0 B11R0.148 CCCCCCCCCC(=O)N WXVL_AK0084SB0447 [0,0,0,0,0,0|1,0,2]=3 1 B11R0.148 CCCCCCCCCC(=O)N WXVL_AK0084SB0447 [0,0,0,0,0,0|1,0,2]=3 2 B11R0.148 CCCCCCCCNC(=O)C WXVL_AK1818SB0150 [0,0,0,0,0,0|2,0,1]=3 3 B11R0.148 CCCCCCCCNC(=O)C WXVL_AK1818SB0150 [0,0,0,0,0,0|2,0,1]=3 4 B11R0.148 CCCCOCCCNC(=O)C WXVL_AK2310SB0150 [0,0,0,0,0,0|3,0,1]=4 5 B11R0.148 CCCCOCCCNC(=O)C WXVL_AK2310SB0150 [0,0,0,0,0,0|3,0,1]=4 6 B10R0.4 CC(=O)NCCCCCCO WXVL_AK0751SB0150 [1,0,0,0,0,0|3,0,0]=4 7 B10R0.4 CC(=O)NCCCCCCO WXVL_AK0751SB0150 [1,0,0,0,0,0|3,0,0]=4 8 B10R0.4 CCCCCCCCC(=O)N WXVL_AK0084SB0409 [1,0,0,0,0,0|1,0,1]=3 9 B10R0.4 CCCCCCCCC(=O)N WXVL_AK0084SB0409 [1,0,0,0,0,0|1,0,1]=3 10 B10R0.4 CCCCOCCNC(=O)C WXVL_AK9674SB0150 [1,0,0,0,0,0|3,0,0]=4 11 B10R0.4 CCCCOCCNC(=O)C WXVL_AK9674SB0150 [1,0,0,0,0,0|3,0,0]=4 12 B10R0.4 NC(=O)CCCCCCCBr WXVL_AK0084SB0559 [1,0,0,0,0,0|2,0,1]=4 13 B10R0.4 NC(=O)CCCCCCCBr WXVL_AK0084SB0559 [1,0,0,0,0,0|2,0,1]=4 14 B10R0.4 NC(=O)CCCCCCCO WXVL_AK0084SB1306 [1,0,0,0,0,0|2,0,1]=4 15 B10R0.4 NC(=O)CCCCCCCO WXVL_AK0084SB1306 [1,0,0,0,0,0|2,0,1]=4 16 B12R0.4 CCCCCCCC(O)CC(=O)N WXVL_AK0084SB4065 [0,1,0,0,0,0|1,0,2]=4 17 B12R0.4 CCCCCCCC(O)CC(=O)N WXVL_AK0084SB4065 [0,1,0,0,0,0|1,0,2]=4 18 B12R0.4 CCCCCCNC(=O)C=C(C)C WXVL_AK0286SB0342 [0,1,0,0,0,0|3,0,0]=4 19 B12R0.4 CCCCCCNC(=O)C=C(C)C WXVL_AK0286SB0342 [0,1,0,0,0,0|3,0,0]=4 20 B12R0.234 CC(=O)NCCCCCCCCO WXVL_AK4142SB0150 [0,1,0,0,0,0|2,0,1]=4 21 B12R0.234 CC(=O)NCCCCCCCCO WXVL_AK4142SB0150 [0,1,0,0,0,0|2,0,1]=4 22 B12R0.234 CCCCCCCCCCC(=O)N WXVL_AK0084SB0490 [0,1,0,0,0,0|1,0,2]=4 23 B12R0.234 CCCCCCCCCCC(=O)N WXVL_AK0084SB0490 [0,1,0,0,0,0|1,0,2]=4 24 B12R0.234 CCCCCCCCCNC(=O)C WXVL_AK1826SB0150 [0,1,0,0,0,0|1,0,2]=4 25 B12R0.234 CCCCCCCCCNC(=O)C WXVL_AK1826SB0150 [0,1,0,0,0,0|1,0,2]=4 26 B12R0.248 C#CC(=O)NCCCCCCCC WXVL_AK1818SB0338 [0,1,0,0,0,0|2,0,1]=4 27 B12R0.248 C#CC(=O)NCCCCCCCC WXVL_AK1818SB0338 [0,1,0,0,0,0|2,0,1]=4 28 B12R0.248 CCCCCCCCCC(=O)NC WXVL_AK00442SB0447 [0,1,0,0,0,0|1,0,2]=4 29 B12R0.248 CCCCCCCCCC(=O)NC WXVL_AK00442SB0447 [0,1,0,0,0,0|1,0,2]=4 30 B12R0.248 CCCCCCCCNC(=O)CC WXVL_AK1818SB0064 [0,1,0,0,0,0|2,0,1]=4 31 B12R0.248 CCCCCCCCNC(=O)CC WXVL_AK1818SB0064 [0,1,0,0,0,0|2,0,1]=4 32 B12R0.248 CCCCCCCCNC(=O)CO WXVL_AK1818SB2706 [0,1,0,0,0,0|1,0,1]=3 33 B12R0.248 CCCCCCCCNC(=O)CO WXVL_AK1818SB2706 [0,1,0,0,0,0|1,0,1]=3 34 B12R0.248 CCCCCCCCNC(=O)NC WXVL_AK00442YV0182 [0,1,0,0,0,0|2,0,1]=4 35 B12R0.248 CCCCCCCCNC(=O)NC WXVL_AK00442YV0182 [0,1,0,0,0,0|2,0,1]=4 36 B12R0.248 CCCCOCCCNC(=O)CO WXVL_AK2310SB2706 [0,1,0,0,0,0|2,0,1]=4 37 B12R0.248 CCCCOCCCNC(=O)CO WXVL_AK2310SB2706 [0,1,0,0,0,0|2,0,1]=4 38 B12R0.251 CC(=O)C(=O)NCCCCCCO WXVL_AK0751SB0051 [0,1,0,0,0,0|3,0,0]=4 39 B12R0.251 CC(=O)C(=O)NCCCCCCO WXVL_AK0751SB0051 [0,1,0,0,0,0|3,0,0]=4 40 B12R0.251 CCCCOCCNC(=O)C(=O)C WXVL_AK9674SB0051 [0,1,0,0,0,0|3,0,0]=4 41 B12R0.251 CCCCOCCNC(=O)C(=O)C WXVL_AK9674SB0051 [0,1,0,0,0,0|3,0,0]=4 42 B12R0.251 CCCCOCCNC(=O)C(=O)N WXVL_AK9674SB0128 [0,1,0,0,0,0|3,0,0]=4 43 B12R0.251 CCCCOCCNC(=O)C(=O)N WXVL_AK9674SB0128 [0,1,0,0,0,0|3,0,0]=4 44 B12R0.251 NC(=O)C(=O)NCCCCCCO WXVL_AK0751SB0128 [0,1,0,0,0,0|3,0,0]=4 45 B12R0.251 NC(=O)C(=O)NCCCCCCO WXVL_AK0751SB0128 [0,1,0,0,0,0|3,0,0]=4 46 B12R1.252 CC(=O)NCCC1CCCCC1 WXVL_AK1287SB0150 [0,0,0,1,0,0|2,0,1]=4 47 B12R1.252 CC(=O)NCCC1CCCCC1 WXVL_AK1287SB0150 [0,0,0,1,0,0|2,0,1]=4 48 B12R1.386 CCCCC1CCCN1C(=O)C WXVL_AN00739SB0150 [0,0,0,1,0,0|2,0,1]=4 49 B9R0.2 CCCCC/C=C/C(=O)N WXVL_AK0084SB3331 [2,0,0,0,0,0|1,0,0]=3 50 B9R0.2 CCCCC/C=C/C(=O)N WXVL_AK0084SB3331 [2,0,0,0,0,0|1,0,0]=3 51 B9R0.2 CCCCCCCC(=O)N WXVL_AK0084SB0393 [2,0,0,0,0,0|1,0,0]=3 52 B9R0.2 CCCCCCCC(=O)N WXVL_AK0084SB0393 [2,0,0,0,0,0|1,0,0]=3 53 B9R0.2 CCCCCCNC(=O)C WXVL_AK0286SB0150 [2,0,0,0,0,0|2,0,0]=4 54 B9R0.2 CCCCCCNC(=O)C WXVL_AK0286SB0150 [2,0,0,0,0,0|2,0,0]=4 55 B9R0.2 NC(=O)CCCCCCBr WXVL_AK0084SB1386 [2,0,0,0,0,0|2,0,0]=4 56 B9R0.2 NC(=O)CCCCCCBr WXVL_AK0084SB1386 [2,0,0,0,0,0|2,0,0]=4 57 B11R0.40 CCCCCCCCC(=O)NC WXVL_AK00442SB0409 [1,1,0,0,0,0|1,0,1]=4 58 B11R0.40 CCCCCCCCC(=O)NC WXVL_AK00442SB0409 [1,1,0,0,0,0|1,0,1]=4 59 B11R0.40 CCCCOCCNC(=O)CO WXVL_AK9674SB2706 [1,1,0,0,0,0|2,0,0]=4 60 B11R0.40 CCCCOCCNC(=O)CO WXVL_AK9674SB2706 [1,1,0,0,0,0|2,0,0]=4 61 B11R0.40 O=C(CO)NCCCCCCO WXVL_AK0751SB2706 [1,1,0,0,0,0|2,0,0]=4 62 B11R0.40 O=C(CO)NCCCCCCO WXVL_AK0751SB2706 [1,1,0,0,0,0|2,0,0]=4 63 B11R0.42 CCCCCCNC(=O)C(=O)C WXVL_AK0286SB0051 [1,1,0,0,0,0|2,0,0]=4 64 B11R0.42 CCCCCCNC(=O)C(=O)C WXVL_AK0286SB0051 [1,1,0,0,0,0|2,0,0]=4 65 B11R0.42 CCCCCCNC(=O)C(=O)N WXVL_AK0286SB0128 [1,1,0,0,0,0|2,0,0]=4 66 B11R0.42 CCCCCCNC(=O)C(=O)N WXVL_AK0286SB0128 [1,1,0,0,0,0|2,0,0]=4 67 B11R0.4 C/C=C/C(=O)NCCCCCC WXVL_AK0286SB0340 [1,1,0,0,0,0|2,0,0]=4 68 B11R0.4 C/C=C/C(=O)NCCCCCC WXVL_AK0286SB0340 [1,1,0,0,0,0|2,0,0]=4 69 B13R0.274 CCCCCCNC(=O)CC(=O)OC WXVL_AK0286SB2790 [0,2,0,0,0,0|1,0,1]=4 70 B13R0.274 CCCCCCNC(=O)CC(=O)OC WXVL_AK0286SB2790 [0,2,0,0,0,0|1,0,1]=4 71 B13R0.147 CCCCCCCCCNC(=O)CO WXVL_AK1826SB2706 [0,2,0,0,0,0|0,0,2]=4 72 B13R0.147 CCCCCCCCCNC(=O)CO WXVL_AK1826SB2706 [0,2,0,0,0,0|0,0,2]=4 73 B13R0.147 O=C(CO)NCCCCCCCCO WXVL_AK4142SB2706 [0,2,0,0,0,0|1,0,1]=4 74 B13R0.147 O=C(CO)NCCCCCCCCO WXVL_AK4142SB2706 [0,2,0,0,0,0|1,0,1]=4 75 B13R0.150 CCCCCCCCNC(=O)C(=O)C WXVL_AK1818SB0051 [0,2,0,0,0,0|1,0,1]=4 76 B13R0.150 CCCCCCCCNC(=O)C(=O)C WXVL_AK1818SB0051 [0,2,0,0,0,0|1,0,1]=4 77 B13R0.150 CCCCCCCCNC(=O)C(=O)N WXVL_AK1818SB0128 [0,2,0,0,0,0|1,0,1]=4 78 B13R0.150 CCCCCCCCNC(=O)C(=O)N WXVL_AK1818SB0128 [0,2,0,0,0,0|1,0,1]=4 79 B13R0.150 CCCCCCCCNC(=O)[C@@H](C)O WXVL_AK1818SB1085 [0,2,0,0,0,0|1,0,1]=4 80 B13R0.150 CCCCCCCCNC(=O)[C@@H](C)O WXVL_AK1818SB1085 [0,2,0,0,0,0|1,0,1]=4 81 B13R0.150 CCCCOCCCNC(=O)C(=O)C WXVL_AK2310SB0051 [0,2,0,0,0,0|2,0,0]=4 82 B13R0.150 CCCCOCCCNC(=O)C(=O)C WXVL_AK2310SB0051 [0,2,0,0,0,0|2,0,0]=4 83 B13R0.150 CCCCOCCCNC(=O)C(=O)N WXVL_AK2310SB0128 [0,2,0,0,0,0|2,0,0]=4 84 B13R0.150 CCCCOCCCNC(=O)C(=O)N WXVL_AK2310SB0128 [0,2,0,0,0,0|2,0,0]=4 85 B13R0.154 CCCCCCCC(=O)NCC(=O)N WXVL_AK0147SB0393 [0,2,0,0,0,0|1,0,1]=4 86 B13R0.154 CCCCCCCC(=O)NCC(=O)N WXVL_AK0147SB0393 [0,2,0,0,0,0|1,0,1]=4 87 B13R0.154 CCCCCCNC(=O)C#CC(=O)O WXVL_AK0286SB1110 [0,2,0,0,0,0|1,0,1]=4 88 B13R0.154 CCCCCCNC(=O)C#CC(=O)O WXVL_AK0286SB1110 [0,2,0,0,0,0|1,0,1]=4 89 B13R0.2 CCCCCCCCNC(=O)COC WXVL_AK1818SB0090 [0,2,0,0,0,0|1,0,1]=4 90 B13R0.2 CCCCCCCCNC(=O)COC WXVL_AK1818SB0090 [0,2,0,0,0,0|1,0,1]=4 91 B13R0.284 CCCCCNC(=O)/C=C(/C)\C(=O)O WXVL_AK0076SB2187 [0,2,0,0,0,0|1,0,1]=4 92 B13R0.284 CCCCCNC(=O)/C=C(/C)\C(=O)O WXVL_AK0076SB2187 [0,2,0,0,0,0|1,0,1]=4 93 B11R1.91 NC(=O)/C=C/C1CCCCC1 WXVL_AK0084SB5384 [1,0,0,1,0,0|1,0,0]=3 94 B11R1.91 NC(=O)/C=C/C1CCCCC1 WXVL_AK0084SB5384 [1,0,0,1,0,0|1,0,0]=3 95 B11R1.91 NC(=O)CCC1CCCCC1 WXVL_AK0084SB0049 [1,0,0,1,0,0|1,0,1]=4 96 B11R1.91 NC(=O)CCC1CCCCC1 WXVL_AK0084SB0049 [1,0,0,1,0,0|1,0,1]=4 97 B11R1.172 CC(=O)NCCC1CCCC1 WXVL_AK00531SB0150 [1,0,0,1,0,0|2,0,0]=4 98 B11R1.172 CC(=O)NCCC1CCCC1 WXVL_AK00531SB0150 [1,0,0,1,0,0|2,0,0]=4 99 B13R1.581 CCCCC1CCCN1C(=O)CO WXVL_AN00739SB2706 [0,1,0,1,0,0|1,0,1]=4 100 B13R1.718 O=C(CO)NCCC1CCCCC1 WXVL_AK1287SB2706 [0,1,0,1,0,0|1,0,1]=4 101 B13R1.718 O=C(CO)NCCC1CCCCC1 WXVL_AK1287SB2706 [0,1,0,1,0,0|1,0,1]=4 102 B13R1.1110 CC(=O)C(=O)NCCC1CCCC1 WXVL_AK00531SB0051 [0,1,0,1,0,0|2,0,0]=4 103 B13R1.1110 CC(=O)C(=O)NCCC1CCCC1 WXVL_AK00531SB0051 [0,1,0,1,0,0|2,0,0]=4 104 B13R1.1110 NC(=O)C(=O)NCCC1CCCC1 WXVL_AK00531SB0128 [0,1,0,1,0,0|2,0,0]=4 105 B13R1.1110 NC(=O)C(=O)NCCC1CCCC1 WXVL_AK00531SB0128 [0,1,0,1,0,0|2,0,0]=4