14)66-55(75)45(32(11)12)65-54(74)44(31(9)10)64-53(73)43(30(7)8)63-52(72)42(29(5)6)62-51(71)41(61)28(3)4/h27-50H,24-26,61H2,1-23H3,(H,62,71)(H,63,72)(H,64,73)(H,65,74)(H,66,75)(H,67,76)(H,68,77)(H,69,78)(H,70,79)/t38-,39+,40-,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+/m1/s1"	CC(C)[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C	CC1CCC(C(C)C)C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C1	GNEFGWRLQFGUGC-UHKWWPPMSA-N	.							
PDC_01701	Oligovalin 2 - ()-Menthol conjugate	9	22	"InChI=1S/C45H83N7O8/c1-21(2)30-19-18-29(17)20-31(30)60-45(59)38(28(15)16)52-44(58)37(27(13)14)51-43(57)36(26(11)12)50-42(56)35(25(9)10)49-41(55)34(24(7)8)48-40(54)33(23(5)6)47-39(53)32(46)22(3)4/h21-38H,18-20,46H2,1-17H3,(H,47,53)(H,48,54)(H,49,55)(H,50,56)(H,51,57)(H,52,58)/t29-,30+,31-,32+,33+,34+,35+,36+,37+,38+/m1/s1"	CC(C)[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C	CC1CCC(C(C)C)C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C1	YLLBEQVZJAWICO-MDEMSDCJSA-N	.							
PDC_01702	Oligovalin 3 - ()-Menthol conjugate	8	19	"InChI=1S/C40H74N6O7/c1-19(2)27-17-16-26(15)18-28(27)53-40(52)34(25(13)14)46-39(51)33(24(11)12)45-38(50)32(23(9)10)44-37(49)31(22(7)8)43-36(48)30(21(5)6)42-35(47)29(41)20(3)4/h19-34H,16-18,41H2,1-15H3,(H,42,47)(H,43,48)(H,44,49)(H,45,50)(H,46,51)/t26-,27+,28-,29+,30+,31+,32+,33+,34+/m1/s1"	CC(C)[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C	CC1CCC(C(C)C)C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C1	SVYJYYGWUSQKKP-SMEXBBOUSA-N	.							
PDC_01703	Oligovalin 4 - ()-Menthol conjugate	7	16	"InChI=1S/C35H65N5O6/c1-17(2)24-15-14-23(13)16-25(24)46-35(45)30(22(11)12)40-34(44)29(21(9)10)39-33(43)28(20(7)8)38-32(42)27(19(5)6)37-31(41)26(36)18(3)4/h17-30H,14-16,36H2,1-13H3,(H,37,41)(H,38,42)(H,39,43)(H,40,44)/t23-,24+,25-,26+,27+,28+,29+,30+/m1/s1"	CC(C)[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)C(C)C)C(C)C)C(C)C)C(C)C	CC1CCC(C(C)C)C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C1	KKDVNPGYFTVPHR-CQEAMRFSSA-N	.							
PDC_01704	Oligovalin 5 - ()-Menthol conjugate	6	13	"InChI=1S/C30H56N4O5/c1-15(2)21-13-12-20(11)14-22(21)39-30(38)26(19(9)10)34-29(37)25(18(7)8)33-28(36)24(17(5)6)32-27(35)23(31)16(3)4/h15-26H,12-14,31H2,1-11H3,(H,32,35)(H,33,36)(H,34,37)/t20-,21+,22-,23+,24+,25+,26+/m1/s1"	CC(C)[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)C(C)C)C(C)C)C(C)C	CC1CCC(C(C)C)C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C(C)C)C(C)C)C(C)C)C(C)C)C1	CILLOYNDGIZZCD-ZZMGWDEJSA-N	.							
PDC_01705	Oligovalin 6 - ()-Menthol conjugate	5	10	"InChI=1S/C25H47N3O4/c1-13(2)18-11-10-17(9)12-19(18)32-25(31)22(16(7)8)28-24(30)21(15(5)6)27-23(29)20(26)14(3)4/h13-22H,10-12,26H2,1-9H3,(H,27,29)(H,28,30)/t17-,18+,19-,20+,21+,22+/m1/s1"	CC(C)[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)C(C)C)C(C)C	CC1CCC(C(C)C)C(OC(=O)C(NC(=O)C(NC(=O)C(N)C(C)C)C(C)C)C(C)C)C1	YYLLQRUFBUUWKC-CIQOUTPZSA-N	.							
PDC_01706	Oligoleucin 1 - Cinchonidine conjugate	11	31	"InChI=1S/C61H99N9O8/c1-16-41-33-70-24-22-42(41)32-53(70)54(44-21-23-63-46-20-18-17-19-43(44)46)78-61(77)52(31-40(14)15)69-60(76)51(30-39(12)13)68-59(75)50(29-38(10)11)67-58(74)49(28-37(8)9)66-57(73)48(27-36(6)7)65-56(72)47(26-35(4)5)64-55(71)45(62)25-34(2)3/h16-21,23,34-42,45,47-54H,1,22,24-33,62H2,2-15H3,(H,64,71)(H,65,72)(H,66,73)(H,67,74)(H,68,75)(H,69,76)/t41-,42-,45-,47-,48-,49-,50-,51-,52-,53-,54+/m0/s1"	C=C[C@H]1C[N@@]2CC[C@H]1C[C@H]2[C@H](OC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)c1ccnc2ccccc12	C=CC1CN2CCC1CC2C(OC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(N)CC(C)C)c1ccnc2ccccc12	MLAKPTSHJUTOGD-JAVVDUMHSA-N	.							
PDC_01707	Oligoleucin 2 - Cinchonidine conjugate	10	27	"InChI=1S/C55H88N8O7/c1-14-37-30-63-22-20-38(37)29-48(63)49(40-19-21-57-42-18-16-15-17-39(40)42)70-55(69)47(28-36(12)13)62-54(68)46(27-35(10)11)61-53(67)45(26-34(8)9)60-52(66)44(25-33(6)7)59-51(65)43(24-32(4)5)58-50(64)41(56)23-31(2)3/h14-19,21,31-38,41,43-49H,1,20,22-30,56H2,2-13H3,(H,58,64)(H,59,65)(H,60,66)(H,61,67)(H,62,68)/t37-,38-,41-,43-,44-,45-,46-,47-,48-,49+/m0/s1"	C=C[C@H]1C[N@@]2CC[C@H]1C[C@H]2[C@H](OC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)c1ccnc2ccccc12	C=CC1CN2CCC1CC2C(OC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(N)CC(C)C)c1ccnc2ccccc12	SSNAOALWAMXKCZ-XXJOVIHASA-N	.							
PDC_01708	Oligoleucin 3 - Cinchonidine conjugate	9	23	"InChI=1S/C49H77N7O6/c1-12-33-27-56-20-18-34(33)26-43(56)44(36-17-19-51-38-16-14-13-15-35(36)38)62-49(61)42(25-32(10)11)55-48(60)41(24-31(8)9)54-47(59)40(23-30(6)7)53-46(58)39(22-29(4)5)52-45(57)37(50)21-28(2)3/h12-17,19,28-34,37,39-44H,1,18,20-27,50H2,2-11H3,(H,52,57)(H,53,58)(H,54,59)(H,55,60)/t33-,34-,37-,39-,40-,41-,42-,43-,44+/m0/s1"	C=C[C@H]1C[N@@]2CC[C@H]1C[C@H]2[C@H](OC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)c1ccnc2ccccc12	C=CC1CN2CCC1CC2C(OC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(N)CC(C)C)c1ccnc2ccccc12	MAQNDRJESTVXAN-ZTBKNZKBSA-N	.							
PDC_01709	Oligoleucin 4 - ()-Menthol conjugate	12	41	"InChI=1S/C70H130N10O11/c1-37(2)26-50(71)61(81)72-51(27-38(3)4)62(82)73-52(28-39(5)6)63(83)74-53(29-40(7)8)64(84)75-54(30-41(9)10)65(85)76-55(31-42(11)12)66(86)77-56(32-43(13)14)67(87)78-57(33-44(15)16)68(88)79-58(34-45(17)18)69(89)80-59(35-46(19)20)70(90)91-60-36-48(23)24-25-49(60)47(21)22/h37-60H,24-36,71H2,1-23H3,(H,72,81)(H,73,82)(H,74,83)(H,75,84)(H,76,85)(H,77,86)(H,78,87)(H,79,88)(H,80,89)/t48-,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60-/m1/s1"	CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C	CC(C)CC(N)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)OC1CC(C)CCC1C(C)C	FWGXGASNMUAXJF-MGEIRPAHSA-N	.							
PDC_01710	Oligoleucin 5 - ()-Menthol conjugate	10	33	"InChI=1S/C58H108N8O9/c1-31(2)22-42(59)51(67)60-43(23-32(3)4)52(68)61-44(24-33(5)6)53(69)62-45(25-34(7)8)54(70)63-46(26-35(9)10)55(71)64-47(27-36(11)12)56(72)65-48(28-37(13)14)57(73)66-49(29-38(15)16)58(74)75-50-30-40(19)20-21-41(50)39(17)18/h31-50H,20-30,59H2,1-19H3,(H,60,67)(H,61,68)(H,62,69)(H,63,70)(H,64,71)(H,65,72)(H,66,73)/t40-,41+,42+,43+,44+,45+,46+,47+,48+,49+,50-/m1/s1"	CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C	CC(C)CC(N)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)OC1CC(C)CCC1C(C)C	XKXUJPXRSYXZRV-LFNHTOGWSA-N	.							
PDC_01711	Oligoleucin 2 - ()-Menthol conjugate	8	25	"InChI=1S/C46H86N6O7/c1-25(2)18-34(47)41(53)48-35(19-26(3)4)42(54)49-36(20-27(5)6)43(55)50-37(21-28(7)8)44(56)51-38(22-29(9)10)45(57)52-39(23-30(11)12)46(58)59-40-24-32(15)16-17-33(40)31(13)14/h25-40H,16-24,47H2,1-15H3,(H,48,53)(H,49,54)(H,50,55)(H,51,56)(H,52,57)/t32-,33+,34+,35+,36+,37+,38+,39+,40-/m1/s1"	CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C	CC(C)CC(N)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)OC1CC(C)CCC1C(C)C	RHBPYDKUNHKGPL-VVFKWLSJSA-N	.							
PDC_01712	Oligoleucin 6 - ()-Menthol conjugate	6	17	"InChI=1S/C34H64N4O5/c1-19(2)14-26(35)31(39)36-27(15-20(3)4)32(40)37-28(16-21(5)6)33(41)38-29(17-22(7)8)34(42)43-30-18-24(11)12-13-25(30)23(9)10/h19-30H,12-18,35H2,1-11H3,(H,36,39)(H,37,40)(H,38,41)/t24-,25+,26+,27+,28+,29+,30-/m1/s1"	CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C	CC(C)CC(N)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)OC1CC(C)CCC1C(C)C	LWXOOXLVCAFYLO-UDHROHSDSA-N	.							
PDC_01713	Oligophenylalanin 1 - Cinchonidine conjugate	11	31	"InChI=1S/C82H85N9O8/c1-2-62-54-91-45-43-63(62)53-74(91)75(65-42-44-84-67-41-25-24-40-64(65)67)99-82(98)73(52-61-38-22-9-23-39-61)90-81(97)72(51-60-36-20-8-21-37-60)89-80(96)71(50-59-34-18-7-19-35-59)88-79(95)70(49-58-32-16-6-17-33-58)87-78(94)69(48-57-30-14-5-15-31-57)86-77(93)68(47-56-28-12-4-13-29-56)85-76(92)66(83)46-55-26-10-3-11-27-55/h2-42,44,62-63,66,68-75H,1,43,45-54,83H2,(H,85,92)(H,86,93)(H,87,94)(H,88,95)(H,89,96)(H,90,97)/t62-,63-,66-,68-,69-,70-,71-,72-,73-,74-,75+/m0/s1"	C=C[C@H]1C[N@@]2CC[C@H]1C[C@H]2[C@H](OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)c1ccnc2ccccc12	C=CC1CN2CCC1CC2C(OC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C(N)Cc1ccccc1)c1ccnc2ccccc12	UTNCDZYZZAFKFZ-UPJQBQMFSA-N	.							
PDC_01714	Oligophenylalanin 2 - Cinchonidine conjugate	10	27	"InChI=1S/C73H76N8O7/c1-2-55-48-81-40-38-56(55)47-66(81)67(58-37-39-75-60-36-22-21-35-57(58)60)88-73(87)65(46-54-33-19-8-20-34-54)80-72(86)64(45-53-31-17-7-18-32-53)79-71(85)63(44-52-29-15-6-16-30-52)78-70(84)62(43-51-27-13-5-14-28-51)77-69(83)61(42-50-25-11-4-12-26-50)76-68(82)59(74)41-49-23-9-3-10-24-49/h2-37,39,55-56,59,61-67H,1,38,40-48,74H2,(H,76,82)(H,77,83)(H,78,84)(H,79,85)(H,80,86)/t55-,56-,59-,61-,62-,63-,64-,65-,66-,67+/m0/s1"	C=C[C@H]1C[N@@]2CC[C@H]1C[C@H]2[C@H](OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)c1ccnc2ccccc12	C=CC1CN2CCC1CC2C(OC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C(N)Cc1ccccc1)c1ccnc2ccccc12	FUMHYXPKMVVRQF-STWLHFEQSA-N	.							
PDC_01715	Oligophenylalanin 3 - Cinchonidine conjugate	9	23	"InChI=1S/C64H67N7O6/c1-2-48-42-71-35-33-49(48)41-58(71)59(51-32-34-66-53-31-19-18-30-50(51)53)77-64(76)57(40-47-28-16-7-17-29-47)70-63(75)56(39-46-26-14-6-15-27-46)69-62(74)55(38-45-24-12-5-13-25-45)68-61(73)54(37-44-22-10-4-11-23-44)67-60(72)52(65)36-43-20-8-3-9-21-43/h2-32,34,48-49,52,54-59H,1,33,35-42,65H2,(H,67,72)(H,68,73)(H,69,74)(H,70,75)/t48-,49-,52-,54-,55-,56-,57-,58-,59+/m0/s1"	C=C[C@H]1C[N@@]2CC[C@H]1C[C@H]2[C@H](OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)c1ccnc2ccccc12	C=CC1CN2CCC1CC2C(OC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C(N)Cc1ccccc1)c1ccnc2ccccc12	AWHHLFMGYPRYBC-YONRVICDSA-N	.							
PDC_01716	Oligophenylalanin 4 - Cinchonidine conjugate	8	19	"InChI=1S/C55H58N6O5/c1-2-41-36-61-30-28-42(41)35-50(61)51(44-27-29-57-46-26-16-15-25-43(44)46)66-55(65)49(34-40-23-13-6-14-24-40)60-54(64)48(33-39-21-11-5-12-22-39)59-53(63)47(32-38-19-9-4-10-20-38)58-52(62)45(56)31-37-17-7-3-8-18-37/h2-27,29,41-42,45,47-51H,1,28,30-36,56H2,(H,58,62)(H,59,63)(H,60,64)/t41-,42-,45-,47-,48-,49-,50-,51+/m0/s1"	C=C[C@H]1C[N@]2CC[C@H]1C[C@H]2[C@H](OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)c1ccnc2ccccc12	C=CC1CN2CCC1CC2C(OC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C(N)Cc1ccccc1)c1ccnc2ccccc12	CHHTYBCIZDWXNM-OCEUJDBOSA-N	.							
PDC_01717	Oligophenylalanin 5 - Cinchonidine conjugate	7	15	"InChI=1S/C46H49N5O4/c1-2-34-30-51-25-23-35(34)29-42(51)43(37-22-24-48-39-21-13-12-20-36(37)39)55-46(54)41(28-33-18-10-5-11-19-33)50-45(53)40(27-32-16-8-4-9-17-32)49-44(52)38(47)26-31-14-6-3-7-15-31/h2-22,24,34-35,38,40-43H,1,23,25-30,47H2,(H,49,52)(H,50,53)/t34-,35-,38-,40-,41-,42-,43+/m0/s1"	C=C[C@H]1C[N@]2CC[C@H]1C[C@H]2[C@H](OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)c1ccnc2ccccc12	C=CC1CN2CCC1CC2C(OC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C(N)Cc1ccccc1)c1ccnc2ccccc12	ZYUMYJXSIBWEID-YONZLOSYSA-N	.							
PDC_01718	XGRKKRRQRRR - Rose bengal (xanthene dye) conjugate	26	62	"InChI=1S/C82H131N33O18/c83-31-5-3-14-53(109-67(123)52(17-9-35-101-77(89)90)107-64(120)43-106-63(119)22-2-1-7-33-99-66(122)44-23-26-47-50(40-44)82(133-75(47)131)48-27-24-45(116)41-60(48)132-61-42-46(117)25-28-49(61)82)69(125)110-54(15-4-6-32-84)70(126)112-56(19-11-37-103-79(93)94)71(127)113-58(21-13-39-105-81(97)98)73(129)115-59(29-30-62(85)118)74(130)114-57(20-12-38-104-80(95)96)72(128)111-55(18-10-36-102-78(91)92)68(124)108-51(65(86)121)16-8-34-100-76(87)88/h23-28,40-42,51-59,116-117H,1-22,29-39,43,83-84H2,(H2,85,118)(H2,86,121)(H,99,122)(H,106,119)(H,107,120)(H,108,124)(H,109,123)(H,110,125)(H,111,128)(H,112,126)(H,113,127)(H,114,130)(H,115,129)(H4,87,88,100)(H4,89,90,101)(H4,91,92,102)(H4,93,94,103)(H4,95,96,104)(H4,97,98,105)/t51-,52-,53-,54-,55-,56-,57-,58-,59-/m0/s1"	N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CCCCCNC(=O)c1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21)C(N)=O	N=C(N)NCCCC(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(N)=O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)CCCCCNC(=O)c1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21)C(N)=O	OOXDEIAMCQJBDR-CHSOLAMVSA-N	.							
PDC_01719	QRKKRRWRRR - Rose bengal (xanthene dye) conjugate	25	65	"InChI=1S/C90H129Cl4I4N33O17/c91-64-62(61-44-39-46(95)70(134)68(97)72(44)148-73-45(61)40-47(96)71(135)69(73)98)63(65(92)67(94)66(64)93)84(146)147-37-9-1-2-26-60(133)122-57(27-28-59(101)132)82(144)129-54(23-13-34-118-88(109)110)78(140)125-50(18-5-7-29-99)76(138)124-51(19-6-8-30-100)77(139)127-53(22-12-33-117-87(107)108)79(141)128-56(25-15-36-120-90(113)114)81(143)131-58(38-42-41-121-48-17-4-3-16-43(42)48)83(145)130-55(24-14-35-119-89(111)112)80(142)126-52(21-11-32-116-86(105)106)75(137)123-49(74(102)136)20-10-31-115-85(103)104/h3-4,16-17,39-41,49-58,121,134H,1-2,5-15,18-38,99-100H2,(H2,101,132)(H2,102,136)(H,122,133)(H,123,137)(H,124,138)(H,125,140)(H,126,142)(H,127,139)(H,128,141)(H,129,144)(H,130,145)(H,131,143)(H4,103,104,115)(H4,105,106,116)(H4,107,108,117)(H4,109,110,118)(H4,111,112,119)(H4,113,114,120)/t49-,50-,51-,52-,53-,54-,55-,56-,57-,58-/m0/s1"	N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCCCOC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c(O)c(I)cc12)C(N)=O	N=C(N)NCCCC(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(N)=O)NC(=O)CCCCCOC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c(O)c(I)cc12)C(N)=O	JNXWFLQHAUZLMZ-CSXZFWIZSA-N	.							
PDC_01720	QRKKRRHRRR - Rose bengal (xanthene dye) conjugate	26	65	"InChI=1S/C85H126Cl4I4N34O17/c86-59-57(56-40-35-42(90)65(130)63(92)67(40)144-68-41(56)36-43(91)66(131)64(68)93)58(60(87)62(89)61(59)88)79(142)143-33-7-1-2-22-55(129)118-52(23-24-54(96)128)77(140)125-49(19-11-30-114-83(104)105)73(136)121-45(14-3-5-25-94)71(134)120-46(15-4-6-26-95)72(135)123-48(18-10-29-113-82(102)103)74(137)124-51(21-13-32-116-85(108)109)76(139)127-53(34-39-37-110-38-117-39)78(141)126-50(20-12-31-115-84(106)107)75(138)122-47(17-9-28-112-81(100)101)70(133)119-44(69(97)132)16-8-27-111-80(98)99/h35-38,44-53,130H,1-34,94-95H2,(H2,96,128)(H2,97,132)(H,110,117)(H,118,129)(H,119,133)(H,120,134)(H,121,136)(H,122,138)(H,123,135)(H,124,137)(H,125,140)(H,126,141)(H,127,139)(H4,98,99,111)(H4,100,101,112)(H4,102,103,113)(H4,104,105,114)(H4,106,107,115)(H4,108,109,116)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1"	N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCCCOC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c(O)c(I)cc12)C(N)=O	N=C(N)NCCCC(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(N)=O)NC(=O)CCCCCOC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c(O)c(I)cc12)C(N)=O	QKYKZLHORAPJCA-XBJFMILWSA-N	.							
PDC_01721	QRKKRRGRRR - Rose bengal (xanthene dye) conjugate	25	63	"InChI=1S/C81H122Cl4I4N32O17/c82-56-54(53-37-34-39(86)62(125)60(88)64(37)138-65-38(53)35-40(87)63(126)61(65)89)55(57(83)59(85)58(56)84)75(136)137-33-7-1-2-22-51(123)113-49(23-24-50(92)122)74(135)121-48(21-13-32-111-81(104)105)73(134)118-44(14-3-5-25-90)70(131)117-45(15-4-6-26-91)71(132)120-47(20-12-31-110-80(102)103)72(133)116-42(17-9-28-107-77(96)97)67(128)112-36-52(124)114-43(18-10-29-108-78(98)99)68(129)119-46(19-11-30-109-79(100)101)69(130)115-41(66(93)127)16-8-27-106-76(94)95/h34-35,41-49,125H,1-33,36,90-91H2,(H2,92,122)(H2,93,127)(H,112,128)(H,113,123)(H,114,124)(H,115,130)(H,116,133)(H,117,131)(H,118,134)(H,119,129)(H,120,132)(H,121,135)(H4,94,95,106)(H4,96,97,107)(H4,98,99,108)(H4,100,101,109)(H4,102,103,110)(H4,104,105,111)/t41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1"	N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCCCOC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c(O)c(I)cc12)C(N)=O	N=C(N)NCCCC(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(N)=O)NC(=O)CCCCCOC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c(O)c(I)cc12)C(N)=O	OHCZINXQVCCWAM-IAUAMBRNSA-N	.							
PDC_01722	GRKKRRQRRR - Rose bengal (xanthene dye) conjugate	25	63	"InChI=1S/C81H122Cl4I4N32O17/c82-56-54(53-37-34-39(86)62(125)60(88)64(37)138-65-38(53)35-40(87)63(126)61(65)89)55(57(83)59(85)58(56)84)75(136)137-33-7-1-2-22-51(123)112-36-52(124)113-42(17-9-28-107-77(96)97)67(128)115-43(14-3-5-25-90)69(130)116-44(15-4-6-26-91)70(131)118-46(19-11-30-109-79(100)101)71(132)119-48(21-13-32-111-81(104)105)73(134)121-49(23-24-50(92)122)74(135)120-47(20-12-31-110-80(102)103)72(133)117-45(18-10-29-108-78(98)99)68(129)114-41(66(93)127)16-8-27-106-76(94)95/h34-35,41-49,125H,1-33,36,90-91H2,(H2,92,122)(H2,93,127)(H,112,123)(H,113,124)(H,114,129)(H,115,128)(H,116,130)(H,117,133)(H,118,131)(H,119,132)(H,120,135)(H,121,134)(H4,94,95,106)(H4,96,97,107)(H4,98,99,108)(H4,100,101,109)(H4,102,103,110)(H4,104,105,111)/t41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1"	N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CCCCCOC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c(O)c(I)cc12)C(N)=O	N=C(N)NCCCC(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(N)=O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)CCCCCOC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c(O)c(I)cc12)C(N)=O	AJJAXNIJQQJFQV-IAUAMBRNSA-N	.							
PDC_01723	HRKKRRQRRR - Rose bengal (xanthene dye) conjugate	26	65	"InChI=1S/C85H126Cl4I4N34O17/c86-59-57(56-40-35-42(90)65(130)63(92)67(40)144-68-41(56)36-43(91)66(131)64(68)93)58(60(87)62(89)61(59)88)79(142)143-33-7-1-2-22-55(129)118-53(34-39-37-110-38-117-39)78(141)126-51(21-13-32-116-85(108)109)75(138)121-45(14-3-5-25-94)71(134)120-46(15-4-6-26-95)72(135)123-48(18-10-29-113-82(102)103)73(136)124-50(20-12-31-115-84(106)107)76(139)127-52(23-24-54(96)128)77(140)125-49(19-11-30-114-83(104)105)74(137)122-47(17-9-28-112-81(100)101)70(133)119-44(69(97)132)16-8-27-111-80(98)99/h35-38,44-53,130H,1-34,94-95H2,(H2,96,128)(H2,97,132)(H,110,117)(H,118,129)(H,119,133)(H,120,134)(H,121,138)(H,122,137)(H,123,135)(H,124,136)(H,125,140)(H,126,141)(H,127,139)(H4,98,99,111)(H4,100,101,112)(H4,102,103,113)(H4,104,105,114)(H4,106,107,115)(H4,108,109,116)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1"	N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCCCOC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c(O)c(I)cc12)C(N)=O	N=C(N)NCCCC(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(N)=O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(Cc1cnc[nH]1)NC(=O)CCCCCOC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c(O)c(I)cc12)C(N)=O	GKCRCELLEJGVFQ-XBJFMILWSA-N	.							
PDC_01724	WRKKRRQRRR - Rose bengal (xanthene dye) conjugate	25	65	"InChI=1S/C90H129Cl4I4N33O17/c91-64-62(61-44-39-46(95)70(134)68(97)72(44)148-73-45(61)40-47(96)71(135)69(73)98)63(65(92)67(94)66(64)93)84(146)147-37-9-1-2-26-60(133)122-58(38-42-41-121-48-17-4-3-16-43(42)48)83(145)130-56(25-15-36-120-90(113)114)80(142)125-50(18-5-7-29-99)76(138)124-51(19-6-8-30-100)77(139)127-53(22-12-33-117-87(107)108)78(140)128-55(24-14-35-119-89(111)112)81(143)131-57(27-28-59(101)132)82(144)129-54(23-13-34-118-88(109)110)79(141)126-52(21-11-32-116-86(105)106)75(137)123-49(74(102)136)20-10-31-115-85(103)104/h3-4,16-17,39-41,49-58,121,134H,1-2,5-15,18-38,99-100H2,(H2,101,132)(H2,102,136)(H,122,133)(H,123,137)(H,124,138)(H,125,142)(H,126,141)(H,127,139)(H,128,140)(H,129,144)(H,130,145)(H,131,143)(H4,103,104,115)(H4,105,106,116)(H4,107,108,117)(H4,109,110,118)(H4,111,112,119)(H4,113,114,120)/t49-,50-,51-,52-,53-,54-,55-,56-,57-,58-/m0/s1"	N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCCOC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c(O)c(I)cc12)C(N)=O	N=C(N)NCCCC(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(N)=O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCCCCOC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c(O)c(I)cc12)C(N)=O	GWQKSCZBXBBDRL-CSXZFWIZSA-N	.							
PDC_01725	"Tripeptide 90 - 2-[(3,6-Dihydroxy-2,4-dimethoxyphenyl)thio]acetic acid conjugate"	17	26	"InChI=1S/C38H57N7O14S2/c1-19(2)28(36(53)44-21(37(54)59-7)12-10-14-42-38(39)40)45-35(52)20(43-27(49)18-61-34-23(47)16-25(56-4)30(51)32(34)58-6)11-8-9-13-41-26(48)17-60-33-22(46)15-24(55-3)29(50)31(33)57-5/h15-16,19-21,28,46-47,50-51H,8-14,17-18H2,1-7H3,(H,41,48)(H,43,49)(H,44,53)(H,45,52)(H4,39,40,42)/t20-,21-,28-/m0/s1"	COC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(=O)CSc1c(O)cc(OC)c(O)c1OC)NC(=O)CSc1c(O)cc(OC)c(O)c1OC)C(C)C	COC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(CCCCNC(=O)CSc1c(O)cc(OC)c(O)c1OC)NC(=O)CSc1c(O)cc(OC)c(O)c1OC)C(C)C	OUGUACPHOABTCT-CZBREUMFSA-N	.							
PDC_01726	"Tripeptide 91 - 2-[(3,6-Dihydroxy-2,4-dimethoxyphenyl)thio]acetic acid conjugate"	17	27	"InChI=1S/C39H59N7O14S2/c1-8-20(2)29(37(54)45-22(38(55)60-7)13-11-15-43-39(40)41)46-36(53)21(44-28(50)19-62-35-24(48)17-26(57-4)31(52)33(35)59-6)12-9-10-14-42-27(49)18-61-34-23(47)16-25(56-3)30(51)32(34)58-5/h16-17,20-22,29,47-48,51-52H,8-15,18-19H2,1-7H3,(H,42,49)(H,44,50)(H,45,54)(H,46,53)(H4,40,41,43)/t20-,21-,22-,29-/m0/s1"	CC[C@H](C)[C@H](NC(=O)[C@H](CCCCNC(=O)CSc1c(O)cc(OC)c(O)c1OC)NC(=O)CSc1c(O)cc(OC)c(O)c1OC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)OC	CCC(C)C(NC(=O)C(CCCCNC(=O)CSc1c(O)cc(OC)c(O)c1OC)NC(=O)CSc1c(O)cc(OC)c(O)c1OC)C(=O)NC(CCCNC(=N)N)C(=O)OC	OECUZAPDUADRKB-BNXGODSSSA-N	.							
PDC_01727	"Tripeptide 92 - 2-[(3,6-Dihydroxy-2,4-dimethoxyphenyl)thio]acetic acid conjugate"	17	27	"InChI=1S/C42H57N7O14S2/c1-59-29-19-27(50)37(35(61-3)33(29)54)64-21-31(52)45-16-10-9-14-24(47-32(53)22-65-38-28(51)20-30(60-2)34(55)36(38)62-4)39(56)49-26(18-23-12-7-6-8-13-23)40(57)48-25(41(58)63-5)15-11-17-46-42(43)44/h6-8,12-13,19-20,24-26,50-51,54-55H,9-11,14-18,21-22H2,1-5H3,(H,45,52)(H,47,53)(H,48,57)(H,49,56)(H4,43,44,46)/t24-,25-,26-/m0/s1"	COC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCNC(=O)CSc1c(O)cc(OC)c(O)c1OC)NC(=O)CSc1c(O)cc(OC)c(O)c1OC	COC(=O)C(CCCNC(=N)N)NC(=O)C(Cc1ccccc1)NC(=O)C(CCCCNC(=O)CSc1c(O)cc(OC)c(O)c1OC)NC(=O)CSc1c(O)cc(OC)c(O)c1OC	XRKXHGZLOZLBQS-GSDHBNRESA-N	.							
PDC_01728	"Tripeptide 93 - 2-[(3,6-Dihydroxy-2,4-dimethoxyphenyl)thio]acetic acid conjugate"	19	32	"InChI=1S/C47H66N8O16S2/c1-66-33-22-31(56)41(39(68-3)37(33)60)72-25-35(58)50-19-11-9-16-28(53-36(59)26-73-42-32(57)23-34(67-2)38(61)40(42)69-4)43(62)54-29(44(63)55-30(45(64)70-5)18-13-21-51-46(48)49)17-10-12-20-52-47(65)71-24-27-14-7-6-8-15-27/h6-8,14-15,22-23,28-30,56-57,60-61H,9-13,16-21,24-26H2,1-5H3,(H,50,58)(H,52,65)(H,53,59)(H,54,62)(H,55,63)(H4,48,49,51)/t28-,29-,30-/m0/s1"	COC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)[C@H](CCCCNC(=O)CSc1c(O)cc(OC)c(O)c1OC)NC(=O)CSc1c(O)cc(OC)c(O)c1OC	COC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCNC(=O)OCc1ccccc1)NC(=O)C(CCCCNC(=O)CSc1c(O)cc(OC)c(O)c1OC)NC(=O)CSc1c(O)cc(OC)c(O)c1OC	ZBHSCURXQLHKGJ-DTXPUJKBSA-N	.							
PDC_01729	"GAGAG - 3,3,3,4-tetrahexyl-[2,2:5,2:5,2-quaterthiophene]-5-carboxylic acid conjugate"	10	34	"InChI=1S/C53H77N5O7S4/c1-7-11-15-19-23-37-27-28-66-47(37)41-29-38(24-20-16-12-8-2)48(67-41)42-30-39(25-21-17-13-9-3)49(68-42)43-31-40(26-22-18-14-10-4)50(69-43)53(65)55-33-45(60)57-35(5)51(63)54-32-44(59)58-36(6)52(64)56-34-46(61)62/h27-31,35-36H,7-26,32-34H2,1-6H3,(H,54,63)(H,55,65)(H,56,64)(H,57,60)(H,58,59)(H,61,62)/t35-,36-/m0/s1"	CCCCCCc1cc(-c2sc(-c3sc(-c4sccc4CCCCCC)cc3CCCCCC)cc2CCCCCC)sc1C(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)O	CCCCCCc1cc(-c2sc(-c3sc(-c4sccc4CCCCCC)cc3CCCCCC)cc2CCCCCC)sc1C(=O)NCC(=O)NC(C)C(=O)NCC(=O)NC(C)C(=O)NCC(=O)O	KZIPKZOQRLUMLH-ZPGRZCPFSA-N	.							
PDC_01730	"Tripeptide 94 - (3&alpha;,5&beta;,7&alpha;,12&alpha;)-3,7,12-Triaminocholan-24-ol conjugate 1"	22	49	"InChI=1S/C114H183N15O22/c1-68(2)89(127-104(143)149-110(17,18)19)98(137)119-80(51-37-40-58-115-101(140)146-107(8,9)10)92(131)123-84(62-72-45-31-28-32-46-72)95(134)118-76-56-57-113(26)75(65-76)66-83(122-96(135)85(63-73-47-33-29-34-48-73)124-93(132)81(52-38-41-59-116-102(141)147-108(11,12)13)120-99(138)90(69(3)4)128-105(144)150-111(20,21)22)88-78-55-54-77(71(7)44-43-61-130)114(78,27)87(67-79(88)113)126-97(136)86(64-74-49-35-30-36-50-74)125-94(133)82(53-39-42-60-117-103(142)148-109(14,15)16)121-100(139)91(70(5)6)129-106(145)151-112(23,24)25/h28-36,45-50,68-71,75-91,130H,37-44,51-67H2,1-27H3,(H,115,140)(H,116,141)(H,117,142)(H,118,134)(H,119,137)(H,120,138)(H,121,139)(H,122,135)(H,123,131)(H,124,132)(H,125,133)(H,126,136)(H,127,143)(H,128,144)(H,129,145)/t71?,75-,76+,77+,78-,79-,80-,81-,82-,83+,84-,85-,86-,87-,88-,89-,90-,91-,113-,114+/m0/s1"	CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CC[C@@]2(C)[C@@H](C1)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H]1[C@@H]2C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@]2(C)[C@@H](C(C)CCCO)CC[C@@H]12	CC(C)C(NC(=O)OC(C)(C)C)C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC1CCC2(C)C(C1)CC(NC(=O)C(Cc1ccccc1)NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C1C2CC(NC(=O)C(Cc2ccccc2)NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C2(C)C(C(C)CCCO)CCC12	FDSOKIQASAIROY-QQAFLKRBSA-N	.							
PDC_01731	"Tripeptide 95 - (3&alpha;,5&beta;,7&alpha;,12&alpha;)-3,7,12-Triaminocholan-24-ol conjugate"	19	52	"InChI=1S/C93H147N21O10/c1-56(23-22-46-115)65-36-37-66-82-67(52-81(93(65,66)3)114-91(124)79(35-15-21-45-99)112-89(122)77(33-13-19-43-97)109-85(118)70(102)49-59-55-105-73-29-9-6-26-64(59)73)92(2)39-38-61(106-86(119)74(30-10-16-40-94)110-87(120)75(31-11-17-41-95)107-83(116)68(100)47-57-53-103-71-27-7-4-24-62(57)71)50-60(92)51-80(82)113-90(123)78(34-14-20-44-98)111-88(121)76(32-12-18-42-96)108-84(117)69(101)48-58-54-104-72-28-8-5-25-63(58)72/h4-9,24-29,53-56,60-61,65-70,74-82,103-105,115H,10-23,30-52,94-102H2,1-3H3,(H,106,119)(H,107,116)(H,108,117)(H,109,118)(H,110,120)(H,111,121)(H,112,122)(H,113,123)(H,114,124)/t56?,60-,61+,65+,66-,67-,68-,69-,70-,74-,75-,76-,77-,78-,79-,80+,81-,82-,92-,93+/m0/s1"	CC(CCCO)[C@H]1CC[C@H]2[C@@H]3[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc4c[nH]c5ccccc45)C[C@@H]4C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc5c[nH]c6ccccc56)CC[C@]4(C)[C@H]3C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc3c[nH]c4ccccc34)[C@]12C	CC(CCCO)C1CCC2C3C(NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(N)Cc4c[nH]c5ccccc45)CC4CC(NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(N)Cc5c[nH]c6ccccc56)CCC4(C)C3CC(NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(N)Cc3c[nH]c4ccccc34)C12C	LCQLSXIMCQFELO-QZQICHBTSA-N	.							
PDC_01732	"Tripeptide 96 - (3&alpha;,5&beta;,7&alpha;,12&alpha;)-3,7,12-Triaminocholan-24-ol conjugate"	22	49	"InChI=1S/C75H129N21O10S3/c1-44(14-13-28-97)50-18-19-51-64-52(37-63(75(50,51)3)96-70(103)58(17-9-12-27-78)91-73(106)62(36-49-40-84-43-87-49)95-67(100)55(81)23-31-109-6)74(2)24-20-46(88-68(101)56(15-7-10-25-76)89-71(104)60(34-47-38-82-41-85-47)93-65(98)53(79)21-29-107-4)32-45(74)33-59(64)92-69(102)57(16-8-11-26-77)90-72(105)61(35-48-39-83-42-86-48)94-66(99)54(80)22-30-108-5/h38-46,50-64,97H,7-37,76-81H2,1-6H3,(H,82,85)(H,83,86)(H,84,87)(H,88,101)(H,89,104)(H,90,105)(H,91,106)(H,92,102)(H,93,98)(H,94,99)(H,95,100)(H,96,103)/t44?,45-,46+,50+,51-,52-,53-,54-,55-,56-,57-,58-,59+,60-,61-,62-,63-,64-,74-,75+/m0/s1"	CSCC[C@H](N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]1CC[C@@]2(C)[C@@H](C1)C[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CCSC)[C@@H]1[C@@H]2C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](N)CCSC)[C@]2(C)[C@@H](C(C)CCCO)CC[C@@H]12	CSCCC(N)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CCCCN)C(=O)NC1CCC2(C)C(C1)CC(NC(=O)C(CCCCN)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(N)CCSC)C1C2CC(NC(=O)C(CCCCN)NC(=O)C(Cc2cnc[nH]2)NC(=O)C(N)CCSC)C2(C)C(C(C)CCCO)CCC12	GUBMZLFZSUKYEP-HIVHTDNHSA-N	.							
PDC_01733	"Tripeptide 97 - (3&alpha;,5&beta;,7&alpha;,12&alpha;)-3,7,12-Triaminocholan-24-ol conjugate"	22	52	"InChI=1S/C78H138N24O10/c1-47(17-16-34-103)53-24-25-54-67-55(40-66(78(53,54)3)102-73(109)61(23-9-15-33-84)97-76(112)65(39-52-43-90-46-93-52)101-70(106)58(87)20-6-12-30-81)77(2)27-26-49(94-71(107)59(21-7-13-31-82)95-74(110)63(37-50-41-88-44-91-50)99-68(104)56(85)18-4-10-28-79)35-48(77)36-62(67)98-72(108)60(22-8-14-32-83)96-75(111)64(38-51-42-89-45-92-51)100-69(105)57(86)19-5-11-29-80/h41-49,53-67,103H,4-40,79-87H2,1-3H3,(H,88,91)(H,89,92)(H,90,93)(H,94,107)(H,95,110)(H,96,111)(H,97,112)(H,98,108)(H,99,104)(H,100,105)(H,101,106)(H,102,109)/t47?,48-,49+,53+,54-,55-,56-,57-,58-,59-,60-,61-,62+,63-,64-,65-,66-,67-,77-,78+/m0/s1"	CC(CCCO)[C@H]1CC[C@H]2[C@@H]3[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@@H](N)CCCCN)C[C@@H]4C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc5cnc[nH]5)NC(=O)[C@@H](N)CCCCN)CC[C@]4(C)[C@H]3C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](N)CCCCN)[C@]12C	CC(CCCO)C1CCC2C3C(NC(=O)C(CCCCN)NC(=O)C(Cc4cnc[nH]4)NC(=O)C(N)CCCCN)CC4CC(NC(=O)C(CCCCN)NC(=O)C(Cc5cnc[nH]5)NC(=O)C(N)CCCCN)CCC4(C)C3CC(NC(=O)C(CCCCN)NC(=O)C(Cc3cnc[nH]3)NC(=O)C(N)CCCCN)C12C	CMEDYJFVVBKTDK-BZGNMZNGSA-N	.							
PDC_01734	"Tripeptide 98 - (3&alpha;,5&beta;,7&alpha;,12&alpha;)-3,7,12-Triaminocholan-24-ol conjugate"	19	49	"InChI=1S/C90H138N18O10S3/c1-53(20-19-40-109)62-30-31-63-79-64(49-78(90(62,63)3)108-85(115)73(29-15-18-39-93)103-88(118)77(107-82(112)67(96)35-43-121-6)46-56-52-99-70-26-12-9-23-61(56)70)89(2)36-32-58(100-83(113)71(27-13-16-37-91)101-86(116)75(105-80(110)65(94)33-41-119-4)44-54-50-97-68-24-10-7-21-59(54)68)47-57(89)48-74(79)104-84(114)72(28-14-17-38-92)102-87(117)76(106-81(111)66(95)34-42-120-5)45-55-51-98-69-25-11-8-22-60(55)69/h7-12,21-26,50-53,57-58,62-67,71-79,97-99,109H,13-20,27-49,91-96H2,1-6H3,(H,100,113)(H,101,116)(H,102,117)(H,103,118)(H,104,114)(H,105,110)(H,106,111)(H,107,112)(H,108,115)/t53?,57-,58+,62+,63-,64-,65-,66-,67-,71-,72-,73-,74+,75-,76-,77-,78-,79-,89-,90+/m0/s1"	CSCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]1CC[C@@]2(C)[C@@H](C1)C[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@@H](N)CCSC)[C@@H]1[C@@H]2C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CCSC)[C@]2(C)[C@@H](C(C)CCCO)CC[C@@H]12	CSCCC(N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCN)C(=O)NC1CCC2(C)C(C1)CC(NC(=O)C(CCCCN)NC(=O)C(Cc1c[nH]c3ccccc13)NC(=O)C(N)CCSC)C1C2CC(NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(N)CCSC)C2(C)C(C(C)CCCO)CCC12	KHOOJWQLGLXNCZ-YRGYADPBSA-N	.							
PDC_01735	"Tripeptide 99 - (3&alpha;,5&beta;,7&alpha;,12&alpha;)-3,7,12-Triaminocholan-24-ol conjugate"	22	52	"InChI=1S/C72H135N15O10S6/c1-44(17-16-34-88)47-21-22-48-61-49(43-60(72(47,48)3)87-70(97)55(20-12-15-33-75)85-69(96)58(29-40-103-9)82-64(91)52(78)26-37-100-6)71(2)30-23-46(79-65(92)53(18-10-13-31-73)83-67(94)56(27-38-101-7)80-62(89)50(76)24-35-98-4)41-45(71)42-59(61)86-66(93)54(19-11-14-32-74)84-68(95)57(28-39-102-8)81-63(90)51(77)25-36-99-5/h44-61,88H,10-43,73-78H2,1-9H3,(H,79,92)(H,80,89)(H,81,90)(H,82,91)(H,83,94)(H,84,95)(H,85,96)(H,86,93)(H,87,97)/t44?,45-,46+,47+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59+,60-,61-,71-,72+/m0/s1"	CSCC[C@H](NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]1CC[C@@]2(C)[C@@H](C1)C[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CCSC)[C@@H]1[C@@H]2C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CCSC)[C@]2(C)[C@@H](C(C)CCCO)CC[C@@H]12	CSCCC(N)C(=O)NC(CCSC)C(=O)NC(CCCCN)C(=O)NC1CCC2(C)C(C1)CC(NC(=O)C(CCCCN)NC(=O)C(CCSC)NC(=O)C(N)CCSC)C1C2CC(NC(=O)C(CCCCN)NC(=O)C(CCSC)NC(=O)C(N)CCSC)C2(C)C(C(C)CCCO)CCC12	QDSZPUHVBVZLGP-RPYZZHFGSA-N	.							
PDC_01736	"Tripeptide 100 - (3&alpha;,5&beta;,7&alpha;,12&alpha;)-3,7,12-Triaminocholan-24-ol conjugate"	16	46	"InChI=1S/C96H135N15O10/c1-62(29-28-52-112)71-45-46-72-85-73(61-84(96(71,72)3)111-91(118)79(44-24-27-51-99)106-94(121)83(58-68-40-20-9-21-41-68)110-88(115)76(102)55-65-34-14-6-15-35-65)95(2)48-47-70(103-89(116)77(42-22-25-49-97)104-92(119)81(56-66-36-16-7-17-37-66)108-86(113)74(100)53-63-30-10-4-11-31-63)59-69(95)60-80(85)107-90(117)78(43-23-26-50-98)105-93(120)82(57-67-38-18-8-19-39-67)109-87(114)75(101)54-64-32-12-5-13-33-64/h4-21,30-41,62,69-85,112H,22-29,42-61,97-102H2,1-3H3,(H,103,116)(H,104,119)(H,105,120)(H,106,121)(H,107,117)(H,108,113)(H,109,114)(H,110,115)(H,111,118)/t62?,69-,70+,71+,72-,73-,74-,75-,76-,77-,78-,79-,80+,81-,82-,83-,84-,85-,95-,96+/m0/s1"	CC(CCCO)[C@H]1CC[C@H]2[C@@H]3[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H](N)Cc4ccccc4)C[C@@H]4C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc5ccccc5)NC(=O)[C@@H](N)Cc5ccccc5)CC[C@]4(C)[C@H]3C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)Cc3ccccc3)[C@]12C	CC(CCCO)C1CCC2C3C(NC(=O)C(CCCCN)NC(=O)C(Cc4ccccc4)NC(=O)C(N)Cc4ccccc4)CC4CC(NC(=O)C(CCCCN)NC(=O)C(Cc5ccccc5)NC(=O)C(N)Cc5ccccc5)CCC4(C)C3CC(NC(=O)C(CCCCN)NC(=O)C(Cc3ccccc3)NC(=O)C(N)Cc3ccccc3)C12C	JAKYDAJEIKNLBU-JLEVVGJKSA-N	.							
PDC_01737	"Tripeptide 101 - (3&alpha;,5&beta;,7&alpha;,12&alpha;)-3,7,12-Triaminocholan-24-ol conjugate"	16	43	"InChI=1S/C90H138N18O10/c1-50(2)77(94)86(116)101-68(30-16-19-37-91)80(110)105-72(41-54-47-97-65-27-13-10-24-59(54)65)83(113)100-58-35-36-89(8)57(44-58)45-71(104-84(114)73(42-55-48-98-66-28-14-11-25-60(55)66)106-81(111)69(31-17-20-38-92)102-87(117)78(95)51(3)4)76-63-34-33-62(53(7)23-22-40-109)90(63,9)75(46-64(76)89)108-85(115)74(43-56-49-99-67-29-15-12-26-61(56)67)107-82(112)70(32-18-21-39-93)103-88(118)79(96)52(5)6/h10-15,24-29,47-53,57-58,62-64,68-79,97-99,109H,16-23,30-46,91-96H2,1-9H3,(H,100,113)(H,101,116)(H,102,117)(H,103,118)(H,104,114)(H,105,110)(H,106,111)(H,107,112)(H,108,115)/t53?,57-,58+,62+,63-,64-,68-,69-,70-,71+,72-,73-,74-,75-,76-,77-,78-,79-,89-,90+/m0/s1"	CC(C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CC[C@@]2(C)[C@@H](C1)C[C@@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)C(C)C)[C@@H]1[C@@H]2C[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)C(C)C)[C@]2(C)[C@@H](C(C)CCCO)CC[C@@H]12	CC(C)C(N)C(=O)NC(CCCCN)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC1CCC2(C)C(C1)CC(NC(=O)C(Cc1c[nH]c3ccccc13)NC(=O)C(CCCCN)NC(=O)C(N)C(C)C)C1C2CC(NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCCCN)NC(=O)C(N)C(C)C)C2(C)C(C(C)CCCO)CCC12	CUVHPZCAUYKPAQ-SDLAPACFSA-N	.							
PDC_01738	"Tripeptide 94 - (3&alpha;,5&beta;,7&alpha;,12&alpha;)-3,7,12-Triaminocholan-24-ol conjugate 2"	16	43	"InChI=1S/C84H135N15O10/c1-50(2)71(88)80(107)92-62(33-19-22-40-85)74(101)96-66(44-54-27-13-10-14-28-54)77(104)91-58-38-39-83(8)57(47-58)48-65(95-78(105)67(45-55-29-15-11-16-30-55)97-75(102)63(34-20-23-41-86)93-81(108)72(89)51(3)4)70-60-37-36-59(53(7)26-25-43-100)84(60,9)69(49-61(70)83)99-79(106)68(46-56-31-17-12-18-32-56)98-76(103)64(35-21-24-42-87)94-82(109)73(90)52(5)6/h10-18,27-32,50-53,57-73,100H,19-26,33-49,85-90H2,1-9H3,(H,91,104)(H,92,107)(H,93,108)(H,94,109)(H,95,105)(H,96,101)(H,97,102)(H,98,103)(H,99,106)/t53?,57-,58+,59+,60-,61-,62-,63-,64-,65+,66-,67-,68-,69-,70-,71-,72-,73-,83-,84+/m0/s1"	CC(C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CC[C@@]2(C)[C@@H](C1)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)C(C)C)[C@@H]1[C@@H]2C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)C(C)C)[C@]2(C)[C@@H](C(C)CCCO)CC[C@@H]12	CC(C)C(N)C(=O)NC(CCCCN)C(=O)NC(Cc1ccccc1)C(=O)NC1CCC2(C)C(C1)CC(NC(=O)C(Cc1ccccc1)NC(=O)C(CCCCN)NC(=O)C(N)C(C)C)C1C2CC(NC(=O)C(Cc2ccccc2)NC(=O)C(CCCCN)NC(=O)C(N)C(C)C)C2(C)C(C(C)CCCO)CCC12	AGMGSVRXVFYSRT-YWFPJNGNSA-N	.							
PDC_01739	Tripeptide 102 - Prednisolone conjugate	12	17	"InChI=1S/C38H49N5O13/c1-36-11-9-22(44)13-20(36)3-4-23-24-10-12-38(55,37(24,2)15-27(45)33(23)36)28(46)18-56-32(51)8-6-29(47)43-26(14-21-16-39-19-41-21)34(52)40-17-30(48)42-25(35(53)54)5-7-31(49)50/h9,11,13,16,19,23-27,33,45,55H,3-8,10,12,14-15,17-18H2,1-2H3,(H,39,41)(H,40,52)(H,42,48)(H,43,47)(H,49,50)(H,53,54)/t23-,24-,25-,26-,27-,33+,36-,37-,38-/m0/s1"	C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O	CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COC(=O)CCC(=O)NC(Cc1cnc[nH]1)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)O	QKIHVOSWDSOROL-VBHMAXPFSA-N	.							
PDC_01740	Dipeptide 41 - Prednisolone conjugate	12	18	"InChI=1S/C39H54N6O11/c1-37-12-10-24(46)15-22(37)6-7-25-26-11-13-39(55,38(26,2)17-29(47)34(25)37)30(48)20-56-33(51)9-8-31(49)45-28(16-23-18-41-21-43-23)35(52)42-19-32(50)44-27(36(53)54)5-3-4-14-40/h10,12,15,18,21,25-29,34,47,55H,3-9,11,13-14,16-17,19-20,40H2,1-2H3,(H,41,43)(H,42,52)(H,44,50)(H,45,49)(H,53,54)/t25-,26-,27-,28-,29-,34+,37-,38-,39-/m0/s1"	C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O	CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COC(=O)CCC(=O)NC(Cc1cnc[nH]1)C(=O)NCC(=O)NC(CCCCN)C(=O)O	MQXMSVQFQTZCPO-NTQMJKROSA-N	.							
PDC_01741	Tripeptide 103 - Prednisolone conjugate 1	16	20	"InChI=1S/C55H72N8O13S/c1-34-15-18-39(19-16-34)77(73,74)63-30-38(58-33-63)27-43(60-51(71)76-52(2,3)4)48(68)57-29-46(67)59-42(14-10-11-25-56-50(70)75-32-35-12-8-7-9-13-35)49(69)62-61-37-21-23-53(5)36(26-37)17-20-40-41-22-24-55(72,45(66)31-64)54(41,6)28-44(65)47(40)53/h7-9,12-13,15-16,18-19,21,23,26,30,33,40-44,47,64-65,72H,10-11,14,17,20,22,24-25,27-29,31-32H2,1-6H3,(H,56,70)(H,57,68)(H,59,67)(H,60,71)(H,62,69)/t40-,41-,42-,43-,44-,47+,53-,54-,55-/m0/s1"	Cc1ccc(S(=O)(=O)n2cnc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](CCCCNC(=O)OCc3ccccc3)C(=O)NN=C3C=C[C@@]4(C)C(=C3)CC[C@@H]3[C@@H]4[C@@H](O)C[C@@]4(C)[C@H]3CC[C@]4(O)C(=O)CO)c2)cc1	Cc1ccc(S(=O)(=O)n2cnc(CC(NC(=O)OC(C)(C)C)C(=O)NCC(=O)NC(CCCCNC(=O)OCc3ccccc3)C(=O)NN=C3C=CC4(C)C(=C3)CCC3C4C(O)CC4(C)C3CCC4(O)C(=O)CO)c2)cc1	XZGQQRUCSVDYAX-LRGSBFQTSA-N	.							
PDC_01742	Tripeptide 103 - Prednisolone conjugate 2	11	14	"InChI=1S/C35H52N8O7/c1-33-10-8-21(13-20(33)6-7-23-24-9-11-35(50,28(46)18-44)34(24,2)15-27(45)30(23)33)42-43-32(49)26(5-3-4-12-36)41-29(47)17-39-31(48)25(37)14-22-16-38-19-40-22/h8,10,13,16,19,23-27,30,44-45,50H,3-7,9,11-12,14-15,17-18,36-37H2,1-2H3,(H,38,40)(H,39,48)(H,41,47)(H,43,49)/t23-,24-,25-,26-,27-,30+,33-,34-,35-/m0/s1"	C[C@]12C=CC(=NNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H](N)Cc3cnc[nH]3)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO	CC12C=CC(=NNC(=O)C(CCCCN)NC(=O)CNC(=O)C(N)Cc3cnc[nH]3)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO	KEOCWLPIZKWIIB-QJDKKHEQSA-N	.							
PDC_01743	Tripeptide 103 - Prednisolone conjugate 3	18	25	"InChI=1S/C64H86N6O18/c1-59-20-16-38(71)25-35(59)8-10-40-42-18-22-63(85,61(42,3)28-46(73)55(40)59)48(75)32-87-53(80)14-12-50(77)66-24-6-5-7-44(58(83)84)69-52(79)31-67-57(82)45(27-37-30-65-34-68-37)70-51(78)13-15-54(81)88-33-49(76)64(86)23-19-43-41-11-9-36-26-39(72)17-21-60(36,2)56(41)47(74)29-62(43,64)4/h17,21,25-26,30,34,40-47,55-56,73-74,85-86H,5-16,18-20,22-24,27-29,31-33H2,1-4H3,(H,65,68)(H,66,77)(H,67,82)(H,69,79)(H,70,78)(H,83,84)/t40-,41-,42-,43-,44-,45-,46-,47-,55+,56+,59-,60-,61-,62-,63-,64-/m0/s1"	C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCC(=O)N[C@@H](CCCCNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)O	CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COC(=O)CCC(=O)NC(Cc1cnc[nH]1)C(=O)NCC(=O)NC(CCCCNC(=O)CCC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C)C(=O)O	IWPQMXOOQIRRBG-ZJQUNKFLSA-N	.							
PDC_01744	Tripeptide 104 - Prednisolone conjugate	12	17	"InChI=1S/C36H47N3O15/c1-34-11-9-19(40)13-18(34)3-4-20-21-10-12-36(53,35(21,2)15-24(41)31(20)34)25(42)17-54-30(50)8-6-26(43)38-22(5-7-27(44)45)33(52)39-23(14-28(46)47)32(51)37-16-29(48)49/h9,11,13,20-24,31,41,53H,3-8,10,12,14-17H2,1-2H3,(H,37,51)(H,38,43)(H,39,52)(H,44,45)(H,46,47)(H,48,49)/t20-,21-,22-,23-,24-,31+,34-,35-,36-/m0/s1"	C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)O	CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COC(=O)CCC(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)O)C(=O)NCC(=O)O	HPRGOBVWFWGENY-PHIZNSPUSA-N	.							
PDC_01745	Tripeptide 103 - Prednisolone conjugate 4	16	20	"InChI=1S/C55H74N8O13S/c1-34-15-18-39(19-16-34)77(73,74)63-30-38(58-33-63)27-43(60-51(71)76-52(2,3)4)48(68)57-29-46(67)59-42(14-10-11-25-56-50(70)75-32-35-12-8-7-9-13-35)49(69)62-61-37-21-23-53(5)36(26-37)17-20-40-41-22-24-55(72,45(66)31-64)54(41,6)28-44(65)47(40)53/h7-9,12-13,15-16,18-19,26,30,33,40-44,47,64-65,72H,10-11,14,17,20-25,27-29,31-32H2,1-6H3,(H,56,70)(H,57,68)(H,59,67)(H,60,71)(H,62,69)/t40-,41-,42-,43-,44-,47+,53-,54-,55-/m0/s1"	Cc1ccc(S(=O)(=O)n2cnc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](CCCCNC(=O)OCc3ccccc3)C(=O)NN=C3C=C4CC[C@@H]5[C@H]([C@@H](O)C[C@@]6(C)[C@H]5CC[C@]6(O)C(=O)CO)[C@@]4(C)CC3)c2)cc1	Cc1ccc(S(=O)(=O)n2cnc(CC(NC(=O)OC(C)(C)C)C(=O)NCC(=O)NC(CCCCNC(=O)OCc3ccccc3)C(=O)NN=C3C=C4CCC5C(C(O)CC6(C)C5CCC6(O)C(=O)CO)C4(C)CC3)c2)cc1	NJUGMOXXBRGPBX-LRGSBFQTSA-N	.							
PDC_01746	Tripeptide 103 - Prednisolone conjugate 5	18	25	"InChI=1S/C64H86N6O18/c1-59-20-16-38(71)25-35(59)8-10-40-42-18-22-63(85,61(42,3)28-46(73)55(40)59)48(75)32-87-53(80)14-12-50(77)66-24-6-5-7-44(58(83)84)69-52(79)31-67-57(82)45(27-37-30-65-34-68-37)70-51(78)13-15-54(81)88-33-49(76)64(86)23-19-43-41-11-9-36-26-39(72)17-21-60(36,2)56(41)47(74)29-62(43,64)4/h16,20,25-26,30,34,40-47,55-56,73-74,85-86H,5-15,17-19,21-24,27-29,31-33H2,1-4H3,(H,65,68)(H,66,77)(H,67,82)(H,69,79)(H,70,78)(H,83,84)/t40-,41-,42-,43-,44-,45-,46-,47-,55+,56+,59-,60-,61-,62-,63-,64-/m0/s1"	C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)O	CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COC(=O)CCC(=O)NCCCCC(NC(=O)CNC(=O)C(Cc1cnc[nH]1)NC(=O)CCC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C)C(=O)O	MOSVXPGATRBNQC-ZJQUNKFLSA-N	.							
PDC_01747	Tripeptide 103 - Prednisolone conjugate 6	12	18	"InChI=1S/C39H56N6O11/c1-37-12-10-24(46)15-22(37)6-7-25-26-11-13-39(55,38(26,2)17-29(47)34(25)37)30(48)20-56-33(51)9-8-31(49)45-28(16-23-18-41-21-43-23)35(52)42-19-32(50)44-27(36(53)54)5-3-4-14-40/h15,18,21,25-29,34,47,55H,3-14,16-17,19-20,40H2,1-2H3,(H,41,43)(H,42,52)(H,44,50)(H,45,49)(H,53,54)/t25-,26-,27-,28-,29-,34+,37-,38-,39-/m0/s1"	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O	CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COC(=O)CCC(=O)NC(Cc1cnc[nH]1)C(=O)NCC(=O)NC(CCCCN)C(=O)O	AOZFSCJYQUDJCO-NTQMJKROSA-N	.							
PDC_01748	Tripeptide 103 - Prednisolone conjugate 7	11	14	"InChI=1S/C35H54N8O7/c1-33-10-8-21(13-20(33)6-7-23-24-9-11-35(50,28(46)18-44)34(24,2)15-27(45)30(23)33)42-43-32(49)26(5-3-4-12-36)41-29(47)17-39-31(48)25(37)14-22-16-38-19-40-22/h13,16,19,23-27,30,44-45,50H,3-12,14-15,17-18,36-37H2,1-2H3,(H,38,40)(H,39,48)(H,41,47)(H,43,49)/t23-,24-,25-,26-,27-,30+,33-,34-,35-/m0/s1"	C[C@]12CCC(=NNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H](N)Cc3cnc[nH]3)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO	CC12CCC(=NNC(=O)C(CCCCN)NC(=O)CNC(=O)C(N)Cc3cnc[nH]3)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO	ZCQQARLBMQWSLR-QJDKKHEQSA-N	.							
PDC_01749	Tripeptide 103 - Prednisolone conjugate 8	12	17	"InChI=1S/C36H49N3O15/c1-34-11-9-19(40)13-18(34)3-4-20-21-10-12-36(53,35(21,2)15-24(41)31(20)34)25(42)17-54-30(50)8-6-26(43)38-22(5-7-27(44)45)33(52)39-23(14-28(46)47)32(51)37-16-29(48)49/h13,20-24,31,41,53H,3-12,14-17H2,1-2H3,(H,37,51)(H,38,43)(H,39,52)(H,44,45)(H,46,47)(H,48,49)/t20-,21-,22-,23-,24-,31+,34-,35-,36-/m0/s1"	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)O	CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COC(=O)CCC(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)O)C(=O)NCC(=O)O	SIOPHXHRYUEYQL-PHIZNSPUSA-N	.							
PDC_01750	Tripeptide 103 - Prednisolone conjugate 9	12	17	"InChI=1S/C38H51N5O13/c1-36-11-9-22(44)13-20(36)3-4-23-24-10-12-38(55,37(24,2)15-27(45)33(23)36)28(46)18-56-32(51)8-6-29(47)43-26(14-21-16-39-19-41-21)34(52)40-17-30(48)42-25(35(53)54)5-7-31(49)50/h13,16,19,23-27,33,45,55H,3-12,14-15,17-18H2,1-2H3,(H,39,41)(H,40,52)(H,42,48)(H,43,47)(H,49,50)(H,53,54)/t23-,24-,25-,26-,27-,33+,36-,37-,38-/m0/s1"	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O	CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COC(=O)CCC(=O)NC(Cc1cnc[nH]1)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)O	IRGIRGOLQUHXHW-VBHMAXPFSA-N	.							
PDC_01751	Tripeptide 103 - Prednisolone conjugate 10	18	25	"InChI=1S/C64H88N6O18/c1-59-20-16-38(71)25-35(59)8-10-40-42-18-22-63(85,61(42,3)28-46(73)55(40)59)48(75)32-87-53(80)14-12-50(77)66-24-6-5-7-44(58(83)84)69-52(79)31-67-57(82)45(27-37-30-65-34-68-37)70-51(78)13-15-54(81)88-33-49(76)64(86)23-19-43-41-11-9-36-26-39(72)17-21-60(36,2)56(41)47(74)29-62(43,64)4/h25-26,30,34,40-47,55-56,73-74,85-86H,5-24,27-29,31-33H2,1-4H3,(H,65,68)(H,66,77)(H,67,82)(H,69,79)(H,70,78)(H,83,84)/t40-,41-,42-,43-,44-,45-,46-,47-,55+,56+,59-,60-,61-,62-,63-,64-/m0/s1"	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)O	CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COC(=O)CCC(=O)NCCCCC(NC(=O)CNC(=O)C(Cc1cnc[nH]1)NC(=O)CCC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C)C(=O)O	HZOWRRBIYFBQNU-ZJQUNKFLSA-N	.							
PDC_01752	ALEKEVAALEKENAALEKEVAALEKEVAGK - Dansyl chloride conjugate	47	121	"InChI=1S/C153H252N38O50S/c1-74(2)68-105(183-130(216)82(16)162-89(23)192)147(233)179-97(47-55-114(195)196)139(225)172-95(43-28-33-65-156)136(222)177-103(53-61-120(207)208)144(230)189-123(79(11)12)152(238)168-84(18)128(214)164-87(21)132(218)185-107(70-76(5)6)149(235)180-98(48-56-115(197)198)138(224)171-93(41-26-31-63-154)134(220)175-101(51-59-118(203)204)142(228)187-109(72-112(158)193)146(232)166-83(17)127(213)163-86(20)131(217)184-106(69-75(3)4)148(234)181-99(49-57-116(199)200)140(226)174-96(44-29-34-66-157)137(223)178-104(54-62-121(209)210)145(231)190-124(80(13)14)153(239)169-85(19)129(215)165-88(22)133(219)186-108(71-77(7)8)150(236)182-100(50-58-117(201)202)141(227)173-94(42-27-32-64-155)135(221)176-102(52-60-119(205)206)143(229)188-122(78(9)10)151(237)167-81(15)126(212)160-73-113(194)170-92(125(159)211)40-30-35-67-161-242(240,241)111-46-37-38-90-91(111)39-36-45-110(90)191(24)25/h36-39,45-46,74-88,92-109,122-124,161H,26-35,40-44,47-73,154-157H2,1-25H3,(H2,158,193)(H2,159,211)(H,160,212)(H,162,192)(H,163,213)(H,164,214)(H,165,215)(H,166,232)(H,167,237)(H,168,238)(H,169,239)(H,170,194)(H,171,224)(H,172,225)(H,173,227)(H,174,226)(H,175,220)(H,176,221)(H,177,222)(H,178,223)(H,179,233)(H,180,235)(H,181,234)(H,182,236)(H,183,216)(H,184,217)(H,185,218)(H,186,219)(H,187,228)(H,188,229)(H,189,230)(H,190,231)(H,195,196)(H,197,198)(H,199,200)(H,201,202)(H,203,204)(H,205,206)(H,207,208)(H,209,210)/t81-,82-,83-,84-,85-,86-,87-,88-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,122-,123-,124-/m0/s1"	CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCCNS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(N)=O)C(C)C)C(C)C)C(C)C	CC(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(CC(N)=O)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(C)C(=O)NCC(=O)NC(CCCCNS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(N)=O)C(C)C)C(C)C)C(C)C	FENMDJFVVUGTSB-QYPZKCSISA-N	.							
PDC_01753	"ALEKEVAALEKENAALEKEVAALEKEVAGGC - 7-(2-Bromoacetyl)-10-methylbenzo[g]pteridine-2,4(3H,10H)-dione conjugate"	52	120	"InChI=1S/C153H245N41O52S/c1-69(2)59-99(184-128(221)77(16)162-84(23)195)145(238)180-90(38-47-110(200)201)137(230)173-88(35-27-31-57-156)134(227)178-96(44-53-116(212)213)142(235)190-119(74(11)12)150(243)168-79(18)126(219)164-82(21)130(223)186-101(61-71(5)6)147(240)181-91(39-48-111(202)203)136(229)172-86(33-25-29-55-154)132(225)176-94(42-51-114(208)209)140(233)188-103(64-107(158)197)144(237)166-78(17)125(218)163-81(20)129(222)185-100(60-70(3)4)146(239)182-92(40-49-112(204)205)138(231)175-89(36-28-32-58-157)135(228)179-97(45-54-117(214)215)143(236)191-120(75(13)14)151(244)169-80(19)127(220)165-83(22)131(224)187-102(62-72(7)8)148(241)183-93(41-50-113(206)207)139(232)174-87(34-26-30-56-155)133(226)177-95(43-52-115(210)211)141(234)189-118(73(9)10)149(242)167-76(15)124(217)161-65-108(198)160-66-109(199)170-104(122(159)216)67-247-68-106(196)85-37-46-105-98(63-85)171-121-123(194(105)24)192-153(246)193-152(121)245/h37,46,63,69-83,86-97,99-104,118-120H,25-36,38-45,47-62,64-68,154-157H2,1-24H3,(H2,158,197)(H2,159,216)(H,160,198)(H,161,217)(H,162,195)(H,163,218)(H,164,219)(H,165,220)(H,166,237)(H,167,242)(H,168,243)(H,169,244)(H,170,199)(H,172,229)(H,173,230)(H,174,232)(H,175,231)(H,176,225)(H,177,226)(H,178,227)(H,179,228)(H,180,238)(H,181,240)(H,182,239)(H,183,241)(H,184,221)(H,185,222)(H,186,223)(H,187,224)(H,188,233)(H,189,234)(H,190,235)(H,191,236)(H,200,201)(H,202,203)(H,204,205)(H,206,207)(H,208,209)(H,210,211)(H,212,213)(H,214,215)(H,193,245,246)/t76-,77-,78-,79-,80-,81-,82-,83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,99-,100-,101-,102-,103-,104-,118-,119-,120-/m0/s1"	CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N[C@@H](CSCC(=O)c1ccc2c(c1)nc1c(=O)[nH]c(=O)nc-1n2C)C(N)=O)C(C)C)C(C)C)C(C)C	CC(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(CC(N)=O)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(C)C(=O)NCC(=O)NCC(=O)NC(CSCC(=O)c1ccc2c(c1)nc1c(=O)[nH]c(=O)nc-1n2C)C(N)=O)C(C)C)C(C)C)C(C)C	XLBFIWQSJFFTQN-UKMRWKEVSA-N	.							
PDC_01754	"CGGALEKEVAALEKENAALEKEVAALEKEVA - 7-(2-Bromoacetyl)-10-methylbenzo[g]pteridine-2,4(3H,10H)-dione conjugate"	52	120	"InChI=1S/C153H245N41O52S/c1-69(2)59-99(184-127(220)77(16)162-109(199)66-160-108(198)65-161-131(224)104(170-84(23)195)67-247-68-106(196)85-37-46-105-98(63-85)171-121-123(194(105)24)192-153(246)193-152(121)245)145(238)180-90(38-47-110(200)201)137(230)173-88(35-27-31-57-156)134(227)178-96(44-53-116(212)213)142(235)190-119(74(11)12)150(243)168-79(18)125(218)165-82(21)129(222)186-101(61-71(5)6)147(240)181-91(39-48-111(202)203)136(229)172-86(33-25-29-55-154)132(225)176-94(42-51-114(208)209)140(233)188-103(64-107(158)197)144(237)167-78(17)124(217)164-81(20)128(221)185-100(60-70(3)4)146(239)182-92(40-49-112(204)205)139(232)175-89(36-28-32-58-157)135(228)179-97(45-54-117(214)215)143(236)191-120(75(13)14)151(244)169-80(19)126(219)166-83(22)130(223)187-102(62-72(7)8)148(241)183-93(41-50-113(206)207)138(231)174-87(34-26-30-56-155)133(226)177-95(43-52-115(210)211)141(234)189-118(73(9)10)149(242)163-76(15)122(159)216/h37,46,63,69-83,86-97,99-104,118-120H,25-36,38-45,47-62,64-68,154-157H2,1-24H3,(H2,158,197)(H2,159,216)(H,160,198)(H,161,224)(H,162,199)(H,163,242)(H,164,217)(H,165,218)(H,166,219)(H,167,237)(H,168,243)(H,169,244)(H,170,195)(H,172,229)(H,173,230)(H,174,231)(H,175,232)(H,176,225)(H,177,226)(H,178,227)(H,179,228)(H,180,238)(H,181,240)(H,182,239)(H,183,241)(H,184,220)(H,185,221)(H,186,222)(H,187,223)(H,188,233)(H,189,234)(H,190,235)(H,191,236)(H,200,201)(H,202,203)(H,204,205)(H,206,207)(H,208,209)(H,210,211)(H,212,213)(H,214,215)(H,193,245,246)/t76-,77-,78-,79-,80-,81-,82-,83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,99-,100-,101-,102-,103-,104-,118-,119-,120-/m0/s1"	CC(=O)N[C@@H](CSCC(=O)c1ccc2c(c1)nc1c(=O)[nH]c(=O)nc-1n2C)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)C(C)C)C(C)C)C(C)C	CC(=O)NC(CSCC(=O)c1ccc2c(c1)nc1c(=O)[nH]c(=O)nc-1n2C)C(=O)NCC(=O)NCC(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(CC(N)=O)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(C)C(N)=O)C(C)C)C(C)C)C(C)C	LYQCHZWDXIYGLH-UKMRWKEVSA-N	.							
PDC_01755	RRLSYSRRRF - 2-pyrrolinodoxorubicin conjugate 1	32	58	"InChI=1S/C95H137N27O26/c1-47(2)38-60(86(140)120-63(45-124)89(143)119-61(40-50-25-27-51(125)28-26-50)87(141)121-62(44-123)88(142)116-56(21-13-33-109-92(101)102)83(137)114-55(20-12-32-108-91(99)100)82(136)115-57(22-14-34-110-93(103)104)84(138)117-59(80(96)134)39-49-16-6-5-7-17-49)118-85(139)58(23-15-35-111-94(105)106)113-81(135)54(19-11-31-107-90(97)98)112-68(127)29-30-69(128)146-46-67(126)95(144)42-53-72(66(43-95)148-70-41-64(75(129)48(3)147-70)122-36-8-9-37-122)79(133)74-73(77(53)131)76(130)52-18-10-24-65(145-4)71(52)78(74)132/h5-8,10,16-18,24-28,36,47-48,54-64,66,70,75,123-125,129,131,133,144H,9,11-15,19-23,29-35,37-46H2,1-4H3,(H2,96,134)(H,112,127)(H,113,135)(H,114,137)(H,115,136)(H,116,142)(H,117,138)(H,118,139)(H,119,143)(H,120,140)(H,121,141)(H4,97,98,107)(H4,99,100,108)(H4,101,102,109)(H4,103,104,110)(H4,105,106,111)/t48-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,66-,70-,75+,95-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C[C@@H]3O[C@H]1C[C@H](N2C=CCC2)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)COC(=O)CCC(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccccc1)C(N)=O)CC3OC1CC(N2C=CCC2)C(O)C(C)O1	NIDCZFDJNSPUFD-CLNZHFMNSA-N	.							
PDC_01756	RRLSYSRRRF - 2-pyrrolinodoxorubicin conjugate 2	32	57	"InChI=1S/C91H133N27O26/c1-43(2)34-57(82(136)117-60(41-120)85(139)116-58(36-46-23-25-47(121)26-24-46)83(137)118-59(40-119)84(138)113-53(19-11-31-106-88(98)99)79(133)111-52(18-10-30-105-87(96)97)78(132)112-54(20-12-32-107-89(100)101)80(134)114-56(76(93)130)35-45-14-6-5-7-15-45)115-81(135)55(21-13-33-108-90(102)103)110-77(131)51(17-9-29-104-86(94)95)109-64(123)27-28-65(124)142-42-63(122)91(140)38-49-68(62(39-91)144-66-37-50(92)71(125)44(3)143-66)75(129)70-69(73(49)127)72(126)48-16-8-22-61(141-4)67(48)74(70)128/h5-8,14-16,22-26,43-44,50-60,62,66,71,119-121,125,127,129,140H,9-13,17-21,27-42,92H2,1-4H3,(H2,93,130)(H,109,123)(H,110,131)(H,111,133)(H,112,132)(H,113,138)(H,114,134)(H,115,135)(H,116,139)(H,117,136)(H,118,137)(H4,94,95,104)(H4,96,97,105)(H4,98,99,106)(H4,100,101,107)(H4,102,103,108)/t44-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,62-,66-,71+,91-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)COC(=O)CCC(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccccc1)C(N)=O)CC3OC1CC(N)C(O)C(C)O1	SBNDWSLWJNAJMR-SHTGAUFWSA-N	.							
PDC_01757	RRLSYSRRRF - 2-pyrrolinodoxorubicin conjugate 3	33	60	"InChI=1S/C106H143N27O28/c1-52(2)42-71(96(151)131-74(49-135)99(154)130-72(44-55-31-33-56(136)34-32-55)97(152)132-73(48-134)98(153)127-66(27-15-39-120-102(112)113)93(148)125-65(26-14-38-119-101(110)111)92(147)126-67(28-16-40-121-103(114)115)94(149)128-70(90(107)145)43-54-18-6-5-7-19-54)129-95(150)68(29-17-41-122-104(116)117)124-91(146)64(25-13-37-118-100(108)109)123-78(138)35-36-79(139)158-51-77(137)106(156)46-62-82(89(144)84-83(87(62)142)86(141)61-24-12-30-75(157-4)81(61)88(84)143)76(47-106)161-80-45-69(85(140)53(3)160-80)133-105(155)159-50-63-59-22-10-8-20-57(59)58-21-9-11-23-60(58)63/h5-12,18-24,30-34,52-53,63-74,76,80,85,134-136,140,142,144,156H,13-17,25-29,35-51H2,1-4H3,(H2,107,145)(H,123,138)(H,124,146)(H,125,148)(H,126,147)(H,127,153)(H,128,149)(H,129,150)(H,130,154)(H,131,151)(H,132,152)(H,133,155)(H4,108,109,118)(H4,110,111,119)(H4,112,113,120)(H4,114,115,121)(H4,116,117,122)/t53-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,76-,80-,85+,106-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C[C@@H]3O[C@H]1C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)COC(=O)CCC(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccccc1)C(N)=O)CC3OC1CC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(O)C(C)O1	IMYMFWAAPCYCFS-ZECXTHEUSA-N	.							
PDC_01758	"RRRRRRRRG - Xanthylium, 9-[2-carboxy-6-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]phenyl]-3,6-bis(dimethylamino)-, chloride (1:1) conjugate"	25	66	"InChI=1S/C85H137N37O19/c1-120(2)45-27-29-47-60(40-45)141-61-41-46(121(3)4)28-30-48(61)65(47)66-49(16-7-17-50(66)76(137)138)67(128)112-52(19-9-33-104-79(88)89)69(130)114-54(21-11-35-106-81(92)93)71(132)116-56(23-13-37-108-83(96)97)73(134)118-58(25-15-39-110-85(100)101)75(136)119-57(24-14-38-109-84(98)99)74(135)117-55(22-12-36-107-82(94)95)72(133)115-53(20-10-34-105-80(90)91)70(131)113-51(18-8-32-103-78(86)87)68(129)111-42-62(123)102-31-6-5-26-59(77(139)140)122(43-63(124)125)44-64(126)127/h7,16-17,27-30,40-41,51-59H,5-6,8-15,18-26,31-39,42-44H2,1-4H3,(H45-,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,123,124,125,126,127,128,129,130,131,132,133,134,135,136,137,138,139,140)/p+1/t51-,52-,53-,54-,55-,56-,57-,58-,59-/m0/s1"	CN(C)c1ccc2c(-c3c(C(=O)O)cccc3C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)NCCCC[C@@H](C(=O)O)N(CC(=O)O)CC(=O)O)c3ccc(N(C)C)cc3[o+]c2c1	CN(C)c1ccc2c(-c3c(C(=O)O)cccc3C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NCCCCC(C(=O)O)N(CC(=O)O)CC(=O)O)c3ccc(N(C)C)cc3[o+]c2c1	WSYQUVOYMUWBAN-CHSOLAMVSA-O	.							
PDC_01759	"RRRRRRRRG - Diaqua[N2,N2-bis[(carboxy-&kappa;O)methyl]-L-lysinato(3-)-&kappa;N2,&kappa;O]-nickelate(1-) conjugate"	25	61	.	CC(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NCCCCC1C(=O)[O-]->[Ni+2]23(<-O)(<-O)<-[O-]C(=O)CN->21CC(=O)[O-]->3	CC(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NCCCCC1C(=O)[O-]->[Ni+2]23(<-O)(<-O)<-[O-]C(=O)CN->21CC(=O)[O-]->3	.	.							
PDC_01760	XXXXXXXXG - Nitrilotriacetic acid conjugate	46	77	"InChI=1S/C166H247N35O40S8/c1-81-89(9)134(97(17)106-70-159(26,27)234-126(81)106)242(218,219)193-151(167)176-62-44-52-114(142(208)184-78-123(203)175-61-43-42-60-122(150(216)217)201(79-124(204)205)80-125(206)207)186-144(210)116(54-46-64-178-153(169)195-244(222,223)136-91(11)83(3)128-108(99(136)19)72-161(30,31)236-128)188-146(212)118(56-48-66-180-155(171)197-246(226,227)138-93(13)85(5)130-110(101(138)21)74-163(34,35)238-130)190-148(214)120(58-50-68-182-157(173)199-248(230,231)140-95(15)87(7)132-112(103(140)23)76-165(38,39)240-132)192-149(215)121(59-51-69-183-158(174)200-249(232,233)141-96(16)88(8)133-113(104(141)24)77-166(40,41)241-133)191-147(213)119(57-49-67-181-156(172)198-247(228,229)139-94(14)86(6)131-111(102(139)22)75-164(36,37)239-131)189-145(211)117(55-47-65-179-154(170)196-245(224,225)137-92(12)84(4)129-109(100(137)20)73-162(32,33)237-129)187-143(209)115(185-105(25)202)53-45-63-177-152(168)194-243(220,221)135-90(10)82(2)127-107(98(135)18)71-160(28,29)235-127/h114-122H,42-80H2,1-41H3,(H,175,203)(H,184,208)(H,185,202)(H,186,210)(H,187,209)(H,188,212)(H,189,211)(H,190,214)(H,191,213)(H,192,215)(H,204,205)(H,206,207)(H,216,217)(H3,167,176,193)(H3,168,177,194)(H3,169,178,195)(H3,170,179,196)(H3,171,180,197)(H3,172,181,198)(H3,173,182,199)(H3,174,183,200)/t114-,115-,116-,117-,118-,119-,120-,121-,122-/m0/s1"	CC(=O)N[C@@H](CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)C(=O)N[C@@H](CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)C(=O)N[C@@H](CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)C(=O)N[C@@H](CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)C(=O)N[C@@H](CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)C(=O)N[C@@H](CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)C(=O)N[C@@H](CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)C(=O)N[C@@H](CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)C(=O)NCC(=O)NCCCC[C@@H](C(=O)O)N(CC(=O)O)CC(=O)O	CC(=O)NC(CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)C(=O)NC(CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)C(=O)NC(CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)C(=O)NC(CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)C(=O)NC(CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)C(=O)NC(CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)C(=O)NC(CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)C(=O)NC(CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)C(=O)NCC(=O)NCCCCC(C(=O)O)N(CC(=O)O)CC(=O)O	GSHGCFXBJJIRHL-JWQAZJPFSA-N	.							
PDC_01761	RRRRRRRRG - Nitrilotriacetic acid conjugate 1	45	67	"InChI=1S/C160H234N34O37S8/c1-77-85(9)129(93(17)102-68-153(26,27)223-121(77)102)232(207,208)186-145(161)169-60-42-50-110(137(199)177-76-120(198)231-194-118(196)58-59-119(194)197)179-139(201)112(52-44-62-171-147(163)188-234(211,212)131-87(11)79(3)123-104(95(131)19)70-155(30,31)225-123)181-141(203)114(54-46-64-173-149(165)190-236(215,216)133-89(13)81(5)125-106(97(133)21)72-157(34,35)227-125)183-143(205)116(56-48-66-175-151(167)192-238(219,220)135-91(15)83(7)127-108(99(135)23)74-159(38,39)229-127)185-144(206)117(57-49-67-176-152(168)193-239(221,222)136-92(16)84(8)128-109(100(136)24)75-160(40,41)230-128)184-142(204)115(55-47-65-174-150(166)191-237(217,218)134-90(14)82(6)126-107(98(134)22)73-158(36,37)228-126)182-140(202)113(53-45-63-172-148(164)189-235(213,214)132-88(12)80(4)124-105(96(132)20)71-156(32,33)226-124)180-138(200)111(178-101(25)195)51-43-61-170-146(162)187-233(209,210)130-86(10)78(2)122-103(94(130)18)69-154(28,29)224-122/h110-117H,42-76H2,1-41H3,(H,177,199)(H,178,195)(H,179,201)(H,180,200)(H,181,203)(H,182,202)(H,183,205)(H,184,204)(H,185,206)(H3,161,169,186)(H3,162,170,187)(H3,163,171,188)(H3,164,172,189)(H3,165,173,190)(H3,166,174,191)(H3,167,175,192)(H3,168,176,193)/t110-,111-,112-,113-,114-,115-,116-,117-/m0/s1"	CC(=O)N[C@@H](CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)C(=O)N[C@@H](CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)C(=O)N[C@@H](CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)C(=O)N[C@@H](CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)C(=O)N[C@@H](CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)C(=O)N[C@@H](CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)C(=O)N[C@@H](CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)C(=O)N[C@@H](CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)C(=O)NCC(=O)ON1C(=O)CCC1=O	CC(=O)NC(CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)C(=O)NC(CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)C(=O)NC(CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)C(=O)NC(CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)C(=O)NC(CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)C(=O)NC(CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)C(=O)NC(CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)C(=O)NC(CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)C(=O)NCC(=O)ON1C(=O)CCC1=O	MRYHHLGBEYJXSP-IHPCJIDGSA-N	.							
PDC_01762	RRRRRRRRG - Nitrilotriacetic acid conjugate 2	42	65	"InChI=1S/C154H229N33O34S8/c1-74-82(9)123(90(17)98-65-147(25,26)214-115(74)98)222(198,199)180-139(156)164-57-41-49-106(155)131(190)173-108(51-43-59-166-141(158)182-224(202,203)125-84(11)76(3)117-100(92(125)19)67-149(29,30)216-117)133(192)175-110(53-45-61-168-143(160)184-226(206,207)127-86(13)78(5)119-102(94(127)21)69-151(33,34)218-119)135(194)177-112(55-47-63-170-145(162)186-228(210,211)129-88(15)80(7)121-104(96(129)23)71-153(37,38)220-121)137(196)179-113(56-48-64-171-146(163)187-229(212,213)130-89(16)81(8)122-105(97(130)24)72-154(39,40)221-122)138(197)178-111(54-46-62-169-144(161)185-227(208,209)128-87(14)79(6)120-103(95(128)22)70-152(35,36)219-120)136(195)176-109(52-44-60-167-142(159)183-225(204,205)126-85(12)77(4)118-101(93(126)20)68-150(31,32)217-118)134(193)174-107(132(191)172-73-114(188)189)50-42-58-165-140(157)181-223(200,201)124-83(10)75(2)116-99(91(124)18)66-148(27,28)215-116/h106-113H,41-73,155H2,1-40H3,(H,172,191)(H,173,190)(H,174,193)(H,175,192)(H,176,195)(H,177,194)(H,178,197)(H,179,196)(H,188,189)(H3,156,164,180)(H3,157,165,181)(H3,158,166,182)(H3,159,167,183)(H3,160,168,184)(H3,161,169,185)(H3,162,170,186)(H3,163,171,187)/t106-,107-,108-,109-,110-,111-,112-,113-/m0/s1"	Cc1c(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)NS(=O)(=O)c2c(C)c(C)c3c(c2C)CC(C)(C)O3)NC(=O)[C@H](CCCNC(=N)NS(=O)(=O)c2c(C)c(C)c3c(c2C)CC(C)(C)O3)NC(=O)[C@H](CCCNC(=N)NS(=O)(=O)c2c(C)c(C)c3c(c2C)CC(C)(C)O3)NC(=O)[C@H](CCCNC(=N)NS(=O)(=O)c2c(C)c(C)c3c(c2C)CC(C)(C)O3)NC(=O)[C@H](CCCNC(=N)NS(=O)(=O)c2c(C)c(C)c3c(c2C)CC(C)(C)O3)NC(=O)[C@H](CCCNC(=N)NS(=O)(=O)c2c(C)c(C)c3c(c2C)CC(C)(C)O3)NC(=O)[C@@H](N)CCCNC(=N)NS(=O)(=O)c2c(C)c(C)c3c(c2C)CC(C)(C)O3)C(=O)NCC(=O)O)c(C)c2c1OC(C)(C)C2	Cc1c(C)c(S(=O)(=O)NC(=N)NCCCC(N)C(=O)NC(CCCNC(=N)NS(=O)(=O)c2c(C)c(C)c3c(c2C)CC(C)(C)O3)C(=O)NC(CCCNC(=N)NS(=O)(=O)c2c(C)c(C)c3c(c2C)CC(C)(C)O3)C(=O)NC(CCCNC(=N)NS(=O)(=O)c2c(C)c(C)c3c(c2C)CC(C)(C)O3)C(=O)NC(CCCNC(=N)NS(=O)(=O)c2c(C)c(C)c3c(c2C)CC(C)(C)O3)C(=O)NC(CCCNC(=N)NS(=O)(=O)c2c(C)c(C)c3c(c2C)CC(C)(C)O3)C(=O)NC(CCCNC(=N)NS(=O)(=O)c2c(C)c(C)c3c(c2C)CC(C)(C)O3)C(=O)NC(CCCNC(=N)NS(=O)(=O)c2c(C)c(C)c3c(c2C)CC(C)(C)O3)C(=O)NCC(=O)O)c(C)c2c1OC(C)(C)C2	HPVKODRMWSEGER-YNXUWQEISA-N	.							
PDC_01763	Tetrapeptide 46 - Porfirin derivative conjugate 1	29	26	"InChI=1S/C86H96N12O28/c87-86(88)89-33-5-10-55-79(115)90-36-64(103)96-58(35-65(104)105)81(117)98-57(82(118)119)9-3-2-8-56(80(116)97-55)95-63(102)12-6-34-120-59-11-4-1-7-46(59)69-53-31-29-51(93-53)67(41-15-21-44(22-16-41)122-84-77(113)74(110)71(107)61(38-100)125-84)49-27-25-47(91-49)66(40-13-19-43(20-14-40)121-83-76(112)73(109)70(106)60(37-99)124-83)48-26-28-50(92-48)68(52-30-32-54(69)94-52)42-17-23-45(24-18-42)123-85-78(114)75(111)72(108)62(39-101)126-85/h1-4,7,11,13-32,55-58,60-62,70-78,83-85,93-94,99-101,106-114H,5-6,8-10,12,33-39H2,(H,90,115)(H,95,102)(H,96,103)(H,97,116)(H,98,117)(H,104,105)(H,118,119)(H4,87,88,89)/b3-2+,66-47?,66-48?,67-49?,67-51?,68-50?,68-52?,69-53?,69-54?/t55-,56-,57-,58-,60+,61+,62+,70+,71+,72+,73-,74-,75-,76+,77+,78+,83+,84+,85+/m0/s1"	N=C(N)NCCC[C@@H]1NC(=O)[C@@H](NC(=O)CCCOc2ccccc2-c2c3ccc([nH]3)c(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)c3nc(c(-c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4)c4nc(c(-c5ccc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc5)c5ccc2[nH]5)C=C4)C=C3)C/C=C/C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O	N=C(N)NCCCC1NC(=O)C(NC(=O)CCCOc2ccccc2-c2c3ccc([nH]3)c(-c3ccc(OC4OC(CO)C(O)C(O)C4O)cc3)c3nc(c(-c4ccc(OC5OC(CO)C(O)C(O)C5O)cc4)c4nc(c(-c5ccc(OC6OC(CO)C(O)C(O)C6O)cc5)c5ccc2[nH]5)C=C4)C=C3)CC=CCC(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)CNC1=O	WRLKYLDRISFPAC-ASNAXQACSA-N	.							
PDC_01765	Tetrapeptide 46 - Porfirin derivative conjugate 2	41	38	"InChI=1S/C110H120N12O40/c1-52(123)145-49-84-94(148-55(4)126)97(151-58(7)129)100(154-61(10)132)107(160-84)157-67-31-25-64(26-32-67)90-71-37-39-73(115-71)91(65-27-33-68(34-28-65)158-108-101(155-62(11)133)98(152-59(8)130)95(149-56(5)127)85(161-108)50-146-53(2)124)75-41-43-77(117-75)93(78-44-42-76(118-78)92(74-40-38-72(90)116-74)66-29-35-69(36-30-66)159-109-102(156-63(12)134)99(153-60(9)131)96(150-57(6)128)86(162-109)51-147-54(3)125)70-19-13-16-23-83(70)144-46-18-24-87(135)119-80-20-14-15-21-81(106(142)143)122-105(141)82(47-89(137)138)120-88(136)48-114-103(139)79(121-104(80)140)22-17-45-113-110(111)112/h13-16,19,23,25-44,79-82,84-86,94-102,107-109,117-118H,17-18,20-22,24,45-51H2,1-12H3,(H,114,139)(H,119,135)(H,120,136)(H,121,140)(H,122,141)(H,137,138)(H,142,143)(H4,111,112,113)/b15-14+,90-71?,90-72?,91-73?,91-75?,92-74?,92-76?,93-77?,93-78?/t79-,80-,81-,82-,84+,85+,86+,94+,95+,96+,97-,98-,99-,100+,101+,102+,107+,108+,109+/m0/s1"	CC(=O)OC[C@H]1O[C@@H](Oc2ccc(-c3c4nc(c(-c5ccc(O[C@@H]6O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]6OC(C)=O)cc5)c5ccc([nH]5)c(-c5ccccc5OCCCC(=O)N[C@H]5C/C=C/C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC5=O)c5ccc([nH]5)c(-c5ccc(O[C@@H]6O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]6OC(C)=O)cc5)c5nc3C=C5)C=C4)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	CC(=O)OCC1OC(Oc2ccc(-c3c4nc(c(-c5ccc(OC6OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C6OC(C)=O)cc5)c5ccc([nH]5)c(-c5ccccc5OCCCC(=O)NC5CC=CCC(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCNC(=N)N)NC5=O)c5ccc([nH]5)c(-c5ccc(OC6OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C6OC(C)=O)cc5)c5nc3C=C5)C=C4)cc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O	KGRXGZFWADHLSF-CZLWGWQNSA-N	.							
PDC_01767	Tetrapeptide 47 - Porfirin derivative conjugate	45	40	"InChI=1S/C127H145N13O42S/c1-61-62(2)117(63(3)83-56-127(19,20)182-107(61)83)183(160,161)140-125(129)130-53-25-30-93-119(157)131-57-101(154)137-95(55-102(155)181-126(16,17)18)121(159)138-92(118(128)156)28-22-23-29-94(120(158)139-93)136-100(153)32-26-54-162-96-31-24-21-27-82(96)106-90-51-49-88(134-90)104(77-35-41-80(42-36-77)176-123-115(173-74(14)151)112(170-71(11)148)109(167-68(8)145)98(179-123)59-164-65(5)142)86-47-45-84(132-86)103(76-33-39-79(40-34-76)175-122-114(172-73(13)150)111(169-70(10)147)108(166-67(7)144)97(178-122)58-163-64(4)141)85-46-48-87(133-85)105(89-50-52-91(106)135-89)78-37-43-81(44-38-78)177-124-116(174-75(15)152)113(171-72(12)149)110(168-69(9)146)99(180-124)60-165-66(6)143/h21-24,27,31,33-52,92-95,97-99,108-116,122-124,134-135H,25-26,28-30,32,53-60H2,1-20H3,(H2,128,156)(H,131,157)(H,136,153)(H,137,154)(H,138,159)(H,139,158)(H3,129,130,140)/b23-22+,103-84?,103-85?,104-86?,104-88?,105-87?,105-89?,106-90?,106-91?/t92-,93-,94-,95-,97+,98+,99+,108+,109+,110+,111-,112-,113-,114+,115+,116+,122+,123+,124+/m0/s1"	CC(=O)OC[C@H]1O[C@@H](Oc2ccc(-c3c4nc(c(-c5ccc(O[C@@H]6O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]6OC(C)=O)cc5)c5ccc([nH]5)c(-c5ccccc5OCCCC(=O)N[C@H]5C/C=C/C[C@@H](C(N)=O)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)CNC(=O)[C@H](CCCNC(=N)NS(=O)(=O)c6c(C)c(C)c7c(c6C)CC(C)(C)O7)NC5=O)c5ccc([nH]5)c(-c5ccc(O[C@@H]6O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]6OC(C)=O)cc5)c5nc3C=C5)C=C4)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	CC(=O)OCC1OC(Oc2ccc(-c3c4nc(c(-c5ccc(OC6OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C6OC(C)=O)cc5)c5ccc([nH]5)c(-c5ccccc5OCCCC(=O)NC5CC=CCC(C(N)=O)NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)CNC(=O)C(CCCNC(=N)NS(=O)(=O)c6c(C)c(C)c7c(c6C)CC(C)(C)O7)NC5=O)c5ccc([nH]5)c(-c5ccc(OC6OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C6OC(C)=O)cc5)c5nc3C=C5)C=C4)cc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O	QEPYXCBXLPSCSG-JGSCKRARSA-N	.							
PDC_01769	"LRRAXLG - Adenosine 5-(trihydrogen diphosphate), P-anhydride with phosphorothioic acid conjugate"	26	39	"InChI=1S/C46H80N19O22P3S/c1-21(2)13-27(39(73)55-16-32(68)69)63-43(77)29(15-54-31(67)18-91-90(82,83)87-89(80,81)86-88(78,79)84-17-30-34(70)35(71)44(85-30)65-20-58-33-36(47)56-19-57-37(33)65)64-38(72)23(5)59-40(74)25(9-7-11-52-45(48)49)61-41(75)26(10-8-12-53-46(50)51)62-42(76)28(14-22(3)4)60-24(6)66/h19-23,25-30,34-35,44,70-71H,7-18H2,1-6H3,(H,54,67)(H,55,73)(H,59,74)(H,60,66)(H,61,75)(H,62,76)(H,63,77)(H,64,72)(H,68,69)(H,78,79)(H,80,81)(H,82,83)(H2,47,56,57)(H4,48,49,52)(H4,50,51,53)/t23-,25-,26-,27-,28-,29-,30+,34+,35+,44+/m0/s1"	CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CNC(=O)CSP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O	CC(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CNC(=O)CSP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C(=O)NC(CC(C)C)C(=O)NCC(=O)O	GRWCHCPXKAYQRV-WZLZAEJESA-N	.							
PDC_01770	"LRRAXLG - 3,4-dihydro-2,2,5,7,8-pentamethyl-2H-1-benzopyran-6-sulfonic acid conjugate 1"	17	31	"InChI=1S/C62H100N14O15S2/c1-31(2)27-45(54(81)68-30-48(78)79)73-58(85)47(29-63)74-53(80)39(11)69-55(82)43(19-17-25-66-59(64)75-92(86,87)51-35(7)33(5)49-41(37(51)9)21-23-61(13,14)90-49)71-56(83)44(72-57(84)46(28-32(3)4)70-40(12)77)20-18-26-67-60(65)76-93(88,89)52-36(8)34(6)50-42(38(52)10)22-24-62(15,16)91-50/h31-32,39,43-47H,17-30,63H2,1-16H3,(H,68,81)(H,69,82)(H,70,77)(H,71,83)(H,72,84)(H,73,85)(H,74,80)(H,78,79)(H3,64,66,75)(H3,65,67,76)/t39-,43-,44-,45-,46-,47-/m0/s1"	CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CCC(C)(C)O2)C(=O)N[C@@H](CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CCC(C)(C)O2)C(=O)N[C@@H](C)C(=O)N[C@@H](CN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O	CC(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CCC(C)(C)O2)C(=O)NC(CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CCC(C)(C)O2)C(=O)NC(C)C(=O)NC(CN)C(=O)NC(CC(C)C)C(=O)NCC(=O)O	SNGKUQNPOMVOJE-MFHLCRNXSA-N	.							
PDC_01771	"LRRAXLG - 3,4-dihydro-2,2,5,7,8-pentamethyl-2H-1-benzopyran-6-sulfonic acid conjugate 2"	18	34	"InChI=1S/C66H104N14O17S2/c1-18-29-95-64(90)72-32-50(61(89)77-48(30-34(2)3)57(85)71-33-51(82)83)78-56(84)42(12)73-58(86)46(21-19-27-69-62(67)79-98(91,92)54-38(8)36(6)52-44(40(54)10)23-25-65(14,15)96-52)75-59(87)47(76-60(88)49(31-35(4)5)74-43(13)81)22-20-28-70-63(68)80-99(93,94)55-39(9)37(7)53-45(41(55)11)24-26-66(16,17)97-53/h18,34-35,42,46-50H,1,19-33H2,2-17H3,(H,71,85)(H,72,90)(H,73,86)(H,74,81)(H,75,87)(H,76,88)(H,77,89)(H,78,84)(H,82,83)(H3,67,69,79)(H3,68,70,80)/t42-,46-,47-,48-,49-,50-/m0/s1"	C=CCOC(=O)NC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CCC(C)(C)O2)NC(=O)[C@H](CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CCC(C)(C)O2)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O	C=CCOC(=O)NCC(NC(=O)C(C)NC(=O)C(CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CCC(C)(C)O2)NC(=O)C(CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CCC(C)(C)O2)NC(=O)C(CC(C)C)NC(C)=O)C(=O)NC(CC(C)C)C(=O)NCC(=O)O	OLKNNPTUDQTKKR-CHIMUEJESA-N	.							
PDC_01773	GAQVWGFSAK - 4-[(3-Methyl-2(3H)-benzothiazolylidene)methyl]quinoline conjugate	16	45	"InChI=1S/C78H103N15O14S/c1-48(2)70(77(105)89-60(42-53-44-81-56-29-18-16-27-54(53)56)73(101)83-46-68(98)86-59(41-51-25-13-12-14-26-51)75(103)90-61(47-94)76(104)85-50(4)72(100)88-58(78(106)107)30-22-23-38-79)91-74(102)57(35-36-65(80)95)87-71(99)49(3)84-67(97)45-82-66(96)34-15-10-8-6-7-9-11-24-39-93-40-37-52(55-28-17-19-31-62(55)93)43-69-92(5)63-32-20-21-33-64(63)108-69/h12-14,16-21,25-29,31-33,37,40,43-44,48-50,57-61,70,81,94H,6-11,15,22-24,30,34-36,38-39,41-42,45-47,79H2,1-5H3,(H12-,80,82,83,84,85,86,87,88,89,90,91,95,96,97,98,99,100,101,102,103,104,105,106,107)/p+1/t49-,50-,57-,58-,59-,60-,61-,70-/m0/s1"	CC(C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC(=O)CCCCCCCCCC[n+]1ccc(C=C2Sc3ccccc3N2C)c2ccccc21)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)O	CC(NC(=O)CNC(=O)CCCCCCCCCC[n+]1ccc(C=C2Sc3ccccc3N2C)c2ccccc21)C(=O)NC(CCC(N)=O)C(=O)NC(C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(CO)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)O)C(C)C	WVFXCPIDIHRDCK-AVKMWJICSA-O	.							
PDC_01774	KAQSWGKSAK - 4-[(3-Methyl-2(3H)-benzothiazolylidene)methyl]quinoline conjugate	19	51	"InChI=1S/C77H111N17O15S/c1-48(84-72(103)55(27-17-20-37-78)86-66(98)33-10-8-6-4-5-7-9-23-40-94-63-31-15-16-32-64(63)110-68(94)43-50-36-41-93(3)62-30-14-12-25-53(50)62)69(100)88-57(34-35-65(81)97)74(105)92-61(47-96)76(107)90-59(42-51-44-82-54-26-13-11-24-52(51)54)71(102)83-45-67(99)87-56(28-18-21-38-79)73(104)91-60(46-95)75(106)85-49(2)70(101)89-58(77(108)109)29-19-22-39-80/h11-16,24-26,30-32,36,41,43-44,48-49,55-61,82,95-96H,4-10,17-23,27-29,33-35,37-40,42,45-47,78-80H2,1-3H3,(H12-,81,83,84,85,86,87,88,89,90,91,92,97,98,99,100,101,102,103,104,105,106,107,108,109)/p+1/t48-,49-,55-,56-,57-,58-,59-,60-,61-/m0/s1"	C[C@H](NC(=O)[C@H](CCCCN)NC(=O)CCCCCCCCCCN1C(=Cc2cc[n+](C)c3ccccc23)Sc2ccccc21)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)O	CC(NC(=O)C(CCCCN)NC(=O)CCCCCCCCCCN1C(=Cc2cc[n+](C)c3ccccc23)Sc2ccccc21)C(=O)NC(CCC(N)=O)C(=O)NC(CO)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)O	SGARWAAPDFSYHY-APEDHDDMSA-O	.							
PDC_01776	"GLKKG - 3,5,6,7-tetrahydro-6-octyl-1,3,5,7-tetraoxo-benzo[1,2-c:4,5-c]dipyrrole-2(1H)-acetic acid conjugate"	25	43	"InChI=1S/C80H101N11O19/c1-9-12-15-18-21-24-33-86-67(97)47-37-53-54(38-48(47)68(86)98)74(104)89(73(53)103)43-62(92)83-59(29-27-31-82-66(96)61(36-46(4)5)85-64(94)45-91-77(107)57-41-51-52(42-58(57)78(91)108)72(102)88(71(51)101)35-26-23-20-17-14-11-3)65(95)81-32-28-30-60(79(109)110-80(6,7)8)84-63(93)44-90-75(105)55-39-49-50(40-56(55)76(90)106)70(100)87(69(49)99)34-25-22-19-16-13-10-2/h37-42,46,59-61H,9-36,43-45H2,1-8H3,(H,81,95)(H,82,96)(H,83,92)(H,84,93)(H,85,94)/t59-,60-,61-/m0/s1"	CCCCCCCCn1c(=O)c2cc3c(=O)n(CC(=O)N[C@@H](CCCNC(=O)[C@H](CC(C)C)NC(=O)Cn4c(=O)c5cc6c(=O)n(CCCCCCCC)c(=O)c6cc5c4=O)C(=O)NCCC[C@H](NC(=O)Cn4c(=O)c5cc6c(=O)n(CCCCCCCC)c(=O)c6cc5c4=O)C(=O)OC(C)(C)C)c(=O)c3cc2c1=O	CCCCCCCCn1c(=O)c2cc3c(=O)n(CC(=O)NC(CCCNC(=O)C(CC(C)C)NC(=O)Cn4c(=O)c5cc6c(=O)n(CCCCCCCC)c(=O)c6cc5c4=O)C(=O)NCCCC(NC(=O)Cn4c(=O)c5cc6c(=O)n(CCCCCCCC)c(=O)c6cc5c4=O)C(=O)OC(C)(C)C)c(=O)c3cc2c1=O	MONRSFLNYZMELN-XMDLYJNFSA-N	.							
PDC_01777	"Tripeptide 105 - 3,5,6,7-tetrahydro-6-octyl-1,3,5,7-tetraoxo-benzo[1,2-c:4,5-c]dipyrrole-2(1H)-acetic acid conjugate"	17	28	"InChI=1S/C55H71N7O13/c1-8-10-12-14-16-18-23-59-46(66)33-26-37-38(27-34(33)47(59)67)51(71)61(50(37)70)30-43(63)57-41(54(74)75-55(5,6)7)21-20-22-56-45(65)42(25-32(3)4)58-44(64)31-62-52(72)39-28-35-36(29-40(39)53(62)73)49(69)60(48(35)68)24-19-17-15-13-11-9-2/h26-29,32,41-42H,8-25,30-31H2,1-7H3,(H,56,65)(H,57,63)(H,58,64)/t41-,42-/m0/s1"	CCCCCCCCn1c(=O)c2cc3c(=O)n(CC(=O)N[C@@H](CC(C)C)C(=O)NCCC[C@H](NC(=O)Cn4c(=O)c5cc6c(=O)n(CCCCCCCC)c(=O)c6cc5c4=O)C(=O)OC(C)(C)C)c(=O)c3cc2c1=O	CCCCCCCCn1c(=O)c2cc3c(=O)n(CC(=O)NC(CC(C)C)C(=O)NCCCC(NC(=O)Cn4c(=O)c5cc6c(=O)n(CCCCCCCC)c(=O)c6cc5c4=O)C(=O)OC(C)(C)C)c(=O)c3cc2c1=O	ZJPQNTWSRPGCAN-COCZKOEFSA-N	.							
PDC_01778	"XKKKL - 3,5,6,7-tetrahydro-6-octyl-1,3,5,7-tetraoxo-benzo[1,2-c:4,5-c]dipyrrole-2(1H)-acetic acid conjugate 2"	37	94	"InChI=1S/C152H197N17O31/c1-10-16-22-28-34-40-79-164-140(181)105-86-111-112(87-106(105)141(164)182)147(188)167(146(111)187)92-129(170)158-117(63-52-74-153-136(177)118(159-130(171)93-168-148(189)113-88-107-108(89-114(113)149(168)190)143(184)165(142(107)183)80-41-35-29-23-17-11-2)64-53-77-157-139(180)122(85-98(7)8)163-131(172)94-169-150(191)115-90-109-110(91-116(115)151(169)192)145(186)166(144(109)185)81-42-36-30-24-18-12-3)135(176)154-75-54-65-119(160-132(173)95-198-126-71-49-57-99-102(126)60-46-68-123(99)195-82-43-37-31-25-19-13-4)137(178)155-76-55-66-120(161-133(174)96-199-127-72-50-58-100-103(127)61-47-69-124(100)196-83-44-38-32-26-20-14-5)138(179)156-78-56-67-121(152(193)194-9)162-134(175)97-200-128-73-51-59-101-104(128)62-48-70-125(101)197-84-45-39-33-27-21-15-6/h46-51,57-62,68-73,86-91,98,117-122H,10-45,52-56,63-67,74-85,92-97H2,1-9H3,(H,153,177)(H,154,176)(H,155,178)(H,156,179)(H,157,180)(H,158,170)(H,159,171)(H,160,173)(H,161,174)(H,162,175)(H,163,172)/t117-,118-,119-,120-,121-,122-/m0/s1"	CCCCCCCCOc1cccc2c(OCC(=O)N[C@@H](CCCNC(=O)[C@H](CCCNC(=O)[C@H](CCCNC(=O)[C@H](CCCNC(=O)[C@H](CC(C)C)NC(=O)Cn3c(=O)c4cc5c(=O)n(CCCCCCCC)c(=O)c5cc4c3=O)NC(=O)Cn3c(=O)c4cc5c(=O)n(CCCCCCCC)c(=O)c5cc4c3=O)NC(=O)Cn3c(=O)c4cc5c(=O)n(CCCCCCCC)c(=O)c5cc4c3=O)NC(=O)COc3cccc4c(OCCCCCCCC)cccc34)C(=O)NCCC[C@H](NC(=O)COc3cccc4c(OCCCCCCCC)cccc34)C(=O)OC)cccc12	CCCCCCCCOc1cccc2c(OCC(=O)NC(CCCNC(=O)C(CCCNC(=O)C(CCCNC(=O)C(CCCNC(=O)C(CC(C)C)NC(=O)Cn3c(=O)c4cc5c(=O)n(CCCCCCCC)c(=O)c5cc4c3=O)NC(=O)Cn3c(=O)c4cc5c(=O)n(CCCCCCCC)c(=O)c5cc4c3=O)NC(=O)Cn3c(=O)c4cc5c(=O)n(CCCCCCCC)c(=O)c5cc4c3=O)NC(=O)COc3cccc4c(OCCCCCCCC)cccc34)C(=O)NCCCC(NC(=O)COc3cccc4c(OCCCCCCCC)cccc34)C(=O)OC)cccc12	ZRWOYBXOUXDGQR-BDKHRLKKSA-N	.							
PDC_01779	"Tetrapeptide 48 - 3,5,6,7-tetrahydro-6-octyl-1,3,5,7-tetraoxo-benzo[1,2-c:4,5-c]dipyrrole-2(1H)-acetic acid conjugate"	19	32	"InChI=1S/C62H76N8O15/c1-6-8-10-12-14-19-29-67-52(74)39-31-43-44(32-40(39)53(67)75)57(79)69(56(43)78)35-49(71)65-47(25-21-28-64-61(83)84-37-38-23-17-16-18-24-38)51(73)63-27-22-26-48(60(82)85-62(3,4)5)66-50(72)36-70-58(80)45-33-41-42(34-46(45)59(70)81)55(77)68(54(41)76)30-20-15-13-11-9-7-2/h16-18,23-24,31-34,47-48H,6-15,19-22,25-30,35-37H2,1-5H3,(H,63,73)(H,64,83)(H,65,71)(H,66,72)/t47-,48-/m0/s1"	CCCCCCCCn1c(=O)c2cc3c(=O)n(CC(=O)N[C@@H](CCCNC(=O)OCc4ccccc4)C(=O)NCCC[C@H](NC(=O)Cn4c(=O)c5cc6c(=O)n(CCCCCCCC)c(=O)c6cc5c4=O)C(=O)OC(C)(C)C)c(=O)c3cc2c1=O	CCCCCCCCn1c(=O)c2cc3c(=O)n(CC(=O)NC(CCCNC(=O)OCc4ccccc4)C(=O)NCCCC(NC(=O)Cn4c(=O)c5cc6c(=O)n(CCCCCCCC)c(=O)c6cc5c4=O)C(=O)OC(C)(C)C)c(=O)c3cc2c1=O	YLIOOINSRAZCGR-CRKOEVGVSA-N	.							
PDC_01780	"XKKKKL - 3,5,6,7-tetrahydro-6-octyl-1,3,5,7-tetraoxo-benzo[1,2-c:4,5-c]dipyrrole-2(1H)-acetic acid conjugate 2"	29	79	"InChI=1S/C127H167N13O25/c1-9-14-19-24-29-34-69-137-119(150)91-75-95-96(76-92(91)120(137)151)124(155)139(123(95)154)79-110(141)132-99(55-45-67-131-118(149)103(74-84(6)7)136-111(142)80-140-125(156)97-77-93-94(78-98(97)126(140)157)122(153)138(121(93)152)70-35-30-25-20-15-10-2)115(146)128-65-46-56-100(133-112(143)81-163-107-62-42-49-85-88(107)52-39-59-104(85)160-71-36-31-26-21-16-11-3)116(147)129-66-47-57-101(134-113(144)82-164-108-63-43-50-86-89(108)53-40-60-105(86)161-72-37-32-27-22-17-12-4)117(148)130-68-48-58-102(127(158)159-8)135-114(145)83-165-109-64-44-51-87-90(109)54-41-61-106(87)162-73-38-33-28-23-18-13-5/h39-44,49-54,59-64,75-78,84,99-103H,9-38,45-48,55-58,65-74,79-83H2,1-8H3,(H,128,146)(H,129,147)(H,130,148)(H,131,149)(H,132,141)(H,133,143)(H,134,144)(H,135,145)(H,136,142)/t99-,100-,101-,102-,103-/m0/s1"	CCCCCCCCOc1cccc2c(OCC(=O)N[C@@H](CCCNC(=O)[C@H](CCCNC(=O)[C@H](CCCNC(=O)[C@H](CC(C)C)NC(=O)Cn3c(=O)c4cc5c(=O)n(CCCCCCCC)c(=O)c5cc4c3=O)NC(=O)Cn3c(=O)c4cc5c(=O)n(CCCCCCCC)c(=O)c5cc4c3=O)NC(=O)COc3cccc4c(OCCCCCCCC)cccc34)C(=O)NCCC[C@H](NC(=O)COc3cccc4c(OCCCCCCCC)cccc34)C(=O)OC)cccc12	CCCCCCCCOc1cccc2c(OCC(=O)NC(CCCNC(=O)C(CCCNC(=O)C(CCCNC(=O)C(CC(C)C)NC(=O)Cn3c(=O)c4cc5c(=O)n(CCCCCCCC)c(=O)c5cc4c3=O)NC(=O)Cn3c(=O)c4cc5c(=O)n(CCCCCCCC)c(=O)c5cc4c3=O)NC(=O)COc3cccc4c(OCCCCCCCC)cccc34)C(=O)NCCCC(NC(=O)COc3cccc4c(OCCCCCCCC)cccc34)C(=O)OC)cccc12	VYVXPAUMTZCXNG-JYURIQBMSA-N	.							
PDC_01781	"XKKKKL - 3,5,6,7-tetrahydro-6-octyl-1,3,5,7-tetraoxo-benzo[1,2-c:4,5-c]dipyrrole-2(1H)-acetic acid conjugate 1"	33	77	"InChI=1S/C127H163N15O27/c1-9-14-19-24-29-34-63-137-115(152)85-69-91-92(70-86(85)116(137)153)122(159)140(121(91)158)75-106(143)132-97(111(148)129-60-45-53-99(134-109(146)78-168-104-57-41-47-81-83(104)49-39-55-102(81)166-66-37-32-27-22-17-12-4)113(150)130-62-46-54-100(127(164)165-8)135-110(147)79-169-105-58-42-48-82-84(105)50-40-56-103(82)167-67-38-33-28-23-18-13-5)51-43-59-128-112(149)98(133-107(144)76-141-123(160)93-71-87-88(72-94(93)124(141)161)118(155)138(117(87)154)64-35-30-25-20-15-10-2)52-44-61-131-114(151)101(68-80(6)7)136-108(145)77-142-125(162)95-73-89-90(74-96(95)126(142)163)120(157)139(119(89)156)65-36-31-26-21-16-11-3/h39-42,47-50,55-58,69-74,80,97-101H,9-38,43-46,51-54,59-68,75-79H2,1-8H3,(H,128,149)(H,129,148)(H,130,150)(H,131,151)(H,132,143)(H,133,144)(H,134,146)(H,135,147)(H,136,145)/t97-,98-,99-,100-,101-/m0/s1"	CCCCCCCCOc1cccc2c(OCC(=O)N[C@@H](CCCNC(=O)[C@H](CCCNC(=O)[C@H](CCCNC(=O)[C@H](CC(C)C)NC(=O)Cn3c(=O)c4cc5c(=O)n(CCCCCCCC)c(=O)c5cc4c3=O)NC(=O)Cn3c(=O)c4cc5c(=O)n(CCCCCCCC)c(=O)c5cc4c3=O)NC(=O)Cn3c(=O)c4cc5c(=O)n(CCCCCCCC)c(=O)c5cc4c3=O)C(=O)NCCC[C@H](NC(=O)COc3cccc4c(OCCCCCCCC)cccc34)C(=O)OC)cccc12	CCCCCCCCOc1cccc2c(OCC(=O)NC(CCCNC(=O)C(CCCNC(=O)C(CCCNC(=O)C(CC(C)C)NC(=O)Cn3c(=O)c4cc5c(=O)n(CCCCCCCC)c(=O)c5cc4c3=O)NC(=O)Cn3c(=O)c4cc5c(=O)n(CCCCCCCC)c(=O)c5cc4c3=O)NC(=O)Cn3c(=O)c4cc5c(=O)n(CCCCCCCC)c(=O)c5cc4c3=O)C(=O)NCCCC(NC(=O)COc3cccc4c(OCCCCCCCC)cccc34)C(=O)OC)cccc12	WFKPAOCEIMZETB-WDFZNQABSA-N	.							
PDC_01782	"XKKKL - 3,5,6,7-tetrahydro-6-octyl-1,3,5,7-tetraoxo-benzo[1,2-c:4,5-c]dipyrrole-2(1H)-acetic acid conjugate 1"	25	62	"InChI=1S/C102H133N11O21/c1-8-12-16-20-24-28-53-110-94(121)71-58-75-76(59-72(71)95(110)122)99(126)112(98(75)125)62-87(114)106-79(43-36-51-105-93(120)82(57-66(5)6)109-88(115)63-113-100(127)77-60-73-74(61-78(77)101(113)128)97(124)111(96(73)123)54-29-25-21-17-13-9-2)91(118)103-50-37-44-80(107-89(116)64-133-85-48-34-39-67-69(85)41-32-46-83(67)131-55-30-26-22-18-14-10-3)92(119)104-52-38-45-81(102(129)130-7)108-90(117)65-134-86-49-35-40-68-70(86)42-33-47-84(68)132-56-31-27-23-19-15-11-4/h32-35,39-42,46-49,58-61,66,79-82H,8-31,36-38,43-45,50-57,62-65H2,1-7H3,(H,103,118)(H,104,119)(H,105,120)(H,106,114)(H,107,116)(H,108,117)(H,109,115)/t79-,80-,81-,82-/m0/s1"	CCCCCCCCOc1cccc2c(OCC(=O)N[C@@H](CCCNC(=O)[C@H](CCCNC(=O)[C@H](CC(C)C)NC(=O)Cn3c(=O)c4cc5c(=O)n(CCCCCCCC)c(=O)c5cc4c3=O)NC(=O)Cn3c(=O)c4cc5c(=O)n(CCCCCCCC)c(=O)c5cc4c3=O)C(=O)NCCC[C@H](NC(=O)COc3cccc4c(OCCCCCCCC)cccc34)C(=O)OC)cccc12	CCCCCCCCOc1cccc2c(OCC(=O)NC(CCCNC(=O)C(CCCNC(=O)C(CC(C)C)NC(=O)Cn3c(=O)c4cc5c(=O)n(CCCCCCCC)c(=O)c5cc4c3=O)NC(=O)Cn3c(=O)c4cc5c(=O)n(CCCCCCCC)c(=O)c5cc4c3=O)C(=O)NCCCC(NC(=O)COc3cccc4c(OCCCCCCCC)cccc34)C(=O)OC)cccc12	AZWQLRYWPKQVNO-XHCOTUPFSA-N	.							
PDC_01783	"Tetrapeptide 49 - 3,5,6,7-tetrahydro-6-octyl-1,3,5,7-tetraoxo-benzo[1,2-c:4,5-c]dipyrrole-2(1H)-acetic acid conjugate"	17	47	"InChI=1S/C77H103N7O15/c1-7-10-13-16-19-22-43-83-73(90)57-47-59-60(48-58(57)74(83)91)76(93)84(75(59)92)49-68(85)82-63(46-52(4)5)72(89)79-41-29-35-61(80-69(86)50-98-66-39-27-31-53-55(66)33-25-37-64(53)96-44-23-20-17-14-11-8-2)71(88)78-42-30-36-62(77(94)95-6)81-70(87)51-99-67-40-28-32-54-56(67)34-26-38-65(54)97-45-24-21-18-15-12-9-3/h25-28,31-34,37-40,47-48,52,61-63H,7-24,29-30,35-36,41-46,49-51H2,1-6H3,(H,78,88)(H,79,89)(H,80,86)(H,81,87)(H,82,85)/t61-,62-,63-/m0/s1"	CCCCCCCCOc1cccc2c(OCC(=O)N[C@@H](CCCNC(=O)[C@H](CC(C)C)NC(=O)Cn3c(=O)c4cc5c(=O)n(CCCCCCCC)c(=O)c5cc4c3=O)C(=O)NCCC[C@H](NC(=O)COc3cccc4c(OCCCCCCCC)cccc34)C(=O)OC)cccc12	CCCCCCCCOc1cccc2c(OCC(=O)NC(CCCNC(=O)C(CC(C)C)NC(=O)Cn3c(=O)c4cc5c(=O)n(CCCCCCCC)c(=O)c5cc4c3=O)C(=O)NCCCC(NC(=O)COc3cccc4c(OCCCCCCCC)cccc34)C(=O)OC)cccc12	NVSYXOOBOBFFAU-QPUNLCADSA-N	.							
PDC_01784	"Dipeptide 38 - 3,5,6,7-tetrahydro-6-octyl-1,3,5,7-tetraoxo-benzo[1,2-c:4,5-c]dipyrrole-2(1H)-acetic acid conjugate"	18	29	"InChI=1S/C54H70N8O13/c1-6-8-10-12-14-16-24-59-45(66)32-26-36-37(27-33(32)46(59)67)50(71)61(49(36)70)30-42(63)57-40(20-18-22-55)44(65)56-23-19-21-41(53(74)75-54(3,4)5)58-43(64)31-62-51(72)38-28-34-35(29-39(38)52(62)73)48(69)60(47(34)68)25-17-15-13-11-9-7-2/h26-29,40-41H,6-25,30-31,55H2,1-5H3,(H,56,65)(H,57,63)(H,58,64)/t40-,41-/m0/s1"	CCCCCCCCn1c(=O)c2cc3c(=O)n(CC(=O)N[C@@H](CCCN)C(=O)NCCC[C@H](NC(=O)Cn4c(=O)c5cc6c(=O)n(CCCCCCCC)c(=O)c6cc5c4=O)C(=O)OC(C)(C)C)c(=O)c3cc2c1=O	CCCCCCCCn1c(=O)c2cc3c(=O)n(CC(=O)NC(CCCN)C(=O)NCCCC(NC(=O)Cn4c(=O)c5cc6c(=O)n(CCCCCCCC)c(=O)c6cc5c4=O)C(=O)OC(C)(C)C)c(=O)c3cc2c1=O	CKEMYRBYICYJAI-YATWDLPUSA-N	.							
PDC_01785	XASXQSL - Leurubicin conjugate 1	24	31	"InChI=1S/C65H89N9O25/c1-28(2)19-37(60(91)69-36-21-47(98-30(4)53(36)84)99-42-23-65(96,43(79)27-77)22-34-49(42)57(88)51-50(55(34)86)54(85)33-13-9-14-41(97-5)48(33)56(51)87)70-61(92)38(25-75)72-59(90)35(17-18-44(66)80)68-64(95)52(31-11-7-6-8-12-31)73-62(93)39(26-76)71-58(89)29(3)67-63(94)40-20-32(78)24-74(40)45(81)15-10-16-46(82)83/h9,13-14,28-32,35-40,42,47,52-53,75-78,84,86,88,96H,6-8,10-12,15-27H2,1-5H3,(H2,66,80)(H,67,94)(H,68,95)(H,69,91)(H,70,92)(H,71,89)(H,72,90)(H,73,93)(H,82,83)/t29-,30-,32+,35-,36-,37-,38-,39-,40-,42-,47-,52-,53+,65-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)CCCC(=O)O)C2CCCCC2)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(CO)NC(=O)C(C)NC(=O)C2CC(O)CN2C(=O)CCCC(=O)O)C2CCCCC2)C(O)C(C)O1	CZXGBIFEWYVYJY-NPLULESDSA-N	.							
PDC_01786	XASXQSL - Leurubicin conjugate 2	23	27	"InChI=1S/C62H85N9O23/c1-26(2)17-36(57(86)66-35-19-44(93-28(4)50(35)79)94-41-21-62(91,42(77)25-74)20-33-46(41)54(83)48-47(52(33)81)51(80)32-13-10-14-40(92-6)45(32)53(48)82)67-58(87)37(23-72)69-56(85)34(15-16-43(63)78)65-61(90)49(30-11-8-7-9-12-30)70-59(88)38(24-73)68-55(84)27(3)64-60(89)39-18-31(76)22-71(39)29(5)75/h10,13-14,26-28,30-31,34-39,41,44,49-50,72-74,76,79,81,83,91H,7-9,11-12,15-25H2,1-6H3,(H2,63,78)(H,64,89)(H,65,90)(H,66,86)(H,67,87)(H,68,84)(H,69,85)(H,70,88)/t27-,28-,31+,34-,35-,36-,37-,38-,39-,41-,44-,49-,50+,62-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(C)=O)C2CCCCC2)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(CO)NC(=O)C(C)NC(=O)C2CC(O)CN2C(C)=O)C2CCCCC2)C(O)C(C)O1	GCFWZNYMSAWITM-RDJWJDLBSA-N	.							
PDC_01787	"FYPAAKG - 1H-Imidazole-2-carboxamide, N-[1-(3-aminopropyl)-5-[[[5-[[[4-[[2-[[[5-[[[5-[[[5-[[[3-[[3-(dimethylamino)propyl]amino]-3-oxopropyl]amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]amino]carbonyl]-1-methyl-1H-imidazol-4-yl]amino]-4-oxobutyl]amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]amino]carbonyl]-1H-pyrrol-3-yl]-1-methyl-4-[[(1-methyl-1H-imidazol-2-yl)carbonyl]amino] conjugate"	32	51	"InChI=1S/C98H127N31O19/c1-57(107-91(141)71-25-19-40-129(71)98(148)70(43-61-27-29-67(131)30-28-61)115-88(138)69(108-59(3)130)42-60-22-14-13-15-23-60)85(135)106-58(2)86(136)114-68(24-16-17-32-99)87(137)105-49-81(134)101-35-21-39-128-54-66(113-97(147)84-118-78(56-127(84)12)119-95(145)82-102-37-41-121(82)6)48-76(128)94(144)111-63-45-72(122(7)51-63)89(139)103-33-18-26-80(133)116-77-55-126(11)83(117-77)96(146)112-65-47-75(125(10)53-65)93(143)110-64-46-74(124(9)52-64)92(142)109-62-44-73(123(8)50-62)90(140)104-36-31-79(132)100-34-20-38-120(4)5/h13-15,22-23,27-30,37,41,44-48,50-58,68-71,131H,16-21,24-26,31-36,38-40,42-43,49,99H2,1-12H3,(H,100,132)(H,101,134)(H,103,139)(H,104,140)(H,105,137)(H,106,135)(H,107,141)(H,108,130)(H,109,142)(H,110,143)(H,111,144)(H,112,146)(H,113,147)(H,114,136)(H,115,138)(H,116,133)(H,119,145)/t57-,58-,68-,69-,70-,71-/m0/s1"	CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCCCn1cc(NC(=O)c2nc(NC(=O)c3nccn3C)cn2C)cc1C(=O)Nc1cc(C(=O)NCCCC(=O)Nc2cn(C)c(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)Nc5cc(C(=O)NCCC(=O)NCCCN(C)C)n(C)c5)n(C)c4)n(C)c3)n2)n(C)c1	CC(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NCC(=O)NCCCn1cc(NC(=O)c2nc(NC(=O)c3nccn3C)cn2C)cc1C(=O)Nc1cc(C(=O)NCCCC(=O)Nc2cn(C)c(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)Nc5cc(C(=O)NCCC(=O)NCCCN(C)C)n(C)c5)n(C)c4)n(C)c3)n2)n(C)c1	PXGSPTQFJYYGSE-WFGDLKRBSA-N	.							
PDC_01788	"FYPWMKG - 1H-Imidazole-2-carboxamide, N-[1-(3-aminopropyl)-5-[[[5-[[[4-[[2-[[[5-[[[5-[[[5-[[[3-[[3-(dimethylamino)propyl]amino]-3-oxopropyl]amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]amino]carbonyl]-1-methyl-1H-imidazol-4-yl]amino]-4-oxobutyl]amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]amino]carbonyl]-1H-pyrrol-3-yl]-1-methyl-4-[[(1-methyl-1H-imidazol-2-yl)carbonyl]amino] conjugate"	33	56	"InChI=1S/C108H136N32O19S/c1-64(141)117-78(47-65-23-13-12-14-24-65)97(148)126-80(48-66-30-32-73(142)33-31-66)108(159)140-44-20-28-81(140)101(152)125-79(49-67-55-115-75-26-16-15-25-74(67)75)98(149)124-77(35-46-160-11)96(147)123-76(27-17-18-36-109)95(146)116-56-91(145)111-39-22-43-139-61-72(122-107(158)94-129-88(63-138(94)10)130-105(156)92-112-41-45-132(92)4)54-86(139)104(155)120-69-51-82(133(5)58-69)99(150)113-37-19-29-90(144)127-87-62-137(9)93(128-87)106(157)121-71-53-85(136(8)60-71)103(154)119-70-52-84(135(7)59-70)102(153)118-68-50-83(134(6)57-68)100(151)114-40-34-89(143)110-38-21-42-131(2)3/h12-16,23-26,30-33,41,45,50-55,57-63,76-81,115,142H,17-22,27-29,34-40,42-44,46-49,56,109H2,1-11H3,(H,110,143)(H,111,145)(H,113,150)(H,114,151)(H,116,146)(H,117,141)(H,118,153)(H,119,154)(H,120,155)(H,121,157)(H,122,158)(H,123,147)(H,124,149)(H,125,152)(H,126,148)(H,127,144)(H,130,156)/t76-,77-,78-,79-,80-,81-/m0/s1"	CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCCCn1cc(NC(=O)c2nc(NC(=O)c3nccn3C)cn2C)cc1C(=O)Nc1cc(C(=O)NCCCC(=O)Nc2cn(C)c(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)Nc5cc(C(=O)NCCC(=O)NCCCN(C)C)n(C)c5)n(C)c4)n(C)c3)n2)n(C)c1	CSCCC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C1CCCN1C(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1ccccc1)NC(C)=O)C(=O)NC(CCCCN)C(=O)NCC(=O)NCCCn1cc(NC(=O)c2nc(NC(=O)c3nccn3C)cn2C)cc1C(=O)Nc1cc(C(=O)NCCCC(=O)Nc2cn(C)c(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)Nc5cc(C(=O)NCCC(=O)NCCCN(C)C)n(C)c5)n(C)c4)n(C)c3)n2)n(C)c1	WLCGRPNOFMBABM-BMXVAGMKSA-N	.							
PDC_01789	XFWSYKLRPG - Protoporphyrin IX conjugate	18	44	"InChI=1S/C96H118N20O16/c1-9-60-52(5)69-44-70-55(8)63(32-36-86(122)123)76(106-70)47-75-62(54(7)72(107-75)46-74-61(10-2)53(6)71(105-74)45-73(60)104-69)31-34-84(120)100-37-17-16-24-66(87(124)111-77(40-51(3)4)89(126)110-68(25-18-38-101-96(98)99)95(132)116-39-19-26-82(116)94(131)103-49-83(97)119)109-90(127)79(42-57-27-29-59(118)30-28-57)113-93(130)81(50-117)115-92(129)80(43-58-48-102-65-23-15-14-22-64(58)65)114-91(128)78(41-56-20-12-11-13-21-56)112-88(125)67-33-35-85(121)108-67/h9-15,20-23,27-30,44-48,51,66-68,77-82,102,106-107,117-118H,1-2,16-19,24-26,31-43,49-50H2,3-8H3,(H2,97,119)(H,100,120)(H,103,131)(H,108,121)(H,109,127)(H,110,126)(H,111,124)(H,112,125)(H,113,130)(H,114,128)(H,115,129)(H,122,123)(H4,98,99,101)/t66-,67-,68+,77+,78-,79+,80-,81+,82+/m1/s1"	C=CC1=C(C)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5CCC(=O)NCCCC[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O)c(CCC(=O)O)c4C)C(C)=C3C=C	C=CC1=C(C)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)C(C)=C5C=C)c(C)c4CCC(=O)NCCCCC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccccc1)NC(=O)C1CCC(=O)N1)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NCC(N)=O)c(CCC(=O)O)c3C	QIFYEVNVBWPYRJ-JPWIEMDVSA-N	.							
PDC_01790	XHWSYKLRPG - Protoporphyrin IX conjugate	19	44	"InChI=1S/C93H116N22O16/c1-9-57-49(5)66-39-67-52(8)60(27-31-83(121)122)73(105-67)42-72-59(51(7)69(106-72)41-71-58(10-2)50(6)68(104-71)40-70(57)103-66)26-29-81(119)98-32-14-13-19-63(84(123)110-74(35-48(3)4)86(125)109-65(20-15-33-99-93(95)96)92(131)115-34-16-21-79(115)91(130)101-45-80(94)118)108-87(126)75(36-53-22-24-56(117)25-23-53)111-90(129)78(46-116)114-88(127)76(37-54-43-100-62-18-12-11-17-61(54)62)112-89(128)77(38-55-44-97-47-102-55)113-85(124)64-28-30-82(120)107-64/h9-12,17-18,22-25,39-44,47-48,63-65,74-79,100,105-106,116-117H,1-2,13-16,19-21,26-38,45-46H2,3-8H3,(H2,94,118)(H,97,102)(H,98,119)(H,101,130)(H,107,120)(H,108,126)(H,109,125)(H,110,123)(H,111,129)(H,112,128)(H,113,124)(H,114,127)(H,121,122)(H4,95,96,99)/t63-,64+,65+,74+,75+,76+,77+,78+,79+/m1/s1"	C=CC1=C(C)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5CCC(=O)NCCCC[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O)c(CCC(=O)O)c4C)C(C)=C3C=C	C=CC1=C(C)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)C(C)=C5C=C)c(C)c4CCC(=O)NCCCCC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCC(=O)N1)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NCC(N)=O)c(CCC(=O)O)c3C	ZKWAUHCYXSATCM-UBNWVWCVSA-N	.							
PDC_01791	"CKVSVKV - 2-[10,15,20-Tris(4-methylphenyl)-21H,23H-porphin-5-yl]benzenamine conjugate"	15	35	"InChI=1S/C84H103N15O10S/c1-46(2)75(78(87)103)97-79(104)67(16-12-14-42-86)95-83(108)76(47(3)4)99-81(106)68(43-100)96-84(109)77(48(5)6)98-80(105)66(15-11-13-41-85)94-82(107)69(88-52(10)101)44-110-45-70(102)89-57-31-29-56(30-32-57)74-64-39-37-62(92-64)72(54-25-19-50(8)20-26-54)60-35-33-58(90-60)71(53-23-17-49(7)18-24-53)59-34-36-61(91-59)73(63-38-40-65(74)93-63)55-27-21-51(9)22-28-55/h17-40,46-48,66-69,75-77,92-93,100H,11-16,41-45,85-86H2,1-10H3,(H2,87,103)(H,88,101)(H,89,102)(H,94,107)(H,95,108)(H,96,109)(H,97,104)(H,98,105)(H,99,106)/t66-,67-,68-,69-,75-,76-,77-/m0/s1"	CC(=O)N[C@@H](CSCC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccc(C)cc3)c3nc(c(-c4ccc(C)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(N)=O)C(C)C)C(C)C)C(C)C	CC(=O)NC(CSCC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccc(C)cc3)c3nc(c(-c4ccc(C)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)NC(CCCCN)C(=O)NC(C(=O)NC(CO)C(=O)NC(C(=O)NC(CCCCN)C(=O)NC(C(N)=O)C(C)C)C(C)C)C(C)C	LCPXZVLYWUNNPG-BQONBFATSA-N	.							
PDC_01792	"CKVKV - 2-[10,15,20-Tris(4-methylphenyl)-21H,23H-porphin-5-yl]benzenamine conjugate 1"	12	29	"InChI=1S/C76H89N13O7S/c1-43(2)70(72(79)92)88-73(93)63(18-12-14-40-78)87-76(96)71(44(3)4)89-74(94)62(17-11-13-39-77)86-75(95)64(80-48(8)90)41-97-42-65(91)85-53-16-10-9-15-52(53)69-60-37-35-58(83-60)67(50-27-21-46(6)22-28-50)56-33-31-54(81-56)66(49-25-19-45(5)20-26-49)55-32-34-57(82-55)68(59-36-38-61(69)84-59)51-29-23-47(7)24-30-51/h9-10,15-16,19-38,43-44,62-64,70-71,83-84H,11-14,17-18,39-42,77-78H2,1-8H3,(H2,79,92)(H,80,90)(H,85,91)(H,86,95)(H,87,96)(H,88,93)(H,89,94)/t62-,63-,64-,70-,71-/m0/s1"	CC(=O)N[C@@H](CSCC(=O)Nc1ccccc1-c1c2ccc([nH]2)c(-c2ccc(C)cc2)c2nc(c(-c3ccc(C)cc3)c3nc(c(-c4ccc(C)cc4)c4ccc1[nH]4)C=C3)C=C2)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(N)=O)C(C)C)C(C)C	CC(=O)NC(CSCC(=O)Nc1ccccc1-c1c2ccc([nH]2)c(-c2ccc(C)cc2)c2nc(c(-c3ccc(C)cc3)c3nc(c(-c4ccc(C)cc4)c4ccc1[nH]4)C=C3)C=C2)C(=O)NC(CCCCN)C(=O)NC(C(=O)NC(CCCCN)C(=O)NC(C(N)=O)C(C)C)C(C)C	KYWMFIMTONOQPE-JBAFFPJBSA-N	.							
PDC_01793	"CKVKV - 2-[10,15,20-Tris(4-methylphenyl)-21H,23H-porphin-5-yl]benzenamine conjugate 2"	12	29	"InChI=1S/C76H89N13O7S/c1-43(2)70(72(79)92)88-73(93)63(14-10-12-40-78)87-76(96)71(44(3)4)89-74(94)62(13-9-11-39-77)86-75(95)64(80-48(8)90)41-97-42-65(91)81-53-29-27-52(28-30-53)69-60-37-35-58(84-60)67(50-23-17-46(6)18-24-50)56-33-31-54(82-56)66(49-21-15-45(5)16-22-49)55-32-34-57(83-55)68(59-36-38-61(69)85-59)51-25-19-47(7)20-26-51/h15-38,43-44,62-64,70-71,84-85H,9-14,39-42,77-78H2,1-8H3,(H2,79,92)(H,80,90)(H,81,91)(H,86,95)(H,87,96)(H,88,93)(H,89,94)/t62-,63-,64-,70-,71-/m0/s1"	CC(=O)N[C@@H](CSCC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccc(C)cc3)c3nc(c(-c4ccc(C)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(N)=O)C(C)C)C(C)C	CC(=O)NC(CSCC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccc(C)cc3)c3nc(c(-c4ccc(C)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)NC(CCCCN)C(=O)NC(C(=O)NC(CCCCN)C(=O)NC(C(N)=O)C(C)C)C(C)C	KEVMWHFUSYUQSP-JBAFFPJBSA-N	.							
PDC_01794	XASXQSL - Doxorubicin conjugate 2	25	33	"InChI=1S/C79H99N9O25/c1-37(2)27-51(74(104)83-50-29-61(112-39(4)67(50)97)113-56-31-79(109,57(93)35-91)30-47-63(56)71(101)65-64(69(47)99)68(98)46-21-13-22-55(110-5)62(46)70(65)100)84-75(105)52(33-89)86-73(103)49(25-26-58(80)94)82-78(108)66(40-15-7-6-8-16-40)87-76(106)53(34-90)85-72(102)38(3)81-77(107)54-28-41(92)32-88(54)59(95)23-14-24-60(96)111-36-48-44-19-11-9-17-42(44)43-18-10-12-20-45(43)48/h9-13,17-22,37-41,48-54,56,61,66-67,89-92,97,99,101,109H,6-8,14-16,23-36H2,1-5H3,(H2,80,94)(H,81,107)(H,82,108)(H,83,104)(H,84,105)(H,85,102)(H,86,103)(H,87,106)/t38-,39-,41+,49-,50-,51-,52-,53-,54-,56-,61-,66-,67+,79-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)CCCC(=O)OCC2c3ccccc3-c3ccccc32)C2CCCCC2)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(CO)NC(=O)C(C)NC(=O)C2CC(O)CN2C(=O)CCCC(=O)OCC2c3ccccc3-c3ccccc32)C2CCCCC2)C(O)C(C)O1	HWEZHJVLOGJHED-KYSFNKOOSA-N	.							
PDC_01795	Unnatural heptapeptide 1 - Fluorenone-2-carboxylic acid conjugate 1	24	37	"InChI=1S/C72H83N23O18/c1-37-31-93(70(111)90-58(37)101)32-49(61(104)83-47(57(73)100)20-12-27-79-67(74)75)84-63(106)51(35-95-65(108)43-17-8-10-19-46(43)88-72(95)113)85-62(105)50(34-94-64(107)42-16-7-9-18-45(42)87-71(94)112)82-55(98)36-91(2)66(109)52(33-92-29-25-54(97)89-69(92)110)86-60(103)48(21-13-28-80-68(76)77)81-53(96)22-4-3-11-26-78-59(102)38-23-24-40-39-14-5-6-15-41(39)56(99)44(40)30-38/h5-10,14-19,23-25,29-31,47-52H,3-4,11-13,20-22,26-28,32-36H2,1-2H3,(H2,73,100)(H,78,102)(H,81,96)(H,82,98)(H,83,104)(H,84,106)(H,85,105)(H,86,103)(H,87,112)(H,88,113)(H4,74,75,79)(H4,76,77,80)(H,89,97,110)(H,90,101,111)/t47-,48-,49+,50+,51+,52+/m0/s1"	Cc1cn(C[C@@H](NC(=O)[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)CN(C)C(=O)[C@@H](Cn2ccc(=O)[nH]c2=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)c(=O)[nH]c1=O	Cc1cn(CC(NC(=O)C(Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)C(Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)CN(C)C(=O)C(Cn2ccc(=O)[nH]c2=O)NC(=O)C(CCCNC(=N)N)NC(=O)CCCCCNC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)C(=O)NC(CCCNC(=N)N)C(N)=O)c(=O)[nH]c1=O	DJISBKVBJFWRCP-XCXRTDMZSA-N	.							
PDC_01796	Unnatural heptapeptide 1 - Fluorenone-2-carboxylic acid conjugate 2	24	35	"InChI=1S/C70H79N23O18/c1-35-29-91(68(109)88-56(35)99)30-47(59(102)81-45(55(71)98)18-9-25-77-65(72)73)82-61(104)49(33-93-63(106)41-15-6-8-17-44(41)86-70(93)111)83-60(103)48(32-92-62(105)40-14-5-7-16-43(40)85-69(92)110)80-53(96)34-89(2)64(107)50(31-90-27-23-52(95)87-67(90)108)84-58(101)46(19-10-26-78-66(74)75)79-51(94)20-11-24-76-57(100)36-21-22-38-37-12-3-4-13-39(37)54(97)42(38)28-36/h3-8,12-17,21-23,27-29,45-50H,9-11,18-20,24-26,30-34H2,1-2H3,(H2,71,98)(H,76,100)(H,79,94)(H,80,96)(H,81,102)(H,82,104)(H,83,103)(H,84,101)(H,85,110)(H,86,111)(H4,72,73,77)(H4,74,75,78)(H,87,95,108)(H,88,99,109)/t45-,46-,47+,48+,49+,50+/m0/s1"	Cc1cn(C[C@@H](NC(=O)[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)CN(C)C(=O)[C@@H](Cn2ccc(=O)[nH]c2=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCNC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)c(=O)[nH]c1=O	Cc1cn(CC(NC(=O)C(Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)C(Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)CN(C)C(=O)C(Cn2ccc(=O)[nH]c2=O)NC(=O)C(CCCNC(=N)N)NC(=O)CCCNC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)C(=O)NC(CCCNC(=N)N)C(N)=O)c(=O)[nH]c1=O	SQWRKKRAQKWUMQ-AHOUVKKWSA-N	.							
PDC_01797	Unnatural heptapeptide 2 - Fluorenone-2-carboxylic acid conjugate	25	36	"InChI=1S/C71H80N24O19/c1-35-29-93(69(112)90-57(35)102)30-47(60(105)83-45(56(72)101)17-9-23-78-66(73)74)84-62(107)49(33-95-64(109)41-14-6-8-16-44(41)88-71(95)114)85-61(106)48(32-94-63(108)40-13-5-7-15-43(40)87-70(94)113)82-54(99)34-91(2)65(110)50(31-92-26-22-52(97)89-68(92)111)86-59(104)46(18-10-24-79-67(75)76)81-53(98)28-80-51(96)21-25-77-58(103)36-19-20-38-37-11-3-4-12-39(37)55(100)42(38)27-36/h3-8,11-16,19-20,22,26-27,29,45-50H,9-10,17-18,21,23-25,28,30-34H2,1-2H3,(H2,72,101)(H,77,103)(H,80,96)(H,81,98)(H,82,99)(H,83,105)(H,84,107)(H,85,106)(H,86,104)(H,87,113)(H,88,114)(H4,73,74,78)(H4,75,76,79)(H,89,97,111)(H,90,102,112)/t45-,46-,47+,48+,49+,50+/m0/s1"	Cc1cn(C[C@@H](NC(=O)[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)CN(C)C(=O)[C@@H](Cn2ccc(=O)[nH]c2=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CCNC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)c(=O)[nH]c1=O	Cc1cn(CC(NC(=O)C(Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)C(Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)CN(C)C(=O)C(Cn2ccc(=O)[nH]c2=O)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)CCNC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)C(=O)NC(CCCNC(=N)N)C(N)=O)c(=O)[nH]c1=O	JLBJCOWGORDQMD-AHOUVKKWSA-N	.							
PDC_01798	Unnatural heptapeptide 3 - Fluorenone-2-carboxylic acid conjugate	25	35	"InChI=1S/C70H78N24O19/c1-34-28-92(68(111)89-56(34)101)29-46(59(104)82-44(55(71)100)17-9-22-76-65(72)73)83-61(106)48(32-94-63(108)40-14-6-8-16-43(40)87-70(94)113)84-60(105)47(31-93-62(107)39-13-5-7-15-42(39)86-69(93)112)81-53(98)33-90(2)64(109)49(30-91-24-21-50(95)88-67(91)110)85-58(103)45(18-10-23-77-66(74)75)80-52(97)27-78-51(96)26-79-57(102)35-19-20-37-36-11-3-4-12-38(36)54(99)41(37)25-35/h3-8,11-16,19-21,24-25,28,44-49H,9-10,17-18,22-23,26-27,29-33H2,1-2H3,(H2,71,100)(H,78,96)(H,79,102)(H,80,97)(H,81,98)(H,82,104)(H,83,106)(H,84,105)(H,85,103)(H,86,112)(H,87,113)(H4,72,73,76)(H4,74,75,77)(H,88,95,110)(H,89,101,111)/t44-,45-,46+,47+,48+,49+/m0/s1"	Cc1cn(C[C@@H](NC(=O)[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)CN(C)C(=O)[C@@H](Cn2ccc(=O)[nH]c2=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)c(=O)[nH]c1=O	Cc1cn(CC(NC(=O)C(Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)C(Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)CN(C)C(=O)C(Cn2ccc(=O)[nH]c2=O)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)C(=O)NC(CCCNC(=N)N)C(N)=O)c(=O)[nH]c1=O	YHJYIAAEMRFDEI-RNVBNYKFSA-N	.							
PDC_01799	Unnatural heptapeptide 1 - Fluorenone-2-carboxylic acid conjugate 3	24	34	"InChI=1S/C69H77N23O18/c1-34-28-90(67(108)87-55(34)98)29-46(58(101)80-44(54(70)97)17-9-23-76-64(71)72)81-60(103)48(32-92-62(105)40-14-6-8-16-43(40)85-69(92)110)82-59(102)47(31-91-61(104)39-13-5-7-15-42(39)84-68(91)109)79-52(95)33-88(2)63(106)49(30-89-26-22-51(94)86-66(89)107)83-57(100)45(18-10-24-77-65(73)74)78-50(93)21-25-75-56(99)35-19-20-37-36-11-3-4-12-38(36)53(96)41(37)27-35/h3-8,11-16,19-20,22,26-28,44-49H,9-10,17-18,21,23-25,29-33H2,1-2H3,(H2,70,97)(H,75,99)(H,78,93)(H,79,95)(H,80,101)(H,81,103)(H,82,102)(H,83,100)(H,84,109)(H,85,110)(H4,71,72,76)(H4,73,74,77)(H,86,94,107)(H,87,98,108)/t44-,45-,46+,47+,48+,49+/m0/s1"	Cc1cn(C[C@@H](NC(=O)[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)CN(C)C(=O)[C@@H](Cn2ccc(=O)[nH]c2=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCNC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)c(=O)[nH]c1=O	Cc1cn(CC(NC(=O)C(Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)C(Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)CN(C)C(=O)C(Cn2ccc(=O)[nH]c2=O)NC(=O)C(CCCNC(=N)N)NC(=O)CCNC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)C(=O)NC(CCCNC(=N)N)C(N)=O)c(=O)[nH]c1=O	JVGUGSMQACGJBN-RNVBNYKFSA-N	.							
PDC_01800	Unnatural heptapeptide 4 - Fluorenone-2-carboxylic acid conjugate	24	33	"InChI=1S/C68H75N23O18/c1-33-27-89(66(107)86-54(33)97)28-45(57(100)79-43(53(69)96)17-9-22-74-63(70)71)80-59(102)47(31-91-61(104)39-14-6-8-16-42(39)84-68(91)109)81-58(101)46(30-90-60(103)38-13-5-7-15-41(38)83-67(90)108)78-51(94)32-87(2)62(105)48(29-88-24-21-49(92)85-65(88)106)82-56(99)44(18-10-23-75-64(72)73)77-50(93)26-76-55(98)34-19-20-36-35-11-3-4-12-37(35)52(95)40(36)25-34/h3-8,11-16,19-21,24-25,27,43-48H,9-10,17-18,22-23,26,28-32H2,1-2H3,(H2,69,96)(H,76,98)(H,77,93)(H,78,94)(H,79,100)(H,80,102)(H,81,101)(H,82,99)(H,83,108)(H,84,109)(H4,70,71,74)(H4,72,73,75)(H,85,92,106)(H,86,97,107)/t43-,44-,45+,46+,47+,48+/m0/s1"	Cc1cn(C[C@@H](NC(=O)[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)CN(C)C(=O)[C@@H](Cn2ccc(=O)[nH]c2=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)c(=O)[nH]c1=O	Cc1cn(CC(NC(=O)C(Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)C(Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)CN(C)C(=O)C(Cn2ccc(=O)[nH]c2=O)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)C(=O)NC(CCCNC(=N)N)C(N)=O)c(=O)[nH]c1=O	MZICMLSRJYVWOL-XZDVQWHVSA-N	.							
PDC_01801	Unnatural heptapeptide 1 - 2-Anthraquinonecarboxylic acid conjugate 1	25	37	"InChI=1S/C73H83N23O19/c1-37-31-94(71(113)91-59(37)103)32-49(62(106)84-47(58(74)102)20-12-27-80-68(75)76)85-64(108)51(35-96-66(110)43-17-8-10-19-46(43)89-73(96)115)86-63(107)50(34-95-65(109)42-16-7-9-18-45(42)88-72(95)114)83-55(99)36-92(2)67(111)52(33-93-29-25-54(98)90-70(93)112)87-61(105)48(21-13-28-81-69(77)78)82-53(97)22-4-3-11-26-79-60(104)38-23-24-41-44(30-38)57(101)40-15-6-5-14-39(40)56(41)100/h5-10,14-19,23-25,29-31,47-52H,3-4,11-13,20-22,26-28,32-36H2,1-2H3,(H2,74,102)(H,79,104)(H,82,97)(H,83,99)(H,84,106)(H,85,108)(H,86,107)(H,87,105)(H,88,114)(H,89,115)(H4,75,76,80)(H4,77,78,81)(H,90,98,112)(H,91,103,113)/t47-,48-,49+,50+,51+,52+/m0/s1"	Cc1cn(C[C@@H](NC(=O)[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)CN(C)C(=O)[C@@H](Cn2ccc(=O)[nH]c2=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)c(=O)[nH]c1=O	Cc1cn(CC(NC(=O)C(Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)C(Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)CN(C)C(=O)C(Cn2ccc(=O)[nH]c2=O)NC(=O)C(CCCNC(=N)N)NC(=O)CCCCCNC(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)C(=O)NC(CCCNC(=N)N)C(N)=O)c(=O)[nH]c1=O	RNEPCXVIGHWBNF-XCXRTDMZSA-N	.							
PDC_01802	Unnatural heptapeptide 1 - 2-Anthraquinonecarboxylic acid conjugate 2	25	35	"InChI=1S/C71H79N23O19/c1-35-29-92(69(111)89-57(35)101)30-47(60(104)82-45(56(72)100)18-9-25-78-66(73)74)83-62(106)49(33-94-64(108)41-15-6-8-17-44(41)87-71(94)113)84-61(105)48(32-93-63(107)40-14-5-7-16-43(40)86-70(93)112)81-53(97)34-90(2)65(109)50(31-91-27-23-52(96)88-68(91)110)85-59(103)46(19-10-26-79-67(75)76)80-51(95)20-11-24-77-58(102)36-21-22-39-42(28-36)55(99)38-13-4-3-12-37(38)54(39)98/h3-8,12-17,21-23,27-29,45-50H,9-11,18-20,24-26,30-34H2,1-2H3,(H2,72,100)(H,77,102)(H,80,95)(H,81,97)(H,82,104)(H,83,106)(H,84,105)(H,85,103)(H,86,112)(H,87,113)(H4,73,74,78)(H4,75,76,79)(H,88,96,110)(H,89,101,111)/t45-,46-,47+,48+,49+,50+/m0/s1"	Cc1cn(C[C@@H](NC(=O)[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)CN(C)C(=O)[C@@H](Cn2ccc(=O)[nH]c2=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCNC(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)c(=O)[nH]c1=O	Cc1cn(CC(NC(=O)C(Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)C(Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)CN(C)C(=O)C(Cn2ccc(=O)[nH]c2=O)NC(=O)C(CCCNC(=N)N)NC(=O)CCCNC(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)C(=O)NC(CCCNC(=N)N)C(N)=O)c(=O)[nH]c1=O	GXBFEOJVWFWROI-AHOUVKKWSA-N	.							
PDC_01803	Unnatural heptapeptide 2 - 2-Anthraquinonecarboxylic acid conjugate	26	36	"InChI=1S/C72H80N24O20/c1-35-29-94(70(114)91-58(35)104)30-47(61(107)84-45(57(73)103)17-9-23-79-67(74)75)85-63(109)49(33-96-65(111)41-14-6-8-16-44(41)89-72(96)116)86-62(108)48(32-95-64(110)40-13-5-7-15-43(40)88-71(95)115)83-54(100)34-92(2)66(112)50(31-93-26-22-52(98)90-69(93)113)87-60(106)46(18-10-24-80-68(76)77)82-53(99)28-81-51(97)21-25-78-59(105)36-19-20-39-42(27-36)56(102)38-12-4-3-11-37(38)55(39)101/h3-8,11-16,19-20,22,26-27,29,45-50H,9-10,17-18,21,23-25,28,30-34H2,1-2H3,(H2,73,103)(H,78,105)(H,81,97)(H,82,99)(H,83,100)(H,84,107)(H,85,109)(H,86,108)(H,87,106)(H,88,115)(H,89,116)(H4,74,75,79)(H4,76,77,80)(H,90,98,113)(H,91,104,114)/t45-,46-,47+,48+,49+,50+/m0/s1"	Cc1cn(C[C@@H](NC(=O)[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)CN(C)C(=O)[C@@H](Cn2ccc(=O)[nH]c2=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CCNC(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)c(=O)[nH]c1=O	Cc1cn(CC(NC(=O)C(Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)C(Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)CN(C)C(=O)C(Cn2ccc(=O)[nH]c2=O)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)CCNC(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)C(=O)NC(CCCNC(=N)N)C(N)=O)c(=O)[nH]c1=O	BHFASLMZNAQNCK-AHOUVKKWSA-N	.							
PDC_01804	Unnatural heptapeptide 3 - 2-Anthraquinonecarboxylic acid conjugate	26	35	"InChI=1S/C71H78N24O20/c1-34-28-93(69(113)90-57(34)103)29-46(60(106)83-44(56(72)102)17-9-22-77-66(73)74)84-62(108)48(32-95-64(110)40-14-6-8-16-43(40)88-71(95)115)85-61(107)47(31-94-63(109)39-13-5-7-15-42(39)87-70(94)114)82-53(99)33-91(2)65(111)49(30-92-24-21-50(96)89-68(92)112)86-59(105)45(18-10-23-78-67(75)76)81-52(98)27-79-51(97)26-80-58(104)35-19-20-38-41(25-35)55(101)37-12-4-3-11-36(37)54(38)100/h3-8,11-16,19-21,24-25,28,44-49H,9-10,17-18,22-23,26-27,29-33H2,1-2H3,(H2,72,102)(H,79,97)(H,80,104)(H,81,98)(H,82,99)(H,83,106)(H,84,108)(H,85,107)(H,86,105)(H,87,114)(H,88,115)(H4,73,74,77)(H4,75,76,78)(H,89,96,112)(H,90,103,113)/t44-,45-,46+,47+,48+,49+/m0/s1"	Cc1cn(C[C@@H](NC(=O)[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)CN(C)C(=O)[C@@H](Cn2ccc(=O)[nH]c2=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)c(=O)[nH]c1=O	Cc1cn(CC(NC(=O)C(Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)C(Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)CN(C)C(=O)C(Cn2ccc(=O)[nH]c2=O)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)C(=O)NC(CCCNC(=N)N)C(N)=O)c(=O)[nH]c1=O	ZIGQYPISRSMXEQ-RNVBNYKFSA-N	.							
PDC_01805	Unnatural heptapeptide 1 - 2-Anthraquinonecarboxylic acid conjugate 3	25	34	"InChI=1S/C70H77N23O19/c1-34-28-91(68(110)88-56(34)100)29-46(59(103)81-44(55(71)99)17-9-23-77-65(72)73)82-61(105)48(32-93-63(107)40-14-6-8-16-43(40)86-70(93)112)83-60(104)47(31-92-62(106)39-13-5-7-15-42(39)85-69(92)111)80-52(96)33-89(2)64(108)49(30-90-26-22-51(95)87-67(90)109)84-58(102)45(18-10-24-78-66(74)75)79-50(94)21-25-76-57(101)35-19-20-38-41(27-35)54(98)37-12-4-3-11-36(37)53(38)97/h3-8,11-16,19-20,22,26-28,44-49H,9-10,17-18,21,23-25,29-33H2,1-2H3,(H2,71,99)(H,76,101)(H,79,94)(H,80,96)(H,81,103)(H,82,105)(H,83,104)(H,84,102)(H,85,111)(H,86,112)(H4,72,73,77)(H4,74,75,78)(H,87,95,109)(H,88,100,110)/t44-,45-,46+,47+,48+,49+/m0/s1"	Cc1cn(C[C@@H](NC(=O)[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)CN(C)C(=O)[C@@H](Cn2ccc(=O)[nH]c2=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCNC(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)c(=O)[nH]c1=O	Cc1cn(CC(NC(=O)C(Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)C(Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)CN(C)C(=O)C(Cn2ccc(=O)[nH]c2=O)NC(=O)C(CCCNC(=N)N)NC(=O)CCNC(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)C(=O)NC(CCCNC(=N)N)C(N)=O)c(=O)[nH]c1=O	WMTCTGRITBMMCC-RNVBNYKFSA-N	.							
PDC_01806	Unnatural heptapeptide 4 - 9-Acridinecarboxylic acid conjugate 1	25	33	"InChI=1S/C69H75N23O19/c1-33-27-90(67(109)87-55(33)99)28-45(58(102)80-43(54(70)98)17-9-22-75-64(71)72)81-60(104)47(31-92-62(106)39-14-6-8-16-42(39)85-69(92)111)82-59(103)46(30-91-61(105)38-13-5-7-15-41(38)84-68(91)110)79-51(95)32-88(2)63(107)48(29-89-24-21-49(93)86-66(89)108)83-57(101)44(18-10-23-76-65(73)74)78-50(94)26-77-56(100)34-19-20-37-40(25-34)53(97)36-12-4-3-11-35(36)52(37)96/h3-8,11-16,19-21,24-25,27,43-48H,9-10,17-18,22-23,26,28-32H2,1-2H3,(H2,70,98)(H,77,100)(H,78,94)(H,79,95)(H,80,102)(H,81,104)(H,82,103)(H,83,101)(H,84,110)(H,85,111)(H4,71,72,75)(H4,73,74,76)(H,86,93,108)(H,87,99,109)/t43-,44-,45+,46+,47+,48+/m0/s1"	Cc1cn(C[C@@H](NC(=O)[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)CN(C)C(=O)[C@@H](Cn2ccc(=O)[nH]c2=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)c(=O)[nH]c1=O	Cc1cn(CC(NC(=O)C(Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)C(Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)CN(C)C(=O)C(Cn2ccc(=O)[nH]c2=O)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)C(=O)NC(CCCNC(=N)N)C(N)=O)c(=O)[nH]c1=O	MYGSQWOKAYTOQK-XZDVQWHVSA-N	.							
PDC_01807	Unnatural heptapeptide 1 - 9-Acridinecarboxylic acid conjugate 1	23	37	"InChI=1S/C73H85N23O17/c1-39-33-94(71(111)91-59(39)101)34-50(61(103)84-48(58(74)100)24-14-29-80-68(75)76)85-63(105)52(37-96-66(108)45-21-10-12-23-47(45)89-73(96)113)86-62(104)51(36-95-65(107)44-20-9-11-22-46(44)88-72(95)112)83-56(99)38-92(2)67(109)53(35-93-31-27-55(98)90-70(93)110)87-60(102)49(25-15-30-81-69(77)78)82-54(97)26-4-3-13-28-79-64(106)57-42-18-7-5-16-40(42)32-41-17-6-8-19-43(41)57/h5-12,16-23,27,31-33,48-53H,3-4,13-15,24-26,28-30,34-38H2,1-2H3,(H2,74,100)(H,79,106)(H,82,97)(H,83,99)(H,84,103)(H,85,105)(H,86,104)(H,87,102)(H,88,112)(H,89,113)(H4,75,76,80)(H4,77,78,81)(H,90,98,110)(H,91,101,111)/t48-,49-,50+,51+,52+,53+/m0/s1"	Cc1cn(C[C@@H](NC(=O)[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)CN(C)C(=O)[C@@H](Cn2ccc(=O)[nH]c2=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)c2c3ccccc3cc3ccccc23)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)c(=O)[nH]c1=O	Cc1cn(CC(NC(=O)C(Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)C(Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)CN(C)C(=O)C(Cn2ccc(=O)[nH]c2=O)NC(=O)C(CCCNC(=N)N)NC(=O)CCCCCNC(=O)c2c3ccccc3cc3ccccc23)C(=O)NC(CCCNC(=N)N)C(N)=O)c(=O)[nH]c1=O	PSVCRIZRHDLVBB-WBMRJHGCSA-N	.							
PDC_01808	Unnatural heptapeptide 1 - 9-Acridinecarboxylic acid conjugate 2	23	35	"InChI=1S/C71H81N23O17/c1-37-31-92(69(109)89-57(37)99)32-48(59(101)82-46(56(72)98)22-11-27-78-66(73)74)83-61(103)50(35-94-64(106)43-19-8-10-21-45(43)87-71(94)111)84-60(102)49(34-93-63(105)42-18-7-9-20-44(42)86-70(93)110)81-54(97)36-90(2)65(107)51(33-91-29-25-53(96)88-68(91)108)85-58(100)47(23-12-28-79-67(75)76)80-52(95)24-13-26-77-62(104)55-40-16-5-3-14-38(40)30-39-15-4-6-17-41(39)55/h3-10,14-21,25,29-31,46-51H,11-13,22-24,26-28,32-36H2,1-2H3,(H2,72,98)(H,77,104)(H,80,95)(H,81,97)(H,82,101)(H,83,103)(H,84,102)(H,85,100)(H,86,110)(H,87,111)(H4,73,74,78)(H4,75,76,79)(H,88,96,108)(H,89,99,109)/t46-,47-,48+,49+,50+,51+/m0/s1"	Cc1cn(C[C@@H](NC(=O)[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)CN(C)C(=O)[C@@H](Cn2ccc(=O)[nH]c2=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCNC(=O)c2c3ccccc3cc3ccccc23)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)c(=O)[nH]c1=O	Cc1cn(CC(NC(=O)C(Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)C(Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)CN(C)C(=O)C(Cn2ccc(=O)[nH]c2=O)NC(=O)C(CCCNC(=N)N)NC(=O)CCCNC(=O)c2c3ccccc3cc3ccccc23)C(=O)NC(CCCNC(=N)N)C(N)=O)c(=O)[nH]c1=O	XIAFTXMWIDWNMS-DBRHVCOJSA-N	.							
PDC_01809	Unnatural heptapeptide 2 - 9-Acridinecarboxylic acid conjugate	24	36	"InChI=1S/C72H82N24O18/c1-37-31-94(70(112)91-58(37)102)32-48(60(104)84-46(57(73)101)21-11-25-79-67(74)75)85-62(106)50(35-96-65(109)43-18-8-10-20-45(43)89-72(96)114)86-61(105)49(34-95-64(108)42-17-7-9-19-44(42)88-71(95)113)83-55(100)36-92(2)66(110)51(33-93-28-24-53(98)90-69(93)111)87-59(103)47(22-12-26-80-68(76)77)82-54(99)30-81-52(97)23-27-78-63(107)56-40-15-5-3-13-38(40)29-39-14-4-6-16-41(39)56/h3-10,13-20,24,28-29,31,46-51H,11-12,21-23,25-27,30,32-36H2,1-2H3,(H2,73,101)(H,78,107)(H,81,97)(H,82,99)(H,83,100)(H,84,104)(H,85,106)(H,86,105)(H,87,103)(H,88,113)(H,89,114)(H4,74,75,79)(H4,76,77,80)(H,90,98,111)(H,91,102,112)/t46-,47-,48+,49+,50+,51+/m0/s1"	Cc1cn(C[C@@H](NC(=O)[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)CN(C)C(=O)[C@@H](Cn2ccc(=O)[nH]c2=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CCNC(=O)c2c3ccccc3cc3ccccc23)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)c(=O)[nH]c1=O	Cc1cn(CC(NC(=O)C(Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)C(Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)CN(C)C(=O)C(Cn2ccc(=O)[nH]c2=O)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)CCNC(=O)c2c3ccccc3cc3ccccc23)C(=O)NC(CCCNC(=N)N)C(N)=O)c(=O)[nH]c1=O	QJKLYTIRZQZSIZ-DBRHVCOJSA-N	.							
PDC_01810	Unnatural heptapeptide 3 - 9-Acridinecarboxylic acid conjugate1	24	35	"InChI=1S/C71H80N24O18/c1-36-30-93(69(111)90-57(36)101)31-47(59(103)83-45(56(72)100)21-11-24-77-66(73)74)84-61(105)49(34-95-64(108)42-18-8-10-20-44(42)88-71(95)113)85-60(104)48(33-94-63(107)41-17-7-9-19-43(41)87-70(94)112)82-54(99)35-91(2)65(109)50(32-92-26-23-51(96)89-68(92)110)86-58(102)46(22-12-25-78-67(75)76)81-53(98)29-79-52(97)28-80-62(106)55-39-15-5-3-13-37(39)27-38-14-4-6-16-40(38)55/h3-10,13-20,23,26-27,30,45-50H,11-12,21-22,24-25,28-29,31-35H2,1-2H3,(H2,72,100)(H,79,97)(H,80,106)(H,81,98)(H,82,99)(H,83,103)(H,84,105)(H,85,104)(H,86,102)(H,87,112)(H,88,113)(H4,73,74,77)(H4,75,76,78)(H,89,96,110)(H,90,101,111)/t45-,46-,47+,48+,49+,50+/m0/s1"	Cc1cn(C[C@@H](NC(=O)[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)CN(C)C(=O)[C@@H](Cn2ccc(=O)[nH]c2=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)c2c3ccccc3cc3ccccc23)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)c(=O)[nH]c1=O	Cc1cn(CC(NC(=O)C(Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)C(Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)CN(C)C(=O)C(Cn2ccc(=O)[nH]c2=O)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)c2c3ccccc3cc3ccccc23)C(=O)NC(CCCNC(=N)N)C(N)=O)c(=O)[nH]c1=O	BJJJAGNPMQZUOR-AHOUVKKWSA-N	.							
PDC_01811	Unnatural heptapeptide 1 - 9-Acridinecarboxylic acid conjugate 3	23	34	"InChI=1S/C70H79N23O17/c1-36-30-91(68(108)88-56(36)98)31-47(58(100)81-45(55(71)97)21-11-25-77-65(72)73)82-60(102)49(34-93-63(105)42-18-8-10-20-44(42)86-70(93)110)83-59(101)48(33-92-62(104)41-17-7-9-19-43(41)85-69(92)109)80-53(96)35-89(2)64(106)50(32-90-28-24-52(95)87-67(90)107)84-57(99)46(22-12-26-78-66(74)75)79-51(94)23-27-76-61(103)54-39-15-5-3-13-37(39)29-38-14-4-6-16-40(38)54/h3-10,13-20,24,28-30,45-50H,11-12,21-23,25-27,31-35H2,1-2H3,(H2,71,97)(H,76,103)(H,79,94)(H,80,96)(H,81,100)(H,82,102)(H,83,101)(H,84,99)(H,85,109)(H,86,110)(H4,72,73,77)(H4,74,75,78)(H,87,95,107)(H,88,98,108)/t45-,46-,47+,48+,49+,50+/m0/s1"	Cc1cn(C[C@@H](NC(=O)[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)CN(C)C(=O)[C@@H](Cn2ccc(=O)[nH]c2=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCNC(=O)c2c3ccccc3cc3ccccc23)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)c(=O)[nH]c1=O	Cc1cn(CC(NC(=O)C(Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)C(Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)CN(C)C(=O)C(Cn2ccc(=O)[nH]c2=O)NC(=O)C(CCCNC(=N)N)NC(=O)CCNC(=O)c2c3ccccc3cc3ccccc23)C(=O)NC(CCCNC(=N)N)C(N)=O)c(=O)[nH]c1=O	GNJHORVXIKTFQC-AHOUVKKWSA-N	.							
PDC_01812	Unnatural heptapeptide 4 - 9-Acridinecarboxylic acid conjugate 2	23	33	"InChI=1S/C69H77N23O17/c1-35-29-90(67(107)87-55(35)97)30-46(57(99)80-44(54(70)96)21-11-24-75-64(71)72)81-59(101)48(33-92-62(104)41-18-8-10-20-43(41)85-69(92)109)82-58(100)47(32-91-61(103)40-17-7-9-19-42(40)84-68(91)108)79-52(95)34-88(2)63(105)49(31-89-26-23-50(93)86-66(89)106)83-56(98)45(22-12-25-76-65(73)74)78-51(94)28-77-60(102)53-38-15-5-3-13-36(38)27-37-14-4-6-16-39(37)53/h3-10,13-20,23,26-27,29,44-49H,11-12,21-22,24-25,28,30-34H2,1-2H3,(H2,70,96)(H,77,102)(H,78,94)(H,79,95)(H,80,99)(H,81,101)(H,82,100)(H,83,98)(H,84,108)(H,85,109)(H4,71,72,75)(H4,73,74,76)(H,86,93,106)(H,87,97,107)/t44-,45-,46+,47+,48+,49+/m0/s1"	Cc1cn(C[C@@H](NC(=O)[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)CN(C)C(=O)[C@@H](Cn2ccc(=O)[nH]c2=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)c2c3ccccc3cc3ccccc23)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)c(=O)[nH]c1=O	Cc1cn(CC(NC(=O)C(Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)C(Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)CN(C)C(=O)C(Cn2ccc(=O)[nH]c2=O)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)c2c3ccccc3cc3ccccc23)C(=O)NC(CCCNC(=N)N)C(N)=O)c(=O)[nH]c1=O	GQSOEXISEZKIQC-RNVBNYKFSA-N	.							
PDC_01813	Unnatural heptapeptide 1 - 9-Acridinecarboxylic acid conjugate 4	24	37	"InChI=1S/C72H84N24O17/c1-38-32-94(70(111)91-58(38)101)33-49(60(103)84-47(57(73)100)24-14-29-79-67(74)75)85-62(105)51(36-96-65(108)42-19-8-12-23-46(42)89-72(96)113)86-61(104)50(35-95-64(107)41-18-7-11-22-45(41)88-71(95)112)83-55(99)37-92(2)66(109)52(34-93-31-27-54(98)90-69(93)110)87-59(102)48(25-15-30-80-68(76)77)82-53(97)26-4-3-13-28-78-63(106)56-39-16-5-9-20-43(39)81-44-21-10-6-17-40(44)56/h5-12,16-23,27,31-32,47-52H,3-4,13-15,24-26,28-30,33-37H2,1-2H3,(H2,73,100)(H,78,106)(H,82,97)(H,83,99)(H,84,103)(H,85,105)(H,86,104)(H,87,102)(H,88,112)(H,89,113)(H4,74,75,79)(H4,76,77,80)(H,90,98,110)(H,91,101,111)/t47-,48-,49+,50+,51+,52+/m0/s1"	Cc1cn(C[C@@H](NC(=O)[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)CN(C)C(=O)[C@@H](Cn2ccc(=O)[nH]c2=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)c2c3ccccc3nc3ccccc23)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)c(=O)[nH]c1=O	Cc1cn(CC(NC(=O)C(Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)C(Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)CN(C)C(=O)C(Cn2ccc(=O)[nH]c2=O)NC(=O)C(CCCNC(=N)N)NC(=O)CCCCCNC(=O)c2c3ccccc3nc3ccccc23)C(=O)NC(CCCNC(=N)N)C(N)=O)c(=O)[nH]c1=O	WPOKXMZUVDNZEU-XCXRTDMZSA-N	.							
PDC_01814	Unnatural heptapeptide 1 - 9-Acridinecarboxylic acid conjugate 5	24	35	"InChI=1S/C70H80N24O17/c1-36-30-92(68(109)89-56(36)99)31-47(58(101)82-45(55(71)98)22-11-27-77-65(72)73)83-60(103)49(34-94-63(106)40-17-6-10-21-44(40)87-70(94)111)84-59(102)48(33-93-62(105)39-16-5-9-20-43(39)86-69(93)110)81-53(97)35-90(2)64(107)50(32-91-29-25-52(96)88-67(91)108)85-57(100)46(23-12-28-78-66(74)75)80-51(95)24-13-26-76-61(104)54-37-14-3-7-18-41(37)79-42-19-8-4-15-38(42)54/h3-10,14-21,25,29-30,45-50H,11-13,22-24,26-28,31-35H2,1-2H3,(H2,71,98)(H,76,104)(H,80,95)(H,81,97)(H,82,101)(H,83,103)(H,84,102)(H,85,100)(H,86,110)(H,87,111)(H4,72,73,77)(H4,74,75,78)(H,88,96,108)(H,89,99,109)/t45-,46-,47+,48+,49+,50+/m0/s1"	Cc1cn(C[C@@H](NC(=O)[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)CN(C)C(=O)[C@@H](Cn2ccc(=O)[nH]c2=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCNC(=O)c2c3ccccc3nc3ccccc23)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)c(=O)[nH]c1=O	Cc1cn(CC(NC(=O)C(Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)C(Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)CN(C)C(=O)C(Cn2ccc(=O)[nH]c2=O)NC(=O)C(CCCNC(=N)N)NC(=O)CCCNC(=O)c2c3ccccc3nc3ccccc23)C(=O)NC(CCCNC(=N)N)C(N)=O)c(=O)[nH]c1=O	JYLDYSOEZKPZRP-AHOUVKKWSA-N	.							
PDC_01815	Unnatural heptapeptide 3 - 9-Acridinecarboxylic acid conjugate 2	25	35	"InChI=1S/C70H79N25O18/c1-35-29-93(68(111)90-56(35)101)30-46(58(103)83-44(55(71)100)21-11-24-76-65(72)73)84-60(105)48(33-95-63(108)39-16-6-10-20-43(39)88-70(95)113)85-59(104)47(32-94-62(107)38-15-5-9-19-42(38)87-69(94)112)82-53(99)34-91(2)64(109)49(31-92-26-23-50(96)89-67(92)110)86-57(102)45(22-12-25-77-66(74)75)81-52(98)28-78-51(97)27-79-61(106)54-36-13-3-7-17-40(36)80-41-18-8-4-14-37(41)54/h3-10,13-20,23,26,29,44-49H,11-12,21-22,24-25,27-28,30-34H2,1-2H3,(H2,71,100)(H,78,97)(H,79,106)(H,81,98)(H,82,99)(H,83,103)(H,84,105)(H,85,104)(H,86,102)(H,87,112)(H,88,113)(H4,72,73,76)(H4,74,75,77)(H,89,96,110)(H,90,101,111)/t44-,45-,46+,47+,48+,49+/m0/s1"	Cc1cn(C[C@@H](NC(=O)[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)CN(C)C(=O)[C@@H](Cn2ccc(=O)[nH]c2=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)c2c3ccccc3nc3ccccc23)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)c(=O)[nH]c1=O	Cc1cn(CC(NC(=O)C(Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)C(Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)CN(C)C(=O)C(Cn2ccc(=O)[nH]c2=O)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)c2c3ccccc3nc3ccccc23)C(=O)NC(CCCNC(=N)N)C(N)=O)c(=O)[nH]c1=O	RCJJCYMZLFYCJT-RNVBNYKFSA-N	.							
PDC_01816	Unnatural heptapeptide 1 - 9-Acridinecarboxylic acid conjugate 6	24	34	"InChI=1S/C69H78N24O17/c1-35-29-91(67(108)88-55(35)98)30-46(57(100)81-44(54(70)97)21-11-25-76-64(71)72)82-59(102)48(33-93-62(105)39-16-6-10-20-43(39)86-69(93)110)83-58(101)47(32-92-61(104)38-15-5-9-19-42(38)85-68(92)109)80-52(96)34-89(2)63(106)49(31-90-28-24-51(95)87-66(90)107)84-56(99)45(22-12-26-77-65(73)74)79-50(94)23-27-75-60(103)53-36-13-3-7-17-40(36)78-41-18-8-4-14-37(41)53/h3-10,13-20,24,28-29,44-49H,11-12,21-23,25-27,30-34H2,1-2H3,(H2,70,97)(H,75,103)(H,79,94)(H,80,96)(H,81,100)(H,82,102)(H,83,101)(H,84,99)(H,85,109)(H,86,110)(H4,71,72,76)(H4,73,74,77)(H,87,95,107)(H,88,98,108)/t44-,45-,46+,47+,48+,49+/m0/s1"	Cc1cn(C[C@@H](NC(=O)[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)CN(C)C(=O)[C@@H](Cn2ccc(=O)[nH]c2=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCNC(=O)c2c3ccccc3nc3ccccc23)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)c(=O)[nH]c1=O	Cc1cn(CC(NC(=O)C(Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)C(Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)CN(C)C(=O)C(Cn2ccc(=O)[nH]c2=O)NC(=O)C(CCCNC(=N)N)NC(=O)CCNC(=O)c2c3ccccc3nc3ccccc23)C(=O)NC(CCCNC(=N)N)C(N)=O)c(=O)[nH]c1=O	GIUKLPJIXOBYKV-RNVBNYKFSA-N	.							
PDC_01817	Unnatural heptapeptide 4 - 9-Acridinecarboxylic acid conjugate 3	24	33	"InChI=1S/C68H76N24O17/c1-34-28-90(66(107)87-54(34)97)29-45(56(99)80-43(53(69)96)21-11-24-74-63(70)71)81-58(101)47(32-92-61(104)38-16-6-10-20-42(38)85-68(92)109)82-57(100)46(31-91-60(103)37-15-5-9-19-41(37)84-67(91)108)79-51(95)33-88(2)62(105)48(30-89-26-23-49(93)86-65(89)106)83-55(98)44(22-12-25-75-64(72)73)78-50(94)27-76-59(102)52-35-13-3-7-17-39(35)77-40-18-8-4-14-36(40)52/h3-10,13-20,23,26,28,43-48H,11-12,21-22,24-25,27,29-33H2,1-2H3,(H2,69,96)(H,76,102)(H,78,94)(H,79,95)(H,80,99)(H,81,101)(H,82,100)(H,83,98)(H,84,108)(H,85,109)(H4,70,71,74)(H4,72,73,75)(H,86,93,106)(H,87,97,107)/t43-,44-,45+,46+,47+,48+/m0/s1"	Cc1cn(C[C@@H](NC(=O)[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)CN(C)C(=O)[C@@H](Cn2ccc(=O)[nH]c2=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)c2c3ccccc3nc3ccccc23)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)c(=O)[nH]c1=O	Cc1cn(CC(NC(=O)C(Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)C(Cn2c(=O)[nH]c3ccccc3c2=O)NC(=O)CN(C)C(=O)C(Cn2ccc(=O)[nH]c2=O)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)c2c3ccccc3nc3ccccc23)C(=O)NC(CCCNC(=N)N)C(N)=O)c(=O)[nH]c1=O	CLUQANYIACMFFB-XZDVQWHVSA-N	.							
PDC_01818	GSXYSCFWKTCT - Combretastatin A4 conjugate	27	40	"InChI=1S/C84H112N16O23S2/c1-8-9-20-56(91-79(113)61(42-101)89-69(106)41-100(33-32-86)84(118)123-66-36-50(27-30-65(66)119-4)23-24-51-37-67(120-5)72(122-7)68(38-51)121-6)74(108)92-59(35-49-25-28-53(105)29-26-49)77(111)95-62(43-102)80(114)96-63-44-124-125-45-64(82(116)98-70(46(2)103)73(87)107)97-83(117)71(47(3)104)99-75(109)57(22-15-16-31-85)90-78(112)60(39-52-40-88-55-21-14-13-19-54(52)55)94-76(110)58(93-81(63)115)34-48-17-11-10-12-18-48/h10-14,17-19,21,23-30,36-38,40,46-47,56-64,70-71,88,101-105H,8-9,15-16,20,22,31-35,39,41-45,85-86H2,1-7H3,(H2,87,107)(H,89,106)(H,90,112)(H,91,113)(H,92,108)(H,93,115)(H,94,110)(H,95,111)(H,96,114)(H,97,117)(H,98,116)(H,99,109)/b24-23-/t46-,47-,56+,57+,58+,59-,60-,61-,62-,63+,64+,70+,71+/m1/s1"	CCCC[C@H](NC(=O)[C@@H](CO)NC(=O)CN(CCN)C(=O)Oc1cc(/C=C\c2cc(OC)c(OC)c(OC)c2)ccc1OC)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CO)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O	CCCCC(NC(=O)C(CO)NC(=O)CN(CCN)C(=O)Oc1cc(C=Cc2cc(OC)c(OC)c(OC)c2)ccc1OC)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC1CSSCC(C(=O)NC(C(N)=O)C(C)O)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccccc2)NC1=O	PZFRCLKVSKZLSC-HXJLKATMSA-N	.							
PDC_01819	GSXYSCFWKTCT - Camptothecin conjugate 1	28	35	"InChI=1S/C86H107N17O23S2/c1-5-7-21-58(93-78(117)63(40-105)90-68(110)39-102(30-31-104)85(124)126-86(6-2)55-36-67-71-51(34-49-19-11-13-22-56(49)91-71)38-103(67)83(122)54(55)42-125-84(86)123)73(112)94-61(33-48-25-27-52(109)28-26-48)76(115)97-64(41-106)79(118)98-65-43-127-128-44-66(81(120)100-69(45(3)107)72(88)111)99-82(121)70(46(4)108)101-74(113)59(24-15-16-29-87)92-77(116)62(35-50-37-89-57-23-14-12-20-53(50)57)96-75(114)60(95-80(65)119)32-47-17-9-8-10-18-47/h8-14,17-20,22-23,25-28,34,36-37,45-46,58-66,69-70,89,104-109H,5-7,15-16,21,24,29-33,35,38-44,87H2,1-4H3,(H2,88,111)(H,90,110)(H,92,116)(H,93,117)(H,94,112)(H,95,119)(H,96,114)(H,97,115)(H,98,118)(H,99,121)(H,100,120)(H,101,113)/t45-,46-,58+,59+,60+,61-,62-,63-,64-,65+,66+,69+,70+,86+/m1/s1"	CCCC[C@H](NC(=O)[C@@H](CO)NC(=O)CN(CCO)C(=O)O[C@]1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CO)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O	CCCCC(NC(=O)C(CO)NC(=O)CN(CCO)C(=O)OC1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC1CSSCC(C(=O)NC(C(N)=O)C(C)O)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccccc2)NC1=O	RFWYBLWWZWBTCS-BLQLBJCJSA-N	.							
PDC_01820	GSXYSCFWKTCT - Camptothecin conjugate 2	28	36	"InChI=1S/C87H110N18O22S2/c1-5-7-22-59(95-79(118)64(41-106)92-69(111)40-104(32-17-31-89)86(125)127-87(6-2)56-37-68-72-52(35-50-20-11-13-23-57(50)93-72)39-105(68)84(123)55(56)43-126-85(87)124)74(113)96-62(34-49-26-28-53(110)29-27-49)77(116)99-65(42-107)80(119)100-66-44-128-129-45-67(82(121)102-70(46(3)108)73(90)112)101-83(122)71(47(4)109)103-75(114)60(25-15-16-30-88)94-78(117)63(36-51-38-91-58-24-14-12-21-54(51)58)98-76(115)61(97-81(66)120)33-48-18-9-8-10-19-48/h8-14,18-21,23-24,26-29,35,37-38,46-47,59-67,70-71,91,106-110H,5-7,15-17,22,25,30-34,36,39-45,88-89H2,1-4H3,(H2,90,112)(H,92,111)(H,94,117)(H,95,118)(H,96,113)(H,97,120)(H,98,115)(H,99,116)(H,100,119)(H,101,122)(H,102,121)(H,103,114)/t46-,47-,59+,60+,61+,62-,63-,64-,65-,66+,67+,70+,71+,87+/m1/s1"	CCCC[C@H](NC(=O)[C@@H](CO)NC(=O)CN(CCCN)C(=O)O[C@]1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CO)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O	CCCCC(NC(=O)C(CO)NC(=O)CN(CCCN)C(=O)OC1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC1CSSCC(C(=O)NC(C(N)=O)C(C)O)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccccc2)NC1=O	ZVFDWRNTECXAKM-MXQUHCPOSA-N	.							
PDC_01821	GSXYSCFWKTCT - Camptothecin conjugate 3	28	36	"InChI=1S/C88H112N18O22S2/c1-7-9-23-60(95-80(119)65(42-107)92-70(112)41-105(33-32-104(5)6)87(126)128-88(8-2)57-38-69-73-53(36-51-21-13-15-24-58(51)93-73)40-106(69)85(124)56(57)44-127-86(88)125)75(114)96-63(35-50-27-29-54(111)30-28-50)78(117)99-66(43-108)81(120)100-67-45-129-130-46-68(83(122)102-71(47(3)109)74(90)113)101-84(123)72(48(4)110)103-76(115)61(26-17-18-31-89)94-79(118)64(37-52-39-91-59-25-16-14-22-55(52)59)98-77(116)62(97-82(67)121)34-49-19-11-10-12-20-49/h10-16,19-22,24-25,27-30,36,38-39,47-48,60-68,71-72,91,107-111H,7-9,17-18,23,26,31-35,37,40-46,89H2,1-6H3,(H2,90,113)(H,92,112)(H,94,118)(H,95,119)(H,96,114)(H,97,121)(H,98,116)(H,99,117)(H,100,120)(H,101,123)(H,102,122)(H,103,115)/t47-,48-,60+,61+,62+,63-,64-,65-,66-,67+,68+,71+,72+,88+/m1/s1"	CCCC[C@H](NC(=O)[C@@H](CO)NC(=O)CN(CCN(C)C)C(=O)O[C@]1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CO)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O	CCCCC(NC(=O)C(CO)NC(=O)CN(CCN(C)C)C(=O)OC1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC1CSSCC(C(=O)NC(C(N)=O)C(C)O)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccccc2)NC1=O	UAAYTGKGAVQDJQ-GLIQZBBTSA-N	.							
PDC_01822	GSXYSCFWKTCT - Camptothecin conjugate 4	28	36	"InChI=1S/C87H110N18O22S2/c1-6-8-22-59(95-79(118)64(41-106)92-69(111)40-104(32-31-90-5)86(125)127-87(7-2)56-37-68-72-52(35-50-20-12-14-23-57(50)93-72)39-105(68)84(123)55(56)43-126-85(87)124)74(113)96-62(34-49-26-28-53(110)29-27-49)77(116)99-65(42-107)80(119)100-66-44-128-129-45-67(82(121)102-70(46(3)108)73(89)112)101-83(122)71(47(4)109)103-75(114)60(25-16-17-30-88)94-78(117)63(36-51-38-91-58-24-15-13-21-54(51)58)98-76(115)61(97-81(66)120)33-48-18-10-9-11-19-48/h9-15,18-21,23-24,26-29,35,37-38,46-47,59-67,70-71,90-91,106-110H,6-8,16-17,22,25,30-34,36,39-45,88H2,1-5H3,(H2,89,112)(H,92,111)(H,94,117)(H,95,118)(H,96,113)(H,97,120)(H,98,115)(H,99,116)(H,100,119)(H,101,122)(H,102,121)(H,103,114)/t46-,47-,59+,60+,61+,62-,63-,64-,65-,66+,67+,70+,71+,87+/m1/s1"	CCCC[C@H](NC(=O)[C@@H](CO)NC(=O)CN(CCNC)C(=O)O[C@]1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CO)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O	CCCCC(NC(=O)C(CO)NC(=O)CN(CCNC)C(=O)OC1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC1CSSCC(C(=O)NC(C(N)=O)C(C)O)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccccc2)NC1=O	GKQQLJSQJNANOC-MXQUHCPOSA-N	.							
PDC_01823	GSXYSCFWKTCT - Camptothecin conjugate 5	28	35	"InChI=1S/C86H108N18O22S2/c1-5-7-21-58(94-78(117)63(40-105)91-68(110)39-103(31-30-88)85(124)126-86(6-2)55-36-67-71-51(34-49-19-11-13-22-56(49)92-71)38-104(67)83(122)54(55)42-125-84(86)123)73(112)95-61(33-48-25-27-52(109)28-26-48)76(115)98-64(41-106)79(118)99-65-43-127-128-44-66(81(120)101-69(45(3)107)72(89)111)100-82(121)70(46(4)108)102-74(113)59(24-15-16-29-87)93-77(116)62(35-50-37-90-57-23-14-12-20-53(50)57)97-75(114)60(96-80(65)119)32-47-17-9-8-10-18-47/h8-14,17-20,22-23,25-28,34,36-37,45-46,58-66,69-70,90,105-109H,5-7,15-16,21,24,29-33,35,38-44,87-88H2,1-4H3,(H2,89,111)(H,91,110)(H,93,116)(H,94,117)(H,95,112)(H,96,119)(H,97,114)(H,98,115)(H,99,118)(H,100,121)(H,101,120)(H,102,113)/t45-,46-,58+,59+,60+,61-,62-,63-,64-,65+,66+,69+,70+,86+/m1/s1"	CCCC[C@H](NC(=O)[C@@H](CO)NC(=O)CN(CCN)C(=O)O[C@]1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CO)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O	CCCCC(NC(=O)C(CO)NC(=O)CN(CCN)C(=O)OC1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC1CSSCC(C(=O)NC(C(N)=O)C(C)O)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccccc2)NC1=O	DCYZUFFWNIGSBH-BLQLBJCJSA-N	.							
PDC_01824	Tetrapeptide 50 - Protoporphyrin IX conjugate	18	40	"InChI=1S/C86H106N12O14S4/c1-43(2)77(83(107)95-71(81(105)93-61(85(109)110)29-31-113-11)35-51-21-23-53-17-13-15-19-55(53)33-51)97-79(103)59(87)41-115-49(9)75-47(7)65-37-63-45(5)57(25-27-73(99)100)67(89-63)40-68-58(26-28-74(101)102)46(6)64(90-68)38-69-76(48(8)66(92-69)39-70(75)91-65)50(10)116-42-60(88)80(104)98-78(44(3)4)84(108)96-72(82(106)94-62(86(111)112)30-32-114-12)36-52-22-24-54-18-14-16-20-56(54)34-52/h13-24,33-34,37-40,43-44,49-50,59-62,71-72,77-78,91-92H,25-32,35-36,41-42,87-88H2,1-12H3,(H,93,105)(H,94,106)(H,95,107)(H,96,108)(H,97,103)(H,98,104)(H,99,100)(H,101,102)(H,109,110)(H,111,112)/t49-,50+,59-,60-,61-,62-,71-,72-,77-,78-/m0/s1"	CSCC[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](NC(=O)[C@@H](N)CS[C@@H](C)c1c(C)c2cc3nc(cc4nc(cc5[nH]c(cc1[nH]2)c(C)c5[C@@H](C)SC[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCSC)C(=O)O)C(C)C)C(C)=C4CCC(=O)O)C(CCC(=O)O)=C3C)C(C)C)C(=O)O	CSCCC(NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)C(NC(=O)C(N)CSC(C)c1c(C)c2cc3[nH]c(cc4nc(cc5nc(cc1[nH]2)C(C)=C5CCC(=O)O)C(CCC(=O)O)=C4C)c(C)c3C(C)SCC(N)C(=O)NC(C(=O)NC(Cc1ccc2ccccc2c1)C(=O)NC(CCSC)C(=O)O)C(C)C)C(C)C)C(=O)O	QEYUGIFLFQUKDO-CXROXLHOSA-N	.							
PDC_01825	SV40 nuclear transport signal peptide analog - Protoporphyrin IX conjugate	46	108	"InChI=1S/C154H242N44O34S2/c1-83(2)133(151(231)175-73-121(201)171-79-129(211)212)195-147(227)105(37-17-25-61-161)189-145(225)107(39-27-63-169-153(165)166)191-141(221)101(33-13-21-57-157)185-139(219)99(31-11-19-55-155)187-143(223)103(35-15-23-59-159)193-149(229)119-41-29-65-197(119)125(205)77-177-137(217)117(67-91-43-47-93(199)48-44-91)183-123(203)75-173-135(215)97(163)81-233-89(9)131-87(7)111-69-109-85(5)95(51-53-127(207)208)113(179-109)72-114-96(52-54-128(209)210)86(6)110(180-114)70-115-132(88(8)112(182-115)71-116(131)181-111)90(10)234-82-98(164)136(216)174-76-124(204)184-118(68-92-45-49-94(200)50-46-92)138(218)178-78-126(206)198-66-30-42-120(198)150(230)194-104(36-16-24-60-160)144(224)188-100(32-12-20-56-156)140(220)186-102(34-14-22-58-158)142(222)192-108(40-28-64-170-154(167)168)146(226)190-106(38-18-26-62-162)148(228)196-134(84(3)4)152(232)176-74-122(202)172-80-130(213)214/h43-50,69-72,83-84,89-90,97-108,117-120,133-134,181-182,199-200H,11-42,51-68,73-82,155-164H2,1-10H3,(H,171,201)(H,172,202)(H,173,215)(H,174,216)(H,175,231)(H,176,232)(H,177,217)(H,178,218)(H,183,203)(H,184,204)(H,185,219)(H,186,220)(H,187,223)(H,188,224)(H,189,225)(H,190,226)(H,191,221)(H,192,222)(H,193,229)(H,194,230)(H,195,227)(H,196,228)(H,207,208)(H,209,210)(H,211,212)(H,213,214)(H4,165,166,169)(H4,167,168,170)/t89?,90?,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,117-,118-,119-,120-,133-,134-/m0/s1"	CC1=C(CCC(=O)O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C(C)SC[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)O)C(C)C)c5C)c(C(C)SC[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)O)C(C)C)c4C)C(C)=C3CCC(=O)O	CC1=C(CCC(=O)O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(C)SCC(N)C(=O)NCC(=O)NC(Cc1ccc(O)cc1)C(=O)NCC(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(C(=O)NCC(=O)NCC(=O)O)C(C)C)c(C)c4C(C)SCC(N)C(=O)NCC(=O)NC(Cc1ccc(O)cc1)C(=O)NCC(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(C(=O)NCC(=O)NCC(=O)O)C(C)C)C(C)=C3CCC(=O)O	JABQOIMFWVREGO-WDBPRSHUSA-N	.							
PDC_01831	"AGYAG - Ruthenium(2+), bis(2,2-bipyridine-&kappa;N1,&kappa;N1)(dipyrido[3,2-a:2,3-c]phenazine-&kappa;N4,&kappa;N5)-, (OC-6-21) conjugate"	15	17	.	Cc1ccn2->[Ru+2]34(<-n5ccc(CCCC(=O)NC(C)C(=O)NCC(=O)NC(Cc6ccc(O)cc6)C(=O)NC(C)C(=O)NCC(N)=O)cc5-c2c1)(<-n1cccc2ccc5cccn->3c5c21)<-n1cccc2c3nc5ccccc5nc3c3cccn->4c3c21	Cc1ccn2->[Ru+2]34(<-n5ccc(CCCC(=O)NC(C)C(=O)NCC(=O)NC(Cc6ccc(O)cc6)C(=O)NC(C)C(=O)NCC(N)=O)cc5-c2c1)(<-n1cccc2ccc5cccn->3c5c21)<-n1cccc2c3nc5ccccc5nc3c3cccn->4c3c21	.	.							
PDC_01832	"AGKAG - Ruthenium(2+), bis(2,2-bipyridine-&kappa;N1,&kappa;N1)(dipyrido[3,2-a:2,3-c]phenazine-&kappa;N4,&kappa;N5)-, (OC-6-21) conjugate"	15	19	.	Cc1ccn2->[Ru+2]34(<-n5ccc(CCCC(=O)NC(C)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(C)C(=O)NCC(N)=O)cc5-c2c1)(<-n1cccc2ccc5cccn->3c5c21)<-n1cccc2c3nc5ccccc5nc3c3cccn->4c3c21	Cc1ccn2->[Ru+2]34(<-n5ccc(CCCC(=O)NC(C)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(C)C(=O)NCC(N)=O)cc5-c2c1)(<-n1cccc2ccc5cccn->3c5c21)<-n1cccc2c3nc5ccccc5nc3c3cccn->4c3c21	.	.							
PDC_01833	"AGAAG - Ruthenium(2+), bis(2,2-bipyridine-&kappa;N1,&kappa;N1)(dipyrido[3,2-a:2,3-c]phenazine-&kappa;N4,&kappa;N5)-, (OC-6-21) conjugate"	14	15	.	Cc1ccn2->[Ru+2]34(<-n5ccc(CCCC(=O)NC(C)C(=O)NCC(=O)NC(C)C(=O)NC(C)C(=O)NCC(N)=O)cc5-c2c1)(<-n1cccc2ccc5cccn->3c5c21)<-n1cccc2c3nc5ccccc5nc3c3cccn->4c3c21	Cc1ccn2->[Ru+2]34(<-n5ccc(CCCC(=O)NC(C)C(=O)NCC(=O)NC(C)C(=O)NC(C)C(=O)NCC(N)=O)cc5-c2c1)(<-n1cccc2ccc5cccn->3c5c21)<-n1cccc2c3nc5ccccc5nc3c3cccn->4c3c21	.	.							
PDC_01834	"GAKYKG - Ruthenium(2+), bis(2,2-bipyridine-&kappa;N1,&kappa;N1)(dipyrido[3,2-a:2,3-c]phenazine-&kappa;N4,&kappa;N5)-, (OC-6-21) conjugate"	18	27	.	Cc1ccn2->[Ru+2]34(<-n5ccc(CCCC(=O)NCC(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(Cc6ccc(O)cc6)C(=O)NC(CCCCN)C(=O)NCC(N)=O)cc5-c2c1)(<-n1cccc2ccc5cccn->3c5c21)<-n1cccc2c3nc5ccccc5nc3c3cccn->4c3c21	Cc1ccn2->[Ru+2]34(<-n5ccc(CCCC(=O)NCC(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(Cc6ccc(O)cc6)C(=O)NC(CCCCN)C(=O)NCC(N)=O)cc5-c2c1)(<-n1cccc2ccc5cccn->3c5c21)<-n1cccc2c3nc5ccccc5nc3c3cccn->4c3c21	.	.							
PDC_01835	"ARYRG - Ruthenium(2+), bis(2,2-bipyridine-&kappa;N1,&kappa;N1)(dipyrido[3,2-a:2,3-c]phenazine-&kappa;N4,&kappa;N5)-, (OC-6-21) conjugate"	17	25	.	Cc1ccn2->[Ru+2]34(<-n5ccc(CCCC(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc6ccc(O)cc6)C(=O)NC(CCCNC(=N)N)C(=O)NCC(N)=O)cc5-c2c1)(<-n1cccc2ccc5cccn->3c5c21)<-n1cccc2c3nc5ccccc5nc3c3cccn->4c3c21	Cc1ccn2->[Ru+2]34(<-n5ccc(CCCC(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc6ccc(O)cc6)C(=O)NC(CCCNC(=N)N)C(=O)NCC(N)=O)cc5-c2c1)(<-n1cccc2ccc5cccn->3c5c21)<-n1cccc2c3nc5ccccc5nc3c3cccn->4c3c21	.	.							
PDC_01836	"AKYKG - Ruthenium(2+), bis(2,2-bipyridine-&kappa;N1,&kappa;N1)(dipyrido[3,2-a:2,3-c]phenazine-&kappa;N4,&kappa;N5)-, (OC-6-21) conjugate 1"	17	25	.	Cc1ccn2->[Ru+2]34(<-n5ccc(CCCC(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(Cc6ccc(O)cc6)C(=O)NC(CCCCN)C(=O)NCC(N)=O)cc5-c2c1)(<-n1cccc2ccc5cccn->3c5c21)<-n1cccc2c3nc5ccccc5nc3c3cccn->4c3c21	Cc1ccn2->[Ru+2]34(<-n5ccc(CCCC(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(Cc6ccc(O)cc6)C(=O)NC(CCCCN)C(=O)NCC(N)=O)cc5-c2c1)(<-n1cccc2ccc5cccn->3c5c21)<-n1cccc2c3nc5ccccc5nc3c3cccn->4c3c21	.	.							
PDC_01837	"AKYKG - Ruthenium(2+), bis(2,2-bipyridine-&kappa;N1,&kappa;N1)(dipyrido[3,2-a:2,3-c]phenazine-&kappa;N4,&kappa;N5)-, (OC-6-21) conjugate 2"	16	25	.	Cc1ccn2->[Ru+2]34(<-n5ccc(CCCC(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(Cc6c[nH]c7ccccc67)C(=O)NC(CCCCN)C(=O)NCC(N)=O)cc5-c2c1)(<-n1cccc2ccc5cccn->3c5c21)<-n1cccc2c3nc5ccccc5nc3c3cccn->4c3c21	Cc1ccn2->[Ru+2]34(<-n5ccc(CCCC(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(Cc6c[nH]c7ccccc67)C(=O)NC(CCCCN)C(=O)NCC(N)=O)cc5-c2c1)(<-n1cccc2ccc5cccn->3c5c21)<-n1cccc2c3nc5ccccc5nc3c3cccn->4c3c21	.	.							
PDC_01838	"AKSKG - Ruthenium(2+), bis(2,2-bipyridine-&kappa;N1,&kappa;N1)(dipyrido[3,2-a:2,3-c]phenazine-&kappa;N4,&kappa;N5)-, (OC-6-21) conjugate"	17	24	.	Cc1ccn2->[Ru+2]34(<-n5ccc(CCCC(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NCC(N)=O)cc5-c2c1)(<-n1cccc2ccc5cccn->3c5c21)<-n1cccc2c3nc5ccccc5nc3c3cccn->4c3c21	Cc1ccn2->[Ru+2]34(<-n5ccc(CCCC(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NCC(N)=O)cc5-c2c1)(<-n1cccc2ccc5cccn->3c5c21)<-n1cccc2c3nc5ccccc5nc3c3cccn->4c3c21	.	.							
PDC_01839	"AKKKG - Ruthenium(2+), bis(2,2-bipyridine-&kappa;N1,&kappa;N1)(dipyrido[3,2-a:2,3-c]phenazine-&kappa;N4,&kappa;N5)-, (OC-6-21) conjugate"	17	27	.	Cc1ccn2->[Ru+2]34(<-n5ccc(CCCC(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NCC(N)=O)cc5-c2c1)(<-n1cccc2ccc5cccn->3c5c21)<-n1cccc2c3nc5ccccc5nc3c3cccn->4c3c21	Cc1ccn2->[Ru+2]34(<-n5ccc(CCCC(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NCC(N)=O)cc5-c2c1)(<-n1cccc2ccc5cccn->3c5c21)<-n1cccc2c3nc5ccccc5nc3c3cccn->4c3c21	.	.							
PDC_01840	"AKHKG - Ruthenium(2+), bis(2,2-bipyridine-&kappa;N1,&kappa;N1)(dipyrido[3,2-a:2,3-c]phenazine-&kappa;N4,&kappa;N5)-, (OC-6-21) conjugate"	17	25	.	Cc1ccn2->[Ru+2]34(<-n5ccc(CCCC(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(Cc6cnc[nH]6)C(=O)NC(CCCCN)C(=O)NCC(N)=O)cc5-c2c1)(<-n1cccc2ccc5cccn->3c5c21)<-n1cccc2c3nc5ccccc5nc3c3cccn->4c3c21	Cc1ccn2->[Ru+2]34(<-n5ccc(CCCC(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(Cc6cnc[nH]6)C(=O)NC(CCCCN)C(=O)NCC(N)=O)cc5-c2c1)(<-n1cccc2ccc5cccn->3c5c21)<-n1cccc2c3nc5ccccc5nc3c3cccn->4c3c21	.	.							
PDC_01841	"AKEKG - Ruthenium(2+), bis(2,2-bipyridine-&kappa;N1,&kappa;N1)(dipyrido[3,2-a:2,3-c]phenazine-&kappa;N4,&kappa;N5)-, (OC-6-21) conjugate"	18	26	.	Cc1ccn2->[Ru+2]34(<-n5ccc(CCCC(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)[O-])C(=O)NC(CCCCN)C(=O)NCC(N)=O)cc5-c2c1)(<-n1cccc2ccc5cccn->3c5c21)<-n1cccc2c3nc5ccccc5nc3c3cccn->4c3c21.[H+]	Cc1ccn2->[Ru+2]34(<-n5ccc(CCCC(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)[O-])C(=O)NC(CCCCN)C(=O)NCC(N)=O)cc5-c2c1)(<-n1cccc2ccc5cccn->3c5c21)<-n1cccc2c3nc5ccccc5nc3c3cccn->4c3c21.[H+]	.	.							
PDC_01842	"AKAKG - Ruthenium(2+), bis(2,2-bipyridine-&kappa;N1,&kappa;N1)(dipyrido[3,2-a:2,3-c]phenazine-&kappa;N4,&kappa;N5)-, (OC-6-21) conjugate"	16	23	.	Cc1ccn2->[Ru+2]34(<-n5ccc(CCCC(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NCC(N)=O)cc5-c2c1)(<-n1cccc2ccc5cccn->3c5c21)<-n1cccc2c3nc5ccccc5nc3c3cccn->4c3c21	Cc1ccn2->[Ru+2]34(<-n5ccc(CCCC(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NCC(N)=O)cc5-c2c1)(<-n1cccc2ccc5cccn->3c5c21)<-n1cccc2c3nc5ccccc5nc3c3cccn->4c3c21	.	.							
PDC_01843	XASXQSL - Doxorubicin conjugate 3	24	30	"InChI=1S/C64H87N9O25/c1-27(2)18-36(59(90)68-35-20-46(97-29(4)52(35)83)98-41-22-64(95,42(78)26-76)21-33-48(41)56(87)50-49(54(33)85)53(84)32-12-9-13-40(96-5)47(32)55(50)86)69-60(91)37(24-74)71-58(89)34(14-15-43(65)79)67-63(94)51(30-10-7-6-8-11-30)72-61(92)38(25-75)70-57(88)28(3)66-62(93)39-19-31(77)23-73(39)44(80)16-17-45(81)82/h9,12-13,27-31,34-39,41,46,51-52,74-77,83,85,87,95H,6-8,10-11,14-26H2,1-5H3,(H2,65,79)(H,66,93)(H,67,94)(H,68,90)(H,69,91)(H,70,88)(H,71,89)(H,72,92)(H,81,82)/t28-,29-,31+,34-,35-,36-,37-,38-,39-,41-,46-,51-,52+,64-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)CCC(=O)O)C2CCCCC2)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(CO)NC(=O)C(C)NC(=O)C2CC(O)CN2C(=O)CCC(=O)O)C2CCCCC2)C(O)C(C)O1	ISBUCKKDYDMNBY-XNSAXKFKSA-N	.							
PDC_01845	XSSGQSSP - Deacetylvinblastine conjugate	26	29	"InChI=1S/C81H113N13O23/c1-8-77(112)34-44-35-80(75(110)115-6,63-48(24-29-91(36-44)42-77)47-19-13-14-20-51(47)83-63)50-32-49-58(33-60(50)114-5)90(4)73-79(49)26-30-92-27-16-25-78(9-2,72(79)92)74(81(73,113)76(111)116-7)117-71(109)57-21-15-28-93(57)70(108)56(41-98)88-66(104)53(38-95)85-64(102)52(22-23-61(82)101)84-69(107)62(45-17-11-10-12-18-45)89-67(105)55(40-97)86-65(103)54(39-96)87-68(106)59-31-46(100)37-94(59)43(3)99/h13-14,16,19-20,25,32-33,44-46,52-57,59,62,72-74,83,95-98,100,112-113H,8-12,15,17-18,21-24,26-31,34-42H2,1-7H3,(H2,82,101)(H,84,107)(H,85,102)(H,86,103)(H,87,106)(H,88,104)(H,89,105)/t44-,46+,52+,53+,54-,55-,56-,57-,59-,62-,72-,73+,74+,77-,78+,79+,80-,81-/m0/s1"	CC[C@]1(O)C[C@@H]2C[N@@](CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(=O)[C@@H]5CCCN5C(=O)[C@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]5C[C@@H](O)CN5C(C)=O)C5CCCCC5)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(=O)C5CCCN5C(=O)C(CO)NC(=O)C(CO)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(CO)NC(=O)C(CO)NC(=O)C5CC(O)CN5C(C)=O)C5CCCCC5)C5(CC)C=CCN6CCC43C65)C2)C1	PQLMASJDXSGTGI-QPCSIYGASA-N	.							
PDC_01846	XSSGQSP - Deacetylvinblastine conjugate	24	26	"InChI=1S/C78H108N12O21/c1-8-74(106)34-43-35-77(72(104)109-6,61-47(24-29-87(36-43)41-74)46-19-13-14-20-50(46)80-61)49-32-48-56(33-58(49)108-5)86(4)70-76(48)26-30-88-27-16-25-75(9-2,69(76)88)71(78(70,107)73(105)110-7)111-68(103)55-21-15-28-89(55)67(102)54(40-93)84-62(97)51(22-23-59(79)96)81-66(101)60(44-17-11-10-12-18-44)85-64(99)53(39-92)82-63(98)52(38-91)83-65(100)57-31-45(95)37-90(57)42(3)94/h13-14,16,19-20,25,32-33,43-45,51-55,57,60,69-71,80,91-93,95,106-107H,8-12,15,17-18,21-24,26-31,34-41H2,1-7H3,(H2,79,96)(H,81,101)(H,82,98)(H,83,100)(H,84,97)(H,85,99)/t43-,45+,51-,52-,53-,54-,55-,57-,60-,69-,70+,71+,74-,75+,76+,77-,78-/m0/s1"	CC[C@]1(O)C[C@@H]2C[N@@](CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(=O)[C@@H]5CCCN5C(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]5C[C@@H](O)CN5C(C)=O)C5CCCCC5)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(=O)C5CCCN5C(=O)C(CO)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(CO)NC(=O)C(CO)NC(=O)C5CC(O)CN5C(C)=O)C5CCCCC5)C5(CC)C=CCN6CCC43C65)C2)C1	MLQLBAOSNKUBCK-MNNWDIPNSA-N	.							
PDC_01847	XSSGQSG - Deacetylvinblastine conjugate	24	27	"InChI=1S/C75H104N12O21/c1-8-71(103)31-41-32-74(69(101)106-6,59-45(22-26-85(34-41)39-71)44-18-13-14-19-48(44)78-59)47-29-46-53(30-55(47)105-5)84(4)67-73(46)24-27-86-25-15-23-72(9-2,66(73)86)68(75(67,104)70(102)107-7)108-57(94)33-77-60(95)50(36-88)80-61(96)49(20-21-56(76)93)79-65(100)58(42-16-11-10-12-17-42)83-63(98)52(38-90)81-62(97)51(37-89)82-64(99)54-28-43(92)35-87(54)40(3)91/h13-15,18-19,23,29-30,41-43,49-52,54,58,66-68,78,88-90,92,103-104H,8-12,16-17,20-22,24-28,31-39H2,1-7H3,(H2,76,93)(H,77,95)(H,79,100)(H,80,96)(H,81,97)(H,82,99)(H,83,98)/t41-,43+,49-,50-,51-,52-,54-,58-,66-,67+,68+,71-,72+,73+,74-,75-/m0/s1"	CC[C@]1(O)C[C@@H]2C[N@@](CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]5C[C@@H](O)CN5C(C)=O)C5CCCCC5)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(=O)CNC(=O)C(CO)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(CO)NC(=O)C(CO)NC(=O)C5CC(O)CN5C(C)=O)C5CCCCC5)C5(CC)C=CCN6CCC43C65)C2)C1	KIOHDPOOLIEIJW-POHCZDRISA-N	.							
PDC_01848	XSSGQSL - Deacetylvinblastine conjugate	24	29	"InChI=1S/C79H112N12O21/c1-10-75(107)34-44-35-78(73(105)110-8,62-48(24-28-89(36-44)41-75)47-20-15-16-21-51(47)81-62)50-32-49-57(33-59(50)109-7)88(6)71-77(49)26-29-90-27-17-25-76(11-2,70(77)90)72(79(71,108)74(106)111-9)112-69(104)53(30-42(3)4)83-64(99)54(38-92)84-63(98)52(22-23-60(80)97)82-68(103)61(45-18-13-12-14-19-45)87-66(101)56(40-94)85-65(100)55(39-93)86-67(102)58-31-46(96)37-91(58)43(5)95/h15-17,20-21,25,32-33,42,44-46,52-56,58,61,70-72,81,92-94,96,107-108H,10-14,18-19,22-24,26-31,34-41H2,1-9H3,(H2,80,97)(H,82,103)(H,83,99)(H,84,98)(H,85,100)(H,86,102)(H,87,101)/t44-,46+,52-,53-,54-,55-,56-,58-,61-,70-,71+,72+,75-,76+,77+,78-,79-/m0/s1"	CC[C@]1(O)C[C@@H]2C[N@@](CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]5C[C@@H](O)CN5C(C)=O)C5CCCCC5)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1	CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(CO)NC(=O)C(CO)NC(=O)C5CC(O)CN5C(C)=O)C5CCCCC5)C5(CC)C=CCN6CCC43C65)C2)C1	OEFUGEJBXBVNNX-DLFHGTHFSA-N	.							
PDC_01849	"Tetrapeptide 51 - 2-[(11aS)-1,3,4,11a-tetrahydro-6-oxo-2H-benzo[b]quinolizin-11(6H)-ylidene]-, (2Z)-acetic acid conjugate"	7	15	"InChI=1S/C50H49N5O7/c1-62-50(61)41(31-34-20-8-3-9-21-34)52-48(59)45(36-24-12-5-13-25-36)54-46(57)40(30-33-18-6-2-7-19-33)51-47(58)44(35-22-10-4-11-23-35)53-43(56)32-39-37-26-14-15-27-38(37)49(60)55-29-17-16-28-42(39)55/h2-15,18-27,32,40-42,44-45H,16-17,28-31H2,1H3,(H,51,58)(H,52,59)(H,53,56)(H,54,57)/b39-32-/t40-,41-,42-,44+,45+/m0/s1"	COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)/C=C1/c2ccccc2C(=O)N2CCCC[C@@H]12)c1ccccc1)c1ccccc1	COC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C=C1c2ccccc2C(=O)N2CCCCC12)c1ccccc1)c1ccccc1	APOPSICZYLJGMW-IGQDXIIGSA-N	.							
PDC_01850	"Tripeptide 106 - 2-[(11aS)-1,3,4,11a-tetrahydro-6-oxo-2H-benzo[b]quinolizin-11(6H)-ylidene]-, (2Z)-acetic acid conjugate"	6	13	"InChI=1S/C31H44N4O6/c1-5-12-23(28(37)33-24(13-6-2)29(38)34-25(14-7-3)31(40)41-4)32-27(36)19-22-20-15-8-9-16-21(20)30(39)35-18-11-10-17-26(22)35/h8-9,15-16,19,23-26H,5-7,10-14,17-18H2,1-4H3,(H,32,36)(H,33,37)(H,34,38)/b22-19-/t23-,24+,25-,26-/m0/s1"	CCC[C@H](NC(=O)/C=C1/c2ccccc2C(=O)N2CCCC[C@@H]12)C(=O)N[C@H](CCC)C(=O)N[C@@H](CCC)C(=O)OC	CCCC(NC(=O)C=C1c2ccccc2C(=O)N2CCCCC12)C(=O)NC(CCC)C(=O)NC(CCC)C(=O)OC	KVKIPWIIZALJPU-TZEPAYTFSA-N	.							
PDC_01851	"Dipeptide 42 - 2-[(11aS)-1,3,4,11a-tetrahydro-6-oxo-2H-benzo[b]quinolizin-11(6H)-ylidene]-, (2Z)-acetic acid conjugate"	5	9	"InChI=1S/C31H37N3O5/c1-20(2)17-25(29(36)33-26(31(38)39-3)18-21-11-5-4-6-12-21)32-28(35)19-24-22-13-7-8-14-23(22)30(37)34-16-10-9-15-27(24)34/h4-8,11-14,19-20,25-27H,9-10,15-18H2,1-3H3,(H,32,35)(H,33,36)/b24-19-/t25-,26-,27-/m0/s1"	COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)/C=C1/c2ccccc2C(=O)N2CCCC[C@@H]12	COC(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)C=C1c2ccccc2C(=O)N2CCCCC12	MBOCNWPNDARCRD-BUPUMALNSA-N	.							
PDC_01852	"Tripeptide 107 - 2-[(11aS)-1,3,4,11a-tetrahydro-6-oxo-2H-benzo[b]quinolizin-11(6H)-ylidene]-, (2Z)-acetic acid conjugate"	6	13	"InChI=1S/C34H50N4O6/c1-20(2)16-26(31(40)36-27(17-21(3)4)32(41)37-28(18-22(5)6)34(43)44-7)35-30(39)19-25-23-12-8-9-13-24(23)33(42)38-15-11-10-14-29(25)38/h8-9,12-13,19-22,26-29H,10-11,14-18H2,1-7H3,(H,35,39)(H,36,40)(H,37,41)/b25-19-/t26-,27+,28-,29-/m0/s1"	COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)/C=C1/c2ccccc2C(=O)N2CCCC[C@@H]12	COC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C=C1c2ccccc2C(=O)N2CCCCC12	ACVWNYYOFKNFEP-JSEUEZDSSA-N	.							
PDC_01853	"Dipeptide 43 - 2-[(11aS)-1,3,4,11a-tetrahydro-6-oxo-2H-benzo[b]quinolizin-11(6H)-ylidene]-, (2Z)-acetic acid conjugate"	5	7	"InChI=1S/C26H35N3O5/c1-15(2)22(24(31)28-23(16(3)4)26(33)34-5)27-21(30)14-19-17-10-6-7-11-18(17)25(32)29-13-9-8-12-20(19)29/h6-7,10-11,14-16,20,22-23H,8-9,12-13H2,1-5H3,(H,27,30)(H,28,31)/b19-14-/t20-,22+,23-/m0/s1"	COC(=O)[C@@H](NC(=O)[C@H](NC(=O)/C=C1/c2ccccc2C(=O)N2CCCC[C@@H]12)C(C)C)C(C)C	COC(=O)C(NC(=O)C(NC(=O)C=C1c2ccccc2C(=O)N2CCCCC12)C(C)C)C(C)C	JBMHNUGQUXAQLO-NAGRXNIQSA-N	.							
PDC_01854	"Dipeptide 44 - 2-[(11aS)-1,3,4,11a-tetrahydro-6-oxo-2H-benzo[b]quinolizin-11(6H)-ylidene]-, (2Z)-acetic acid conjugate"	5	9	"InChI=1S/C28H39N3O5/c1-17(2)14-22(26(33)30-23(15-18(3)4)28(35)36-5)29-25(32)16-21-19-10-6-7-11-20(19)27(34)31-13-9-8-12-24(21)31/h6-7,10-11,16-18,22-24H,8-9,12-15H2,1-5H3,(H,29,32)(H,30,33)/b21-16-/t22-,23+,24+/m1/s1"	COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)/C=C1/c2ccccc2C(=O)N2CCCC[C@@H]12	COC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C=C1c2ccccc2C(=O)N2CCCCC12	PYZIWNMPIKKLLO-ZGSCAIFFSA-N	.							
PDC_01855	"Tetrapeptide 52 - 2-[(3S)-2,3-dihydro-3-methyl-1-oxo-4(1H)-isoquinolinylidene]-, methyl ester, (2Z)-acetic acid conjugate"	7	18	"InChI=1S/C39H61N5O7/c1-21(2)16-29(40-33(45)20-28-26-14-12-13-15-27(26)35(46)44-34(28)25(9)10)36(47)41-30(17-22(3)4)37(48)42-31(18-23(5)6)38(49)43-32(19-24(7)8)39(50)51-11/h12-15,20-25,29-32,34H,16-19H2,1-11H3,(H,40,45)(H,41,47)(H,42,48)(H,43,49)(H,44,46)/b28-20-/t29-,30+,31-,32+,34+/m1/s1"	COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)/C=C1/c2ccccc2C(=O)N[C@H]1C(C)C	COC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C=C1c2ccccc2C(=O)NC1C(C)C	RBSYDRPHNBQISM-NMFGRZDVSA-N	.							
PDC_01856	"Tripeptide 107 - 2-[(3S)-2,3-dihydro-3-methyl-1-oxo-4(1H)-isoquinolinylidene]-, methyl ester, (2Z)-acetic acid conjugate"	6	14	"InChI=1S/C33H50N4O6/c1-18(2)14-25(31(40)35-26(15-19(3)4)32(41)36-27(16-20(5)6)33(42)43-9)34-28(38)17-24-22-12-10-11-13-23(22)30(39)37-29(24)21(7)8/h10-13,17-21,25-27,29H,14-16H2,1-9H3,(H,34,38)(H,35,40)(H,36,41)(H,37,39)/b24-17-/t25-,26+,27-,29-/m0/s1"	COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)/C=C1/c2ccccc2C(=O)N[C@H]1C(C)C	COC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C=C1c2ccccc2C(=O)NC1C(C)C	CICCRFXXVJZWET-MBEALPHJSA-N	.							
PDC_01857	"Dipeptide 45 - 2-[(3S)-2,3-dihydro-3-methyl-1-oxo-4(1H)-isoquinolinylidene]-, methyl ester, (2Z)-acetic acid conjugate"	5	8	"InChI=1S/C24H33N3O5/c1-13(2)11-19(23(30)25-15(5)24(31)32-6)26-20(28)12-18-16-9-7-8-10-17(16)22(29)27-21(18)14(3)4/h7-10,12-15,19,21H,11H2,1-6H3,(H,25,30)(H,26,28)(H,27,29)/b18-12-/t15-,19-,21-/m0/s1"	COC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)/C=C1/c2ccccc2C(=O)N[C@H]1C(C)C	COC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C=C1c2ccccc2C(=O)NC1C(C)C	RQNDSGUSUPOXTF-WRERPWHSSA-N	.							
PDC_01858	"XKTRTRS - 3,6-Diamino-9(10H)-acridinone conjugate"	31	66	"InChI=1S/C83H139N31O25/c1-41(117)63(76(134)105-53(19-13-31-96-82(90)91)72(130)111-65(43(3)119)74(132)103-51(17-11-29-94-80(86)87)68(126)107-57(39-115)78(136)137)109-70(128)49(15-7-9-27-84)101-61(123)37-113(5)33-25-59(121)98-45-21-23-47-55(35-45)100-56-36-46(22-24-48(56)67(47)125)99-60(122)26-34-114(6)38-62(124)102-50(16-8-10-28-85)71(129)110-64(42(2)118)77(135)106-54(20-14-32-97-83(92)93)73(131)112-66(44(4)120)75(133)104-52(18-12-30-95-81(88)89)69(127)108-58(40-116)79(138)139/h21-24,35-36,41-44,49-54,57-58,63-66,115-120H,7-20,25-34,37-40,84-85H2,1-6H3,(H,98,121)(H,99,122)(H,100,125)(H,101,123)(H,102,124)(H,103,132)(H,104,133)(H,105,134)(H,106,135)(H,107,126)(H,108,127)(H,109,128)(H,110,129)(H,111,130)(H,112,131)(H,136,137)(H,138,139)(H4,86,87,94)(H4,88,89,95)(H4,90,91,96)(H4,92,93,97)/t41-,42-,43-,44-,49+,50+,51+,52+,53+,54+,57+,58+,63+,64+,65+,66+/m1/s1"	C[C@@H](O)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)CN(C)CCC(=O)Nc1ccc2c(=O)c3ccc(NC(=O)CCN(C)CC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O)[C@@H](C)O)cc3[nH]c2c1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)O	CC(O)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(CCCCN)NC(=O)CN(C)CCC(=O)Nc1ccc2c(=O)c3ccc(NC(=O)CCN(C)CC(=O)NC(CCCCN)C(=O)NC(C(=O)NC(CCCNC(=N)N)C(=O)NC(C(=O)NC(CCCNC(=N)N)C(=O)NC(CO)C(=O)O)C(C)O)C(C)O)cc3[nH]c2c1)C(C)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CO)C(=O)O	ZUIVDQOKXRMTJW-ICTHAXSASA-N	.							
PDC_01859	"XFRHR - 3,6-Diamino-9(10H)-acridinone conjugate"	21	52	"InChI=1S/C79H109N29O15/c1-107(41-65(111)99-59(33-45-13-5-3-6-14-45)70(116)101-53(17-9-27-90-76(80)81)68(114)105-61(37-49-39-88-43-94-49)72(118)103-55(74(120)121)19-11-29-92-78(84)85)31-25-63(109)96-47-21-23-51-57(35-47)98-58-36-48(22-24-52(58)67(51)113)97-64(110)26-32-108(2)42-66(112)100-60(34-46-15-7-4-8-16-46)71(117)102-54(18-10-28-91-77(82)83)69(115)106-62(38-50-40-89-44-95-50)73(119)104-56(75(122)123)20-12-30-93-79(86)87/h3-8,13-16,21-24,35-36,39-40,43-44,53-56,59-62H,9-12,17-20,25-34,37-38,41-42H2,1-2H3,(H,88,94)(H,89,95)(H,96,109)(H,97,110)(H,98,113)(H,99,111)(H,100,112)(H,101,116)(H,102,117)(H,103,118)(H,104,119)(H,105,114)(H,106,115)(H,120,121)(H,122,123)(H4,80,81,90)(H4,82,83,91)(H4,84,85,92)(H4,86,87,93)/t53-,54-,55-,56-,59-,60-,61-,62-/m0/s1"	CN(CCC(=O)Nc1ccc2c(=O)c3ccc(NC(=O)CCN(C)CC(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc4cnc[nH]4)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)cc3[nH]c2c1)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O	CN(CCC(=O)Nc1ccc2c(=O)c3ccc(NC(=O)CCN(C)CC(=O)NC(Cc4ccccc4)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc4cnc[nH]4)C(=O)NC(CCCNC(=N)N)C(=O)O)cc3[nH]c2c1)CC(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CCCNC(=N)N)C(=O)O	RIZFGGGNQMWSDY-JGDZNRKSSA-N	.							
PDC_01860	"XKRSR - 3,6-Diamino-9(10H)-acridinone conjugate"	23	54	"InChI=1S/C67H111N27O17/c1-93(33-53(99)85-41(11-3-5-23-68)56(102)87-43(13-7-25-78-64(70)71)58(104)91-49(35-95)60(106)89-45(62(108)109)15-9-27-80-66(74)75)29-21-51(97)82-37-17-19-39-47(31-37)84-48-32-38(18-20-40(48)55(39)101)83-52(98)22-30-94(2)34-54(100)86-42(12-4-6-24-69)57(103)88-44(14-8-26-79-65(72)73)59(105)92-50(36-96)61(107)90-46(63(110)111)16-10-28-81-67(76)77/h17-20,31-32,41-46,49-50,95-96H,3-16,21-30,33-36,68-69H2,1-2H3,(H,82,97)(H,83,98)(H,84,101)(H,85,99)(H,86,100)(H,87,102)(H,88,103)(H,89,106)(H,90,107)(H,91,104)(H,92,105)(H,108,109)(H,110,111)(H4,70,71,78)(H4,72,73,79)(H4,74,75,80)(H4,76,77,81)/t41-,42-,43-,44-,45-,46-,49-,50-/m0/s1"	CN(CCC(=O)Nc1ccc2c(=O)c3ccc(NC(=O)CCN(C)CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)cc3[nH]c2c1)CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O	CN(CCC(=O)Nc1ccc2c(=O)c3ccc(NC(=O)CCN(C)CC(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(=O)O)cc3[nH]c2c1)CC(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(=O)O	AMEFEHSRSKETPX-XXFIUJOYSA-N	.							
PDC_01861	"XRKKV - 3,6-Diamino-9(10H)-acridinone conjugate"	21	54	"InChI=1S/C71H119N23O15/c1-41(2)59(68(106)107)91-66(104)51(19-9-13-31-74)89-64(102)49(17-7-11-29-72)87-62(100)47(21-15-33-80-70(76)77)85-57(97)39-93(5)35-27-55(95)82-43-23-25-45-53(37-43)84-54-38-44(24-26-46(54)61(45)99)83-56(96)28-36-94(6)40-58(98)86-48(22-16-34-81-71(78)79)63(101)88-50(18-8-12-30-73)65(103)90-52(20-10-14-32-75)67(105)92-60(42(3)4)69(108)109/h23-26,37-38,41-42,47-52,59-60H,7-22,27-36,39-40,72-75H2,1-6H3,(H,82,95)(H,83,96)(H,84,99)(H,85,97)(H,86,98)(H,87,100)(H,88,101)(H,89,102)(H,90,103)(H,91,104)(H,92,105)(H,106,107)(H,108,109)(H4,76,77,80)(H4,78,79,81)/t47-,48-,49-,50-,51-,52-,59-,60-/m0/s1"	CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN(C)CCC(=O)Nc1ccc2c(=O)c3ccc(NC(=O)CCN(C)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)O)C(C)C)cc3[nH]c2c1)C(=O)O	CC(C)C(NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)CN(C)CCC(=O)Nc1ccc2c(=O)c3ccc(NC(=O)CCN(C)CC(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(C(=O)O)C(C)C)cc3[nH]c2c1)C(=O)O	ZNAYFSWNKXBCJN-XRTGPZEZSA-N	.							
PDC_01862	XASXQSL - Doxorubicin conjugate 4	23	29	"InChI=1S/C63H85N9O25/c1-26(2)18-35(57(87)67-34-20-44(96-28(4)50(34)80)97-40-22-63(94,62(92)93)21-32-46(40)54(84)48-47(52(32)82)51(81)31-12-9-13-39(95-5)45(31)53(48)83)68-58(88)36(24-73)70-56(86)33(14-15-41(64)76)66-61(91)49(29-10-7-6-8-11-29)71-59(89)37(25-74)69-55(85)27(3)65-60(90)38-19-30(75)23-72(38)42(77)16-17-43(78)79/h9,12-13,26-30,33-38,40,44,49-50,73-75,80,82,84,94H,6-8,10-11,14-25H2,1-5H3,(H2,64,76)(H,65,90)(H,66,91)(H,67,87)(H,68,88)(H,69,85)(H,70,86)(H,71,89)(H,78,79)(H,92,93)/t27-,28-,30+,33-,34-,35-,36-,37-,38-,40-,44-,49+,50+,63-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)O)C[C@@H]3O[C@H]1C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)CCC(=O)O)C2CCCCC2)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)O)CC3OC1CC(NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(CO)NC(=O)C(C)NC(=O)C2CC(O)CN2C(=O)CCC(=O)O)C2CCCCC2)C(O)C(C)O1	QFNBPTRLBIWYED-AEFDGOEDSA-N	.							
PDC_01863	XASXQSL - Doxorubicin conjugate 5	26	35	"InChI=1S/C69H98N10O25/c1-32(2)23-41(64(95)74-40-25-51(103-34(4)57(40)88)104-46-27-69(100,47(84)31-82)26-38-53(46)61(92)55-54(59(38)90)58(89)37-15-12-16-45(101-5)52(37)60(55)91)75-65(96)42(29-80)77-63(94)39(17-18-48(71)85)73-68(99)56(35-13-8-6-9-14-35)78-66(97)43(30-81)76-62(93)33(3)72-67(98)44-24-36(83)28-79(44)49(86)19-20-50(87)102-22-11-7-10-21-70/h12,15-16,32-36,39-44,46,51,56-57,80-83,88,90,92,100H,6-11,13-14,17-31,70H2,1-5H3,(H2,71,85)(H,72,98)(H,73,99)(H,74,95)(H,75,96)(H,76,93)(H,77,94)(H,78,97)/t33-,34-,36+,39-,40-,41-,42-,43-,44-,46-,51-,56+,57+,69-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)CCC(=O)OCCCCCN)C2CCCCC2)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(CO)NC(=O)C(C)NC(=O)C2CC(O)CN2C(=O)CCC(=O)OCCCCCN)C2CCCCC2)C(O)C(C)O1	BCVGJERXPGRLHW-ZJMGLQQBSA-N	.							
PDC_01864	XASXQSL - Doxorubicin conjugate 6	25	32	"InChI=1S/C78H97N9O25/c1-36(2)26-50(73(103)82-49-28-60(111-38(4)66(49)96)112-55-30-78(108,56(92)34-90)29-46-62(55)70(100)64-63(68(46)98)67(97)45-20-13-21-54(109-5)61(45)69(64)99)83-74(104)51(32-88)85-72(102)48(22-23-57(79)93)81-77(107)65(39-14-7-6-8-15-39)86-75(105)52(33-89)84-71(101)37(3)80-76(106)53-27-40(91)31-87(53)58(94)24-25-59(95)110-35-47-43-18-11-9-16-41(43)42-17-10-12-19-44(42)47/h9-13,16-21,36-40,47-53,55,60,65-66,88-91,96,98,100,108H,6-8,14-15,22-35H2,1-5H3,(H2,79,93)(H,80,106)(H,81,107)(H,82,103)(H,83,104)(H,84,101)(H,85,102)(H,86,105)/t37-,38-,40+,48-,49-,50-,51-,52-,53-,55-,60-,65+,66+,78-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)CCC(=O)OCC2c3ccccc3-c3ccccc32)C2CCCCC2)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(CO)NC(=O)C(C)NC(=O)C2CC(O)CN2C(=O)CCC(=O)OCC2c3ccccc3-c3ccccc32)C2CCCCC2)C(O)C(C)O1	PSZRLCAZKQABEY-UAPNQDIPSA-N	.							
PDC_01865	XASXQSL - Doxorubicin conjugate 7	24	30	"InChI=1S/C64H87N9O25/c1-27(2)18-36(59(90)68-35-20-46(97-29(4)52(35)83)98-41-22-64(95,42(78)26-76)21-33-48(41)56(87)50-49(54(33)85)53(84)32-12-9-13-40(96-5)47(32)55(50)86)69-60(91)37(24-74)71-58(89)34(14-15-43(65)79)67-63(94)51(30-10-7-6-8-11-30)72-61(92)38(25-75)70-57(88)28(3)66-62(93)39-19-31(77)23-73(39)44(80)16-17-45(81)82/h9,12-13,27-31,34-39,41,46,51-52,74-77,83,85,87,95H,6-8,10-11,14-26H2,1-5H3,(H2,65,79)(H,66,93)(H,67,94)(H,68,90)(H,69,91)(H,70,88)(H,71,89)(H,72,92)(H,81,82)/t28-,29-,31+,34-,35-,36-,37-,38-,39-,41-,46-,51-,52+,64-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)CCC(=O)O)C2CCCCC2)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(CO)NC(=O)C(C)NC(=O)C2CC(O)CN2C(=O)CCC(=O)O)C2CCCCC2)C(O)C(C)O1	ISBUCKKDYDMNBY-XNSAXKFKSA-N	.							
PDC_01866	XASXQSL - Doxorubicin conjugate 8	24	31	"InChI=1S/C65H89N9O25/c1-28(2)19-37(60(91)69-36-21-47(98-30(4)53(36)84)99-42-23-65(96,43(79)27-77)22-34-49(42)57(88)51-50(55(34)86)54(85)33-13-9-14-41(97-5)48(33)56(51)87)70-61(92)38(25-75)72-59(90)35(17-18-44(66)80)68-64(95)52(31-11-7-6-8-12-31)73-62(93)39(26-76)71-58(89)29(3)67-63(94)40-20-32(78)24-74(40)45(81)15-10-16-46(82)83/h9,13-14,28-32,35-40,42,47,52-53,75-78,84,86,88,96H,6-8,10-12,15-27H2,1-5H3,(H2,66,80)(H,67,94)(H,68,95)(H,69,91)(H,70,92)(H,71,89)(H,72,90)(H,73,93)(H,82,83)/t29-,30-,32+,35-,36-,37-,38-,39-,40-,42-,47-,52-,53+,65-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)CCCC(=O)O)C2CCCCC2)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(CO)NC(=O)C(C)NC(=O)C2CC(O)CN2C(=O)CCCC(=O)O)C2CCCCC2)C(O)C(C)O1	CZXGBIFEWYVYJY-NPLULESDSA-N	.							
PDC_01867	"Bombesin receptor ligand peptide 1 - 4-Azido-2,3,5,6-tetrafluorobenzoic acid conjugate"	16	22	"InChI=1S/C53H66F4N14O12S2/c1-25(72)42-52(81)67-36(50(79)69-43(26(2)73)53(82)83)24-85-84-23-35(66-45(74)31(16-8-10-18-58)63-51(80)37-38(54)40(56)44(70-71-60)41(57)39(37)55)49(78)64-33(20-27-12-4-3-5-13-27)47(76)65-34(21-28-22-61-30-15-7-6-14-29(28)30)48(77)62-32(46(75)68-42)17-9-11-19-59/h3-7,12-15,22,25-26,31-36,42-43,61,72-73H,8-11,16-21,23-24,58-59H2,1-2H3,(H,62,77)(H,63,80)(H,64,78)(H,65,76)(H,66,74)(H,67,81)(H,68,75)(H,69,79)(H,82,83)/t25-,26-,31+,32+,33-,34+,35+,36+,42+,43+/m1/s1"	C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)c2c(F)c(F)c([N-][N+]#N)c(F)c2F)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)O	CC(O)C(NC(=O)C1CSSCC(NC(=O)C(CCCCN)NC(=O)c2c(F)c(F)c([N-][N+]#N)c(F)c2F)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)N1)C(=O)O	SBFBJITXNJNCKY-ABTFZLBRSA-N	.							
PDC_01868	"Bombesin receptor ligand peptide 2 - 4-Azido-2,3,5,6-tetrafluorobenzoic acid conjugate"	16	20	"InChI=1S/C56H63F4N13O13S2/c1-26(74)45-55(84)69-39(53(82)71-46(27(2)75)56(85)86)25-88-87-24-38(68-50(79)36(20-28-10-4-3-5-11-28)67-54(83)40-41(57)43(59)47(72-73-62)44(60)42(40)58)52(81)65-35(21-29-15-17-31(76)18-16-29)49(78)66-37(22-30-23-63-33-13-7-6-12-32(30)33)51(80)64-34(48(77)70-45)14-8-9-19-61/h3-7,10-13,15-18,23,26-27,34-39,45-46,63,74-76H,8-9,14,19-22,24-25,61H2,1-2H3,(H,64,80)(H,65,81)(H,66,78)(H,67,83)(H,68,79)(H,69,84)(H,70,77)(H,71,82)(H,85,86)/t26-,27-,34+,35+,36-,37+,38+,39+,45+,46+/m1/s1"	C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2c(F)c(F)c([N-][N+]#N)c(F)c2F)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)O	CC(O)C(NC(=O)C1CSSCC(NC(=O)C(Cc2ccccc2)NC(=O)c2c(F)c(F)c([N-][N+]#N)c(F)c2F)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)N1)C(=O)O	NZUGDDFWSXGXQY-RTUQBGSXSA-N	.							
PDC_01869	"Bombesin receptor ligand peptide 3 - 4-Azido-2,3,5,6-tetrafluorobenzoic acid conjugate"	16	36	"InChI=1S/C54H70F4N18O13S/c1-24(2)14-32(50(85)71-30(47(60)82)12-13-90-5)72-51(86)34(16-27-18-62-23-67-27)69-38(80)21-66-54(89)45(25(3)4)74-52(87)33(15-26-17-63-29-9-7-6-8-28(26)29)73-49(84)31(10-11-36(59)78)68-37(79)19-64-48(83)35(22-77)70-39(81)20-65-53(88)40-41(55)43(57)46(75-76-61)44(58)42(40)56/h6-9,17-18,23-25,30-35,45,63,77H,10-16,19-22H2,1-5H3,(H2,59,78)(H2,60,82)(H,62,67)(H,64,83)(H,65,88)(H,66,89)(H,68,79)(H,69,80)(H,70,81)(H,71,85)(H,72,86)(H,73,84)(H,74,87)/t30-,31-,32-,33-,34-,35-,45-/m0/s1"	CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)c1c(F)c(F)c([N-][N+]#N)c(F)c1F)C(C)C)C(N)=O	CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)c1c(F)c(F)c([N-][N+]#N)c(F)c1F)C(C)C)C(N)=O	SWXXIFFLOQARQP-OPKNJBSFSA-N	.							
PDC_01870	"Somatostatin receptor ligand peptide 1 - 4-Azido-2,3,5,6-tetrafluorobenzoic acid conjugate"	12	30	"InChI=1S/C48H63F4N15O8S/c1-23(2)16-31(44(71)61-29(42(54)69)13-15-76-5)63-45(72)33(18-26-20-56-22-59-26)60-34(68)21-58-48(75)40(24(3)4)65-46(73)32(17-25-19-57-28-11-7-6-10-27(25)28)64-43(70)30(12-8-9-14-53)62-47(74)35-36(49)38(51)41(66-67-55)39(52)37(35)50/h6-7,10-11,19-20,22-24,29-33,40,57H,8-9,12-18,21,53H2,1-5H3,(H2,54,69)(H,56,59)(H,58,75)(H,60,68)(H,61,71)(H,62,74)(H,63,72)(H,64,70)(H,65,73)/t29-,30-,31-,32-,33-,40-/m0/s1"	CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)c1c(F)c(F)c([N-][N+]#N)c(F)c1F)C(C)C)C(N)=O	CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCCN)NC(=O)c1c(F)c(F)c([N-][N+]#N)c(F)c1F)C(C)C)C(N)=O	BMTATKQMOHLQBC-UUDGRXQASA-N	.							
PDC_01871	"Somatostatin receptor ligand peptide 2 - 4-Azido-2,3,5,6-tetrafluorobenzoic acid conjugate"	12	29	"InChI=1S/C47H59F4N15O9S/c1-21(2)14-29(43(71)60-27(41(53)69)12-13-76-5)62-44(72)31(16-24-18-55-20-58-24)59-33(68)19-57-47(75)39(22(3)4)64-45(73)30(15-23-17-56-26-9-7-6-8-25(23)26)63-42(70)28(10-11-32(52)67)61-46(74)34-35(48)37(50)40(65-66-54)38(51)36(34)49/h6-9,17-18,20-22,27-31,39,56H,10-16,19H2,1-5H3,(H2,52,67)(H2,53,69)(H,55,58)(H,57,75)(H,59,68)(H,60,71)(H,61,74)(H,62,72)(H,63,70)(H,64,73)/t27-,28-,29-,30-,31-,39-/m0/s1"	CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1c(F)c(F)c([N-][N+]#N)c(F)c1F)C(C)C)C(N)=O	CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)c1c(F)c(F)c([N-][N+]#N)c(F)c1F)C(C)C)C(N)=O	QVONPKIMSHTZBE-DHMVKEHASA-N	.							
PDC_01872	"Tripeptide 90 - 2,6-Dimethoxy-1,4-benzoquinone conjugate"	17	26	"InChI=1S/C38H57N7O14S2/c1-19(2)28(36(53)44-21(37(54)59-7)12-10-14-42-38(39)40)45-35(52)20(43-27(49)18-61-34-23(47)16-25(56-4)30(51)32(34)58-6)11-8-9-13-41-26(48)17-60-33-22(46)15-24(55-3)29(50)31(33)57-5/h15-16,19-21,28,46-47,50-51H,8-14,17-18H2,1-7H3,(H,41,48)(H,43,49)(H,44,53)(H,45,52)(H4,39,40,42)/t20-,21-,28-/m0/s1"	COC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(=O)CSc1c(O)cc(OC)c(O)c1OC)NC(=O)CSc1c(O)cc(OC)c(O)c1OC)C(C)C	COC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(CCCCNC(=O)CSc1c(O)cc(OC)c(O)c1OC)NC(=O)CSc1c(O)cc(OC)c(O)c1OC)C(C)C	OUGUACPHOABTCT-CZBREUMFSA-N	.							
PDC_01873	"Tripeptide 91 - 2,6-Dimethoxy-1,4-benzoquinone conjugate"	17	27	"InChI=1S/C39H59N7O14S2/c1-8-20(2)29(37(54)45-22(38(55)60-7)13-11-15-43-39(40)41)46-36(53)21(44-28(50)19-62-35-24(48)17-26(57-4)31(52)33(35)59-6)12-9-10-14-42-27(49)18-61-34-23(47)16-25(56-3)30(51)32(34)58-5/h16-17,20-22,29,47-48,51-52H,8-15,18-19H2,1-7H3,(H,42,49)(H,44,50)(H,45,54)(H,46,53)(H4,40,41,43)/t20-,21-,22-,29-/m0/s1"	CC[C@H](C)[C@H](NC(=O)[C@H](CCCCNC(=O)CSc1c(O)cc(OC)c(O)c1OC)NC(=O)CSc1c(O)cc(OC)c(O)c1OC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)OC	CCC(C)C(NC(=O)C(CCCCNC(=O)CSc1c(O)cc(OC)c(O)c1OC)NC(=O)CSc1c(O)cc(OC)c(O)c1OC)C(=O)NC(CCCNC(=N)N)C(=O)OC	OECUZAPDUADRKB-BNXGODSSSA-N	.							
PDC_01874	"Tripeptide 108 - 2,6-Dimethoxy-1,4-benzoquinone conjugate"	17	27	"InChI=1S/C42H57N7O14S2/c1-59-29-19-27(50)37(35(61-3)33(29)54)64-21-31(52)45-16-10-9-14-24(47-32(53)22-65-38-28(51)20-30(60-2)34(55)36(38)62-4)39(56)49-26(18-23-12-7-6-8-13-23)40(57)48-25(41(58)63-5)15-11-17-46-42(43)44/h6-8,12-13,19-20,24-26,50-51,54-55H,9-11,14-18,21-22H2,1-5H3,(H,45,52)(H,47,53)(H,48,57)(H,49,56)(H4,43,44,46)/t24-,25-,26-/m0/s1"	COC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCNC(=O)CSc1c(O)cc(OC)c(O)c1OC)NC(=O)CSc1c(O)cc(OC)c(O)c1OC	COC(=O)C(CCCNC(=N)N)NC(=O)C(Cc1ccccc1)NC(=O)C(CCCCNC(=O)CSc1c(O)cc(OC)c(O)c1OC)NC(=O)CSc1c(O)cc(OC)c(O)c1OC	XRKXHGZLOZLBQS-GSDHBNRESA-N	.							
PDC_01875	"Tripeptide 93 - 2,6-Dimethoxy-1,4-benzoquinone conjugate"	19	32	"InChI=1S/C47H66N8O16S2/c1-66-33-22-31(56)41(39(68-3)37(33)60)72-25-35(58)50-19-11-9-16-28(53-36(59)26-73-42-32(57)23-34(67-2)38(61)40(42)69-4)43(62)54-29(44(63)55-30(45(64)70-5)18-13-21-51-46(48)49)17-10-12-20-52-47(65)71-24-27-14-7-6-8-15-27/h6-8,14-15,22-23,28-30,56-57,60-61H,9-13,16-21,24-26H2,1-5H3,(H,50,58)(H,52,65)(H,53,59)(H,54,62)(H,55,63)(H4,48,49,51)/t28-,29-,30-/m0/s1"	COC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)[C@H](CCCCNC(=O)CSc1c(O)cc(OC)c(O)c1OC)NC(=O)CSc1c(O)cc(OC)c(O)c1OC	COC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCNC(=O)OCc1ccccc1)NC(=O)C(CCCCNC(=O)CSc1c(O)cc(OC)c(O)c1OC)NC(=O)CSc1c(O)cc(OC)c(O)c1OC	ZBHSCURXQLHKGJ-DTXPUJKBSA-N	.							
PDC_01876	Tripeptide 93 - Chlorambucil conjugate 1	19	39	"InChI=1S/C53H77Cl2N9O15S2/c1-75-39-28-37(65)48(46(77-3)44(39)70)80-30-42(68)59-24-9-6-13-34(61-43(69)31-81-49-38(66)29-40(76-2)45(71)47(49)78-4)50(72)62-35(51(73)63-36(52(74)79-5)15-11-25-60-53(56)57)14-7-8-23-58-41(67)16-10-12-32-17-19-33(20-18-32)64(26-21-54)27-22-55/h17-20,28-29,34-36,65-66,70-71H,6-16,21-27,30-31H2,1-5H3,(H,58,67)(H,59,68)(H,61,69)(H,62,72)(H,63,73)(H4,56,57,60)/t34-,35-,36-/m0/s1"	COC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCNC(=O)CCCc1ccc(N(CCCl)CCCl)cc1)NC(=O)[C@H](CCCCNC(=O)CSc1c(O)cc(OC)c(O)c1OC)NC(=O)CSc1c(O)cc(OC)c(O)c1OC	COC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCNC(=O)CCCc1ccc(N(CCCl)CCCl)cc1)NC(=O)C(CCCCNC(=O)CSc1c(O)cc(OC)c(O)c1OC)NC(=O)CSc1c(O)cc(OC)c(O)c1OC	JJQOXKDQZIFWDA-KVBYWJEESA-N	.							
PDC_01877	Tripeptide 93 - Chlorambucil conjugate 2	11	29	"InChI=1S/C43H73Cl2N9O9/c1-42(2,3)62-40(59)50-26-11-9-16-33(53-41(60)63-43(4,5)6)37(57)51-32(36(56)52-34(38(58)61-7)17-13-27-49-39(46)47)15-8-10-25-48-35(55)18-12-14-30-19-21-31(22-20-30)54(28-23-44)29-24-45/h19-22,32-34H,8-18,23-29H2,1-7H3,(H,48,55)(H,50,59)(H,51,57)(H,52,56)(H,53,60)(H4,46,47,49)/t32-,33-,34-/m0/s1"	COC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCNC(=O)CCCc1ccc(N(CCCl)CCCl)cc1)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C	COC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCNC(=O)CCCc1ccc(N(CCCl)CCCl)cc1)NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C	DDXVDXSFLAJGHN-AFEGWXKPSA-N	.							
PDC_01878	Dipeptide 46 - Chlorambucil conjugate	12	27	"InChI=1S/C37H55Cl2N7O9S/c1-53-29-22-28(47)34(33(54-2)32(29)50)56-23-31(49)44-26(35(51)45-27(36(52)55-3)10-7-19-43-37(40)41)9-4-5-18-42-30(48)11-6-8-24-12-14-25(15-13-24)46(20-16-38)21-17-39/h12-15,22,26-27,47,50H,4-11,16-21,23H2,1-3H3,(H,42,48)(H,44,49)(H,45,51)(H4,40,41,43)/t26-,27-/m0/s1"	COC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCNC(=O)CCCc1ccc(N(CCCl)CCCl)cc1)NC(=O)CSc1c(O)cc(OC)c(O)c1OC	COC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCNC(=O)CCCc1ccc(N(CCCl)CCCl)cc1)NC(=O)CSc1c(O)cc(OC)c(O)c1OC	WEFLGORJXUYGDF-SVBPBHIXSA-N	.							
PDC_01879	"Tripeptide 109 - 2,6-Dimethoxy-1,4-benzoquinone conjugate"	14	26	"InChI=1S/C37H56N10O11S/c1-55-27-19-26(48)31(30(56-2)29(27)50)59-21-28(49)45-23(13-7-8-16-44-37(54)58-20-22-11-5-4-6-12-22)32(51)46-24(14-9-17-42-35(38)39)33(52)47-25(34(53)57-3)15-10-18-43-36(40)41/h4-6,11-12,19,23-25,48,50H,7-10,13-18,20-21H2,1-3H3,(H,44,54)(H,45,49)(H,46,51)(H,47,52)(H4,38,39,42)(H4,40,41,43)/t23-,24-,25-/m0/s1"	COC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)CSc1c(O)cc(OC)c(O)c1OC	COC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCNC(=O)OCc1ccccc1)NC(=O)CSc1c(O)cc(OC)c(O)c1OC	OMKCCAQWKAGRAY-SDHOMARFSA-N	.							
PDC_01880	PASXQSL - Doxorubicin conjugate	22	27	"InChI=1S/C62H85N9O22/c1-27(2)20-36(57(85)66-35-21-44(92-29(4)50(35)78)93-41-23-62(90,42(76)26-74)22-33-46(41)54(82)48-47(52(33)80)51(79)32-14-10-16-40(91-6)45(32)53(48)81)67-58(86)37(24-72)69-56(84)34(17-18-43(63)77)65-61(89)49(31-12-8-7-9-13-31)70-59(87)38(25-73)68-55(83)28(3)64-60(88)39-15-11-19-71(39)30(5)75/h10,14,16,27-29,31,34-39,41,44,49-50,72-74,78,80,82,90H,7-9,11-13,15,17-26H2,1-6H3,(H2,63,77)(H,64,88)(H,65,89)(H,66,85)(H,67,86)(H,68,83)(H,69,84)(H,70,87)/t28-,29-,34-,35-,36-,37-,38-,39-,41-,44-,49-,50+,62-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(C)=O)C2CCCCC2)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(CO)NC(=O)C(C)NC(=O)C2CCCN2C(C)=O)C2CCCCC2)C(O)C(C)O1	GNXSHPQWHBWIOC-IHZFEQKPSA-N	.							
PDC_01881	KASXQSL - Doxorubicin conjugate	23	32	"InChI=1S/C63H90N10O22/c1-28(2)21-38(59(88)69-37-22-45(94-30(4)51(37)80)95-42-24-63(92,43(78)27-76)23-34-47(42)55(84)49-48(53(34)82)52(81)33-15-12-17-41(93-6)46(33)54(49)83)70-60(89)39(25-74)72-58(87)36(18-19-44(65)79)68-62(91)50(32-13-8-7-9-14-32)73-61(90)40(26-75)71-56(85)29(3)66-57(86)35(67-31(5)77)16-10-11-20-64/h12,15,17,28-30,32,35-40,42,45,50-51,74-76,80,82,84,92H,7-11,13-14,16,18-27,64H2,1-6H3,(H2,65,79)(H,66,86)(H,67,77)(H,68,91)(H,69,88)(H,70,89)(H,71,85)(H,72,87)(H,73,90)/t29-,30-,35-,36-,37-,38-,39-,40-,42-,45-,50-,51+,63-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(C)=O)C2CCCCC2)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(CO)NC(=O)C(C)NC(=O)C(CCCCN)NC(C)=O)C2CCCCC2)C(O)C(C)O1	RMTCQMVTNWYOOV-VYKUUDRDSA-N	.							
PDC_01882	XASYQSL - Doxorubicin conjugate 1	24	32	"InChI=1S/C63H84N10O23/c1-27(2)19-38(59(89)69-37-21-46(95-29(4)51(37)81)96-43-23-63(93,44(79)26-76)22-34-48(43)55(85)50-49(53(34)83)52(82)33-9-7-11-42(94-6)47(33)54(50)84)70-62(92)41(25-75)73-58(88)36(16-17-45(65)80)68-60(90)39(20-31-12-14-32(78)15-13-31)71-61(91)40(24-74)72-56(86)28(3)66-57(87)35(10-8-18-64)67-30(5)77/h7,9,11-15,27-29,35-41,43,46,51,74-76,78,81,83,85,93H,8,10,16-26,64H2,1-6H3,(H2,65,80)(H,66,87)(H,67,77)(H,68,90)(H,69,89)(H,70,92)(H,71,91)(H,72,86)(H,73,88)/t28-,29-,35-,36+,37-,38-,39-,40-,41-,43-,46-,51+,63-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCN)NC(C)=O)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CCC(N)=O)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CO)NC(=O)C(C)NC(=O)C(CCCN)NC(C)=O)C(O)C(C)O1	SCVGJBSPOFYIPR-CQYGECSFSA-N	.							
PDC_01883	XASYQSL - Doxorubicin conjugate 2	24	32	"InChI=1S/C63H84N10O23/c1-27(2)19-38(59(89)69-37-21-46(95-29(4)51(37)81)96-43-23-63(93,44(79)26-76)22-34-48(43)55(85)50-49(53(34)83)52(82)33-9-7-11-42(94-6)47(33)54(50)84)70-62(92)41(25-75)73-58(88)36(16-17-45(65)80)68-60(90)39(20-31-12-14-32(78)15-13-31)71-61(91)40(24-74)72-56(86)28(3)66-57(87)35(10-8-18-64)67-30(5)77/h7,9,11-15,27-29,35-41,43,46,51,74-76,78,81,83,85,93H,8,10,16-26,64H2,1-6H3,(H2,65,80)(H,66,87)(H,67,77)(H,68,90)(H,69,89)(H,70,92)(H,71,91)(H,72,86)(H,73,88)/t28-,29-,35-,36-,37-,38-,39-,40-,41-,43-,46-,51+,63-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCN)NC(C)=O)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CCC(N)=O)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CO)NC(=O)C(C)NC(=O)C(CCCN)NC(C)=O)C(O)C(C)O1	SCVGJBSPOFYIPR-YUXSEMDISA-N	.							
PDC_01884	KASYQSL - Doxorubicin conjugate	24	33	"InChI=1S/C64H86N10O23/c1-28(2)20-39(60(90)70-38-22-47(96-30(4)52(38)82)97-44-24-64(94,45(80)27-77)23-35-49(44)56(86)51-50(54(35)84)53(83)34-10-9-12-43(95-6)48(34)55(51)85)71-63(93)42(26-76)74-59(89)37(17-18-46(66)81)69-61(91)40(21-32-13-15-33(79)16-14-32)72-62(92)41(25-75)73-57(87)29(3)67-58(88)36(68-31(5)78)11-7-8-19-65/h9-10,12-16,28-30,36-42,44,47,52,75-77,79,82,84,86,94H,7-8,11,17-27,65H2,1-6H3,(H2,66,81)(H,67,88)(H,68,78)(H,69,91)(H,70,90)(H,71,93)(H,72,92)(H,73,87)(H,74,89)/t29-,30-,36-,37-,38-,39-,40-,41-,42-,44-,47-,52+,64-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(C)=O)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CCC(N)=O)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CO)NC(=O)C(C)NC(=O)C(CCCCN)NC(C)=O)C(O)C(C)O1	BLFBLVXNBCOQAQ-JMGWGLOESA-N	.							
PDC_01885	XASXQSL - Doxorubicin conjugate 9	24	30	"InChI=1S/C64H87N9O25/c1-27(2)18-36(59(90)68-35-20-46(97-29(4)52(35)83)98-41-22-64(95,42(78)26-76)21-33-48(41)56(87)50-49(54(33)85)53(84)32-12-9-13-40(96-5)47(32)55(50)86)69-60(91)37(24-74)71-58(89)34(14-15-43(65)79)67-63(94)51(30-10-7-6-8-11-30)72-61(92)38(25-75)70-57(88)28(3)66-62(93)39-19-31(77)23-73(39)44(80)16-17-45(81)82/h9,12-13,27-31,34-39,41,46,51-52,74-77,83,85,87,95H,6-8,10-11,14-26H2,1-5H3,(H2,65,79)(H,66,93)(H,67,94)(H,68,90)(H,69,91)(H,70,88)(H,71,89)(H,72,92)(H,81,82)/t28-,29-,31+,34-,35-,36-,37-,38-,39-,41-,46-,51-,52+,64-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)CCC(=O)O)C2CCCCC2)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(CO)NC(=O)C(C)NC(=O)C2CC(O)CN2C(=O)CCC(=O)O)C2CCCCC2)C(O)C(C)O1	ISBUCKKDYDMNBY-XNSAXKFKSA-N	.							
PDC_01886	XASXQSL - Doxorubicin conjugate 10	24	31	"InChI=1S/C65H89N9O25/c1-28(2)19-37(60(91)69-36-21-47(98-30(4)53(36)84)99-42-23-65(96,43(79)27-77)22-34-49(42)57(88)51-50(55(34)86)54(85)33-13-9-14-41(97-5)48(33)56(51)87)70-61(92)38(25-75)72-59(90)35(17-18-44(66)80)68-64(95)52(31-11-7-6-8-12-31)73-62(93)39(26-76)71-58(89)29(3)67-63(94)40-20-32(78)24-74(40)45(81)15-10-16-46(82)83/h9,13-14,28-32,35-40,42,47,52-53,75-78,84,86,88,96H,6-8,10-12,15-27H2,1-5H3,(H2,66,80)(H,67,94)(H,68,95)(H,69,91)(H,70,92)(H,71,89)(H,72,90)(H,73,93)(H,82,83)/t29-,30-,32+,35-,36-,37-,38-,39-,40-,42-,47-,52-,53+,65-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)CCCC(=O)O)C2CCCCC2)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(CO)NC(=O)C(C)NC(=O)C2CC(O)CN2C(=O)CCCC(=O)O)C2CCCCC2)C(O)C(C)O1	CZXGBIFEWYVYJY-NPLULESDSA-N	.							
PDC_01887	XASXQSL - Doxorubicin conjugate 11	23	27	"InChI=1S/C62H85N9O23/c1-26(2)17-36(57(86)66-35-19-44(93-28(4)50(35)79)94-41-21-62(91,42(77)25-74)20-33-46(41)54(83)48-47(52(33)81)51(80)32-13-10-14-40(92-6)45(32)53(48)82)67-58(87)37(23-72)69-56(85)34(15-16-43(63)78)65-61(90)49(30-11-8-7-9-12-30)70-59(88)38(24-73)68-55(84)27(3)64-60(89)39-18-31(76)22-71(39)29(5)75/h10,13-14,26-28,30-31,34-39,41,44,49-50,72-74,76,79,81,83,91H,7-9,11-12,15-25H2,1-6H3,(H2,63,78)(H,64,89)(H,65,90)(H,66,86)(H,67,87)(H,68,84)(H,69,85)(H,70,88)/t27-,28-,31+,34-,35-,36-,37-,38-,39-,41-,44-,49-,50+,62-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(C)=O)C2CCCCC2)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(CO)NC(=O)C(C)NC(=O)C2CC(O)CN2C(C)=O)C2CCCCC2)C(O)C(C)O1	GCFWZNYMSAWITM-RDJWJDLBSA-N	.							
PDC_01888	XYQSSSL - Doxorubicin conjugate	25	33	"InChI=1S/C63H84N10O24/c1-27(2)18-37(58(89)68-36-20-46(96-28(3)51(36)82)97-43-22-63(94,44(80)26-77)21-33-48(43)55(86)50-49(53(33)84)52(83)32-8-6-10-42(95-5)47(32)54(50)85)69-60(91)39(23-74)72-62(93)41(25-76)73-61(92)40(24-75)71-57(88)35(15-16-45(65)81)67-59(90)38(19-30-11-13-31(79)14-12-30)70-56(87)34(9-7-17-64)66-29(4)78/h6,8,10-14,27-28,34-41,43,46,51,74-77,79,82,84,86,94H,7,9,15-26,64H2,1-5H3,(H2,65,81)(H,66,78)(H,67,90)(H,68,89)(H,69,91)(H,70,87)(H,71,88)(H,72,93)(H,73,92)/t28-,34-,35-,36-,37-,38-,39-,40-,41-,43-,46-,51+,63-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCN)NC(C)=O)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CCC(N)=O)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CCCN)NC(C)=O)C(O)C(C)O1	YVWIGJKTYWIEIE-HNNNPNMLSA-N	.							
PDC_01889	KYQSSSL - Doxorubicin conjugate	25	34	"InChI=1S/C64H86N10O24/c1-28(2)19-38(59(90)69-37-21-47(97-29(3)52(37)83)98-44-23-64(95,45(81)27-78)22-34-49(44)56(87)51-50(54(34)85)53(84)33-9-8-11-43(96-5)48(33)55(51)86)70-61(92)40(24-75)73-63(94)42(26-77)74-62(93)41(25-76)72-58(89)36(16-17-46(66)82)68-60(91)39(20-31-12-14-32(80)15-13-31)71-57(88)35(67-30(4)79)10-6-7-18-65/h8-9,11-15,28-29,35-42,44,47,52,75-78,80,83,85,87,95H,6-7,10,16-27,65H2,1-5H3,(H2,66,82)(H,67,79)(H,68,91)(H,69,90)(H,70,92)(H,71,88)(H,72,89)(H,73,94)(H,74,93)/t29-,35-,36-,37-,38-,39-,40-,41-,42-,44-,47-,52+,64-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCCN)NC(C)=O)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CCC(N)=O)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CCCCN)NC(C)=O)C(O)C(C)O1	NPKJFIPQVMBOCF-INSBQJFQSA-N	.							
PDC_01890	ANKASYQSSL - Doxorubicin conjugate	29	42	"InChI=1S/C74H102N14O28/c1-31(2)21-43(68(107)82-42-24-54(115-34(5)59(42)98)116-50-26-74(113,51(95)30-92)25-39-56(50)63(102)58-57(61(39)100)60(99)38-11-10-13-49(114-7)55(38)62(58)101)84-72(111)47(28-90)88-73(112)48(29-91)87-67(106)41(18-19-52(76)96)81-69(108)44(22-36-14-16-37(94)17-15-36)85-71(110)46(27-89)86-65(104)33(4)79-66(105)40(12-8-9-20-75)80-70(109)45(23-53(77)97)83-64(103)32(3)78-35(6)93/h10-11,13-17,31-34,40-48,50,54,59,89-92,94,98,100,102,113H,8-9,12,18-30,75H2,1-7H3,(H2,76,96)(H2,77,97)(H,78,93)(H,79,105)(H,80,109)(H,81,108)(H,82,107)(H,83,103)(H,84,111)(H,85,110)(H,86,104)(H,87,106)(H,88,112)/t32-,33-,34-,40-,41-,42-,43-,44-,45-,46-,47-,48-,50-,54-,59+,74-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(C)=O)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CCC(N)=O)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CO)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(CC(N)=O)NC(=O)C(C)NC(C)=O)C(O)C(C)O1	PLXXWYJWGSRMQH-RSMWXOIRSA-N	.							
PDC_01891	ANKASYQSSSL - Doxorubicin conjugate	31	45	"InChI=1S/C77H107N15O30/c1-32(2)21-44(70(112)85-43-24-56(121-35(5)61(43)103)122-52-26-77(119,53(100)31-97)25-40-58(52)65(107)60-59(63(40)105)62(104)39-11-10-13-51(120-7)57(39)64(60)106)87-74(116)48(28-94)91-76(118)50(30-96)92-75(117)49(29-95)90-69(111)42(18-19-54(79)101)84-71(113)45(22-37-14-16-38(99)17-15-37)88-73(115)47(27-93)89-67(109)34(4)82-68(110)41(12-8-9-20-78)83-72(114)46(23-55(80)102)86-66(108)33(3)81-36(6)98/h10-11,13-17,32-35,41-50,52,56,61,93-97,99,103,105,107,119H,8-9,12,18-31,78H2,1-7H3,(H2,79,101)(H2,80,102)(H,81,98)(H,82,110)(H,83,114)(H,84,113)(H,85,112)(H,86,108)(H,87,116)(H,88,115)(H,89,109)(H,90,111)(H,91,118)(H,92,117)/t33-,34-,35-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,52-,56-,61+,77-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(C)=O)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CCC(N)=O)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CO)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(CC(N)=O)NC(=O)C(C)NC(C)=O)C(O)C(C)O1	PHOBLOVOHNAELH-XAOOVTQCSA-N	.							
PDC_01892	ANKASYQSASL - Doxorubicin conjugate	30	44	"InChI=1S/C77H107N15O29/c1-32(2)22-45(71(112)86-44-25-56(120-36(6)61(44)102)121-52-27-77(118,53(99)31-96)26-41-58(52)65(106)60-59(63(41)104)62(103)40-12-11-14-51(119-8)57(40)64(60)105)88-75(116)49(29-94)90-68(109)35(5)83-74(115)48(28-93)92-70(111)43(19-20-54(79)100)85-72(113)46(23-38-15-17-39(98)18-16-38)89-76(117)50(30-95)91-67(108)34(4)82-69(110)42(13-9-10-21-78)84-73(114)47(24-55(80)101)87-66(107)33(3)81-37(7)97/h11-12,14-18,32-36,42-50,52,56,61,93-96,98,102,104,106,118H,9-10,13,19-31,78H2,1-8H3,(H2,79,100)(H2,80,101)(H,81,97)(H,82,110)(H,83,115)(H,84,114)(H,85,113)(H,86,112)(H,87,107)(H,88,116)(H,89,117)(H,90,109)(H,91,108)(H,92,111)/t33-,34-,35-,36-,42-,43-,44-,45-,46-,47-,48-,49-,50-,52-,56-,61+,77-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(C)=O)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CCC(N)=O)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CO)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(CC(N)=O)NC(=O)C(C)NC(C)=O)C(O)C(C)O1	KAGUOMUAWXLXTN-SUCXASDUSA-N	.							
PDC_01893	Amphipathic signal-nuclear localization peptide combination - Porfirin derivative conjugate 1	37	102	.	CSCCC(NC(C)=O)C(=O)NCC(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NCC(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(C(=O)NCCSCC(=O)NCCCOc1ccc(-c2c3ccc4c(-c5cc[n+](C)cc5)c5n6->[Mn+3]7(<-n8c(c(-c9cc[n+](C)cc9)c9ccc(c(-c%10cc[n+](C)cc%10)c6C=C5)[n-]->79)C=Cc28)<-[n-]34)cc1)C(C)C)C(C)C	CSCCC(NC(C)=O)C(=O)NCC(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NCC(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(C(=O)NCCSCC(=O)NCCCOc1ccc(-c2c3n4->[Mn+3]56<-n7c(c(-c8cc[n+](C)cc8)c8ccc2[n-]->58)C=Cc7c(-c2cc[n+](C)cc2)c2ccc(c(-c5cc[n+](C)cc5)c4C=C3)[n-]->62)cc1)C(C)C)C(C)C	.	.							
PDC_01894	Amphipathic signal-nuclear localization peptide combination - Porfirin derivative conjugate 2	37	102	"InChI=1S/C163H246N42O27S2/c1-91(2)78-125(188-134(209)87-176-148(217)124(61-76-233-25)183-103(21)206)149(218)177-88-135(210)189-126(79-92(3)4)156(225)199-131(84-108-85-171-90-178-108)159(228)197-129(82-95(9)10)158(227)198-130(83-96(11)12)160(229)202-142(98(15)16)162(231)200-127(80-93(5)6)155(224)182-101(19)144(213)180-100(18)143(212)181-102(20)146(215)196-128(81-94(7)8)157(226)195-123(53-54-132(168)207)147(216)175-86-133(208)179-99(17)145(214)190-118(36-26-30-62-164)150(219)191-119(37-27-31-63-165)151(220)192-120(38-28-32-64-166)152(221)194-122(40-34-66-174-163(169)170)153(222)193-121(39-29-33-65-167)154(223)201-141(97(13)14)161(230)173-68-77-234-89-136(211)172-67-35-75-232-109-43-41-104(42-44-109)137-110-45-47-112(184-110)138(105-55-69-203(22)70-56-105)114-49-51-116(186-114)140(107-59-73-205(24)74-60-107)117-52-50-115(187-117)139(113-48-46-111(137)185-113)106-57-71-204(23)72-58-106/h41-52,55-60,69-74,85,90-102,118-131,141-142H,26-40,53-54,61-68,75-84,86-89,164-167H2,1-25H3,(H31-2,168,169,170,171,172,173,174,175,176,177,178,179,180,181,182,183,184,185,186,187,188,189,190,191,192,193,194,195,196,197,198,199,200,201,202,206,207,208,209,210,211,212,213,214,215,216,217,218,219,220,221,222,223,224,225,226,227,228,229,230,231)/p+3/t99-,100-,101-,102-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,141-,142-/m0/s1"	CSCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)NCCSCC(=O)NCCCOc1ccc(-c2c3ccc([nH]3)c(-c3cc[n+](C)cc3)c3nc(c(-c4cc[n+](C)cc4)c4nc(c(-c5cc[n+](C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(C)C)C(C)C	CSCCC(NC(C)=O)C(=O)NCC(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NCC(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(C(=O)NCCSCC(=O)NCCCOc1ccc(-c2c3ccc([nH]3)c(-c3cc[n+](C)cc3)c3nc(c(-c4cc[n+](C)cc4)c4nc(c(-c5cc[n+](C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(C)C)C(C)C	VKYVDFIZSSZFPT-MBWLWLQNSA-Q	.							
PDC_01895	Partially truncated AP-1-like peptide 1 - Anthraquinone derivative conjugate	15	30	"InChI=1S/C47H67N13O12S/c1-24(54-36(62)18-17-35(61)52-22-21-51-31-15-9-13-30-37(31)39(64)29-12-6-5-11-28(29)38(30)63)40(65)55-26(3)42(67)58-32(14-7-8-19-48)44(69)60-34(23-73)45(70)59-33(16-10-20-53-47(49)50)43(68)56-25(2)41(66)57-27(4)46(71)72/h5-6,9,11-13,15,24-27,32-34,51,73H,7-8,10,14,16-23,48H2,1-4H3,(H,52,61)(H,54,62)(H,55,65)(H,56,68)(H,57,66)(H,58,67)(H,59,70)(H,60,69)(H,71,72)(H4,49,50,53)/t24-,25-,26-,27-,32-,33-,34-/m0/s1"	C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCC(=O)NCCNc1cccc2c1C(=O)c1ccccc1C2=O)C(=O)O	CC(NC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CS)NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)C(C)NC(=O)CCC(=O)NCCNc1cccc2c1C(=O)c1ccccc1C2=O)C(=O)O	DHHDXXMTSGOTMM-KDBGIXLGSA-N	.							
PDC_01896	Partially truncated AP-1-like peptide 2 - Anthraquinone derivative conjugate	17	38	"InChI=1S/C53H81N17O12S/c1-29(64-41(72)21-20-40(71)61-27-26-60-34-17-9-14-33-42(34)44(74)32-13-4-3-12-31(32)43(33)73)45(75)66-35(15-5-7-22-54)49(79)70-39(28-83)50(80)69-38(19-11-25-63-53(58)59)48(78)67-36(16-6-8-23-55)47(77)68-37(18-10-24-62-52(56)57)46(76)65-30(2)51(81)82/h3-4,9,12-14,17,29-30,35-39,60,83H,5-8,10-11,15-16,18-28,54-55H2,1-2H3,(H,61,71)(H,64,72)(H,65,76)(H,66,75)(H,67,78)(H,68,77)(H,69,80)(H,70,79)(H,81,82)(H4,56,57,62)(H4,58,59,63)/t29-,30-,35-,36-,37-,38-,39-/m0/s1"	C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)CCC(=O)NCCNc1cccc2c1C(=O)c1ccccc1C2=O)C(=O)O	CC(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(CS)NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)CCC(=O)NCCNc1cccc2c1C(=O)c1ccccc1C2=O)C(=O)O	YRMBVBAFXMDQTQ-XMCWTHEPSA-N	.							
PDC_01897	Partially truncated AP-1-like peptide 3 - Anthraquinone derivative conjugate	17	36	"InChI=1S/C51H75N17O13S/c1-26(62-39(71)18-17-38(70)59-23-22-58-31-14-7-12-30-40(31)42(73)29-11-4-3-10-28(29)41(30)72)43(74)64-32(13-5-6-19-52)46(77)68-36(25-82)48(79)66-34(16-9-21-61-51(56)57)45(76)67-35(24-37(53)69)47(78)65-33(15-8-20-60-50(54)55)44(75)63-27(2)49(80)81/h3-4,7,10-12,14,26-27,32-36,58,82H,5-6,8-9,13,15-25,52H2,1-2H3,(H2,53,69)(H,59,70)(H,62,71)(H,63,75)(H,64,74)(H,65,78)(H,66,79)(H,67,76)(H,68,77)(H,80,81)(H4,54,55,60)(H4,56,57,61)/t26-,27-,32-,33-,34-,35-,36-/m0/s1"	C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)CCC(=O)NCCNc1cccc2c1C(=O)c1ccccc1C2=O)C(=O)O	CC(NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(N)=O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CS)NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)CCC(=O)NCCNc1cccc2c1C(=O)c1ccccc1C2=O)C(=O)O	BHPWUBVAGUAZQW-URBJQDJMSA-N	.							
PDC_01898	Partially truncated AP-1-like peptide 4 - Anthraquinone derivative conjugate	15	32	"InChI=1S/C47H69N13O11S/c1-26(55-37(62)19-18-36(61)53-24-23-52-31-16-9-13-30-38(31)40(64)29-12-4-3-11-28(29)39(30)63)41(65)57-33(15-6-8-21-49)44(68)60-35(25-72)45(69)59-34(17-10-22-54-47(50)51)43(67)58-32(14-5-7-20-48)42(66)56-27(2)46(70)71/h3-4,9,11-13,16,26-27,32-35,52,72H,5-8,10,14-15,17-25,48-49H2,1-2H3,(H,53,61)(H,55,62)(H,56,66)(H,57,65)(H,58,67)(H,59,69)(H,60,68)(H,70,71)(H4,50,51,54)/t26-,27-,32-,33-,34-,35-/m0/s1"	C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)CCC(=O)NCCNc1cccc2c1C(=O)c1ccccc1C2=O)C(=O)O	CC(NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(CS)NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)CCC(=O)NCCNc1cccc2c1C(=O)c1ccccc1C2=O)C(=O)O	UPCIGJZPVPFZER-FEHNMTFMSA-N	.							
PDC_01899	Partially truncated AP-1-like peptide 5 - Anthraquinone derivative conjugate	15	30	"InChI=1S/C45H63N13O12S/c1-23(53-35(61)16-15-34(60)51-20-19-50-28-13-7-11-27-36(28)38(63)26-10-4-3-9-25(26)37(27)62)39(64)55-29(12-5-6-17-46)41(66)58-32(22-71)43(68)56-30(14-8-18-52-45(48)49)40(65)57-31(21-33(47)59)42(67)54-24(2)44(69)70/h3-4,7,9-11,13,23-24,29-32,50,71H,5-6,8,12,14-22,46H2,1-2H3,(H2,47,59)(H,51,60)(H,53,61)(H,54,67)(H,55,64)(H,56,68)(H,57,65)(H,58,66)(H,69,70)(H4,48,49,52)/t23-,24-,29-,30-,31-,32-/m0/s1"	C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)CCC(=O)NCCNc1cccc2c1C(=O)c1ccccc1C2=O)C(=O)O	CC(NC(=O)C(CC(N)=O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CS)NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)CCC(=O)NCCNc1cccc2c1C(=O)c1ccccc1C2=O)C(=O)O	WFLMHDWNGULAEL-RRXIKBFASA-N	.							
PDC_01900	Partially truncated AP-1-like peptide 6 - Anthraquinone derivative conjugate	13	26	"InChI=1S/C41H57N11O11/c1-22(48-32(55)16-15-31(54)46-20-19-45-27-13-7-11-26-33(27)35(57)25-10-4-3-9-24(25)34(26)56)36(58)50-28(12-5-6-17-42)38(60)52-30(21-53)39(61)51-29(14-8-18-47-41(43)44)37(59)49-23(2)40(62)63/h3-4,7,9-11,13,22-23,28-30,45,53H,5-6,8,12,14-21,42H2,1-2H3,(H,46,54)(H,48,55)(H,49,59)(H,50,58)(H,51,61)(H,52,60)(H,62,63)(H4,43,44,47)/t22-,23-,28-,29-,30-/m0/s1"	C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)CCC(=O)NCCNc1cccc2c1C(=O)c1ccccc1C2=O)C(=O)O	CC(NC(=O)C(CCCNC(=N)N)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)CCC(=O)NCCNc1cccc2c1C(=O)c1ccccc1C2=O)C(=O)O	QDHHGOCXGKXIOA-YMGWWJNLSA-N	.							
PDC_01901	Partially truncated AP-1-like peptide 7 - Anthraquinone derivative conjugate	13	26	"InChI=1S/C41H57N11O10S/c1-22(48-32(54)16-15-31(53)46-20-19-45-27-13-7-11-26-33(27)35(56)25-10-4-3-9-24(25)34(26)55)36(57)50-28(12-5-6-17-42)38(59)52-30(21-63)39(60)51-29(14-8-18-47-41(43)44)37(58)49-23(2)40(61)62/h3-4,7,9-11,13,22-23,28-30,45,63H,5-6,8,12,14-21,42H2,1-2H3,(H,46,53)(H,48,54)(H,49,58)(H,50,57)(H,51,60)(H,52,59)(H,61,62)(H4,43,44,47)/t22-,23-,28-,29-,30-/m0/s1"	C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)CCC(=O)NCCNc1cccc2c1C(=O)c1ccccc1C2=O)C(=O)O	CC(NC(=O)C(CCCNC(=N)N)NC(=O)C(CS)NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)CCC(=O)NCCNc1cccc2c1C(=O)c1ccccc1C2=O)C(=O)O	DVKACPFGZNPARQ-YMGWWJNLSA-N	.							
PDC_01902	Partially truncated AP-1-like peptide 8 - Anthraquinone derivative conjugate	13	26	"InChI=1S/C41H57N11O10S/c1-22(48-32(54)16-15-31(53)46-20-19-45-27-13-7-11-26-33(27)35(56)25-10-4-3-9-24(25)34(26)55)36(57)50-29(14-8-18-47-41(43)44)38(59)52-30(21-63)39(60)51-28(12-5-6-17-42)37(58)49-23(2)40(61)62/h3-4,7,9-11,13,22-23,28-30,45,63H,5-6,8,12,14-21,42H2,1-2H3,(H,46,53)(H,48,54)(H,49,58)(H,50,57)(H,51,60)(H,52,59)(H,61,62)(H4,43,44,47)/t22-,23-,28-,29-,30-/m0/s1"	C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CCC(=O)NCCNc1cccc2c1C(=O)c1ccccc1C2=O)C(=O)O	CC(NC(=O)C(CCCCN)NC(=O)C(CS)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)CCC(=O)NCCNc1cccc2c1C(=O)c1ccccc1C2=O)C(=O)O	JVIFAUNQOHALQT-YMGWWJNLSA-N	.							
PDC_01903	Oligoglycin 1 - Camptothecin conjugate 1	13	15	"InChI=1S/C33H38N8O10/c1-2-33(49)22-10-24-30-19(16-41(24)31(47)21(22)17-51-32(33)48)8-18-9-20(4-5-23(18)40-30)50-7-3-6-35-26(43)12-37-28(45)14-39-29(46)15-38-27(44)13-36-25(42)11-34/h4-5,8-10,49H,2-3,6-7,11-17,34H2,1H3,(H,35,43)(H,36,42)(H,37,45)(H,38,44)(H,39,46)/t33-/m0/s1"	CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OCCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN)ccc3nc2-1	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OCCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN)ccc3nc2-1	NQVXSPAIACYLHW-XIFFEERXSA-N	.							
PDC_01904	Oligoglycin 2 - Camptothecin conjugate 3	12	13	"InChI=1S/C31H35N7O9/c1-2-31(45)21-10-23-28-18(15-38(23)29(43)20(21)16-47-30(31)44)8-17-9-19(4-5-22(17)37-28)46-7-3-6-33-25(40)12-35-27(42)14-36-26(41)13-34-24(39)11-32/h4-5,8-10,45H,2-3,6-7,11-16,32H2,1H3,(H,33,40)(H,34,39)(H,35,42)(H,36,41)/t31-/m0/s1"	CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OCCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CN)ccc3nc2-1	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OCCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CN)ccc3nc2-1	VMASWRVTLIGNHF-HKBQPEDESA-N	.							
PDC_01905	Oligoglycin 3 - Camptothecin conjugate 5	11	11	"InChI=1S/C29H32N6O8/c1-2-29(41)20-10-22-26-17(14-35(22)27(39)19(20)15-43-28(29)40)8-16-9-18(4-5-21(16)34-26)42-7-3-6-31-24(37)12-33-25(38)13-32-23(36)11-30/h4-5,8-10,41H,2-3,6-7,11-15,30H2,1H3,(H,31,37)(H,32,36)(H,33,38)/t29-/m0/s1"	CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OCCCNC(=O)CNC(=O)CNC(=O)CN)ccc3nc2-1	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OCCCNC(=O)CNC(=O)CNC(=O)CN)ccc3nc2-1	JWFIFPNLAYKDFD-LJAQVGFWSA-N	.							
PDC_01906	Oligoglycin 4 - Camptothecin conjugate 7	10	9	"InChI=1S/C27H29N5O7/c1-2-27(37)19-10-21-24-16(13-32(21)25(35)18(19)14-39-26(27)36)8-15-9-17(4-5-20(15)31-24)38-7-3-6-29-23(34)12-30-22(33)11-28/h4-5,8-10,37H,2-3,6-7,11-14,28H2,1H3,(H,29,34)(H,30,33)/t27-/m0/s1"	CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OCCCNC(=O)CNC(=O)CN)ccc3nc2-1	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OCCCNC(=O)CNC(=O)CN)ccc3nc2-1	BJDKZCOPJFZCNZ-MHZLTWQESA-N	.							
PDC_01907	Oligoglycin 1 - Camptothecin conjugate 2	14	16	"InChI=1S/C38H46N8O12/c1-5-38(55)25-13-27-33-22(19-46(27)34(52)24(25)20-57-35(38)53)11-21-12-23(7-8-26(21)45-33)56-10-6-9-39-28(47)14-40-29(48)15-41-30(49)16-42-31(50)17-43-32(51)18-44-36(54)58-37(2,3)4/h7-8,11-13,55H,5-6,9-10,14-20H2,1-4H3,(H,39,47)(H,40,48)(H,41,49)(H,42,50)(H,43,51)(H,44,54)/t38-/m0/s1"	CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OCCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)OC(C)(C)C)ccc3nc2-1	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OCCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)OC(C)(C)C)ccc3nc2-1	QGDFVZQLURDBIM-LHEWISCISA-N	.							
PDC_01908	Oligoglycin 2 - Camptothecin conjugate 4	13	14	"InChI=1S/C36H43N7O11/c1-5-36(51)24-13-26-31-21(18-43(26)32(48)23(24)19-53-33(36)49)11-20-12-22(7-8-25(20)42-31)52-10-6-9-37-27(44)14-38-28(45)15-39-29(46)16-40-30(47)17-41-34(50)54-35(2,3)4/h7-8,11-13,51H,5-6,9-10,14-19H2,1-4H3,(H,37,44)(H,38,45)(H,39,46)(H,40,47)(H,41,50)/t36-/m0/s1"	CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OCCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)OC(C)(C)C)ccc3nc2-1	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OCCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)OC(C)(C)C)ccc3nc2-1	LOMNFEHLAOZTLO-BHVANESWSA-N	.							
PDC_01909	Oligoglycin 3 - Camptothecin conjugate 6	12	12	"InChI=1S/C34H40N6O10/c1-5-34(47)23-13-25-29-20(17-40(25)30(44)22(23)18-49-31(34)45)11-19-12-21(7-8-24(19)39-29)48-10-6-9-35-26(41)14-36-27(42)15-37-28(43)16-38-32(46)50-33(2,3)4/h7-8,11-13,47H,5-6,9-10,14-18H2,1-4H3,(H,35,41)(H,36,42)(H,37,43)(H,38,46)/t34-/m0/s1"	CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OCCCNC(=O)CNC(=O)CNC(=O)CNC(=O)OC(C)(C)C)ccc3nc2-1	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OCCCNC(=O)CNC(=O)CNC(=O)CNC(=O)OC(C)(C)C)ccc3nc2-1	WGWRDTREWHHOPR-UMSFTDKQSA-N	.							
PDC_01910	Oligoglycin 4 - Camptothecin conjugate 8	11	10	"InChI=1S/C32H37N5O9/c1-5-32(43)22-13-24-27-19(16-37(24)28(40)21(22)17-45-29(32)41)11-18-12-20(7-8-23(18)36-27)44-10-6-9-33-25(38)14-34-26(39)15-35-30(42)46-31(2,3)4/h7-8,11-13,43H,5-6,9-10,14-17H2,1-4H3,(H,33,38)(H,34,39)(H,35,42)/t32-/m0/s1"	CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OCCCNC(=O)CNC(=O)CNC(=O)OC(C)(C)C)ccc3nc2-1	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OCCCNC(=O)CNC(=O)CNC(=O)OC(C)(C)C)ccc3nc2-1	YQPTVFULGBWOHD-YTTGMZPUSA-N	.							
PDC_01911	Tetrapeptide 53 - Camptothecin conjugate	13	16	"InChI=1S/C43H49N7O11/c1-5-43(58)30-19-33-37-27(23-50(33)39(55)29(30)24-60-40(43)56)17-26-18-28(12-13-31(26)49-37)59-15-9-14-44-34(51)20-46-38(54)32(16-25-10-7-6-8-11-25)48-36(53)22-45-35(52)21-47-41(57)61-42(2,3)4/h6-8,10-13,17-19,32,58H,5,9,14-16,20-24H2,1-4H3,(H,44,51)(H,45,52)(H,46,54)(H,47,57)(H,48,53)/t32-,43-/m0/s1"	CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OCCCNC(=O)CNC(=O)[C@H](Cc4ccccc4)NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)ccc3nc2-1	CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OCCCNC(=O)CNC(=O)C(Cc4ccccc4)NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)ccc3nc2-1	ITAWBYGKPWTRNB-ZUHDFBLUSA-N	.							
PDC_01912	Tetrapeptide 54 - Irofulven derivative conjugate	8	18	"InChI=1S/C38H58N4O8S/c1-19(2)13-27(33(45)40-28(14-20(3)4)34(46)42-29(36(48)49)15-21(5)6)41-35(47)30(39-24(9)43)18-51-17-26-22(7)16-25-31(26)23(8)38(11-12-38)37(10,50)32(25)44/h16,19-21,27-30,50H,11-15,17-18H2,1-10H3,(H,39,43)(H,40,45)(H,41,47)(H,42,46)(H,48,49)/t27-,28-,29-,30-,37-/m0/s1"	CC(=O)N[C@@H](CSCC1=C(C)C=C2C(=O)[C@](C)(O)C3(CC3)C(C)=C21)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O	CC(=O)NC(CSCC1=C(C)C=C2C(=O)C(C)(O)C3(CC3)C(C)=C21)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)O	MTIZCUWNLDBFAH-FKWXJTHWSA-N	.							
PDC_01913	Tetrapeptide 55 - Irofulven derivative conjugate	8	18	"InChI=1S/C41H56N4O8S/c1-22(2)16-30(36(48)43-31(17-23(3)4)37(49)45-32(39(51)52)19-27-12-10-9-11-13-27)44-38(50)33(42-26(7)46)21-54-20-29-24(5)18-28-34(29)25(6)41(14-15-41)40(8,53)35(28)47/h9-13,18,22-23,30-33,53H,14-17,19-21H2,1-8H3,(H,42,46)(H,43,48)(H,44,50)(H,45,49)(H,51,52)/t30-,31-,32-,33-,40-/m0/s1"	CC(=O)N[C@@H](CSCC1=C(C)C=C2C(=O)[C@](C)(O)C3(CC3)C(C)=C21)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	CC(=O)NC(CSCC1=C(C)C=C2C(=O)C(C)(O)C3(CC3)C(C)=C21)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(Cc1ccccc1)C(=O)O	YEXCWPYAFVNJLQ-SIENXNJMSA-N	.							
PDC_01914	Tetrapeptide 56 - Irofulven derivative conjugate	8	16	"InChI=1S/C37H48N4O8S/c1-20(2)14-27(33(45)38-17-30(43)40-28(35(47)48)16-24-10-8-7-9-11-24)41-34(46)29(39-23(5)42)19-50-18-26-21(3)15-25-31(26)22(4)37(12-13-37)36(6,49)32(25)44/h7-11,15,20,27-29,49H,12-14,16-19H2,1-6H3,(H,38,45)(H,39,42)(H,40,43)(H,41,46)(H,47,48)/t27-,28-,29-,36-/m0/s1"	CC(=O)N[C@@H](CSCC1=C(C)C=C2C(=O)[C@](C)(O)C3(CC3)C(C)=C21)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O	CC(=O)NC(CSCC1=C(C)C=C2C(=O)C(C)(O)C3(CC3)C(C)=C21)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)O	NNQAUEBHERWDAJ-DJWGBOQKSA-N	.							
PDC_01915	Tetrapeptide 57 - Irofulven derivative conjugate	8	16	"InChI=1S/C37H48N4O8S/c1-20(2)14-28(35(47)48)40-30(43)17-38-33(45)27(16-24-10-8-7-9-11-24)41-34(46)29(39-23(5)42)19-50-18-26-21(3)15-25-31(26)22(4)37(12-13-37)36(6,49)32(25)44/h7-11,15,20,27-29,49H,12-14,16-19H2,1-6H3,(H,38,45)(H,39,42)(H,40,43)(H,41,46)(H,47,48)/t27-,28-,29-,36-/m0/s1"	CC(=O)N[C@@H](CSCC1=C(C)C=C2C(=O)[C@](C)(O)C3(CC3)C(C)=C21)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O	CC(=O)NC(CSCC1=C(C)C=C2C(=O)C(C)(O)C3(CC3)C(C)=C21)C(=O)NC(Cc1ccccc1)C(=O)NCC(=O)NC(CC(C)C)C(=O)O	XRDSSNHHEACVLW-DJWGBOQKSA-N	.							
PDC_01916	Tripeptide 110 - 9-(Phenylamino)-4-acridinecarboxylic acid conjugate	6	9	"InChI=1S/C28H28N6O4/c1-16(26(29)36)32-27(37)17(2)31-23(35)15-30-28(38)21-13-8-12-20-24(33-18-9-4-3-5-10-18)19-11-6-7-14-22(19)34-25(20)21/h3-14,16-17H,15H2,1-2H3,(H2,29,36)(H,30,38)(H,31,35)(H,32,37)(H,33,34)/t16-,17-/m0/s1"	C[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)c1cccc2c(Nc3ccccc3)c3ccccc3nc12)C(N)=O	CC(NC(=O)C(C)NC(=O)CNC(=O)c1cccc2c(Nc3ccccc3)c3ccccc3nc12)C(N)=O	HUJLBIHBJOFBQA-IRXDYDNUSA-N	.							
PDC_01917	Tripeptide 111 - 9-(Phenylamino)-4-acridinecarboxylic acid conjugate	8	17	"InChI=1S/C34H42N8O4/c35-19-8-6-17-27(32(37)44)42-34(46)28(18-7-9-20-36)40-29(43)21-38-33(45)25-15-10-14-24-30(39-22-11-2-1-3-12-22)23-13-4-5-16-26(23)41-31(24)25/h1-5,10-16,27-28H,6-9,17-21,35-36H2,(H2,37,44)(H,38,45)(H,39,41)(H,40,43)(H,42,46)/t27-,28-/m0/s1"	NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)c1cccc2c(Nc3ccccc3)c3ccccc3nc12)C(N)=O	NCCCCC(NC(=O)C(CCCCN)NC(=O)CNC(=O)c1cccc2c(Nc3ccccc3)c3ccccc3nc12)C(N)=O	UWDYNIJTERATHY-NSOVKSMOSA-N	.							
PDC_01918	Tripeptide 112 - 9-(Phenylamino)-4-acridinecarboxylic acid conjugate	8	14	"InChI=1S/C31H35N9O5/c32-28(43)24(17-41)40-30(45)23(14-7-15-35-31(33)34)38-25(42)16-36-29(44)21-12-6-11-20-26(37-18-8-2-1-3-9-18)19-10-4-5-13-22(19)39-27(20)21/h1-6,8-13,23-24,41H,7,14-17H2,(H2,32,43)(H,36,44)(H,37,39)(H,38,42)(H,40,45)(H4,33,34,35)/t23-,24-/m0/s1"	N=C(N)NCCC[C@H](NC(=O)CNC(=O)c1cccc2c(Nc3ccccc3)c3ccccc3nc12)C(=O)N[C@@H](CO)C(N)=O	N=C(N)NCCCC(NC(=O)CNC(=O)c1cccc2c(Nc3ccccc3)c3ccccc3nc12)C(=O)NC(CO)C(N)=O	BWKWXLSRJOGGQQ-ZEQRLZLVSA-N	.							
PDC_01919	"Vasoactive intestinal peptide (VIP) fragment - 3H-Indolium, 5-carboxy-2-[7-[1,3-dihydro-3,3-dimethyl-1-(4-sulfobutyl)-2H-indol-2-ylidene]-1,3,5-heptatrien-1-yl]-3,3-dimethyl-1-(4-sulfobutyl)-, inner salt conjugate"	25	66	"InChI=1S/C97H149N21O22S3/c1-59(2)55-73(91(130)115-75(94(133)134)58-81(102)121)113-92(131)74(56-62-37-40-64(119)41-38-62)114-89(128)68(31-19-22-47-99)109-87(126)69(32-20-23-48-100)112-93(132)82(60(3)4)116-83(122)61(5)106-85(124)72(45-52-141-10)111-90(129)71(42-44-80(101)120)110-86(125)67(30-18-21-46-98)108-88(127)70(33-28-49-105-95(103)104)107-84(123)63-39-43-77-66(57-63)97(8,9)79(118(77)51-25-27-54-143(138,139)140)36-15-13-11-12-14-35-78-96(6,7)65-29-16-17-34-76(65)117(78)50-24-26-53-142(135,136)137/h11-17,29,34-41,43,57,59-61,67-75,82H,18-28,30-33,42,44-56,58,98-100H2,1-10H3,(H22-,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,119,120,121,122,123,124,125,126,127,128,129,130,131,132,133,134,135,136,137,138,139,140)/p+1/t61-,67-,68-,69-,70-,71-,72-,73-,74-,75-,82-/m0/s1"	CSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc2c(c1)C(C)(C)C(C=CC=CC=CC=C1N(CCCCS(=O)(=O)O)c3ccccc3C1(C)C)=[N+]2CCCCS(=O)(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O)C(C)C	CSCCC(NC(=O)C(CCC(N)=O)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)c1ccc2c(c1)C(C)(C)C(C=CC=CC=CC=C1N(CCCCS(=O)(=O)O)c3ccccc3C1(C)C)=[N+]2CCCCS(=O)(=O)O)C(=O)NC(C)C(=O)NC(C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(=O)O)C(C)C	FKWOVQUVUJWODY-CXAKRQLFSA-O	.							
PDC_01920	"Model peptide 2 - 3H-Indolium, 5-carboxy-2-[7-[1,3-dihydro-3,3-dimethyl-1-(4-sulfobutyl)-2H-indol-2-ylidene]-1,3,5-heptatrien-1-yl]-3,3-dimethyl-1-(4-sulfobutyl)-, inner salt conjugate"	11	31	"InChI=1S/C60H87N7O13S2/c1-13-40(6)52(57(72)64-47(36-39(4)5)56(71)62-42(8)58(73)74)65-53(68)41(7)61-55(70)46(35-38(2)3)63-54(69)43-29-30-49-45(37-43)60(11,12)51(67(49)32-22-24-34-82(78,79)80)28-18-16-14-15-17-27-50-59(9,10)44-25-19-20-26-48(44)66(50)31-21-23-33-81(75,76)77/h14-20,25-30,37-42,46-47,52H,13,21-24,31-36H2,1-12H3,(H7-,61,62,63,64,65,68,69,70,71,72,73,74,75,76,77,78,79,80)/p+1/t40-,41-,42-,46-,47-,52-/m0/s1"	CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)c1ccc2c(c1)C(C)(C)C(C=CC=CC=CC=C1N(CCCCS(=O)(=O)O)c3ccccc3C1(C)C)=[N+]2CCCCS(=O)(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O	CCC(C)C(NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)c1ccc2c(c1)C(C)(C)C(C=CC=CC=CC=C1N(CCCCS(=O)(=O)O)c3ccccc3C1(C)C)=[N+]2CCCCS(=O)(=O)O)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)O	SPAWNGAOKCIBLA-BZLUGXERSA-O	.							
PDC_01921	Lysosomally degradable peptide 1 - Tetraphenyl porphyrin (TPP) derivative conjugate 1	19	52	"InChI=1S/C112H128N18O17/c1-74(2)66-93(128-109(141)94(67-75-32-14-6-15-33-75)127-98(134)69-118-107(139)92(59-60-96(132)114-61-29-13-27-46-101(137)145-5)126-100(136)71-130(4)112(144)147-73-77-36-18-8-19-37-77)108(140)119-68-97(133)125-91(106(138)116-65-64-115-99(135)70-129(3)111(143)146-72-76-34-16-7-17-35-76)44-28-31-62-113-95(131)45-26-12-30-63-117-110(142)120-82-49-47-81(48-50-82)105-89-57-55-87(123-89)103(79-40-22-10-23-41-79)85-53-51-83(121-85)102(78-38-20-9-21-39-78)84-52-54-86(122-84)104(80-42-24-11-25-43-80)88-56-58-90(105)124-88/h6-11,14-25,32-43,47-58,74,91-94,123-124H,12-13,26-31,44-46,59-73H2,1-5H3,(H,113,131)(H,114,132)(H,115,135)(H,116,138)(H,118,139)(H,119,140)(H,125,133)(H,126,136)(H,127,134)(H,128,141)(H2,117,120,142)/t91-,92-,93-,94-/m0/s1"	COC(=O)CCCCCNC(=O)CC[C@H](NC(=O)CN(C)C(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)NCCNC(=O)CN(C)C(=O)OCc1ccccc1	COC(=O)CCCCCNC(=O)CCC(NC(=O)CN(C)C(=O)OCc1ccccc1)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCCCNC(=O)CCCCCNC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)NCCNC(=O)CN(C)C(=O)OCc1ccccc1	AQIDFBWANCNJHO-PNYUUPONSA-N	.							
PDC_01922	Lysosomally degradable peptide 2 - Tetraphenyl porphyrin (TPP) derivative conjugate	16	41	"InChI=1S/C100H106N16O14/c1-65(2)56-83(97(125)105-58-87(119)102-54-55-103-90(122)61-115(3)99(127)129-63-67-28-14-6-15-29-67)114-98(126)84(57-66-26-12-5-13-27-66)113-89(121)60-106-96(124)82(112-91(123)62-116(4)100(128)130-64-68-30-16-7-17-31-68)51-52-86(118)101-53-25-11-24-38-85(117)104-59-88(120)107-73-41-39-72(40-42-73)95-80-49-47-78(110-80)93(70-34-20-9-21-35-70)76-45-43-74(108-76)92(69-32-18-8-19-33-69)75-44-46-77(109-75)94(71-36-22-10-23-37-71)79-48-50-81(95)111-79/h5-10,12-23,26-37,39-50,65,82-84,110-111H,11,24-25,38,51-64H2,1-4H3,(H,101,118)(H,102,119)(H,103,122)(H,104,117)(H,105,125)(H,106,124)(H,107,120)(H,112,123)(H,113,121)(H,114,126)/t82-,83-,84-/m0/s1"	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCC(=O)NCCCCCC(=O)NCC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)NC(=O)CN(C)C(=O)OCc1ccccc1)C(=O)NCC(=O)NCCNC(=O)CN(C)C(=O)OCc1ccccc1	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(CCC(=O)NCCCCCC(=O)NCC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)NC(=O)CN(C)C(=O)OCc1ccccc1)C(=O)NCC(=O)NCCNC(=O)CN(C)C(=O)OCc1ccccc1	KCKAEDVBJADFSS-WIRHYMITSA-N	.							
PDC_01923	Lysosomally degradable peptide 1 - Tetraphenyl porphyrin (TPP) derivative conjugate 2	19	49	"InChI=1S/C109H119Cl3N18O17/c1-70(2)60-89(104(140)119-63-94(134)125-87(40-25-27-57-116-106(142)147-69-109(110,111)112)102(138)115-59-58-114-96(136)65-129(3)107(143)145-67-72-30-14-6-15-31-72)128-105(141)90(61-71-28-12-5-13-29-71)127-95(135)64-118-103(139)88(126-97(137)66-130(4)108(144)146-68-73-32-16-7-17-33-73)54-55-92(132)113-56-26-11-24-41-91(131)117-62-93(133)120-78-44-42-77(43-45-78)101-85-52-50-83(123-85)99(75-36-20-9-21-37-75)81-48-46-79(121-81)98(74-34-18-8-19-35-74)80-47-49-82(122-80)100(76-38-22-10-23-39-76)84-51-53-86(101)124-84/h5-10,12-23,28-39,42-53,70,87-90,123-124H,11,24-27,40-41,54-69H2,1-4H3,(H,113,132)(H,114,136)(H,115,138)(H,116,142)(H,117,131)(H,118,139)(H,119,140)(H,120,133)(H,125,134)(H,126,137)(H,127,135)(H,128,141)/t87-,88-,89-,90-/m0/s1"	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCC(=O)NCCCCCC(=O)NCC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)NC(=O)CN(C)C(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCCNC(=O)OCC(Cl)(Cl)Cl)C(=O)NCCNC(=O)CN(C)C(=O)OCc1ccccc1	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(CCC(=O)NCCCCCC(=O)NCC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)NC(=O)CN(C)C(=O)OCc1ccccc1)C(=O)NCC(=O)NC(CCCCNC(=O)OCC(Cl)(Cl)Cl)C(=O)NCCNC(=O)CN(C)C(=O)OCc1ccccc1	GMYKXJCQNACEQK-AFILQZQZSA-N	.							
PDC_01924	Lysosomally degradable peptide 3 - Tetraphenyl porphyrin (TPP) derivative conjugate 3	14	35	"InChI=1S/C94H97N15O12/c1-61(2)53-79(107-91(116)80(54-62-25-11-5-12-26-62)106-81(110)55-98-84(113)58-109(4)94(119)121-60-64-29-15-7-16-30-64)90(115)99-56-82(111)105-78(89(114)96-52-51-95-83(112)57-108(3)93(118)120-59-63-27-13-6-14-28-63)37-23-24-50-97-92(117)100-69-40-38-68(39-41-69)88-76-48-46-74(103-76)86(66-33-19-9-20-34-66)72-44-42-70(101-72)85(65-31-17-8-18-32-65)71-43-45-73(102-71)87(67-35-21-10-22-36-67)75-47-49-77(88)104-75/h5-22,25-36,38-49,61,78-80,103-104H,23-24,37,50-60H2,1-4H3,(H,95,112)(H,96,114)(H,98,113)(H,99,115)(H,105,111)(H,106,110)(H,107,116)(H2,97,100,117)/t78-,79-,80-/m0/s1"	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN(C)C(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCCNC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)NCCNC(=O)CN(C)C(=O)OCc1ccccc1	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CN(C)C(=O)OCc1ccccc1)C(=O)NCC(=O)NC(CCCCNC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)NCCNC(=O)CN(C)C(=O)OCc1ccccc1	WENRXDPTWGKGHI-LTMQYJDMSA-N	.							
PDC_01925	Lysosomally degradable peptide 4 - Tetraphenyl porphyrin (TPP) derivative conjugate 5	14	35	"InChI=1S/C94H97N15O12/c1-61(2)53-79(90(115)98-55-81(110)95-51-52-96-83(112)57-108(3)93(118)120-59-63-27-13-6-14-28-63)107-91(116)80(54-62-25-11-5-12-26-62)106-82(111)56-99-89(114)78(105-84(113)58-109(4)94(119)121-60-64-29-15-7-16-30-64)37-23-24-50-97-92(117)100-69-40-38-68(39-41-69)88-76-48-46-74(103-76)86(66-33-19-9-20-34-66)72-44-42-70(101-72)85(65-31-17-8-18-32-65)71-43-45-73(102-71)87(67-35-21-10-22-36-67)75-47-49-77(88)104-75/h5-22,25-36,38-49,61,78-80,103-104H,23-24,37,50-60H2,1-4H3,(H,95,110)(H,96,112)(H,98,115)(H,99,114)(H,105,113)(H,106,111)(H,107,116)(H2,97,100,117)/t78-,79-,80-/m0/s1"	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCCCNC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)NC(=O)CN(C)C(=O)OCc1ccccc1)C(=O)NCC(=O)NCCNC(=O)CN(C)C(=O)OCc1ccccc1	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(CCCCNC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)NC(=O)CN(C)C(=O)OCc1ccccc1)C(=O)NCC(=O)NCCNC(=O)CN(C)C(=O)OCc1ccccc1	LAQJKWQKFXZTJK-LTMQYJDMSA-N	.							
PDC_01926	Lysosomally degradable peptide 3 - Tetraphenyl porphyrin (TPP) derivative conjugate 4	15	41	"InChI=1S/C100H108N16O13/c1-66(2)58-84(114-97(124)85(59-67-28-12-5-13-29-67)113-87(118)60-105-90(121)63-116(4)100(127)129-65-69-32-16-7-17-33-69)96(123)106-61-88(119)112-83(95(122)103-57-56-102-89(120)62-115(3)99(126)128-64-68-30-14-6-15-31-68)40-25-27-54-101-86(117)41-24-11-26-55-104-98(125)107-74-44-42-73(43-45-74)94-81-52-50-79(110-81)92(71-36-20-9-21-37-71)77-48-46-75(108-77)91(70-34-18-8-19-35-70)76-47-49-78(109-76)93(72-38-22-10-23-39-72)80-51-53-82(94)111-80/h5-10,12-23,28-39,42-53,66,83-85,110-111H,11,24-27,40-41,54-65H2,1-4H3,(H,101,117)(H,102,120)(H,103,122)(H,105,121)(H,106,123)(H,112,119)(H,113,118)(H,114,124)(H2,104,107,125)/t83-,84-,85-/m0/s1"	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN(C)C(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)NCCNC(=O)CN(C)C(=O)OCc1ccccc1	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CN(C)C(=O)OCc1ccccc1)C(=O)NCC(=O)NC(CCCCNC(=O)CCCCCNC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)NCCNC(=O)CN(C)C(=O)OCc1ccccc1	MGKSICZZRGHJMY-GBDQAQDBSA-N	.							
PDC_01927	Lysosomally degradable peptide 4 - Tetraphenyl porphyrin (TPP) derivative conjugate 6	15	41	"InChI=1S/C100H108N16O13/c1-66(2)58-84(96(123)105-60-87(118)102-56-57-103-89(120)62-115(3)99(126)128-64-68-30-14-6-15-31-68)114-97(124)85(59-67-28-12-5-13-29-67)113-88(119)61-106-95(122)83(112-90(121)63-116(4)100(127)129-65-69-32-16-7-17-33-69)40-25-27-54-101-86(117)41-24-11-26-55-104-98(125)107-74-44-42-73(43-45-74)94-81-52-50-79(110-81)92(71-36-20-9-21-37-71)77-48-46-75(108-77)91(70-34-18-8-19-35-70)76-47-49-78(109-76)93(72-38-22-10-23-39-72)80-51-53-82(94)111-80/h5-10,12-23,28-39,42-53,66,83-85,110-111H,11,24-27,40-41,54-65H2,1-4H3,(H,101,117)(H,102,118)(H,103,120)(H,105,123)(H,106,122)(H,112,121)(H,113,119)(H,114,124)(H2,104,107,125)/t83-,84-,85-/m0/s1"	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)NC(=O)CN(C)C(=O)OCc1ccccc1)C(=O)NCC(=O)NCCNC(=O)CN(C)C(=O)OCc1ccccc1	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(CCCCNC(=O)CCCCCNC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)NC(=O)CN(C)C(=O)OCc1ccccc1)C(=O)NCC(=O)NCCNC(=O)CN(C)C(=O)OCc1ccccc1	UTCVSEZWUIRJOG-GBDQAQDBSA-N	.							
PDC_01928	Tripeptide 113 - Tetraphenyl porphyrin (TPP) derivative conjugate	12	29	"InChI=1S/C81H80N12O10/c1-92(80(100)102-52-54-21-9-3-10-22-54)50-73(97)83-47-48-84-79(99)69(91-74(98)51-93(2)81(101)103-53-55-23-11-4-12-24-55)44-45-71(95)82-46-20-8-19-31-70(94)85-49-72(96)86-60-34-32-59(33-35-60)78-67-42-40-65(89-67)76(57-27-15-6-16-28-57)63-38-36-61(87-63)75(56-25-13-5-14-26-56)62-37-39-64(88-62)77(58-29-17-7-18-30-58)66-41-43-68(78)90-66/h3-7,9-18,21-30,32-43,69,89-90H,8,19-20,31,44-53H2,1-2H3,(H,82,95)(H,83,97)(H,84,99)(H,85,94)(H,86,96)(H,91,98)/t69-/m0/s1"	CN(CC(=O)NCCNC(=O)[C@H](CCC(=O)NCCCCCC(=O)NCC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)NC(=O)CN(C)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1	CN(CC(=O)NCCNC(=O)C(CCC(=O)NCCCCCC(=O)NCC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)NC(=O)CN(C)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1	LDXVVPGKIHZULM-FTTSIFSKSA-N	.							
PDC_01929	Tripeptide 114 - Tetraphenyl porphyrin (TPP) derivative conjugate	11	29	"InChI=1S/C81H82N12O9/c1-92(80(99)101-53-55-23-9-3-10-24-55)51-72(95)83-49-50-84-78(97)70(91-73(96)52-93(2)81(100)102-54-56-25-11-4-12-26-56)33-20-22-47-82-71(94)34-19-8-21-48-85-79(98)86-61-37-35-60(36-38-61)77-68-45-43-66(89-68)75(58-29-15-6-16-30-58)64-41-39-62(87-64)74(57-27-13-5-14-28-57)63-40-42-65(88-63)76(59-31-17-7-18-32-59)67-44-46-69(77)90-67/h3-7,9-18,23-32,35-46,70,89-90H,8,19-22,33-34,47-54H2,1-2H3,(H,82,94)(H,83,95)(H,84,97)(H,91,96)(H2,85,86,98)/t70-/m0/s1"	CN(CC(=O)NCCNC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)NC(=O)CN(C)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1	CN(CC(=O)NCCNC(=O)C(CCCCNC(=O)CCCCCNC(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1)NC(=O)CN(C)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1	PTMJKVZHEYDXFE-YOCANWPGSA-N	.							
PDC_01930	XHWSYKLRPG - Doxorubicin conjugate	29	47	"InChI=1S/C95H121N19O26/c1-48(2)35-61(87(129)107-60(19-13-31-101-94(97)98)93(135)114-34-14-20-66(114)92(134)103-44-71(96)118)108-85(127)58(106-88(130)62(36-50-24-26-53(116)27-25-50)109-91(133)65(45-115)112-89(131)63(37-51-42-102-57-17-6-5-15-54(51)57)110-90(132)64(38-52-43-99-47-104-52)111-86(128)59-28-29-73(120)105-59)18-7-8-30-100-72(119)22-12-23-74(121)138-46-70(117)95(136)40-56-77(69(41-95)140-75-39-67(80(122)49(3)139-75)113-32-9-10-33-113)84(126)79-78(82(56)124)81(123)55-16-11-21-68(137-4)76(55)83(79)125/h5-6,9,11,15-17,21,24-27,32,42-43,47-49,58-67,69,75,80,102,115-116,122,124,126,136H,7-8,10,12-14,18-20,22-23,28-31,33-41,44-46H2,1-4H3,(H2,96,118)(H,99,104)(H,100,119)(H,103,134)(H,105,120)(H,106,130)(H,107,129)(H,108,127)(H,109,133)(H,110,132)(H,111,128)(H,112,131)(H4,97,98,101)/t49-,58+,59-,60-,61-,62-,63-,64-,65-,66-,67-,69-,75-,80+,95-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)CCCC(=O)NCCCC[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O)C[C@@H]3O[C@H]1C[C@H](N2C=CCC2)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)COC(=O)CCCC(=O)NCCCCC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCC(=O)N1)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NCC(N)=O)CC3OC1CC(N2C=CCC2)C(O)C(C)O1	OIUSKDFJNIKIQX-OACKXKLTSA-N	.							
PDC_01931	GCMGAPC - Geranylgeraniol conjugate	14	42	"InChI=1S/C60H103N7O11S3/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-33-53(70)81-42-48(64-52(69)40-62-59(76)78-60(7,8)9)55(72)65-47(35-37-79-11)54(71)61-39-51(68)63-46(6)57(74)67-36-27-32-50(67)56(73)66-49(58(75)77-10)41-80-38-34-45(5)31-26-30-44(4)29-25-28-43(2)3/h28,30,34,46-50H,12-27,29,31-33,35-42H2,1-11H3,(H,61,71)(H,62,76)(H,63,68)(H,64,69)(H,65,72)(H,66,73)/b44-30+,45-34+/t46-,47-,48-,49-,50-/m0/s1"	CCCCCCCCCCCCCCCC(=O)SC[C@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CSC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(=O)OC	CCCCCCCCCCCCCCCC(=O)SCC(NC(=O)CNC(=O)OC(C)(C)C)C(=O)NC(CCSC)C(=O)NCC(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CSCC=C(C)CCC=C(C)CCC=C(C)C)C(=O)OC	MGNUSSITJJSXKA-MBEANKBRSA-N	.							
PDC_01932	GCFGLPC - Geranylgeraniol conjugate	13	43	"InChI=1S/C67H109N7O11S2/c1-12-13-14-15-16-17-18-19-20-21-22-23-27-38-60(77)87-47-55(71-59(76)45-69-66(83)85-67(8,9)10)62(79)72-53(43-52-35-25-24-26-36-52)61(78)68-44-58(75)70-54(42-49(4)5)64(81)74-40-30-37-57(74)63(80)73-56(65(82)84-11)46-86-41-39-51(7)34-29-33-50(6)32-28-31-48(2)3/h24-26,31,33,35-36,39,49,53-57H,12-23,27-30,32,34,37-38,40-47H2,1-11H3,(H,68,78)(H,69,83)(H,70,75)(H,71,76)(H,72,79)(H,73,80)/b50-33+,51-39+/t53-,54-,55-,56-,57-/m0/s1"	CCCCCCCCCCCCCCCC(=O)SC[C@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CSC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(=O)OC	CCCCCCCCCCCCCCCC(=O)SCC(NC(=O)CNC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(=O)NCC(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC(CSCC=C(C)CCC=C(C)CCC=C(C)C)C(=O)OC	BILIFRPCUIOWMK-OWLIHVMNSA-N	.							
PDC_01933	GCAGLPC - Geranylgeraniol conjugate	13	41	"InChI=1S/C61H105N7O11S2/c1-13-14-15-16-17-18-19-20-21-22-23-24-25-34-54(71)81-42-49(66-53(70)40-63-60(77)79-61(9,10)11)56(73)64-47(8)55(72)62-39-52(69)65-48(38-44(4)5)58(75)68-36-28-33-51(68)57(74)67-50(59(76)78-12)41-80-37-35-46(7)32-27-31-45(6)30-26-29-43(2)3/h29,31,35,44,47-51H,13-28,30,32-34,36-42H2,1-12H3,(H,62,72)(H,63,77)(H,64,73)(H,65,69)(H,66,70)(H,67,74)/b45-31+,46-35+/t47-,48-,49-,50-,51-/m0/s1"	CCCCCCCCCCCCCCCC(=O)SC[C@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CSC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(=O)OC	CCCCCCCCCCCCCCCC(=O)SCC(NC(=O)CNC(=O)OC(C)(C)C)C(=O)NC(C)C(=O)NCC(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC(CSCC=C(C)CCC=C(C)CCC=C(C)C)C(=O)OC	CKHUXRULJAWPAD-XVWBECTJSA-N	.							
PDC_01934	GCFGLP - Palmitic acid conjugate 1	10	31	"InChI=1S/C48H78N6O10S/c1-7-8-9-10-11-12-13-14-15-16-17-18-22-27-42(57)65-33-38(52-41(56)32-50-47(63)64-48(4,5)6)44(59)53-36(30-35-24-20-19-21-25-35)43(58)49-31-40(55)51-37(29-34(2)3)45(60)54-28-23-26-39(54)46(61)62/h19-21,24-25,34,36-39H,7-18,22-23,26-33H2,1-6H3,(H,49,58)(H,50,63)(H,51,55)(H,52,56)(H,53,59)(H,61,62)/t36-,37-,38-,39-/m0/s1"	CCCCCCCCCCCCCCCC(=O)SC[C@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)O	CCCCCCCCCCCCCCCC(=O)SCC(NC(=O)CNC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(=O)NCC(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)O	KGRZUNCSKWUKMN-GTKRZRNESA-N	.							
PDC_01936	GCFGLP - Palmitic acid conjugate	11	33	"InChI=1S/C51H82N6O10S/c1-8-10-11-12-13-14-15-16-17-18-19-20-24-29-45(60)68-36-41(55-44(59)35-53-50(65)67-51(5,6)7)47(62)56-39(33-38-26-22-21-23-27-38)46(61)52-34-43(58)54-40(32-37(3)4)48(63)57-30-25-28-42(57)49(64)66-31-9-2/h9,21-23,26-27,37,39-42H,2,8,10-20,24-25,28-36H2,1,3-7H3,(H,52,61)(H,53,65)(H,54,58)(H,55,59)(H,56,62)/t39-,40-,41-,42-/m0/s1"	C=CCOC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSC(=O)CCCCCCCCCCCCCCC)NC(=O)CNC(=O)OC(C)(C)C	C=CCOC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C(CSC(=O)CCCCCCCCCCCCCCC)NC(=O)CNC(=O)OC(C)(C)C	USRWEFAKQKXWDV-IWWWZYECSA-N	.							
PDC_01937	GCAGLP - Palmitic acid conjugate	11	31	"InChI=1S/C45H78N6O10S/c1-9-11-12-13-14-15-16-17-18-19-20-21-22-25-39(54)62-31-35(50-38(53)30-47-44(59)61-45(6,7)8)41(56)48-33(5)40(55)46-29-37(52)49-34(28-32(3)4)42(57)51-26-23-24-36(51)43(58)60-27-10-2/h10,32-36H,2,9,11-31H2,1,3-8H3,(H,46,55)(H,47,59)(H,48,56)(H,49,52)(H,50,53)/t33-,34-,35-,36-/m0/s1"	C=CCOC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CSC(=O)CCCCCCCCCCCCCCC)NC(=O)CNC(=O)OC(C)(C)C	C=CCOC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)CNC(=O)C(C)NC(=O)C(CSC(=O)CCCCCCCCCCCCCCC)NC(=O)CNC(=O)OC(C)(C)C	VFZGOYIJZFOUGD-ZYADHFCISA-N	.							
PDC_01938	GCFGL - Palmitic acid conjugate 1	9	30	"InChI=1S/C43H71N5O9S/c1-7-8-9-10-11-12-13-14-15-16-17-18-22-25-38(51)58-30-35(47-37(50)29-45-42(56)57-43(4,5)6)40(53)48-33(27-32-23-20-19-21-24-32)39(52)44-28-36(49)46-34(41(54)55)26-31(2)3/h19-21,23-24,31,33-35H,7-18,22,25-30H2,1-6H3,(H,44,52)(H,45,56)(H,46,49)(H,47,50)(H,48,53)(H,54,55)/t33-,34-,35-/m0/s1"	CCCCCCCCCCCCCCCC(=O)SC[C@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O	CCCCCCCCCCCCCCCC(=O)SCC(NC(=O)CNC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(=O)NCC(=O)NC(CC(C)C)C(=O)O	BWKDZOPSWFWMCB-IMKBVMFZSA-N	.							
PDC_01939	GCAGL - Palmitic acid conjugate 1	9	28	"InChI=1S/C37H67N5O9S/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(45)52-25-29(42-31(44)24-39-36(50)51-37(5,6)7)34(47)40-27(4)33(46)38-23-30(43)41-28(35(48)49)22-26(2)3/h26-29H,8-25H2,1-7H3,(H,38,46)(H,39,50)(H,40,47)(H,41,43)(H,42,44)(H,48,49)/t27-,28-,29-/m0/s1"	CCCCCCCCCCCCCCCC(=O)SC[C@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O	CCCCCCCCCCCCCCCC(=O)SCC(NC(=O)CNC(=O)OC(C)(C)C)C(=O)NC(C)C(=O)NCC(=O)NC(CC(C)C)C(=O)O	PPODDUAOZSKUBP-AWCRTANDSA-N	.							
PDC_01940	GCMGA - Palmitic acid conjugate	11	31	"InChI=1S/C39H69N5O9S2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-34(47)55-28-31(43-33(46)27-41-38(51)53-39(4,5)6)36(49)44-30(23-25-54-7)35(48)40-26-32(45)42-29(3)37(50)52-24-9-2/h9,29-31H,2,8,10-28H2,1,3-7H3,(H,40,48)(H,41,51)(H,42,45)(H,43,46)(H,44,49)/t29-,30-,31-/m0/s1"	C=CCOC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](CSC(=O)CCCCCCCCCCCCCCC)NC(=O)CNC(=O)OC(C)(C)C	C=CCOC(=O)C(C)NC(=O)CNC(=O)C(CCSC)NC(=O)C(CSC(=O)CCCCCCCCCCCCCCC)NC(=O)CNC(=O)OC(C)(C)C	KVPIPWLAVUFTFN-CHQNGUEUSA-N	.							
PDC_01941	GCFGL - Palmitic acid conjugate	10	32	"InChI=1S/C46H75N5O9S/c1-8-10-11-12-13-14-15-16-17-18-19-20-24-27-41(54)61-33-38(50-40(53)32-48-45(58)60-46(5,6)7)43(56)51-36(30-35-25-22-21-23-26-35)42(55)47-31-39(52)49-37(29-34(3)4)44(57)59-28-9-2/h9,21-23,25-26,34,36-38H,2,8,10-20,24,27-33H2,1,3-7H3,(H,47,55)(H,48,58)(H,49,52)(H,50,53)(H,51,56)/t36-,37-,38-/m0/s1"	C=CCOC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSC(=O)CCCCCCCCCCCCCCC)NC(=O)CNC(=O)OC(C)(C)C	C=CCOC(=O)C(CC(C)C)NC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C(CSC(=O)CCCCCCCCCCCCCCC)NC(=O)CNC(=O)OC(C)(C)C	XZPMSQBWNSXSIU-QXUSSCGESA-N	.							
PDC_01942	GCAGL - Palmitic acid conjugate	10	30	"InChI=1S/C40H71N5O9S/c1-9-11-12-13-14-15-16-17-18-19-20-21-22-23-35(48)55-28-32(45-34(47)27-42-39(52)54-40(6,7)8)37(50)43-30(5)36(49)41-26-33(46)44-31(25-29(3)4)38(51)53-24-10-2/h10,29-32H,2,9,11-28H2,1,3-8H3,(H,41,49)(H,42,52)(H,43,50)(H,44,46)(H,45,47)/t30-,31-,32-/m0/s1"	C=CCOC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CSC(=O)CCCCCCCCCCCCCCC)NC(=O)CNC(=O)OC(C)(C)C	C=CCOC(=O)C(CC(C)C)NC(=O)CNC(=O)C(C)NC(=O)C(CSC(=O)CCCCCCCCCCCCCCC)NC(=O)CNC(=O)OC(C)(C)C	BEMDCPUESIINHD-CPCREDONSA-N	.							
PDC_01943	GCMGLP - Palmitic acid conjugate 1	11	32	"InChI=1S/C44H78N6O10S2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-23-38(53)62-30-34(48-37(52)29-46-43(59)60-44(4,5)6)40(55)49-32(24-26-61-7)39(54)45-28-36(51)47-33(27-31(2)3)41(56)50-25-21-22-35(50)42(57)58/h31-35H,8-30H2,1-7H3,(H,45,54)(H,46,59)(H,47,51)(H,48,52)(H,49,55)(H,57,58)/t32-,33-,34-,35-/m0/s1"	CCCCCCCCCCCCCCCC(=O)SC[C@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)O	CCCCCCCCCCCCCCCC(=O)SCC(NC(=O)CNC(=O)OC(C)(C)C)C(=O)NC(CCSC)C(=O)NCC(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)O	SCBLPYPHDFWVFJ-BBACVFHCSA-N	.							
PDC_01944	GCMGLP - Palmitic acid conjugate	12	34	"InChI=1S/C47H82N6O10S2/c1-9-11-12-13-14-15-16-17-18-19-20-21-22-25-41(56)65-33-37(51-40(55)32-49-46(61)63-47(5,6)7)43(58)52-35(26-29-64-8)42(57)48-31-39(54)50-36(30-34(3)4)44(59)53-27-23-24-38(53)45(60)62-28-10-2/h10,34-38H,2,9,11-33H2,1,3-8H3,(H,48,57)(H,49,61)(H,50,54)(H,51,55)(H,52,58)/t35-,36-,37-,38-/m0/s1"	C=CCOC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](CSC(=O)CCCCCCCCCCCCCCC)NC(=O)CNC(=O)OC(C)(C)C	C=CCOC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)CNC(=O)C(CCSC)NC(=O)C(CSC(=O)CCCCCCCCCCCCCCC)NC(=O)CNC(=O)OC(C)(C)C	SPNADPWXJBOJDM-ZQWQDMLBSA-N	.							
PDC_01945	GCMGL - Palmitic acid conjugate 1	11	33	"InChI=1S/C42H75N5O9S2/c1-9-11-12-13-14-15-16-17-18-19-20-21-22-23-37(50)58-30-34(46-36(49)29-44-41(54)56-42(5,6)7)39(52)47-32(24-26-57-8)38(51)43-28-35(48)45-33(27-31(3)4)40(53)55-25-10-2/h10,31-34H,2,9,11-30H2,1,3-8H3,(H,43,51)(H,44,54)(H,45,48)(H,46,49)(H,47,52)/t32-,33-,34-/m0/s1"	C=CCOC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](CSC(=O)CCCCCCCCCCCCCCC)NC(=O)CNC(=O)OC(C)(C)C	C=CCOC(=O)C(CC(C)C)NC(=O)CNC(=O)C(CCSC)NC(=O)C(CSC(=O)CCCCCCCCCCCCCCC)NC(=O)CNC(=O)OC(C)(C)C	OPUWPLMSMRHTCS-AFEGWXKPSA-N	.							
PDC_01946	GCMGLPC - Geranylgeraniol conjugate	14	44	"InChI=1S/C63H109N7O11S3/c1-13-14-15-16-17-18-19-20-21-22-23-24-25-34-56(73)84-44-51(67-55(72)42-65-62(79)81-63(8,9)10)58(75)68-49(36-38-82-12)57(74)64-41-54(71)66-50(40-46(4)5)60(77)70-37-28-33-53(70)59(76)69-52(61(78)80-11)43-83-39-35-48(7)32-27-31-47(6)30-26-29-45(2)3/h29,31,35,46,49-53H,13-28,30,32-34,36-44H2,1-12H3,(H,64,74)(H,65,79)(H,66,71)(H,67,72)(H,68,75)(H,69,76)/b47-31+,48-35+/t49-,50-,51-,52-,53-/m0/s1"	CCCCCCCCCCCCCCCC(=O)SC[C@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CSC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(=O)OC	CCCCCCCCCCCCCCCC(=O)SCC(NC(=O)CNC(=O)OC(C)(C)C)C(=O)NC(CCSC)C(=O)NCC(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC(CSCC=C(C)CCC=C(C)CCC=C(C)C)C(=O)OC	OVRIJHNNHIPFKJ-AFBLVSNDSA-N	.							
PDC_01947	GCMGL - Palmitic acid conjugate	10	31	"InChI=1S/C39H71N5O9S2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-34(47)55-27-31(43-33(46)26-41-38(52)53-39(4,5)6)36(49)44-29(22-23-54-7)35(48)40-25-32(45)42-30(37(50)51)24-28(2)3/h28-31H,8-27H2,1-7H3,(H,40,48)(H,41,52)(H,42,45)(H,43,46)(H,44,49)(H,50,51)/t29-,30-,31-/m0/s1"	CCCCCCCCCCCCCCCC(=O)SC[C@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O	CCCCCCCCCCCCCCCC(=O)SCC(NC(=O)CNC(=O)OC(C)(C)C)C(=O)NC(CCSC)C(=O)NCC(=O)NC(CC(C)C)C(=O)O	VHUUKAJWCOHBSI-CHQNGUEUSA-N	.							
PDC_01948	GGCPC - Palmitic acid conjugate	11	38	"InChI=1S/C57H97N5O9S2/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-35-52(65)73-42-47(60-51(64)40-58-50(63)39-59-56(69)71-57(7,8)9)54(67)62-37-27-34-49(62)53(66)61-48(55(68)70-10)41-72-38-36-46(6)33-26-32-45(5)31-25-30-44(4)29-24-28-43(2)3/h28,30,32,36,47-49H,11-27,29,31,33-35,37-42H2,1-10H3,(H,58,63)(H,59,69)(H,60,64)(H,61,66)/b44-30+,45-32+,46-36+/t47-,48-,49-/m0/s1"	CCCCCCCCCCCCCCCC(=O)SC[C@H](NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CSC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(=O)OC	CCCCCCCCCCCCCCCC(=O)SCC(NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)C(=O)N1CCCC1C(=O)NC(CSCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C(=O)OC	WJXRKMDADHVRFM-MYCHIGMESA-N	.							
PDC_01949	Tetrapeptide 58 - Palmitic acid conjugate	8	23	"InChI=1S/C33H58N4O8S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-29(40)46-24-25(30(41)37-21-18-19-26(37)31(42)43)36-28(39)23-34-27(38)22-35-32(44)45-33(2,3)4/h25-26H,5-24H2,1-4H3,(H,34,38)(H,35,44)(H,36,39)(H,42,43)/t25-,26-/m0/s1"	CCCCCCCCCCCCCCCC(=O)SC[C@H](NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O	CCCCCCCCCCCCCCCC(=O)SCC(NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)C(=O)N1CCCC1C(=O)O	UUUQVPWGEROXHH-UIOOFZCWSA-N	.							
PDC_01950	Tripeptide 115 - Palmitic acid conjugate	8	24	"InChI=1S/C31H55N3O7S/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-28(37)42-24-25(29(38)40-21-7-2)34-27(36)23-32-26(35)22-33-30(39)41-31(3,4)5/h7,25H,2,6,8-24H2,1,3-5H3,(H,32,35)(H,33,39)(H,34,36)/t25-/m0/s1"	C=CCOC(=O)[C@H](CSC(=O)CCCCCCCCCCCCCCC)NC(=O)CNC(=O)CNC(=O)OC(C)(C)C	C=CCOC(=O)C(CSC(=O)CCCCCCCCCCCCCCC)NC(=O)CNC(=O)CNC(=O)OC(C)(C)C	UQJGUOOGWVMZTF-VWLOTQADSA-N	.							
PDC_01951	DGDXG - Methyl 3-(aminocarbonyl)-5-nitrobenzoate conjugate	10	4	"InChI=1S/C28H40N6O9/c1-27(2,3)42-22(37)10-18-25(40)30-12-15-7-16(9-17(29)8-15)24(39)31-13-20(35)34-19(11-23(38)43-28(4,5)6)26(41)32-14-21(36)33-18/h7-9,18-19H,10-14,29H2,1-6H3,(H,30,40)(H,31,39)(H,32,41)(H,33,36)(H,34,35)/t18-,19-/m0/s1"	CC(C)(C)OC(=O)C[C@@H]1NC(=O)CNC(=O)c2cc(N)cc(c2)CNC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)CNC1=O	CC(C)(C)OC(=O)CC1NC(=O)CNC(=O)c2cc(N)cc(c2)CNC(=O)C(CC(=O)OC(C)(C)C)NC(=O)CNC1=O	MXVGIPHKXBMWPU-OALUTQOASA-N	.							
PDC_01952	"DGEXG - 25,26,27,28-tetrabutoxy-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-5,11,17,23-tetracarboxylic acid conjugate 1"	44	40	"InChI=1S/C160H208N24O44/c1-29-33-37-217-133-89-49-91-55-102(142(206)174-106-46-86-42-98(62-106)138(202)166-78-118(186)182-114(70-130(198)226-158(20,21)22)150(214)170-82-122(190)178-110(146(210)162-74-86)66-126(194)222-154(8,9)10)57-93(134(91)218-38-34-30-2)51-95-59-104(144(208)176-108-48-88-44-100(64-108)140(204)168-80-120(188)184-116(72-132(200)228-160(26,27)28)152(216)172-84-124(192)180-112(148(212)164-76-88)68-128(196)224-156(14,15)16)60-96(136(95)220-40-36-32-4)52-94-58-103(143(207)175-107-47-87-43-99(63-107)139(203)167-79-119(187)183-115(71-131(199)227-159(23,24)25)151(215)171-83-123(191)179-111(147(211)163-75-87)67-127(195)223-155(11,12)13)56-92(135(94)219-39-35-31-3)50-90(133)54-101(53-89)141(205)173-105-45-85-41-97(61-105)137(201)165-77-117(185)181-113(69-129(197)225-157(17,18)19)149(213)169-81-121(189)177-109(145(209)161-73-85)65-125(193)221-153(5,6)7/h41-48,53-64,109-116H,29-40,49-52,65-84H2,1-28H3,(H,161,209)(H,162,210)(H,163,211)(H,164,212)(H,165,201)(H,166,202)(H,167,203)(H,168,204)(H,169,213)(H,170,214)(H,171,215)(H,172,216)(H,173,205)(H,174,206)(H,175,207)(H,176,208)(H,177,189)(H,178,190)(H,179,191)(H,180,192)(H,181,185)(H,182,186)(H,183,187)(H,184,188)/t109-,110-,111-,112-,113-,114-,115-,116-/m0/s1"	CCCCOc1c2cc(C(=O)Nc3cc4cc(c3)C(=O)NCC(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)NC4)cc1Cc1cc(C(=O)Nc3cc4cc(c3)C(=O)NCC(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)NC4)cc(c1OCCCC)Cc1cc(C(=O)Nc3cc4cc(c3)C(=O)NCC(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)NC4)cc(c1OCCCC)Cc1cc(C(=O)Nc3cc4cc(c3)C(=O)NCC(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)NC4)cc(c1OCCCC)C2	CCCCOc1c2cc(C(=O)Nc3cc4cc(c3)C(=O)NCC(=O)NC(CC(=O)OC(C)(C)C)C(=O)NCC(=O)NC(CC(=O)OC(C)(C)C)C(=O)NC4)cc1Cc1cc(C(=O)Nc3cc4cc(c3)C(=O)NCC(=O)NC(CC(=O)OC(C)(C)C)C(=O)NCC(=O)NC(CC(=O)OC(C)(C)C)C(=O)NC4)cc(c1OCCCC)Cc1cc(C(=O)Nc3cc4cc(c3)C(=O)NCC(=O)NC(CC(=O)OC(C)(C)C)C(=O)NCC(=O)NC(CC(=O)OC(C)(C)C)C(=O)NC4)cc(c1OCCCC)Cc1cc(C(=O)Nc3cc4cc(c3)C(=O)NCC(=O)NC(CC(=O)OC(C)(C)C)C(=O)NCC(=O)NC(CC(=O)OC(C)(C)C)C(=O)NC4)cc(c1OCCCC)C2	ONNTZZSBZBSSDQ-JXLIPFAKSA-N	.							
PDC_01953	DGEXG - Methyl 3-(aminocarbonyl)-5-nitrobenzoate conjugate	9	5	"InChI=1S/C20H22N6O11/c27-14-7-22-18(33)10-1-9(2-11(3-10)26(36)37)6-21-19(34)12(4-16(29)30)24-15(28)8-23-20(35)13(25-14)5-17(31)32/h1-3,12-13H,4-8H2,(H,21,34)(H,22,33)(H,23,35)(H,24,28)(H,25,27)(H,29,30)(H,31,32)/t12-,13-/m0/s1"	O=C(O)C[C@@H]1NC(=O)CNC(=O)c2cc(cc([N+](=O)[O-])c2)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O	O=C(O)CC1NC(=O)CNC(=O)c2cc(cc([N+](=O)[O-])c2)CNC(=O)C(CC(=O)O)NC(=O)CNC1=O	PBMDQPZGDTXWMZ-STQMWFEESA-N	.							
PDC_01954	"DGEXG - 25,26,27,28-tetrabutoxy-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-5,11,17,23-tetracarboxylic acid conjugate 2"	36	40	"InChI=1S/C128H144N24O44/c1-5-9-13-193-109-65-25-67-31-78(118(182)142-82-22-62-18-74(38-82)114(178)134-54-94(154)150-90(46-106(171)172)126(190)138-58-98(158)146-86(42-102(163)164)122(186)130-50-62)33-69(110(67)194-14-10-6-2)27-71-35-80(120(184)144-84-24-64-20-76(40-84)116(180)136-56-96(156)152-92(48-108(175)176)128(192)140-60-100(160)148-88(44-104(167)168)124(188)132-52-64)36-72(112(71)196-16-12-8-4)28-70-34-79(119(183)143-83-23-63-19-75(39-83)115(179)135-55-95(155)151-91(47-107(173)174)127(191)139-59-99(159)147-87(43-103(165)166)123(187)131-51-63)32-68(111(70)195-15-11-7-3)26-66(109)30-77(29-65)117(181)141-81-21-61-17-73(37-81)113(177)133-53-93(153)149-89(45-105(169)170)125(189)137-57-97(157)145-85(41-101(161)162)121(185)129-49-61/h17-24,29-40,85-92H,5-16,25-28,41-60H2,1-4H3,(H,129,185)(H,130,186)(H,131,187)(H,132,188)(H,133,177)(H,134,178)(H,135,179)(H,136,180)(H,137,189)(H,138,190)(H,139,191)(H,140,192)(H,141,181)(H,142,182)(H,143,183)(H,144,184)(H,145,157)(H,146,158)(H,147,159)(H,148,160)(H,149,153)(H,150,154)(H,151,155)(H,152,156)(H,161,162)(H,163,164)(H,165,166)(H,167,168)(H,169,170)(H,171,172)(H,173,174)(H,175,176)/t85-,86-,87-,88-,89-,90-,91-,92-/m0/s1"	CCCCOc1c2cc(C(=O)Nc3cc4cc(c3)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NC4)cc1Cc1cc(C(=O)Nc3cc4cc(c3)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NC4)cc(c1OCCCC)Cc1cc(C(=O)Nc3cc4cc(c3)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NC4)cc(c1OCCCC)Cc1cc(C(=O)Nc3cc4cc(c3)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NC4)cc(c1OCCCC)C2	CCCCOc1c2cc(C(=O)Nc3cc4cc(c3)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC4)cc1Cc1cc(C(=O)Nc3cc4cc(c3)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC4)cc(c1OCCCC)Cc1cc(C(=O)Nc3cc4cc(c3)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC4)cc(c1OCCCC)Cc1cc(C(=O)Nc3cc4cc(c3)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC4)cc(c1OCCCC)C2	SRAUOARNDQDFIZ-UFIXMAKISA-N	.							
PDC_01955	Tripeptide 116 - 4-Carboxybenzenesulfonamide conjugate	7	9	"InChI=1S/C14H18N4O8S/c15-27(25,26)9-3-1-8(2-4-9)13(22)17-5-11(20)16-6-12(21)18-10(7-19)14(23)24/h1-4,10,19H,5-7H2,(H,16,20)(H,17,22)(H,18,21)(H,23,24)(H2,15,25,26)/t10-/m0/s1"	NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)O)cc1	NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)NC(CO)C(=O)O)cc1	AYSGQIAHAWESQC-JTQLQIEISA-N	.							
PDC_01956	Tetrapeptide 59 - 4-Carboxybenzenesulfonamide conjugate 1	7	12	"InChI=1S/C26H27N5O8S/c27-40(38,39)20-9-7-18(8-10-20)25(35)30-14-23(33)28-13-22(32)29-15-24(34)31-21(26(36)37)12-16-5-6-17-3-1-2-4-19(17)11-16/h1-11,21H,12-15H2,(H,28,33)(H,29,32)(H,30,35)(H,31,34)(H,36,37)(H2,27,38,39)/t21-/m0/s1"	NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)O)cc1	NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)NCC(=O)NC(Cc2ccc3ccccc3c2)C(=O)O)cc1	YDHRNGYLGUZGKL-NRFANRHFSA-N	.							
PDC_01957	Tetrapeptide 60 - 4-Carboxybenzenesulfonamide conjugate 1	7	12	"InChI=1S/C22H24ClN5O8S/c23-15-5-1-13(2-6-15)9-17(22(33)34)28-20(31)12-26-18(29)10-25-19(30)11-27-21(32)14-3-7-16(8-4-14)37(24,35)36/h1-8,17H,9-12H2,(H,25,30)(H,26,29)(H,27,32)(H,28,31)(H,33,34)(H2,24,35,36)/t17-/m0/s1"	NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)O)cc1	NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)NCC(=O)NC(Cc2ccc(Cl)cc2)C(=O)O)cc1	PEXYVORXTPKCDQ-KRWDZBQOSA-N	.							
PDC_01958	Tetrapeptide 60 - 4-Carboxybenzenesulfonamide conjugate 2	7	12	"InChI=1S/C22H24FN5O8S/c23-15-5-1-13(2-6-15)9-17(22(33)34)28-20(31)12-26-18(29)10-25-19(30)11-27-21(32)14-3-7-16(8-4-14)37(24,35)36/h1-8,17H,9-12H2,(H,25,30)(H,26,29)(H,27,32)(H,28,31)(H,33,34)(H2,24,35,36)/t17-/m0/s1"	NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)O)cc1	NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)NCC(=O)NC(Cc2ccc(F)cc2)C(=O)O)cc1	CKAHAJPSUBHIGD-KRWDZBQOSA-N	.							
PDC_01959	Tetrapeptide 60 - 4-Carboxybenzenesulfonamide conjugate 3	9	13	"InChI=1S/C22H24N6O10S/c23-39(37,38)16-7-3-14(4-8-16)21(32)26-11-19(30)24-10-18(29)25-12-20(31)27-17(22(33)34)9-13-1-5-15(6-2-13)28(35)36/h1-8,17H,9-12H2,(H,24,30)(H,25,29)(H,26,32)(H,27,31)(H,33,34)(H2,23,37,38)/t17-/m0/s1"	NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)O)cc1	NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)NCC(=O)NC(Cc2ccc([N+](=O)[O-])cc2)C(=O)O)cc1	PZVAJSJPFWXCKT-KRWDZBQOSA-N	.							
PDC_01960	Tetrapeptide 61 - 4-Carboxybenzenesulfonamide conjugate	8	13	"InChI=1S/C23H27N5O9S/c1-37-16-6-2-14(3-7-16)10-18(23(33)34)28-21(31)13-26-19(29)11-25-20(30)12-27-22(32)15-4-8-17(9-5-15)38(24,35)36/h2-9,18H,10-13H2,1H3,(H,25,30)(H,26,29)(H,27,32)(H,28,31)(H,33,34)(H2,24,35,36)/t18-/m0/s1"	COc1ccc(C[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)c2ccc(S(N)(=O)=O)cc2)C(=O)O)cc1	COc1ccc(CC(NC(=O)CNC(=O)CNC(=O)CNC(=O)c2ccc(S(N)(=O)=O)cc2)C(=O)O)cc1	YWNQESRTUFHQOF-SFHVURJKSA-N	.							
PDC_01961	Tetrapeptide 62 - 4-Carboxybenzenesulfonamide conjugate	7	13	"InChI=1S/C19H27N5O8S/c1-2-3-4-14(19(29)30)24-17(27)11-22-15(25)9-21-16(26)10-23-18(28)12-5-7-13(8-6-12)33(20,31)32/h5-8,14H,2-4,9-11H2,1H3,(H,21,26)(H,22,25)(H,23,28)(H,24,27)(H,29,30)(H2,20,31,32)/t14-/m0/s1"	CCCC[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O	CCCCC(NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O	FDSLQEJWWLSOPO-AWEZNQCLSA-N	.							
PDC_01962	Tetrapeptide 63 - 4-Carboxybenzenesulfonamide conjugate	7	12	"InChI=1S/C19H27N5O8S/c1-11(2)7-14(19(29)30)24-17(27)10-22-15(25)8-21-16(26)9-23-18(28)12-3-5-13(6-4-12)33(20,31)32/h3-6,11,14H,7-10H2,1-2H3,(H,21,26)(H,22,25)(H,23,28)(H,24,27)(H,29,30)(H2,20,31,32)/t14-/m0/s1"	CC(C)C[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O	CC(C)CC(NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O	UASNDIWBZJREDW-AWEZNQCLSA-N	.							
PDC_01963	Tetrapeptide 64 - 4-Carboxybenzenesulfonamide conjugate	7	12	"InChI=1S/C19H27N5O8S/c1-3-11(2)17(19(29)30)24-16(27)10-22-14(25)8-21-15(26)9-23-18(28)12-4-6-13(7-5-12)33(20,31)32/h4-7,11,17H,3,8-10H2,1-2H3,(H,21,26)(H,22,25)(H,23,28)(H,24,27)(H,29,30)(H2,20,31,32)/t11-,17-/m0/s1"	CC[C@H](C)[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O	CCC(C)C(NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O	FFNYZTPBVGQCJA-GTNSWQLSSA-N	.							
PDC_01964	Tetrapeptide 65 - 4-Carboxybenzenesulfonamide conjugate	8	13	"InChI=1S/C18H25N5O8S2/c1-32-7-6-13(18(28)29)23-16(26)10-21-14(24)8-20-15(25)9-22-17(27)11-2-4-12(5-3-11)33(19,30)31/h2-5,13H,6-10H2,1H3,(H,20,25)(H,21,24)(H,22,27)(H,23,26)(H,28,29)(H2,19,30,31)/t13-/m0/s1"	CSCC[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O	CSCCC(NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O	DXONCZREXSXETL-ZDUSSCGKSA-N	.							
PDC_01965	Tetrapeptide 66 - 4-Carboxybenzenesulfonamide conjugate 5	7	10	"InChI=1S/C19H27N5O8S/c1-19(2,3)16(18(29)30)24-15(27)10-22-13(25)8-21-14(26)9-23-17(28)11-4-6-12(7-5-11)33(20,31)32/h4-7,16H,8-10H2,1-3H3,(H,21,26)(H,22,25)(H,23,28)(H,24,27)(H,29,30)(H2,20,31,32)/t16-/m1/s1"	CC(C)(C)[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O	CC(C)(C)C(NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O	JJZXCKNADSFVHS-MRXNPFEDSA-N	.							
PDC_01966	Tetrapeptide 66 - 4-Carboxybenzenesulfonamide conjugate 6	7	11	"InChI=1S/C18H25N5O8S/c1-10(2)16(18(28)29)23-15(26)9-21-13(24)7-20-14(25)8-22-17(27)11-3-5-12(6-4-11)32(19,30)31/h3-6,10,16H,7-9H2,1-2H3,(H,20,25)(H,21,24)(H,22,27)(H,23,26)(H,28,29)(H2,19,30,31)/t16-/m0/s1"	CC(C)[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O	CC(C)C(NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O	UDSXLACJKUCCHB-INIZCTEOSA-N	.							
PDC_01967	Tetrapeptide 67 - 4-Carboxybenzenesulfonamide conjugate	7	9	"InChI=1S/C18H23N5O8S/c19-32(30,31)12-5-3-11(4-6-12)17(27)22-9-15(25)20-8-14(24)21-10-16(26)23-7-1-2-13(23)18(28)29/h3-6,13H,1-2,7-10H2,(H,20,25)(H,21,24)(H,22,27)(H,28,29)(H2,19,30,31)/t13-/m0/s1"	NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)NCC(=O)N2CCC[C@H]2C(=O)O)cc1	NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)NCC(=O)N2CCCC2C(=O)O)cc1	PDKJQGAUBCHXKG-ZDUSSCGKSA-N	.							
PDC_01968	Tetrapeptide 68 - 4-Carboxybenzenesulfonamide conjugate	8	14	"InChI=1S/C19H28N8O8S/c20-19(21)23-7-1-2-13(18(32)33)27-16(30)10-25-14(28)8-24-15(29)9-26-17(31)11-3-5-12(6-4-11)36(22,34)35/h3-6,13H,1-2,7-10H2,(H,24,29)(H,25,28)(H,26,31)(H,27,30)(H,32,33)(H4,20,21,23)(H2,22,34,35)/t13-/m0/s1"	N=C(N)NCCC[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O	N=C(N)NCCCC(NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O	GIZDXEMFHSLFAJ-ZDUSSCGKSA-N	.							
PDC_01969	Tetrapeptide 60 - 4-Carboxybenzenesulfonamide conjugate 4	8	12	"InChI=1S/C22H26N6O8S/c23-15-5-1-13(2-6-15)9-17(22(33)34)28-20(31)12-26-18(29)10-25-19(30)11-27-21(32)14-3-7-16(8-4-14)37(24,35)36/h1-8,17H,9-12,23H2,(H,25,30)(H,26,29)(H,27,32)(H,28,31)(H,33,34)(H2,24,35,36)/t17-/m0/s1"	Nc1ccc(C[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)c2ccc(S(N)(=O)=O)cc2)C(=O)O)cc1	Nc1ccc(CC(NC(=O)CNC(=O)CNC(=O)CNC(=O)c2ccc(S(N)(=O)=O)cc2)C(=O)O)cc1	VTJOZQNEBCZEMS-KRWDZBQOSA-N	.							
PDC_01970	Tetrapeptide 59 - 4-Carboxybenzenesulfonamide conjugate 2	7	10	"InChI=1S/C16H21N5O8S/c1-9(16(26)27)21-14(24)8-19-12(22)6-18-13(23)7-20-15(25)10-2-4-11(5-3-10)30(17,28)29/h2-5,9H,6-8H2,1H3,(H,18,23)(H,19,22)(H,20,25)(H,21,24)(H,26,27)(H2,17,28,29)/t9-/m0/s1"	C[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O	CC(NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O	RGAQFXQRGYEXKA-VIFPVBQESA-N	.							
PDC_01971	Tetrapeptide 69 - 4-Carboxybenzenesulfonamide conjugate	8	11	"InChI=1S/C17H23N5O9S/c1-9(23)15(17(28)29)22-14(26)8-20-12(24)6-19-13(25)7-21-16(27)10-2-4-11(5-3-10)32(18,30)31/h2-5,9,15,23H,6-8H2,1H3,(H,19,25)(H,20,24)(H,21,27)(H,22,26)(H,28,29)(H2,18,30,31)/t9-,15+/m1/s1"	C[C@@H](O)[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O	CC(O)C(NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O	GEIKPXQNWOWHFG-PSLIRLAXSA-N	.							
PDC_01972	Tetrapeptide 70 - 4-Carboxybenzenesulfonamide conjugate	8	11	"InChI=1S/C16H21N5O9S/c17-31(29,30)10-3-1-9(2-4-10)15(26)20-6-13(24)18-5-12(23)19-7-14(25)21-11(8-22)16(27)28/h1-4,11,22H,5-8H2,(H,18,24)(H,19,23)(H,20,26)(H,21,25)(H,27,28)(H2,17,29,30)/t11-/m0/s1"	NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)O)cc1	NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)NCC(=O)NC(CO)C(=O)O)cc1	RLBAQJYWRWPYRE-NSHDSACASA-N	.							
PDC_01973	Tetrapeptide 71 - 4-Carboxybenzenesulfonamide conjugate	8	13	"InChI=1S/C18H24N6O9S/c19-13(25)6-5-12(18(30)31)24-16(28)9-22-14(26)7-21-15(27)8-23-17(29)10-1-3-11(4-2-10)34(20,32)33/h1-4,12H,5-9H2,(H2,19,25)(H,21,27)(H,22,26)(H,23,29)(H,24,28)(H,30,31)(H2,20,32,33)/t12-/m0/s1"	NC(=O)CC[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O	NC(=O)CCC(NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O	TUAFFKJHCMDVLW-LBPRGKRZSA-N	.							
PDC_01974	Tetrapeptide 72 - 4-Carboxybenzenesulfonamide conjugate	8	12	"InChI=1S/C17H22N6O9S/c18-12(24)5-11(17(29)30)23-15(27)8-21-13(25)6-20-14(26)7-22-16(28)9-1-3-10(4-2-9)33(19,31)32/h1-4,11H,5-8H2,(H2,18,24)(H,20,26)(H,21,25)(H,22,28)(H,23,27)(H,29,30)(H2,19,31,32)/t11-/m0/s1"	NC(=O)C[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O	NC(=O)CC(NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O	OICJOVTUOUIYLX-NSHDSACASA-N	.							
PDC_01975	Tetrapeptide 73 - 4-Carboxybenzenesulfonamide conjugate	8	13	"InChI=1S/C18H23N5O10S/c19-34(32,33)11-3-1-10(2-4-11)17(29)22-8-14(25)20-7-13(24)21-9-15(26)23-12(18(30)31)5-6-16(27)28/h1-4,12H,5-9H2,(H,20,25)(H,21,24)(H,22,29)(H,23,26)(H,27,28)(H,30,31)(H2,19,32,33)/t12-/m0/s1"	NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1	NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)NCC(=O)NC(CCC(=O)O)C(=O)O)cc1	PQMDXUZJGHYQCV-LBPRGKRZSA-N	.							
PDC_01976	Tetrapeptide 74 - 4-Carboxybenzenesulfonamide conjugate	8	12	"InChI=1S/C17H21N5O10S/c18-33(31,32)10-3-1-9(2-4-10)16(28)21-7-13(24)19-6-12(23)20-8-14(25)22-11(17(29)30)5-15(26)27/h1-4,11H,5-8H2,(H,19,24)(H,20,23)(H,21,28)(H,22,25)(H,26,27)(H,29,30)(H2,18,31,32)/t11-/m0/s1"	NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)O)cc1	NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)NCC(=O)NC(CC(=O)O)C(=O)O)cc1	RCVGJGQUNGDRRJ-NSHDSACASA-N	.							
PDC_01977	Tripeptide 117 - 4-Carboxybenzenesulfonamide conjugate 1	6	10	"InChI=1S/C24H24N4O7S/c25-36(34,35)19-9-7-17(8-10-19)23(31)27-13-21(29)26-14-22(30)28-20(24(32)33)12-15-5-6-16-3-1-2-4-18(16)11-15/h1-11,20H,12-14H2,(H,26,29)(H,27,31)(H,28,30)(H,32,33)(H2,25,34,35)/t20-/m0/s1"	NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)O)cc1	NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)NC(Cc2ccc3ccccc3c2)C(=O)O)cc1	LVSPYTCBNXAPTH-FQEVSTJZSA-N	.							
PDC_01978	Tripeptide 118 - 4-Carboxybenzenesulfonamide conjugate 1	6	10	"InChI=1S/C20H21ClN4O7S/c21-14-5-1-12(2-6-14)9-16(20(29)30)25-18(27)11-23-17(26)10-24-19(28)13-3-7-15(8-4-13)33(22,31)32/h1-8,16H,9-11H2,(H,23,26)(H,24,28)(H,25,27)(H,29,30)(H2,22,31,32)/t16-/m0/s1"	NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)O)cc1	NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)NC(Cc2ccc(Cl)cc2)C(=O)O)cc1	HTDSXHKTRHYFMS-INIZCTEOSA-N	.							
PDC_01979	Tripeptide 118 - 4-Carboxybenzenesulfonamide conjugate 2	6	10	"InChI=1S/C20H21FN4O7S/c21-14-5-1-12(2-6-14)9-16(20(29)30)25-18(27)11-23-17(26)10-24-19(28)13-3-7-15(8-4-13)33(22,31)32/h1-8,16H,9-11H2,(H,23,26)(H,24,28)(H,25,27)(H,29,30)(H2,22,31,32)/t16-/m0/s1"	NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)O)cc1	NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)NC(Cc2ccc(F)cc2)C(=O)O)cc1	YYESFFIUUJFYIX-INIZCTEOSA-N	.							
PDC_01980	Tripeptide 118 - 4-Carboxybenzenesulfonamide conjugate 3	8	11	"InChI=1S/C20H21N5O9S/c21-35(33,34)15-7-3-13(4-8-15)19(28)23-10-17(26)22-11-18(27)24-16(20(29)30)9-12-1-5-14(6-2-12)25(31)32/h1-8,16H,9-11H2,(H,22,26)(H,23,28)(H,24,27)(H,29,30)(H2,21,33,34)/t16-/m0/s1"	NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)N[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)O)cc1	NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)NC(Cc2ccc([N+](=O)[O-])cc2)C(=O)O)cc1	QVIXUSPDCAVMQV-INIZCTEOSA-N	.							
PDC_01981	Tripeptide 119 - 4-Carboxybenzenesulfonamide conjugate	7	11	"InChI=1S/C21H24N4O8S/c1-33-15-6-2-13(3-7-15)10-17(21(29)30)25-19(27)12-23-18(26)11-24-20(28)14-4-8-16(9-5-14)34(22,31)32/h2-9,17H,10-12H2,1H3,(H,23,26)(H,24,28)(H,25,27)(H,29,30)(H2,22,31,32)/t17-/m0/s1"	COc1ccc(C[C@H](NC(=O)CNC(=O)CNC(=O)c2ccc(S(N)(=O)=O)cc2)C(=O)O)cc1	COc1ccc(CC(NC(=O)CNC(=O)CNC(=O)c2ccc(S(N)(=O)=O)cc2)C(=O)O)cc1	UYHRAFOSAFTLGY-KRWDZBQOSA-N	.							
PDC_01982	Tripeptide 118 - 4-Carboxybenzenesulfonamide conjugate 4	6	10	"InChI=1S/C20H22N4O7S/c21-32(30,31)15-8-6-14(7-9-15)19(27)23-11-17(25)22-12-18(26)24-16(20(28)29)10-13-4-2-1-3-5-13/h1-9,16H,10-12H2,(H,22,25)(H,23,27)(H,24,26)(H,28,29)(H2,21,30,31)/t16-/m0/s1"	NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1	NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)NC(Cc2ccccc2)C(=O)O)cc1	FHOZBYUNMRNVLS-INIZCTEOSA-N	.							
PDC_01983	Tripeptide 117 - 4-Carboxybenzenesulfonamide conjugate 2	6	11	"InChI=1S/C17H24N4O7S/c1-2-3-4-13(17(25)26)21-15(23)10-19-14(22)9-20-16(24)11-5-7-12(8-6-11)29(18,27)28/h5-8,13H,2-4,9-10H2,1H3,(H,19,22)(H,20,24)(H,21,23)(H,25,26)(H2,18,27,28)/t13-/m0/s1"	CCCC[C@H](NC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O	CCCCC(NC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O	DQYUKJWLDWVZHA-ZDUSSCGKSA-N	.							
PDC_01984	Tripeptide 120 - 4-Carboxybenzenesulfonamide conjugate	6	10	"InChI=1S/C17H24N4O7S/c1-10(2)7-13(17(25)26)21-15(23)9-19-14(22)8-20-16(24)11-3-5-12(6-4-11)29(18,27)28/h3-6,10,13H,7-9H2,1-2H3,(H,19,22)(H,20,24)(H,21,23)(H,25,26)(H2,18,27,28)/t13-/m0/s1"	CC(C)C[C@H](NC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O	CC(C)CC(NC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O	YHTKCPMSNMQTIG-ZDUSSCGKSA-N	.							
PDC_01985	Tripeptide 121 - 4-Carboxybenzenesulfonamide conjugate	6	10	"InChI=1S/C17H24N4O7S/c1-3-10(2)15(17(25)26)21-14(23)9-19-13(22)8-20-16(24)11-4-6-12(7-5-11)29(18,27)28/h4-7,10,15H,3,8-9H2,1-2H3,(H,19,22)(H,20,24)(H,21,23)(H,25,26)(H2,18,27,28)/t10-,15-/m0/s1"	CC[C@H](C)[C@H](NC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O	CCC(C)C(NC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O	KVNCCKZYIQXFGL-BONVTDFDSA-N	.							
PDC_01986	Tripeptide 122 - 4-Carboxybenzenesulfonamide conjugate	7	11	"InChI=1S/C16H22N4O7S2/c1-28-7-6-12(16(24)25)20-14(22)9-18-13(21)8-19-15(23)10-2-4-11(5-3-10)29(17,26)27/h2-5,12H,6-9H2,1H3,(H,18,21)(H,19,23)(H,20,22)(H,24,25)(H2,17,26,27)/t12-/m0/s1"	CSCC[C@H](NC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O	CSCCC(NC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O	FEFBBCLPXVYAPE-LBPRGKRZSA-N	.							
PDC_01987	Tripeptide 117 - 4-Carboxybenzenesulfonamide conjugate 3	6	8	"InChI=1S/C17H24N4O7S/c1-17(2,3)14(16(25)26)21-13(23)9-19-12(22)8-20-15(24)10-4-6-11(7-5-10)29(18,27)28/h4-7,14H,8-9H2,1-3H3,(H,19,22)(H,20,24)(H,21,23)(H,25,26)(H2,18,27,28)/t14-/m1/s1"	CC(C)(C)[C@H](NC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O	CC(C)(C)C(NC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O	NIHHRAHNHMRUJO-CQSZACIVSA-N	.							
PDC_01988	Tripeptide 123 - 4-Carboxybenzenesulfonamide conjugate	6	9	"InChI=1S/C16H22N4O7S/c1-9(2)14(16(24)25)20-13(22)8-18-12(21)7-19-15(23)10-3-5-11(6-4-10)28(17,26)27/h3-6,9,14H,7-8H2,1-2H3,(H,18,21)(H,19,23)(H,20,22)(H,24,25)(H2,17,26,27)/t14-/m0/s1"	CC(C)[C@H](NC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O	CC(C)C(NC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O	ZDXKZIJDPSJMLR-AWEZNQCLSA-N	.							
PDC_01989	Tripeptide 124 - 4-Carboxybenzenesulfonamide conjugate	6	7	"InChI=1S/C16H20N4O7S/c17-28(26,27)11-5-3-10(4-6-11)15(23)19-8-13(21)18-9-14(22)20-7-1-2-12(20)16(24)25/h3-6,12H,1-2,7-9H2,(H,18,21)(H,19,23)(H,24,25)(H2,17,26,27)/t12-/m0/s1"	NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)N2CCC[C@H]2C(=O)O)cc1	NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)N2CCCC2C(=O)O)cc1	GJFLDWMQUYYZHH-LBPRGKRZSA-N	.							
PDC_01990	Tripeptide 125 - 4-Carboxybenzenesulfonamide conjugate	7	12	"InChI=1S/C17H25N7O7S/c18-17(19)21-7-1-2-12(16(28)29)24-14(26)9-22-13(25)8-23-15(27)10-3-5-11(6-4-10)32(20,30)31/h3-6,12H,1-2,7-9H2,(H,22,25)(H,23,27)(H,24,26)(H,28,29)(H4,18,19,21)(H2,20,30,31)/t12-/m0/s1"	N=C(N)NCCC[C@H](NC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O	N=C(N)NCCCC(NC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O	TUJWMXQEISUVJO-LBPRGKRZSA-N	.							
PDC_01991	Tripeptide 118 - 4-Carboxybenzenesulfonamide conjugate 5	7	10	"InChI=1S/C20H23N5O7S/c21-14-5-1-12(2-6-14)9-16(20(29)30)25-18(27)11-23-17(26)10-24-19(28)13-3-7-15(8-4-13)33(22,31)32/h1-8,16H,9-11,21H2,(H,23,26)(H,24,28)(H,25,27)(H,29,30)(H2,22,31,32)/t16-/m0/s1"	Nc1ccc(C[C@H](NC(=O)CNC(=O)CNC(=O)c2ccc(S(N)(=O)=O)cc2)C(=O)O)cc1	Nc1ccc(CC(NC(=O)CNC(=O)CNC(=O)c2ccc(S(N)(=O)=O)cc2)C(=O)O)cc1	OKXPPAQBIGLBLF-INIZCTEOSA-N	.							
PDC_01992	Tripeptide 126 - 4-Carboxybenzenesulfonamide conjugate	6	8	"InChI=1S/C14H18N4O7S/c1-8(14(22)23)18-12(20)7-16-11(19)6-17-13(21)9-2-4-10(5-3-9)26(15,24)25/h2-5,8H,6-7H2,1H3,(H,16,19)(H,17,21)(H,18,20)(H,22,23)(H2,15,24,25)/t8-/m0/s1"	C[C@H](NC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O	CC(NC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O	JQNGVMLNCIKRNG-QMMMGPOBSA-N	.							
PDC_01993	Tripeptide 127 - 4-Carboxybenzenesulfonamide conjugate	7	9	"InChI=1S/C15H20N4O8S/c1-8(20)13(15(24)25)19-12(22)7-17-11(21)6-18-14(23)9-2-4-10(5-3-9)28(16,26)27/h2-5,8,13,20H,6-7H2,1H3,(H,17,21)(H,18,23)(H,19,22)(H,24,25)(H2,16,26,27)/t8-,13+/m1/s1"	C[C@@H](O)[C@H](NC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O	CC(O)C(NC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O	LEAXFLBWBNRFEJ-OQPBUACISA-N	.							
PDC_01994	Tripeptide 128 - 4-Carboxybenzenesulfonamide conjugate	7	11	"InChI=1S/C16H21N5O8S/c17-12(22)6-5-11(16(26)27)21-14(24)8-19-13(23)7-20-15(25)9-1-3-10(4-2-9)30(18,28)29/h1-4,11H,5-8H2,(H2,17,22)(H,19,23)(H,20,25)(H,21,24)(H,26,27)(H2,18,28,29)/t11-/m0/s1"	NC(=O)CC[C@H](NC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O	NC(=O)CCC(NC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O	YILAPALGTPXACY-NSHDSACASA-N	.							
PDC_01995	Tripeptide 129 - 4-Carboxybenzenesulfonamide conjugate	7	10	"InChI=1S/C15H19N5O8S/c16-11(21)5-10(15(25)26)20-13(23)7-18-12(22)6-19-14(24)8-1-3-9(4-2-8)29(17,27)28/h1-4,10H,5-7H2,(H2,16,21)(H,18,22)(H,19,24)(H,20,23)(H,25,26)(H2,17,27,28)/t10-/m0/s1"	NC(=O)C[C@H](NC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O	NC(=O)CC(NC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O	XKYOFRRMTGCELA-JTQLQIEISA-N	.							
PDC_01996	Tripeptide 130 - 4-Carboxybenzenesulfonamide conjugate	7	11	"InChI=1S/C16H20N4O9S/c17-30(28,29)10-3-1-9(2-4-10)15(25)19-7-12(21)18-8-13(22)20-11(16(26)27)5-6-14(23)24/h1-4,11H,5-8H2,(H,18,21)(H,19,25)(H,20,22)(H,23,24)(H,26,27)(H2,17,28,29)/t11-/m0/s1"	NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1	NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)NC(CCC(=O)O)C(=O)O)cc1	DARUJPOMBKSIIU-NSHDSACASA-N	.							
PDC_01997	Tripeptide 131 - 4-Carboxybenzenesulfonamide conjugate	7	10	"InChI=1S/C15H18N4O9S/c16-29(27,28)9-3-1-8(2-4-9)14(24)18-6-11(20)17-7-12(21)19-10(15(25)26)5-13(22)23/h1-4,10H,5-7H2,(H,17,20)(H,18,24)(H,19,21)(H,22,23)(H,25,26)(H2,16,27,28)/t10-/m0/s1"	NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)O)cc1	NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)NC(CC(=O)O)C(=O)O)cc1	JZOYXPSJRIVURS-JTQLQIEISA-N	.							
PDC_01998	Tetrapeptide 53 - Doxorubicin conjugate	16	20	"InChI=1S/C61H61N5O15/c1-34-54(72)41(27-49(80-34)81-44-29-60(78,45(68)33-67)28-40-51(44)58(76)53-52(56(40)74)55(73)39-24-15-25-43(79-2)50(39)57(53)75)65-48(71)31-63-59(77)42(26-35-16-7-3-8-17-35)66-47(70)30-62-46(69)32-64-61(36-18-9-4-10-19-36,37-20-11-5-12-21-37)38-22-13-6-14-23-38/h3-25,34,41-42,44,49,54,64,67,72,74,76,78H,26-33H2,1-2H3,(H,62,69)(H,63,77)(H,65,71)(H,66,70)/t34-,41-,42-,44-,49-,54+,60-/m0/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)CNC(c2ccccc2)(c2ccccc2)c2ccccc2)C(O)C(C)O1	DYFUDFZVXMLAKT-YJNYSUJFSA-N	.							
PDC_01999	Tuftsin - &Beta;-N-Acetylglucosamine conjugate 2	23	37	"InChI=1S/C53H91N13O23/c1-24(59-45(79)26(3)86-41(32(21-67)60-27(4)71)42(34(73)22-68)88-50-38(61-28(5)72)40(76)39(75)35(23-69)87-50)44(78)62-29(43(54)77)16-17-36(74)65-37(25(2)70)47(81)63-30(13-9-10-18-58-52(85)89-53(6,7)8)48(82)66-20-12-15-33(66)46(80)64-31(49(83)84)14-11-19-57-51(55)56/h21,24-26,29-35,37-42,50,68-70,73,75-76H,9-20,22-23H2,1-8H3,(H2,54,77)(H,58,85)(H,59,79)(H,60,71)(H,61,72)(H,62,78)(H,63,81)(H,64,80)(H,65,74)(H,83,84)(H4,55,56,57)/t24-,25+,26+,29+,30-,31-,32-,33-,34+,35+,37-,38+,39+,40+,41+,42+,50-/m0/s1"	CC(=O)N[C@H]1[C@H](O[C@@H]([C@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@H](C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O)C(N)=O)[C@H](C=O)NC(C)=O)[C@H](O)CO)O[C@H](CO)[C@@H](O)[C@@H]1O	CC(=O)NC(C=O)C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)N1CCCC1C(=O)NC(CCCNC(=N)N)C(=O)O)C(C)O)C(N)=O)C(OC1OC(CO)C(O)C(O)C1NC(C)=O)C(O)CO	PFRVGPRCEHYLRO-XNLGPXIZSA-N	.							
PDC_02000	Tuftsin - &Beta;-N-Acetylglucosamine conjugate 3	23	39	"InChI=1S/C56H89N13O23/c1-27(62-49(82)29(3)90-45(36(23-70)63-30(4)74)46(38(76)24-71)92-54-42(64-31(5)75)44(79)43(78)39(25-72)91-54)48(81)65-33(47(57)80)18-19-40(77)60-20-10-9-15-34(66-51(84)41(28(2)73)68-56(88)89-26-32-13-7-6-8-14-32)52(85)69-22-12-17-37(69)50(83)67-35(53(86)87)16-11-21-61-55(58)59/h6-8,13-14,23,27-29,33-39,41-46,54,71-73,76,78-79H,9-12,15-22,24-26H2,1-5H3,(H2,57,80)(H,60,77)(H,62,82)(H,63,74)(H,64,75)(H,65,81)(H,66,84)(H,67,83)(H,68,88)(H,86,87)(H4,58,59,61)/t27-,28+,29+,33+,34-,35-,36-,37-,38+,39+,41-,42+,43+,44+,45+,46+,54-/m0/s1"	CC(=O)N[C@H]1[C@H](O[C@@H]([C@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)OCc2ccccc2)[C@@H](C)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(N)=O)[C@H](C=O)NC(C)=O)[C@H](O)CO)O[C@H](CO)[C@@H](O)[C@@H]1O	CC(=O)NC(C=O)C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NCCCCC(NC(=O)C(NC(=O)OCc1ccccc1)C(C)O)C(=O)N1CCCC1C(=O)NC(CCCNC(=N)N)C(=O)O)C(N)=O)C(OC1OC(CO)C(O)C(O)C1NC(C)=O)C(O)CO	JUZUIUUNYKRRKD-JBCNFQFQSA-N	.							
PDC_02001	Tuftsin - &Beta;-N-Acetylglucosamine conjugate 1	22	36	"InChI=1S/C48H83N13O21/c1-21(54-42(74)23(3)80-38(29(18-62)55-24(4)66)39(31(68)19-63)82-47-35(56-25(5)67)37(71)36(70)32(20-64)81-47)41(73)57-26(40(50)72)13-14-33(69)60-34(22(2)65)44(76)58-27(10-6-7-15-49)45(77)61-17-9-12-30(61)43(75)59-28(46(78)79)11-8-16-53-48(51)52/h18,21-23,26-32,34-39,47,63-65,68,70-71H,6-17,19-20,49H2,1-5H3,(H2,50,72)(H,54,74)(H,55,66)(H,56,67)(H,57,73)(H,58,76)(H,59,75)(H,60,69)(H,78,79)(H4,51,52,53)/t21-,22+,23+,26+,27-,28-,29-,30-,31+,32+,34-,35+,36+,37+,38+,39+,47-/m0/s1"	CC(=O)N[C@H]1[C@H](O[C@@H]([C@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O)C(N)=O)[C@H](C=O)NC(C)=O)[C@H](O)CO)O[C@H](CO)[C@@H](O)[C@@H]1O	CC(=O)NC(C=O)C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CCCNC(=N)N)C(=O)O)C(C)O)C(N)=O)C(OC1OC(CO)C(O)C(O)C1NC(C)=O)C(O)CO	ITGLVPWDVQTIGO-PQSJGNSCSA-N	.							
PDC_02002	Tuftsin - &Beta;-N-Acetylglucosamine conjugate 4	22	36	"InChI=1S/C48H83N13O21/c1-21(55-42(74)23(3)80-38(29(18-62)56-24(4)66)39(31(68)19-63)82-47-35(57-25(5)67)37(71)36(70)32(20-64)81-47)41(73)58-26(40(50)72)13-14-33(69)53-15-7-6-10-27(59-44(76)34(49)22(2)65)45(77)61-17-9-12-30(61)43(75)60-28(46(78)79)11-8-16-54-48(51)52/h18,21-23,26-32,34-39,47,63-65,68,70-71H,6-17,19-20,49H2,1-5H3,(H2,50,72)(H,53,69)(H,55,74)(H,56,66)(H,57,67)(H,58,73)(H,59,76)(H,60,75)(H,78,79)(H4,51,52,54)/t21-,22+,23+,26+,27-,28-,29-,30-,31+,32+,34-,35+,36+,37+,38+,39+,47-/m0/s1"	CC(=O)N[C@H]1[C@H](O[C@@H]([C@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)NCCCC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(N)=O)[C@H](C=O)NC(C)=O)[C@H](O)CO)O[C@H](CO)[C@@H](O)[C@@H]1O	CC(=O)NC(C=O)C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NCCCCC(NC(=O)C(N)C(C)O)C(=O)N1CCCC1C(=O)NC(CCCNC(=N)N)C(=O)O)C(N)=O)C(OC1OC(CO)C(O)C(O)C1NC(C)=O)C(O)CO	WTEOFUBNRCOKIV-PQSJGNSCSA-N	.							
PDC_02003	TTNYT - 60-Fulleroacetic acid conjugate	11	18	"InChI=1S/C87H38N6O12/c1-10(94)76(82(101)90-16(9-17(88)98)80(99)89-15(8-13-4-6-14(97)7-5-13)81(100)93-78(12(3)96)85(104)105)91-83(102)77(11(2)95)92-84(103)79-86-72-64-56-46-36-28-20-18-19-22-26-24(20)32-40-34(26)44-38-30(22)31-23(19)27-25-21(18)29(28)37-43-33(25)41-35(27)45-39(31)49-48(38)58-52(44)62-54(40)60(50(56)42(32)36)68(72)70(62)74-66(58)67-59(49)53(45)63-55(41)61-51(43)57(47(37)46)65(64)73(86)69(61)71(63)75(67)87(74,79)86/h4-7,10-12,15-16,76-79,94-97H,8-9H2,1-3H3,(H2,88,98)(H,89,99)(H,90,101)(H,91,102)(H,92,103)(H,93,100)(H,104,105)/t10-,11-,12-,15+,16+,76+,77+,78+,79?,86?,87?/m1/s1"	C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1C23c4c5c6c7c8c9c(c%10c%11c2c2c4c4c%12c5c5c6c6c8c8c%13c9c9c%10c%10c%11c%11c2c2c4c4c%12c%12c5c5c6c8c6c8c%13c9c9c%10c%10c%11c2c2c4c4c%12c5c6c5c8c9c%10c2c45)C713)[C@@H](C)O)[C@@H](C)O)C(=O)O	CC(O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(NC(=O)C1C23c4c5c6c7c8c9c(c%10c%11c2c2c4c4c%12c5c5c6c6c8c8c%13c9c9c%10c%10c%11c%11c2c2c4c4c%12c%12c5c5c6c8c6c8c%13c9c9c%10c%10c%11c2c2c4c4c%12c5c6c5c8c9c%10c2c45)C713)C(C)O)C(C)O)C(=O)O	BYSGRBVHHVBLEU-IAEDCAKJSA-N	.							
PDC_02004	ARHTDYK - Pyridoxine conjugate	17	32	"InChI=1S/C46H68N14O14/c1-23-38(66)30(27(21-61)18-52-23)20-53-24(2)39(67)55-31(8-6-14-51-46(48)49)40(68)58-34(16-28-19-50-22-54-28)43(71)60-37(25(3)62)44(72)59-35(17-36(64)65)42(70)57-33(15-26-9-11-29(63)12-10-26)41(69)56-32(45(73)74)7-4-5-13-47/h9-12,18-19,22,24-25,31-35,37,53,61-63,66H,4-8,13-17,20-21,47H2,1-3H3,(H,50,54)(H,55,67)(H,56,69)(H,57,70)(H,58,68)(H,59,72)(H,60,71)(H,64,65)(H,73,74)(H4,48,49,51)/t24-,25+,31-,32-,33-,34-,35-,37-/m0/s1"	Cc1ncc(CO)c(CN[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)O)c1O	Cc1ncc(CO)c(CNC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc2cnc[nH]2)C(=O)NC(C(=O)NC(CC(=O)O)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(CCCCN)C(=O)O)C(C)O)c1O	YJOIDRAYTBOFMS-CFDYPFPPSA-N	.							
PDC_02005	"Diprolyl-oligoalanin 1 - [3S-(3&alpha;,5&alpha;,9&beta;,11a&beta;)]-5-acetyloctahydro-7-oxo-3,6-Methano-1H,3H-pyrrolo[2,1-c][1,4,7]thiadiazonine-9-carboxylic acid conjugate 1"	9	11	"InChI=1S/C29H46N8O8S/c1-13(23(39)30-7)31-24(40)14(2)32-25(41)15(3)33-26(42)16(4)34-27(43)17(5)35-28(44)21-9-8-19-12-46-20-10-22(29(45)37(19)21)36(11-20)18(6)38/h13-17,19-22H,8-12H2,1-7H3,(H,30,39)(H,31,40)(H,32,41)(H,33,42)(H,34,43)(H,35,44)"	CNC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C1CCC2CSC3CC(C(=O)N21)N(C(C)=O)C3	CNC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C1CCC2CSC3CC(C(=O)N21)N(C(C)=O)C3	CJYKSAWTFUDVJP-UHFFFAOYSA-N	.							
PDC_02006	"Diprolyl-oligoalanin 2 - [3S-(3&alpha;,5&alpha;,9&beta;,11a&beta;)]-5-acetyloctahydro-7-oxo-3,6-Methano-1H,3H-pyrrolo[2,1-c][1,4,7]thiadiazonine-9-carboxylic acid conjugate 1"	6	5	"InChI=1S/C20H31N5O5S/c1-10(17(27)21-4)22-18(28)11(2)23-19(29)15-6-5-13-9-31-14-7-16(20(30)25(13)15)24(8-14)12(3)26/h10-11,13-16H,5-9H2,1-4H3,(H,21,27)(H,22,28)(H,23,29)"	CNC(=O)C(C)NC(=O)C(C)NC(=O)C1CCC2CSC3CC(C(=O)N21)N(C(C)=O)C3	CNC(=O)C(C)NC(=O)C(C)NC(=O)C1CCC2CSC3CC(C(=O)N21)N(C(C)=O)C3	QHSDLNFWLWFCSE-UHFFFAOYSA-N	.							
PDC_02007	"Diprolyl-oligoalanin 3 - [3S-(3&alpha;,5&alpha;,9&beta;,11a&beta;)]-5-acetyloctahydro-7-oxo-3,6-Methano-1H,3H-pyrrolo[2,1-c][1,4,7]thiadiazonine-9-carboxylic acid conjugate 1"	7	7	"InChI=1S/C23H36N6O6S/c1-11(19(31)24-5)25-20(32)12(2)26-21(33)13(3)27-22(34)17-7-6-15-10-36-16-8-18(23(35)29(15)17)28(9-16)14(4)30/h11-13,15-18H,6-10H2,1-5H3,(H,24,31)(H,25,32)(H,26,33)(H,27,34)"	CNC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C1CCC2CSC3CC(C(=O)N21)N(C(C)=O)C3	CNC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C1CCC2CSC3CC(C(=O)N21)N(C(C)=O)C3	KEMNRTVTCONFHN-UHFFFAOYSA-N	.							
PDC_02008	"Diprolyl-oligoalanin 4 - [3S-(3&alpha;,5&alpha;,9&beta;,11a&beta;)]-5-acetyloctahydro-7-oxo-3,6-Methano-1H,3H-pyrrolo[2,1-c][1,4,7]thiadiazonine-9-carboxylic acid conjugate"	10	11	"InChI=1S/C32H51N7O9S/c1-16(26(42)34-17(2)27(43)35-18(3)28(44)36-19(4)31(47)48-32(6,7)8)33-25(41)14-37(9)29(45)23-11-10-21-15-49-22-12-24(30(46)39(21)23)38(13-22)20(5)40/h16-19,21-24H,10-15H2,1-9H3,(H,33,41)(H,34,42)(H,35,43)(H,36,44)"	CC(=O)N1CC2CC1C(=O)N1C(CCC1C(=O)N(C)CC(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)OC(C)(C)C)CS2	CC(=O)N1CC2CC1C(=O)N1C(CCC1C(=O)N(C)CC(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)OC(C)(C)C)CS2	IGCZTALPUOONHC-UHFFFAOYSA-N	.							
PDC_02009	"Diprolyl-oligoalanin 5 - [3S-(3&alpha;,5&alpha;,9&beta;,11a&beta;)]-5-acetyloctahydro-7-oxo-3,6-Methano-1H,3H-pyrrolo[2,1-c][1,4,7]thiadiazonine-9-carboxylic acid conjugate"	7	5	"InChI=1S/C23H36N4O6S/c1-13(22(32)33-23(3,4)5)24-19(29)11-25(6)20(30)17-8-7-15-12-34-16-9-18(21(31)27(15)17)26(10-16)14(2)28/h13,15-18H,7-12H2,1-6H3,(H,24,29)"	CC(=O)N1CC2CC1C(=O)N1C(CCC1C(=O)N(C)CC(=O)NC(C)C(=O)OC(C)(C)C)CS2	CC(=O)N1CC2CC1C(=O)N1C(CCC1C(=O)N(C)CC(=O)NC(C)C(=O)OC(C)(C)C)CS2	FDJUYWPWPYLYNC-UHFFFAOYSA-N	.							
PDC_02010	"Diprolyl-oligoalanin 6 - [3S-(3&alpha;,5&alpha;,9&beta;,11a&beta;)]-5-acetyloctahydro-7-oxo-3,6-Methano-1H,3H-pyrrolo[2,1-c][1,4,7]thiadiazonine-9-carboxylic acid conjugate"	11	13	"InChI=1S/C35H56N8O10S/c1-16(27(45)37-17(2)29(47)39-19(4)31(49)41-21(6)34(52)53-35(8,9)10)36-28(46)18(3)38-30(48)20(5)40-32(50)25-12-11-23-15-54-24-13-26(33(51)43(23)25)42(14-24)22(7)44/h16-21,23-26H,11-15H2,1-10H3,(H,36,46)(H,37,45)(H,38,48)(H,39,47)(H,40,50)(H,41,49)"	CC(=O)N1CC2CC1C(=O)N1C(CCC1C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)OC(C)(C)C)CS2	CC(=O)N1CC2CC1C(=O)N1C(CCC1C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)OC(C)(C)C)CS2	LDFLZHDUFVNCSS-UHFFFAOYSA-N	.							
PDC_02011	"Diprolyl-oligoalanin 1 - [3S-(3&alpha;,5&alpha;,9&beta;,11a&beta;)]-5-acetyloctahydro-7-oxo-3,6-Methano-1H,3H-pyrrolo[2,1-c][1,4,7]thiadiazonine-9-carboxylic acid conjugate"	10	11	"InChI=1S/C32H51N7O9S/c1-15(26(42)35-17(3)28(44)37-19(5)31(47)48-32(7,8)9)33-25(41)16(2)34-27(43)18(4)36-29(45)23-11-10-21-14-49-22-12-24(30(46)39(21)23)38(13-22)20(6)40/h15-19,21-24H,10-14H2,1-9H3,(H,33,41)(H,34,43)(H,35,42)(H,36,45)(H,37,44)"	CC(=O)N1CC2CC1C(=O)N1C(CCC1C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)OC(C)(C)C)CS2	CC(=O)N1CC2CC1C(=O)N1C(CCC1C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)OC(C)(C)C)CS2	OVNKOIYSKKFUPN-UHFFFAOYSA-N	.							
PDC_02012	"Diprolyl-oligoalanin 7 - [3S-(3&alpha;,5&alpha;,9&beta;,11a&beta;)]-5-acetyloctahydro-7-oxo-3,6-Methano-1H,3H-pyrrolo[2,1-c][1,4,7]thiadiazonine-9-carboxylic acid conjugate"	9	9	"InChI=1S/C29H46N6O8S/c1-14(23(37)31-15(2)25(39)33-17(4)28(42)43-29(6,7)8)30-24(38)16(3)32-26(40)21-10-9-19-13-44-20-11-22(27(41)35(19)21)34(12-20)18(5)36/h14-17,19-22H,9-13H2,1-8H3,(H,30,38)(H,31,37)(H,32,40)(H,33,39)"	CC(=O)N1CC2CC1C(=O)N1C(CCC1C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)OC(C)(C)C)CS2	CC(=O)N1CC2CC1C(=O)N1C(CCC1C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)OC(C)(C)C)CS2	UGERPERYHNSZLW-UHFFFAOYSA-N	.							
PDC_02013	"Diprolyl-oligoalanin 3 - [3S-(3&alpha;,5&alpha;,9&beta;,11a&beta;)]-5-acetyloctahydro-7-oxo-3,6-Methano-1H,3H-pyrrolo[2,1-c][1,4,7]thiadiazonine-9-carboxylic acid conjugate"	8	7	"InChI=1S/C26H41N5O7S/c1-13(22(34)29-15(3)25(37)38-26(5,6)7)27-21(33)14(2)28-23(35)19-9-8-17-12-39-18-10-20(24(36)31(17)19)30(11-18)16(4)32/h13-15,17-20H,8-12H2,1-7H3,(H,27,33)(H,28,35)(H,29,34)"	CC(=O)N1CC2CC1C(=O)N1C(CCC1C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)OC(C)(C)C)CS2	CC(=O)N1CC2CC1C(=O)N1C(CCC1C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)OC(C)(C)C)CS2	GUNNYPAZZLYIQL-UHFFFAOYSA-N	.							
PDC_02014	"Diprolyl-oligoalanin 2 - [3S-(3&alpha;,5&alpha;,9&beta;,11a&beta;)]-5-acetyloctahydro-7-oxo-3,6-Methano-1H,3H-pyrrolo[2,1-c][1,4,7]thiadiazonine-9-carboxylic acid conjugate"	7	5	"InChI=1S/C23H36N4O6S/c1-12(19(29)25-13(2)22(32)33-23(4,5)6)24-20(30)17-8-7-15-11-34-16-9-18(21(31)27(15)17)26(10-16)14(3)28/h12-13,15-18H,7-11H2,1-6H3,(H,24,30)(H,25,29)"	CC(=O)N1CC2CC1C(=O)N1C(CCC1C(=O)NC(C)C(=O)NC(C)C(=O)OC(C)(C)C)CS2	CC(=O)N1CC2CC1C(=O)N1C(CCC1C(=O)NC(C)C(=O)NC(C)C(=O)OC(C)(C)C)CS2	ULKSUCYJEKZYLE-UHFFFAOYSA-N	.							
PDC_02015	Piflufolastat F-18	6	13	"InChI=1S/C18H23FN4O8/c19-13-6-4-10(9-21-13)15(26)20-8-2-1-3-11(16(27)28)22-18(31)23-12(17(29)30)5-7-14(24)25/h4,6,9,11-12H,1-3,5,7-8H2,(H,20,26)(H,24,25)(H,27,28)(H,29,30)(H2,22,23,31)/t11-,12-/m0/s1/i19-1"	O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc([18F])nc1)C(=O)O)C(=O)O	O=C(O)CCC(NC(=O)NC(CCCCNC(=O)c1ccc(F)nc1)C(=O)O)C(=O)O	OLWVRJUNLXQDSP-MVBOSPHXSA-N	.							
PDC_02016	Sinomenine-synovial homing peptide conjugate (L)	24	50	"InChI=1S/C67H103N17O20S2/c1-34(2)23-41(58(93)82-46(32-106)64(99)100)78-56(91)40(14-12-21-72-65(69)70)76-60(95)43(27-52(89)90)79-59(94)42(25-37-29-71-33-74-37)80-63(98)54(35(3)86)83-61(96)44(30-85)81-57(92)39(13-9-10-19-68)77-62(97)45(31-105)75-51(88)15-8-7-11-20-73-66(101)104-55-49(102-5)17-16-36-24-47-38-26-50(103-6)48(87)28-67(38,53(36)55)18-22-84(47)4/h16-17,26,29,33-35,38-47,54,85-86,105-106H,7-15,18-25,27-28,30-32,68H2,1-6H3,(H,71,74)(H,73,101)(H,75,88)(H,76,95)(H,77,97)(H,78,91)(H,79,94)(H,80,98)(H,81,92)(H,82,93)(H,83,96)(H,89,90)(H,99,100)(H4,69,70,72)/t35-,38-,39+,40+,41+,42+,43+,44+,45+,46+,47-,54+,67+/m1/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CS[H])NC(=O)CCCCCNC(=O)Oc1c(OC)ccc2c1[C@]13CCN(C)[C@H](C2)[C@@]1([H])C=C(OC)C(=O)C3)C(=O)N[C@@H](CO[H])C(=O)N[C@]([H])(C(=O)N[C@@H](Cc1cn([H])cn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS[H])C(=O)O)[C@@H](C)O[H]	[H]NCCCCC(NC(=O)C(CS[H])NC(=O)CCCCCNC(=O)Oc1c(OC)ccc2c1C13CCN(C)C(C2)C1([H])C=C(OC)C(=O)C3)C(=O)NC(CO[H])C(=O)NC([H])(C(=O)NC(Cc1cn([H])cn1)C(=O)NC(CC(=O)O)C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CC(C)C)C(=O)NC(CS[H])C(=O)O)C(C)O[H]	QWTKSGMCTNLKCN-WWBFNODUSA-N	.							
PDC_02017	Sinomenine-synovial homing peptide conjugate (C)	24	30	"InChI=1S/C67H101N17O20S2/c1-34(2)23-41-58(93)82-46(64(99)100)32-106-105-31-45(75-51(88)15-8-7-11-20-73-66(101)104-55-49(102-5)17-16-36-24-47-38-26-50(103-6)48(87)28-67(38,53(36)55)18-22-84(47)4)62(97)77-39(13-9-10-19-68)57(92)81-44(30-85)61(96)83-54(35(3)86)63(98)80-42(25-37-29-71-33-74-37)59(94)79-43(27-52(89)90)60(95)76-40(56(91)78-41)14-12-21-72-65(69)70/h16-17,26,29,33-35,38-47,54,85-86H,7-15,18-25,27-28,30-32,68H2,1-6H3,(H,71,74)(H,73,101)(H,75,88)(H,76,95)(H,77,97)(H,78,91)(H,79,94)(H,80,98)(H,81,92)(H,82,93)(H,83,96)(H,89,90)(H,99,100)(H4,69,70,72)/t35-,38-,39+,40+,41+,42+,43+,44+,45+,46+,47-,54+,67+/m1/s1"	[H]NCCCC[C@@H]1NC(=O)[C@@H](NC(=O)CCCCCNC(=O)Oc2c(OC)ccc3c2[C@]24CCN(C)[C@H](C3)[C@@]2([H])C=C(OC)C(=O)C4)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2cn([H])cn2)NC(=O)[C@]([H])([C@@H](C)O[H])NC(=O)[C@H](CO[H])NC1=O	[H]NCCCCC1NC(=O)C(NC(=O)CCCCCNC(=O)Oc2c(OC)ccc3c2C24CCN(C)C(C3)C2([H])C=C(OC)C(=O)C4)CSSCC(C(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CC(=O)O)NC(=O)C(Cc2cn([H])cn2)NC(=O)C([H])(C(C)O[H])NC(=O)C(CO[H])NC1=O	RAEHPSWFJUBKPQ-WWBFNODUSA-N	.							
PDC_02018	MPD1	26	40	"InChI=1S/C71H88N10O28/c1-33(2)59(80-66(100)40(19-22-51(88)89)77-68(102)42(25-52(90)91)76-48(85)30-74-65(99)39(72)12-7-8-23-73-47(84)14-6-5-9-24-81-49(86)20-21-50(81)87)69(103)78-43(26-53(92)93)67(101)75-36-17-15-35(16-18-36)32-107-70(104)79-41-27-54(108-34(3)60(41)94)109-45-29-71(105,46(83)31-82)28-38-56(45)64(98)58-57(62(38)96)61(95)37-11-10-13-44(106-4)55(37)63(58)97/h10-11,13,15-18,20-21,33-34,39-43,45,54,59-60,82,94,96,98,105H,5-9,12,14,19,22-32,72H2,1-4H3,(H,73,84)(H,74,99)(H,75,101)(H,76,85)(H,77,102)(H,78,103)(H,79,104)(H,80,100)(H,88,89)(H,90,91)(H,92,93)/t34-,39-,40-,41-,42-,43-,45?,54-,59-,60+,71-/m0/s1"	[H]N[C@@H](CCCCNC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)Nc1ccc(COC(=O)N[C@H]2C[C@H](OC3C[C@](O)(C(=O)CO)Cc4c(O)c5c(c(O)c43)C(=O)c3c(OC)cccc3C5=O)O[C@@H](C)[C@H]2O)cc1)C(C)C	[H]NC(CCCCNC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O)C(=O)Nc1ccc(COC(=O)NC2CC(OC3CC(O)(C(=O)CO)Cc4c(O)c5c(c(O)c43)C(=O)c3c(OC)cccc3C5=O)OC(C)C2O)cc1)C(C)C	OAIAOCLVPFGBTR-DRJTZKTNSA-N	.							
PDC_02019	TATE-SS-Ama	39	41	"InChI=1S/C104H138N28O28S5/c1-6-53(2)85-98(153)111-43-82(141)113-75-50-161-101-66(65-19-11-13-21-68(65)121-101)38-73(89(144)110-44-83(142)122-85)117-99(154)86(54(3)79(138)49-133)123-97(152)78-37-63(137)47-132(78)102(156)74(118-94(75)149)39-81(140)109-42-60-45-130(128-126-60)30-29-106-104(159)160-31-33-163-162-32-27-80(139)108-41-61-46-131(129-127-61)48-84(143)112-70(34-57-16-8-7-9-17-57)91(146)119-76-51-164-165-52-77(96(151)125-88(56(5)135)103(157)158)120-100(155)87(55(4)134)124-90(145)69(22-14-15-28-105)114-93(148)72(36-59-40-107-67-20-12-10-18-64(59)67)116-92(147)71(115-95(76)150)35-58-23-25-62(136)26-24-58/h7-13,16-21,23-26,40,45-46,53-56,63,69-79,85-88,107,121,133-138H,6,14-15,22,27-39,41-44,47-52,105H2,1-5H3,(H,106,159)(H,108,139)(H,109,140)(H,110,144)(H,111,153)(H,112,143)(H,113,141)(H,114,148)(H,115,150)(H,116,147)(H,117,154)(H,118,149)(H,119,146)(H,120,155)(H,122,142)(H,123,152)(H,124,145)(H,125,151)(H,157,158)/t53-,54-,55+,56+,63+,69-,70+,71-,72+,73-,74-,75-,76-,77-,78-,79-,85-,86-,87-,88-/m0/s1"	CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@@H]2Cc3c([nH]c4ccccc34)SC[C@H](NC(=O)CNC1=O)C(=O)N[C@@H](CC(=O)NCc1cn(CCNC(=O)OCCSSCCC(=O)NCc3cn(CC(=O)N[C@H](Cc4ccccc4)C(=O)N[C@H]4CSSC[C@@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc5c[nH]c6ccccc56)NC(=O)[C@H](Cc5ccc(O)cc5)NC4=O)nn3)nn1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H]([C@@H](C)[C@@H](O)CO)C(=O)N2	CCC(C)C1NC(=O)CNC(=O)C2Cc3c([nH]c4ccccc34)SCC(NC(=O)CNC1=O)C(=O)NC(CC(=O)NCc1cn(CCNC(=O)OCCSSCCC(=O)NCc3cn(CC(=O)NC(Cc4ccccc4)C(=O)NC4CSSCC(C(=O)NC(C(=O)O)C(C)O)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(Cc5c[nH]c6ccccc56)NC(=O)C(Cc5ccc(O)cc5)NC4=O)nn3)nn1)C(=O)N1CC(O)CC1C(=O)NC(C(C)C(O)CO)C(=O)N2	LHGXHMLPXRCLAH-GREYEFBWSA-N	.							
PDC_02020	TATE-VCit-Ama	38	43	"InChI=1S/C114H150N28O32S3/c1-8-56(4)92-106(164)121-45-88(151)124-81-52-175-110-71(42-79(96(154)120-46-89(152)135-92)129-108(166)93(57(5)85(148)50-143)136-105(163)84-40-67(147)48-142(84)111(168)80(43-86(116)149)130-102(81)160)70-41-68(32-33-73(70)133-110)174-114(172)173-51-62-23-27-64(28-24-62)122-97(155)75(22-16-36-118-113(117)171)126-107(165)91(55(2)3)134-87(150)34-29-65-47-141(140-139-65)49-90(153)123-76(37-60-17-10-9-11-18-60)99(157)131-82-53-176-177-54-83(104(162)138-95(59(7)145)112(169)170)132-109(167)94(58(6)144)137-98(156)74(21-14-15-35-115)125-101(159)78(39-63-44-119-72-20-13-12-19-69(63)72)128-100(158)77(127-103(82)161)38-61-25-30-66(146)31-26-61/h9-13,17-20,23-28,30-33,41,44,47,55-59,67,74-85,91-95,119,133,143-148H,8,14-16,21-22,29,34-40,42-43,45-46,48-54,115H2,1-7H3,(H2,116,149)(H,120,154)(H,121,164)(H,122,155)(H,123,153)(H,124,151)(H,125,159)(H,126,165)(H,127,161)(H,128,158)(H,129,166)(H,130,160)(H,131,157)(H,132,167)(H,134,150)(H,135,152)(H,136,163)(H,137,156)(H,138,162)(H,169,170)(H3,117,118,171)/t56-,57-,58+,59+,67+,74-,75-,76+,77-,78+,79-,80-,81-,82-,83-,84-,85-,91-,92-,93-,94-,95-/m0/s1"	CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@@H]2Cc3c([nH]c4ccc(OC(=O)OCc5ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCc6cn(CC(=O)N[C@H](Cc7ccccc7)C(=O)N[C@H]7CSSC[C@@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc8c[nH]c9ccccc89)NC(=O)[C@H](Cc8ccc(O)cc8)NC7=O)nn6)C(C)C)cc5)cc34)SC[C@H](NC(=O)CNC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H]([C@@H](C)[C@@H](O)CO)C(=O)N2	CCC(C)C1NC(=O)CNC(=O)C2Cc3c([nH]c4ccc(OC(=O)OCc5ccc(NC(=O)C(CCCNC(N)=O)NC(=O)C(NC(=O)CCc6cn(CC(=O)NC(Cc7ccccc7)C(=O)NC7CSSCC(C(=O)NC(C(=O)O)C(C)O)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(Cc8c[nH]c9ccccc89)NC(=O)C(Cc8ccc(O)cc8)NC7=O)nn6)C(C)C)cc5)cc34)SCC(NC(=O)CNC1=O)C(=O)NC(CC(N)=O)C(=O)N1CC(O)CC1C(=O)NC(C(C)C(O)CO)C(=O)N2	UHZSSVGLGQPFNT-JJVRBCHTSA-N	.							
PDC_02021	TATE-PEG-Ama	43	58	"InChI=1S/C115H161N27O34S3/c1-6-65(2)97-110(163)121-55-94(151)123-87-62-177-113-78(77-19-11-13-21-80(77)131-113)50-85(101(154)120-56-95(152)132-97)127-111(164)98(66(3)91(148)61-143)133-109(162)90-49-75(147)59-142(90)114(166)86(128-106(87)159)51-93(150)119-54-72-57-140(138-136-72)29-31-170-33-35-172-37-39-174-41-43-176-45-44-175-42-40-173-38-36-171-34-32-169-30-27-92(149)118-53-73-58-141(139-137-73)60-96(153)122-82(46-69-16-8-7-9-17-69)103(156)129-88-63-178-179-64-89(108(161)135-100(68(5)145)115(167)168)130-112(165)99(67(4)144)134-102(155)81(22-14-15-28-116)124-105(158)84(48-71-52-117-79-20-12-10-18-76(71)79)126-104(157)83(125-107(88)160)47-70-23-25-74(146)26-24-70/h7-13,16-21,23-26,52,57-58,65-68,75,81-91,97-100,117,131,143-148H,6,14-15,22,27-51,53-56,59-64,116H2,1-5H3,(H,118,149)(H,119,150)(H,120,154)(H,121,163)(H,122,153)(H,123,151)(H,124,158)(H,125,160)(H,126,157)(H,127,164)(H,128,159)(H,129,156)(H,130,165)(H,132,152)(H,133,162)(H,134,155)(H,135,161)(H,167,168)/t65-,66-,67+,68+,75+,81-,82+,83-,84+,85-,86-,87-,88-,89-,90-,91-,97-,98-,99-,100-/m0/s1"	CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@@H]2Cc3c([nH]c4ccccc34)SC[C@H](NC(=O)CNC1=O)C(=O)N[C@@H](CC(=O)NCc1cn(CCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCc3cn(CC(=O)N[C@H](Cc4ccccc4)C(=O)N[C@H]4CSSC[C@@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc5c[nH]c6ccccc56)NC(=O)[C@H](Cc5ccc(O)cc5)NC4=O)nn3)nn1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H]([C@@H](C)[C@@H](O)CO)C(=O)N2	CCC(C)C1NC(=O)CNC(=O)C2Cc3c([nH]c4ccccc34)SCC(NC(=O)CNC1=O)C(=O)NC(CC(=O)NCc1cn(CCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCc3cn(CC(=O)NC(Cc4ccccc4)C(=O)NC4CSSCC(C(=O)NC(C(=O)O)C(C)O)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(Cc5c[nH]c6ccccc56)NC(=O)C(Cc5ccc(O)cc5)NC4=O)nn3)nn1)C(=O)N1CC(O)CC1C(=O)NC(C(C)C(O)CO)C(=O)N2	IVKXVBOEERQGLB-PXMBPRMISA-N	.							
PDC_02022	Ac-ECM	12	19	"InChI=1S/C57H77N13O9S2/c1-34-20-21-40(29-43(34)52(75)64-35(2)41-17-10-15-39-14-5-6-16-42(39)41)66-49(72)23-22-47(65-36(3)71)55(78)70-48-32-80-31-37-12-9-13-38(28-37)33-81(4)27-24-44(51(59)74)67-50(73)30-63-53(76)45(19-11-26-62-57(60)61)68-54(77)46(69-56(48)79)18-7-8-25-58/h5-6,9-10,12-17,20-21,28-29,35,44-48H,7-8,11,18-19,22-27,30-33,58H2,1-4H3,(H13-,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79)/p+1/t35?,44-,45-,46-,47-,48-,81?/m0/s1"	CC(=O)N[C@@H](CCC(=O)Nc1ccc(C)c(C(=O)NC(C)c2cccc3ccccc23)c1)C(=O)N[C@H]1CSCc2cccc(c2)C[S+](C)CC[C@@H](C(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC1=O	CC(=O)NC(CCC(=O)Nc1ccc(C)c(C(=O)NC(C)c2cccc3ccccc23)c1)C(=O)NC1CSCc2cccc(c2)C[S+](C)CCC(C(N)=O)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC1=O	LRYAYRNLTVTXQA-OVRYFIPXSA-O	.							
PDC_02023	Ac-EMC	12	19	"InChI=1S/C57H77N13O9S2/c1-34-20-21-40(29-43(34)52(75)64-35(2)41-17-10-15-39-14-5-6-16-42(39)41)66-49(72)23-22-46(65-36(3)71)55(78)70-47-24-27-81(4)33-38-13-9-12-37(28-38)31-80-32-48(51(59)74)67-50(73)30-63-53(76)44(19-11-26-62-57(60)61)68-54(77)45(69-56(47)79)18-7-8-25-58/h5-6,9-10,12-17,20-21,28-29,35,44-48H,7-8,11,18-19,22-27,30-33,58H2,1-4H3,(H13-,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79)/p+1/t35?,44-,45-,46-,47-,48-,81?/m0/s1"	CC(=O)N[C@@H](CCC(=O)Nc1ccc(C)c(C(=O)NC(C)c2cccc3ccccc23)c1)C(=O)N[C@H]1CC[S+](C)Cc2cccc(c2)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC1=O	CC(=O)NC(CCC(=O)Nc1ccc(C)c(C(=O)NC(C)c2cccc3ccccc23)c1)C(=O)NC1CC[S+](C)Cc2cccc(c2)CSCC(C(N)=O)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC1=O	RMKDQYJKSCBTTD-OVRYFIPXSA-O	.							
PDC_02024	Ac-ELRGG	10	25	"InChI=1S/C43H60N12O8/c1-25-16-17-29(22-32(25)39(60)51-26(2)30-13-8-11-28-10-4-5-12-31(28)30)53-37(58)19-18-35(52-27(3)56)42(63)55-34(14-6-7-20-44)41(62)54-33(15-9-21-48-43(46)47)40(61)50-24-38(59)49-23-36(45)57/h4-5,8,10-13,16-17,22,26,33-35H,6-7,9,14-15,18-21,23-24,44H2,1-3H3,(H2,45,57)(H,49,59)(H,50,61)(H,51,60)(H,52,56)(H,53,58)(H,54,62)(H,55,63)(H4,46,47,48)/t26?,33-,34-,35-/m0/s1"	CC(=O)N[C@@H](CCC(=O)Nc1ccc(C)c(C(=O)NC(C)c2cccc3ccccc23)c1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)NCC(N)=O	CC(=O)NC(CCC(=O)Nc1ccc(C)c(C(=O)NC(C)c2cccc3ccccc23)c1)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NCC(N)=O	MSCMQLFZGYCRHI-NZIHTYPLSA-N	.							
PDC_02025	CPT-Cyclo-GCGPep Conjugate 1	30	37	"InChI=1S/C86H126N26O21S2/c1-5-46(3)67-77(125)108-59(20-10-12-30-88)80(128)111-34-16-24-62(111)76(124)106-58(23-15-33-97-84(93)94)73(121)105-55(19-9-11-29-87)70(118)98-41-65(116)102-60(37-48-25-27-51(114)28-26-48)75(123)110-68(47(4)113)78(126)107-56(21-13-31-95-82(89)90)71(119)99-42-66(117)103-61(72(120)100-40-64(115)101-57(74(122)109-67)22-14-32-96-83(91)92)45-135-134-36-35-131-85(130)133-86(6-2)53-39-63-69-50(38-49-17-7-8-18-54(49)104-69)43-112(63)79(127)52(53)44-132-81(86)129/h7-8,17-18,25-28,38-39,46-47,55-62,67-68,113-114H,5-6,9-16,19-24,29-37,40-45,87-88H2,1-4H3,(H,98,118)(H,99,119)(H,100,120)(H,101,115)(H,102,116)(H,103,117)(H,105,121)(H,106,124)(H,107,126)(H,108,125)(H,109,122)(H,110,123)(H4,89,90,95)(H4,91,92,96)(H4,93,94,97)/t46-,47+,55-,56-,57-,58-,59-,60-,61-,62-,67-,68-,86-/m0/s1"	[H]NCCCC[C@@H]1NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN[H])NC(=O)[C@]([H])([C@@H](C)CC)NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)CNC(=O)[C@H](CSSCCOC(=O)O[C@]2(CC)C(=O)OCc3c2cc2n(c3=O)Cc3cc4ccccc4nc3-2)NC(=O)CNC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@]([H])([C@@H](C)O[H])NC(=O)[C@H](Cc2ccc(O[H])cc2)NC(=O)CNC1=O	[H]NCCCCC1NC(=O)C(CCCN=C(N)N[H])NC(=O)C2CCCN2C(=O)C(CCCCN[H])NC(=O)C([H])(C(C)CC)NC(=O)C(CCCN=C(N)N[H])NC(=O)CNC(=O)C(CSSCCOC(=O)OC2(CC)C(=O)OCc3c2cc2n(c3=O)Cc3cc4ccccc4nc3-2)NC(=O)CNC(=O)C(CCCN=C(N)N[H])NC(=O)C([H])(C(C)O[H])NC(=O)C(Cc2ccc(O[H])cc2)NC(=O)CNC1=O	PABZEXJHJAZCBX-HIDLEAJVSA-N	.							
PDC_02026	CPT-Cyclo-GCGPep Conjugate 2	29	37	"InChI=1S/C86H126N26O20S2/c1-5-46(3)68-78(126)108-59(20-10-12-31-88)81(129)111-35-16-24-62(111)77(125)106-58(23-15-34-97-85(93)94)74(122)105-55(19-9-11-30-87)71(119)98-41-65(116)102-60(37-48-25-27-51(114)28-26-48)76(124)110-69(47(4)113)79(127)107-56(21-13-32-95-83(89)90)72(120)99-42-66(117)103-61(73(121)100-40-64(115)101-57(75(123)109-68)22-14-33-96-84(91)92)45-134-133-36-29-67(118)132-86(6-2)53-39-63-70-50(38-49-17-7-8-18-54(49)104-70)43-112(63)80(128)52(53)44-131-82(86)130/h7-8,17-18,25-28,38-39,46-47,55-62,68-69,113-114H,5-6,9-16,19-24,29-37,40-45,87-88H2,1-4H3,(H,98,119)(H,99,120)(H,100,121)(H,101,115)(H,102,116)(H,103,117)(H,105,122)(H,106,125)(H,107,127)(H,108,126)(H,109,123)(H,110,124)(H4,89,90,95)(H4,91,92,96)(H4,93,94,97)/t46-,47+,55-,56-,57-,58-,59-,60-,61-,62-,68-,69-,86-/m0/s1"	[H]NCCCC[C@@H]1NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN[H])NC(=O)[C@]([H])([C@@H](C)CC)NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)CNC(=O)[C@H](CSSCCC(=O)O[C@]2(CC)C(=O)OCc3c2cc2n(c3=O)Cc3cc4ccccc4nc3-2)NC(=O)CNC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@]([H])([C@@H](C)O[H])NC(=O)[C@H](Cc2ccc(O[H])cc2)NC(=O)CNC1=O	[H]NCCCCC1NC(=O)C(CCCN=C(N)N[H])NC(=O)C2CCCN2C(=O)C(CCCCN[H])NC(=O)C([H])(C(C)CC)NC(=O)C(CCCN=C(N)N[H])NC(=O)CNC(=O)C(CSSCCC(=O)OC2(CC)C(=O)OCc3c2cc2n(c3=O)Cc3cc4ccccc4nc3-2)NC(=O)CNC(=O)C(CCCN=C(N)N[H])NC(=O)C([H])(C(C)O[H])NC(=O)C(Cc2ccc(O[H])cc2)NC(=O)CNC1=O	KNTUMIQWCFGCJQ-PZNDLDPUSA-N	.							
PDC_02027	CPT-Cyclo-GCGPep Conjugate 3	30	40	"InChI=1S/C93H135N27O22S/c1-5-50(3)74-84(135)115-63(23-12-14-34-95)87(138)118-39-19-27-66(118)83(134)113-62(26-18-37-104-92(100)101)80(131)112-59(22-11-13-33-94)77(128)105-45-70(124)109-64(40-52-29-31-55(122)32-30-52)82(133)117-75(51(4)121)85(136)114-60(24-16-35-102-90(96)97)78(129)106-46-71(125)110-65(79(130)107-44-69(123)108-61(81(132)116-74)25-17-36-103-91(98)99)49-143-68-43-72(126)119(88(68)139)38-15-7-8-28-73(127)142-93(6-2)57-42-67-76-54(41-53-20-9-10-21-58(53)111-76)47-120(67)86(137)56(57)48-141-89(93)140/h9-10,20-21,29-32,41-42,50-51,59-66,68,74-75,121-122H,5-8,11-19,22-28,33-40,43-49,94-95H2,1-4H3,(H,105,128)(H,106,129)(H,107,130)(H,108,123)(H,109,124)(H,110,125)(H,112,131)(H,113,134)(H,114,136)(H,115,135)(H,116,132)(H,117,133)(H4,96,97,102)(H4,98,99,103)(H4,100,101,104)/t50-,51+,59-,60-,61-,62-,63-,64-,65-,66-,68?,74-,75-,93-/m0/s1"	[H]NCCCC[C@@H]1NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN[H])NC(=O)[C@]([H])([C@@H](C)CC)NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)CNC(=O)[C@H](CSC2CC(=O)N(CCCCCC(=O)O[C@]3(CC)C(=O)OCc4c3cc3n(c4=O)Cc4cc5ccccc5nc4-3)C2=O)NC(=O)CNC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@]([H])([C@@H](C)O[H])NC(=O)[C@H](Cc2ccc(O[H])cc2)NC(=O)CNC1=O	[H]NCCCCC1NC(=O)C(CCCN=C(N)N[H])NC(=O)C2CCCN2C(=O)C(CCCCN[H])NC(=O)C([H])(C(C)CC)NC(=O)C(CCCN=C(N)N[H])NC(=O)CNC(=O)C(CSC2CC(=O)N(CCCCCC(=O)OC3(CC)C(=O)OCc4c3cc3n(c4=O)Cc4cc5ccccc5nc4-3)C2=O)NC(=O)CNC(=O)C(CCCN=C(N)N[H])NC(=O)C([H])(C(C)O[H])NC(=O)C(Cc2ccc(O[H])cc2)NC(=O)CNC1=O	VWKBZWIYZGQROG-HVOFLNOHSA-N	.							
PDC_02028	BPP-PTX	27	44	"InChI=1S/C104H136N16O26/c1-9-57(2)83(98(138)120-49-25-38-74(120)97(137)117-46-22-35-71(117)90(106)130)116-92(132)68(39-41-78(105)124)113-93(133)72-36-23-47-118(72)95(135)69(34-21-45-109-100(107)108)114-94(134)73-37-24-48-119(73)96(136)70(50-64-54-110-66-33-20-19-32-65(64)66)115-91(131)67(40-43-80(126)127)112-79(125)42-44-81(128)145-86(84(63-30-17-12-18-31-63)111-53-61-26-13-10-14-27-61)99(139)144-75-52-104(140)89(141-55-62-28-15-11-16-29-62)87-102(8,76(123)51-77-103(87,56-142-77)146-60(5)122)88(129)85(143-59(4)121)82(58(75)3)101(104,6)7/h10-20,26-33,54,57,67-77,83-87,89,110-111,123,140H,9,21-25,34-53,55-56H2,1-8H3,(H2,105,124)(H2,106,130)(H,112,125)(H,113,133)(H,114,134)(H,115,131)(H,116,132)(H,126,127)(H4,107,108,109)/t57-,67-,68-,69-,70-,71-,72-,73-,74-,75+,76?,77?,83-,84+,85?,86-,87+,89+,102?,103+,104?/m0/s1"	[H]NC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)CCC(=O)O[C@H](C(=O)O[C@@H]1CC2(O)[C@H](OCc3ccccc3)[C@]3([H])C(C)(C(=O)C(OC(C)=O)C(=C1C)C2(C)C)C(O)CC1OC[C@@]13OC(C)=O)[C@H](NCc1ccccc1)c1ccccc1)C(=O)N[C@]([H])(C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)CC	[H]NC(=O)CCC(NC(=O)C1CCCN1C(=O)C(CCCN=C(N)N[H])NC(=O)C1CCCN1C(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(CCC(=O)O)NC(=O)CCC(=O)OC(C(=O)OC1CC2(O)C(OCc3ccccc3)C3([H])C4(OC(C)=O)COC4CC(O)C3(C)C(=O)C(OC(C)=O)C(=C1C)C2(C)C)C(NCc1ccccc1)c1ccccc1)C(=O)NC([H])(C(=O)N1CCCC1C(=O)N1CCCC1C(N)=O)C(C)CC	JFAAGEOVIYNZRY-OIAPKWEHSA-N	.							
PDC_02029	LLC2B-Mal-DM1	51	109	"InChI=1S/C143H229ClN32O50S/c1-12-26-84(159-127(204)89(33-24-36-112(185)186)164-134(211)98(71-117(195)196)171-138(215)142(48-49-142)172-135(212)90(34-25-55-155-139(151)216)165-123(200)88(32-16-21-53-148)163-132(209)96(65-77(2)3)169-133(210)97(70-105(149)178)170-131(208)95-69-82(177)75-156-95)121(198)153-56-45-107(180)158-92(38-42-114(189)190)128(205)160-86(30-14-19-51-146)125(202)167-94(40-44-116(193)194)130(207)162-87(31-15-20-52-147)126(203)168-93(39-43-115(191)192)129(206)161-85(29-13-18-50-145)124(201)166-91(37-41-113(187)188)122(199)154-57-59-221-60-61-222-62-63-223-76-108(181)157-83(120(150)197)28-17-22-54-152-106(179)46-58-176-111(184)72-102(136(176)213)227-64-47-109(182)174(8)80(6)137(214)225-104-73-110(183)175(9)99-67-81(68-100(219-10)118(99)144)66-78(4)27-23-35-103(220-11)143(218)74-101(224-140(217)173-143)79(5)119-141(104,7)226-119/h23,27,35,67-68,77,79-80,82-98,101-104,119,121,153,156,177,198,218H,12-22,24-26,28-34,36-66,69-76,145-148H2,1-11H3,(H2,149,178)(H2,150,197)(H,152,179)(H,154,199)(H,157,181)(H,158,180)(H,159,204)(H,160,205)(H,161,206)(H,162,207)(H,163,209)(H,164,211)(H,165,200)(H,166,201)(H,167,202)(H,168,203)(H,169,210)(H,170,208)(H,171,215)(H,172,212)(H,173,217)(H,185,186)(H,187,188)(H,189,190)(H,191,192)(H,193,194)(H,195,196)(H3,151,155,216)/b35-23+,78-27+/t79-,80+,82?,83+,84+,85+,86+,87+,88-,89+,90+,91+,92+,93+,94+,95-,96-,97-,98-,101+,102?,103-,104+,119+,121?,141+,143+/m1/s1"	CCC[C@H](NC(=O)[C@H](CCCC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)C1(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H]2CC(O)CN2)CC1)C(O)NCCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)NCCOCCOCCOCC(=O)N[C@@H](CCCCNC(=O)CCN1C(=O)CC(SCCC(=O)N(C)[C@@H](C)C(=O)O[C@H]2CC(=O)N(C)c3cc(cc(OC)c3Cl)C/C(C)=C/C=C/[C@@H](OC)[C@@]3(O)C[C@H](OC(=O)N3)[C@@H](C)[C@@H]3O[C@@]23C)C1=O)C(N)=O	CCCC(NC(=O)C(CCCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C1(NC(=O)C(CCCNC(N)=O)NC(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)C2CC(O)CN2)CC1)C(O)NCCC(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NCCOCCOCCOCC(=O)NC(CCCCNC(=O)CCN1C(=O)CC(SCCC(=O)N(C)C(C)C(=O)OC2CC(=O)N(C)c3cc(cc(OC)c3Cl)CC(C)=CC=CC(OC)C3(O)CC(OC(=O)N3)C(C)C3OC23C)C1=O)C(N)=O	CXYKJJXASLHZDA-BNFXQFNBSA-N	.							
PDC_02030	LLC2B-SS-DM1	50	109	"InChI=1S/C139H226ClN31O48S2/c1-12-26-83(155-124(198)88(33-24-36-109(179)180)160-131(205)97(71-114(189)190)167-134(208)138(48-49-138)168-132(206)89(34-25-55-151-135(147)209)161-120(194)87(32-16-21-53-144)159-129(203)95(65-76(2)3)165-130(204)96(70-103(145)173)166-128(202)94-69-81(172)74-152-94)118(192)149-56-45-105(175)154-91(38-42-111(183)184)125(199)156-85(30-14-19-51-142)122(196)163-93(40-44-113(187)188)127(201)158-86(31-15-20-52-143)123(197)164-92(39-43-112(185)186)126(200)157-84(29-13-18-50-141)121(195)162-90(37-41-110(181)182)119(193)150-57-58-214-59-60-215-61-62-216-75-106(176)153-82(117(146)191)28-17-22-54-148-104(174)46-63-220-221-64-47-107(177)170(8)79(6)133(207)218-102-72-108(178)171(9)98-67-80(68-99(212-10)115(98)140)66-77(4)27-23-35-101(213-11)139(211)73-100(217-136(210)169-139)78(5)116-137(102,7)219-116/h23,27,35,67-68,76,78-79,81-97,100-102,116,118,149,152,172,192,211H,12-22,24-26,28-34,36-66,69-75,141-144H2,1-11H3,(H2,145,173)(H2,146,191)(H,148,174)(H,150,193)(H,153,176)(H,154,175)(H,155,198)(H,156,199)(H,157,200)(H,158,201)(H,159,203)(H,160,205)(H,161,194)(H,162,195)(H,163,196)(H,164,197)(H,165,204)(H,166,202)(H,167,208)(H,168,206)(H,169,210)(H,179,180)(H,181,182)(H,183,184)(H,185,186)(H,187,188)(H,189,190)(H3,147,151,209)/b35-23+,77-27+/t78-,79+,81?,82+,83+,84+,85+,86+,87-,88+,89+,90+,91+,92+,93+,94-,95-,96-,97-,100+,101-,102+,116+,118?,137+,139+/m1/s1"	CCC[C@H](NC(=O)[C@H](CCCC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)C1(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H]2CC(O)CN2)CC1)C(O)NCCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)NCCOCCOCCOCC(=O)N[C@@H](CCCCNC(=O)CCSSCCC(=O)N(C)[C@@H](C)C(=O)O[C@H]1CC(=O)N(C)c2cc(cc(OC)c2Cl)C/C(C)=C/C=C/[C@@H](OC)[C@@]2(O)C[C@H](OC(=O)N2)[C@@H](C)[C@@H]2O[C@@]12C)C(N)=O	CCCC(NC(=O)C(CCCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C1(NC(=O)C(CCCNC(N)=O)NC(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)C2CC(O)CN2)CC1)C(O)NCCC(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NCCOCCOCCOCC(=O)NC(CCCCNC(=O)CCSSCCC(=O)N(C)C(C)C(=O)OC1CC(=O)N(C)c2cc(cc(OC)c2Cl)CC(C)=CC=CC(OC)C2(O)CC(OC(=O)N2)C(C)C2OC12C)C(N)=O	ULFSYRDWRTZRQH-UMXSNFMESA-N	.							
PDC_02031	cCPP-CBT	31	46	"InChI=1S/C127H166N28O26S/c1-68-94(61-127(173)105(179-116(170)71-34-15-12-16-35-71)103-125(8,104(159)101(175-10)99(68)124(127,6)7)95(174-9)60-96-126(103,67-176-96)180-69(2)156)177-117(171)102(100(70-32-13-11-14-33-70)155-122(172)181-123(3,4)5)178-98(158)50-27-49-97(157)136-51-26-25-44-84-107(161)150-89(56-72-62-141-80-40-21-17-36-76(72)80)112(166)147-86(46-29-53-138-119(130)131)108(162)152-91(58-74-64-143-82-42-23-19-38-78(74)82)113(167)149-88(48-31-55-140-121(134)135)110(164)154-93(66-182)115(169)153-92(59-75-65-144-83-43-24-20-39-79(75)83)114(168)148-87(47-30-54-139-120(132)133)109(163)151-90(57-73-63-142-81-41-22-18-37-77(73)81)111(165)146-85(106(160)145-84)45-28-52-137-118(128)129/h11-24,32-43,62-65,84-96,100-103,105,141-144,173,182H,25-31,44-61,66-67H2,1-10H3,(H,136,157)(H,145,160)(H,146,165)(H,147,166)(H,148,168)(H,149,167)(H,150,161)(H,151,163)(H,152,162)(H,153,169)(H,154,164)(H,155,172)(H4,128,129,137)(H4,130,131,138)(H4,132,133,139)(H4,134,135,140)/t84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96+,100-,101+,102+,103-,105-,125+,126-,127+/m0/s1"	[H]N/C(N)=N\CCC[C@@H]1NC(=O)[C@H](Cc2cn([H])c3ccccc23)NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](Cc2cn([H])c3ccccc23)NC(=O)[C@H](CS[H])NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](Cc2cn([H])c3ccccc23)NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](Cc2cn([H])c3ccccc23)NC(=O)[C@H](CCCCNC(=O)CCCC(=O)O[C@@H](C(=O)O[C@H]2C[C@@]3(O)[C@@H](OC(=O)c4ccccc4)[C@@H]4[C@]5(OC(C)=O)CO[C@@H]5C[C@H](OC)[C@@]4(C)C(=O)[C@H](OC)C(=C2C)C3(C)C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)NC1=O	[H]NC(N)=NCCCC1NC(=O)C(Cc2cn([H])c3ccccc23)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(Cc2cn([H])c3ccccc23)NC(=O)C(CS[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C(Cc2cn([H])c3ccccc23)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(Cc2cn([H])c3ccccc23)NC(=O)C(CCCCNC(=O)CCCC(=O)OC(C(=O)OC2CC3(O)C(OC(=O)c4ccccc4)C4C5(OC(C)=O)COC5CC(OC)C4(C)C(=O)C(OC)C(=C2C)C3(C)C)C(NC(=O)OC(C)(C)C)c2ccccc2)NC1=O	JVCLVAVNXFDZPE-IRUCNPJBSA-N	.							
PDC_02032	TP1-cCPP-CBT	39	63	"InChI=1S/C142H191N35O33S2/c1-74-103(65-142(202)116(208-130(199)77-35-15-12-16-36-77)114-140(8,115(184)112(204-10)110(74)139(142,6)7)104(203-9)64-105-141(114,73-205-105)209-75(2)178)206-131(200)113(111(76-33-13-11-14-34-76)177-137(201)210-138(3,4)5)207-109(183)52-27-51-106(179)154-53-26-25-46-91-119(187)171-96(59-78-66-160-87-42-21-17-37-82(78)87)124(192)168-93(48-30-56-157-134(148)149)120(188)173-98(61-80-68-162-89-44-23-19-39-84(80)89)125(193)170-95(50-32-58-159-136(152)153)122(190)175-101(71-211-212-72-102(129(197)198)176-127(195)100(63-108(181)182)165-107(180)70-164-117(185)86(143)41-28-54-155-132(144)145)128(196)174-99(62-81-69-163-90-45-24-20-40-85(81)90)126(194)169-94(49-31-57-158-135(150)151)121(189)172-97(60-79-67-161-88-43-22-18-38-83(79)88)123(191)167-92(118(186)166-91)47-29-55-156-133(146)147/h11-24,33-40,42-45,66-69,86,91-105,111-114,116,160-163,202H,25-32,41,46-65,70-73,143H2,1-10H3,(H,154,179)(H,164,185)(H,165,180)(H,166,186)(H,167,191)(H,168,192)(H,169,194)(H,170,193)(H,171,187)(H,172,189)(H,173,188)(H,174,196)(H,175,190)(H,176,195)(H,177,201)(H,181,182)(H,197,198)(H4,144,145,155)(H4,146,147,156)(H4,148,149,157)(H4,150,151,158)(H4,152,153,159)/t86-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105+,111-,112+,113+,114-,116-,140+,141-,142+/m0/s1"	[H]N/C(N)=N\CCC[C@H](N[H])C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CSSC[C@@H]1NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](Cc2cn([H])c3ccccc23)NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](Cc2cn([H])c3ccccc23)NC(=O)[C@H](CCCCNC(=O)CCCC(=O)O[C@@H](C(=O)O[C@H]2C[C@@]3(O)[C@@H](OC(=O)c4ccccc4)[C@@H]4[C@]5(OC(C)=O)CO[C@@H]5C[C@H](OC)[C@@]4(C)C(=O)[C@H](OC)C(=C2C)C3(C)C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](Cc2cn([H])c3ccccc23)NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](Cc2cn([H])c3ccccc23)NC1=O)C(=O)O	[H]NC(N)=NCCCC(N[H])C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CSSCC1NC(=O)C(CCCN=C(N)N[H])NC(=O)C(Cc2cn([H])c3ccccc23)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(Cc2cn([H])c3ccccc23)NC(=O)C(CCCCNC(=O)CCCC(=O)OC(C(=O)OC2CC3(O)C(OC(=O)c4ccccc4)C4C5(OC(C)=O)COC5CC(OC)C4(C)C(=O)C(OC)C(=C2C)C3(C)C)C(NC(=O)OC(C)(C)C)c2ccccc2)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(Cc2cn([H])c3ccccc23)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(Cc2cn([H])c3ccccc23)NC1=O)C(=O)O	RWAFPJGVGQDAEA-BWEHEFGJSA-N	.							
PDC_02033	TP2-cCPP-CBT	46	78	"InChI=1S/C159H221N39O40S2/c1-79(2)120(143(222)187-105(55-37-63-176-153(169)170)136(215)197-121(82(5)200)144(223)193-111(75-199)141(220)181-81(4)129(208)192-110(146(225)226)68-117(204)205)195-145(224)122(83(6)201)196-130(209)95(160)76-239-240-77-112-142(221)191-109(67-90-74-180-99-49-29-25-45-94(90)99)140(219)185-103(53-35-61-174-151(165)166)134(213)189-107(65-88-72-178-97-47-27-23-43-92(88)97)137(216)183-101(51-33-59-172-149(161)162)131(210)182-100(132(211)188-106(64-87-71-177-96-46-26-22-42-91(87)96)138(217)184-102(52-34-60-173-150(163)164)133(212)190-108(66-89-73-179-98-48-28-24-44-93(89)98)139(218)186-104(135(214)194-112)54-36-62-175-152(167)168)50-30-31-58-171-116(203)56-32-57-118(206)235-125(123(85-38-18-16-19-39-85)198-154(229)238-155(8,9)10)148(228)234-113-70-159(230)128(236-147(227)86-40-20-17-21-41-86)126-157(13,127(207)124(232-15)119(80(113)3)156(159,11)12)114(231-14)69-115-158(126,78-233-115)237-84(7)202/h16-29,38-49,71-74,79,81-83,95,100-115,120-126,128,177-180,199-201,230H,30-37,50-70,75-78,160H2,1-15H3,(H,171,203)(H,181,220)(H,182,210)(H,183,216)(H,184,217)(H,185,219)(H,186,218)(H,187,222)(H,188,211)(H,189,213)(H,190,212)(H,191,221)(H,192,208)(H,193,223)(H,194,214)(H,195,224)(H,196,209)(H,197,215)(H,198,229)(H,204,205)(H,225,226)(H4,161,162,172)(H4,163,164,173)(H4,165,166,174)(H4,167,168,175)(H4,169,170,176)/t81-,82+,83+,95-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115+,120-,121-,122-,123-,124+,125+,126-,128-,157+,158-,159+/m0/s1"	[H]N/C(N)=N\CCC[C@@H]1NC(=O)[C@H](Cc2cn([H])c3ccccc23)NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](Cc2cn([H])c3ccccc23)NC(=O)[C@H](CSSC[C@H](N[H])C(=O)N[C@]([H])(C(=O)N[C@H](C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@]([H])(C(=O)N[C@@H](CO[H])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O[H])C(C)C)[C@@H](C)O[H])NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](Cc2cn([H])c3ccccc23)NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](Cc2cn([H])c3ccccc23)NC(=O)[C@H](CCCCNC(=O)CCCC(=O)O[C@@H](C(=O)O[C@H]2C[C@@]3(O)[C@@H](OC(=O)c4ccccc4)[C@@H]4[C@]5(OC(C)=O)CO[C@@H]5C[C@H](OC)[C@@]4(C)C(=O)[C@H](OC)C(=C2C)C3(C)C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)NC1=O	[H]NC(N)=NCCCC1NC(=O)C(Cc2cn([H])c3ccccc23)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(Cc2cn([H])c3ccccc23)NC(=O)C(CSSCC(N[H])C(=O)NC([H])(C(=O)NC(C(=O)NC(CCCN=C(N)N[H])C(=O)NC([H])(C(=O)NC(CO[H])C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)O)C(C)O[H])C(C)C)C(C)O[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C(Cc2cn([H])c3ccccc23)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(Cc2cn([H])c3ccccc23)NC(=O)C(CCCCNC(=O)CCCC(=O)OC(C(=O)OC2CC3(O)C(OC(=O)c4ccccc4)C4C5(OC(C)=O)COC5CC(OC)C4(C)C(=O)C(OC)C(=C2C)C3(C)C)C(NC(=O)OC(C)(C)C)c2ccccc2)NC1=O	MLZCXWJFWYJUIN-GQOJZVBQSA-N	.							
PDC_02034	R-C12-1	43	121	"InChI=1S/C156H256N46O38S/c1-14-17-18-19-20-21-22-23-30-56-119(207)184-99(50-36-65-172-151(157)158)131(219)179-82-120(208)185-112(78-95-80-178-98-48-32-31-47-97(95)98)143(231)197-110(76-93-43-26-24-27-44-93)142(230)192-101(51-37-66-173-152(159)160)132(220)181-90(10)128(216)188-108(63-73-241-13)140(228)190-105(55-41-70-177-156(167)168)137(225)200-115(83-203)146(234)202-124(89(9)16-3)148(236)183-92(12)130(218)187-103(53-39-68-175-154(163)164)135(223)196-111(77-94-45-28-25-29-46-94)145(233)201-123(88(8)15-2)147(235)182-91(11)129(217)186-102(52-38-67-174-153(161)162)134(222)193-106(59-61-121(209)210)138(226)189-104(54-40-69-176-155(165)166)136(224)195-109(74-86(4)5)141(229)191-100(49-33-34-64-170-117(205)57-35-58-118(206)171-71-42-72-239-150-127(215)126(214)125(213)116(84-204)240-150)133(221)194-107(60-62-122(211)212)139(227)198-113(79-96-81-169-85-180-96)144(232)199-114(149(237)238)75-87(6)7/h24-29,31-32,43-48,80-81,85-92,99-116,123-127,150,178,203-204,213-215H,14-23,30,33-42,49-79,82-84H2,1-13H3,(H,169,180)(H,170,205)(H,171,206)(H,179,219)(H,181,220)(H,182,235)(H,183,236)(H,184,207)(H,185,208)(H,186,217)(H,187,218)(H,188,216)(H,189,226)(H,190,228)(H,191,229)(H,192,230)(H,193,222)(H,194,221)(H,195,224)(H,196,223)(H,197,231)(H,198,227)(H,199,232)(H,200,225)(H,201,233)(H,202,234)(H,209,210)(H,211,212)(H,237,238)(H4,157,158,172)(H4,159,160,173)(H4,161,162,174)(H4,163,164,175)(H4,165,166,176)(H4,167,168,177)/t88?,89?,90?,91?,92?,99?,100?,101?,102?,103?,104?,105?,106?,107?,108?,109?,110?,111?,112?,113?,114?,115?,116-,123?,124?,125-,126?,127-,150-/m1/s1"	[H]C(NC(=O)C(CCCNC(=N)N)NC(=O)CCCCCCCCCCC)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CCSC)C(=O)NC(CCCNC(=N)N)C(=O)NC(CO)C(=O)NC(C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCCNC(=O)CCCC(=O)NCCCO[C@@H]1O[C@H](CO)[C@@H](O)C(O)[C@H]1O)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(CC(C)C)C(=O)O)C([H])(C)CC)C([H])(C)CC	[H]C(NC(=O)C(CCCNC(=N)N)NC(=O)CCCCCCCCCCC)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CCSC)C(=O)NC(CCCNC(=N)N)C(=O)NC(CO)C(=O)NC(C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCCNC(=O)CCCC(=O)NCCCOC1OC(CO)C(O)C(O)C1O)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(CC(C)C)C(=O)O)C([H])(C)CC)C([H])(C)CC	BGOPHYBXXKGUCB-NAUKZVKISA-N	.							
PDC_02035	R-C12-2	43	121	"InChI=1S/C156H256N46O38S/c1-14-17-18-19-20-21-22-23-30-56-119(207)184-99(50-36-65-172-151(157)158)131(219)179-82-120(208)185-112(78-95-80-178-98-48-32-31-47-97(95)98)143(231)197-110(76-93-43-26-24-27-44-93)142(230)191-101(51-37-66-173-152(159)160)132(220)181-90(10)128(216)188-108(63-73-241-13)140(228)190-105(55-41-70-177-156(167)168)137(225)200-115(83-203)146(234)202-124(89(9)16-3)148(236)183-92(12)130(218)187-103(53-39-68-175-154(163)164)136(224)196-111(77-94-45-28-25-29-46-94)145(233)201-123(88(8)15-2)147(235)182-91(11)129(217)186-102(52-38-67-174-153(161)162)133(221)193-106(59-61-121(209)210)138(226)189-100(49-33-34-64-170-117(205)57-35-58-118(206)171-71-42-72-239-150-127(215)126(214)125(213)116(84-204)240-150)135(223)195-109(74-86(4)5)141(229)192-104(54-40-69-176-155(165)166)134(222)194-107(60-62-122(211)212)139(227)198-113(79-96-81-169-85-180-96)144(232)199-114(149(237)238)75-87(6)7/h24-29,31-32,43-48,80-81,85-92,99-116,123-127,150,178,203-204,213-215H,14-23,30,33-42,49-79,82-84H2,1-13H3,(H,169,180)(H,170,205)(H,171,206)(H,179,219)(H,181,220)(H,182,235)(H,183,236)(H,184,207)(H,185,208)(H,186,217)(H,187,218)(H,188,216)(H,189,226)(H,190,228)(H,191,230)(H,192,229)(H,193,221)(H,194,222)(H,195,223)(H,196,224)(H,197,231)(H,198,227)(H,199,232)(H,200,225)(H,201,233)(H,202,234)(H,209,210)(H,211,212)(H,237,238)(H4,157,158,172)(H4,159,160,173)(H4,161,162,174)(H4,163,164,175)(H4,165,166,176)(H4,167,168,177)/t88?,89?,90?,91?,92?,99?,100?,101?,102?,103?,104?,105?,106?,107?,108?,109?,110?,111?,112?,113?,114?,115?,116-,123?,124?,125-,126?,127-,150-/m1/s1"	[H]C(NC(=O)C(CCCNC(=N)N)NC(=O)CCCCCCCCCCC)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CCSC)C(=O)NC(CCCNC(=N)N)C(=O)NC(CO)C(=O)NC(C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCNC(=O)CCCC(=O)NCCCO[C@@H]1O[C@H](CO)[C@@H](O)C(O)[C@H]1O)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(CC(C)C)C(=O)O)C([H])(C)CC)C([H])(C)CC	[H]C(NC(=O)C(CCCNC(=N)N)NC(=O)CCCCCCCCCCC)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CCSC)C(=O)NC(CCCNC(=N)N)C(=O)NC(CO)C(=O)NC(C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCNC(=O)CCCC(=O)NCCCOC1OC(CO)C(O)C(O)C1O)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(CC(C)C)C(=O)O)C([H])(C)CC)C([H])(C)CC	SUAUFLUNCFISKD-NAUKZVKISA-N	.							
PDC_02036	R-C12-3	43	121	"InChI=1S/C156H256N46O38S/c1-14-17-18-19-20-21-22-23-30-56-119(207)184-99(50-36-65-172-151(157)158)131(219)179-82-120(208)185-112(78-95-80-178-98-48-32-31-47-97(95)98)143(231)197-110(76-93-43-26-24-27-44-93)142(230)191-101(51-37-66-173-152(159)160)132(220)181-90(10)128(216)188-108(63-73-241-13)140(228)190-105(55-41-70-177-156(167)168)137(225)200-115(83-203)146(234)202-124(89(9)16-3)148(236)183-92(12)130(218)187-102(52-38-67-174-153(161)162)135(223)196-111(77-94-45-28-25-29-46-94)145(233)201-123(88(8)15-2)147(235)182-91(11)129(217)186-100(49-33-34-64-170-117(205)57-35-58-118(206)171-71-42-72-239-150-127(215)126(214)125(213)116(84-204)240-150)133(221)193-106(59-61-121(209)210)138(226)189-104(54-40-69-176-155(165)166)136(224)195-109(74-86(4)5)141(229)192-103(53-39-68-175-154(163)164)134(222)194-107(60-62-122(211)212)139(227)198-113(79-96-81-169-85-180-96)144(232)199-114(149(237)238)75-87(6)7/h24-29,31-32,43-48,80-81,85-92,99-116,123-127,150,178,203-204,213-215H,14-23,30,33-42,49-79,82-84H2,1-13H3,(H,169,180)(H,170,205)(H,171,206)(H,179,219)(H,181,220)(H,182,235)(H,183,236)(H,184,207)(H,185,208)(H,186,217)(H,187,218)(H,188,216)(H,189,226)(H,190,228)(H,191,230)(H,192,229)(H,193,221)(H,194,222)(H,195,224)(H,196,223)(H,197,231)(H,198,227)(H,199,232)(H,200,225)(H,201,233)(H,202,234)(H,209,210)(H,211,212)(H,237,238)(H4,157,158,172)(H4,159,160,173)(H4,161,162,174)(H4,163,164,175)(H4,165,166,176)(H4,167,168,177)/t88?,89?,90?,91?,92?,99?,100?,101?,102?,103?,104?,105?,106?,107?,108?,109?,110?,111?,112?,113?,114?,115?,116-,123?,124?,125-,126?,127-,150-/m1/s1"	[H]C(NC(=O)C(CCCNC(=N)N)NC(=O)CCCCCCCCCCC)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CCSC)C(=O)NC(CCCNC(=N)N)C(=O)NC(CO)C(=O)NC(C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(C)C(=O)NC(CCCCNC(=O)CCCC(=O)NCCCO[C@@H]1O[C@H](CO)[C@@H](O)C(O)[C@H]1O)C(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(CC(C)C)C(=O)O)C([H])(C)CC)C([H])(C)CC	[H]C(NC(=O)C(CCCNC(=N)N)NC(=O)CCCCCCCCCCC)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CCSC)C(=O)NC(CCCNC(=N)N)C(=O)NC(CO)C(=O)NC(C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(C)C(=O)NC(CCCCNC(=O)CCCC(=O)NCCCOC1OC(CO)C(O)C(O)C1O)C(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(CC(C)C)C(=O)O)C([H])(C)CC)C([H])(C)CC	GHXDOSLHRRWKOK-NAUKZVKISA-N	.							
PDC_02037	R-C12-4	43	121	"InChI=1S/C156H256N46O38S/c1-14-17-18-19-20-21-22-23-30-56-119(207)184-99(50-36-65-172-151(157)158)131(219)179-82-120(208)185-112(78-95-80-178-98-48-32-31-47-97(95)98)143(231)197-110(76-93-43-26-24-27-44-93)142(230)191-101(51-37-66-173-152(159)160)132(220)181-90(10)128(216)188-108(63-73-241-13)140(228)190-105(55-41-70-177-156(167)168)137(225)200-115(83-203)146(234)202-124(89(9)16-3)148(236)183-91(11)129(217)186-100(49-33-34-64-170-117(205)57-35-58-118(206)171-71-42-72-239-150-127(215)126(214)125(213)116(84-204)240-150)135(223)196-111(77-94-45-28-25-29-46-94)145(233)201-123(88(8)15-2)147(235)182-92(12)130(218)187-102(52-38-67-174-153(161)162)133(221)193-106(59-61-121(209)210)138(226)189-104(54-40-69-176-155(165)166)136(224)195-109(74-86(4)5)141(229)192-103(53-39-68-175-154(163)164)134(222)194-107(60-62-122(211)212)139(227)198-113(79-96-81-169-85-180-96)144(232)199-114(149(237)238)75-87(6)7/h24-29,31-32,43-48,80-81,85-92,99-116,123-127,150,178,203-204,213-215H,14-23,30,33-42,49-79,82-84H2,1-13H3,(H,169,180)(H,170,205)(H,171,206)(H,179,219)(H,181,220)(H,182,235)(H,183,236)(H,184,207)(H,185,208)(H,186,217)(H,187,218)(H,188,216)(H,189,226)(H,190,228)(H,191,230)(H,192,229)(H,193,221)(H,194,222)(H,195,224)(H,196,223)(H,197,231)(H,198,227)(H,199,232)(H,200,225)(H,201,233)(H,202,234)(H,209,210)(H,211,212)(H,237,238)(H4,157,158,172)(H4,159,160,173)(H4,161,162,174)(H4,163,164,175)(H4,165,166,176)(H4,167,168,177)/t88?,89?,90?,91?,92?,99?,100?,101?,102?,103?,104?,105?,106?,107?,108?,109?,110?,111?,112?,113?,114?,115?,116-,123?,124?,125-,126?,127-,150-/m1/s1"	[H]C(NC(=O)C(CCCNC(=N)N)NC(=O)CCCCCCCCCCC)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CCSC)C(=O)NC(CCCNC(=N)N)C(=O)NC(CO)C(=O)NC(C(=O)NC(C)C(=O)NC(CCCCNC(=O)CCCC(=O)NCCCO[C@@H]1O[C@H](CO)[C@@H](O)C(O)[C@H]1O)C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(CC(C)C)C(=O)O)C([H])(C)CC)C([H])(C)CC	[H]C(NC(=O)C(CCCNC(=N)N)NC(=O)CCCCCCCCCCC)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CCSC)C(=O)NC(CCCNC(=N)N)C(=O)NC(CO)C(=O)NC(C(=O)NC(C)C(=O)NC(CCCCNC(=O)CCCC(=O)NCCCOC1OC(CO)C(O)C(O)C1O)C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(CC(C)C)C(=O)O)C([H])(C)CC)C([H])(C)CC	RAPWLGAOTYIGJR-NAUKZVKISA-N	.							
PDC_02038	R-C12-5	43	121	"InChI=1S/C156H256N46O38S/c1-14-17-18-19-20-21-22-23-30-56-119(207)184-99(50-36-65-172-151(157)158)131(219)179-82-120(208)185-112(78-95-80-178-98-48-32-31-47-97(95)98)143(231)197-110(76-93-43-26-24-27-44-93)142(230)191-101(51-37-66-173-152(159)160)132(220)181-90(10)128(216)188-108(63-73-241-13)140(228)189-100(49-33-34-64-170-117(205)57-35-58-118(206)171-71-42-72-239-150-127(215)126(214)125(213)116(84-204)240-150)137(225)200-115(83-203)146(234)202-124(89(9)16-3)148(236)183-92(12)130(218)187-103(53-39-68-175-154(163)164)135(223)196-111(77-94-45-28-25-29-46-94)145(233)201-123(88(8)15-2)147(235)182-91(11)129(217)186-102(52-38-67-174-153(161)162)133(221)193-106(59-61-121(209)210)138(226)190-105(55-41-70-177-156(167)168)136(224)195-109(74-86(4)5)141(229)192-104(54-40-69-176-155(165)166)134(222)194-107(60-62-122(211)212)139(227)198-113(79-96-81-169-85-180-96)144(232)199-114(149(237)238)75-87(6)7/h24-29,31-32,43-48,80-81,85-92,99-116,123-127,150,178,203-204,213-215H,14-23,30,33-42,49-79,82-84H2,1-13H3,(H,169,180)(H,170,205)(H,171,206)(H,179,219)(H,181,220)(H,182,235)(H,183,236)(H,184,207)(H,185,208)(H,186,217)(H,187,218)(H,188,216)(H,189,228)(H,190,226)(H,191,230)(H,192,229)(H,193,221)(H,194,222)(H,195,224)(H,196,223)(H,197,231)(H,198,227)(H,199,232)(H,200,225)(H,201,233)(H,202,234)(H,209,210)(H,211,212)(H,237,238)(H4,157,158,172)(H4,159,160,173)(H4,161,162,174)(H4,163,164,175)(H4,165,166,176)(H4,167,168,177)/t88?,89?,90?,91?,92?,99?,100?,101?,102?,103?,104?,105?,106?,107?,108?,109?,110?,111?,112?,113?,114?,115?,116-,123?,124?,125-,126?,127-,150-/m1/s1"	[H]C(NC(=O)C(CCCNC(=N)N)NC(=O)CCCCCCCCCCC)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CCSC)C(=O)NC(CCCCNC(=O)CCCC(=O)NCCCO[C@@H]1O[C@H](CO)[C@@H](O)C(O)[C@H]1O)C(=O)NC(CO)C(=O)NC(C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(CC(C)C)C(=O)O)C([H])(C)CC)C([H])(C)CC	[H]C(NC(=O)C(CCCNC(=N)N)NC(=O)CCCCCCCCCCC)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CCSC)C(=O)NC(CCCCNC(=O)CCCC(=O)NCCCOC1OC(CO)C(O)C(O)C1O)C(=O)NC(CO)C(=O)NC(C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(CC(C)C)C(=O)O)C([H])(C)CC)C([H])(C)CC	CJLVNBYBBYNWPW-NAUKZVKISA-N	.							
PDC_02039	R-C12-6	43	121	"InChI=1S/C156H256N46O38S/c1-14-17-18-19-20-21-22-23-30-56-119(207)184-99(50-36-65-172-151(157)158)131(219)179-82-120(208)185-112(78-95-80-178-98-48-32-31-47-97(95)98)143(231)197-110(76-93-43-26-24-27-44-93)142(230)191-100(49-33-34-64-170-117(205)57-35-58-118(206)171-71-42-72-239-150-127(215)126(214)125(213)116(84-204)240-150)132(220)181-90(10)128(216)188-108(63-73-241-13)140(228)190-105(55-41-70-177-156(167)168)137(225)200-115(83-203)146(234)202-124(89(9)16-3)148(236)183-92(12)130(218)187-102(52-38-67-174-153(161)162)135(223)196-111(77-94-45-28-25-29-46-94)145(233)201-123(88(8)15-2)147(235)182-91(11)129(217)186-101(51-37-66-173-152(159)160)133(221)193-106(59-61-121(209)210)138(226)189-104(54-40-69-176-155(165)166)136(224)195-109(74-86(4)5)141(229)192-103(53-39-68-175-154(163)164)134(222)194-107(60-62-122(211)212)139(227)198-113(79-96-81-169-85-180-96)144(232)199-114(149(237)238)75-87(6)7/h24-29,31-32,43-48,80-81,85-92,99-116,123-127,150,178,203-204,213-215H,14-23,30,33-42,49-79,82-84H2,1-13H3,(H,169,180)(H,170,205)(H,171,206)(H,179,219)(H,181,220)(H,182,235)(H,183,236)(H,184,207)(H,185,208)(H,186,217)(H,187,218)(H,188,216)(H,189,226)(H,190,228)(H,191,230)(H,192,229)(H,193,221)(H,194,222)(H,195,224)(H,196,223)(H,197,231)(H,198,227)(H,199,232)(H,200,225)(H,201,233)(H,202,234)(H,209,210)(H,211,212)(H,237,238)(H4,157,158,172)(H4,159,160,173)(H4,161,162,174)(H4,163,164,175)(H4,165,166,176)(H4,167,168,177)/t88?,89?,90?,91?,92?,99?,100?,101?,102?,103?,104?,105?,106?,107?,108?,109?,110?,111?,112?,113?,114?,115?,116-,123?,124?,125-,126?,127-,150-/m1/s1"	[H]C(NC(=O)C(CCCNC(=N)N)NC(=O)CCCCCCCCCCC)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCCNC(=O)CCCC(=O)NCCCO[C@@H]1O[C@H](CO)[C@@H](O)C(O)[C@H]1O)C(=O)NC(C)C(=O)NC(CCSC)C(=O)NC(CCCNC(=N)N)C(=O)NC(CO)C(=O)NC(C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(CC(C)C)C(=O)O)C([H])(C)CC)C([H])(C)CC	[H]C(NC(=O)C(CCCNC(=N)N)NC(=O)CCCCCCCCCCC)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCCNC(=O)CCCC(=O)NCCCOC1OC(CO)C(O)C(O)C1O)C(=O)NC(C)C(=O)NC(CCSC)C(=O)NC(CCCNC(=N)N)C(=O)NC(CO)C(=O)NC(C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(CC(C)C)C(=O)O)C([H])(C)CC)C([H])(C)CC	QQUPIYHMAAUOCG-NAUKZVKISA-N	.							
PDC_02040	R-C12-7	43	121	"InChI=1S/C156H256N46O38S/c1-14-17-18-19-20-21-22-23-30-56-119(207)184-99(49-33-34-64-170-117(205)57-35-58-118(206)171-71-42-72-239-150-127(215)126(214)125(213)116(84-204)240-150)131(219)179-82-120(208)185-112(78-95-80-178-98-48-32-31-47-97(95)98)143(231)197-110(76-93-43-26-24-27-44-93)142(230)191-100(50-36-65-172-151(157)158)132(220)181-90(10)128(216)188-108(63-73-241-13)140(228)190-105(55-41-70-177-156(167)168)137(225)200-115(83-203)146(234)202-124(89(9)16-3)148(236)183-92(12)130(218)187-102(52-38-67-174-153(161)162)135(223)196-111(77-94-45-28-25-29-46-94)145(233)201-123(88(8)15-2)147(235)182-91(11)129(217)186-101(51-37-66-173-152(159)160)133(221)193-106(59-61-121(209)210)138(226)189-104(54-40-69-176-155(165)166)136(224)195-109(74-86(4)5)141(229)192-103(53-39-68-175-154(163)164)134(222)194-107(60-62-122(211)212)139(227)198-113(79-96-81-169-85-180-96)144(232)199-114(149(237)238)75-87(6)7/h24-29,31-32,43-48,80-81,85-92,99-116,123-127,150,178,203-204,213-215H,14-23,30,33-42,49-79,82-84H2,1-13H3,(H,169,180)(H,170,205)(H,171,206)(H,179,219)(H,181,220)(H,182,235)(H,183,236)(H,184,207)(H,185,208)(H,186,217)(H,187,218)(H,188,216)(H,189,226)(H,190,228)(H,191,230)(H,192,229)(H,193,221)(H,194,222)(H,195,224)(H,196,223)(H,197,231)(H,198,227)(H,199,232)(H,200,225)(H,201,233)(H,202,234)(H,209,210)(H,211,212)(H,237,238)(H4,157,158,172)(H4,159,160,173)(H4,161,162,174)(H4,163,164,175)(H4,165,166,176)(H4,167,168,177)/t88?,89?,90?,91?,92?,99?,100?,101?,102?,103?,104?,105?,106?,107?,108?,109?,110?,111?,112?,113?,114?,115?,116-,123?,124?,125-,126?,127-,150-/m1/s1"	[H]C(NC(=O)C(CCCCNC(=O)CCCC(=O)NCCCO[C@@H]1O[C@H](CO)[C@@H](O)C(O)[C@H]1O)NC(=O)CCCCCCCCCCC)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CCSC)C(=O)NC(CCCNC(=N)N)C(=O)NC(CO)C(=O)NC(C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(CC(C)C)C(=O)O)C([H])(C)CC)C([H])(C)CC	[H]C(NC(=O)C(CCCCNC(=O)CCCC(=O)NCCCOC1OC(CO)C(O)C(O)C1O)NC(=O)CCCCCCCCCCC)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CCSC)C(=O)NC(CCCNC(=N)N)C(=O)NC(CO)C(=O)NC(C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(CC(C)C)C(=O)O)C([H])(C)CC)C([H])(C)CC	YKBZRHWGKQVYEM-NAUKZVKISA-N	.							
PDC_02041	FA-P3-PTX	53	113	"InChI=1S/C188H272N40O40S/c1-104(2)90-131(156(195)236)216-169(248)134(93-107(7)8)221-176(255)148(109(11)12)224-174(253)138(102-269-140-97-144(233)228(178(140)257)89-51-25-38-74-145(234)266-152(149(116-60-32-22-33-61-116)225-159(238)117-62-34-23-35-63-117)181(261)265-139-99-188(262)155(267-180(260)119-64-36-24-37-65-119)153-186(18,141(231)98-142-187(153,103-263-142)268-112(15)230)154(235)151(264-111(14)229)146(110(139)13)185(188,16)17)222-167(246)126(70-43-49-85-193)209-160(239)122(66-39-45-81-189)211-168(247)133(92-106(5)6)217-164(243)124(68-41-47-83-191)208-163(242)128(72-52-87-201-182(196)197)213-171(250)136(95-114-56-28-20-29-57-114)220-172(251)137(96-115-58-30-21-31-59-115)219-165(244)125(69-42-48-84-192)207-161(240)123(67-40-46-82-190)212-170(249)135(94-113-54-26-19-27-55-113)218-166(245)129(73-53-88-202-183(198)199)210-162(241)127(71-44-50-86-194)214-175(254)147(108(9)10)223-173(252)132(91-105(3)4)206-143(232)80-79-130(179(258)259)215-158(237)118-75-77-120(78-76-118)203-100-121-101-204-157-150(205-121)177(256)227-184(200)226-157/h19-24,26-37,54-65,75-78,101,104-109,122-142,147-149,151-153,155,203,231,262H,25,38-53,66-74,79-100,102-103,189-194H2,1-18H3,(H2,195,236)(H,206,232)(H,207,240)(H,208,242)(H,209,239)(H,210,241)(H,211,247)(H,212,249)(H,213,250)(H,214,254)(H,215,237)(H,216,248)(H,217,243)(H,218,245)(H,219,244)(H,220,251)(H,221,255)(H,222,246)(H,223,252)(H,224,253)(H,225,238)(H,258,259)(H4,196,197,201)(H4,198,199,202)(H3,200,204,226,227,256)/t122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140?,141-,142+,147-,148-,149-,151+,152+,153-,155-,186+,187-,188+/m0/s1"	CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](OC(=O)CCCCCN4C(=O)CC(SC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc5ccccc5)NC(=O)[C@H](Cc5ccccc5)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc5ccccc5)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CC[C@H](NC(=O)c5ccc(NCc6cnc7nc(N)[nH]c(=O)c7n6)cc5)C(=O)O)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C)C4=O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(OC(=O)CCCCCN3C(=O)CC(SCC(NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(Cc4ccccc4)NC(=O)C(Cc4ccccc4)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(Cc4ccccc4)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)CCC(NC(=O)c4ccc(NCc5cnc6nc(N)[nH]c(=O)c6n5)cc4)C(=O)O)C(C)C)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(N)=O)C(C)C)C3=O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	DAAVNUFLGLBZAG-FLEUDODYSA-N	.							
PDC_02042	FA-P7-PTX	53	113	"InChI=1S/C188H272N52O40S/c1-98(2)84-125(150(189)248)228-163(260)128(87-101(7)8)233-170(267)142(103(11)12)236-168(265)132(96-281-134-91-138(245)240(172(134)269)83-39-25-38-68-139(246)278-146(143(110-54-32-22-33-55-110)237-153(250)111-56-34-23-35-57-111)175(273)277-133-93-188(274)149(279-174(272)113-58-36-24-37-59-113)147-186(18,135(243)92-136-187(147,97-275-136)280-106(15)242)148(247)145(276-105(14)241)140(104(133)13)185(188,16)17)234-161(258)122(66-46-81-213-182(202)203)222-154(251)116(60-40-75-207-176(190)191)223-162(259)127(86-100(5)6)229-158(255)119(63-43-78-210-179(196)197)219-155(252)118(62-42-77-209-178(194)195)225-165(262)130(89-108-50-28-20-29-51-108)232-166(263)131(90-109-52-30-21-31-53-109)231-160(257)120(64-44-79-211-180(198)199)220-156(253)117(61-41-76-208-177(192)193)224-164(261)129(88-107-48-26-19-27-49-107)230-159(256)121(65-45-80-212-181(200)201)221-157(254)123(67-47-82-214-183(204)205)226-169(266)141(102(9)10)235-167(264)126(85-99(3)4)218-137(244)74-73-124(173(270)271)227-152(249)112-69-71-114(72-70-112)215-94-115-95-216-151-144(217-115)171(268)239-184(206)238-151/h19-24,26-37,48-59,69-72,95,98-103,116-136,141-143,145-147,149,215,243,274H,25,38-47,60-68,73-94,96-97H2,1-18H3,(H2,189,248)(H,218,244)(H,219,252)(H,220,253)(H,221,254)(H,222,251)(H,223,259)(H,224,261)(H,225,262)(H,226,266)(H,227,249)(H,228,260)(H,229,255)(H,230,256)(H,231,257)(H,232,263)(H,233,267)(H,234,258)(H,235,264)(H,236,265)(H,237,250)(H,270,271)(H4,190,191,207)(H4,192,193,208)(H4,194,195,209)(H4,196,197,210)(H4,198,199,211)(H4,200,201,212)(H4,202,203,213)(H4,204,205,214)(H3,206,216,238,239,268)/t116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134?,135-,136+,141-,142-,143-,145+,146+,147-,149-,186+,187-,188+/m0/s1"	CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](OC(=O)CCCCCN4C(=O)CC(SC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc5ccccc5)NC(=O)[C@H](Cc5ccccc5)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc5ccccc5)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CC[C@H](NC(=O)c5ccc(NCc6cnc7nc(N)[nH]c(=O)c7n6)cc5)C(=O)O)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C)C4=O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O	CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(OC(=O)CCCCCN3C(=O)CC(SCC(NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(Cc4ccccc4)NC(=O)C(Cc4ccccc4)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(Cc4ccccc4)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)CCC(NC(=O)c4ccc(NCc5cnc6nc(N)[nH]c(=O)c6n5)cc4)C(=O)O)C(C)C)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(N)=O)C(C)C)C3=O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	UXFCOJSNQNWADO-GWYSWULDSA-N	.							
PDC_02043	SAL2-Aoa-Thr-OH	7	10	"InChI=1S/C21H22BrN3O7/c1-11(25-32-10-18(28)24-19(12(2)26)21(30)31)13-3-6-15(7-4-13)23-20(29)16-9-14(22)5-8-17(16)27/h3-9,12,19,26-27H,10H2,1-2H3,(H,23,29)(H,24,28)(H,30,31)/b25-11-/t12-,19+/m1/s1"	[H]O[C@H](C)[C@]([H])(NC(=O)CO/N=C(/C)c1ccc(NC(=O)c2cc(Br)ccc2O)cc1)C(=O)O	[H]OC(C)C([H])(NC(=O)CON=C(C)c1ccc(NC(=O)c2cc(Br)ccc2O)cc1)C(=O)O	OYELQDMHJLPDBJ-GUVTYOFWSA-N	.							
PDC_02044	SAL2-Aoa-Gly-OH	6	8	"InChI=1S/C19H18BrN3O6/c1-11(23-29-10-17(25)21-9-18(26)27)12-2-5-14(6-3-12)22-19(28)15-8-13(20)4-7-16(15)24/h2-8,24H,9-10H2,1H3,(H,21,25)(H,22,28)(H,26,27)/b23-11-"	C/C(=N/OCC(=O)NCC(=O)O)c1ccc(NC(=O)c2cc(Br)ccc2O)cc1	CC(=NOCC(=O)NCC(=O)O)c1ccc(NC(=O)c2cc(Br)ccc2O)cc1	HYYRJZGAHBYHAD-KSEXSDGBSA-N	.							
PDC_02045	Boc-Phe-Pro-AZT	10	9	"InChI=1S/C29H37N7O8/c1-17-15-36(27(40)32-24(17)37)23-14-19(33-34-30)22(43-23)16-42-26(39)21-11-8-12-35(21)25(38)20(13-18-9-6-5-7-10-18)31-28(41)44-29(2,3)4/h5-7,9-10,15,19-23H,8,11-14,16H2,1-4H3,(H,31,41)(H,32,37,40)/t19-,20-,21-,22+,23+/m0/s1"	Cc1cn([C@H]2C[C@H]([N-][N+]#N)[C@@H](COC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O2)c(=O)[nH]c1=O	Cc1cn(C2CC([N-][N+]#N)C(COC(=O)C3CCCN3C(=O)C(Cc3ccccc3)NC(=O)OC(C)(C)C)O2)c(=O)[nH]c1=O	XACJJTIBLOVPPT-IACLWVNRSA-N	.							
PDC_02046	Fmoc-Phe-Pro-AZT	12	11	"InChI=1S/C40H39N7O10/c1-23-20-47(38(51)43-35(23)48)34-19-30(44-45-41)33(56-34)22-54-37(50)32-16-9-17-46(32)36(49)31(18-24-10-3-2-4-11-24)42-39(52)57-40(53)55-21-29-27-14-7-5-12-25(27)26-13-6-8-15-28(26)29/h2-8,10-15,20,29-34H,9,16-19,21-22H2,1H3,(H,42,52)(H,43,48,51)/t30-,31-,32-,33+,34+/m0/s1"	Cc1cn([C@H]2C[C@H]([N-][N+]#N)[C@@H](COC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)OC(=O)OCC3c4ccccc4-c4ccccc43)O2)c(=O)[nH]c1=O	Cc1cn(C2CC([N-][N+]#N)C(COC(=O)C3CCCN3C(=O)C(Cc3ccccc3)NC(=O)OC(=O)OCC3c4ccccc4-c4ccccc43)O2)c(=O)[nH]c1=O	QYRSTIUIXHECAV-KSVMHDQPSA-N	.							
PDC_02047	Z-Phe-Pro-AZT	10	11	"InChI=1S/C32H35N7O8/c1-20-17-39(31(43)35-28(20)40)27-16-23(36-37-33)26(47-27)19-45-30(42)25-13-8-14-38(25)29(41)24(15-21-9-4-2-5-10-21)34-32(44)46-18-22-11-6-3-7-12-22/h2-7,9-12,17,23-27H,8,13-16,18-19H2,1H3,(H,34,44)(H,35,40,43)/t23-,24-,25-,26+,27+/m0/s1"	Cc1cn([C@H]2C[C@H]([N-][N+]#N)[C@@H](COC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)OCc3ccccc3)O2)c(=O)[nH]c1=O	Cc1cn(C2CC([N-][N+]#N)C(COC(=O)C3CCCN3C(=O)C(Cc3ccccc3)NC(=O)OCc3ccccc3)O2)c(=O)[nH]c1=O	AHUUWWAZLKKTFH-AFTJIJFZSA-N	.							
PDC_02048	Qnc-Phe-Pro-AZT	10	10	"InChI=1S/C34H34N8O7/c1-20-18-42(34(47)38-30(20)43)29-17-25(39-40-35)28(49-29)19-48-33(46)27-12-7-15-41(27)32(45)26(16-21-8-3-2-4-9-21)37-31(44)24-14-13-22-10-5-6-11-23(22)36-24/h2-6,8-11,13-14,18,25-29H,7,12,15-17,19H2,1H3,(H,37,44)(H,38,43,47)/t25-,26-,27-,28+,29+/m0/s1"	Cc1cn([C@H]2C[C@H]([N-][N+]#N)[C@@H](COC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccc4ccccc4n3)O2)c(=O)[nH]c1=O	Cc1cn(C2CC([N-][N+]#N)C(COC(=O)C3CCCN3C(=O)C(Cc3ccccc3)NC(=O)c3ccc4ccccc4n3)O2)c(=O)[nH]c1=O	HZRBRKLAQIUHHA-OTJWULCMSA-N	.							
PDC_02049	Boc-Asn-Phe-Pro-AZT	12	13	"InChI=1S/C33H43N9O10/c1-18-16-42(31(48)38-27(18)44)26-15-20(39-40-35)24(51-26)17-50-30(47)23-11-8-12-41(23)29(46)22(13-19-9-6-5-7-10-19)36-28(45)21(14-25(34)43)37-32(49)52-33(2,3)4/h5-7,9-10,16,20-24,26H,8,11-15,17H2,1-4H3,(H2,34,43)(H,36,45)(H,37,49)(H,38,44,48)/t20-,21-,22-,23-,24+,26+/m0/s1"	Cc1cn([C@H]2C[C@H]([N-][N+]#N)[C@@H](COC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)O2)c(=O)[nH]c1=O	Cc1cn(C2CC([N-][N+]#N)C(COC(=O)C3CCCN3C(=O)C(Cc3ccccc3)NC(=O)C(CC(N)=O)NC(=O)OC(C)(C)C)O2)c(=O)[nH]c1=O	NQEWZSVUWZICNV-IKCYPONRSA-N	.							
PDC_02050	Fmoc-Asn-Phe-Pro-AZT	12	15	"InChI=1S/C43H45N9O10/c1-24-21-52(42(58)48-38(24)54)37-20-31(49-50-45)35(62-37)23-60-41(57)34-16-9-17-51(34)40(56)33(18-25-10-3-2-4-11-25)46-39(55)32(19-36(44)53)47-43(59)61-22-30-28-14-7-5-12-26(28)27-13-6-8-15-29(27)30/h2-8,10-15,21,30-35,37H,9,16-20,22-23H2,1H3,(H2,44,53)(H,46,55)(H,47,59)(H,48,54,58)/t31-,32-,33-,34-,35+,37+/m0/s1"	Cc1cn([C@H]2C[C@H]([N-][N+]#N)[C@@H](COC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(N)=O)NC(=O)OCC3c4ccccc4-c4ccccc43)O2)c(=O)[nH]c1=O	Cc1cn(C2CC([N-][N+]#N)C(COC(=O)C3CCCN3C(=O)C(Cc3ccccc3)NC(=O)C(CC(N)=O)NC(=O)OCC3c4ccccc4-c4ccccc43)O2)c(=O)[nH]c1=O	MZVPDVBEYBMXAM-PIBBGRFPSA-N	.							
PDC_02051	Qnc-Asn-Phe-Pro-AZT	12	14	"InChI=1S/C38H40N10O9/c1-21-19-48(38(55)44-33(21)50)32-18-26(45-46-40)30(57-32)20-56-37(54)29-12-7-15-47(29)36(53)28(16-22-8-3-2-4-9-22)43-35(52)27(17-31(39)49)42-34(51)25-14-13-23-10-5-6-11-24(23)41-25/h2-6,8-11,13-14,19,26-30,32H,7,12,15-18,20H2,1H3,(H2,39,49)(H,42,51)(H,43,52)(H,44,50,55)/t26-,27-,28-,29-,30+,32+/m0/s1"	Cc1cn([C@H]2C[C@H]([N-][N+]#N)[C@@H](COC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(N)=O)NC(=O)c3ccc4ccccc4n3)O2)c(=O)[nH]c1=O	Cc1cn(C2CC([N-][N+]#N)C(COC(=O)C3CCCN3C(=O)C(Cc3ccccc3)NC(=O)C(CC(N)=O)NC(=O)c3ccc4ccccc4n3)O2)c(=O)[nH]c1=O	OHTCAKUNRLRWQM-QAELEWMSSA-N	.							
PDC_02052	Boc-Phe-Pro-Ile-AZT	11	13	"InChI=1S/C35H48N8O9/c1-7-20(2)28(32(47)50-19-26-23(40-41-36)17-27(51-26)43-18-21(3)29(44)39-33(43)48)38-30(45)25-14-11-15-42(25)31(46)24(16-22-12-9-8-10-13-22)37-34(49)52-35(4,5)6/h8-10,12-13,18,20,23-28H,7,11,14-17,19H2,1-6H3,(H,37,49)(H,38,45)(H,39,44,48)/t20-,23-,24-,25-,26+,27+,28-/m0/s1"	[H][C@@](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)(C(=O)OC[C@@H]1O[C@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1[N-][N+]#N)[C@@H](C)CC	[H]C(NC(=O)C1CCCN1C(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)(C(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1[N-][N+]#N)C(C)CC	DRCCUVGNKLNVMH-SVFFNFDZSA-N	.							
PDC_02053	NIA-D1	34	79	"InChI=1S/C111H163N31O32/c1-57(2)41-72(133-104(166)83-23-17-39-141(83)108(170)80(44-60(7)8)135-97(159)74(43-59(5)6)126-89(151)54-139-40-37-119-111(139)142(173)174)93(155)121-53-88(150)124-73(42-58(3)4)96(158)123-61(9)92(154)120-52-87(149)125-78(49-86(114)148)101(163)131-76(46-65-27-31-68(146)32-28-65)99(161)137-82(55-143)103(165)129-71(21-14-15-35-112)107(169)140-38-18-24-84(140)105(167)138-91(62(10)144)106(168)134-79(50-90(152)153)102(164)127-69(22-16-36-118-110(115)116)94(156)128-70(33-34-85(113)147)95(157)130-75(45-64-25-29-67(145)30-26-64)98(160)132-77(48-66-51-117-56-122-66)100(162)136-81(109(171)172)47-63-19-12-11-13-20-63/h11-13,19-20,25-32,37,40,51,56-62,69-84,91,143-144H,14-18,21-24,33-36,38-39,41-50,52-55,112H2,1-10H3,(H31-,113,114,115,116,117,118,120,121,122,123,124,125,126,127,128,129,130,131,132,133,134,135,136,137,138,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165,166,167,168,171,172,173,174)/p+1/t61-,62+,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,91-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CO[H])NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](CC(=O)N[H])NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)Cn1ccnc1[N+](=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@]([H])(C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](CCC(=O)N[H])C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)N[C@@H](Cc1cn([H])cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)O[H]	[H]NCCCCC(NC(=O)C(CO[H])NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(CC(=O)N[H])NC(=O)CNC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)Cn1ccnc1[N+](=O)O)C(=O)N1CCCC1C(=O)NC([H])(C(=O)NC(CC(=O)O)C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCC(=O)N[H])C(=O)NC(Cc1ccc(O[H])cc1)C(=O)NC(Cc1cn([H])cn1)C(=O)NC(Cc1ccccc1)C(=O)O)C(C)O[H]	VYTSMDKDDINKQC-DHNAFNFKSA-O	.							
PDC_02054	IBF-HYD-GFFpY	9	22	"InChI=1S/C49H53N4O12P/c1-31(2)26-35-14-18-37(19-15-35)32(3)49(60)64-39-24-20-38(21-25-39)45(55)50-30-44(54)51-41(27-33-10-6-4-7-11-33)46(56)52-42(28-34-12-8-5-9-13-34)47(57)53-43(48(58)59)29-36-16-22-40(23-17-36)65-66(61,62)63/h4-25,31-32,41-43H,26-30H2,1-3H3,(H,50,55)(H,51,54)(H,52,56)(H,53,57)(H,58,59)(H2,61,62,63)/t32?,41-,42-,43-/m0/s1"	CC(C)Cc1ccc(C(C)C(=O)Oc2ccc(C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccc(OP(=O)(O)O)cc3)C(=O)O)cc2)cc1	CC(C)Cc1ccc(C(C)C(=O)Oc2ccc(C(=O)NCC(=O)NC(Cc3ccccc3)C(=O)NC(Cc3ccccc3)C(=O)NC(Cc3ccc(OP(=O)(O)O)cc3)C(=O)O)cc2)cc1	PZHBJYJQNWLDEP-NVUHBIHISA-N	.							
PDC_02055	FLCpOH-TP10-7-NH<sub>2</sub>	36	92	"InChI=1S/C124H202F2N32O27/c1-21-74(14)102(152-100(164)61-134-98(162)60-136-107(168)91(57-79-41-44-81(159)45-42-79)146-113(174)88(52-69(4)5)141-99(163)62-135-105(166)77(17)139-97(161)39-32-40-101(165)185-124(63-156-67-132-65-137-156,64-157-68-133-66-138-157)82-46-43-80(125)58-83(82)126)117(178)148-92(59-96(131)160)114(175)144-86(36-26-30-49-129)111(172)153-103(75(15)22-2)118(179)149-93(55-72(10)11)120(181)158-51-33-38-95(158)116(177)147-89(53-70(6)7)112(173)140-78(18)106(167)142-84(34-24-28-47-127)108(169)145-90(54-71(8)9)115(176)155-123(19,20)122(184)151-87(37-27-31-50-130)109(170)143-85(35-25-29-48-128)110(171)154-104(76(16)23-3)119(180)150-94(121(182)183)56-73(12)13/h41-46,58,65-78,84-95,102-104,159H,21-40,47-57,59-64,127-130H2,1-20H3,(H2,131,160)(H,134,162)(H,135,166)(H,136,168)(H,139,161)(H,140,173)(H,141,163)(H,142,167)(H,143,170)(H,144,175)(H,145,169)(H,146,174)(H,147,177)(H,148,178)(H,149,179)(H,150,180)(H,151,184)(H,152,164)(H,153,172)(H,154,171)(H,155,176)(H,182,183)/t74-,75-,76-,77-,78-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,102-,103-,104-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@]([H])(NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CC(=O)N[H])NC(=O)[C@@]([H])(NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)CCCC(=O)OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](CCCCN[H])C(=O)N[C@]([H])(C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC	[H]NCCCCC(NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C([H])(NC(=O)C(CCCCN[H])NC(=O)C(CC(=O)N[H])NC(=O)C([H])(NC(=O)CNC(=O)CNC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(C)NC(=O)CCCC(=O)OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F)C(C)CC)C(C)CC)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(CCCCN[H])C(=O)NC(CCCCN[H])C(=O)NC([H])(C(=O)NC(CC(C)C)C(=O)O)C(C)CC	YGEJXZZTYRCQMS-IBQOCNPQSA-N	.							
PDC_02056	FLCpOH-TP10-NH<sub>2</sub>	37	95	"InChI=1S/C124H204F2N34O27/c1-22-72(14)102(156-100(166)59-135-98(164)58-137-111(174)94(55-80-40-43-82(161)44-41-80)153-118(181)90(51-68(6)7)145-99(165)60-136-106(169)75(17)140-97(163)38-33-39-101(167)187-124(61-159-65-133-63-138-159,62-160-66-134-64-139-160)83-45-42-81(125)56-84(83)126)121(184)155-95(57-96(131)162)120(183)149-88(37-28-32-49-130)115(178)158-104(74(16)24-3)123(186)154-93(54-71(12)13)119(182)148-85(34-25-29-46-127)112(175)142-79(21)110(173)152-91(52-69(8)9)116(179)143-76(18)107(170)141-77(19)109(172)151-92(53-70(10)11)117(180)144-78(20)108(171)146-86(35-26-30-47-128)113(176)147-87(36-27-31-48-129)114(177)157-103(73(15)23-2)122(185)150-89(105(132)168)50-67(4)5/h40-45,56,63-79,85-95,102-104,161H,22-39,46-55,57-62,127-130H2,1-21H3,(H2,131,162)(H2,132,168)(H,135,164)(H,136,169)(H,137,174)(H,140,163)(H,141,170)(H,142,175)(H,143,179)(H,144,180)(H,145,165)(H,146,171)(H,147,176)(H,148,182)(H,149,183)(H,150,185)(H,151,172)(H,152,173)(H,153,181)(H,154,186)(H,155,184)(H,156,166)(H,157,177)(H,158,178)/t72-,73-,74-,75-,76-,77-,78-,79-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,102-,103-,104-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CC(C)C)NC(=O)[C@@]([H])(NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CC(=O)N[H])NC(=O)[C@@]([H])(NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)CCCC(=O)OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](CCCCN[H])C(=O)N[C@]([H])(C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC	[H]NCCCCC(NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CCCCN[H])NC(=O)C(CC(C)C)NC(=O)C([H])(NC(=O)C(CCCCN[H])NC(=O)C(CC(=O)N[H])NC(=O)C([H])(NC(=O)CNC(=O)CNC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(C)NC(=O)CCCC(=O)OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F)C(C)CC)C(C)CC)C(=O)NC(CCCCN[H])C(=O)NC([H])(C(=O)NC(CC(C)C)C(N)=O)C(C)CC	AAPGNHGYUTUTBF-IVMONCOESA-N	.							
PDC_02057	FLCpOH-LFcinB(2-11)-NH<sub>2</sub>	24	57	"InChI=1S/C83H113F2N29O13S/c1-128-36-31-59(71(88)118)105-72(119)61(22-12-33-97-80(89)90)109-78(125)66(38-50-41-100-57-19-7-5-17-53(50)57)112-76(123)64(29-30-68(87)115)110-79(126)67(39-51-42-101-58-20-8-6-18-54(51)58)111-75(122)63(24-14-35-99-82(93)94)107-74(121)62(23-13-34-98-81(91)92)106-73(120)60(21-9-10-32-86)108-77(124)65(37-49-15-3-2-4-16-49)104-69(116)25-11-26-70(117)127-83(43-113-47-95-45-102-113,44-114-48-96-46-103-114)55-28-27-52(84)40-56(55)85/h2-8,15-20,27-28,40-42,45-48,59-67,100-101H,9-14,21-26,29-39,43-44,86H2,1H3,(H2,87,115)(H2,88,118)(H,104,116)(H,105,119)(H,106,120)(H,107,121)(H,108,124)(H,109,125)(H,110,126)(H,111,122)(H,112,123)(H4,89,90,97)(H4,91,92,98)(H4,93,94,99)/t59-,60-,61-,62-,63-,64-,65-,66-,67-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCC(=O)OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F)C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](Cc1cn([H])c2ccccc12)C(=O)N[C@@H](CCC(=O)N[H])C(=O)N[C@@H](Cc1cn([H])c2ccccc12)C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](CCSC)C(N)=O	[H]NCCCCC(NC(=O)C(Cc1ccccc1)NC(=O)CCCC(=O)OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F)C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(Cc1cn([H])c2ccccc12)C(=O)NC(CCC(=O)N[H])C(=O)NC(Cc1cn([H])c2ccccc12)C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCSC)C(N)=O	CKFZIEMLSQLDHS-VEUJIVTASA-N	.							
PDC_02058	"FLCpOH-LFcinB[Nle<sup>1,11</sup>]-NH<sub>2</sub>"	30	82	"InChI=1S/C110H163F2N35O19/c1-5-7-30-77(133-91(149)40-22-41-93(152)166-110(60-146-64-123-62-131-146,61-147-65-124-63-132-147)73-43-42-70(111)56-74(73)112)95(154)143-87(53-67-26-10-9-11-27-67)104(163)139-80(35-17-20-47-114)98(157)137-82(37-23-49-125-107(117)118)99(158)138-84(39-25-51-127-109(121)122)102(161)144-89(55-69-58-129-76-33-15-13-29-72(69)76)106(165)141-85(44-45-90(116)148)103(162)145-88(54-68-57-128-75-32-14-12-28-71(68)75)105(164)140-83(38-24-50-126-108(119)120)100(159)134-78(31-8-6-2)96(155)135-79(34-16-19-46-113)97(156)136-81(36-18-21-48-115)101(160)142-86(52-66(3)4)94(153)130-59-92(150)151/h9-15,26-29,32-33,42-43,56-58,62-66,77-89,128-129H,5-8,16-25,30-31,34-41,44-55,59-61,113-115H2,1-4H3,(H2,116,148)(H,130,153)(H,133,149)(H,134,159)(H,135,155)(H,136,156)(H,137,157)(H,138,158)(H,139,163)(H,140,164)(H,141,165)(H,142,160)(H,143,154)(H,144,161)(H,145,162)(H,150,151)(H4,117,118,125)(H4,119,120,126)(H4,121,122,127)/t77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CCCC)NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](CCC(=O)N[H])NC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC)NC(=O)CCCC(=O)OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O	[H]NCCCCC(NC(=O)C(CCCCN[H])NC(=O)C(CCCC)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(CCC(=O)N[H])NC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCCN[H])NC(=O)C(Cc1ccccc1)NC(=O)C(CCCC)NC(=O)CCCC(=O)OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F)C(=O)NC(CC(C)C)C(=O)NCC(=O)O	WSTHKFLHWOKTHN-YNKRMXNASA-N	.							
PDC_02059	FLCpOH-HLopt2-NH<sub>2</sub>	29	69	"InChI=1S/C89H134F2N32O16S2/c1-51(2)73(85(138)112-60(74(95)127)24-15-36-104-86(96)97)121-81(134)62(23-11-13-35-93)114-78(131)64(26-17-38-106-88(100)101)116-80(133)66(33-39-141-4)113-75(128)52(3)110-76(129)63(25-16-37-105-87(98)99)115-77(130)61(22-10-12-34-92)117-83(136)68(41-54-43-107-59-21-9-8-20-56(54)59)120-79(132)65(31-32-70(94)124)118-82(135)67(40-53-18-6-5-7-19-53)119-84(137)69(44-140)111-71(125)27-14-28-72(126)139-89(45-122-49-102-47-108-122,46-123-50-103-48-109-123)57-30-29-55(90)42-58(57)91/h5-9,18-21,29-30,42-43,47-52,60-69,73,107,140H,10-17,22-28,31-41,44-46,92-93H2,1-4H3,(H2,94,124)(H2,95,127)(H,110,129)(H,111,125)(H,112,138)(H,113,128)(H,114,131)(H,115,130)(H,116,133)(H,117,136)(H,118,135)(H,119,137)(H,120,132)(H,121,134)(H4,96,97,104)(H4,98,99,105)(H4,100,101,106)/t52-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,73-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](CCC(=O)N[H])NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS[H])NC(=O)CCCC(=O)OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F)C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](CCCCN[H])C(=O)N[C@H](C(=O)N[C@@H](CCC/N=C(/N)N[H])C(N)=O)C(C)C	[H]NCCCCC(NC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(CCC(=O)N[H])NC(=O)C(Cc1ccccc1)NC(=O)C(CS[H])NC(=O)CCCC(=O)OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F)C(=O)NC(CCCN=C(N)N[H])C(=O)NC(C)C(=O)NC(CCSC)C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCCCN[H])C(=O)NC(C(=O)NC(CCCN=C(N)N[H])C(N)=O)C(C)C	MHNMXLNTQKOENQ-JNROUPJWSA-N	.							
PDC_02060	BTM19-1	23	46	"InChI=1S/C68H100N16O26S/c1-34(2)22-42(61(101)76-41(10-5-15-72-67(69)70)60(100)74-38-13-11-36(12-14-38)32-110-68(107)82(4)39-23-49-40-9-7-18-83-17-6-8-37(58(40)83)31-84(49)51(111)24-39)75-50(86)33-109-21-20-108-19-16-71-59(99)43(25-52(87)88)77-63(103)45(27-54(91)92)79-65(105)47(29-56(95)96)81-66(106)48(30-57(97)98)80-64(104)46(28-55(93)94)78-62(102)44(26-53(89)90)73-35(3)85/h11-14,34,37,39-49,58H,5-10,15-33H2,1-4H3,(H,71,99)(H,73,85)(H,74,100)(H,75,86)(H,76,101)(H,77,103)(H,78,102)(H,79,105)(H,80,104)(H,81,106)(H,87,88)(H,89,90)(H,91,92)(H,93,94)(H,95,96)(H,97,98)(H4,69,70,72)/t37-,39+,40+,41-,42-,43-,44-,45-,46-,47-,48-,49+,58+/m0/s1"	[H]N/C(N)=N\CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)COCCOCCNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(=O)Nc1ccc(COC(=O)N(C)[C@H]2CC(=S)N3C[C@@H]4CCCN5CCC[C@@H]([C@@H]45)[C@H]3C2)cc1	[H]NC(N)=NCCCC(NC(=O)C(CC(C)C)NC(=O)COCCOCCNC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(C)=O)C(=O)Nc1ccc(COC(=O)N(C)C2CC(=S)N3CC4CCCN5CCCC(C45)C3C2)cc1	VQUAXWYIVCJXJC-BKSGZYALSA-N	.							
PDC_02061	BTM19-2	24	49	"InChI=1S/C70H104N16O27S/c1-36(2)24-44(63(103)78-43(10-5-15-74-69(71)72)62(102)76-40-13-11-38(12-14-40)34-113-70(109)84(4)41-25-51-42-9-7-18-85-17-6-8-39(60(42)85)33-86(51)53(114)26-41)77-52(88)35-112-23-22-111-21-20-110-19-16-73-61(101)45(27-54(89)90)79-65(105)47(29-56(93)94)81-67(107)49(31-58(97)98)83-68(108)50(32-59(99)100)82-66(106)48(30-57(95)96)80-64(104)46(28-55(91)92)75-37(3)87/h11-14,36,39,41-51,60H,5-10,15-35H2,1-4H3,(H,73,101)(H,75,87)(H,76,102)(H,77,88)(H,78,103)(H,79,105)(H,80,104)(H,81,107)(H,82,106)(H,83,108)(H,89,90)(H,91,92)(H,93,94)(H,95,96)(H,97,98)(H,99,100)(H4,71,72,74)/t39-,41+,42+,43-,44-,45-,46-,47-,48-,49-,50-,51+,60+/m0/s1"	[H]N/C(N)=N/CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)COCCOCCOCCNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(=O)Nc1ccc(COC(=O)N(C)[C@H]2CC(=S)N3C[C@@H]4CCCN5CCC[C@@H]([C@@H]45)[C@H]3C2)cc1	[H]NC(N)=NCCCC(NC(=O)C(CC(C)C)NC(=O)COCCOCCOCCNC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(C)=O)C(=O)Nc1ccc(COC(=O)N(C)C2CC(=S)N3CC4CCCN5CCCC(C45)C3C2)cc1	HHDUKNRCAQYLRN-XFGMZBDMSA-N	.							
PDC_02062	BTM19-3	25	52	"InChI=1S/C72H108N16O28S/c1-38(2)26-46(65(105)80-45(10-5-15-76-71(73)74)64(104)78-42-13-11-40(12-14-42)36-116-72(111)86(4)43-27-53-44-9-7-18-87-17-6-8-41(62(44)87)35-88(53)55(117)28-43)79-54(90)37-115-25-24-114-23-22-113-21-20-112-19-16-75-63(103)47(29-56(91)92)81-67(107)49(31-58(95)96)83-69(109)51(33-60(99)100)85-70(110)52(34-61(101)102)84-68(108)50(32-59(97)98)82-66(106)48(30-57(93)94)77-39(3)89/h11-14,38,41,43-53,62H,5-10,15-37H2,1-4H3,(H,75,103)(H,77,89)(H,78,104)(H,79,90)(H,80,105)(H,81,107)(H,82,106)(H,83,109)(H,84,108)(H,85,110)(H,91,92)(H,93,94)(H,95,96)(H,97,98)(H,99,100)(H,101,102)(H4,73,74,76)/t41-,43+,44+,45-,46-,47-,48-,49-,50-,51-,52-,53+,62+/m0/s1"	[H]N/C(N)=N/CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)COCCOCCOCCOCCNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(=O)Nc1ccc(COC(=O)N(C)[C@H]2CC(=S)N3C[C@@H]4CCCN5CCC[C@@H]([C@@H]45)[C@H]3C2)cc1	[H]NC(N)=NCCCC(NC(=O)C(CC(C)C)NC(=O)COCCOCCOCCOCCNC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(C)=O)C(=O)Nc1ccc(COC(=O)N(C)C2CC(=S)N3CC4CCCN5CCCC(C45)C3C2)cc1	FTEVUKQXHSHSKW-LINFJXTFSA-N	.							
PDC_02063	SynB3PVGLIGPTX	40	80	"InChI=1S/C136H196N32O36/c1-15-73(8)104(166-119(188)88(58-70(2)3)155-99(176)66-152-123(192)103(72(6)7)165-122(191)94-47-33-57-168(94)100(177)63-101(178)202-107(105(79-36-22-17-23-37-79)167-111(180)80-38-24-18-25-39-80)127(197)201-95-64-136(198)110(203-126(196)81-40-26-19-27-41-81)108-134(14,96(174)62-97-135(108,69-199-97)204-76(11)172)109(179)106(200-75(10)171)102(74(95)9)133(136,12)13)124(193)153-65-98(175)154-83(42-28-52-147-128(137)138)112(181)156-86(45-31-55-150-131(143)144)115(184)160-89(59-71(4)5)117(186)163-93(68-170)121(190)161-90(60-78-48-50-82(173)51-49-78)118(187)164-92(67-169)120(189)159-85(44-30-54-149-130(141)142)114(183)157-84(43-29-53-148-129(139)140)113(182)158-87(46-32-56-151-132(145)146)116(185)162-91(125(194)195)61-77-34-20-16-21-35-77/h16-27,34-41,48-51,70-73,83-97,103-108,110,169-170,173-174,198H,15,28-33,42-47,52-69H2,1-14H3,(H,152,192)(H,153,193)(H,154,175)(H,155,176)(H,156,181)(H,157,183)(H,158,182)(H,159,189)(H,160,184)(H,161,190)(H,162,185)(H,163,186)(H,164,187)(H,165,191)(H,166,188)(H,167,180)(H,194,195)(H4,137,138,147)(H4,139,140,148)(H4,141,142,149)(H4,143,144,150)(H4,145,146,151)/t73-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97+,103-,104-,105-,106+,107+,108-,110-,134+,135-,136+/m0/s1"	[H]N/C(N)=N/CCC[C@H](NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CC(=O)O[C@@H](C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](NC(=O)c1ccccc1)c1ccccc1)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO[H])C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)N[C@@H](CO[H])C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](Cc1ccccc1)C(=O)O	[H]NC(N)=NCCCC(NC(=O)CNC(=O)C([H])(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(NC(=O)C1CCCN1C(=O)CC(=O)OC(C(=O)OC1CC2(O)C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(O)C3(C)C(=O)C(OC(C)=O)C(=C1C)C2(C)C)C(NC(=O)c1ccccc1)c1ccccc1)C(C)C)C(C)CC)C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CC(C)C)C(=O)NC(CO[H])C(=O)NC(Cc1ccc(O[H])cc1)C(=O)NC(CO[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(Cc1ccccc1)C(=O)O	ZVQSPLHXEZBFEF-ZQHGKCADSA-N	.							
PDC_02064	LTP-1	53	114	"InChI=1S/C195H269N39O46S2/c1-107(2)84-134(229-184(266)148-68-46-80-233(148)156(244)102-210-183(265)147-67-47-81-234(147)185(267)133(66-45-79-205-190(201)202)221-174(256)136(86-109(5)6)215-155(243)101-209-167(249)139(92-119-69-71-125(238)72-70-119)224-182(264)145(103-235)230-180(262)143(93-123-97-206-127-61-37-36-60-126(123)127)227-181(263)144(94-124-98-203-106-211-124)228-172(254)132-73-74-152(240)213-132)166(248)208-100-154(242)214-135(85-108(3)4)173(255)212-113(12)164(246)207-99-153(241)216-140(89-116-48-24-18-25-49-116)177(259)219-128(62-38-41-75-196)168(250)217-130(64-40-43-77-198)171(253)225-142(91-118-52-28-20-29-53-118)179(261)226-141(90-117-50-26-19-27-51-117)178(260)220-131(65-44-78-204-189(199)200)169(251)218-129(63-39-42-76-197)170(252)222-137(87-110(7)8)175(257)223-138(88-111(9)10)176(258)231-146(186(268)269)104-282-281-83-82-274-191(272)278-160(158(120-54-30-21-31-55-120)232-165(247)121-56-32-22-33-57-121)188(271)277-149-96-195(273)163(279-187(270)122-58-34-23-35-59-122)161-193(17,150(239)95-151-194(161,105-275-151)280-115(14)237)162(245)159(276-114(13)236)157(112(149)11)192(195,15)16/h18-37,48-61,69-72,97-98,106-111,113,128-151,158-161,163,206,235,238-239,273H,38-47,62-68,73-96,99-105,196-198H2,1-17H3,(H,203,211)(H,207,246)(H,208,248)(H,209,249)(H,210,265)(H,212,255)(H,213,240)(H,214,242)(H,215,243)(H,216,241)(H,217,250)(H,218,251)(H,219,259)(H,220,260)(H,221,256)(H,222,252)(H,223,257)(H,224,264)(H,225,253)(H,226,261)(H,227,263)(H,228,254)(H,229,266)(H,230,262)(H,231,258)(H,232,247)(H,268,269)(H4,199,200,204)(H4,201,202,205)/t113-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151+,158-,159+,160+,161-,163-,193+,194-,195+/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](CO[H])NC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](Cc1cn([H])cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSCCOC(=O)O[C@@H](C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)O	[H]NCCCCC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C1CCCN1C(=O)CNC(=O)C1CCCN1C(=O)C(CCCN=C(N)N[H])NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(CO[H])NC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(Cc1cn([H])cn1)NC(=O)C1CCC(=O)N1)C(=O)NC(CCCCN[H])C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCCCN[H])C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CSSCCOC(=O)OC(C(=O)OC1CC2(O)C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(O)C3(C)C(=O)C(OC(C)=O)C(=C1C)C2(C)C)C(NC(=O)c1ccccc1)c1ccccc1)C(=O)O	USMPLBXTOYEARP-QQYVDUJUSA-N	.							
PDC_02065	GOXG1	26	45	"InChI=1S/C72H95F2N21O21/c1-37(2)25-47(62(106)87-46(12-7-22-80-70(76)77)68(112)94-23-8-13-52(94)67(111)82-32-57(100)101)88-60(104)44(11-5-6-21-79-56(99)31-84-115-35-58(102)114-34-53-59(103)72(73,74)69(116-53)95-24-20-54(75)93-71(95)113)86-63(107)48(26-38-14-16-41(97)17-15-38)89-66(110)51(33-96)92-64(108)49(27-39-29-81-43-10-4-3-9-42(39)43)90-65(109)50(28-40-30-78-36-83-40)91-61(105)45-18-19-55(98)85-45/h3-4,9-10,14-17,20,24,29-31,36-37,44-53,59,69,81,96-97,103H,5-8,11-13,18-19,21-23,25-28,32-35H2,1-2H3,(H,78,83)(H,79,99)(H,82,111)(H,85,98)(H,86,107)(H,87,106)(H,88,104)(H,89,110)(H,90,109)(H,91,105)(H,92,108)(H,100,101)(H2,75,93,113)(H4,76,77,80)/b84-31+/t44-,45+,46+,47+,48+,49+,50+,51+,52+,53?,59?,69?/m1/s1"	[H]N/C(N)=N/CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCCNC(=O)/C=N/OCC(=O)OCC1OC(n2ccc(N)nc2=O)C(F)(F)C1O)NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](CO[H])NC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](Cc1cn([H])cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O	[H]NC(N)=NCCCC(NC(=O)C(CC(C)C)NC(=O)C(CCCCNC(=O)C=NOCC(=O)OCC1OC(n2ccc(N)nc2=O)C(F)(F)C1O)NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(CO[H])NC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(Cc1cn([H])cn1)NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)NCC(=O)O	JAHKIEIKAINNAM-NRGMHTCCSA-N	.							
PDC_02066	GOXG2	26	45	"InChI=1S/C72H95F2N21O21/c1-37(2)25-47(62(106)87-46(12-7-22-80-70(76)77)68(112)94-23-8-13-52(94)67(111)82-32-57(101)102)88-60(104)44(11-5-6-21-79-56(100)31-84-114-35-58(103)116-59-53(34-97)115-69(72(59,73)74)95-24-20-54(75)93-71(95)113)86-63(107)48(26-38-14-16-41(98)17-15-38)89-66(110)51(33-96)92-64(108)49(27-39-29-81-43-10-4-3-9-42(39)43)90-65(109)50(28-40-30-78-36-83-40)91-61(105)45-18-19-55(99)85-45/h3-4,9-10,14-17,20,24,29-31,36-37,44-53,59,69,81,96-98H,5-8,11-13,18-19,21-23,25-28,32-35H2,1-2H3,(H,78,83)(H,79,100)(H,82,111)(H,85,99)(H,86,107)(H,87,106)(H,88,104)(H,89,110)(H,90,109)(H,91,105)(H,92,108)(H,101,102)(H2,75,93,113)(H4,76,77,80)/b84-31+/t44-,45+,46+,47+,48+,49+,50+,51+,52+,53?,59?,69?/m1/s1"	[H]N/C(N)=N/CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCCNC(=O)/C=N/OCC(=O)OC1C(CO)OC(n2ccc(N)nc2=O)C1(F)F)NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](CO[H])NC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](Cc1cn([H])cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O	[H]NC(N)=NCCCC(NC(=O)C(CC(C)C)NC(=O)C(CCCCNC(=O)C=NOCC(=O)OC1C(CO)OC(n2ccc(N)nc2=O)C1(F)F)NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(CO[H])NC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(Cc1cn([H])cn1)NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)NCC(=O)O	ZRZBCIPIYJMJFL-NRGMHTCCSA-N	.							
PDC_02067	GN4OXG	25	45	"InChI=1S/C72H95F2N21O21/c1-37(2)25-47(62(107)86-46(12-7-22-79-70(75)76)68(113)94-23-8-13-52(94)67(112)81-32-58(102)103)87-60(105)44(11-5-6-21-78-56(100)31-83-115-35-57(101)92-54-20-24-95(71(114)93-54)69-72(73,74)59(104)53(34-97)116-69)85-63(108)48(26-38-14-16-41(98)17-15-38)88-66(111)51(33-96)91-64(109)49(27-39-29-80-43-10-4-3-9-42(39)43)89-65(110)50(28-40-30-77-36-82-40)90-61(106)45-18-19-55(99)84-45/h3-4,9-10,14-17,20,24,29-31,36-37,44-53,59,69,80,96-98,104H,5-8,11-13,18-19,21-23,25-28,32-35H2,1-2H3,(H,77,82)(H,78,100)(H,81,112)(H,84,99)(H,85,108)(H,86,107)(H,87,105)(H,88,111)(H,89,110)(H,90,106)(H,91,109)(H,102,103)(H4,75,76,79)(H,92,93,101,114)/b83-31+/t44-,45+,46+,47+,48+,49+,50+,51+,52+,53?,59?,69?/m1/s1"	[H]N/C(N)=N/CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCCNC(=O)/C=N/OCC(=O)Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1)NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](CO[H])NC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](Cc1cn([H])cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O	[H]NC(N)=NCCCC(NC(=O)C(CC(C)C)NC(=O)C(CCCCNC(=O)C=NOCC(=O)Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1)NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(CO[H])NC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(Cc1cn([H])cn1)NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)NCC(=O)O	FGRYUOVXNRIIPT-IXLJOYMUSA-N	.							
PDC_02068	CRB-FFFK-cyclen	11	30	"InChI=1S/C57H78Cl2N10O7/c58-26-35-69(36-27-59)47-24-22-43(23-25-47)19-12-21-52(70)64-49(39-44-13-4-1-5-14-44)54(72)66-51(41-46-17-8-3-9-18-46)56(74)67-50(40-45-15-6-2-7-16-45)55(73)65-48(57(75)76)20-10-11-28-63-53(71)42-68-37-33-61-31-29-60-30-32-62-34-38-68/h1-9,13-18,22-25,48-51,60-62H,10-12,19-21,26-42H2,(H,63,71)(H,64,70)(H,65,73)(H,66,72)(H,67,74)(H,75,76)/t48-,49-,50-,51-/m0/s1"	O=C(CN1CCNCCNCCNCC1)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCc1ccc(N(CCCl)CCCl)cc1)C(=O)O	O=C(CN1CCNCCNCCNCC1)NCCCCC(NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)CCCc1ccc(N(CCCl)CCCl)cc1)C(=O)O	IEQFCFGQQCRETM-KBQHETQHSA-N	.							
PDC_02069	PDC-DOX2	36	59	"InChI=1S/C118H152N18O35/c1-9-57(4)97(113(161)127-53-86(145)131-73(43-56(2)3)110(158)134-74(44-60-25-11-10-12-26-60)111(159)132-69(32-23-41-124-115(119)120)108(156)135-75(45-61-52-126-67-30-14-13-27-62(61)67)112(160)133-70(114(162)163)33-24-42-125-116(121)122)136-109(157)68(128-83(142)37-17-18-39-85(144)130-72-47-88(169-59(6)99(72)147)171-79-51-118(165,81(140)55-138)49-66-92(79)107(155)96-94(103(66)151)101(149)64-29-22-35-77(167-8)90(64)105(96)153)31-19-20-40-123-82(141)36-15-16-38-84(143)129-71-46-87(168-58(5)98(71)146)170-78-50-117(164,80(139)54-137)48-65-91(78)106(154)95-93(102(65)150)100(148)63-28-21-34-76(166-7)89(63)104(95)152/h10-14,21-22,25-30,34-35,52,56-59,68-75,78-79,87-88,97-99,126,137-138,146-147,150-151,154-155,164-165H,9,15-20,23-24,31-33,36-51,53-55H2,1-8H3,(H,123,141)(H,127,161)(H,128,142)(H,129,143)(H,130,144)(H,131,145)(H,132,159)(H,133,160)(H,134,158)(H,135,156)(H,136,157)(H,162,163)(H4,119,120,124)(H4,121,122,125)/t57-,58-,59-,68-,69-,70-,71-,72-,73-,74-,75-,78-,79-,87-,88-,97-,98+,99+,117-,118-/m0/s1"	[H]N/C(N)=N/CCC[C@H](NC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@H](CCCCNC(=O)CCCCC(=O)N[C@H]1C[C@H](O[C@H]2C[C@](O)(C(=O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)O[C@@H](C)[C@H]1O)NC(=O)CCCCC(=O)N[C@H]1C[C@H](O[C@H]2C[C@](O)(C(=O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)O[C@@H](C)[C@H]1O)[C@@H](C)CC)C(=O)O	[H]NC(N)=NCCCC(NC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C([H])(NC(=O)C(CCCCNC(=O)CCCCC(=O)NC1CC(OC2CC(O)(C(=O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)OC(C)C1O)NC(=O)CCCCC(=O)NC1CC(OC2CC(O)(C(=O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)OC(C)C1O)C(C)CC)C(=O)O	PTUDQKYUKWHRNL-QFTNVPHWSA-N	.							
PDC_02070	HA@PDC-DOX2	161	112	"InChI=1S/C226H310N16O177/c1-35(259)227-67-131(355-17)83(275)51(19-243)357-195(67)388-148-100(292)116(308)212(405-164(148)180(325)326)374-133-69(229-37(3)261)197(359-53(21-245)85(133)277)390-150-102(294)118(310)214(407-166(150)182(329)330)376-135-71(231-39(5)263)199(361-55(23-247)87(135)279)392-152-104(296)120(312)216(409-168(152)184(333)334)378-137-73(233-41(7)265)201(363-57(25-249)89(137)281)394-154-106(298)122(314)218(411-170(154)186(337)338)380-139-75(235-43(9)267)203(365-59(27-251)91(139)283)396-156-108(300)124(316)220(413-172(156)188(341)342)382-141-77(237-45(11)269)205(367-61(29-253)93(141)285)398-158-110(302)126(318)222(415-174(158)190(345)346)384-143-79(239-47(13)271)207(369-63(31-255)95(143)287)400-160-112(304)128(320)224(417-176(160)192(349)350)386-145-81(241-49(15)273)209(371-65(33-257)97(145)289)402-162-114(306)130(322)226(419-178(162)194(353)354)387-146-82(242-50(16)274)210(372-66(34-258)98(146)290)403-161-113(305)129(321)225(418-177(161)193(351)352)385-144-80(240-48(14)272)208(370-64(32-256)96(144)288)401-159-111(303)127(319)223(416-175(159)191(347)348)383-142-78(238-46(12)270)206(368-62(30-254)94(142)286)399-157-109(301)125(317)221(414-173(157)189(343)344)381-140-76(236-44(10)268)204(366-60(28-252)92(140)284)397-155-107(299)123(315)219(412-171(155)187(339)340)379-138-74(234-42(8)266)202(364-58(26-250)90(138)282)395-153-105(297)121(313)217(410-169(153)185(335)336)377-136-72(232-40(6)264)200(362-56(24-248)88(136)280)393-151-103(295)119(311)215(408-167(151)183(331)332)375-134-70(230-38(4)262)198(360-54(22-246)86(134)278)391-149-101(293)117(309)213(406-165(149)181(327)328)373-132-68(228-36(2)260)196(358-52(20-244)84(132)276)389-147-99(291)115(307)211(356-18)404-163(147)179(323)324/h51-98,115-178,195-226,243-258,275-290,307-322H,19-34H2,1-18H3,(H,227,259)(H,228,260)(H,229,261)(H,230,262)(H,231,263)(H,232,264)(H,233,265)(H,234,266)(H,235,267)(H,236,268)(H,237,269)(H,238,270)(H,239,271)(H,240,272)(H,241,273)(H,242,274)(H,323,324)(H,325,326)(H,327,328)(H,329,330)(H,331,332)(H,333,334)(H,335,336)(H,337,338)(H,339,340)(H,341,342)(H,343,344)(H,345,346)(H,347,348)(H,349,350)(H,351,352)(H,353,354)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132+,133+,134+,135+,136+,137+,138+,139+,140+,141+,142+,143+,144+,145+,146+,147+,148+,149+,150+,151+,152+,153+,154+,155+,156+,157+,158+,159+,160+,161+,162+,163+,164+,165+,166+,167+,168+,169+,170+,171+,172+,173+,174+,175+,176+,177+,178+,195+,196+,197+,198+,199+,200+,201+,202+,203+,204+,205+,206+,207+,208+,209+,210+,211-,212-,213-,214-,215-,216-,217-,218-,219-,220-,221-,222-,223-,224-,225-,226-/m1/s1"	CO[C@@H]1O[C@H](C(=O)O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@@H](O[C@@H]7O[C@H](C(=O)O)[C@@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@@H](O[C@@H]9O[C@H](C(=O)O)[C@@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@@H](O[C@@H]%11O[C@H](C(=O)O)[C@@H](O[C@@H]%12O[C@H](CO)[C@@H](O)[C@@H](O[C@@H]%13O[C@H](C(=O)O)[C@@H](O[C@@H]%14O[C@H](CO)[C@@H](O)[C@@H](O[C@@H]%15O[C@H](C(=O)O)[C@@H](O[C@@H]%16O[C@H](CO)[C@@H](O)[C@@H](O[C@@H]%17O[C@H](C(=O)O)[C@@H](O[C@@H]%18O[C@H](CO)[C@@H](O)[C@@H](O[C@@H]%19O[C@H](C(=O)O)[C@@H](O[C@@H]%20O[C@H](CO)[C@@H](O)[C@@H](O[C@@H]%21O[C@H](C(=O)O)[C@@H](O[C@@H]%22O[C@H](CO)[C@@H](O)[C@@H](O[C@@H]%23O[C@H](C(=O)O)[C@@H](O[C@@H]%24O[C@H](CO)[C@@H](O)[C@@H](O[C@@H]%25O[C@H](C(=O)O)[C@@H](O[C@@H]%26O[C@H](CO)[C@@H](O)[C@@H](O[C@@H]%27O[C@H](C(=O)O)[C@@H](O[C@@H]%28O[C@H](CO)[C@@H](O)[C@@H](O[C@@H]%29O[C@H](C(=O)O)[C@@H](O[C@@H]%30O[C@H](CO)[C@@H](O)[C@@H](O[C@@H]%31O[C@H](C(=O)O)[C@@H](O[C@@H]%32O[C@H](CO)[C@@H](O)[C@H](OC)[C@H]%32NC(C)=O)C(=O)[C@H]%31O)[C@H]%30NC(C)=O)C(=O)[C@H]%29O)[C@H]%28NC(C)=O)C(=O)[C@H]%27O)[C@H]%26NC(C)=O)C(=O)[C@H]%25O)[C@H]%24NC(C)=O)C(=O)[C@H]%23O)[C@H]%22NC(C)=O)C(=O)[C@H]%21O)[C@H]%20NC(C)=O)C(=O)[C@H]%19O)[C@H]%18NC(C)=O)C(=O)[C@H]%17O)[C@H]%16NC(C)=O)C(=O)[C@H]%15O)[C@H]%14NC(C)=O)C(=O)[C@H]%13O)[C@H]%12NC(C)=O)C(=O)[C@H]%11O)[C@H]%10NC(C)=O)C(=O)[C@H]9O)[C@H]8NC(C)=O)C(=O)[C@H]7O)[C@H]6NC(C)=O)C(=O)[C@H]5O)[C@H]4NC(C)=O)C(=O)[C@H]3O)[C@H]2NC(C)=O)C(=O)[C@H]1O	COC1OC(C(=O)O)C(OC2OC(CO)C(O)C(OC3OC(C(=O)O)C(OC4OC(CO)C(O)C(OC5OC(C(=O)O)C(OC6OC(CO)C(O)C(OC7OC(C(=O)O)C(OC8OC(CO)C(O)C(OC9OC(C(=O)O)C(OC%10OC(CO)C(O)C(OC%11OC(C(=O)O)C(OC%12OC(CO)C(O)C(OC%13OC(C(=O)O)C(OC%14OC(CO)C(O)C(OC%15OC(C(=O)O)C(OC%16OC(CO)C(O)C(OC%17OC(C(=O)O)C(OC%18OC(CO)C(O)C(OC%19OC(C(=O)O)C(OC%20OC(CO)C(O)C(OC%21OC(C(=O)O)C(OC%22OC(CO)C(O)C(OC%23OC(C(=O)O)C(OC%24OC(CO)C(O)C(OC%25OC(C(=O)O)C(OC%26OC(CO)C(O)C(OC%27OC(C(=O)O)C(OC%28OC(CO)C(O)C(OC%29OC(C(=O)O)C(OC%30OC(CO)C(O)C(OC%31OC(C(=O)O)C(OC%32OC(CO)C(O)C(OC)C%32NC(C)=O)C(=O)C%31O)C%30NC(C)=O)C(=O)C%29O)C%28NC(C)=O)C(=O)C%27O)C%26NC(C)=O)C(=O)C%25O)C%24NC(C)=O)C(=O)C%23O)C%22NC(C)=O)C(=O)C%21O)C%20NC(C)=O)C(=O)C%19O)C%18NC(C)=O)C(=O)C%17O)C%16NC(C)=O)C(=O)C%15O)C%14NC(C)=O)C(=O)C%13O)C%12NC(C)=O)C(=O)C%11O)C%10NC(C)=O)C(=O)C9O)C8NC(C)=O)C(=O)C7O)C6NC(C)=O)C(=O)C5O)C4NC(C)=O)C(=O)C3O)C2NC(C)=O)C(=O)C1O	YHRAIPIGQCVUTH-ZOZKKZQKSA-N	.							
PDC_02071	SMAC-FRRG-DOX	25	41	"InChI=1S/C77H110N18O22/c1-9-36(4)60(94-72(111)48-22-16-28-95(48)74(113)59(35(2)3)93-66(105)37(5)78)73(112)87-38(6)67(106)89-45(24-25-52(79)98)70(109)92-47(29-40-17-11-10-12-18-40)71(110)91-44(21-15-27-85-76(82)83)69(108)90-43(20-14-26-84-75(80)81)68(107)86-33-53(99)88-46-30-54(116-39(7)61(46)100)117-50-32-77(114,51(97)34-96)31-42-56(50)65(104)58-57(63(42)102)62(101)41-19-13-23-49(115-8)55(41)64(58)103/h10-13,17-19,23,35-39,43-48,50,54,59-61,96,100,102,104,114H,9,14-16,20-22,24-34,78H2,1-8H3,(H2,79,98)(H,86,107)(H,87,112)(H,88,99)(H,89,106)(H,90,108)(H,91,110)(H,92,109)(H,93,105)(H,94,111)(H4,80,81,84)(H4,82,83,85)/t36-,37-,38-,39-,43-,44-,45-,46-,47-,48-,50-,54-,59-,60-,61+,77-/m0/s1"	[H]NC(=O)CC[C@H](NC(=O)[C@H](C)NC(=O)[C@@]([H])(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N[H])C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)NCC(=O)N[C@H]1C[C@H](O[C@H]2C[C@](O)(C(=O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)O[C@@H](C)[C@H]1O	[H]NC(=O)CCC(NC(=O)C(C)NC(=O)C([H])(NC(=O)C1CCCN1C(=O)C(NC(=O)C(C)N[H])C(C)C)C(C)CC)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NCC(=O)NC1CC(OC2CC(O)(C(=O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)OC(C)C1O	OANBQTNMTXTKMC-MCHUXOGVSA-N	.							
PDC_02072	R-L-HCPT	44	107	"InChI=1S/C155H231N49O36S/c1-14-81(8)121(143(232)182-84(11)125(214)187-100(41-28-57-173-150(160)161)129(218)194-105(50-52-118(208)209)134(223)190-103(44-31-60-176-153(166)167)132(221)196-108(63-79(4)5)137(226)193-102(43-30-59-175-152(164)165)130(219)195-106(51-53-119(210)211)135(224)199-112(70-91-73-170-78-180-91)140(229)200-113(146(235)236)64-80(6)7)202-141(230)110(66-87-35-21-18-22-36-87)197-131(220)101(42-29-58-174-151(162)163)188-126(215)85(12)183-144(233)122(82(9)15-2)203-142(231)114(76-205)201-133(222)104(45-32-61-177-154(168)169)191-136(225)107(54-62-241-13)189-124(213)83(10)181-128(217)99(40-27-56-172-149(158)159)192-138(227)109(65-86-33-19-17-20-34-86)198-139(228)111(69-89-72-178-97-38-24-23-37-93(89)97)185-117(207)74-179-127(216)98(39-26-55-171-148(156)157)184-116(206)46-25-47-120(212)240-92-48-49-96-88(68-92)67-90-75-204-115(123(90)186-96)71-95-94(145(204)234)77-239-147(237)155(95,238)16-3/h17-24,33-38,48-49,67-68,71-73,78-85,98-114,121-122,178,205,238H,14-16,25-32,39-47,50-66,69-70,74-77H2,1-13H3,(H,170,180)(H,179,216)(H,181,217)(H,182,232)(H,183,233)(H,184,206)(H,185,207)(H,187,214)(H,188,215)(H,189,213)(H,190,223)(H,191,225)(H,192,227)(H,193,226)(H,194,218)(H,195,219)(H,196,221)(H,197,220)(H,198,228)(H,199,224)(H,200,229)(H,201,222)(H,202,230)(H,203,231)(H,208,209)(H,210,211)(H,235,236)(H4,156,157,171)(H4,158,159,172)(H4,160,161,173)(H4,162,163,174)(H4,164,165,175)(H4,166,167,176)(H4,168,169,177)/t81-,82-,83-,84-,85-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,121-,122-,155-/m0/s1"	[H]N/C(N)=N\CCC[C@H](NC(=O)CCCC(=O)Oc1ccc2nc3c(cc2c1)Cn1c-3cc2c(c1=O)COC(=O)[C@]2(O)CC)C(=O)NCC(=O)N[C@@H](Cc1cn([H])c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](CO[H])C(=O)N[C@]([H])(C(=O)N[C@@H](C)C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@]([H])(C(=O)N[C@@H](C)C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cn([H])cn1)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC)[C@@H](C)CC	[H]NC(N)=NCCCC(NC(=O)CCCC(=O)Oc1ccc2nc3c(cc2c1)Cn1c-3cc2c(c1=O)COC(=O)C2(O)CC)C(=O)NCC(=O)NC(Cc1cn([H])c2ccccc12)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCN=C(N)N[H])C(=O)NC(C)C(=O)NC(CCSC)C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CO[H])C(=O)NC([H])(C(=O)NC(C)C(=O)NC(CCCN=C(N)N[H])C(=O)NC(Cc1ccccc1)C(=O)NC([H])(C(=O)NC(C)C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCC(=O)O)C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCC(=O)O)C(=O)NC(Cc1cn([H])cn1)C(=O)NC(CC(C)C)C(=O)O)C(C)CC)C(C)CC	KGVRGTXMBXCPPT-VJXLMOBDSA-N	.							
PDC_02073	diCPTiRGD	40	41	"InChI=1S/C97H119N21O31S6/c1-5-96(57-35-71-77-53(33-51-17-7-9-19-59(51)108-77)41-117(71)88(136)55(57)43-146-91(96)140)148-94(142)144-29-31-150-152-45-66(105-49(3)119)81(129)101-26-14-12-22-63(112-85(133)67(106-50(4)120)46-153-151-32-30-145-95(143)149-97(6-2)58-36-72-78-54(34-52-18-8-10-20-60(52)109-78)42-118(72)89(137)56(58)44-147-92(97)141)82(130)114-68-47-154-155-48-69(90(138)139)115-84(132)65(38-76(125)126)113-87(135)70-24-16-28-116(70)74(122)40-104-80(128)61(21-11-13-25-98)110-83(131)64(37-75(123)124)107-73(121)39-103-79(127)62(111-86(68)134)23-15-27-102-93(99)100/h7-10,17-20,33-36,61-70H,5-6,11-16,21-32,37-48,98H2,1-4H3,(H,101,129)(H,103,127)(H,104,128)(H,105,119)(H,106,120)(H,107,121)(H,110,131)(H,111,134)(H,112,133)(H,113,135)(H,114,130)(H,115,132)(H,123,124)(H,125,126)(H,138,139)(H4,99,100,102)/t61-,62-,63?,64-,65-,66-,67?,68-,69-,70-,96-,97-/m0/s1"	CC[C@@]1(OC(=O)OCCSSCC(NC(C)=O)C(=O)NC(CCCCNC(=O)[C@H](CSSCCOC(=O)O[C@]2(CC)C(=O)OCc3c2cc2n(c3=O)Cc3cc4ccccc4nc3-2)NC(C)=O)C(=O)N[C@H]2CSSC[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]3CCCN3C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC2=O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	CCC1(OC(=O)OCCSSCC(NC(C)=O)C(=O)NCCCCC(NC(=O)C(CSSCCOC(=O)OC2(CC)C(=O)OCc3c2cc2n(c3=O)Cc3cc4ccccc4nc3-2)NC(C)=O)C(=O)NC2CSSCC(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C(=O)CNC(=O)C(CCCCN)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N)NC2=O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	GAELKMVQBHAYLN-WONPNIRGSA-N	.							
PDC_02074	FDPC-NPs	24	45	"InChI=1S/C83H114N18O21/c1-7-42(4)68(101-75(113)49(84)22-13-14-29-90-60(104)27-28-61(105)95-53-35-63(121-43(5)69(53)107)122-58-37-83(119,59(103)40-102)36-48-65(58)73(111)67-66(71(48)109)70(108)47-21-15-26-57(120-6)64(47)72(67)110)80(118)94-39-62(106)96-54(32-41(2)3)77(115)99-55(33-44-18-9-8-10-19-44)78(116)98-52(25-17-31-92-82(88)89)76(114)100-56(34-45-38-93-50-23-12-11-20-46(45)50)79(117)97-51(74(85)112)24-16-30-91-81(86)87/h8-12,15,18-21,23,26,38,41-43,49,51-56,58,63,68-69,93,102,107,109,111,119H,7,13-14,16-17,22,24-25,27-37,39-40,84H2,1-6H3,(H2,85,112)(H,90,104)(H,94,118)(H,95,105)(H,96,106)(H,97,117)(H,98,116)(H,99,115)(H,100,114)(H,101,113)(H4,86,87,91)(H4,88,89,92)/t42-,43-,49-,51-,52-,53-,54-,55-,56-,58-,63-,68-,69+,83-/m0/s1"	[H]N/C(N)=N/CCC[C@H](NC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@@H](N)CCCCNC(=O)CCC(=O)N[C@H]1C[C@H](O[C@H]2C[C@](O)(C(=O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)O[C@@H](C)[C@H]1O)[C@@H](C)CC)C(N)=O	[H]NC(N)=NCCCC(NC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C([H])(NC(=O)C(N)CCCCNC(=O)CCC(=O)NC1CC(OC2CC(O)(C(=O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)OC(C)C1O)C(C)CC)C(N)=O	ZPIXOLDOFWYYBV-UYUPNCRHSA-N	.							
PDC_02075	DPV1047-E-Dox	50	102	"InChI=1S/C141H228N42O39S3/c1-65(2)51-86(164-96(186)60-162-116(197)78(32-22-43-157-136(146)147)165-117(198)80(31-18-20-42-143)170-129(210)105(67(5)6)179-127(208)90(62-223)176-115(196)77(145)63-225-94-56-97(187)183(134(94)215)49-28-39-99(190)220-61-95(185)141(218)57-75-102(93(58-141)222-100-54-76(144)110(191)72(14)221-100)114(195)104-103(112(75)193)111(192)74-29-21-38-92(219-15)101(74)113(104)194)123(204)166-79(30-17-19-41-142)119(200)173-87(52-66(3)4)124(205)167-81(33-23-44-158-137(148)149)120(201)174-88(53-73-59-156-64-163-73)125(206)178-106(68(7)8)130(211)172-85(36-26-47-161-140(154)155)133(214)182-48-27-37-91(182)128(209)169-83(35-25-46-160-139(152)153)122(203)177-107(69(9)10)131(212)181-109(71(13)184)132(213)171-82(34-24-45-159-138(150)151)118(199)168-84(40-50-224-16)121(202)175-89(55-98(188)189)126(207)180-108(70(11)12)135(216)217/h21,29,38,59,64-72,76-91,93-94,100,105-110,184,191,193,195,218,223H,17-20,22-28,30-37,39-58,60-63,142-145H2,1-16H3,(H,156,163)(H,162,197)(H,164,186)(H,165,198)(H,166,204)(H,167,205)(H,168,199)(H,169,209)(H,170,210)(H,171,213)(H,172,211)(H,173,200)(H,174,201)(H,175,202)(H,176,196)(H,177,203)(H,178,206)(H,179,208)(H,180,207)(H,181,212)(H,188,189)(H,216,217)(H4,146,147,157)(H4,148,149,158)(H4,150,151,159)(H4,152,153,160)(H4,154,155,161)/t71-,72+,76+,77?,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,93+,94?,100+,105+,106+,107+,108+,109+,110-,141+/m1/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CCCCN[H])NC(=O)[C@@H](NC(=O)[C@H](CS[H])NC(=O)C(N)CSC1CC(=O)N(CCCC(=O)OCC(=O)[C@]2(O)Cc3c(O)c4c(c(O)c3[C@@H](O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C2)C(=O)c2c(OC)cccc2C4=O)C1=O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](Cc1cn([H])cn1)C(=O)N[C@H](C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@H](C(=O)N[C@]([H])(C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O[H])C(C)C)C(C)C	[H]NCCCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCCN[H])NC(=O)C(NC(=O)C(CS[H])NC(=O)C(N)CSC1CC(=O)N(CCCC(=O)OCC(=O)C2(O)Cc3c(O)c4c(c(O)c3C(OC3CC(N)C(O)C(C)O3)C2)C(=O)c2c(OC)cccc2C4=O)C1=O)C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N[H])C(=O)NC(Cc1cn([H])cn1)C(=O)NC(C(=O)NC(CCCN=C(N)N[H])C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N[H])C(=O)NC(C(=O)NC([H])(C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(C(=O)O)C(C)C)C(C)O[H])C(C)C)C(C)C	ZCJSFVPVAPFJBK-YDXPNZDYSA-N	.							
PDC_02076	DPV10-E-Dox	43	75	"InChI=1S/C104H159N35O34S2/c1-46(2)30-59(86(155)123-37-70(144)127-61(39-140)87(156)124-38-71(145)128-64(43-174)98(167)168)134-93(162)60(31-49-36-117-45-125-49)135-91(160)58(19-11-27-122-103(115)116)133-95(164)65-20-12-28-138(65)96(165)63(41-142)137-92(161)57(18-10-26-121-102(113)114)131-89(158)55(16-8-24-119-100(109)110)129-84(153)47(3)126-88(157)54(15-7-23-118-99(107)108)130-90(159)56(17-9-25-120-101(111)112)132-94(163)62(40-141)136-85(154)53(106)44-175-68-33-72(146)139(97(68)166)29-13-22-73(147)171-42-69(143)104(169)34-51-76(67(35-104)173-74-32-52(105)79(148)48(4)172-74)83(152)78-77(81(51)150)80(149)50-14-6-21-66(170-5)75(50)82(78)151/h6,14,21,36,45-48,52-65,67-68,74,79,140-142,148,150,152,169,174H,7-13,15-20,22-35,37-44,105-106H2,1-5H3,(H,117,125)(H,123,155)(H,124,156)(H,126,157)(H,127,144)(H,128,145)(H,129,153)(H,130,159)(H,131,158)(H,132,163)(H,133,164)(H,134,162)(H,135,160)(H,136,154)(H,137,161)(H,167,168)(H4,107,108,118)(H4,109,110,119)(H4,111,112,120)(H4,113,114,121)(H4,115,116,122)/t47-,48-,52-,53?,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,67-,68?,74-,79+,104-/m0/s1"	[H]N/C(N)=N/CCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CO[H])NC(=O)C(N)CSC1CC(=O)N(CCCC(=O)OCC(=O)[C@]2(O)Cc3c(O)c4c(c(O)c3[C@@H](O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C2)C(=O)c2c(OC)cccc2C4=O)C1=O)C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](CO[H])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](Cc1cn([H])cn1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CO[H])C(=O)NCC(=O)N[C@@H](CS[H])C(=O)O	[H]NC(N)=NCCCC(NC(=O)C(C)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CO[H])NC(=O)C(N)CSC1CC(=O)N(CCCC(=O)OCC(=O)C2(O)Cc3c(O)c4c(c(O)c3C(OC3CC(N)C(O)C(C)O3)C2)C(=O)c2c(OC)cccc2C4=O)C1=O)C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CO[H])C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N[H])C(=O)NC(Cc1cn([H])cn1)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CO[H])C(=O)NCC(=O)NC(CS[H])C(=O)O	PVPHEPWGVKYWNG-XEBKCHTISA-N	.							
PDC_02077	DPV7b-E-Dox	49	106	"InChI=1S/C127H212N40O35S2/c1-66(2)54-83(108(182)151-61-93(172)153-73(28-6-13-42-129)109(183)156-78(33-11-18-47-134)115(189)162-82(37-23-51-148-126(143)144)120(194)166-52-24-38-86(166)119(193)161-81(36-22-50-147-125(141)142)116(190)164-84(62-168)118(192)160-80(35-21-49-146-124(139)140)117(191)165-85(64-203)122(196)197)163-111(185)75(30-8-15-44-131)154-92(171)60-150-107(181)72(27-5-12-41-128)155-112(186)76(31-9-16-45-132)157-113(187)77(32-10-17-46-133)158-114(188)79(34-20-48-145-123(137)138)159-110(184)74(29-7-14-43-130)152-91(170)59-149-106(180)71(136)65-204-89-56-94(173)167(121(89)195)53-25-40-95(174)200-63-90(169)127(198)57-69-98(88(58-127)202-96-55-70(135)101(175)67(3)201-96)105(179)100-99(103(69)177)102(176)68-26-19-39-87(199-4)97(68)104(100)178/h19,26,39,66-67,70-86,88-89,96,101,168,175,177,179,198,203H,5-18,20-25,27-38,40-65,128-136H2,1-4H3,(H,149,180)(H,150,181)(H,151,182)(H,152,170)(H,153,172)(H,154,171)(H,155,186)(H,156,183)(H,157,187)(H,158,188)(H,159,184)(H,160,192)(H,161,193)(H,162,189)(H,163,185)(H,164,190)(H,165,191)(H,196,197)(H4,137,138,145)(H4,139,140,146)(H4,141,142,147)(H4,143,144,148)/t67-,70-,71?,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,88-,89?,96-,101+,127-/m0/s1"	[H]NCCCC[C@H](NC(=O)CNC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CCCCN[H])NC(=O)CNC(=O)C(N)CSC1CC(=O)N(CCCC(=O)OCC(=O)[C@]2(O)Cc3c(O)c4c(c(O)c3[C@@H](O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C2)C(=O)c2c(OC)cccc2C4=O)C1=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](CO[H])C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](CS[H])C(=O)O	[H]NCCCCC(NC(=O)CNC(=O)C(CCCCN[H])NC(=O)C(CCCCN[H])NC(=O)C(CCCCN[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCCN[H])NC(=O)CNC(=O)C(N)CSC1CC(=O)N(CCCC(=O)OCC(=O)C2(O)Cc3c(O)c4c(c(O)c3C(OC3CC(N)C(O)C(C)O3)C2)C(=O)c2c(OC)cccc2C4=O)C1=O)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCCCN[H])C(=O)NC(CCCCN[H])C(=O)NC(CCCN=C(N)N[H])C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CO[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CS[H])C(=O)O	SKBNEXZKVRULRO-XUKRTUFQSA-N	.							
PDC_02078	DPV10-TE-Dox	39	70	"InChI=1S/C96H150N34O30S2/c1-42(2)27-55(79(144)115-33-65(135)119-57(35-131)80(145)116-34-66(136)120-60(38-161)90(155)156)126-86(151)56(28-45-32-109-41-117-45)127-84(149)54(18-11-25-114-95(107)108)125-88(153)61-19-12-26-130(61)89(154)59(37-133)129-85(150)53(17-10-24-113-94(105)106)123-82(147)51(15-8-22-111-92(101)102)121-77(142)43(3)118-81(146)50(14-7-21-110-91(99)100)122-83(148)52(16-9-23-112-93(103)104)124-87(152)58(36-132)128-78(143)49(98)39-162-40-64(134)96(157)30-47-69(63(31-96)160-67-29-48(97)72(137)44(4)159-67)76(141)71-70(74(47)139)73(138)46-13-6-20-62(158-5)68(46)75(71)140/h6,13,20,32,41-44,48-61,63,67,72,131-133,137,139,141,157,161H,7-12,14-19,21-31,33-40,97-98H2,1-5H3,(H,109,117)(H,115,144)(H,116,145)(H,118,146)(H,119,135)(H,120,136)(H,121,142)(H,122,148)(H,123,147)(H,124,152)(H,125,153)(H,126,151)(H,127,149)(H,128,143)(H,129,150)(H,155,156)(H4,99,100,110)(H4,101,102,111)(H4,103,104,112)(H4,105,106,113)(H4,107,108,114)/t43-,44-,48-,49?,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,63-,67-,72+,96-/m0/s1"	[H]N/C(N)=N\CCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CO[H])NC(=O)C(N)CSCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O)C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](CO[H])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](Cc1cn([H])cn1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CO[H])C(=O)NCC(=O)N[C@@H](CS[H])C(=O)O	[H]NC(N)=NCCCC(NC(=O)C(C)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CO[H])NC(=O)C(N)CSCC(=O)C1(O)Cc2c(O)c3c(c(O)c2C(OC2CC(N)C(O)C(C)O2)C1)C(=O)c1c(OC)cccc1C3=O)C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CO[H])C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N[H])C(=O)NC(Cc1cn([H])cn1)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CO[H])C(=O)NCC(=O)NC(CS[H])C(=O)O	QPBWYVUMKXOHMU-HWNVEBMQSA-N	.							
PDC_02079	DPV7b-TE-Dox	45	101	"InChI=1S/C119H203N39O31S2/c1-62(2)51-79(101(171)143-57-88(163)145-69(27-6-13-40-121)102(172)148-74(32-11-18-45-126)108(178)154-78(36-23-49-140-118(135)136)113(183)158-50-24-37-82(158)112(182)153-77(35-22-48-139-117(133)134)109(179)156-80(58-159)111(181)152-76(34-21-47-138-116(131)132)110(180)157-81(59-190)114(184)185)155-104(174)71(29-8-15-42-123)146-87(162)56-142-100(170)68(26-5-12-39-120)147-105(175)72(30-9-16-43-124)149-106(176)73(31-10-17-44-125)150-107(177)75(33-20-46-137-115(129)130)151-103(173)70(28-7-14-41-122)144-86(161)55-141-99(169)67(128)60-191-61-85(160)119(186)53-65-91(84(54-119)189-89-52-66(127)94(164)63(3)188-89)98(168)93-92(96(65)166)95(165)64-25-19-38-83(187-4)90(64)97(93)167/h19,25,38,62-63,66-82,84,89,94,159,164,166,168,186,190H,5-18,20-24,26-37,39-61,120-128H2,1-4H3,(H,141,169)(H,142,170)(H,143,171)(H,144,161)(H,145,163)(H,146,162)(H,147,175)(H,148,172)(H,149,176)(H,150,177)(H,151,173)(H,152,181)(H,153,182)(H,154,178)(H,155,174)(H,156,179)(H,157,180)(H,184,185)(H4,129,130,137)(H4,131,132,138)(H4,133,134,139)(H4,135,136,140)/t63-,66-,67?,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,84-,89-,94+,119-/m0/s1"	[H]NCCCC[C@H](NC(=O)CNC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CCCCN[H])NC(=O)CNC(=O)C(N)CSCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](CO[H])C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](CS[H])C(=O)O	[H]NCCCCC(NC(=O)CNC(=O)C(CCCCN[H])NC(=O)C(CCCCN[H])NC(=O)C(CCCCN[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCCN[H])NC(=O)CNC(=O)C(N)CSCC(=O)C1(O)Cc2c(O)c3c(c(O)c2C(OC2CC(N)C(O)C(C)O2)C1)C(=O)c1c(OC)cccc1C3=O)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCCCN[H])C(=O)NC(CCCCN[H])C(=O)NC(CCCN=C(N)N[H])C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CO[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CS[H])C(=O)O	QRROQCSVKDHSJV-OGBRVIOQSA-N	.							
PDC_02080	DPV1047-A-Dox	49	102	"InChI=1S/C141H228N42O39S3/c1-65(2)51-86(164-97(188)60-161-116(198)77(32-22-43-156-136(145)146)165-117(199)79(31-18-20-42-143)170-129(211)105(67(5)6)179-127(209)90(62-223)176-115(197)76(144)63-225-94-56-98(189)183(134(94)216)49-28-39-96(187)163-85-55-100(221-72(14)110(85)192)222-93-58-141(219,95(186)61-184)57-75-102(93)114(196)104-103(112(75)194)111(193)74-29-21-38-92(220-15)101(74)113(104)195)123(205)166-78(30-17-19-41-142)119(201)173-87(52-66(3)4)124(206)167-80(33-23-44-157-137(147)148)120(202)174-88(53-73-59-155-64-162-73)125(207)178-106(68(7)8)130(212)172-84(36-26-47-160-140(153)154)133(215)182-48-27-37-91(182)128(210)169-82(35-25-46-159-139(151)152)122(204)177-107(69(9)10)131(213)181-109(71(13)185)132(214)171-81(34-24-45-158-138(149)150)118(200)168-83(40-50-224-16)121(203)175-89(54-99(190)191)126(208)180-108(70(11)12)135(217)218/h21,29,38,59,64-72,76-91,93-94,100,105-110,184-185,192,194,196,219,223H,17-20,22-28,30-37,39-58,60-63,142-144H2,1-16H3,(H,155,162)(H,161,198)(H,163,187)(H,164,188)(H,165,199)(H,166,205)(H,167,206)(H,168,200)(H,169,210)(H,170,211)(H,171,214)(H,172,212)(H,173,201)(H,174,202)(H,175,203)(H,176,197)(H,177,204)(H,178,207)(H,179,209)(H,180,208)(H,181,213)(H,190,191)(H,217,218)(H4,145,146,156)(H4,147,148,157)(H4,149,150,158)(H4,151,152,159)(H4,153,154,160)/t71-,72+,76?,77+,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,93+,94?,100+,105+,106+,107+,108+,109+,110-,141+/m1/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CCCCN[H])NC(=O)[C@@H](NC(=O)[C@H](CS[H])NC(=O)C(N)CSC1CC(=O)N(CCCC(=O)N[C@H]2C[C@H](O[C@H]3C[C@](O)(C(=O)CO)Cc4c(O)c5c(c(O)c43)C(=O)c3c(OC)cccc3C5=O)O[C@@H](C)[C@H]2O)C1=O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](Cc1cn([H])cn1)C(=O)N[C@H](C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@H](C(=O)N[C@]([H])(C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O[H])C(C)C)C(C)C	[H]NCCCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCCN[H])NC(=O)C(NC(=O)C(CS[H])NC(=O)C(N)CSC1CC(=O)N(CCCC(=O)NC2CC(OC3CC(O)(C(=O)CO)Cc4c(O)c5c(c(O)c43)C(=O)c3c(OC)cccc3C5=O)OC(C)C2O)C1=O)C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N[H])C(=O)NC(Cc1cn([H])cn1)C(=O)NC(C(=O)NC(CCCN=C(N)N[H])C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N[H])C(=O)NC(C(=O)NC([H])(C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(C(=O)O)C(C)C)C(C)O[H])C(C)C)C(C)C	JORZHXQSELSOHE-GHDMKCTRSA-N	.							
PDC_02081	DPV10-A-Dox	42	75	"InChI=1S/C104H159N35O34S2/c1-46(2)30-59(86(156)122-37-71(146)127-61(39-140)87(157)123-38-72(147)128-64(43-174)98(168)169)134-93(163)60(31-49-36-116-45-124-49)135-91(161)57(19-11-27-121-103(114)115)133-95(165)65-20-12-28-138(65)96(166)63(41-142)137-92(162)56(18-10-26-120-102(112)113)131-89(159)54(16-8-24-118-100(108)109)129-84(154)47(3)125-88(158)53(15-7-23-117-99(106)107)130-90(160)55(17-9-25-119-101(110)111)132-94(164)62(40-141)136-85(155)52(105)44-175-68-33-73(148)139(97(68)167)29-13-22-70(145)126-58-32-74(172-48(4)79(58)149)173-67-35-104(170,69(144)42-143)34-51-76(67)83(153)78-77(81(51)151)80(150)50-14-6-21-66(171-5)75(50)82(78)152/h6,14,21,36,45-48,52-65,67-68,74,79,140-143,149,151,153,170,174H,7-13,15-20,22-35,37-44,105H2,1-5H3,(H,116,124)(H,122,156)(H,123,157)(H,125,158)(H,126,145)(H,127,146)(H,128,147)(H,129,154)(H,130,160)(H,131,159)(H,132,164)(H,133,165)(H,134,163)(H,135,161)(H,136,155)(H,137,162)(H,168,169)(H4,106,107,117)(H4,108,109,118)(H4,110,111,119)(H4,112,113,120)(H4,114,115,121)/t47-,48-,52?,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,67-,68?,74-,79+,104-/m0/s1"	[H]N/C(N)=N/CCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CO[H])NC(=O)C(N)CSC1CC(=O)N(CCCC(=O)N[C@H]2C[C@H](O[C@H]3C[C@](O)(C(=O)CO)Cc4c(O)c5c(c(O)c43)C(=O)c3c(OC)cccc3C5=O)O[C@@H](C)[C@H]2O)C1=O)C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](CO[H])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](Cc1cn([H])cn1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CO[H])C(=O)NCC(=O)N[C@@H](CS[H])C(=O)O	[H]NC(N)=NCCCC(NC(=O)C(C)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CO[H])NC(=O)C(N)CSC1CC(=O)N(CCCC(=O)NC2CC(OC3CC(O)(C(=O)CO)Cc4c(O)c5c(c(O)c43)C(=O)c3c(OC)cccc3C5=O)OC(C)C2O)C1=O)C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CO[H])C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N[H])C(=O)NC(Cc1cn([H])cn1)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CO[H])C(=O)NCC(=O)NC(CS[H])C(=O)O	HNFFJZHNQMPYBC-MQEFVNMDSA-N	.							
PDC_02082	[C<sup>15</sup>]-NPY-Dauno-MBS	72	149	"InChI=1S/C227H320N56O69S/c1-19-108(9)179(214(339)270-148(90-165(231)294)202(327)262-143(82-107(7)8)205(330)277-180(109(10)20-2)215(340)278-181(114(15)286)216(341)258-136(37-27-75-245-226(239)240)190(315)257-138(67-69-164(230)293)195(320)255-135(36-26-74-244-225(237)238)193(318)272-153(222(347)348)87-121-53-65-129(292)66-54-121)276-206(331)146(86-120-51-63-128(291)64-52-120)265-201(326)147(89-123-99-241-104-247-123)266-192(317)134(35-25-73-243-224(235)236)256-198(323)142(81-106(5)6)260-188(313)111(12)249-207(332)154(101-284)273-200(325)145(85-119-49-61-127(290)62-50-119)264-199(324)144(84-118-47-59-126(289)60-48-118)263-191(316)133(34-24-72-242-223(233)234)254-187(312)110(11)248-196(321)141(80-105(3)4)261-203(328)150(93-172(303)304)268-209(334)156(103-353-163-96-169(298)283(221(163)346)124-55-43-122(44-56-124)88-167(296)253-140-95-174(351-115(16)182(140)307)352-162-98-227(349,116(17)287)97-131-176(162)186(311)178-177(184(131)309)183(308)130-32-23-42-161(350-18)175(130)185(178)310)275-189(314)112(13)250-211(336)158-39-29-76-279(158)217(342)113(14)251-197(322)149(92-171(301)302)267-194(319)137(68-70-170(299)300)252-168(297)100-246-210(335)157-38-28-78-281(157)220(345)152(91-166(232)295)271-204(329)151(94-173(305)306)269-212(337)160-41-31-79-282(160)219(344)139(33-21-22-71-228)259-208(333)155(102-285)274-213(338)159-40-30-77-280(159)218(343)132(229)83-117-45-57-125(288)58-46-117/h23,32,42-66,99,104-115,132-160,162-163,174,179-182,284-286,288-292,307,309,311,349H,19-22,24-31,33-41,67-98,100-103,228-229H2,1-18H3,(H2,230,293)(H2,231,294)(H2,232,295)(H,241,247)(H,246,335)(H,248,321)(H,249,332)(H,250,336)(H,251,322)(H,252,297)(H,253,296)(H,254,312)(H,255,320)(H,256,323)(H,257,315)(H,258,341)(H,259,333)(H,260,313)(H,261,328)(H,262,327)(H,263,316)(H,264,324)(H,265,326)(H,266,317)(H,267,319)(H,268,334)(H,269,337)(H,270,339)(H,271,329)(H,272,318)(H,273,325)(H,274,338)(H,275,314)(H,276,331)(H,277,330)(H,278,340)(H,299,300)(H,301,302)(H,303,304)(H,305,306)(H,347,348)(H4,233,234,242)(H4,235,236,243)(H4,237,238,244)(H4,239,240,245)/t108-,109-,110-,111-,112-,113-,114+,115-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,162-,163?,174-,179-,180-,181-,182+,227-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CO[H])NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O[H])cc1)N[H])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)N[H])C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CSC1CC(=O)N(c2ccc(CC(=O)N[C@H]3C[C@H](O[C@H]4C[C@](O)(C(C)=O)Cc5c(O)c6c(c(O)c54)C(=O)c4c(OC)cccc4C6=O)O[C@@H](C)[C@H]3O)cc2)C1=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)N[C@@H](CO[H])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](Cc1cn([H])cn1)C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)N[C@]([H])(C(=O)N[C@@H](CC(=O)N[H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@]([H])(C(=O)N[C@]([H])(C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](CCC(=O)N[H])C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)O)[C@@H](C)O[H])[C@@H](C)CC)[C@@H](C)CC	[H]NCCCCC(NC(=O)C(CO[H])NC(=O)C1CCCN1C(=O)C(Cc1ccc(O[H])cc1)N[H])C(=O)N1CCCC1C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)N[H])C(=O)N1CCCC1C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(CSC1CC(=O)N(c2ccc(CC(=O)NC3CC(OC4CC(O)(C(C)=O)Cc5c(O)c6c(c(O)c54)C(=O)c4c(OC)cccc4C6=O)OC(C)C3O)cc2)C1=O)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCCN=C(N)N[H])C(=O)NC(Cc1ccc(O[H])cc1)C(=O)NC(Cc1ccc(O[H])cc1)C(=O)NC(CO[H])C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N[H])C(=O)NC(Cc1cn([H])cn1)C(=O)NC(Cc1ccc(O[H])cc1)C(=O)NC([H])(C(=O)NC(CC(=O)N[H])C(=O)NC(CC(C)C)C(=O)NC([H])(C(=O)NC([H])(C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCC(=O)N[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(Cc1ccc(O[H])cc1)C(=O)O)C(C)O[H])C(C)CC)C(C)CC	XRZUIBQQVWOYFQ-JHLNACKLSA-N	.							
PDC_02083	[C<sup>15</sup>]-NPY-Dauno-HYD	73	149	"InChI=1S/C227H322N58O68S/c1-19-108(9)179(214(340)270-148(91-165(232)295)202(328)262-143(82-107(7)8)205(331)277-180(109(10)20-2)215(341)278-181(114(15)288)216(342)258-137(37-27-75-246-226(240)241)190(316)257-139(67-69-164(231)294)195(321)255-136(36-26-74-245-225(238)239)193(319)272-153(222(348)349)87-121-53-65-129(293)66-54-121)276-206(332)146(86-120-51-63-128(292)64-52-120)265-201(327)147(89-123-99-242-104-248-123)266-192(318)135(35-25-73-244-224(236)237)256-198(324)142(81-106(5)6)260-188(314)111(12)250-207(333)154(101-286)273-200(326)145(85-119-49-61-127(291)62-50-119)264-199(325)144(84-118-47-59-126(290)60-48-118)263-191(317)134(34-24-72-243-223(234)235)254-187(313)110(11)249-196(322)141(80-105(3)4)261-203(329)150(94-172(304)305)268-209(335)156(103-354-163-96-169(299)285(221(163)347)124-55-43-122(44-56-124)88-167(297)280-279-116(17)227(350)97-131-176(162(98-227)353-174-90-132(229)182(308)115(16)352-174)186(312)178-177(184(131)310)183(309)130-32-23-42-161(351-18)175(130)185(178)311)275-189(315)112(13)251-211(337)158-39-29-76-281(158)217(343)113(14)252-197(323)149(93-171(302)303)267-194(320)138(68-70-170(300)301)253-168(298)100-247-210(336)157-38-28-78-283(157)220(346)152(92-166(233)296)271-204(330)151(95-173(306)307)269-212(338)160-41-31-79-284(160)219(345)140(33-21-22-71-228)259-208(334)155(102-287)274-213(339)159-40-30-77-282(159)218(344)133(230)83-117-45-57-125(289)58-46-117/h23,32,42-66,99,104-115,132-160,162-163,174,179-182,286-293,308,310,312,350H,19-22,24-31,33-41,67-98,100-103,228-230H2,1-18H3,(H2,231,294)(H2,232,295)(H2,233,296)(H,242,248)(H,247,336)(H,249,322)(H,250,333)(H,251,337)(H,252,323)(H,253,298)(H,254,313)(H,255,321)(H,256,324)(H,257,316)(H,258,342)(H,259,334)(H,260,314)(H,261,329)(H,262,328)(H,263,317)(H,264,325)(H,265,327)(H,266,318)(H,267,320)(H,268,335)(H,269,338)(H,270,340)(H,271,330)(H,272,319)(H,273,326)(H,274,339)(H,275,315)(H,276,332)(H,277,331)(H,278,341)(H,280,297)(H,300,301)(H,302,303)(H,304,305)(H,306,307)(H,348,349)(H4,234,235,243)(H4,236,237,244)(H4,238,239,245)(H4,240,241,246)/b279-116-/t108-,109-,110-,111-,112-,113-,114+,115-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,162-,163?,174-,179-,180-,181-,182+,227-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CO[H])NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O[H])cc1)N[H])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)N[H])C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CSC1CC(=O)N(c2ccc(CC(=O)N/N=C(/C)[C@]3(O)Cc4c(O)c5c(c(O)c4[C@@H](O[C@H]4C[C@H](N)[C@H](O)[C@H](C)O4)C3)C(=O)c3c(OC)cccc3C5=O)cc2)C1=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)N[C@@H](CO[H])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](Cc1cn([H])cn1)C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)N[C@]([H])(C(=O)N[C@@H](CC(=O)N[H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@]([H])(C(=O)N[C@]([H])(C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](CCC(=O)N[H])C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)O)[C@@H](C)O[H])[C@@H](C)CC)[C@@H](C)CC	[H]NCCCCC(NC(=O)C(CO[H])NC(=O)C1CCCN1C(=O)C(Cc1ccc(O[H])cc1)N[H])C(=O)N1CCCC1C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)N[H])C(=O)N1CCCC1C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(CSC1CC(=O)N(c2ccc(CC(=O)NN=C(C)C3(O)Cc4c(O)c5c(c(O)c4C(OC4CC(N)C(O)C(C)O4)C3)C(=O)c3c(OC)cccc3C5=O)cc2)C1=O)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCCN=C(N)N[H])C(=O)NC(Cc1ccc(O[H])cc1)C(=O)NC(Cc1ccc(O[H])cc1)C(=O)NC(CO[H])C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N[H])C(=O)NC(Cc1cn([H])cn1)C(=O)NC(Cc1ccc(O[H])cc1)C(=O)NC([H])(C(=O)NC(CC(=O)N[H])C(=O)NC(CC(C)C)C(=O)NC([H])(C(=O)NC([H])(C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCC(=O)N[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(Cc1ccc(O[H])cc1)C(=O)O)C(C)O[H])C(C)CC)C(C)CC	PZRRGDFOVHTJSJ-HDIXDYEYSA-N	.							
PDC_02084	[C<sup>15</sup>]-NPY-Doxo-MBS	73	150	"InChI=1S/C227H320N56O70S/c1-18-108(9)179(214(340)270-147(89-165(231)295)202(328)262-142(81-107(7)8)205(331)277-180(109(10)19-2)215(341)278-181(114(15)287)216(342)258-135(36-26-74-245-226(239)240)190(316)257-137(66-68-164(230)294)195(321)255-134(35-25-73-244-225(237)238)193(319)272-152(222(348)349)86-120-52-64-128(292)65-53-120)276-206(332)145(85-119-50-62-127(291)63-51-119)265-201(327)146(88-122-98-241-104-247-122)266-192(318)133(34-24-72-243-224(235)236)256-198(324)141(80-106(5)6)260-188(314)111(12)249-207(333)153(100-284)273-200(326)144(84-118-48-60-126(290)61-49-118)264-199(325)143(83-117-46-58-125(289)59-47-117)263-191(317)132(33-23-71-242-223(233)234)254-187(313)110(11)248-196(322)140(79-105(3)4)261-203(329)149(92-172(304)305)268-209(335)155(103-354-162-95-169(299)283(221(162)347)123-54-42-121(43-55-123)87-167(297)253-139-94-174(352-115(16)182(139)308)353-161-97-227(350,163(293)102-286)96-130-176(161)186(312)178-177(184(130)310)183(309)129-31-22-41-160(351-17)175(129)185(178)311)275-189(315)112(13)250-211(337)157-38-28-75-279(157)217(343)113(14)251-197(323)148(91-171(302)303)267-194(320)136(67-69-170(300)301)252-168(298)99-246-210(336)156-37-27-77-281(156)220(346)151(90-166(232)296)271-204(330)150(93-173(306)307)269-212(338)159-40-30-78-282(159)219(345)138(32-20-21-70-228)259-208(334)154(101-285)274-213(339)158-39-29-76-280(158)218(344)131(229)82-116-44-56-124(288)57-45-116/h22,31,41-65,98,104-115,131-159,161-162,174,179-182,284-292,308,310,312,350H,18-21,23-30,32-40,66-97,99-103,228-229H2,1-17H3,(H2,230,294)(H2,231,295)(H2,232,296)(H,241,247)(H,246,336)(H,248,322)(H,249,333)(H,250,337)(H,251,323)(H,252,298)(H,253,297)(H,254,313)(H,255,321)(H,256,324)(H,257,316)(H,258,342)(H,259,334)(H,260,314)(H,261,329)(H,262,328)(H,263,317)(H,264,325)(H,265,327)(H,266,318)(H,267,320)(H,268,335)(H,269,338)(H,270,340)(H,271,330)(H,272,319)(H,273,326)(H,274,339)(H,275,315)(H,276,332)(H,277,331)(H,278,341)(H,300,301)(H,302,303)(H,304,305)(H,306,307)(H,348,349)(H4,233,234,242)(H4,235,236,243)(H4,237,238,244)(H4,239,240,245)/t108-,109-,110-,111-,112-,113-,114+,115-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,161-,162?,174-,179-,180-,181-,182+,227-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CO[H])NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O[H])cc1)N[H])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)N[H])C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CSC1CC(=O)N(c2ccc(CC(=O)N[C@H]3C[C@H](O[C@H]4C[C@](O)(C(=O)CO)Cc5c(O)c6c(c(O)c54)C(=O)c4c(OC)cccc4C6=O)O[C@@H](C)[C@H]3O)cc2)C1=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)N[C@@H](CO[H])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](Cc1cn([H])cn1)C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)N[C@]([H])(C(=O)N[C@@H](CC(=O)N[H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@]([H])(C(=O)N[C@]([H])(C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](CCC(=O)N[H])C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)O)[C@@H](C)O[H])[C@@H](C)CC)[C@@H](C)CC	[H]NCCCCC(NC(=O)C(CO[H])NC(=O)C1CCCN1C(=O)C(Cc1ccc(O[H])cc1)N[H])C(=O)N1CCCC1C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)N[H])C(=O)N1CCCC1C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(CSC1CC(=O)N(c2ccc(CC(=O)NC3CC(OC4CC(O)(C(=O)CO)Cc5c(O)c6c(c(O)c54)C(=O)c4c(OC)cccc4C6=O)OC(C)C3O)cc2)C1=O)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCCN=C(N)N[H])C(=O)NC(Cc1ccc(O[H])cc1)C(=O)NC(Cc1ccc(O[H])cc1)C(=O)NC(CO[H])C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N[H])C(=O)NC(Cc1cn([H])cn1)C(=O)NC(Cc1ccc(O[H])cc1)C(=O)NC([H])(C(=O)NC(CC(=O)N[H])C(=O)NC(CC(C)C)C(=O)NC([H])(C(=O)NC([H])(C(=O)NC(CCCN=C(N)N[H])C(=O)NC(CCC(=O)N[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(Cc1ccc(O[H])cc1)C(=O)O)C(C)O[H])C(C)CC)C(C)CC	DVUMYNCWFBOFPM-GXMYVRLJSA-N	.							
PDC_02085	NT4-MON ether	63	180	"InChI=1S/C222H372N60O51S/c1-19-137(14)180(274-186(291)152(223)123-133(6)7)204(309)270-168(127-142-63-71-147(283)72-64-142)208(313)279-95-41-59-172(279)200(305)265-162(54-36-88-252-217(233)234)195(300)262-158(51-33-85-249-214(227)228)190(295)246-83-29-25-48-156(261-194(299)161(53-35-87-251-216(231)232)264-197(302)164(56-38-90-254-219(237)238)267-202(307)174-61-43-97-281(174)210(315)170(129-144-67-75-149(285)76-68-144)272-206(311)182(139(16)21-3)276-188(293)154(225)125-135(10)11)189(294)245-82-30-26-49-157(192(297)248-93-79-177(288)259-155(185(226)290)47-24-28-81-243-176(287)80-99-320-101-103-322-105-107-324-109-111-326-113-115-328-117-119-330-121-122-331-120-118-329-116-114-327-112-110-325-108-106-323-104-102-321-100-94-244-178(289)132-333-151-46-32-45-146(131-151)184-179(213(319)332-23-5)141(18)257-222(334)278-184)260-193(298)160(258-167(126-136(12)13)199(304)277-183(140(17)22-4)207(312)273-171(130-145-69-77-150(286)78-70-145)211(316)282-98-44-62-175(282)203(308)268-165(57-39-91-255-220(239)240)198(303)269-166(212(317)318)58-40-92-256-221(241)242)50-27-31-84-247-191(296)159(52-34-86-250-215(229)230)263-196(301)163(55-37-89-253-218(235)236)266-201(306)173-60-42-96-280(173)209(314)169(128-143-65-73-148(284)74-66-143)271-205(310)181(138(15)20-2)275-187(292)153(224)124-134(8)9/h32,45-46,63-78,131,133-140,152-175,180-184,258,283-286H,19-31,33-44,47-62,79-130,132,223-225H2,1-18H3,(H2,226,290)(H,243,287)(H,244,289)(H,245,294)(H,246,295)(H,247,296)(H,248,297)(H,259,288)(H,260,298)(H,261,299)(H,262,300)(H,263,301)(H,264,302)(H,265,305)(H,266,306)(H,267,307)(H,268,308)(H,269,303)(H,270,309)(H,271,310)(H,272,311)(H,273,312)(H,274,291)(H,275,292)(H,276,293)(H,277,304)(H,317,318)(H4,227,228,249)(H4,229,230,250)(H4,231,232,251)(H4,233,234,252)(H4,235,236,253)(H4,237,238,254)(H4,239,240,255)(H4,241,242,256)(H2,257,278,334)/t137-,138-,139-,140-,152-,153-,154-,155?,156?,157?,158-,159-,160?,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,180-,181-,182-,183-,184?/m0/s1"	[H]N/C(N)=N\CCC[C@H](NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@@]([H])(NC(=O)[C@H](CC(C)C)NC(CCCCNC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@@]([H])(NC(=O)[C@H](CC(C)C)N[H])[C@@H](C)CC)C(=O)NC(CCCCNC(=O)C(CCCCNC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@@]([H])(NC(=O)[C@H](CC(C)C)N[H])[C@@H](C)CC)NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@@]([H])(NC(=O)[C@H](CC(C)C)N[H])[C@@H](C)CC)C(=O)NCCC(=O)NC(CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)COc1cccc(C2NC(=S)NC(C)=C2C(=O)OCC)c1)C(N)=O)[C@@H](C)CC)C(=O)O	[H]NC(N)=NCCCC(NC(=O)C(CCCN=C(N)N[H])NC(=O)C1CCCN1C(=O)C(Cc1ccc(O[H])cc1)NC(=O)C([H])(NC(=O)C(CC(C)C)NC(CCCCNC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C1CCCN1C(=O)C(Cc1ccc(O[H])cc1)NC(=O)C([H])(NC(=O)C(CC(C)C)N[H])C(C)CC)C(=O)NC(CCCCNC(=O)C(CCCCNC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C1CCCN1C(=O)C(Cc1ccc(O[H])cc1)NC(=O)C([H])(NC(=O)C(CC(C)C)N[H])C(C)CC)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C1CCCN1C(=O)C(Cc1ccc(O[H])cc1)NC(=O)C([H])(NC(=O)C(CC(C)C)N[H])C(C)CC)C(=O)NCCC(=O)NC(CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)COc1cccc(C2NC(=S)NC(C)=C2C(=O)OCC)c1)C(N)=O)C(C)CC)C(=O)O	TWLPKSUBULRSJM-KKBDQVNXSA-N	.							
PDC_02086	NT4-CA4 ester	65	185	"InChI=1S/C229H380N58O54/c1-21-143(13)189(280-195(297)157(230)128-139(5)6)213(315)276-173(132-147-66-75-153(288)76-67-147)217(319)284-100-42-58-177(284)209(311)271-167(53-37-93-259-225(240)241)204(306)268-163(50-34-90-256-222(234)235)199(301)253-88-30-26-47-161(267-203(305)166(52-36-92-258-224(238)239)270-206(308)169(55-39-95-261-227(244)245)273-211(313)179-60-44-102-286(179)219(321)175(134-149-70-79-155(290)80-71-149)278-215(317)191(145(15)23-3)282-197(299)159(232)130-141(9)10)198(300)252-87-31-27-48-162(201(303)255-98-84-187(294)265-160(194(233)296)46-25-29-86-250-186(293)85-104-329-106-108-331-110-112-333-114-116-335-118-120-337-122-124-339-126-127-340-125-123-338-121-119-336-117-115-334-113-111-332-109-107-330-105-99-251-185(292)62-33-63-188(295)341-182-136-151(74-83-181(182)325-17)64-65-152-137-183(326-18)193(328-20)184(138-152)327-19)266-202(304)165(264-172(131-142(11)12)208(310)283-192(146(16)24-4)216(318)279-176(135-150-72-81-156(291)82-73-150)220(322)287-103-45-61-180(287)212(314)274-170(56-40-96-262-228(246)247)207(309)275-171(221(323)324)57-41-97-263-229(248)249)49-28-32-89-254-200(302)164(51-35-91-257-223(236)237)269-205(307)168(54-38-94-260-226(242)243)272-210(312)178-59-43-101-285(178)218(320)174(133-148-68-77-154(289)78-69-148)277-214(316)190(144(14)22-2)281-196(298)158(231)129-140(7)8/h64-83,136-146,157-180,189-192,264,288-291H,21-63,84-135,230-232H2,1-20H3,(H2,233,296)(H,250,293)(H,251,292)(H,252,300)(H,253,301)(H,254,302)(H,255,303)(H,265,294)(H,266,304)(H,267,305)(H,268,306)(H,269,307)(H,270,308)(H,271,311)(H,272,312)(H,273,313)(H,274,314)(H,275,309)(H,276,315)(H,277,316)(H,278,317)(H,279,318)(H,280,297)(H,281,298)(H,282,299)(H,283,310)(H,323,324)(H4,234,235,256)(H4,236,237,257)(H4,238,239,258)(H4,240,241,259)(H4,242,243,260)(H4,244,245,261)(H4,246,247,262)(H4,248,249,263)/b65-64-/t143-,144-,145-,146-,157-,158-,159-,160?,161?,162?,163-,164-,165?,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,189-,190-,191-,192-/m0/s1"	[H]N/C(N)=N\CCC[C@H](NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@@]([H])(NC(=O)[C@H](CC(C)C)NC(CCCCNC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@@]([H])(NC(=O)[C@H](CC(C)C)N[H])[C@@H](C)CC)C(=O)NC(CCCCNC(=O)C(CCCCNC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@@]([H])(NC(=O)[C@H](CC(C)C)N[H])[C@@H](C)CC)NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@@]([H])(NC(=O)[C@H](CC(C)C)N[H])[C@@H](C)CC)C(=O)NCCC(=O)NC(CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC(=O)Oc1cc(/C=C\c2cc(OC)c(OC)c(OC)c2)ccc1OC)C(N)=O)[C@@H](C)CC)C(=O)O	[H]NC(N)=NCCCC(NC(=O)C(CCCN=C(N)N[H])NC(=O)C1CCCN1C(=O)C(Cc1ccc(O[H])cc1)NC(=O)C([H])(NC(=O)C(CC(C)C)NC(CCCCNC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C1CCCN1C(=O)C(Cc1ccc(O[H])cc1)NC(=O)C([H])(NC(=O)C(CC(C)C)N[H])C(C)CC)C(=O)NC(CCCCNC(=O)C(CCCCNC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C1CCCN1C(=O)C(Cc1ccc(O[H])cc1)NC(=O)C([H])(NC(=O)C(CC(C)C)N[H])C(C)CC)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C1CCCN1C(=O)C(Cc1ccc(O[H])cc1)NC(=O)C([H])(NC(=O)C(CC(C)C)N[H])C(C)CC)C(=O)NCCC(=O)NC(CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC(=O)Oc1cc(C=Cc2cc(OC)c(OC)c(OC)c2)ccc1OC)C(N)=O)C(C)CC)C(=O)O	MPXOKGKNQZWCON-CVKQMVSWSA-N	.							
PDC_02087	NT4-CA4 ether	64	183	"InChI=1S/C226H376N58O53/c1-21-141(13)186(277-192(293)155(227)125-137(5)6)210(311)273-171(129-145-63-72-151(285)73-64-145)214(315)281-97-41-57-175(281)206(307)268-165(52-36-90-256-222(237)238)201(302)265-161(49-33-87-253-219(231)232)196(297)250-85-30-26-46-159(264-200(301)164(51-35-89-255-221(235)236)267-203(304)167(54-38-92-258-224(241)242)270-208(309)177-59-43-99-283(177)216(317)173(131-147-67-76-153(287)77-68-147)275-212(313)188(143(15)23-3)279-194(295)157(229)127-139(9)10)195(296)249-84-31-27-47-160(198(299)252-95-81-184(290)262-158(191(230)292)45-25-29-83-247-183(289)82-101-325-103-105-327-107-109-329-111-113-331-115-117-333-119-121-335-123-124-336-122-120-334-118-116-332-114-112-330-110-108-328-106-104-326-102-96-248-185(291)136-337-180-133-149(71-80-179(180)321-17)61-62-150-134-181(322-18)190(324-20)182(135-150)323-19)263-199(300)163(261-170(128-140(11)12)205(306)280-189(144(16)24-4)213(314)276-174(132-148-69-78-154(288)79-70-148)217(318)284-100-44-60-178(284)209(310)271-168(55-39-93-259-225(243)244)204(305)272-169(218(319)320)56-40-94-260-226(245)246)48-28-32-86-251-197(298)162(50-34-88-254-220(233)234)266-202(303)166(53-37-91-257-223(239)240)269-207(308)176-58-42-98-282(176)215(316)172(130-146-65-74-152(286)75-66-146)274-211(312)187(142(14)22-2)278-193(294)156(228)126-138(7)8/h61-80,133-135,137-144,155-178,186-189,261,285-288H,21-60,81-132,136,227-229H2,1-20H3,(H2,230,292)(H,247,289)(H,248,291)(H,249,296)(H,250,297)(H,251,298)(H,252,299)(H,262,290)(H,263,300)(H,264,301)(H,265,302)(H,266,303)(H,267,304)(H,268,307)(H,269,308)(H,270,309)(H,271,310)(H,272,305)(H,273,311)(H,274,312)(H,275,313)(H,276,314)(H,277,293)(H,278,294)(H,279,295)(H,280,306)(H,319,320)(H4,231,232,253)(H4,233,234,254)(H4,235,236,255)(H4,237,238,256)(H4,239,240,257)(H4,241,242,258)(H4,243,244,259)(H4,245,246,260)/b62-61-/t141-,142-,143-,144-,155-,156-,157-,158?,159?,160?,161-,162-,163?,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,186-,187-,188-,189-/m0/s1"	[H]N/C(N)=N\CCC[C@H](NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@@]([H])(NC(=O)[C@H](CC(C)C)NC(CCCCNC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@@]([H])(NC(=O)[C@H](CC(C)C)N[H])[C@@H](C)CC)C(=O)NC(CCCCNC(=O)C(CCCCNC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@@]([H])(NC(=O)[C@H](CC(C)C)N[H])[C@@H](C)CC)NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@@]([H])(NC(=O)[C@H](CC(C)C)N[H])[C@@H](C)CC)C(=O)NCCC(=O)NC(CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)COc1cc(/C=C\c2cc(OC)c(OC)c(OC)c2)ccc1OC)C(N)=O)[C@@H](C)CC)C(=O)O	[H]NC(N)=NCCCC(NC(=O)C(CCCN=C(N)N[H])NC(=O)C1CCCN1C(=O)C(Cc1ccc(O[H])cc1)NC(=O)C([H])(NC(=O)C(CC(C)C)NC(CCCCNC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C1CCCN1C(=O)C(Cc1ccc(O[H])cc1)NC(=O)C([H])(NC(=O)C(CC(C)C)N[H])C(C)CC)C(=O)NC(CCCCNC(=O)C(CCCCNC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C1CCCN1C(=O)C(Cc1ccc(O[H])cc1)NC(=O)C([H])(NC(=O)C(CC(C)C)N[H])C(C)CC)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C1CCCN1C(=O)C(Cc1ccc(O[H])cc1)NC(=O)C([H])(NC(=O)C(CC(C)C)N[H])C(C)CC)C(=O)NCCC(=O)NC(CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)COc1cc(C=Cc2cc(OC)c(OC)c(OC)c2)ccc1OC)C(N)=O)C(C)CC)C(=O)O	DLCPOACIXPGAOE-KKYSGMDCSA-N	.							
PDC_02088	Octreotide doxorubicin conjugate	32	26	"InChI=1S/C87H113N15O24S4/c1-44(105)60(39-103)98-85(120)62-43-130-128-31-29-92-80(115)57(94-67(108)41-124-102-65(40-104)87(122)36-52-70(64(37-87)126-68-35-53(89)74(109)46(3)125-68)78(113)72-71(76(52)111)75(110)51-21-15-24-63(123-4)69(51)77(72)112)25-26-66(107)91-28-30-127-129-42-61(99-79(114)54(90)32-47-16-7-5-8-17-47)84(119)96-58(33-48-18-9-6-10-19-48)82(117)97-59(34-49-38-93-55-22-12-11-20-50(49)55)83(118)95-56(23-13-14-27-88)81(116)101-73(45(2)106)86(121)100-62/h5-12,15-22,24,38,44-46,53-54,56-62,64,68,73-74,93,103-106,109,111,113,122H,13-14,23,25-37,39-43,88-90H2,1-4H3,(H,91,107)(H,92,115)(H,94,108)(H,95,118)(H,96,119)(H,97,117)(H,98,120)(H,99,114)(H,100,121)(H,101,116)/b102-65+/t44-,45-,46+,53+,54-,56+,57+,58+,59-,60-,61+,62+,64+,68+,73+,74-,87+/m1/s1"	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(/C(CO)=N/OCC(=O)N[C@H]1CCC(=O)NCCSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](C(=O)N[C@H](CO)[C@@H](C)O)CSSCCNC1=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(CO)=NOCC(=O)NC1CCC(=O)NCCSSCC(NC(=O)C(N)Cc2ccccc2)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2c[nH]c4ccccc24)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)NC(C(=O)NC(CO)C(C)O)CSSCCNC1=O)CC3OC1CC(N)C(O)C(C)O1	QNNZROAVZWCSKP-KHFBESNSSA-N	.							
PDC_02089	NH<sub>2</sub>-GCKSYR-PC4AP-DOX	39	50	"InChI=1S/C84H104N14O36S/c1-38-70(105)47(24-65(131-38)132-58-30-83(118,60(102)33-100)29-44-67(58)74(109)69-68(72(44)107)71(106)43-11-9-14-53(123-2)66(43)73(69)108)95-82(117)133-61-28-64(128-34-40-22-54(124-3)56(126-5)25-51(40)97(119)120)134-84(61,129-35-41-23-55(125-4)57(127-6)26-52(41)98(121)122)37-130-96-63(104)27-59(79(96)114)135-36-50(90-62(103)31-86)78(113)91-45(12-7-8-19-85)75(110)94-49(32-99)77(112)93-48(21-39-15-17-42(101)18-16-39)76(111)92-46(80(115)116)13-10-20-89-81(87)88/h9,11,14-18,22-23,25-26,38,45-50,58-59,61,64-65,70,99-101,105,107,109,118H,7-8,10,12-13,19-21,24,27-37,85-86H2,1-6H3,(H,90,103)(H,91,113)(H,92,111)(H,93,112)(H,94,110)(H,95,117)(H,115,116)(H4,87,88,89)/t38-,45-,46-,47-,48-,49-,50-,58-,59?,61?,64?,65-,70+,83-,84?/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CSC1CC(=O)N(OCC2(OCc3cc(OC)c(OC)cc3[N+](=O)[O-])OC(OCc3cc(OC)c(OC)cc3[N+](=O)[O-])CC2OC(=O)N[C@H]2C[C@H](O[C@H]3C[C@](O)(C(=O)CO)Cc4c(O)c5c(c(O)c43)C(=O)c3c(OC)cccc3C5=O)O[C@@H](C)[C@H]2O)C1=O)NC(=O)CN)C(=O)N[C@@H](CO[H])C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)O	[H]NCCCCC(NC(=O)C(CSC1CC(=O)N(OCC2(OCc3cc(OC)c(OC)cc3[N+](=O)[O-])OC(OCc3cc(OC)c(OC)cc3[N+](=O)[O-])CC2OC(=O)NC2CC(OC3CC(O)(C(=O)CO)Cc4c(O)c5c(c(O)c43)C(=O)c3c(OC)cccc3C5=O)OC(C)C2O)C1=O)NC(=O)CN)C(=O)NC(CO[H])C(=O)NC(Cc1ccc(O[H])cc1)C(=O)NC(CCCN=C(N)N[H])C(=O)O	IYELLLGYCWRYGN-PVXIEZCJSA-N	.							
PDC_02090	Ac-NH-GCASYR-PC4AP-DOX	38	46	"InChI=1S/C83H99N13O37S/c1-36(74(109)92-48(30-97)76(111)91-47(19-39-14-16-42(100)17-15-39)75(110)90-45(79(114)115)12-10-18-86-80(84)85)88-77(112)49(89-61(102)29-87-38(3)99)34-134-58-25-62(103)94(78(58)113)129-35-83(128-33-41-21-54(124-6)56(126-8)24-51(41)96(120)121)60(26-63(133-83)127-32-40-20-53(123-5)55(125-7)23-50(40)95(118)119)132-81(116)93-46-22-64(130-37(2)69(46)104)131-57-28-82(117,59(101)31-98)27-44-66(57)73(108)68-67(71(44)106)70(105)43-11-9-13-52(122-4)65(43)72(68)107/h9,11,13-17,20-21,23-24,36-37,45-49,57-58,60,63-64,69,97-98,100,104,106,108,117H,10,12,18-19,22,25-35H2,1-8H3,(H,87,99)(H,88,112)(H,89,102)(H,90,110)(H,91,111)(H,92,109)(H,93,116)(H,114,115)(H4,84,85,86)/t36-,37-,45-,46-,47-,48-,49-,57-,58?,60?,63?,64-,69+,82-,83?/m0/s1"	[H]N/C(N)=N\CCC[C@H](NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](CO[H])NC(=O)[C@H](C)NC(=O)[C@H](CSC1CC(=O)N(OCC2(OCc3cc(OC)c(OC)cc3[N+](=O)[O-])OC(OCc3cc(OC)c(OC)cc3[N+](=O)[O-])CC2OC(=O)N[C@H]2C[C@H](O[C@H]3C[C@](O)(C(=O)CO)Cc4c(O)c5c(c(O)c43)C(=O)c3c(OC)cccc3C5=O)O[C@@H](C)[C@H]2O)C1=O)NC(=O)CNC(C)=O)C(=O)O	[H]NC(N)=NCCCC(NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(CO[H])NC(=O)C(C)NC(=O)C(CSC1CC(=O)N(OCC2(OCc3cc(OC)c(OC)cc3[N+](=O)[O-])OC(OCc3cc(OC)c(OC)cc3[N+](=O)[O-])CC2OC(=O)NC2CC(OC3CC(O)(C(=O)CO)Cc4c(O)c5c(c(O)c43)C(=O)c3c(OC)cccc3C5=O)OC(C)C2O)C1=O)NC(=O)CNC(C)=O)C(=O)O	AGHFMNBFVOOZOT-FEORWXLTSA-N	.							
PDC_02091	NH<sub>2</sub>-GCASYR-PC4AP-DOX	38	46	"InChI=1S/C81H97N13O36S/c1-35(72(106)90-46(29-95)74(108)89-45(18-37-13-15-40(97)16-14-37)73(107)88-43(77(111)112)11-9-17-85-78(83)84)86-75(109)47(87-59(99)28-82)33-131-56-24-60(100)92(76(56)110)126-34-81(125-32-39-20-52(121-5)54(123-7)23-49(39)94(117)118)58(25-61(130-81)124-31-38-19-51(120-4)53(122-6)22-48(38)93(115)116)129-79(113)91-44-21-62(127-36(2)67(44)101)128-55-27-80(114,57(98)30-96)26-42-64(55)71(105)66-65(69(42)103)68(102)41-10-8-12-50(119-3)63(41)70(66)104/h8,10,12-16,19-20,22-23,35-36,43-47,55-56,58,61-62,67,95-97,101,103,105,114H,9,11,17-18,21,24-34,82H2,1-7H3,(H,86,109)(H,87,99)(H,88,107)(H,89,108)(H,90,106)(H,91,113)(H,111,112)(H4,83,84,85)/t35-,36-,43-,44-,45-,46-,47-,55-,56?,58?,61?,62-,67+,80-,81?/m0/s1"	[H]NCC(=O)N[C@@H](CSC1CC(=O)N(OCC2(OCc3cc(OC)c(OC)cc3[N+](=O)[O-])OC(OCc3cc(OC)c(OC)cc3[N+](=O)[O-])CC2OC(=O)N[C@H]2C[C@H](O[C@H]3C[C@](O)(C(=O)CO)Cc4c(O)c5c(c(O)c43)C(=O)c3c(OC)cccc3C5=O)O[C@@H](C)[C@H]2O)C1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO[H])C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)O	[H]NCC(=O)NC(CSC1CC(=O)N(OCC2(OCc3cc(OC)c(OC)cc3[N+](=O)[O-])OC(OCc3cc(OC)c(OC)cc3[N+](=O)[O-])CC2OC(=O)NC2CC(OC3CC(O)(C(=O)CO)Cc4c(O)c5c(c(O)c43)C(=O)c3c(OC)cccc3C5=O)OC(C)C2O)C1=O)C(=O)NC(C)C(=O)NC(CO[H])C(=O)NC(Cc1ccc(O[H])cc1)C(=O)NC(CCCN=C(N)N[H])C(=O)O	GDAURRFAUKPENB-RAPVKJDKSA-N	.							
PDC_02092	Ac-NH-GCKSYR-PC4AP-DOX	39	51	"InChI=1S/C86H106N14O37S/c1-39-72(108)49(25-67(134-39)135-60-31-85(121,62(105)34-102)30-46-69(60)76(112)71-70(74(46)110)73(109)45-12-10-15-55(126-3)68(45)75(71)111)97-84(120)136-63-29-66(131-35-42-23-56(127-4)58(129-6)26-53(42)99(122)123)137-86(63,132-36-43-24-57(128-5)59(130-7)27-54(43)100(124)125)38-133-98-65(107)28-61(81(98)117)138-37-52(92-64(106)32-91-40(2)103)80(116)93-47(13-8-9-20-87)77(113)96-51(33-101)79(115)95-50(22-41-16-18-44(104)19-17-41)78(114)94-48(82(118)119)14-11-21-90-83(88)89/h10,12,15-19,23-24,26-27,39,47-52,60-61,63,66-67,72,101-102,104,108,110,112,121H,8-9,11,13-14,20-22,25,28-38,87H2,1-7H3,(H,91,103)(H,92,106)(H,93,116)(H,94,114)(H,95,115)(H,96,113)(H,97,120)(H,118,119)(H4,88,89,90)/t39-,47-,48-,49-,50-,51-,52-,60-,61?,63?,66?,67-,72+,85-,86?/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CSC1CC(=O)N(OCC2(OCc3cc(OC)c(OC)cc3[N+](=O)[O-])OC(OCc3cc(OC)c(OC)cc3[N+](=O)[O-])CC2OC(=O)N[C@H]2C[C@H](O[C@H]3C[C@](O)(C(=O)CO)Cc4c(O)c5c(c(O)c43)C(=O)c3c(OC)cccc3C5=O)O[C@@H](C)[C@H]2O)C1=O)NC(=O)CNC(C)=O)C(=O)N[C@@H](CO[H])C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)O	[H]NCCCCC(NC(=O)C(CSC1CC(=O)N(OCC2(OCc3cc(OC)c(OC)cc3[N+](=O)[O-])OC(OCc3cc(OC)c(OC)cc3[N+](=O)[O-])CC2OC(=O)NC2CC(OC3CC(O)(C(=O)CO)Cc4c(O)c5c(c(O)c43)C(=O)c3c(OC)cccc3C5=O)OC(C)C2O)C1=O)NC(=O)CNC(C)=O)C(=O)NC(CO[H])C(=O)NC(Cc1ccc(O[H])cc1)C(=O)NC(CCCN=C(N)N[H])C(=O)O	TZGFDIRWPZRXQA-KNFQJNFXSA-N	.							
PDC_02093	NH<sub>2</sub>-GRDWQSCMEYKTHN-PC4AP-DOX	54	86	"InChI=1S/C128H163N27O51S2/c1-57(158)105(122(185)147-77(37-63-49-135-56-138-63)118(181)148-79(124(187)188)38-94(132)162)152-115(178)70(18-11-12-30-129)140-116(179)75(33-59-21-23-64(159)24-22-59)144-112(175)72(26-28-97(165)166)141-114(177)73(29-32-207-8)143-121(184)81(150-120(183)80(50-156)149-113(176)71(25-27-93(131)161)142-117(180)76(34-60-48-137-68-17-10-9-15-65(60)68)145-119(182)78(39-98(167)168)146-111(174)69(139-95(163)47-130)19-14-31-136-125(133)134)54-208-90-43-96(164)153(123(90)186)202-55-128(201-53-62-36-86(197-5)88(199-7)42-83(62)155(193)194)92(44-99(206-128)200-52-61-35-85(196-4)87(198-6)41-82(61)154(191)192)205-126(189)151-74-40-100(203-58(2)106(74)169)204-89-46-127(190,91(160)51-157)45-67-102(89)110(173)104-103(108(67)171)107(170)66-16-13-20-84(195-3)101(66)109(104)172/h9-10,13,15-17,20-24,35-36,41-42,48-49,56-58,69-81,89-90,92,99-100,105-106,137,156-159,169,171,173,190H,11-12,14,18-19,25-34,37-40,43-47,50-55,129-130H2,1-8H3,(H2,131,161)(H2,132,162)(H,135,138)(H,139,163)(H,140,179)(H,141,177)(H,142,180)(H,143,184)(H,144,175)(H,145,182)(H,146,174)(H,147,185)(H,148,181)(H,149,176)(H,150,183)(H,151,189)(H,152,178)(H,165,166)(H,167,168)(H,187,188)(H4,133,134,136)/t57-,58+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,89+,90?,92?,99?,100+,105+,106-,127+,128?/m1/s1"	[H]NCCCC[C@H](NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CSC1CC(=O)N(OCC2(OCc3cc(OC)c(OC)cc3[N+](=O)[O-])OC(OCc3cc(OC)c(OC)cc3[N+](=O)[O-])CC2OC(=O)N[C@H]2C[C@H](O[C@H]3C[C@](O)(C(=O)CO)Cc4c(O)c5c(c(O)c43)C(=O)c3c(OC)cccc3C5=O)O[C@@H](C)[C@H]2O)C1=O)NC(=O)[C@H](CO[H])NC(=O)[C@H](CCC(=O)N[H])NC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)CN[H])C(=O)N[C@]([H])(C(=O)N[C@@H](Cc1cn([H])cn1)C(=O)N[C@@H](CC(=O)N[H])C(=O)O)[C@@H](C)O[H]	[H]NCCCCC(NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(CCC(=O)O)NC(=O)C(CCSC)NC(=O)C(CSC1CC(=O)N(OCC2(OCc3cc(OC)c(OC)cc3[N+](=O)[O-])OC(OCc3cc(OC)c(OC)cc3[N+](=O)[O-])CC2OC(=O)NC2CC(OC3CC(O)(C(=O)CO)Cc4c(O)c5c(c(O)c43)C(=O)c3c(OC)cccc3C5=O)OC(C)C2O)C1=O)NC(=O)C(CO[H])NC(=O)C(CCC(=O)N[H])NC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(CC(=O)O)NC(=O)C(CCCN=C(N)N[H])NC(=O)CN[H])C(=O)NC([H])(C(=O)NC(Cc1cn([H])cn1)C(=O)NC(CC(=O)N[H])C(=O)O)C(C)O[H]	CZSFVOMWEHFKEU-ICIRNPGXSA-N	.							
PDC_02094	NH<sub>2</sub>-GCKSYR-C4AP-DOX	31	39	"InChI=1S/C66H86N12O28S/c1-28-52(86)35(18-47(103-28)104-40-22-65(99,42(82)25-80)21-32-49(40)56(90)51-50(54(32)88)53(87)31-7-5-10-39(101-2)48(31)55(51)89)77-64(98)105-43-20-46(85)106-66(43,100)27-102-78-45(84)19-41(61(78)95)107-26-38(72-44(83)23-68)60(94)73-33(8-3-4-15-67)57(91)76-37(24-79)59(93)75-36(17-29-11-13-30(81)14-12-29)58(92)74-34(62(96)97)9-6-16-71-63(69)70/h5,7,10-14,28,33-38,40-41,43,46-47,52,79-81,85-86,88,90,99-100H,3-4,6,8-9,15-27,67-68H2,1-2H3,(H,72,83)(H,73,94)(H,74,92)(H,75,93)(H,76,91)(H,77,98)(H,96,97)(H4,69,70,71)/t28-,33-,34-,35-,36-,37-,38-,40-,41?,43?,46?,47-,52+,65-,66?/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CSC1CC(=O)N(OCC2(O)OC(O)CC2OC(=O)N[C@H]2C[C@H](O[C@H]3C[C@](O)(C(=O)CO)Cc4c(O)c5c(c(O)c43)C(=O)c3c(OC)cccc3C5=O)O[C@@H](C)[C@H]2O)C1=O)NC(=O)CN[H])C(=O)N[C@@H](CO[H])C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)O	[H]NCCCCC(NC(=O)C(CSC1CC(=O)N(OCC2(O)OC(O)CC2OC(=O)NC2CC(OC3CC(O)(C(=O)CO)Cc4c(O)c5c(c(O)c43)C(=O)c3c(OC)cccc3C5=O)OC(C)C2O)C1=O)NC(=O)CN[H])C(=O)NC(CO[H])C(=O)NC(Cc1ccc(O[H])cc1)C(=O)NC(CCCN=C(N)N[H])C(=O)O	VICJPVPZRGOJNT-KWRMIDRFSA-N	.							
PDC_02095	Ac-NH-GCASYR-C4AP-DOX	30	34	"InChI=1S/C65H81N11O29S/c1-26(56(90)74-36(22-77)58(92)73-35(15-29-10-12-30(80)13-11-29)57(91)72-33(61(95)96)8-6-14-68-62(66)67)70-59(93)37(71-43(82)21-69-28(3)79)24-106-40-17-44(83)76(60(40)94)101-25-65(99)42(18-45(84)105-65)104-63(97)75-34-16-46(102-27(2)51(34)85)103-39-20-64(98,41(81)23-78)19-32-48(39)55(89)50-49(53(32)87)52(86)31-7-5-9-38(100-4)47(31)54(50)88/h5,7,9-13,26-27,33-37,39-40,42,45-46,51,77-78,80,84-85,87,89,98-99H,6,8,14-25H2,1-4H3,(H,69,79)(H,70,93)(H,71,82)(H,72,91)(H,73,92)(H,74,90)(H,75,97)(H,95,96)(H4,66,67,68)/t26-,27-,33-,34-,35-,36-,37-,39-,40?,42?,45?,46-,51+,64-,65?/m0/s1"	[H]N/C(N)=N\CCC[C@H](NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](CO[H])NC(=O)[C@H](C)NC(=O)[C@H](CSC1CC(=O)N(OCC2(O)OC(O)CC2OC(=O)N[C@H]2C[C@H](O[C@H]3C[C@](O)(C(=O)CO)Cc4c(O)c5c(c(O)c43)C(=O)c3c(OC)cccc3C5=O)O[C@@H](C)[C@H]2O)C1=O)NC(=O)CNC(C)=O)C(=O)O	[H]NC(N)=NCCCC(NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(CO[H])NC(=O)C(C)NC(=O)C(CSC1CC(=O)N(OCC2(O)OC(O)CC2OC(=O)NC2CC(OC3CC(O)(C(=O)CO)Cc4c(O)c5c(c(O)c43)C(=O)c3c(OC)cccc3C5=O)OC(C)C2O)C1=O)NC(=O)CNC(C)=O)C(=O)O	WOTIHWSGMXZJPX-HIGSOWASSA-N	.							
PDC_02096	NH<sub>2</sub>-GCASYR-C4AP-DOX	30	33	"InChI=1S/C63H79N11O28S/c1-25(54(87)72-34(21-75)56(89)71-33(14-27-9-11-28(77)12-10-27)55(88)70-31(59(92)93)7-5-13-67-60(65)66)68-57(90)35(69-41(79)20-64)23-103-38-16-42(80)74(58(38)91)98-24-63(96)40(17-43(81)102-63)101-61(94)73-32-15-44(99-26(2)49(32)82)100-37-19-62(95,39(78)22-76)18-30-46(37)53(86)48-47(51(30)84)50(83)29-6-4-8-36(97-3)45(29)52(48)85/h4,6,8-12,25-26,31-35,37-38,40,43-44,49,75-77,81-82,84,86,95-96H,5,7,13-24,64H2,1-3H3,(H,68,90)(H,69,79)(H,70,88)(H,71,89)(H,72,87)(H,73,94)(H,92,93)(H4,65,66,67)/t25-,26-,31-,32-,33-,34-,35-,37-,38?,40?,43?,44-,49+,62-,63?/m0/s1"	[H]N/C(N)=N\CCC[C@H](NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](CO[H])NC(=O)[C@H](C)NC(=O)[C@H](CSC1CC(=O)N(OCC2(O)OC(O)CC2OC(=O)N[C@H]2C[C@H](O[C@H]3C[C@](O)(C(=O)CO)Cc4c(O)c5c(c(O)c43)C(=O)c3c(OC)cccc3C5=O)O[C@@H](C)[C@H]2O)C1=O)NC(=O)CN)C(=O)O	[H]NC(N)=NCCCC(NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(CO[H])NC(=O)C(C)NC(=O)C(CSC1CC(=O)N(OCC2(O)OC(O)CC2OC(=O)NC2CC(OC3CC(O)(C(=O)CO)Cc4c(O)c5c(c(O)c43)C(=O)c3c(OC)cccc3C5=O)OC(C)C2O)C1=O)NC(=O)CN)C(=O)O	ZXDPCVBARYTLNU-FYDNVOGPSA-N	.							
PDC_02097	Ac-NH-GCKSYR-C4AP-DOX	31	39	"InChI=1S/C68H88N12O29S/c1-29-54(89)37(19-49(106-29)107-42-23-67(102,44(85)26-82)22-34-51(42)58(93)53-52(56(34)91)55(90)33-8-6-11-41(104-3)50(33)57(53)92)79-66(101)108-45-21-48(88)109-68(45,103)28-105-80-47(87)20-43(63(80)98)110-27-40(74-46(86)24-73-30(2)83)62(97)75-35(9-4-5-16-69)59(94)78-39(25-81)61(96)77-38(18-31-12-14-32(84)15-13-31)60(95)76-36(64(99)100)10-7-17-72-65(70)71/h6,8,11-15,29,35-40,42-43,45,48-49,54,81-82,84,88-89,91,93,102-103H,4-5,7,9-10,16-28,69H2,1-3H3,(H,73,83)(H,74,86)(H,75,97)(H,76,95)(H,77,96)(H,78,94)(H,79,101)(H,99,100)(H4,70,71,72)/t29-,35-,36-,37-,38-,39-,40-,42-,43?,45?,48?,49-,54+,67-,68?/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CSC1CC(=O)N(OCC2(O)OC(O)CC2OC(=O)N[C@H]2C[C@H](O[C@H]3C[C@](O)(C(=O)CO)Cc4c(O)c5c(c(O)c43)C(=O)c3c(OC)cccc3C5=O)O[C@@H](C)[C@H]2O)C1=O)NC(=O)CNC(C)=O)C(=O)N[C@@H](CO[H])C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)O	[H]NCCCCC(NC(=O)C(CSC1CC(=O)N(OCC2(O)OC(O)CC2OC(=O)NC2CC(OC3CC(O)(C(=O)CO)Cc4c(O)c5c(c(O)c43)C(=O)c3c(OC)cccc3C5=O)OC(C)C2O)C1=O)NC(=O)CNC(C)=O)C(=O)NC(CO[H])C(=O)NC(Cc1ccc(O[H])cc1)C(=O)NC(CCCN=C(N)N[H])C(=O)O	ZICCKKMONZNODX-VXGSVNACSA-N	.							
PDC_02098	NH<sub>2</sub>-GRDWQSCMEYKTHN-C4AP-DOX	46	74	"InChI=1S/C110H145N25O43S2/c1-47(138)87(104(166)129-65(31-51-41-117-46-120-51)100(162)130-67(106(168)169)32-76(114)142)134-97(159)58(14-7-8-26-111)122-98(160)63(29-49-17-19-52(139)20-18-49)126-94(156)60(22-24-79(145)146)123-96(158)61(25-28-179-4)125-103(165)69(132-102(164)68(42-136)131-95(157)59(21-23-75(113)141)124-99(161)64(30-50-40-119-56-13-6-5-11-53(50)56)127-101(163)66(33-80(147)148)128-93(155)57(121-77(143)39-112)15-10-27-118-107(115)116)44-180-72-35-78(144)135(105(72)167)174-45-110(172)74(36-81(149)178-110)177-108(170)133-62-34-82(175-48(2)88(62)150)176-71-38-109(171,73(140)43-137)37-55-84(71)92(154)86-85(90(55)152)89(151)54-12-9-16-70(173-3)83(54)91(86)153/h5-6,9,11-13,16-20,40-41,46-48,57-69,71-72,74,81-82,87-88,119,136-139,149-150,152,154,171-172H,7-8,10,14-15,21-39,42-45,111-112H2,1-4H3,(H2,113,141)(H2,114,142)(H,117,120)(H,121,143)(H,122,160)(H,123,158)(H,124,161)(H,125,165)(H,126,156)(H,127,163)(H,128,155)(H,129,166)(H,130,162)(H,131,157)(H,132,164)(H,133,170)(H,134,159)(H,145,146)(H,147,148)(H,168,169)(H4,115,116,118)/t47-,48+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,71+,72?,74?,81?,82+,87+,88-,109+,110?/m1/s1"	[H]NCCCC[C@H](NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CSC1CC(=O)N(OCC2(O)OC(O)CC2OC(=O)N[C@H]2C[C@H](O[C@H]3C[C@](O)(C(=O)CO)Cc4c(O)c5c(c(O)c43)C(=O)c3c(OC)cccc3C5=O)O[C@@H](C)[C@H]2O)C1=O)NC(=O)[C@H](CO[H])NC(=O)[C@H](CCC(=O)N[H])NC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)CN[H])C(=O)N[C@]([H])(C(=O)N[C@@H](Cc1cn([H])cn1)C(=O)N[C@@H](CC(=O)N[H])C(=O)O)[C@@H](C)O[H]	[H]NCCCCC(NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(CCC(=O)O)NC(=O)C(CCSC)NC(=O)C(CSC1CC(=O)N(OCC2(O)OC(O)CC2OC(=O)NC2CC(OC3CC(O)(C(=O)CO)Cc4c(O)c5c(c(O)c43)C(=O)c3c(OC)cccc3C5=O)OC(C)C2O)C1=O)NC(=O)C(CO[H])NC(=O)C(CCC(=O)N[H])NC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(CC(=O)O)NC(=O)C(CCCN=C(N)N[H])NC(=O)CN[H])C(=O)NC([H])(C(=O)NC(Cc1cn([H])cn1)C(=O)NC(CC(=O)N[H])C(=O)O)C(C)O[H]	SGWROWIMKGXOJL-KOBKTTLCSA-N	.							
PDC_02099	SN38(10)-CRGDK	19	30	"InChI=1S/C46H61N11O14S2/c1-3-24-25-16-23(10-11-30(25)54-38-26(24)20-57-34(38)17-28-27(42(57)65)21-70-44(68)46(28,69)4-2)71-37(61)12-15-72-73-22-29(48)39(62)55-31(9-7-14-51-45(49)50)40(63)52-19-35(58)53-33(18-36(59)60)41(64)56-32(43(66)67)8-5-6-13-47/h10-11,16-17,29,31-33,69H,3-9,12-15,18-22,47-48H2,1-2H3,(H,52,63)(H,53,58)(H,55,62)(H,56,64)(H,59,60)(H,66,67)(H4,49,50,51)/t29-,31-,32-,33-,46-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CSSCCC(=O)Oc1ccc2nc3c(c(CC)c2c1)Cn1c-3cc2c(c1=O)COC(=O)[C@]2(O)CC)N[H])C(=O)O	[H]NCCCCC(NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N[H])NC(=O)C(CSSCCC(=O)Oc1ccc2nc3c(c(CC)c2c1)Cn1c-3cc2c(c1=O)COC(=O)C2(O)CC)N[H])C(=O)O	KTVRRXSERSHTCX-AOAKETMRSA-N	.							
PDC_02100	SN38(10)-4-CRGDK	21	33	"InChI=1S/C49H65N11O16S2/c1-3-26-27-18-25(10-11-32(27)57-41-28(26)22-60-36(41)19-30-29(45(60)69)23-75-47(72)49(30,73)4-2)76-40(65)13-12-39(64)74-16-17-77-78-24-31(51)42(66)58-33(9-7-15-54-48(52)53)43(67)55-21-37(61)56-35(20-38(62)63)44(68)59-34(46(70)71)8-5-6-14-50/h10-11,18-19,31,33-35,73H,3-9,12-17,20-24,50-51H2,1-2H3,(H,55,67)(H,56,61)(H,58,66)(H,59,68)(H,62,63)(H,70,71)(H4,52,53,54)/t31-,33-,34-,35-,49-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CSSCCOC(=O)CCC(=O)Oc1ccc2nc3c(c(CC)c2c1)Cn1c-3cc2c(c1=O)COC(=O)[C@]2(O)CC)N[H])C(=O)O	[H]NCCCCC(NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N[H])NC(=O)C(CSSCCOC(=O)CCC(=O)Oc1ccc2nc3c(c(CC)c2c1)Cn1c-3cc2c(c1=O)COC(=O)C2(O)CC)N[H])C(=O)O	BSQCSQPMAACTNW-XRTSIQPFSA-N	.							
PDC_02101	SN38(10)-5-CRGDK	21	34	"InChI=1S/C50H67N11O16S2/c1-3-27-28-19-26(13-14-33(28)58-42-29(27)23-61-37(42)20-31-30(46(61)70)24-76-48(73)50(31,74)4-2)77-41(66)12-7-11-40(65)75-17-18-78-79-25-32(52)43(67)59-34(10-8-16-55-49(53)54)44(68)56-22-38(62)57-36(21-39(63)64)45(69)60-35(47(71)72)9-5-6-15-51/h13-14,19-20,32,34-36,74H,3-12,15-18,21-25,51-52H2,1-2H3,(H,56,68)(H,57,62)(H,59,67)(H,60,69)(H,63,64)(H,71,72)(H4,53,54,55)/t32-,34-,35-,36-,50-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CSSCCOC(=O)CCCC(=O)Oc1ccc2nc3c(c(CC)c2c1)Cn1c-3cc2c(c1=O)COC(=O)[C@]2(O)CC)N[H])C(=O)O	[H]NCCCCC(NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N[H])NC(=O)C(CSSCCOC(=O)CCCC(=O)Oc1ccc2nc3c(c(CC)c2c1)Cn1c-3cc2c(c1=O)COC(=O)C2(O)CC)N[H])C(=O)O	GJOONROEOQUULM-VHISYIITSA-N	.							
PDC_02102	SN38(10)-(Ac)CGVQIRGDK	24	44	"InChI=1S/C66H94N16O20S2/c1-8-33(6)54(61(95)77-42(15-13-22-71-65(69)70)56(90)72-27-49(85)75-45(26-51(87)88)59(93)79-44(63(97)98)14-11-12-21-67)81-58(92)43(18-19-48(68)84)78-60(94)53(32(4)5)80-50(86)28-73-57(91)46(74-34(7)83)31-104-103-23-20-52(89)102-35-16-17-41-37(24-35)36(9-2)38-29-82-47(55(38)76-41)25-40-39(62(82)96)30-101-64(99)66(40,100)10-3/h16-17,24-25,32-33,42-46,53-54,100H,8-15,18-23,26-31,67H2,1-7H3,(H2,68,84)(H,72,90)(H,73,91)(H,74,83)(H,75,85)(H,77,95)(H,78,94)(H,79,93)(H,80,86)(H,81,92)(H,87,88)(H,97,98)(H4,69,70,71)/t33-,42-,43-,44-,45-,46-,53-,54-,66-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@@]([H])(NC(=O)[C@H](CCC(=O)N[H])NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CSSCCC(=O)Oc1ccc2nc3c(c(CC)c2c1)Cn1c-3cc2c(c1=O)COC(=O)[C@]2(O)CC)NC(C)=O)C(C)C)[C@@H](C)CC)C(=O)O	[H]NCCCCC(NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N[H])NC(=O)C([H])(NC(=O)C(CCC(=O)N[H])NC(=O)C(NC(=O)CNC(=O)C(CSSCCC(=O)Oc1ccc2nc3c(c(CC)c2c1)Cn1c-3cc2c(c1=O)COC(=O)C2(O)CC)NC(C)=O)C(C)C)C(C)CC)C(=O)O	WZAHIQZRRIZRMW-KTMWHRFASA-N	.							
PDC_02103	SN38(10)-4-(Ac)CGVQIRGDK	26	47	"InChI=1S/C69H98N16O22S2/c1-8-35(6)57(64(99)80-44(15-13-23-74-68(72)73)59(94)75-29-51(88)78-47(28-53(90)91)62(97)82-46(66(101)102)14-11-12-22-70)84-61(96)45(18-19-50(71)87)81-63(98)56(34(4)5)83-52(89)30-76-60(95)48(77-36(7)86)33-109-108-25-24-105-54(92)20-21-55(93)107-37-16-17-43-39(26-37)38(9-2)40-31-85-49(58(40)79-43)27-42-41(65(85)100)32-106-67(103)69(42,104)10-3/h16-17,26-27,34-35,44-48,56-57,104H,8-15,18-25,28-33,70H2,1-7H3,(H2,71,87)(H,75,94)(H,76,95)(H,77,86)(H,78,88)(H,80,99)(H,81,98)(H,82,97)(H,83,89)(H,84,96)(H,90,91)(H,101,102)(H4,72,73,74)/t35-,44-,45-,46-,47-,48-,56-,57-,69-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@@]([H])(NC(=O)[C@H](CCC(=O)N[H])NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CSSCCOC(=O)CCC(=O)Oc1ccc2nc3c(c(CC)c2c1)Cn1c-3cc2c(c1=O)COC(=O)[C@]2(O)CC)NC(C)=O)C(C)C)[C@@H](C)CC)C(=O)O	[H]NCCCCC(NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N[H])NC(=O)C([H])(NC(=O)C(CCC(=O)N[H])NC(=O)C(NC(=O)CNC(=O)C(CSSCCOC(=O)CCC(=O)Oc1ccc2nc3c(c(CC)c2c1)Cn1c-3cc2c(c1=O)COC(=O)C2(O)CC)NC(C)=O)C(C)C)C(C)CC)C(=O)O	PYXJMKBDYSLSJE-SGETVMGYSA-N	.							
PDC_02104	SN38(10)-(Ac)CRGDK	19	30	"InChI=1S/C48H63N11O15S2/c1-4-26-27-17-25(11-12-31(27)56-40-28(26)21-59-36(40)18-30-29(44(59)68)22-73-46(71)48(30,72)5-2)74-39(64)13-16-75-76-23-35(54-24(3)60)43(67)57-32(10-8-15-52-47(50)51)41(65)53-20-37(61)55-34(19-38(62)63)42(66)58-33(45(69)70)9-6-7-14-49/h11-12,17-18,32-35,72H,4-10,13-16,19-23,49H2,1-3H3,(H,53,65)(H,54,60)(H,55,61)(H,57,67)(H,58,66)(H,62,63)(H,69,70)(H4,50,51,52)/t32-,33-,34-,35-,48-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CSSCCC(=O)Oc1ccc2nc3c(c(CC)c2c1)Cn1c-3cc2c(c1=O)COC(=O)[C@]2(O)CC)NC(C)=O)C(=O)O	[H]NCCCCC(NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N[H])NC(=O)C(CSSCCC(=O)Oc1ccc2nc3c(c(CC)c2c1)Cn1c-3cc2c(c1=O)COC(=O)C2(O)CC)NC(C)=O)C(=O)O	GANGINIJDRQOAQ-RPGYJAJRSA-N	.							
PDC_02105	SN38(10)-4-(Ac)CRGDK	21	33	"InChI=1S/C51H67N11O17S2/c1-4-28-29-19-27(11-12-33(29)59-43-30(28)23-62-38(43)20-32-31(47(62)72)24-78-49(75)51(32,76)5-2)79-42(68)14-13-41(67)77-17-18-80-81-25-37(57-26(3)63)46(71)60-34(10-8-16-55-50(53)54)44(69)56-22-39(64)58-36(21-40(65)66)45(70)61-35(48(73)74)9-6-7-15-52/h11-12,19-20,34-37,76H,4-10,13-18,21-25,52H2,1-3H3,(H,56,69)(H,57,63)(H,58,64)(H,60,71)(H,61,70)(H,65,66)(H,73,74)(H4,53,54,55)/t34-,35-,36-,37-,51-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CSSCCOC(=O)CCC(=O)Oc1ccc2nc3c(c(CC)c2c1)Cn1c-3cc2c(c1=O)COC(=O)[C@]2(O)CC)NC(C)=O)C(=O)O	[H]NCCCCC(NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N[H])NC(=O)C(CSSCCOC(=O)CCC(=O)Oc1ccc2nc3c(c(CC)c2c1)Cn1c-3cc2c(c1=O)COC(=O)C2(O)CC)NC(C)=O)C(=O)O	MUWUFPUPGDQEDJ-ACSRCKLOSA-N	.							
PDC_02106	SN38(10)-5-(Ac)CRGDK	21	34	"InChI=1S/C52H69N11O17S2/c1-4-29-30-20-28(14-15-34(30)60-44-31(29)24-63-39(44)21-33-32(48(63)73)25-79-50(76)52(33,77)5-2)80-43(69)13-8-12-42(68)78-18-19-81-82-26-38(58-27(3)64)47(72)61-35(11-9-17-56-51(54)55)45(70)57-23-40(65)59-37(22-41(66)67)46(71)62-36(49(74)75)10-6-7-16-53/h14-15,20-21,35-38,77H,4-13,16-19,22-26,53H2,1-3H3,(H,57,70)(H,58,64)(H,59,65)(H,61,72)(H,62,71)(H,66,67)(H,74,75)(H4,54,55,56)/t35-,36-,37-,38-,52-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CSSCCOC(=O)CCCC(=O)Oc1ccc2nc3c(c(CC)c2c1)Cn1c-3cc2c(c1=O)COC(=O)[C@]2(O)CC)NC(C)=O)C(=O)O	[H]NCCCCC(NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N[H])NC(=O)C(CSSCCOC(=O)CCCC(=O)Oc1ccc2nc3c(c(CC)c2c1)Cn1c-3cc2c(c1=O)COC(=O)C2(O)CC)NC(C)=O)C(=O)O	CUMJTJALJONYML-YTSVLEJPSA-N	.							
PDC_02107	SN38(10)-CRRGDK	21	36	"InChI=1S/C52H73N15O15S2/c1-3-27-28-19-26(12-13-33(28)63-42-29(27)23-67-38(42)20-31-30(47(67)76)24-81-49(79)52(31,80)4-2)82-41(71)14-18-83-84-25-32(54)43(72)64-35(11-8-17-60-51(57)58)45(74)65-34(10-7-16-59-50(55)56)44(73)61-22-39(68)62-37(21-40(69)70)46(75)66-36(48(77)78)9-5-6-15-53/h12-13,19-20,32,34-37,80H,3-11,14-18,21-25,53-54H2,1-2H3,(H,61,73)(H,62,68)(H,64,72)(H,65,74)(H,66,75)(H,69,70)(H,77,78)(H4,55,56,59)(H4,57,58,60)/t32-,34-,35-,36-,37-,52-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CSSCCC(=O)Oc1ccc2nc3c(c(CC)c2c1)Cn1c-3cc2c(c1=O)COC(=O)[C@]2(O)CC)N[H])C(=O)O	[H]NCCCCC(NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CSSCCC(=O)Oc1ccc2nc3c(c(CC)c2c1)Cn1c-3cc2c(c1=O)COC(=O)C2(O)CC)N[H])C(=O)O	DGCULVXPRVPDFA-ANCZRUGZSA-N	.							
PDC_02108	SN38(10)-4-CDRGDK	23	37	"InChI=1S/C53H70N12O19S2/c1-3-27-28-18-26(10-11-33(28)61-44-29(27)23-65-38(44)19-31-30(49(65)77)24-83-51(80)53(31,81)4-2)84-43(72)13-12-42(71)82-16-17-85-86-25-32(55)45(73)64-37(21-41(69)70)48(76)62-34(9-7-15-58-52(56)57)46(74)59-22-39(66)60-36(20-40(67)68)47(75)63-35(50(78)79)8-5-6-14-54/h10-11,18-19,32,34-37,81H,3-9,12-17,20-25,54-55H2,1-2H3,(H,59,74)(H,60,66)(H,62,76)(H,63,75)(H,64,73)(H,67,68)(H,69,70)(H,78,79)(H4,56,57,58)/t32-,34-,35-,36-,37-,53-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CSSCCOC(=O)CCC(=O)Oc1ccc2nc3c(c(CC)c2c1)Cn1c-3cc2c(c1=O)COC(=O)[C@]2(O)CC)N[H])C(=O)O	[H]NCCCCC(NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N[H])NC(=O)C(CC(=O)O)NC(=O)C(CSSCCOC(=O)CCC(=O)Oc1ccc2nc3c(c(CC)c2c1)Cn1c-3cc2c(c1=O)COC(=O)C2(O)CC)N[H])C(=O)O	WYLWXFQITVIWAY-WSWONQJTSA-N	.							
PDC_02109	SN38(10)-4-(Ac)CDRGDK	23	37	"InChI=1S/C55H72N12O20S2/c1-4-29-30-19-28(11-12-34(30)63-46-31(29)24-67-40(46)20-33-32(51(67)80)25-86-53(83)55(33,84)5-2)87-45(75)14-13-44(74)85-17-18-88-89-26-39(61-27(3)68)50(79)66-38(22-43(72)73)49(78)64-35(10-8-16-59-54(57)58)47(76)60-23-41(69)62-37(21-42(70)71)48(77)65-36(52(81)82)9-6-7-15-56/h11-12,19-20,35-39,84H,4-10,13-18,21-26,56H2,1-3H3,(H,60,76)(H,61,68)(H,62,69)(H,64,78)(H,65,77)(H,66,79)(H,70,71)(H,72,73)(H,81,82)(H4,57,58,59)/t35-,36-,37-,38-,39-,55-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CSSCCOC(=O)CCC(=O)Oc1ccc2nc3c(c(CC)c2c1)Cn1c-3cc2c(c1=O)COC(=O)[C@]2(O)CC)NC(C)=O)C(=O)O	[H]NCCCCC(NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N[H])NC(=O)C(CC(=O)O)NC(=O)C(CSSCCOC(=O)CCC(=O)Oc1ccc2nc3c(c(CC)c2c1)Cn1c-3cc2c(c1=O)COC(=O)C2(O)CC)NC(C)=O)C(=O)O	NEYYWGVQXFLEQM-SWRQYSQUSA-N	.							
PDC_02110	SN38(10)-(Ac)CDRGDK	21	34	"InChI=1S/C52H68N12O18S2/c1-4-27-28-17-26(11-12-32(28)60-43-29(27)22-64-38(43)18-31-30(48(64)76)23-81-50(79)52(31,80)5-2)82-42(71)13-16-83-84-24-37(58-25(3)65)47(75)63-36(20-41(69)70)46(74)61-33(10-8-15-56-51(54)55)44(72)57-21-39(66)59-35(19-40(67)68)45(73)62-34(49(77)78)9-6-7-14-53/h11-12,17-18,33-37,80H,4-10,13-16,19-24,53H2,1-3H3,(H,57,72)(H,58,65)(H,59,66)(H,61,74)(H,62,73)(H,63,75)(H,67,68)(H,69,70)(H,77,78)(H4,54,55,56)/t33-,34-,35-,36-,37-,52-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CSSCCC(=O)Oc1ccc2nc3c(c(CC)c2c1)Cn1c-3cc2c(c1=O)COC(=O)[C@]2(O)CC)NC(C)=O)C(=O)O	[H]NCCCCC(NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N[H])NC(=O)C(CC(=O)O)NC(=O)C(CSSCCC(=O)Oc1ccc2nc3c(c(CC)c2c1)Cn1c-3cc2c(c1=O)COC(=O)C2(O)CC)NC(C)=O)C(=O)O	QDBPHTCFMPROTL-AFDIWUQYSA-N	.							
PDC_02111	SN38(20)-4-CRGDK	21	33	"InChI=1S/C49H65N11O16S2/c1-3-26-27-18-25(61)10-11-32(27)57-41-28(26)22-60-36(41)19-30-29(45(60)70)23-75-47(73)49(30,4-2)76-40(66)13-12-39(65)74-16-17-77-78-24-31(51)42(67)58-33(9-7-15-54-48(52)53)43(68)55-21-37(62)56-35(20-38(63)64)44(69)59-34(46(71)72)8-5-6-14-50/h10-11,18-19,31,33-35,61H,3-9,12-17,20-24,50-51H2,1-2H3,(H,55,68)(H,56,62)(H,58,67)(H,59,69)(H,63,64)(H,71,72)(H4,52,53,54)/t31-,33-,34-,35-,49-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CSSCCOC(=O)CCC(=O)O[C@]1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(O)cc1c2CC)N[H])C(=O)O	[H]NCCCCC(NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N[H])NC(=O)C(CSSCCOC(=O)CCC(=O)OC1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(O)cc1c2CC)N[H])C(=O)O	PIZHOWBZTOJVCO-XRTSIQPFSA-N	.							
PDC_02112	SN38(20)-CRGDK	19	30	"InChI=1S/C48H63N11O15S2/c1-4-26-27-17-25(61)11-12-31(27)56-40-28(26)21-59-36(40)18-30-29(44(59)69)22-73-46(72)48(30,5-2)74-39(65)13-16-75-76-23-35(54-24(3)60)43(68)57-32(10-8-15-52-47(50)51)41(66)53-20-37(62)55-34(19-38(63)64)42(67)58-33(45(70)71)9-6-7-14-49/h11-12,17-18,32-35,61H,4-10,13-16,19-23,49H2,1-3H3,(H,53,66)(H,54,60)(H,55,62)(H,57,68)(H,58,67)(H,63,64)(H,70,71)(H4,50,51,52)/t32-,33-,34-,35-,48-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CSSCCC(=O)O[C@]1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(O)cc1c2CC)NC(C)=O)C(=O)O	[H]NCCCCC(NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N[H])NC(=O)C(CSSCCC(=O)OC1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(O)cc1c2CC)NC(C)=O)C(=O)O	YOEOWROWJUPFDD-RPGYJAJRSA-N	.							
PDC_02113	(MOM)SN38(20)-CRGDK	20	32	"InChI=1S/C48H65N11O15S2/c1-4-26-27-17-25(73-24-71-3)11-12-32(27)56-40-28(26)21-59-36(40)18-30-29(44(59)67)22-72-46(70)48(30,5-2)74-39(63)13-16-75-76-23-31(50)41(64)57-33(10-8-15-53-47(51)52)42(65)54-20-37(60)55-35(19-38(61)62)43(66)58-34(45(68)69)9-6-7-14-49/h11-12,17-18,31,33-35H,4-10,13-16,19-24,49-50H2,1-3H3,(H,54,65)(H,55,60)(H,57,64)(H,58,66)(H,61,62)(H,68,69)(H4,51,52,53)/t31-,33-,34-,35-,48-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@@H](N)CSSCCC(=O)O[C@]1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(OCOC)cc1c2CC)C(=O)O	[H]NCCCCC(NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N[H])NC(=O)C(N)CSSCCC(=O)OC1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(OCOC)cc1c2CC)C(=O)O	XVOGWYZTLOSKOP-WWDCWLJKSA-N	.							
PDC_02114	(MOM)SN38(20)-(Ac)CRGDK	20	33	"InChI=1S/C50H67N11O16S2/c1-5-28-29-18-27(76-25-74-4)12-13-33(29)58-42-30(28)22-61-38(42)19-32-31(46(61)70)23-75-48(73)50(32,6-2)77-41(66)14-17-78-79-24-37(56-26(3)62)45(69)59-34(11-9-16-54-49(52)53)43(67)55-21-39(63)57-36(20-40(64)65)44(68)60-35(47(71)72)10-7-8-15-51/h12-13,18-19,34-37H,5-11,14-17,20-25,51H2,1-4H3,(H,55,67)(H,56,62)(H,57,63)(H,59,69)(H,60,68)(H,64,65)(H,71,72)(H4,52,53,54)/t34-,35-,36-,37-,50-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CSSCCC(=O)O[C@]1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(OCOC)cc1c2CC)NC(C)=O)C(=O)O	[H]NCCCCC(NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N[H])NC(=O)C(CSSCCC(=O)OC1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(OCOC)cc1c2CC)NC(C)=O)C(=O)O	JOGDEGBSVYGKCU-PPYDJLPDSA-N	.							
PDC_02115	(MOM)SN38(20)-(Ac)CGVQIRGDK	25	47	"InChI=1S/C68H98N16O21S2/c1-9-35(6)56(63(97)79-44(16-14-23-73-67(71)72)58(92)74-28-51(87)77-47(27-53(89)90)61(95)81-46(65(99)100)15-12-13-22-69)83-60(94)45(19-20-50(70)86)80-62(96)55(34(4)5)82-52(88)29-75-59(93)48(76-36(7)85)32-107-106-24-21-54(91)105-68(11-3)42-26-49-57-40(30-84(49)64(98)41(42)31-103-66(68)101)38(10-2)39-25-37(104-33-102-8)17-18-43(39)78-57/h17-18,25-26,34-35,44-48,55-56H,9-16,19-24,27-33,69H2,1-8H3,(H2,70,86)(H,74,92)(H,75,93)(H,76,85)(H,77,87)(H,79,97)(H,80,96)(H,81,95)(H,82,88)(H,83,94)(H,89,90)(H,99,100)(H4,71,72,73)/t35-,44-,45-,46-,47-,48-,55-,56-,68-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@@]([H])(NC(=O)[C@H](CCC(=O)N[H])NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CSSCCC(=O)O[C@]1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(OCOC)cc1c2CC)NC(C)=O)C(C)C)[C@@H](C)CC)C(=O)O	[H]NCCCCC(NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N[H])NC(=O)C([H])(NC(=O)C(CCC(=O)N[H])NC(=O)C(NC(=O)CNC(=O)C(CSSCCC(=O)OC1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(OCOC)cc1c2CC)NC(C)=O)C(C)C)C(C)CC)C(=O)O	WTTZDMFZYYXIRW-ODRJWNOJSA-N	.							
PDC_02116	Pentagastrin-(+)-duocarmycin SA conjugate	13	26	"InChI=1S/C58H62ClN9O13S/c1-79-46-24-32-22-43(64-50(32)52(81-3)51(46)80-2)58(78)68-29-34(27-59)49-36-15-14-31(21-37(36)45(69)26-44(49)68)54(74)61-18-16-47(70)63-41(23-33-28-62-38-13-9-8-12-35(33)38)56(76)65-39(17-19-82-4)55(75)67-42(25-48(71)72)57(77)66-40(53(60)73)20-30-10-6-5-7-11-30/h5-15,21-22,24,26,28,34,39-42,62,64,69H,16-20,23,25,27,29H2,1-4H3,(H2,60,73)(H,61,74)(H,63,70)(H,65,76)(H,66,77)(H,67,75)(H,71,72)/t34?,39-,40-,41-,42-/m0/s1"	COc1cc2cc(C(=O)N3CC(CCl)c4c3cc(O)c3cc(C(=O)NCCC(=O)N[C@@H](Cc5c[nH]c6ccccc56)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc5ccccc5)C(N)=O)ccc43)[nH]c2c(OC)c1OC	COc1cc2cc(C(=O)N3CC(CCl)c4c3cc(O)c3cc(C(=O)NCCC(=O)NC(Cc5c[nH]c6ccccc56)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(Cc5ccccc5)C(N)=O)ccc43)[nH]c2c(OC)c1OC	GZEHKMWDXZCLBD-HTJPSBPYSA-N	.							
PDC_02117	Peptide 18-4 analog doxorubicin conjugate	32	59	"InChI=1S/C103H136N20O29S/c1-8-9-24-64(94(140)115-67(34-36-79(129)130)93(139)112-51(4)90(136)111-52(5)91(137)117-68(41-55-29-31-57(125)32-30-55)97(143)116-66(33-35-76(106)126)96(142)113-65(26-19-37-109-102(107)108)95(141)119-69(40-54-20-12-10-13-21-54)98(144)120-71(101(147)148)39-50(2)3)114-99(145)70(42-56-47-110-63-25-16-15-22-58(56)63)118-92(138)62(105)49-153-74-44-78(128)123(100(74)146)38-17-11-14-28-77(127)122-121-75(48-124)103(149)45-60-82(73(46-103)152-80-43-61(104)85(131)53(6)151-80)89(135)84-83(87(60)133)86(132)59-23-18-27-72(150-7)81(59)88(84)134/h10,12-13,15-16,18,20-23,25,27,29-32,47,50-53,61-62,64-71,73-74,80,85,110,124-125,131,133,135,149H,8-9,11,14,17,19,24,26,28,33-46,48-49,104-105H2,1-7H3,(H2,106,126)(H,111,136)(H,112,139)(H,113,142)(H,114,145)(H,115,140)(H,116,143)(H,117,137)(H,118,138)(H,119,141)(H,120,144)(H,122,127)(H,129,130)(H,147,148)(H4,107,108,109)/b121-75-/t51-,52-,53-,61-,62-,64+,65-,66-,67-,68-,69-,70-,71-,73-,74?,80-,85+,103-/m0/s1"	[H]NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](CCCC)NC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](CSC1CC(=O)N(CCCCCC(=O)N/N=C(/CO)[C@]2(O)Cc3c(O)c4c(c(O)c3[C@@H](O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C2)C(=O)c2c(OC)cccc2C4=O)C1=O)N[H])C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)O	[H]NC(=O)CCC(NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(CCCC)NC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(CSC1CC(=O)N(CCCCCC(=O)NN=C(CO)C2(O)Cc3c(O)c4c(c(O)c3C(OC3CC(N)C(O)C(C)O3)C2)C(=O)c2c(OC)cccc2C4=O)C1=O)N[H])C(=O)NC(CCCN=C(N)N[H])C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)O	KKUQJRMHVNKKSQ-DQFKYDKXSA-N	.							
PDC_02118	Sal-A6	37	69	"InChI=1S/C115H188N22O36S2/c1-21-71(111(166)167)82-36-33-65(4)100(170-82)69(8)98(155)68(7)99(156)72(22-2)101-66(5)51-67(6)114(171-101)43-39-83(115(173-114)45-44-112(10,172-115)84-40-42-113(168,23-3)70(9)169-84)124-85(140)41-50-174-175-64-78(102(118)157)119-86(141)52-125(11)87(142)53-126(12)88(143)54-127(13)89(144)55-128(14)90(145)56-129(15)91(146)57-130(16)92(147)58-131(17)93(148)59-132(18)94(149)60-133(19)95(150)61-134(20)108(163)75(35-38-97(153)154)121-103(158)74(34-37-96(151)152)120-105(160)80-31-27-48-136(80)110(165)81-32-28-49-137(81)109(164)77(63-139)123-104(159)76(62-138)122-106(161)79-30-26-47-135(79)107(162)73(117)29-24-25-46-116/h39,43,65-84,98,100-101,138-139,155,168H,21-38,40-42,44-64,116-117H2,1-20H3,(H2,118,157)(H,119,141)(H,120,160)(H,121,158)(H,122,161)(H,123,159)(H,124,140)(H,151,152)(H,153,154)(H,166,167)/t65-,66-,67+,68-,69-,70-,71+,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82+,83+,84+,98+,100+,101-,112-,113+,114-,115-/m0/s1"	[H]NCCCC[C@H](N[H])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO[H])C(=O)N[C@@H](CO[H])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N[C@@H](CSSCCC(=O)N[C@@H]1C=C[C@]2(O[C@H]([C@@H](CC)C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]3O[C@@H]([C@@H](CC)C(=O)O)CC[C@@H]3C)[C@@H](C)C[C@H]2C)O[C@@]12CC[C@@](C)([C@H]1CC[C@](O)(CC)[C@H](C)O1)O2)C(N)=O	[H]NCCCCC(N[H])C(=O)N1CCCC1C(=O)NC(CO[H])C(=O)NC(CO[H])C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)NC(CSSCCC(=O)NC1C=CC2(OC(C(CC)C(=O)C(C)C(O)C(C)C3OC(C(CC)C(=O)O)CCC3C)C(C)CC2C)OC12CCC(C)(C1CCC(O)(CC)C(C)O1)O2)C(N)=O	XECCFKCLXXRYIB-ZOIRZUEKSA-N	.							
PDC_02119	FB006M-HSA	65	169	"InChI=1S/C202H303N53O72/c1-16-99(12)164(197(320)237-127(50-65-161(285)286)178(301)230-126(49-64-160(283)284)183(306)250-141(92-256)196(319)235-119(42-55-145(208)262)179(302)244-136(85-147(210)264)188(311)232-118(41-54-144(207)261)174(297)225-116(39-52-142(205)259)172(295)227-121(44-59-155(273)274)176(299)223-113(32-23-25-68-203)170(293)243-135(84-146(209)263)189(312)234-122(45-60-156(275)276)177(300)226-117(40-53-143(206)260)173(296)228-123(46-61-157(277)278)180(303)238-129(76-95(4)5)185(308)249-140(201(324)325)79-98(10)11)252-194(317)131(78-97(8)9)240-181(304)125(48-63-159(281)282)233-187(310)134(83-106-91-215-94-221-106)247-198(321)166(101(14)18-3)253-193(316)130(77-96(6)7)239-171(294)114(33-24-26-69-216-151(268)93-327-75-74-326-73-71-217-150(267)67-72-255-152(269)56-57-153(255)270)236-200(323)167(102(15)257)254-195(318)132(80-103-35-37-107(258)38-36-103)241-190(313)137(86-148(211)265)245-191(314)138(87-149(212)266)248-199(322)165(100(13)17-2)251-184(307)128(51-66-162(287)288)231-169(292)115(34-27-70-218-202(213)214)224-192(315)139(88-163(289)290)246-186(309)133(82-105-90-220-112-31-22-20-29-109(105)112)242-182(305)124(47-62-158(279)280)229-175(298)120(43-58-154(271)272)222-168(291)110(204)81-104-89-219-111-30-21-19-28-108(104)111/h19-22,28-31,35-38,56-57,89-91,94-102,110,113-141,164-167,219-220,256-258H,16-18,23-27,32-34,39-55,58-88,92-93,203-204H2,1-15H3,(H2,205,259)(H2,206,260)(H2,207,261)(H2,208,262)(H2,209,263)(H2,210,264)(H2,211,265)(H2,212,266)(H,215,221)(H,216,268)(H,217,267)(H,222,291)(H,223,299)(H,224,315)(H,225,297)(H,226,300)(H,227,295)(H,228,296)(H,229,298)(H,230,301)(H,231,292)(H,232,311)(H,233,310)(H,234,312)(H,235,319)(H,236,323)(H,237,320)(H,238,303)(H,239,294)(H,240,304)(H,241,313)(H,242,305)(H,243,293)(H,244,302)(H,245,314)(H,246,309)(H,247,321)(H,248,322)(H,249,308)(H,250,306)(H,251,307)(H,252,317)(H,253,316)(H,254,318)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,285,286)(H,287,288)(H,289,290)(H,324,325)(H4,213,214,218)/t99-,100-,101-,102+,110-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,164-,165-,166-,167-/m0/s1"	[H]NCCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N[H])NC(=O)[C@H](CCC(=O)N[H])NC(=O)[C@H](CC(=O)N[H])NC(=O)[C@H](CCC(=O)N[H])NC(=O)[C@H](CO[H])NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@]([H])(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1cn([H])cn1)NC(=O)[C@@]([H])(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)CCN1C(=O)C=CC1=O)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](CC(=O)N[H])NC(=O)[C@H](CC(=O)N[H])NC(=O)[C@@]([H])(NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1cn([H])c2ccccc12)N[H])[C@@H](C)CC)[C@@H](C)O[H])[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](CC(=O)N[H])C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N[H])C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O	[H]NCCCCC(NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)N[H])NC(=O)C(CCC(=O)N[H])NC(=O)C(CC(=O)N[H])NC(=O)C(CCC(=O)N[H])NC(=O)C(CO[H])NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C([H])(NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(Cc1cn([H])cn1)NC(=O)C([H])(NC(=O)C(CC(C)C)NC(=O)C(CCCCNC(=O)COCCOCCNC(=O)CCN1C(=O)C=CC1=O)NC(=O)C([H])(NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(CC(=O)N[H])NC(=O)C(CC(=O)N[H])NC(=O)C([H])(NC(=O)C(CCC(=O)O)NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CC(=O)O)NC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(Cc1cn([H])c2ccccc12)N[H])C(C)CC)C(C)O[H])C(C)CC)C(C)CC)C(=O)NC(CC(=O)N[H])C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)N[H])C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)O	QNWVQSLLLTZQPH-VIIPOJRNSA-N	.							
PDC_02120	Gefitinib LARLLT conjugate a	16	35	"InChI=1S/C57H86ClFN14O12/c1-31(2)24-42(53(79)65-34(7)51(77)68-40(12-10-17-62-57(60)61)52(78)69-43(25-32(3)4)54(80)70-44(26-33(5)6)55(81)71-49(35(8)74)56(82)83)67-47(75)15-16-48(76)73-21-19-72(20-22-73)18-11-23-85-46-28-37-41(29-45(46)84-9)63-30-64-50(37)66-36-13-14-39(59)38(58)27-36/h13-14,27-35,40,42-44,49,74H,10-12,15-26H2,1-9H3,(H,65,79)(H,67,75)(H,68,77)(H,69,78)(H,70,80)(H,71,81)(H,82,83)(H4,60,61,62)(H,63,64,66)/t34-,35+,40-,42-,43-,44-,49-/m0/s1"	[H]N/C(N)=N\CCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)CCC(=O)N1CCN(CCCOc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@]([H])(C(=O)O)[C@@H](C)O[H]	[H]NC(N)=NCCCC(NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)CCC(=O)N1CCN(CCCOc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC([H])(C(=O)O)C(C)O[H]	BNGYVFNUOVEMKI-VPBNKWJHSA-N	.							
PDC_02121	Gefitinib LARLLT conjugate b	16	36	"InChI=1S/C58H88ClFN14O12/c1-32(2)25-43(54(80)66-35(7)52(78)69-41(13-11-18-63-58(61)62)53(79)70-44(26-33(3)4)55(81)71-45(27-34(5)6)56(82)72-50(36(8)75)57(83)84)68-48(76)14-10-15-49(77)74-22-20-73(21-23-74)19-12-24-86-47-29-38-42(30-46(47)85-9)64-31-65-51(38)67-37-16-17-40(60)39(59)28-37/h16-17,28-36,41,43-45,50,75H,10-15,18-27H2,1-9H3,(H,66,80)(H,68,76)(H,69,78)(H,70,79)(H,71,81)(H,72,82)(H,83,84)(H4,61,62,63)(H,64,65,67)/t35-,36+,41-,43-,44-,45-,50-/m0/s1"	[H]N/C(N)=N\CCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)CCCC(=O)N1CCN(CCCOc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@]([H])(C(=O)O)[C@@H](C)O[H]	[H]NC(N)=NCCCC(NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)CCCC(=O)N1CCN(CCCOc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC([H])(C(=O)O)C(C)O[H]	UTFCXFQFWGVTHT-MPFHGFGPSA-N	.							
PDC_02122	Gefitinib LARLLT conjugate c	16	37	"InChI=1S/C59H90ClFN14O12/c1-33(2)26-44(55(81)67-36(7)53(79)70-42(14-12-19-64-59(62)63)54(80)71-45(27-34(3)4)56(82)72-46(28-35(5)6)57(83)73-51(37(8)76)58(84)85)69-49(77)15-10-11-16-50(78)75-23-21-74(22-24-75)20-13-25-87-48-30-39-43(31-47(48)86-9)65-32-66-52(39)68-38-17-18-41(61)40(60)29-38/h17-18,29-37,42,44-46,51,76H,10-16,19-28H2,1-9H3,(H,67,81)(H,69,77)(H,70,79)(H,71,80)(H,72,82)(H,73,83)(H,84,85)(H4,62,63,64)(H,65,66,68)/t36-,37+,42-,44-,45-,46-,51-/m0/s1"	[H]N/C(N)=N\CCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)CCCCC(=O)N1CCN(CCCOc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@]([H])(C(=O)O)[C@@H](C)O[H]	[H]NC(N)=NCCCC(NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)CCCCC(=O)N1CCN(CCCOc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC([H])(C(=O)O)C(C)O[H]	IGAFHSIFIHVPSH-QFOIJAHMSA-N	.							
PDC_02123	Gefitinib LARLLT conjugate d	16	38	"InChI=1S/C60H92ClFN14O12/c1-34(2)27-45(56(82)68-37(7)54(80)71-43(15-13-20-65-60(63)64)55(81)72-46(28-35(3)4)57(83)73-47(29-36(5)6)58(84)74-52(38(8)77)59(85)86)70-50(78)16-11-10-12-17-51(79)76-24-22-75(23-25-76)21-14-26-88-49-31-40-44(32-48(49)87-9)66-33-67-53(40)69-39-18-19-42(62)41(61)30-39/h18-19,30-38,43,45-47,52,77H,10-17,20-29H2,1-9H3,(H,68,82)(H,70,78)(H,71,80)(H,72,81)(H,73,83)(H,74,84)(H,85,86)(H4,63,64,65)(H,66,67,69)/t37-,38+,43-,45-,46-,47-,52-/m0/s1"	[H]N/C(N)=N/CCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)CCCCCC(=O)N1CCN(CCCOc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@]([H])(C(=O)O)[C@@H](C)O[H]	[H]NC(N)=NCCCC(NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)CCCCCC(=O)N1CCN(CCCOc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC([H])(C(=O)O)C(C)O[H]	ZBCABDHMOAQXQJ-MONKIMFOSA-N	.							
PDC_02124	Gefitinib LARLLT conjugate e	16	39	"InChI=1S/C61H94ClFN14O12/c1-35(2)28-46(57(83)69-38(7)55(81)72-44(16-14-21-66-61(64)65)56(82)73-47(29-36(3)4)58(84)74-48(30-37(5)6)59(85)75-53(39(8)78)60(86)87)71-51(79)17-12-10-11-13-18-52(80)77-25-23-76(24-26-77)22-15-27-89-50-32-41-45(33-49(50)88-9)67-34-68-54(41)70-40-19-20-43(63)42(62)31-40/h19-20,31-39,44,46-48,53,78H,10-18,21-30H2,1-9H3,(H,69,83)(H,71,79)(H,72,81)(H,73,82)(H,74,84)(H,75,85)(H,86,87)(H4,64,65,66)(H,67,68,70)/t38-,39+,44-,46-,47-,48-,53-/m0/s1"	[H]N/C(N)=N/CCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)CCCCCCC(=O)N1CCN(CCCOc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@]([H])(C(=O)O)[C@@H](C)O[H]	[H]NC(N)=NCCCC(NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)CCCCCCC(=O)N1CCN(CCCOc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC([H])(C(=O)O)C(C)O[H]	RXSCAHABMLMQCR-SMEWLYCLSA-N	.							
PDC_02125	cyclo[DKP-isoDGR]-PEG<sub>4</sub>-GPLG-PABC-MMAE	30	58	"InChI=1S/C104H157N23O27/c1-15-64(8)91(80(148-13)51-87(134)125-38-20-25-77(125)93(149-14)65(9)94(137)113-66(10)92(136)70-22-17-16-18-23-70)122(11)101(144)89(62(4)5)119-99(142)90(63(6)7)123(12)104(147)154-59-69-31-33-71(34-32-69)114-84(131)55-112-96(139)74(48-61(2)3)117-97(140)78-26-21-39-126(78)88(135)56-110-81(128)36-35-72-58-124(121-120-72)40-41-150-42-43-151-44-45-152-46-47-153-60-86(133)108-52-67-27-29-68(30-28-67)57-127-79-53-111-95(138)73(24-19-37-107-103(105)106)115-85(132)54-109-82(129)50-76(102(145)146)116-83(130)49-75(100(127)143)118-98(79)141/h16-18,22-23,27-34,58,61-66,73-80,89-93,136H,15,19-21,24-26,35-57,59-60H2,1-14H3,(H,108,133)(H,109,129)(H,110,128)(H,111,138)(H,112,139)(H,113,137)(H,114,131)(H,115,132)(H,116,130)(H,117,140)(H,118,141)(H,119,142)(H,145,146)(H4,105,106,107)/t64-,65+,66+,73-,74-,75-,76-,77-,78-,79-,80+,89-,90-,91-,92+,93+/m0/s1"	CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)CCc2cn(CCOCCOCCOCCOCC(=O)NCc3ccc(CN4C(=O)[C@@H]5CC(=O)N[C@H](C(=O)O)CC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NC[C@H]4C(=O)N5)cc3)nn2)cc1)C(C)C	CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(C)C(O)c1ccccc1)OC)N(C)C(=O)C(NC(=O)C(C(C)C)N(C)C(=O)OCc1ccc(NC(=O)CNC(=O)C(CC(C)C)NC(=O)C2CCCN2C(=O)CNC(=O)CCc2cn(CCOCCOCCOCCOCC(=O)NCc3ccc(CN4C(=O)C5CC(=O)NC(C(=O)O)CC(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)NCC4C(=O)N5)cc3)nn2)cc1)C(C)C	FIFFPOQTGNFQTL-UGSAJWFESA-N	.							
PDC_02126	MLS-HTPP	.	.	.	.	.	.	.							
PDC_02127	Peptide 18-4  doxorubicin conjugate 1	28	52	"InChI=1S/C94H120N14O28/c1-8-18-60(102-86(123)58(96)40-52-44-99-59-23-13-12-21-54(52)59)88(125)104-63(33-35-72(113)114)87(124)101-47(4)84(121)100-48(5)85(122)106-64(39-51-28-30-53(109)31-29-51)91(128)105-62(32-34-70(97)111)90(127)103-61(89(126)107-65(38-50-19-10-9-11-20-50)92(129)108-66(93(130)131)37-46(2)3)24-14-15-36-98-71(112)26-17-27-73(115)134-45-69(110)94(132)42-56-76(68(43-94)136-74-41-57(95)79(116)49(6)135-74)83(120)78-77(81(56)118)80(117)55-22-16-25-67(133-7)75(55)82(78)119/h9-13,16,19-23,25,28-31,44,46-49,57-58,60-66,68,74,79,99,109,116,118,120,132H,8,14-15,17-18,24,26-27,32-43,45,95-96H2,1-7H3,(H2,97,111)(H,98,112)(H,100,121)(H,101,124)(H,102,123)(H,103,127)(H,104,125)(H,105,128)(H,106,122)(H,107,126)(H,108,129)(H,113,114)(H,130,131)/t47-,48-,49-,57-,58-,60+,61+,62-,63-,64-,65-,66-,68-,74-,79+,94-/m0/s1"	[H]NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](CCC)NC(=O)[C@H](Cc1cn([H])c2ccccc12)N[H])C(=O)N[C@H](CCCCNC(=O)CCCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)O	[H]NC(=O)CCC(NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(CCC)NC(=O)C(Cc1cn([H])c2ccccc12)N[H])C(=O)NC(CCCCNC(=O)CCCC(=O)OCC(=O)C1(O)Cc2c(O)c3c(c(O)c2C(OC2CC(N)C(O)C(C)O2)C1)C(=O)c1c(OC)cccc1C3=O)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)O	KDBYEESNILWGMU-WWKJTECKSA-N	.							
PDC_02128	Peptide 18-4  doxorubicin conjugate 2	27	52	"InChI=1S/C94H120N14O28/c1-8-18-59(102-86(124)57(95)40-52-44-98-58-23-13-12-21-54(52)58)88(126)104-62(33-35-73(115)116)87(125)100-47(4)84(122)99-48(5)85(123)106-64(39-51-28-30-53(110)31-29-51)91(129)105-61(32-34-70(96)112)90(128)103-60(89(127)107-65(38-50-19-10-9-11-20-50)92(130)108-66(93(131)132)37-46(2)3)24-14-15-36-97-71(113)26-17-27-72(114)101-63-41-74(135-49(6)79(63)117)136-68-43-94(133,69(111)45-109)42-56-76(68)83(121)78-77(81(56)119)80(118)55-22-16-25-67(134-7)75(55)82(78)120/h9-13,16,19-23,25,28-31,44,46-49,57,59-66,68,74,79,98,109-110,117,119,121,133H,8,14-15,17-18,24,26-27,32-43,45,95H2,1-7H3,(H2,96,112)(H,97,113)(H,99,122)(H,100,125)(H,101,114)(H,102,124)(H,103,128)(H,104,126)(H,105,129)(H,106,123)(H,107,127)(H,108,130)(H,115,116)(H,131,132)/t47-,48-,49-,57-,59+,60+,61-,62-,63-,64-,65-,66-,68-,74-,79+,94-/m0/s1"	[H]NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](CCC)NC(=O)[C@H](Cc1cn([H])c2ccccc12)N[H])C(=O)N[C@H](CCCCNC(=O)CCCC(=O)N[C@H]1C[C@H](O[C@H]2C[C@](O)(C(=O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)O[C@@H](C)[C@H]1O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)O	[H]NC(=O)CCC(NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(CCC)NC(=O)C(Cc1cn([H])c2ccccc12)N[H])C(=O)NC(CCCCNC(=O)CCCC(=O)NC1CC(OC2CC(O)(C(=O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)OC(C)C1O)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)O	USPVWEWHAVFFLR-TUYOCNFHSA-N	.							
PDC_02129	GPU-201	16	34	"InChI=1S/C64H92B10N18O16/c75-63(76)81-29-13-23-41-55(101)83-35-51(95)85-47(33-53(97)98)61(107)91-45(31-37-15-3-1-4-16-37)59(105)89-43(57(103)87-41)21-7-9-27-79-49(93)25-11-19-39-40(66-68-70-72-74-73-71-69-67-65-39)20-12-26-50(94)80-28-10-8-22-44-58(104)88-42(24-14-30-82-64(77)78)56(102)84-36-52(96)86-48(34-54(99)100)62(108)92-46(60(106)90-44)32-38-17-5-2-6-18-38/h1-6,15-18,41-48H,7-14,19-36H2,(H,79,93)(H,80,94)(H,83,101)(H,84,102)(H,85,95)(H,86,96)(H,87,103)(H,88,104)(H,89,105)(H,90,106)(H,91,107)(H,92,108)(H,97,98)(H,99,100)(H4,75,76,81)(H4,77,78,82)/t41-,42-,43-,44-,45+,46+,47-,48-/m0/s1"	NC(N)=NCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)CCCC2=C(CCCC(=O)NCCCC[C@@H]3NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC3=O)/B=B/B=B/B=B\B=B\B=B\2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O	NC(N)=NCCCC1NC(=O)C(CCCCNC(=O)CCCC2=C(CCCC(=O)NCCCCC3NC(=O)C(Cc4ccccc4)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N)NC3=O)B=BB=BB=BB=BB=B2)NC(=O)C(Cc2ccccc2)NC(=O)C(CC(=O)O)NC(=O)CNC1=O	AVUWUXXMZZLDHR-MBOKABMLSA-N	.							
PDC_02130	BBB1-Lys(BBB1)-(sarcosine)<sub>3</sub>-TATE	22	39	"InChI=1S/C84H103B20N15O20S2/c1-48(120)72-82(134)114-68(81(133)116-73(49(2)121)84(136)137)47-141-140-46-67(80(132)111-65(36-51-21-27-57(122)28-22-51)78(130)112-66(37-54-40-107-61-18-10-9-17-60(54)61)79(131)109-62(76(128)115-72)19-11-13-33-105)113-77(129)64(35-50-15-7-6-8-16-50)108-69(123)41-117(3)70(124)42-118(4)71(125)43-119(5)83(135)63(110-75(127)53-25-31-59(32-26-53)139-45-56-39-86-90-94-98-102-104-100-96-92-88-56)20-12-14-34-106-74(126)52-23-29-58(30-24-52)138-44-55-38-85-89-93-97-101-103-99-95-91-87-55/h6-10,15-18,21-32,38-40,48-49,62-68,72-73,107,120-122H,11-14,19-20,33-37,41-47,105H2,1-5H3,(H,106,126)(H,108,123)(H,109,131)(H,110,127)(H,111,132)(H,112,130)(H,113,129)(H,114,134)(H,115,128)(H,116,133)(H,136,137)/t48-,49-,62+,63+,64-,65+,66-,67+,68+,72+,73+/m1/s1"	C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C(=O)CN(C)C(=O)CN(C)C(=O)[C@H](CCCCNC(=O)c2ccc(OCC3=C/B=B/B=B/B=B\B=B\B=B\3)cc2)NC(=O)c2ccc(OCC3=C/B=B/B=B/B=B\B=B\B=B\3)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)O	CC(O)C(NC(=O)C1CSSCC(NC(=O)C(Cc2ccccc2)NC(=O)CN(C)C(=O)CN(C)C(=O)CN(C)C(=O)C(CCCCNC(=O)c2ccc(OCC3=CB=BB=BB=BB=BB=B3)cc2)NC(=O)c2ccc(OCC3=CB=BB=BB=BB=BB=B3)cc2)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)N1)C(=O)O	KIGUDLZQIDVKOD-WMJZINPFSA-N	.							
PDC_02131	POSS-p18-4-Ce6(PPC)	53	104	"InChI=1S/C183H231N35O58Si8/c1-18-30-124(211-173(252)122(184)88-111-97-200-123-34-27-26-33-119(111)123)175(254)213-127(43-58-157(234)235)174(253)202-107(16)171(250)201-108(17)172(251)215-140(87-110-36-38-112(219)39-37-110)178(257)214-126(42-44-143(185)220)177(256)212-125(176(255)216-141(86-109-31-24-23-25-32-109)179(258)217-142(180(259)260)85-98(6)7)35-28-64-199-183(186)218-156(233)52-51-146(223)187-65-29-77-277-265-278(78-70-192-149(226)49-47-147(224)190-68-66-188-144(221)45-40-117-103(12)132-91-128-99(8)113(19-2)136(203-128)93-130-101(10)115(21-4)138(205-130)95-134-105(14)165(181(261)262)169(209-134)120(89-163(246)247)167(117)207-132)268-281(82-74-196-153(230)55-61-160(240)241)270-279(266-277,79-72-194-151(228)53-59-158(236)237)272-283(84-76-198-155(232)57-63-162(244)245)273-280(267-277,80-73-195-152(229)54-60-159(238)239)271-282(269-278,83-75-197-154(231)56-62-161(242)243)275-284(274-281,276-283)81-71-193-150(227)50-48-148(225)191-69-67-189-145(222)46-41-118-104(13)133-92-129-100(9)114(20-3)137(204-129)94-131-102(11)116(22-5)139(206-131)96-135-106(15)166(182(263)264)170(210-135)121(90-164(248)249)168(118)208-133/h19-20,23-27,31-34,36-39,47-57,59-63,91-98,103-104,107-108,117-118,122,124-127,140-142,200,203-206,219H,2-3,18,21-22,28-30,35,40-46,58,64-90,184H2,1,4-17H3,(H2,185,220)(H,187,223)(H,188,221)(H,189,222)(H,190,224)(H,191,225)(H,192,226)(H,193,227)(H,194,228)(H,195,229)(H,196,230)(H,197,231)(H,198,232)(H,201,250)(H,202,253)(H,211,252)(H,212,256)(H,213,254)(H,214,257)(H,215,251)(H,216,255)(H,217,258)(H,234,235)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,259,260)(H,261,262)(H,263,264)(H3,186,199,218,233)/b49-47-,50-48-,52-51+,59-53-,60-54-,61-55-,62-56-,63-57-,128-91?,129-92?,130-93?,131-94?,132-91?,133-92?,134-95?,135-96?,136-93?,137-94?,138-95?,139-96?,167-120?,168-121?,169-120?,170-121?/t103-,104-,107-,108-,117-,118-,122-,124+,125+,126-,127-,140-,141-,142-,277?,278?,279?,280?,281?,282?,283?,284?/m0/s1"	[H]NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](CCC)NC(=O)[C@H](Cc1cn([H])c2ccccc12)N[H])C(=O)N[C@H](CCCNC(=N)NC(=O)/C=C/C(=O)NCCC[Si]12O[Si]3(CCNC(=O)/C=C\C(=O)O)O[Si]4(CCNC(=O)/C=C\C(=O)O)O[Si](CCNC(=O)/C=C\C(=O)O)(O1)O[Si]1(CCNC(=O)/C=C\C(=O)O)O[Si](CCNC(=O)/C=C\C(=O)NCCNC(=O)CC[C@@H]5c6nc(cc7[nH]c(cc8[nH]c(cc9nc(c6CC(=O)O)C(C(=O)O)=C9C)c(CC)c8C)c(C=C)c7C)[C@H]5C)(O2)O[Si](CCNC(=O)/C=C\C(=O)O)(O3)O[Si](CCNC(=O)/C=C\C(=O)NCCNC(=O)CC[C@@H]2c3nc(cc5[nH]c(cc6[nH]c(cc7nc(c3CC(=O)O)C(C(=O)O)=C7C)c(CC)c6C)c(C=C)c5C)[C@H]2C)(O4)O1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)O	[H]NC(=O)CCC(NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(CCC)NC(=O)C(Cc1cn([H])c2ccccc12)N[H])C(=O)NC(CCCNC(=N)NC(=O)C=CC(=O)NCCC[Si]12O[Si]3(CCNC(=O)C=CC(=O)O)O[Si]4(CCNC(=O)C=CC(=O)O)O[Si](CCNC(=O)C=CC(=O)O)(O1)O[Si]1(CCNC(=O)C=CC(=O)O)O[Si](CCNC(=O)C=CC(=O)NCCNC(=O)CCC5c6nc(cc7[nH]c(cc8[nH]c(cc9nc(c6CC(=O)O)C(C(=O)O)=C9C)c(CC)c8C)c(C=C)c7C)C5C)(O2)O[Si](CCNC(=O)C=CC(=O)O)(O3)O[Si](CCNC(=O)C=CC(=O)NCCNC(=O)CCC2c3nc(cc5[nH]c(cc6[nH]c(cc7nc(c3CC(=O)O)C(C(=O)O)=C7C)c(CC)c6C)c(C=C)c5C)C2C)(O4)O1)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)O	FZXSHIKBCBYJSX-WGVXLNNASA-N	.							
PDC_02132	ANG1009	75	111	"InChI=1S/C203H251N29O76/c1-91(234)163(231-148(242)49-54-156(252)305-179-170(258)176-143(87-287-95(5)299-176)302-201(179)308-173-111-75-134-131(293-90-296-134)72-108(111)159(162-114(173)84-290-198(162)278)103-68-139(283-10)167(255)140(69-103)284-11)193(272)229-124(61-98-31-19-14-20-32-98)189(268)225-123(60-97-29-17-13-18-30-97)188(267)224-121(62-99-37-41-104(236)42-38-99)181(260)215-78-149(243)214-79-150(244)218-128(81-233)192(271)219-115(35-25-57-212-202(206)207)180(259)216-80-151(245)217-116(33-21-23-55-210-146(240)47-52-154(250)303-177-168(256)174-141(85-285-93(3)297-174)300-199(177)306-171-109-73-132-129(291-88-294-132)70-106(109)157(160-112(171)82-288-196(160)276)101-64-135(279-6)165(253)136(65-101)280-7)182(261)220-118(36-26-58-213-203(208)209)183(262)227-125(76-144(204)238)191(270)228-126(77-145(205)239)190(269)226-122(59-96-27-15-12-16-28-96)187(266)221-117(186(265)232-164(92(2)235)194(273)223-120(46-51-153(248)249)184(263)222-119(45-50-152(246)247)185(264)230-127(195(274)275)63-100-39-43-105(237)44-40-100)34-22-24-56-211-147(241)48-53-155(251)304-178-169(257)175-142(86-286-94(4)298-175)301-200(178)307-172-110-74-133-130(292-89-295-133)71-107(110)158(161-113(172)83-289-197(161)277)102-66-137(281-8)166(254)138(67-102)282-9/h12-20,27-32,37-44,64-75,91-95,112-128,141-143,157-164,168-179,199-201,233-237,253-258H,21-26,33-36,45-63,76-90H2,1-11H3,(H2,204,238)(H2,205,239)(H,210,240)(H,211,241)(H,214,243)(H,215,260)(H,216,259)(H,217,245)(H,218,244)(H,219,271)(H,220,261)(H,221,266)(H,222,263)(H,223,273)(H,224,267)(H,225,268)(H,226,269)(H,227,262)(H,228,270)(H,229,272)(H,230,264)(H,231,242)(H,232,265)(H,246,247)(H,248,249)(H,274,275)(H4,206,207,212)(H4,208,209,213)/t91-,92-,93-,94-,95-,112+,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128+,141-,142-,143-,157-,158-,159-,160+,161+,162+,163+,164+,168+,169+,170+,171-,172-,173-,174-,175-,176-,177-,178-,179-,199+,200+,201+/m1/s1"	[H]NC(=O)C[C@H](NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CCCCNC(=O)CCC(=O)O[C@H]1[C@H](O[C@@H]2c3cc4c(cc3[C@@H](c3cc(OC)c(O)c(OC)c3)[C@H]3C(=O)OC[C@@H]32)OCO4)O[C@@H]2CO[C@@H](C)O[C@H]2[C@@H]1O)NC(=O)CNC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)[C@H](CO[H])NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]([H])(NC(=O)CCC(=O)O[C@H]1[C@H](O[C@@H]2c3cc4c(cc3[C@@H](c3cc(OC)c(O)c(OC)c3)[C@H]3C(=O)OC[C@@H]32)OCO4)O[C@@H]2CO[C@@H](C)O[C@H]2[C@@H]1O)[C@@H](C)O[H])C(=O)N[C@@H](CC(=O)N[H])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)O[C@H]1[C@H](O[C@@H]2c3cc4c(cc3[C@@H](c3cc(OC)c(O)c(OC)c3)[C@H]3C(=O)OC[C@@H]32)OCO4)O[C@@H]2CO[C@@H](C)O[C@H]2[C@@H]1O)C(=O)N[C@]([H])(C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)O)[C@@H](C)O[H]	[H]NC(=O)CC(NC(=O)C(CCCN=C(N)N[H])NC(=O)C(CCCCNC(=O)CCC(=O)OC1C(OC2c3cc4c(cc3C(c3cc(OC)c(O)c(OC)c3)C3C(=O)OCC23)OCO4)OC2COC(C)OC2C1O)NC(=O)CNC(=O)C(CCCN=C(N)N[H])NC(=O)C(CO[H])NC(=O)CNC(=O)CNC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C([H])(NC(=O)CCC(=O)OC1C(OC2c3cc4c(cc3C(c3cc(OC)c(O)c(OC)c3)C3C(=O)OCC23)OCO4)OC2COC(C)OC2C1O)C(C)O[H])C(=O)NC(CC(=O)N[H])C(=O)NC(Cc1ccccc1)C(=O)NC(CCCCNC(=O)CCC(=O)OC1C(OC2c3cc4c(cc3C(c3cc(OC)c(O)c(OC)c3)C3C(=O)OCC23)OCO4)OC2COC(C)OC2C1O)C(=O)NC([H])(C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1ccc(O[H])cc1)C(=O)O)C(C)O[H]	KLGGFSXGJVPZFC-AGKKCBCGSA-N	.							
PDC_02133	Vancomycin-PEG<sub>3</sub>-TP10	59	109	"InChI=1S/C181H272Cl2N38O53/c1-27-91(17)139(172(256)208-121(76-132(188)227)169(253)207-118(65-88(11)12)166(250)202-111(38-30-34-53-185)159(243)195-97(23)157(241)204-116(63-86(7)8)164(248)196-94(20)154(238)193-95(21)156(240)203-117(64-87(9)10)165(249)197-96(22)155(239)200-112(39-31-35-54-186)160(244)201-113(40-32-36-55-187)162(246)212-140(92(18)28-2)173(257)210-123(178(262)263)67-90(15)16)211-161(245)110(37-29-33-52-184)198-135(230)80-192-158(242)115(62-85(5)6)205-167(251)119(66-89(13)14)206-168(252)120(68-99-41-46-104(223)47-42-99)199-136(231)79-191-153(237)93(19)194-171(255)124-81-221(220-219-124)83-268-60-59-267-58-57-266-56-51-134(229)218-181(25)78-137(269-98(24)152(181)236)273-151-149(235)148(234)131(82-222)272-180(151)274-150-129-72-103-73-130(150)271-128-50-45-102(71-109(128)183)147(233)145-177(261)215-143(179(264)265)107-74-105(224)75-126(226)138(107)106-69-100(43-48-125(106)225)141(174(258)217-145)214-175(259)142(103)213-170(254)122(77-133(189)228)209-176(260)144(216-163(247)114(190-26)61-84(3)4)146(232)101-44-49-127(270-129)108(182)70-101/h41-50,69-75,81,84-98,110-123,131,137,139-149,151-152,180,190,222-226,232-236H,27-40,51-68,76-80,82-83,184-187H2,1-26H3,(H2,188,227)(H2,189,228)(H,191,237)(H,192,242)(H,193,238)(H,194,255)(H,195,243)(H,196,248)(H,197,249)(H,198,230)(H,199,231)(H,200,239)(H,201,244)(H,202,250)(H,203,240)(H,204,241)(H,205,251)(H,206,252)(H,207,253)(H,208,256)(H,209,260)(H,210,257)(H,211,245)(H,212,246)(H,213,254)(H,214,259)(H,215,261)(H,216,247)(H,217,258)(H,218,229)(H,262,263)(H,264,265)/t91-,92-,93-,94-,95-,96-,97-,98-,110-,111-,112-,113-,114+,115-,116-,117-,118-,119-,120-,121-,122-,123-,131+,137-,139-,140-,141+,142+,143-,144+,145-,146+,147+,148+,149-,151+,152+,180-,181-/m0/s1"	[H]NCCCC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)c1cn(COCCOCCOCCC(=O)N[C@@]2(C)C[C@H](O[C@H]3[C@H](Oc4c5cc6cc4Oc4ccc(cc4Cl)[C@@H](O)[C@@H](NC(=O)[C@@H](CC(C)C)NC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]6C(=O)N[C@H]4C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c6cc(O)cc(O)c6-c6cc4ccc6O)[C@H](O)c4ccc(c(Cl)c4)O5)O[C@H](CO)[C@@H](O)[C@@H]3O)O[C@@H](C)[C@H]2O)nn1)C(=O)N[C@]([H])(C(=O)N[C@@H](CC(=O)N[H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](CCCCN[H])C(=O)N[C@]([H])(C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC)[C@@H](C)CC	[H]NCCCCC(NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)CNC(=O)C(C)NC(=O)c1cn(COCCOCCOCCC(=O)NC2(C)CC(OC3C(Oc4c5cc6cc4Oc4ccc(cc4Cl)C(O)C4NC(=O)C(NC(=O)C6NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(CC(C)C)NC)C(O)c6ccc(c(Cl)c6)O5)c5ccc(O)c(c5)-c5c(O)cc(O)cc5C(C(=O)O)NC4=O)OC(CO)C(O)C3O)OC(C)C2O)nn1)C(=O)NC([H])(C(=O)NC(CC(=O)N[H])C(=O)NC(CC(C)C)C(=O)NC(CCCCN[H])C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCCCN[H])C(=O)NC(CCCCN[H])C(=O)NC([H])(C(=O)NC(CC(C)C)C(=O)O)C(C)CC)C(C)CC	LJOXEOMOPWCPIP-JOQAWALDSA-N	.							
PDC_02134	Vancomycin-PEG<sub>4</sub>-TP10	60	112	"InChI=1S/C183H276Cl2N38O54/c1-27-93(17)141(174(258)210-123(78-134(190)229)171(255)209-120(67-90(11)12)168(252)204-113(38-30-34-53-187)161(245)197-99(23)159(243)206-118(65-88(7)8)166(250)198-96(20)156(240)195-97(21)158(242)205-119(66-89(9)10)167(251)199-98(22)157(241)202-114(39-31-35-54-188)162(246)203-115(40-32-36-55-189)164(248)214-142(94(18)28-2)175(259)212-125(180(264)265)69-92(15)16)213-163(247)112(37-29-33-52-186)200-137(232)82-194-160(244)117(64-87(5)6)207-169(253)121(68-91(13)14)208-170(254)122(70-101-41-46-106(225)47-42-101)201-138(233)81-193-155(239)95(19)196-173(257)126-83-223(222-221-126)85-271-62-61-270-60-59-269-58-57-268-56-51-136(231)220-183(25)80-139(272-100(24)154(183)238)276-153-151(237)150(236)133(84-224)275-182(153)277-152-131-74-105-75-132(152)274-130-50-45-104(73-111(130)185)149(235)147-179(263)217-145(181(266)267)109-76-107(226)77-128(228)140(109)108-71-102(43-48-127(108)227)143(176(260)219-147)216-177(261)144(105)215-172(256)124(79-135(191)230)211-178(262)146(218-165(249)116(192-26)63-86(3)4)148(234)103-44-49-129(273-131)110(184)72-103/h41-50,71-77,83,86-100,112-125,133,139,141-151,153-154,182,192,224-228,234-238H,27-40,51-70,78-82,84-85,186-189H2,1-26H3,(H2,190,229)(H2,191,230)(H,193,239)(H,194,244)(H,195,240)(H,196,257)(H,197,245)(H,198,250)(H,199,251)(H,200,232)(H,201,233)(H,202,241)(H,203,246)(H,204,252)(H,205,242)(H,206,243)(H,207,253)(H,208,254)(H,209,255)(H,210,258)(H,211,262)(H,212,259)(H,213,247)(H,214,248)(H,215,256)(H,216,261)(H,217,263)(H,218,249)(H,219,260)(H,220,231)(H,264,265)(H,266,267)/t93-,94-,95-,96-,97-,98-,99-,100-,112-,113-,114-,115-,116+,117-,118-,119-,120-,121-,122-,123-,124-,125-,133+,139-,141-,142-,143+,144+,145-,146+,147-,148+,149+,150+,151-,153+,154+,182-,183-/m0/s1"	[H]NCCCC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)c1cn(COCCOCCOCCOCCC(=O)N[C@@]2(C)C[C@H](O[C@H]3[C@H](Oc4c5cc6cc4Oc4ccc(cc4Cl)[C@@H](O)[C@@H](NC(=O)[C@@H](CC(C)C)NC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]6C(=O)N[C@H]4C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c6cc(O)cc(O)c6-c6cc4ccc6O)[C@H](O)c4ccc(c(Cl)c4)O5)O[C@H](CO)[C@@H](O)[C@@H]3O)O[C@@H](C)[C@H]2O)nn1)C(=O)N[C@]([H])(C(=O)N[C@@H](CC(=O)N[H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](CCCCN[H])C(=O)N[C@]([H])(C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC)[C@@H](C)CC	[H]NCCCCC(NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)CNC(=O)C(C)NC(=O)c1cn(COCCOCCOCCOCCC(=O)NC2(C)CC(OC3C(Oc4c5cc6cc4Oc4ccc(cc4Cl)C(O)C4NC(=O)C(NC(=O)C6NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(CC(C)C)NC)C(O)c6ccc(c(Cl)c6)O5)c5ccc(O)c(c5)-c5c(O)cc(O)cc5C(C(=O)O)NC4=O)OC(CO)C(O)C3O)OC(C)C2O)nn1)C(=O)NC([H])(C(=O)NC(CC(=O)N[H])C(=O)NC(CC(C)C)C(=O)NC(CCCCN[H])C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCCCN[H])C(=O)NC(CCCCN[H])C(=O)NC([H])(C(=O)NC(CC(C)C)C(=O)O)C(C)CC)C(C)CC	PTZNVTJUIFQQRK-LRZAVPOLSA-N	.							
PDC_02135	FITC-WXEAAYQK(D)FL cyclic peptide conjugate	20	27	"InChI=1S/C87H103N15O20S/c1-6-7-18-62-78(113)97-65(32-34-74(108)109)77(112)93-47(4)75(110)92-48(5)76(111)99-67(40-50-21-24-53(103)25-22-50)82(117)98-64(31-33-72(88)106)80(115)95-63(79(114)101-68(39-49-15-9-8-10-16-49)83(118)100-66(38-46(2)3)81(116)102-69(84(119)96-62)41-51-45-91-61-19-12-11-17-56(51)61)20-13-14-36-89-73(107)35-37-90-86(123)94-52-23-28-58-57(42-52)85(120)122-87(58)59-29-26-54(104)43-70(59)121-71-44-55(105)27-30-60(71)87/h8-12,15-17,19,21-30,42-48,62-69,91,103-105H,6-7,13-14,18,20,31-41H2,1-5H3,(H2,88,106)(H,89,107)(H,92,110)(H,93,112)(H,95,115)(H,96,119)(H,97,113)(H,98,117)(H,99,111)(H,100,118)(H,101,114)(H,102,116)(H,108,109)(H2,90,94,123)/t47-,48-,62-,63+,64-,65-,66-,67-,68-,69-/m0/s1"	[H]NC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccc(O[H])cc2)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCC)NC(=O)[C@H](Cc2cn([H])c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCCNC(=O)CCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)NC1=O	[H]NC(=O)CCC1NC(=O)C(Cc2ccc(O[H])cc2)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(CCCC)NC(=O)C(Cc2cn([H])c3ccccc23)NC(=O)C(CC(C)C)NC(=O)C(Cc2ccccc2)NC(=O)C(CCCCNC(=O)CCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)NC1=O	QETZZWGVPBXJRF-POPRYTLTSA-N	.							
PDC_02136	FITC-WX(D)EAAYQK(D)FL peptide conjugate	21	46	"InChI=1S/C87H105N15O21S/c1-6-7-18-63(96-77(112)61(88)41-51-45-92-62-19-12-11-17-56(51)62)79(114)98-66(32-34-74(108)109)78(113)94-47(4)75(110)93-48(5)76(111)100-67(40-50-21-24-53(103)25-22-50)82(117)99-65(31-33-72(89)106)81(116)97-64(80(115)101-68(39-49-15-9-8-10-16-49)83(118)102-69(84(119)120)38-46(2)3)20-13-14-36-90-73(107)35-37-91-86(124)95-52-23-28-58-57(42-52)85(121)123-87(58)59-29-26-54(104)43-70(59)122-71-44-55(105)27-30-60(71)87/h8-12,15-17,19,21-30,42-48,61,63-69,92,103-105H,6-7,13-14,18,20,31-41,88H2,1-5H3,(H2,89,106)(H,90,107)(H,93,110)(H,94,113)(H,96,112)(H,97,116)(H,98,114)(H,99,117)(H,100,111)(H,101,115)(H,102,118)(H,108,109)(H,119,120)(H2,91,95,124)/t47-,48-,61-,63+,64+,65-,66-,67-,68-,69-/m0/s1"	[H]NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](CCCC)NC(=O)[C@@H](N)Cc1cn([H])c2ccccc12)C(=O)N[C@H](CCCCNC(=O)CCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)O	[H]NC(=O)CCC(NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(CCCC)NC(=O)C(N)Cc1cn([H])c2ccccc12)C(=O)NC(CCCCNC(=O)CCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)O	VKTZSPLCOVTIPY-GWBRYBBASA-N	.							
PDC_02137	FITC-WX(D)EAAYQKFL peptide conjugate	21	46	"InChI=1S/C87H105N15O21S/c1-6-7-18-63(96-77(112)61(88)41-51-45-92-62-19-12-11-17-56(51)62)79(114)98-66(32-34-74(108)109)78(113)94-47(4)75(110)93-48(5)76(111)100-67(40-50-21-24-53(103)25-22-50)82(117)99-65(31-33-72(89)106)81(116)97-64(80(115)101-68(39-49-15-9-8-10-16-49)83(118)102-69(84(119)120)38-46(2)3)20-13-14-36-90-73(107)35-37-91-86(124)95-52-23-28-58-57(42-52)85(121)123-87(58)59-29-26-54(104)43-70(59)122-71-44-55(105)27-30-60(71)87/h8-12,15-17,19,21-30,42-48,61,63-69,92,103-105H,6-7,13-14,18,20,31-41,88H2,1-5H3,(H2,89,106)(H,90,107)(H,93,110)(H,94,113)(H,96,112)(H,97,116)(H,98,114)(H,99,117)(H,100,111)(H,101,115)(H,102,118)(H,108,109)(H,119,120)(H2,91,95,124)/t47-,48-,61-,63+,64-,65-,66-,67-,68-,69-/m0/s1"	[H]NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](CCCC)NC(=O)[C@@H](N)Cc1cn([H])c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)CCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)O	[H]NC(=O)CCC(NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(CCCC)NC(=O)C(N)Cc1cn([H])c2ccccc12)C(=O)NC(CCCCNC(=O)CCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)O	VKTZSPLCOVTIPY-TVCJGMSQSA-N	.							
PDC_02138	FITC-WXEAAYQK(D)FL peptide conjugate	21	46	"InChI=1S/C87H105N15O21S/c1-6-7-18-63(96-77(112)61(88)41-51-45-92-62-19-12-11-17-56(51)62)79(114)98-66(32-34-74(108)109)78(113)94-47(4)75(110)93-48(5)76(111)100-67(40-50-21-24-53(103)25-22-50)82(117)99-65(31-33-72(89)106)81(116)97-64(80(115)101-68(39-49-15-9-8-10-16-49)83(118)102-69(84(119)120)38-46(2)3)20-13-14-36-90-73(107)35-37-91-86(124)95-52-23-28-58-57(42-52)85(121)123-87(58)59-29-26-54(104)43-70(59)122-71-44-55(105)27-30-60(71)87/h8-12,15-17,19,21-30,42-48,61,63-69,92,103-105H,6-7,13-14,18,20,31-41,88H2,1-5H3,(H2,89,106)(H,90,107)(H,93,110)(H,94,113)(H,96,112)(H,97,116)(H,98,114)(H,99,117)(H,100,111)(H,101,115)(H,102,118)(H,108,109)(H,119,120)(H2,91,95,124)/t47-,48-,61-,63-,64+,65-,66-,67-,68-,69-/m0/s1"	[H]NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCC)NC(=O)[C@@H](N)Cc1cn([H])c2ccccc12)C(=O)N[C@H](CCCCNC(=O)CCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)O	[H]NC(=O)CCC(NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(CCCC)NC(=O)C(N)Cc1cn([H])c2ccccc12)C(=O)NC(CCCCNC(=O)CCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)O	VKTZSPLCOVTIPY-GBKFPTFTSA-N	.							
PDC_02139	VivoTag-KK-11	39	72	"InChI=1S/C127H164N22O38S6/c1-12-13-29-90(116(160)140-93(45-51-108(154)155)115(159)137-73(6)112(156)136-74(7)113(157)142-94(63-76-34-39-80(150)40-35-76)119(163)141-92(44-50-105(128)151)118(162)138-91(31-22-54-133-125(129)130)117(161)143-95(62-75-26-16-14-17-27-75)120(164)145-97(124(168)169)61-71(2)3)139-121(165)96(64-79-70-135-89-30-20-19-28-83(79)89)144-122(166)100-32-23-56-149(100)123(167)111(72(4)5)146-107(153)52-55-131-106(152)33-18-15-21-53-132-114(158)78-36-43-88(134-69-78)77(37-48-103-126(8,9)109-86-65-81(190(176,177)178)67-101(192(182,183)184)84(86)41-46-98(109)147(103)57-24-59-188(170,171)172)38-49-104-127(10,11)110-87-66-82(191(179,180)181)68-102(193(185,186)187)85(87)42-47-99(110)148(104)58-25-60-189(173,174)175/h14,16-17,19-20,26-28,30,34-43,46-49,65-74,90-97,100,111,135H,12-13,15,18,21-25,29,31-33,44-45,50-64H2,1-11H3,(H27-,128,129,130,131,132,133,136,137,138,139,140,141,142,143,144,145,146,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165,166,168,169,170,171,172,173,174,175,176,177,178,179,180,181,182,183,184,185,186,187)/p-5/t73-,74-,90+,91+,92-,93-,94-,95-,96-,97-,100-,111-/m0/s1"	[H]NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](CCCC)NC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CCNC(=O)CCCCCNC(=O)c1ccc(C(=C\C=C2\N(CCCS(=O)(=O)[O-])c3ccc4c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc4c3C2(C)C)/C=C/C2=[N+](CCCS(=O)(=O)[O-])c3ccc4c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc4c3C2(C)C)nc1)C(C)C)C(=O)N[C@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)O	[H]NC(=O)CCC(NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(CCCC)NC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C1CCCN1C(=O)C(NC(=O)CCNC(=O)CCCCCNC(=O)c1ccc(C(C=CC2=[N+](CCCS(=O)(=O)[O-])c3ccc4c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc4c3C2(C)C)=CC=C2N(CCCS(=O)(=O)[O-])c3ccc4c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc4c3C2(C)C)nc1)C(C)C)C(=O)NC(CCCN=C(N)N[H])C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)O	JWNNHDCIDNHNQB-FFJSZUKRSA-I	.							
PDC_02140	FITC-KK-11	23	50	"InChI=1S/C97H121N19O23S/c1-8-9-20-67(108-90(132)73(45-56-49-103-66-21-14-13-19-61(56)66)113-91(133)75-23-16-41-116(75)92(134)81(51(4)5)115-79(121)38-40-102-96(140)106-57-26-31-63-62(46-57)94(137)139-97(63)64-32-29-59(118)47-76(64)138-77-48-60(119)30-33-65(77)97)85(127)109-70(35-37-80(122)123)84(126)105-52(6)82(124)104-53(7)83(125)111-71(44-55-24-27-58(117)28-25-55)88(130)110-69(34-36-78(98)120)87(129)107-68(22-15-39-101-95(99)100)86(128)112-72(43-54-17-11-10-12-18-54)89(131)114-74(93(135)136)42-50(2)3/h10-14,17-19,21,24-33,46-53,67-75,81,103,117-119H,8-9,15-16,20,22-23,34-45H2,1-7H3,(H2,98,120)(H,104,124)(H,105,126)(H,107,129)(H,108,132)(H,109,127)(H,110,130)(H,111,125)(H,112,128)(H,113,133)(H,114,131)(H,115,121)(H,122,123)(H,135,136)(H4,99,100,101)(H2,102,106,140)/t52-,53-,67+,68+,69-,70-,71-,72-,73-,74-,75-,81-/m0/s1"	[H]NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](CCCC)NC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(C)C)C(=O)N[C@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)O	[H]NC(=O)CCC(NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(CCCC)NC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C1CCCN1C(=O)C(NC(=O)CCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(C)C)C(=O)NC(CCCN=C(N)N[H])C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)O	MEMMEFBCALVQKQ-ZTMCZLSXSA-N	.							
PDC_02141	[D-Lys<sup>6</sup>]-GnRH gemcitabine conjugate	26	50	"InChI=1S/C78H107F2N21O22/c1-41(2)31-52(68(114)93-51(15-9-28-87-76(82)83)74(120)100-29-10-16-57(100)73(119)89-37-62(107)108)94-66(112)49(13-5-6-26-86-60(104)17-7-18-63(109)122-39-58-64(110)78(79,80)75(123-58)101-30-25-59(81)99-77(101)121)91-69(115)53(32-42-19-21-45(103)22-20-42)95-72(118)56(38-102)98-70(116)54(33-43-35-88-47-12-4-3-11-46(43)47)96-71(117)55(34-44-36-84-40-90-44)97-67(113)50(23-24-61(105)106)92-65(111)48-14-8-27-85-48/h3-4,11-12,19-22,25,30,35-36,40-41,48-58,64,75,85,88,102-103,110H,5-10,13-18,23-24,26-29,31-34,37-39H2,1-2H3,(H,84,90)(H,86,104)(H,89,119)(H,91,115)(H,92,111)(H,93,114)(H,94,112)(H,95,118)(H,96,117)(H,97,113)(H,98,116)(H,105,106)(H,107,108)(H2,81,99,121)(H4,82,83,87)/t48-,49-,50+,51+,52+,53+,54+,55+,56+,57+,58-,64-,75-/m1/s1"	[H]N/C(N)=N/CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCCNC(=O)CCCC(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O)NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](CO[H])NC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](Cc1cn([H])cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]1CCCN1[H])C(=O)N1CCC[C@H]1C(=O)NCC(=O)O	[H]NC(N)=NCCCC(NC(=O)C(CC(C)C)NC(=O)C(CCCCNC(=O)CCCC(=O)OCC1OC(n2ccc(N)nc2=O)C(F)(F)C1O)NC(=O)C(Cc1ccc(O[H])cc1)NC(=O)C(CO[H])NC(=O)C(Cc1cn([H])c2ccccc12)NC(=O)C(Cc1cn([H])cn1)NC(=O)C(CCC(=O)O)NC(=O)C1CCCN1[H])C(=O)N1CCCC1C(=O)NCC(=O)O	LWJQQFNCZBUYQE-YBYAQTTCSA-N	.							
PDC_02142	MAHNP-Dox conjugate	45	66	"InChI=1S/C131H168N22O46S3/c1-60(2)40-77(149-129(192)89-21-17-38-153(89)97(162)56-133-93(158)23-16-24-102(171)197-57-92(157)131(195)51-74-105(91(52-131)199-103-46-75(132)109(172)65(9)198-103)113(176)107-106(111(74)174)110(173)73-20-15-22-90(196-10)104(73)112(107)175)116(179)135-54-95(160)139-78(41-61(3)4)119(182)137-63(7)114(177)134-53-94(159)141-84(48-99(165)166)124(187)148-85(49-100(167)168)125(188)144-82(45-69-29-35-72(156)36-30-69)123(186)151-88-59-202-201-58-87(127(190)145-81(44-68-27-33-71(155)34-28-68)122(185)142-76(37-39-200-11)118(181)147-86(50-101(169)170)126(189)152-108(62(5)6)130(193)194)150-115(178)64(8)138-120(183)80(43-67-25-31-70(154)32-26-67)143-121(184)79(42-66-18-13-12-14-19-66)140-96(161)55-136-117(180)83(47-98(163)164)146-128(88)191/h12-15,18-20,22,25-36,60-65,75-89,91,103,108-109,154-156,172,174,176,195H,16-17,21,23-24,37-59,132H2,1-11H3,(H,133,158)(H,134,177)(H,135,179)(H,136,180)(H,137,182)(H,138,183)(H,139,160)(H,140,161)(H,141,159)(H,142,185)(H,143,184)(H,144,188)(H,145,190)(H,146,191)(H,147,181)(H,148,187)(H,149,192)(H,150,178)(H,151,186)(H,152,189)(H,163,164)(H,165,166)(H,167,168)(H,169,170)(H,193,194)/t63-,64-,65-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,91-,103-,108-,109-,131-/m0/s1"	[H]Oc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccccc3)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccc(O[H])cc3)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CCCN3C(=O)CNC(=O)CCCC(=O)OCC(=O)[C@]3(O)Cc4c(O)c5c(c(O)c4[C@@H](O[C@H]4C[C@H](N)[C@@H](O)[C@H](C)O4)C3)C(=O)c3c(OC)cccc3C5=O)CSSC[C@@H](C(=O)N[C@@H](Cc3ccc(O[H])cc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@H](C)NC2=O)cc1	[H]Oc1ccc(CC2NC(=O)C(Cc3ccccc3)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C(NC(=O)C(Cc3ccc(O[H])cc3)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C3CCCN3C(=O)CNC(=O)CCCC(=O)OCC(=O)C3(O)Cc4c(O)c5c(c(O)c4C(OC4CC(N)C(O)C(C)O4)C3)C(=O)c3c(OC)cccc3C5=O)CSSCC(C(=O)NC(Cc3ccc(O[H])cc3)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(C(=O)O)C(C)C)NC(=O)C(C)NC2=O)cc1	OULVZDIFTDRDDI-AFRHUUTLSA-N	.							
PDC_02143	JF-10-81	33	59	"InChI=1S/C108H140N24O24S2/c1-5-108(73-51-87-91-67(48-65-23-9-11-25-74(65)118-91)54-132(87)104(150)72(73)56-155-106(108)153)156-107(154)131(44-43-113-4)55-88(137)117-76(27-13-17-39-109)92(138)122-81(46-63-31-35-69(135)36-32-63)96(142)119-77(28-14-18-40-110)93(139)123-82(47-64-33-37-70(136)38-34-64)97(143)120-78(29-15-19-41-111)94(140)127-85-57-157-158-58-86(102(148)126-84(50-68-53-114-59-116-68)100(146)130-90(61(3)134)105(151)152)128-103(149)89(60(2)133)129-95(141)79(30-16-20-42-112)121-99(145)83(49-66-52-115-75-26-12-10-24-71(66)75)125-98(144)80(124-101(85)147)45-62-21-7-6-8-22-62/h6-12,21-26,31-38,48,51-53,59-61,76-86,89-90,113,115,133-136H,5,13-20,27-30,39-47,49-50,54-58,109-112H2,1-4H3,(H,114,116)(H,117,137)(H,119,142)(H,120,143)(H,121,145)(H,122,138)(H,123,139)(H,124,147)(H,125,144)(H,126,148)(H,127,140)(H,128,149)(H,129,141)(H,130,146)(H,151,152)/t60-,61-,76-,77+,78-,79+,80+,81-,82-,83-,84+,85+,86+,89+,90+,108+/m1/s1"	[H]NCCCC[C@@H]1NC(=O)[C@@H](Cc2cn([H])c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](CCCCN[H])NC(=O)[C@@H](Cc2ccc(O[H])cc2)NC(=O)[C@H](CCCCN[H])NC(=O)[C@@H](Cc2ccc(O[H])cc2)NC(=O)[C@@H](CCCCN[H])NC(=O)CN(CCNC)C(=O)O[C@]2(CC)C(=O)OCc3c2cc2n(c3=O)Cc3cc4ccccc4nc3-2)CSSC[C@@H](C(=O)N[C@@H](Cc2cn([H])cn2)C(=O)N[C@]([H])(C(=O)O)[C@@H](C)O[H])NC(=O)[C@]([H])([C@@H](C)O[H])NC1=O	[H]NCCCCC(NC(=O)CN(CCNC)C(=O)OC1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1)C(=O)NC(Cc1ccc(O[H])cc1)C(=O)NC(CCCCN[H])C(=O)NC(Cc1ccc(O[H])cc1)C(=O)NC(CCCCN[H])C(=O)NC1CSSCC(C(=O)NC(Cc2cn([H])cn2)C(=O)NC([H])(C(=O)O)C(C)O[H])NC(=O)C([H])(C(C)O[H])NC(=O)C(CCCCN[H])NC(=O)C(Cc2cn([H])c3ccccc23)NC(=O)C(Cc2ccccc2)NC1=O	CBOCRXNECRMLGC-QOISNSEUSA-N	.							
PDC_02144	JF-10-71	33	58	"InChI=1S/C107H138N24O24S2/c1-4-107(72-50-86-90-66(47-64-22-8-10-24-73(64)117-90)53-131(86)103(149)71(72)55-154-105(107)152)155-106(153)130(43-42-112)54-87(136)116-75(26-12-16-38-108)91(137)121-80(45-62-30-34-68(134)35-31-62)95(141)118-76(27-13-17-39-109)92(138)122-81(46-63-32-36-69(135)37-33-63)96(142)119-77(28-14-18-40-110)93(139)126-84-56-156-157-57-85(101(147)125-83(49-67-52-113-58-115-67)99(145)129-89(60(3)133)104(150)151)127-102(148)88(59(2)132)128-94(140)78(29-15-19-41-111)120-98(144)82(48-65-51-114-74-25-11-9-23-70(65)74)124-97(143)79(123-100(84)146)44-61-20-6-5-7-21-61/h5-11,20-25,30-37,47,50-52,58-60,75-85,88-89,114,132-135H,4,12-19,26-29,38-46,48-49,53-57,108-112H2,1-3H3,(H,113,115)(H,116,136)(H,118,141)(H,119,142)(H,120,144)(H,121,137)(H,122,138)(H,123,146)(H,124,143)(H,125,147)(H,126,139)(H,127,148)(H,128,140)(H,129,145)(H,150,151)/t59-,60-,75-,76+,77-,78+,79+,80-,81-,82-,83+,84+,85+,88+,89+,107+/m1/s1"	[H]NCCCC[C@@H]1NC(=O)[C@@H](Cc2cn([H])c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](CCCCN[H])NC(=O)[C@@H](Cc2ccc(O[H])cc2)NC(=O)[C@H](CCCCN[H])NC(=O)[C@@H](Cc2ccc(O[H])cc2)NC(=O)[C@@H](CCCCN[H])NC(=O)CN(CCN)C(=O)O[C@]2(CC)C(=O)OCc3c2cc2n(c3=O)Cc3cc4ccccc4nc3-2)CSSC[C@@H](C(=O)N[C@@H](Cc2cn([H])cn2)C(=O)N[C@]([H])(C(=O)O)[C@@H](C)O[H])NC(=O)[C@]([H])([C@@H](C)O[H])NC1=O	[H]NCCCCC(NC(=O)CN(CCN)C(=O)OC1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1)C(=O)NC(Cc1ccc(O[H])cc1)C(=O)NC(CCCCN[H])C(=O)NC(Cc1ccc(O[H])cc1)C(=O)NC(CCCCN[H])C(=O)NC1CSSCC(C(=O)NC(Cc2cn([H])cn2)C(=O)NC([H])(C(=O)O)C(C)O[H])NC(=O)C([H])(C(C)O[H])NC(=O)C(CCCCN[H])NC(=O)C(Cc2cn([H])c3ccccc23)NC(=O)C(Cc2ccccc2)NC1=O	SPGWCXIWFUTSFP-IARMXUOBSA-N	.