0 B9R0.2 C(CCCN)CCC(=O)O 011 [0,0,0,0,0,0|3,0,0]=3 1 B9R0.2 C(CCNCC(=O)O)CN NLY [0,0,0,0,0,0|4,0,0]=4 2 B9R0.2 CCCCCCCC(=O)O OCA [0,0,0,0,0,0|2,0,0]=2 3 B8R0.4 CCCCCCCC=O OYA [1,0,0,0,0,0|1,0,0]=2 4 B8R0.4 CCCCCCCCC DD9 [1,0,0,0,0,0|1,0,1]=3 5 B8R0.4 CCCCCCCCO OC9 [1,0,0,0,0,0|1,0,2]=4 6 B8R0.4 CCOCCOCCO AE3 [1,0,0,0,0,0|2,0,1]=4 7 B8R0.7 C(CCC(=O)O)CCN ACA [1,0,0,0,0,0|2,0,0]=3 8 B8R0.7 C(CCC(=O)O)CCN AHA [1,0,0,0,0,0|2,0,0]=3 9 B8R0.7 CC(C)CCCCCO MHN [1,0,0,0,0,0|2,0,1]=4 10 B8R0.7 CCCCCCC(=O)N HPN [1,0,0,0,0,0|1,0,0]=2 11 B8R0.7 CCCCCCC(=O)O SHV [1,0,0,0,0,0|1,0,0]=2 12 B8R0.7 CCCCCC[N+](=O)[O-] N6C [1,0,0,0,0,0|2,0,0]=3 13 B10R0.4 C(CCCC(=O)O)CCCN 8AC [0,1,0,0,0,0|2,0,0]=3 14 B10R0.4 C(CCCNC(=O)O)CCN CMY [0,1,0,0,0,0|2,0,0]=3 15 B10R0.4 C(COCCOCC(=O)O)O TEG [0,1,0,0,0,0|3,0,0]=4 16 B10R0.4 CCCCCCCCC(=O)O KNA [0,1,0,0,0,0|2,0,0]=3 17 B10R0.4 CCCCCCCC[N+](=O)[O-] N8C [0,1,0,0,0,0|3,0,0]=4 18 B10R0.6 C(CCN)C[C@@H](CC(=O)O)N B3K [0,1,0,0,0,0|3,0,0]=4 19 B10R0.6 CCCCCC(=O)CC(=O)O OOA [0,1,0,0,0,0|2,0,1]=4 20 B10R0.6 CCCCC[C@@H](CC(=O)O)O 3HO [0,1,0,0,0,0|2,0,0]=3 21 B10R0.55 CC[C@H](C)CCCCC(=O)O 6FH [0,1,0,0,0,0|2,0,0]=3 22 B10R0.74 C(CCCN)CCC(=O)NO 7XA [0,1,0,0,0,0|3,0,0]=4 23 B10R0.75 CCCCCC[C@@H](C(=O)O)O HOC [0,1,0,0,0,0|2,0,0]=3 24 B10R0.75 CCCCOC[C@@H](C(=O)O)N 73C [0,1,0,0,0,0|3,0,0]=4 25 B10R0.75 CNCCCC[C@@H](C(=O)O)N MLZ [0,1,0,0,0,0|3,0,0]=4 26 B10R1.16 CCCC[C@H]1CC[S@](=O)C1 SSB [0,0,0,1,0,0|2,0,0]=3 27 B10R1.18 C1CCC(CC1)NC(=O)O OHO [0,0,0,1,0,0|2,0,0]=3 28 B10R1.66 C1CCC(C1)CCC(=O)O 3PA [0,0,0,1,0,0|2,0,0]=3 29 B10R1.66 C1CCC(C1)NCC(=O)O 021 [0,0,0,1,0,0|3,0,0]=4 30 B10R1.66 C1CCC(C1)OCC(=O)O 01Y [0,0,0,1,0,0|3,0,0]=4 31 B7R0.1 C(CCC=O)CCN DNL [2,0,0,0,0,0|1,0,0]=3 32 B7R0.1 CCCCCCC#N CNX [2,0,0,0,0,0|1,0,1]=4 33 B7R0.1 CCCCCCCC OCT [2,0,0,0,0,0|0,0,1]=3 34 B7R0.1 CCCCCCCO HE4 [2,0,0,0,0,0|0,0,2]=4 35 B7R0.1 COCCOCCO PG0 [2,0,0,0,0,0|2,0,0]=4 36 B7R0.4 C(CCO)CC(=O)O SHO [2,0,0,0,0,0|2,0,0]=4 37 B7R0.4 C(CC[NH3+])CC(=O)O DAV [2,0,0,0,0,0|2,0,0]=4 38 B7R0.4 CCCCCC(=O)C HTX [2,0,0,0,0,0|0,0,0]=2 39 B7R0.4 CCCCCC(=O)O 6NA [2,0,0,0,0,0|1,0,0]=3 40 B7R0.4 CCCCOC(=O)C 8JZ [2,0,0,0,0,0|0,0,0]=2 41 B9R0.5 CCCCC[C@@H](C)NC=O NMH [1,1,0,0,0,0|1,0,0]=3 42 B9R0.45 CCCCCCCCCC D10 [1,1,0,0,0,0|1,0,1]=4 43 B9R0.45 CCCCCCCCCO F09 [1,1,0,0,0,0|1,0,1]=4 44 B9R0.45 CCCCCCCNC=O HPL [1,1,0,0,0,0|1,0,0]=3 45 B9R0.45 CCCCCONCC=O AOP [1,1,0,0,0,0|2,0,0]=4 46 B9R0.45 CCOCCOCCOC ME2 [1,1,0,0,0,0|1,0,1]=4 47 B9R0.4 C(C[C@@H](CC(=O)O)N)CN KBE [1,1,0,0,0,0|2,0,0]=4 48 B9R0.4 CCCCC(=O)CC(=O)O BKA [1,1,0,0,0,0|1,0,1]=4 49 B9R0.4 CSCC[C@@H](CC(=O)O)N B3M [1,1,0,0,0,0|2,0,0]=4 50 B9R0.47 C(CCN)C[C@@H](C(=O)O)N LYS_LFOH_DHZ3 [1,1,0,0,0,0|2,0,0]=4 51 B9R0.47 C(CCN)C[C@@H](C(=O)O)[NH-] LYS_LEO2H_DHZ3 [1,1,0,0,0,0|2,0,0]=4 52 B9R0.47 C(CCN)C[C@@H](C(=O)[O-])[NH-] LYS_LEO2_DHZ3 [1,1,0,0,0,0|2,0,0]=4 53 B9R0.47 C(CCN)C[C@@H](C(=O)[O-])[NH3+] LYS_LFZW_DHZ3 [1,1,0,0,0,0|2,0,0]=4 54 B9R0.47 C(CCN)C[C@H](C(=O)O)N DLY [1,1,0,0,0,0|2,0,0]=4 55 B9R0.47 C(CCO)C[C@@H](C(=O)O)N LDO [1,1,0,0,0,0|2,0,0]=4 56 B9R0.47 C(CCO)C[C@H](C(=O)O)N DDO [1,1,0,0,0,0|2,0,0]=4 57 B9R0.47 C(CC[NH3+])C[C@@H](C(=O)N)N LYN [1,1,0,0,0,0|2,0,0]=4 58 B9R0.47 C(CC[NH3+])C[C@@H](C(=O)O)N LYS [1,1,0,0,0,0|2,0,0]=4 59 B9R0.47 C(CC[NH3+])C[C@@H](C(=O)O)N LYS_LFOH [1,1,0,0,0,0|2,0,0]=4 60 B9R0.47 C(CC[NH3+])C[C@@H](C(=O)O)[NH-] LYS_LEO2H [1,1,0,0,0,0|2,0,0]=4 61 B9R0.47 C(CC[NH3+])C[C@@H](C(=O)[O-])[NH-] LYS_LEO2 [1,1,0,0,0,0|2,0,0]=4 62 B9R0.47 C(CC[NH3+])C[C@@H](C(=O)[O-])[NH3+] LYS_LFZW [1,1,0,0,0,0|2,0,0]=4 63 B9R0.47 CC(=O)[C@H](CCCCN)N CKC [1,1,0,0,0,0|1,0,0]=3 64 B9R0.47 CC(=O)[C@H](CCCCN)N LYM [1,1,0,0,0,0|1,0,0]=3 65 B9R0.47 CCCCC[C@@H](C(=O)O)N AHP [1,1,0,0,0,0|1,0,0]=3 66 B9R0.47 CCSCC[C@@H](C(=O)O)N ESC [1,1,0,0,0,0|2,0,0]=4 67 B9R0.55 CC(C)CCCCC(=O)O 6F5 [1,1,0,0,0,0|1,0,0]=3 68 B11R0.30 CC(C)CCCCCCC(=O)O T55 [0,2,0,0,0,0|2,0,0]=4 69 B11R0.40 CCCCCCCCC(=O)OC NON [0,2,0,0,0,0|1,0,0]=3 70 B11R0.42 C(CCCN)CC[C@@H](C(=O)O)N HHK [0,2,0,0,0,0|2,0,0]=4 71 B11R0.42 CCCCCCC[C@@H](C(=O)O)N AN8 [0,2,0,0,0,0|2,0,0]=4 72 B11R0.42 CCNCCCC[C@@H](C(=O)O)N LDH [0,2,0,0,0,0|2,0,0]=4 73 B11R0.111 C(CCNC(=O)O)C[C@@H](CO)N LCX [0,2,0,0,0,0|2,0,0]=4 74 B11R0.148 CCCCCCCCCC(=O)C UOC [0,2,0,0,0,0|1,0,0]=3 75 B11R0.148 CCCCCCCCCC(=O)O CRC [0,2,0,0,0,0|2,0,0]=4 76 B11R0.148 CCCCCCCCCC(=O)O DKA [0,2,0,0,0,0|2,0,0]=4 77 B11R0.159 C(CCCOP(=O)(O)O)CCN N68 [0,2,0,0,0,0|2,0,0]=4 78 B11R0.176 C(CCC(=O)N)C[C@H](CCS)S LPM [0,2,0,0,0,0|2,0,0]=4 79 B11R0.176 C(CCC(=O)O)C[C@H](CCS)S RED [0,2,0,0,0,0|2,0,0]=4 80 B11R0.125 CCCCCC[C@@](C)(C(=O)O)N MKD [0,2,0,0,0,0|2,0,0]=4 81 B9R1.8 C1CCC(CC1)NC=O CXF [1,0,0,1,0,0|1,0,0]=3 82 B9R1.6 C1CCC(CC1)C(=O)N WM2 [1,0,0,1,0,0|1,0,0]=3 83 B9R1.6 C1CCN[C@@H](C1)C(=O)O YCP [1,0,0,1,0,0|2,0,0]=4 84 B9R1.6 C1CCN[C@H](C1)C(=O)O CPI [1,0,0,1,0,0|2,0,0]=4 85 B9R1.6 C1CNCCC1C(=O)O MN1 [1,0,0,1,0,0|2,0,0]=4 86 B9R1.13 C1CCC(C1)CC(=O)O 0PA [1,0,0,1,0,0|1,0,0]=3 87 B9R1.13 C1CCC(C1)OC(=O)O 12W [1,0,0,1,0,0|1,0,0]=3 88 B9R1.41 C1C[C@@H]([C@H](C1)N)C(=O)O XCP [1,0,0,1,0,0|2,0,0]=4 89 B9R1.41 CN1CCC[C@H]1C(=O)O 3BY [1,0,0,1,0,0|2,0,0]=4 90 B9R1.41 C[N@@]1CCC[C@H]1C(=O)O PKR [1,0,0,1,0,0|2,0,0]=4 91 B9R1.85 C1CC1CNCC(=O)O NMC [1,0,0,1,0,0|2,0,0]=4 92 B11R1.27 CCCCC[C@@H]1CC[C@H](O1)O HNB [0,1,0,1,0,0|0,0,2]=4 93 B11R1.27 CCCCC[C@H]1CC[C@@H](O1)O 2LE [0,1,0,1,0,0|0,0,2]=4 94 B11R1.91 C1CCC(CC1)CCC(=O)O CXP [0,1,0,1,0,0|2,0,0]=4 95 B11R1.91 C1CCC(CC1)NCC(=O)O M30 [0,1,0,1,0,0|2,0,0]=4 96 B11R1.91 C1CCC(CC1)OCC(=O)O 01Z [0,1,0,1,0,0|1,0,0]=3 97 B11R1.91 C1CNCCC1CCC(=O)O BV7 [0,1,0,1,0,0|2,0,0]=4 98 B11R1.928 CC1(CCCCC1)NC(=O)O 12K [0,1,0,1,0,0|2,0,0]=4 99 B11R1.509 CP(=O)(O)OC1CCCCC1 QMP [0,1,0,1,0,0|1,0,0]=3 100 B11R1.509 C[P@](=O)(OC1CCCCC1)F WW2 [0,1,0,1,0,0|1,0,0]=3 101 B11R1.25 C1CCC(C1)CCC(=O)NO 3YP [0,1,0,1,0,0|2,0,0]=4 102 B11R1.40 CNC(=O)NC1CCCCC1 6NX [0,1,0,1,0,0|1,0,0]=3 103 B11R1.36 C1CCC(CC1)[C@@H](C(=O)O)N CHG [0,1,0,1,0,0|2,0,0]=4 104 B11R1.36 C1CCC(CC1)[C@@H](C(=O)O)N CUC [0,1,0,1,0,0|2,0,0]=4 105 B11R1.737 C1CCCC(CC1)(C(=O)O)N 03E [0,1,0,1,0,0|2,0,0]=4 106 B11R2.432 CN1[C@H]2CC[C@@H]1CC(=O)C2 TNE [0,0,0,2,0,0|2,0,0]=4