0 B8R0.6 C(CCN)CC(=O)NO 5XA [0,0,0,0,0,0|3,0,0]=3 1 B8R0.6 CCCCC[C@@H](C=C)O 3OM [0,0,0,0,0,0|1,0,3]=4 2 B8R0.6 CCCCC[C@H](C=C)O 3OL [0,0,0,0,0,0|1,0,3]=4 3 B8R0.6 CCCCNC(=N)NO BHH [0,0,0,0,0,0|4,0,0]=4 4 B7R0.1 CCCCCCC#N CNX [1,0,0,0,0,0|2,0,1]=4 5 B7R0.1 CCCCCCCC OCT [1,0,0,0,0,0|1,0,1]=3 6 B7R0.1 CCCCCCCO HE4 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.1 COCCOCCO PG0 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.3 COC(=O)CCCN GVE [1,0,0,0,0,0|1,0,0]=2 9 B7R0.4 C(CCO)CC(=O)O SHO [1,0,0,0,0,0|1,0,0]=2 10 B7R0.4 C(CC[NH3+])CC(=O)O DAV [1,0,0,0,0,0|1,0,0]=2 11 B7R0.4 C(COCC(=O)O)O VKC [1,0,0,0,0,0|2,0,0]=3 12 B7R0.4 C(CSCC(=O)O)N ESD [1,0,0,0,0,0|2,0,0]=3 13 B7R0.4 C(\C=C\CN)C(=O)O FBE [1,0,0,0,0,0|1,0,2]=4 14 B7R0.4 CCCCCC(=O)C HTX [1,0,0,0,0,0|0,0,0]=1 15 B7R0.4 CCCCCC(=O)O 6NA [1,0,0,0,0,0|0,0,0]=1 16 B7R0.4 CCCCOC(=O)C 8JZ [1,0,0,0,0,0|1,0,0]=2 17 B7R0.4 CCOCC[P@H](=O)[O-] BR5 [1,0,0,0,0,0|2,0,1]=4 18 B9R0.8 CCCC[C@@H](C(=O)OC)N NLO [0,1,0,0,0,0|0,0,0]=1 19 B9R0.46 C(CCC(=O)NO)CCN 6XA [0,1,0,0,0,0|2,0,0]=3 20 B9R0.47 CCCCNC(=O)[C@H](C)N UM2 [0,1,0,0,0,0|2,0,0]=3 21 B9R1.3 CC1C(=O)CCCC1=O 70V [0,0,0,1,0,0|2,0,1]=4 22 B9R1.11 CNC(=O)[C@@H]1CCCN1 9PR [0,0,0,1,0,0|2,0,0]=3 23 B9R1.11 COC(=O)[C@@H]1CCCN1 PLJ [0,0,0,1,0,0|1,0,0]=2 24 B9R1.11 COC(=O)[C@H]1CCCN1 PDW [0,0,0,1,0,0|1,0,0]=2 25 B6R0.6 C(CC=N)CC=O ARN [2,0,0,0,0,0|1,0,1]=4 26 B6R0.6 C(CC=O)CC=O PTD [2,0,0,0,0,0|1,0,1]=4 27 B6R0.6 C(CCO)CC=O GAQ [2,0,0,0,0,0|1,0,0]=3 28 B6R0.6 C(COCC=O)O 1KA [2,0,0,0,0,0|2,0,0]=4 29 B6R0.6 CCCCCCC HP6 [2,0,0,0,0,0|0,0,1]=3 30 B6R0.6 CCCCCCO HE2 [2,0,0,0,0,0|0,0,1]=3 31 B6R0.6 CCCCNC=O YIV [2,0,0,0,0,0|1,0,0]=3 32 B6R0.6 CCCSCCO 266 [2,0,0,0,0,0|1,0,1]=4 33 B6R0.1 CCC(=O)OCC CA1 [2,0,0,0,0,0|2,0,0]=4 34 B6R0.1 CCNC(=O)OC MEC [2,0,0,0,0,0|1,0,0]=3 35 B6R0.1 CCOC(=O)NC EMB [2,0,0,0,0,0|2,0,0]=4 36 B6R0.4 B(CCCC)(O)O BUB [2,0,0,0,0,0|1,0,1]=4 37 B6R0.4 C#CCCC(=O)O 54L [2,0,0,0,0,0|0,0,2]=4 38 B6R0.4 C(CC(=O)O)C=O SSN [2,0,0,0,0,0|1,0,1]=4 39 B6R0.4 C(CC(=O)O)CBr 0A5 [2,0,0,0,0,0|1,0,0]=3 40 B6R0.4 C(CC(=O)O)CN ABU [2,0,0,0,0,0|1,0,0]=3 41 B6R0.4 C(CSS)C(=O)O 3SS [2,0,0,0,0,0|2,0,0]=4 42 B6R0.4 CCCCC(=O)O LEA [2,0,0,0,0,0|0,0,0]=2 43 B6R0.4 CCCCC(=O)O PEI [2,0,0,0,0,0|0,0,0]=2 44 B6R0.4 CCCOC(=O)C 4PA [2,0,0,0,0,0|1,0,0]=3 45 B6R0.4 CCNCC(=O)O 2JC [2,0,0,0,0,0|1,0,0]=3 46 B8R0.4 CCCCCCCCC DD9 [1,1,0,0,0,0|1,0,1]=4 47 B8R0.4 CCCCCCCCO OC9 [1,1,0,0,0,0|1,0,1]=4 48 B8R0.4 COCCOCCOC M2M [1,1,0,0,0,0|1,0,1]=4 49 B8R0.9 COC(=O)CCC(=O)O MSU [1,1,0,0,0,0|1,0,1]=4 50 B8R0.5 C(CO)C(=O)CC(=O)O 98J [1,1,0,0,0,0|1,0,1]=4 51 B8R0.5 CCOC(=O)CC(=O)C EAC [1,1,0,0,0,0|1,0,1]=4 52 B8R0.21 CCCCO[P@@](=O)(C)O CVX [1,1,0,0,0,0|2,0,0]=4 53 B8R0.28 C(CC(=O)O)CC(=O)O GUA [1,1,0,0,0,0|1,0,1]=4 54 B8R0.28 C(CC(=O)O)C[N+](=O)[O-] 4NI [1,1,0,0,0,0|2,0,0]=4 55 B8R0.28 CC(=CCCC(=O)C)C 0VT [1,1,0,0,0,0|0,0,2]=4 56 B8R0.28 CC(=O)CCCC(=O)O 4AT [1,1,0,0,0,0|0,0,1]=3 57 B8R0.28 CC(C)CNCC(=O)O I4G [1,1,0,0,0,0|1,0,0]=3 58 B10R0.3 COCC(=O)CCCC(O)O M1T [0,2,0,0,0,0|1,0,0]=3 59 B10R0.82 CN(C)C(=O)CC[C@@H](CO)N 1HB [0,2,0,0,0,0|2,0,0]=4 60 B10R0.82 COC(=O)CC[C@@H](C(=O)O)N GME [0,2,0,0,0,0|1,0,1]=4 61 B10R0.2 CCOC(=O)C[C@@H](CC#N)O 1H1 [0,2,0,0,0,0|1,0,1]=4 62 B10R0.6 CCCCCC(=O)CC(=O)O OOA [0,2,0,0,0,0|1,0,1]=4 63 B10R0.83 B([C@H](CCCC[NH3+])N)(O)OC MJS [0,2,0,0,0,0|1,0,1]=4 64 B10R0.62 CCCCCC[P@@](=O)(O)OC MHH [0,2,0,0,0,0|1,0,0]=3 65 B10R0.74 C(CCCN)CCC(=O)NO 7XA [0,2,0,0,0,0|2,0,0]=4 66 B10R0.75 CCCCCNC(=O)[C@H](C)N 5FQ [0,2,0,0,0,0|1,0,0]=3 67 B8R1.2 CCC1CCNCC1 EPI [1,0,0,1,0,0|2,0,0]=4 68 B8R1.7 C1CCC(C1)C(=O)O IQ0 [1,0,0,1,0,0|0,0,0]=2 69 B8R1.7 C1C[C@@H](NC1)C(=O)N PR9 [1,0,0,1,0,0|2,0,0]=4 70 B8R1.7 C1C[C@@H](NC1)C(=O)O DPR [1,0,0,1,0,0|1,0,0]=3 71 B8R1.7 C1C[C@H](C=C1)C(=O)O C54 [1,0,0,1,0,0|0,0,2]=4 72 B8R1.7 C1C[C@H](NC1)C(=O)N LPD [1,0,0,1,0,0|2,0,0]=4 73 B8R1.7 C1C[C@H](NC1)C(=O)O PRO [1,0,0,1,0,0|1,0,0]=3 74 B8R1.7 C1C[C@H](NC1)C(=O)O PRO_LFOH [1,0,0,1,0,0|1,0,0]=3 75 B8R1.7 C1C[C@H](OC1)C(=O)O TFB [1,0,0,1,0,0|1,0,0]=3 76 B8R1.7 C1C[C@H]([N-]C1)C(=O)O PRO_LEO2H [1,0,0,1,0,0|1,0,0]=3 77 B8R1.7 C1C[C@H]([N-]C1)C(=O)[O-] PRO_LEO2 [1,0,0,1,0,0|1,0,1]=4 78 B8R1.7 C1C[C@H]([NH2+]C1)C(=O)[O-] PRO_LFZW [1,0,0,1,0,0|1,0,1]=4 79 B8R1.7 C1[C@H](NCS1)C(=O)O PRS [1,0,0,1,0,0|2,0,0]=4 80 B8R1.7 N=C(/C1CCCC1)\N 273 [1,0,0,1,0,0|2,0,0]=4 81 B8R1.7 N=C(\[C@@H]1CCCN1)/O 04V [1,0,0,1,0,0|2,0,0]=4 82 B10R1.16 CCCC[C@H]1CC[S@](=O)C1 SSB [0,1,0,1,0,0|2,0,0]=4