0 B10R0.4 CC(=O)NCCCCCCO WXVL_AK0751SB0150 [0,0,0,0,0,0|2,0,1]=3 1 B10R0.4 CC(=O)NCCCCCCO WXVL_AK0751SB0150 [0,0,0,0,0,0|2,0,1]=3 2 B10R0.4 CCCCCCCCC(=O)N WXVL_AK0084SB0409 [0,0,0,0,0,0|1,0,2]=3 3 B10R0.4 CCCCCCCCC(=O)N WXVL_AK0084SB0409 [0,0,0,0,0,0|1,0,2]=3 4 B10R0.4 CCCCOCCNC(=O)C WXVL_AK9674SB0150 [0,0,0,0,0,0|2,0,1]=3 5 B10R0.4 CCCCOCCNC(=O)C WXVL_AK9674SB0150 [0,0,0,0,0,0|2,0,1]=3 6 B10R0.4 COCCOCCNC(=O)C WXVL_AK2206SB0150 [0,0,0,0,0,0|3,0,1]=4 7 B10R0.4 COCCOCCNC(=O)C WXVL_AK2206SB0150 [0,0,0,0,0,0|3,0,1]=4 8 B10R0.4 NC(=O)CCCCCCCBr WXVL_AK0084SB0559 [0,0,0,0,0,0|2,0,2]=4 9 B10R0.4 NC(=O)CCCCCCCBr WXVL_AK0084SB0559 [0,0,0,0,0,0|2,0,2]=4 10 B10R0.4 NC(=O)CCCCCCCO WXVL_AK0084SB1306 [0,0,0,0,0,0|2,0,2]=4 11 B10R0.4 NC(=O)CCCCCCCO WXVL_AK0084SB1306 [0,0,0,0,0,0|2,0,2]=4 12 B9R0.2 C#CCCCCNC(=O)C WXVL_AK00614SB0150 [1,0,0,0,0,0|1,0,2]=4 13 B9R0.2 C#CCCCCNC(=O)C WXVL_AK00614SB0150 [1,0,0,0,0,0|1,0,2]=4 14 B9R0.2 CC(=O)NCCCCCO WXVL_AK0077SB0150 [1,0,0,0,0,0|2,0,0]=3 15 B9R0.2 CC(=O)NCCCCCO WXVL_AK0077SB0150 [1,0,0,0,0,0|2,0,0]=3 16 B9R0.2 CC(=O)NCCNCCO WXVL_AK0954SB0150 [1,0,0,0,0,0|3,0,0]=4 17 B9R0.2 CC(=O)NCCNCCO WXVL_AK0954SB0150 [1,0,0,0,0,0|3,0,0]=4 18 B9R0.2 CCCCC/C=C/C(=O)N WXVL_AK0084SB3331 [1,0,0,0,0,0|1,0,0]=2 19 B9R0.2 CCCCC/C=C/C(=O)N WXVL_AK0084SB3331 [1,0,0,0,0,0|1,0,0]=2 20 B9R0.2 CCCCCCCC(=O)N WXVL_AK0084SB0393 [1,0,0,0,0,0|1,0,1]=3 21 B9R0.2 CCCCCCCC(=O)N WXVL_AK0084SB0393 [1,0,0,0,0,0|1,0,1]=3 22 B9R0.2 CCCCCCNC(=O)C WXVL_AK0286SB0150 [1,0,0,0,0,0|1,0,0]=2 23 B9R0.2 CCCCCCNC(=O)C WXVL_AK0286SB0150 [1,0,0,0,0,0|1,0,0]=2 24 B9R0.2 CCOCCCNC(=O)C WXVL_AK0072SB0150 [1,0,0,0,0,0|2,0,0]=3 25 B9R0.2 CCOCCCNC(=O)C WXVL_AK0072SB0150 [1,0,0,0,0,0|2,0,0]=3 26 B9R0.2 NC(=O)CCCCCCBr WXVL_AK0084SB1386 [1,0,0,0,0,0|2,0,1]=4 27 B9R0.2 NC(=O)CCCCCCBr WXVL_AK0084SB1386 [1,0,0,0,0,0|2,0,1]=4 28 B11R0.2 CC(=CC(=O)NCCCCO)C WXVL_AK0075SB0342 [0,1,0,0,0,0|3,0,0]=4 29 B11R0.2 CC(=CC(=O)NCCCCO)C WXVL_AK0075SB0342 [0,1,0,0,0,0|3,0,0]=4 30 B11R0.2 CCCCCNC(=O)C=C(C)C WXVL_AK0076SB0342 [0,1,0,0,0,0|2,0,0]=3 31 B11R0.2 CCCCCNC(=O)C=C(C)C WXVL_AK0076SB0342 [0,1,0,0,0,0|2,0,0]=3 32 B11R0.2 CCSCCNC(=O)C=C(C)C WXVL_AK00494SB0342 [0,1,0,0,0,0|3,0,0]=4 33 B11R0.2 CCSCCNC(=O)C=C(C)C WXVL_AK00494SB0342 [0,1,0,0,0,0|3,0,0]=4 34 B11R0.2 COCCCNC(=O)C=C(C)C WXVL_AK00637SB0342 [0,1,0,0,0,0|3,0,0]=4 35 B11R0.2 COCCCNC(=O)C=C(C)C WXVL_AK00637SB0342 [0,1,0,0,0,0|3,0,0]=4 36 B11R0.2 CSCCCNC(=O)C=C(C)C WXVL_AK0965SB0342 [0,1,0,0,0,0|3,0,0]=4 37 B11R0.2 CSCCCNC(=O)C=C(C)C WXVL_AK0965SB0342 [0,1,0,0,0,0|3,0,0]=4 38 B11R0.30 CC(=O)NCCCCCN(C)C WXVL_AK0956SB0150 [0,1,0,0,0,0|2,0,1]=4 39 B11R0.30 CC(=O)NCCCCCN(C)C WXVL_AK0956SB0150 [0,1,0,0,0,0|2,0,1]=4 40 B11R0.40 CCC(=O)NCCCCCCO WXVL_AK0751SB0064 [0,1,0,0,0,0|2,0,1]=4 41 B11R0.40 CCC(=O)NCCCCCCO WXVL_AK0751SB0064 [0,1,0,0,0,0|2,0,1]=4 42 B11R0.40 CCCCCCCCC(=O)NC WXVL_AK00442SB0409 [0,1,0,0,0,0|0,0,2]=3 43 B11R0.40 CCCCCCCCC(=O)NC WXVL_AK00442SB0409 [0,1,0,0,0,0|0,0,2]=3 44 B11R0.40 CCCCOCCNC(=O)CC WXVL_AK9674SB0064 [0,1,0,0,0,0|2,0,1]=4 45 B11R0.40 CCCCOCCNC(=O)CC WXVL_AK9674SB0064 [0,1,0,0,0,0|2,0,1]=4 46 B11R0.40 CCCCOCCNC(=O)CO WXVL_AK9674SB2706 [0,1,0,0,0,0|2,0,1]=4 47 B11R0.40 CCCCOCCNC(=O)CO WXVL_AK9674SB2706 [0,1,0,0,0,0|2,0,1]=4 48 B11R0.40 CNC(=O)CCCCCCCBr WXVL_AK00442SB0559 [0,1,0,0,0,0|1,0,2]=4 49 B11R0.40 CNC(=O)CCCCCCCBr WXVL_AK00442SB0559 [0,1,0,0,0,0|1,0,2]=4 50 B11R0.40 CNC(=O)CCCCCCCO WXVL_AK00442SB1306 [0,1,0,0,0,0|1,0,2]=4 51 B11R0.40 CNC(=O)CCCCCCCO WXVL_AK00442SB1306 [0,1,0,0,0,0|1,0,2]=4 52 B11R0.40 O=C(CO)NCCCCCCO WXVL_AK0751SB2706 [0,1,0,0,0,0|2,0,1]=4 53 B11R0.40 O=C(CO)NCCCCCCO WXVL_AK0751SB2706 [0,1,0,0,0,0|2,0,1]=4 54 B11R0.42 C#CCCCCNC(=O)C(=O)C WXVL_AK00614SB0051 [0,1,0,0,0,0|1,0,2]=4 55 B11R0.42 C#CCCCCNC(=O)C(=O)C WXVL_AK00614SB0051 [0,1,0,0,0,0|1,0,2]=4 56 B11R0.42 C=C(F)C(=O)NCCCCCC WXVL_AK0286SB1376 [0,1,0,0,0,0|2,0,1]=4 57 B11R0.42 C=C(F)C(=O)NCCCCCC WXVL_AK0286SB1376 [0,1,0,0,0,0|2,0,1]=4 58 B11R0.42 CC(=O)C(=O)NCCCCCO WXVL_AK0077SB0051 [0,1,0,0,0,0|2,0,0]=3 59 B11R0.42 CC(=O)C(=O)NCCCCCO WXVL_AK0077SB0051 [0,1,0,0,0,0|2,0,0]=3 60 B11R0.42 CC(=O)C(=O)NCCNCCO WXVL_AK0954SB0051 [0,1,0,0,0,0|3,0,0]=4 61 B11R0.42 CC(=O)C(=O)NCCNCCO WXVL_AK0954SB0051 [0,1,0,0,0,0|3,0,0]=4 62 B11R0.42 CCCCC/C=C/C(=O)N(C)C WXVL_AN0032SB3331 [0,1,0,0,0,0|2,0,1]=4 63 B11R0.42 CCCCC/C=C/C(=O)N(C)C WXVL_AN0032SB3331 [0,1,0,0,0,0|2,0,1]=4 64 B11R0.42 CCCCCCCC(=O)N(C)C WXVL_AN0032SB0393 [0,1,0,0,0,0|2,0,1]=4 65 B11R0.42 CCCCCCCC(=O)N(C)C WXVL_AN0032SB0393 [0,1,0,0,0,0|2,0,1]=4 66 B11R0.42 CCCCCCNC(=O)C(=O)C WXVL_AK0286SB0051 [0,1,0,0,0,0|1,0,0]=2 67 B11R0.42 CCCCCCNC(=O)C(=O)C WXVL_AK0286SB0051 [0,1,0,0,0,0|1,0,0]=2 68 B11R0.42 CCCCCCNC(=O)C(=O)N WXVL_AK0286SB0128 [0,1,0,0,0,0|2,0,0]=3 69 B11R0.42 CCCCCCNC(=O)C(=O)N WXVL_AK0286SB0128 [0,1,0,0,0,0|2,0,0]=3 70 B11R0.42 CCCCCCNC(=O)C(C)C WXVL_AK0286SB0052 [0,1,0,0,0,0|2,0,1]=4 71 B11R0.42 CCCCCCNC(=O)C(C)C WXVL_AK0286SB0052 [0,1,0,0,0,0|2,0,1]=4 72 B11R0.42 CCCCCCNC(=O)C(C)S WXVL_AK0286SB2708 [0,1,0,0,0,0|1,1,1]=4 73 B11R0.42 CCCCCCNC(=O)C(C)S WXVL_AK0286SB2708 [0,1,0,0,0,0|1,1,1]=4 74 B11R0.42 CCCCCCNC(=O)[C@@H](C)O WXVL_AK0286SB1085 [0,1,0,0,0,0|1,0,2]=4 75 B11R0.42 CCCCCCNC(=O)[C@@H](C)O WXVL_AK0286SB1085 [0,1,0,0,0,0|1,0,2]=4 76 B11R0.42 CCOCCCNC(=O)C(=O)C WXVL_AK0072SB0051 [0,1,0,0,0,0|2,0,0]=3 77 B11R0.42 CCOCCCNC(=O)C(=O)C WXVL_AK0072SB0051 [0,1,0,0,0,0|2,0,0]=3 78 B11R0.42 CCOCCCNC(=O)C(=O)N WXVL_AK0072SB0128 [0,1,0,0,0,0|3,0,0]=4 79 B11R0.42 CCOCCCNC(=O)C(=O)N WXVL_AK0072SB0128 [0,1,0,0,0,0|3,0,0]=4 80 B11R0.42 NC(=O)C(=O)NCCCCCO WXVL_AK0077SB0128 [0,1,0,0,0,0|3,0,0]=4 81 B11R0.42 NC(=O)C(=O)NCCCCCO WXVL_AK0077SB0128 [0,1,0,0,0,0|3,0,0]=4 82 B11R0.148 CCCCCCCCCC(=O)N WXVL_AK0084SB0447 [0,1,0,0,0,0|1,0,2]=4 83 B11R0.148 CCCCCCCCCC(=O)N WXVL_AK0084SB0447 [0,1,0,0,0,0|1,0,2]=4 84 B11R0.148 CCCCCCCCNC(=O)C WXVL_AK1818SB0150 [0,1,0,0,0,0|0,0,2]=3 85 B11R0.148 CCCCCCCCNC(=O)C WXVL_AK1818SB0150 [0,1,0,0,0,0|0,0,2]=3 86 B11R0.148 CCCCOCCCNC(=O)C WXVL_AK2310SB0150 [0,1,0,0,0,0|1,0,1]=3 87 B11R0.148 CCCCOCCCNC(=O)C WXVL_AK2310SB0150 [0,1,0,0,0,0|1,0,1]=3 88 B11R1.53 CC(=O)N1CCCCC1CO WXVL_AN0018SB0150 [0,0,0,1,0,0|2,0,1]=4 89 B11R1.53 CC(=O)N1CCCCC1CO WXVL_AN0018SB0150 [0,0,0,1,0,0|2,0,1]=4 90 B11R1.90 CC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0150 [0,0,0,1,0,0|2,0,1]=4 91 B11R1.90 CC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0150 [0,0,0,1,0,0|2,0,1]=4 92 B11R1.91 CC(=O)NCC1CCCCO1 WXVL_AK1232SB0150 [0,0,0,1,0,0|2,0,1]=4 93 B11R1.91 CC(=O)NCC1CCCCO1 WXVL_AK1232SB0150 [0,0,0,1,0,0|2,0,1]=4 94 B11R1.91 CC(=O)NCC1CCCOC1 WXVL_AK00150SB0150 [0,0,0,1,0,0|2,0,1]=4 95 B11R1.91 CC(=O)NCC1CCCOC1 WXVL_AK00150SB0150 [0,0,0,1,0,0|2,0,1]=4 96 B11R1.91 CC(=O)NCC1CCOCC1 WXVL_AK0150SB0150 [0,0,0,1,0,0|2,0,1]=4 97 B11R1.91 CC(=O)NCC1CCOCC1 WXVL_AK0150SB0150 [0,0,0,1,0,0|2,0,1]=4 98 B11R1.91 CC(=O)NCC1CCSCC1 WXVL_AK00654SB0150 [0,0,0,1,0,0|2,0,1]=4 99 B11R1.91 CC(=O)NCC1CCSCC1 WXVL_AK00654SB0150 [0,0,0,1,0,0|2,0,1]=4 100 B11R1.91 NC(=O)/C=C/C1CCCCC1 WXVL_AK0084SB5384 [0,0,0,1,0,0|1,0,0]=2 101 B11R1.91 NC(=O)/C=C/C1CCCCC1 WXVL_AK0084SB5384 [0,0,0,1,0,0|1,0,0]=2 102 B11R1.91 NC(=O)CCC1CCCCC1 WXVL_AK0084SB0049 [0,0,0,1,0,0|1,0,2]=4 103 B11R1.91 NC(=O)CCC1CCCCC1 WXVL_AK0084SB0049 [0,0,0,1,0,0|1,0,2]=4 104 B11R1.91 NC(=O)COC1CCCCC1 WXVL_AK0084SB3400 [0,0,0,1,0,0|2,0,1]=4 105 B11R1.91 NC(=O)COC1CCCCC1 WXVL_AK0084SB3400 [0,0,0,1,0,0|2,0,1]=4 106 B11R1.172 CC(=O)NCCC1CCCC1 WXVL_AK00531SB0150 [0,0,0,1,0,0|1,0,1]=3 107 B11R1.172 CC(=O)NCCC1CCCC1 WXVL_AK00531SB0150 [0,0,0,1,0,0|1,0,1]=3 108 B8R0.7 CC(=O)NCCCCO WXVL_AK0075SB0150 [2,0,0,0,0,0|2,0,0]=4 109 B8R0.7 CC(=O)NCCCCO WXVL_AK0075SB0150 [2,0,0,0,0,0|2,0,0]=4 110 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [2,0,0,0,0,0|1,0,0]=3 111 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [2,0,0,0,0,0|1,0,0]=3 112 B8R0.7 CCSCCNC(=O)C WXVL_AK00494SB0150 [2,0,0,0,0,0|2,0,0]=4 113 B8R0.7 CCSCCNC(=O)C WXVL_AK00494SB0150 [2,0,0,0,0,0|2,0,0]=4 114 B8R0.7 COCCCNC(=O)C WXVL_AK00637SB0150 [2,0,0,0,0,0|2,0,0]=4 115 B8R0.7 COCCCNC(=O)C WXVL_AK00637SB0150 [2,0,0,0,0,0|2,0,0]=4 116 B8R0.7 CSCCCNC(=O)C WXVL_AK0965SB0150 [2,0,0,0,0,0|2,0,0]=4 117 B8R0.7 CSCCCNC(=O)C WXVL_AK0965SB0150 [2,0,0,0,0,0|2,0,0]=4 118 B8R0.7 NC(=O)CCCCCBr WXVL_AK0084SB2192 [2,0,0,0,0,0|2,0,0]=4 119 B8R0.7 NC(=O)CCCCCBr WXVL_AK0084SB2192 [2,0,0,0,0,0|2,0,0]=4 120 B8R0.7 NC(=O)CCCCCO WXVL_AK0084SB2973 [2,0,0,0,0,0|2,0,0]=4 121 B8R0.7 NC(=O)CCCCCO WXVL_AK0084SB2973 [2,0,0,0,0,0|2,0,0]=4 122 B10R0.6 CCCCNC(=O)C=C(C)C WXVL_AK00588SB0342 [1,1,0,0,0,0|2,0,0]=4 123 B10R0.6 CCCCNC(=O)C=C(C)C WXVL_AK00588SB0342 [1,1,0,0,0,0|2,0,0]=4 124 B10R0.74 C#CC(=O)NCCCCCC WXVL_AK0286SB0338 [1,1,0,0,0,0|1,0,1]=4 125 B10R0.74 C#CC(=O)NCCCCCC WXVL_AK0286SB0338 [1,1,0,0,0,0|1,0,1]=4 126 B10R0.74 CCC(=O)NCCCCCO WXVL_AK0077SB0064 [1,1,0,0,0,0|2,0,0]=4 127 B10R0.74 CCC(=O)NCCCCCO WXVL_AK0077SB0064 [1,1,0,0,0,0|2,0,0]=4 128 B10R0.74 CCCCC/C=C/C(=O)NC WXVL_AK00442SB3331 [1,1,0,0,0,0|0,0,0]=2 129 B10R0.74 CCCCC/C=C/C(=O)NC WXVL_AK00442SB3331 [1,1,0,0,0,0|0,0,0]=2 130 B10R0.74 CCCCCCCC(=O)NC WXVL_AK00442SB0393 [1,1,0,0,0,0|0,0,1]=3 131 B10R0.74 CCCCCCCC(=O)NC WXVL_AK00442SB0393 [1,1,0,0,0,0|0,0,1]=3 132 B10R0.74 CCCCCCNC(=O)CC WXVL_AK0286SB0064 [1,1,0,0,0,0|1,0,0]=3 133 B10R0.74 CCCCCCNC(=O)CC WXVL_AK0286SB0064 [1,1,0,0,0,0|1,0,0]=3 134 B10R0.74 CCCCCCNC(=O)CO WXVL_AK0286SB2706 [1,1,0,0,0,0|1,0,0]=3 135 B10R0.74 CCCCCCNC(=O)CO WXVL_AK0286SB2706 [1,1,0,0,0,0|1,0,0]=3 136 B10R0.74 CCOCCCNC(=O)CC WXVL_AK0072SB0064 [1,1,0,0,0,0|2,0,0]=4 137 B10R0.74 CCOCCCNC(=O)CC WXVL_AK0072SB0064 [1,1,0,0,0,0|2,0,0]=4 138 B10R0.74 CCOCCCNC(=O)CO WXVL_AK0072SB2706 [1,1,0,0,0,0|2,0,0]=4 139 B10R0.74 CCOCCCNC(=O)CO WXVL_AK0072SB2706 [1,1,0,0,0,0|2,0,0]=4 140 B10R0.74 CNC(=O)CCCCCCBr WXVL_AK00442SB1386 [1,1,0,0,0,0|1,0,1]=4 141 B10R0.74 CNC(=O)CCCCCCBr WXVL_AK00442SB1386 [1,1,0,0,0,0|1,0,1]=4 142 B10R0.74 O=C(CO)NCCCCCO WXVL_AK0077SB2706 [1,1,0,0,0,0|2,0,0]=4 143 B10R0.74 O=C(CO)NCCCCCO WXVL_AK0077SB2706 [1,1,0,0,0,0|2,0,0]=4 144 B10R0.75 CC(=O)C(=O)NCCCCO WXVL_AK0075SB0051 [1,1,0,0,0,0|2,0,0]=4 145 B10R0.75 CC(=O)C(=O)NCCCCO WXVL_AK0075SB0051 [1,1,0,0,0,0|2,0,0]=4 146 B10R0.75 CCCCCNC(=O)C(=O)C WXVL_AK0076SB0051 [1,1,0,0,0,0|1,0,0]=3 147 B10R0.75 CCCCCNC(=O)C(=O)C WXVL_AK0076SB0051 [1,1,0,0,0,0|1,0,0]=3 148 B10R0.75 CCCCCNC(=O)C(=O)N WXVL_AK0076SB0128 [1,1,0,0,0,0|2,0,0]=4 149 B10R0.75 CCCCCNC(=O)C(=O)N WXVL_AK0076SB0128 [1,1,0,0,0,0|2,0,0]=4 150 B10R0.75 CCSCCNC(=O)C(=O)C WXVL_AK00494SB0051 [1,1,0,0,0,0|2,0,0]=4 151 B10R0.75 CCSCCNC(=O)C(=O)C WXVL_AK00494SB0051 [1,1,0,0,0,0|2,0,0]=4 152 B10R0.75 COCCCNC(=O)C(=O)C WXVL_AK00637SB0051 [1,1,0,0,0,0|2,0,0]=4 153 B10R0.75 COCCCNC(=O)C(=O)C WXVL_AK00637SB0051 [1,1,0,0,0,0|2,0,0]=4 154 B10R0.75 CSCCCNC(=O)C(=O)C WXVL_AK0965SB0051 [1,1,0,0,0,0|2,0,0]=4 155 B10R0.75 CSCCCNC(=O)C(=O)C WXVL_AK0965SB0051 [1,1,0,0,0,0|2,0,0]=4 156 B10R0.78 CCCCC(C)CCC(=O)N WXVL_AK0084SB1315 [1,1,0,0,0,0|1,0,1]=4 157 B10R0.78 CCCCC(C)CCC(=O)N WXVL_AK0084SB1315 [1,1,0,0,0,0|1,0,1]=4 158 B10R0.97 CC(=O)NCCCCN(C)C WXVL_AK0097SB0150 [1,1,0,0,0,0|2,0,0]=4 159 B10R0.97 CC(=O)NCCCCN(C)C WXVL_AK0097SB0150 [1,1,0,0,0,0|2,0,0]=4 160 B10R0.1 C/C=C/C(=O)NCCCCC WXVL_AK0076SB0340 [1,1,0,0,0,0|1,0,0]=3 161 B10R0.1 C/C=C/C(=O)NCCCCC WXVL_AK0076SB0340 [1,1,0,0,0,0|1,0,0]=3 162 B10R0.1 C/C=C/C(=O)NCCCCO WXVL_AK0075SB0340 [1,1,0,0,0,0|2,0,0]=4 163 B10R0.1 C/C=C/C(=O)NCCCCO WXVL_AK0075SB0340 [1,1,0,0,0,0|2,0,0]=4 164 B10R0.1 C/C=C/C(=O)NCCCOC WXVL_AK00637SB0340 [1,1,0,0,0,0|2,0,0]=4 165 B10R0.1 C/C=C/C(=O)NCCCOC WXVL_AK00637SB0340 [1,1,0,0,0,0|2,0,0]=4 166 B10R0.1 C/C=C/C(=O)NCCCSC WXVL_AK0965SB0340 [1,1,0,0,0,0|2,0,0]=4 167 B10R0.1 C/C=C/C(=O)NCCCSC WXVL_AK0965SB0340 [1,1,0,0,0,0|2,0,0]=4 168 B10R0.1 C/C=C/C(=O)NCCSCC WXVL_AK00494SB0340 [1,1,0,0,0,0|2,0,0]=4 169 B10R0.1 C/C=C/C(=O)NCCSCC WXVL_AK00494SB0340 [1,1,0,0,0,0|2,0,0]=4 170 B12R0.4 CC(=CC(=O)NCCCCCO)C WXVL_AK0077SB0342 [0,2,0,0,0,0|2,0,0]=4 171 B12R0.4 CC(=CC(=O)NCCCCCO)C WXVL_AK0077SB0342 [0,2,0,0,0,0|2,0,0]=4 172 B12R0.4 CCCCCCNC(=O)C=C(C)C WXVL_AK0286SB0342 [0,2,0,0,0,0|1,0,0]=3 173 B12R0.4 CCCCCCNC(=O)C=C(C)C WXVL_AK0286SB0342 [0,2,0,0,0,0|1,0,0]=3 174 B12R0.4 CCOCCCNC(=O)C=C(C)C WXVL_AK0072SB0342 [0,2,0,0,0,0|2,0,0]=4 175 B12R0.4 CCOCCCNC(=O)C=C(C)C WXVL_AK0072SB0342 [0,2,0,0,0,0|2,0,0]=4 176 B12R0.113 CCCCCNC(=O)CC(=O)OC WXVL_AK0076SB2790 [0,2,0,0,0,0|1,0,1]=4 177 B12R0.113 CCCCCNC(=O)CC(=O)OC WXVL_AK0076SB2790 [0,2,0,0,0,0|1,0,1]=4 178 B12R0.42 CC(=O)C(=O)NCCCCN(C)C WXVL_AK0097SB0051 [0,2,0,0,0,0|2,0,0]=4 179 B12R0.42 CC(=O)C(=O)NCCCCN(C)C WXVL_AK0097SB0051 [0,2,0,0,0,0|2,0,0]=4 180 B12R0.1 CCCCCCCCC(=O)NCC WXVL_AK00476SB0409 [0,2,0,0,0,0|0,0,2]=4 181 B12R0.1 CCCCCCCCC(=O)NCC WXVL_AK00476SB0409 [0,2,0,0,0,0|0,0,2]=4 182 B12R0.49 C/C=C(\C)/C(=O)NCCCCCC WXVL_AK0286SB0343 [0,2,0,0,0,0|2,0,0]=4 183 B12R0.49 C/C=C(\C)/C(=O)NCCCCCC WXVL_AK0286SB0343 [0,2,0,0,0,0|2,0,0]=4 184 B12R0.49 CCC(=O)C(=O)NCCCCCO WXVL_AK0077SB0344 [0,2,0,0,0,0|2,0,0]=4 185 B12R0.49 CCC(=O)C(=O)NCCCCCO WXVL_AK0077SB0344 [0,2,0,0,0,0|2,0,0]=4 186 B12R0.49 CCCCCCNC(=O)C(=O)CC WXVL_AK0286SB0344 [0,2,0,0,0,0|1,0,0]=3 187 B12R0.49 CCCCCCNC(=O)C(=O)CC WXVL_AK0286SB0344 [0,2,0,0,0,0|1,0,0]=3 188 B12R0.49 CCOCCCNC(=O)C(=O)CC WXVL_AK0072SB0344 [0,2,0,0,0,0|2,0,0]=4 189 B12R0.49 CCOCCCNC(=O)C(=O)CC WXVL_AK0072SB0344 [0,2,0,0,0,0|2,0,0]=4 190 B12R0.248 CCCCCCCCCC(=O)NC WXVL_AK00442SB0447 [0,2,0,0,0,0|0,0,2]=4 191 B12R0.248 CCCCCCCCCC(=O)NC WXVL_AK00442SB0447 [0,2,0,0,0,0|0,0,2]=4 192 B12R0.248 CCCCCCCCNC(=O)CC WXVL_AK1818SB0064 [0,2,0,0,0,0|0,0,2]=4 193 B12R0.248 CCCCCCCCNC(=O)CC WXVL_AK1818SB0064 [0,2,0,0,0,0|0,0,2]=4 194 B12R0.248 CCCCCCCCNC(=O)CO WXVL_AK1818SB2706 [0,2,0,0,0,0|0,0,2]=4 195 B12R0.248 CCCCCCCCNC(=O)CO WXVL_AK1818SB2706 [0,2,0,0,0,0|0,0,2]=4 196 B12R0.248 CCCCCCCCNC(=O)NC WXVL_AK00442YV0182 [0,2,0,0,0,0|0,0,2]=4 197 B12R0.248 CCCCCCCCNC(=O)NC WXVL_AK00442YV0182 [0,2,0,0,0,0|0,0,2]=4 198 B12R0.248 CCCCOCCCNC(=O)CC WXVL_AK2310SB0064 [0,2,0,0,0,0|1,0,1]=4 199 B12R0.248 CCCCOCCCNC(=O)CC WXVL_AK2310SB0064 [0,2,0,0,0,0|1,0,1]=4 200 B12R0.248 CCCCOCCCNC(=O)CO WXVL_AK2310SB2706 [0,2,0,0,0,0|1,0,1]=4 201 B12R0.248 CCCCOCCCNC(=O)CO WXVL_AK2310SB2706 [0,2,0,0,0,0|1,0,1]=4 202 B12R0.251 CC(=O)C(=O)NCCCCCCO WXVL_AK0751SB0051 [0,2,0,0,0,0|1,0,0]=3 203 B12R0.251 CC(=O)C(=O)NCCCCCCO WXVL_AK0751SB0051 [0,2,0,0,0,0|1,0,0]=3 204 B12R0.251 CCCCCCCCC(=O)N(C)C WXVL_AN0032SB0409 [0,2,0,0,0,0|0,0,2]=4 205 B12R0.251 CCCCCCCCC(=O)N(C)C WXVL_AN0032SB0409 [0,2,0,0,0,0|0,0,2]=4 206 B12R0.251 CCCCOCCNC(=O)C(=O)C WXVL_AK9674SB0051 [0,2,0,0,0,0|1,0,0]=3 207 B12R0.251 CCCCOCCNC(=O)C(=O)C WXVL_AK9674SB0051 [0,2,0,0,0,0|1,0,0]=3 208 B12R0.251 CCCCOCCNC(=O)C(=O)N WXVL_AK9674SB0128 [0,2,0,0,0,0|2,0,0]=4 209 B12R0.251 CCCCOCCNC(=O)C(=O)N WXVL_AK9674SB0128 [0,2,0,0,0,0|2,0,0]=4 210 B12R0.251 COCCOCCNC(=O)C(=O)C WXVL_AK2206SB0051 [0,2,0,0,0,0|2,0,0]=4 211 B12R0.251 COCCOCCNC(=O)C(=O)C WXVL_AK2206SB0051 [0,2,0,0,0,0|2,0,0]=4 212 B12R0.251 NC(=O)C(=O)NCCCCCCO WXVL_AK0751SB0128 [0,2,0,0,0,0|2,0,0]=4 213 B12R0.251 NC(=O)C(=O)NCCCCCCO WXVL_AK0751SB0128 [0,2,0,0,0,0|2,0,0]=4 214 B12R0.255 CCCCCNC(=O)CCC(=O)C WXVL_AK0076SB0072 [0,2,0,0,0,0|1,0,1]=4 215 B12R0.255 CCCCCNC(=O)CCC(=O)C WXVL_AK0076SB0072 [0,2,0,0,0,0|1,0,1]=4 216 B12R0.255 CCCCCNC(=O)CNC(=O)C WXVL_AK0076SB0357 [0,2,0,0,0,0|1,0,1]=4 217 B12R0.255 CCCCCNC(=O)CNC(=O)C WXVL_AK0076SB0357 [0,2,0,0,0,0|1,0,1]=4 218 B12R0.255 CCCCCNC(=O)COC(=O)C WXVL_AK0076SB2824 [0,2,0,0,0,0|1,0,1]=4 219 B12R0.255 CCCCCNC(=O)COC(=O)C WXVL_AK0076SB2824 [0,2,0,0,0,0|1,0,1]=4 220 B12R0.255 CCCCCNC(=O)CSC(=O)C WXVL_AK0076SB3992 [0,2,0,0,0,0|1,0,1]=4 221 B12R0.255 CCCCCNC(=O)CSC(=O)C WXVL_AK0076SB3992 [0,2,0,0,0,0|1,0,1]=4 222 B12R0.234 CC(=O)NCCCCCCCCO WXVL_AK4142SB0150 [0,2,0,0,0,0|0,0,2]=4 223 B12R0.234 CC(=O)NCCCCCCCCO WXVL_AK4142SB0150 [0,2,0,0,0,0|0,0,2]=4 224 B12R0.234 CCCCCCCCCNC(=O)C WXVL_AK1826SB0150 [0,2,0,0,0,0|0,0,2]=4 225 B12R0.234 CCCCCCCCCNC(=O)C WXVL_AK1826SB0150 [0,2,0,0,0,0|0,0,2]=4 226 B10R1.18 CC(=O)NC1CCCCC1 WXVL_AK00480SB0150 [1,0,0,1,0,0|1,0,0]=3 227 B10R1.18 CC(=O)NC1CCCCC1 WXVL_AK00480SB0150 [1,0,0,1,0,0|1,0,0]=3 228 B10R1.18 CC(=O)NC1CCCOC1 WXVL_AK1073SB0150 [1,0,0,1,0,0|2,0,0]=4 229 B10R1.18 CC(=O)NC1CCCOC1 WXVL_AK1073SB0150 [1,0,0,1,0,0|2,0,0]=4 230 B10R1.39 CC(=O)N1CCC[C@H]1CO WXVL_AN0917SB0150 [1,0,0,1,0,0|2,0,0]=4 231 B10R1.61 CC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0150 [1,0,0,1,0,0|1,0,0]=3 232 B10R1.61 CC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0150 [1,0,0,1,0,0|2,0,0]=4 233 B10R1.61 CC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0150 [1,0,0,1,0,0|2,0,0]=4 234 B10R1.61 CC(=O)N1CCOC[C@H]1C WXVL_AN00562SB0150 [1,0,0,1,0,0|2,0,0]=4 235 B10R1.66 CC(=O)NCC1CCCC1 WXVL_AK0303SB0150 [1,0,0,1,0,0|1,0,0]=3 236 B10R1.66 CC(=O)NCC1CCCC1 WXVL_AK0303SB0150 [1,0,0,1,0,0|1,0,0]=3 237 B10R1.66 CC(=O)NCC1CCOC1 WXVL_AK00634SB0150 [1,0,0,1,0,0|2,0,0]=4 238 B10R1.66 CC(=O)NCC1CCOC1 WXVL_AK00634SB0150 [1,0,0,1,0,0|2,0,0]=4 239 B10R1.66 CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0150 [1,0,0,1,0,0|2,0,0]=4 240 B10R1.66 CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0150 [1,0,0,1,0,0|2,0,0]=4 241 B10R1.66 CC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0150 [1,0,0,1,0,0|2,0,0]=4 242 B10R1.66 CC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0150 [1,0,0,1,0,0|2,0,0]=4 243 B10R1.66 NC(=O)/C=C/C1CCCC1 WXVL_AK0084SB5314 [1,0,0,1,0,0|1,0,0]=3 244 B10R1.66 NC(=O)/C=C/C1CCCC1 WXVL_AK0084SB5314 [1,0,0,1,0,0|1,0,0]=3 245 B10R1.66 NC(=O)CCC1CCCC1 WXVL_AK0084SB0045 [1,0,0,1,0,0|1,0,1]=4 246 B10R1.66 NC(=O)CCC1CCCC1 WXVL_AK0084SB0045 [1,0,0,1,0,0|1,0,1]=4 247 B10R1.127 CC(=O)NCCC1CCC1 WXVL_AK2418SB0150 [1,0,0,1,0,0|1,0,0]=3 248 B10R1.127 CC(=O)NCCC1CCC1 WXVL_AK2418SB0150 [1,0,0,1,0,0|1,0,0]=3 249 B10R1.348 CC(=O)N1CCCOCC1 WXVL_AN00350SB0150 [1,0,0,1,0,0|2,0,0]=4 250 B10R1.348 CC(=O)N1CCCOCC1 WXVL_AN00350SB0150 [1,0,0,1,0,0|2,0,0]=4 251 B10R1.348 NC(=O)C1CCCCCC1 WXVL_AK0084SB0385 [1,0,0,1,0,0|1,0,1]=4 252 B10R1.348 NC(=O)C1CCCCCC1 WXVL_AK0084SB0385 [1,0,0,1,0,0|1,0,1]=4 253 B12R1.144 CC(=CC(=O)N1CCC[C@H]1C)C WXVL_AN00593SB0342 [0,1,0,1,0,0|2,0,0]=4 254 B12R1.1376 CC(=CC(=O)NCC1CCC1)C WXVL_AK00492SB0342 [0,1,0,1,0,0|2,0,0]=4 255 B12R1.1376 CC(=CC(=O)NCC1CCC1)C WXVL_AK00492SB0342 [0,1,0,1,0,0|2,0,0]=4 256 B12R1.1377 CC(=CC(=O)NCCC1CC1)C WXVL_AK00594SB0342 [0,1,0,1,0,0|2,0,0]=4 257 B12R1.1377 CC(=CC(=O)NCCC1CC1)C WXVL_AK00594SB0342 [0,1,0,1,0,0|2,0,0]=4 258 B12R1.27 CNC(=O)/C=C/C1CCCCC1 WXVL_AK00442SB5384 [0,1,0,1,0,0|0,0,0]=2 259 B12R1.27 CNC(=O)/C=C/C1CCCCC1 WXVL_AK00442SB5384 [0,1,0,1,0,0|0,0,0]=2 260 B12R1.27 CNC(=O)CCC1CCCCC1 WXVL_AK00442SB0049 [0,1,0,1,0,0|0,0,2]=4 261 B12R1.27 CNC(=O)CCC1CCCCC1 WXVL_AK00442SB0049 [0,1,0,1,0,0|0,0,2]=4 262 B12R1.27 CNC(=O)COC1CCCCC1 WXVL_AK00442SB3400 [0,1,0,1,0,0|1,0,1]=4 263 B12R1.27 CNC(=O)COC1CCCCC1 WXVL_AK00442SB3400 [0,1,0,1,0,0|1,0,1]=4 264 B12R1.477 CCC(=O)NCCC1CCCC1 WXVL_AK00531SB0064 [0,1,0,1,0,0|1,0,1]=4 265 B12R1.477 CCC(=O)NCCC1CCCC1 WXVL_AK00531SB0064 [0,1,0,1,0,0|1,0,1]=4 266 B12R1.477 O=C(CO)NCCC1CCCC1 WXVL_AK00531SB2706 [0,1,0,1,0,0|1,0,1]=4 267 B12R1.477 O=C(CO)NCCC1CCCC1 WXVL_AK00531SB2706 [0,1,0,1,0,0|1,0,1]=4 268 B12R1.43 CC(=O)C(=O)NC1CCCCC1 WXVL_AK00480SB0051 [0,1,0,1,0,0|1,0,0]=3 269 B12R1.43 CC(=O)C(=O)NC1CCCCC1 WXVL_AK00480SB0051 [0,1,0,1,0,0|1,0,0]=3 270 B12R1.43 CC(=O)C(=O)NC1CCCOC1 WXVL_AK1073SB0051 [0,1,0,1,0,0|2,0,0]=4 271 B12R1.43 CC(=O)C(=O)NC1CCCOC1 WXVL_AK1073SB0051 [0,1,0,1,0,0|2,0,0]=4 272 B12R1.43 NC(=O)C(=O)NC1CCCCC1 WXVL_AK00480SB0128 [0,1,0,1,0,0|2,0,0]=4 273 B12R1.43 NC(=O)C(=O)NC1CCCCC1 WXVL_AK00480SB0128 [0,1,0,1,0,0|2,0,0]=4 274 B12R1.80 CC(=O)C(=O)N1CCC[C@H]1CO WXVL_AN0917SB0051 [0,1,0,1,0,0|2,0,0]=4 275 B12R1.124 CC(=O)C(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0051 [0,1,0,1,0,0|1,0,0]=3 276 B12R1.124 CC(=O)C(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0051 [0,1,0,1,0,0|2,0,0]=4 277 B12R1.124 CC(=O)C(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0051 [0,1,0,1,0,0|2,0,0]=4 278 B12R1.124 CC(=O)C(=O)N1CCOC[C@H]1C WXVL_AN00562SB0051 [0,1,0,1,0,0|2,0,0]=4 279 B12R1.124 C[C@H]1CCCCN1C(=O)C(=O)N WXVL_AN00851SB0128 [0,1,0,1,0,0|2,0,0]=4 280 B12R1.264 CC(=O)C(=O)NCC1CCCC1 WXVL_AK0303SB0051 [0,1,0,1,0,0|1,0,0]=3 281 B12R1.264 CC(=O)C(=O)NCC1CCCC1 WXVL_AK0303SB0051 [0,1,0,1,0,0|1,0,0]=3 282 B12R1.264 CC(=O)C(=O)NCC1CCOC1 WXVL_AK00634SB0051 [0,1,0,1,0,0|2,0,0]=4 283 B12R1.264 CC(=O)C(=O)NCC1CCOC1 WXVL_AK00634SB0051 [0,1,0,1,0,0|2,0,0]=4 284 B12R1.264 CC(=O)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0051 [0,1,0,1,0,0|2,0,0]=4 285 B12R1.264 CC(=O)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0051 [0,1,0,1,0,0|2,0,0]=4 286 B12R1.264 CC(=O)C(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0051 [0,1,0,1,0,0|2,0,0]=4 287 B12R1.264 CC(=O)C(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0051 [0,1,0,1,0,0|2,0,0]=4 288 B12R1.264 NC(=O)C(=O)NCC1CCCC1 WXVL_AK0303SB0128 [0,1,0,1,0,0|2,0,0]=4 289 B12R1.264 NC(=O)C(=O)NCC1CCCC1 WXVL_AK0303SB0128 [0,1,0,1,0,0|2,0,0]=4 290 B12R1.1396 CC(=O)C(=O)NCCC1CCC1 WXVL_AK2418SB0051 [0,1,0,1,0,0|1,0,0]=3 291 B12R1.1396 CC(=O)C(=O)NCCC1CCC1 WXVL_AK2418SB0051 [0,1,0,1,0,0|1,0,0]=3 292 B12R1.1396 NC(=O)C(=O)NCCC1CCC1 WXVL_AK2418SB0128 [0,1,0,1,0,0|2,0,0]=4 293 B12R1.1396 NC(=O)C(=O)NCCC1CCC1 WXVL_AK2418SB0128 [0,1,0,1,0,0|2,0,0]=4 294 B12R1.2197 CC(=O)C(=O)N1CCCOCC1 WXVL_AN00350SB0051 [0,1,0,1,0,0|2,0,0]=4 295 B12R1.2197 CC(=O)C(=O)N1CCCOCC1 WXVL_AN00350SB0051 [0,1,0,1,0,0|2,0,0]=4 296 B12R1.3110 CC(=O)NCC1(CCCCC1)O WXVL_AK00611SB0150 [0,1,0,1,0,0|1,0,1]=4 297 B12R1.3110 CC(=O)NCC1(CCCCC1)O WXVL_AK00611SB0150 [0,1,0,1,0,0|1,0,1]=4 298 B12R1.21 CC(=O)NC[C@H]1CC[C@@H](CC1)O WXVL_AK5708SB0150 [0,1,0,1,0,0|1,0,1]=4 299 B12R1.21 CC(=O)NC[C@H]1CC[C@@H](CC1)O WXVL_AK5708SB0150 [0,1,0,1,0,0|1,0,1]=4 300 B12R1.252 CC(=O)NCCC1CCCCC1 WXVL_AK1287SB0150 [0,1,0,1,0,0|0,0,2]=4 301 B12R1.252 CC(=O)NCCC1CCCCC1 WXVL_AK1287SB0150 [0,1,0,1,0,0|0,0,2]=4 302 B12R1.252 CC(=O)NCCC1CCOCC1 WXVL_AK0294SB0150 [0,1,0,1,0,0|1,0,1]=4 303 B12R1.252 CC(=O)NCCC1CCOCC1 WXVL_AK0294SB0150 [0,1,0,1,0,0|1,0,1]=4 304 B12R1.252 CC(=O)NCCN1CCCCC1 WXVL_AK0023SB0150 [0,1,0,1,0,0|1,0,1]=4 305 B12R1.252 CC(=O)NCCN1CCCCC1 WXVL_AK0023SB0150 [0,1,0,1,0,0|1,0,1]=4 306 B12R1.130 CC(=O)NCCC1CCCN1C WXVL_AK2343SB0150 [0,1,0,1,0,0|1,0,1]=4 307 B12R1.130 CC(=O)NCCC1CCCN1C WXVL_AK2343SB0150 [0,1,0,1,0,0|1,0,1]=4 308 B12R1.255 CC(=O)NCCCN1CCCC1 WXVL_AK0085SB0150 [0,1,0,1,0,0|1,0,1]=4 309 B12R1.255 CC(=O)NCCCN1CCCC1 WXVL_AK0085SB0150 [0,1,0,1,0,0|1,0,1]=4 310 B12R1.255 CC(=O)NCCOC1CCCC1 WXVL_AK3996SB0150 [0,1,0,1,0,0|1,0,1]=4 311 B12R1.255 CC(=O)NCCOC1CCCC1 WXVL_AK3996SB0150 [0,1,0,1,0,0|1,0,1]=4 312 B12R1.283 CC(=O)N1CCCCC1CCO WXVL_AN2918SB0150 [0,1,0,1,0,0|1,0,1]=4 313 B12R1.283 CC(=O)N1CCCC[C@@H]1CCO WXVL_AN00657SB0150 [0,1,0,1,0,0|1,0,1]=4 314 B12R1.283 COCC1CCCCN1C(=O)C WXVL_AN0507SB0150 [0,1,0,1,0,0|1,0,1]=4 315 B12R1.283 COCC1CCCCN1C(=O)C WXVL_AN0507SB0150 [0,1,0,1,0,0|1,0,1]=4 316 B12R1.386 CCCCC1CCCN1C(=O)C WXVL_AN00739SB0150 [0,1,0,1,0,0|0,0,2]=4 317 B12R2.1392 CC(=O)N1CC2CCC1CC2 WXVL_AN3285SB0150 [0,0,0,2,0,0|1,0,1]=4 318 B12R2.1392 CC(=O)N1CC2CCC1CC2 WXVL_AN3285SB0150 [0,0,0,2,0,0|1,0,1]=4 319 B12R2.252 CC(=O)N1CC2CCCC2C1 WXVL_AN0179SB0150 [0,0,0,2,0,0|1,0,1]=4 320 B12R2.252 CC(=O)N1CC2CCCC2C1 WXVL_AN0179SB0150 [0,0,0,2,0,0|1,0,1]=4