0 B10R0.4 CC(=O)NCCCCCCO WXVL_AK0751SB0150 [0,0,0,0,0,0|2,0,0]=2 1 B10R0.4 CC(=O)NCCCCCCO WXVL_AK0751SB0150 [0,0,0,0,0,0|2,0,0]=2 2 B10R0.4 CCCCCCCCC(=O)N WXVL_AK0084SB0409 [0,0,0,0,0,0|2,0,0]=2 3 B10R0.4 CCCCCCCCC(=O)N WXVL_AK0084SB0409 [0,0,0,0,0,0|2,0,0]=2 4 B10R0.4 CCCCOCCNC(=O)C WXVL_AK9674SB0150 [0,0,0,0,0,0|2,0,0]=2 5 B10R0.4 CCCCOCCNC(=O)C WXVL_AK9674SB0150 [0,0,0,0,0,0|2,0,0]=2 6 B10R0.4 COCCOCCNC(=O)C WXVL_AK2206SB0150 [0,0,0,0,0,0|3,0,0]=3 7 B10R0.4 COCCOCCNC(=O)C WXVL_AK2206SB0150 [0,0,0,0,0,0|3,0,0]=3 8 B10R0.4 NC(=O)CCCCCCCBr WXVL_AK0084SB0559 [0,0,0,0,0,0|3,0,0]=3 9 B10R0.4 NC(=O)CCCCCCCBr WXVL_AK0084SB0559 [0,0,0,0,0,0|3,0,0]=3 10 B10R0.4 NC(=O)CCCCCCCO WXVL_AK0084SB1306 [0,0,0,0,0,0|3,0,0]=3 11 B10R0.4 NC(=O)CCCCCCCO WXVL_AK0084SB1306 [0,0,0,0,0,0|3,0,0]=3 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|1,0,2]=4 19 B9R0.2 CCCCC/C=C/C(=O)N WXVL_AK0084SB3331 [1,0,0,0,0,0|1,0,2]=4 20 B9R0.2 CCCCCCCC(=O)N WXVL_AK0084SB0393 [1,0,0,0,0,0|1,0,0]=2 21 B9R0.2 CCCCCCCC(=O)N WXVL_AK0084SB0393 [1,0,0,0,0,0|1,0,0]=2 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|2,0,0]=3 27 B9R0.2 NC(=O)CCCCCCBr WXVL_AK0084SB1386 [1,0,0,0,0,0|2,0,0]=3 28 B11R0.30 CC(=O)NCCCCCN(C)C WXVL_AK0956SB0150 [0,1,0,0,0,0|2,0,0]=3 29 B11R0.30 CC(=O)NCCCCCN(C)C WXVL_AK0956SB0150 [0,1,0,0,0,0|2,0,0]=3 30 B11R0.40 C#CC(=O)NCCCCCCO WXVL_AK0751SB0338 [0,1,0,0,0,0|2,0,1]=4 31 B11R0.40 C#CC(=O)NCCCCCCO WXVL_AK0751SB0338 [0,1,0,0,0,0|2,0,1]=4 32 B11R0.40 C#CC(=O)NCCOCCCC WXVL_AK9674SB0338 [0,1,0,0,0,0|2,0,1]=4 33 B11R0.40 C#CC(=O)NCCOCCCC WXVL_AK9674SB0338 [0,1,0,0,0,0|2,0,1]=4 34 B11R0.40 CCC(=O)NCCCCCCO WXVL_AK0751SB0064 [0,1,0,0,0,0|2,0,0]=3 35 B11R0.40 CCC(=O)NCCCCCCO WXVL_AK0751SB0064 [0,1,0,0,0,0|2,0,0]=3 36 B11R0.40 CCC(=O)NCCOCCOC WXVL_AK2206SB0064 [0,1,0,0,0,0|3,0,0]=4 37 B11R0.40 CCC(=O)NCCOCCOC WXVL_AK2206SB0064 [0,1,0,0,0,0|3,0,0]=4 38 B11R0.40 CCCCCCCCC(=O)NC WXVL_AK00442SB0409 [0,1,0,0,0,0|1,0,0]=2 39 B11R0.40 CCCCCCCCC(=O)NC WXVL_AK00442SB0409 [0,1,0,0,0,0|1,0,0]=2 40 B11R0.40 CCCCOCCNC(=O)CC WXVL_AK9674SB0064 [0,1,0,0,0,0|2,0,0]=3 41 B11R0.40 CCCCOCCNC(=O)CC WXVL_AK9674SB0064 [0,1,0,0,0,0|2,0,0]=3 42 B11R0.40 CCCCOCCNC(=O)CO WXVL_AK9674SB2706 [0,1,0,0,0,0|2,0,0]=3 43 B11R0.40 CCCCOCCNC(=O)CO WXVL_AK9674SB2706 [0,1,0,0,0,0|2,0,0]=3 44 B11R0.40 CNC(=O)CCCCCCCBr WXVL_AK00442SB0559 [0,1,0,0,0,0|2,0,0]=3 45 B11R0.40 CNC(=O)CCCCCCCBr WXVL_AK00442SB0559 [0,1,0,0,0,0|2,0,0]=3 46 B11R0.40 CNC(=O)CCCCCCCO WXVL_AK00442SB1306 [0,1,0,0,0,0|2,0,0]=3 47 B11R0.40 CNC(=O)CCCCCCCO WXVL_AK00442SB1306 [0,1,0,0,0,0|2,0,0]=3 48 B11R0.40 COCCOCCNC(=O)CO WXVL_AK2206SB2706 [0,1,0,0,0,0|3,0,0]=4 49 B11R0.40 COCCOCCNC(=O)CO WXVL_AK2206SB2706 [0,1,0,0,0,0|3,0,0]=4 50 B11R0.40 O=C(CO)NCCCCCCO WXVL_AK0751SB2706 [0,1,0,0,0,0|2,0,0]=3 51 B11R0.40 O=C(CO)NCCCCCCO WXVL_AK0751SB2706 [0,1,0,0,0,0|2,0,0]=3 52 B11R0.42 CC(=O)C(=O)NCCCCCO WXVL_AK0077SB0051 [0,1,0,0,0,0|3,0,0]=4 53 B11R0.42 CC(=O)C(=O)NCCCCCO WXVL_AK0077SB0051 [0,1,0,0,0,0|3,0,0]=4 54 B11R0.42 CCCCCCCC(=O)N(C)C WXVL_AN0032SB0393 [0,1,0,0,0,0|3,0,0]=4 55 B11R0.42 CCCCCCCC(=O)N(C)C WXVL_AN0032SB0393 [0,1,0,0,0,0|3,0,0]=4 56 B11R0.42 CCCCCCNC(=O)C(=O)C WXVL_AK0286SB0051 [0,1,0,0,0,0|2,0,0]=3 57 B11R0.42 CCCCCCNC(=O)C(=O)C WXVL_AK0286SB0051 [0,1,0,0,0,0|2,0,0]=3 58 B11R0.42 CCCCCCNC(=O)C(=O)N WXVL_AK0286SB0128 [0,1,0,0,0,0|3,0,0]=4 59 B11R0.42 CCCCCCNC(=O)C(=O)N WXVL_AK0286SB0128 [0,1,0,0,0,0|3,0,0]=4 60 B11R0.42 CCOCCCNC(=O)C(=O)C WXVL_AK0072SB0051 [0,1,0,0,0,0|3,0,0]=4 61 B11R0.42 CCOCCCNC(=O)C(=O)C WXVL_AK0072SB0051 [0,1,0,0,0,0|3,0,0]=4 62 B11R0.46 CC(=O)OCC(=O)NCCCO WXVL_AK0073SB2824 [0,1,0,0,0,0|2,0,1]=4 63 B11R0.46 CC(=O)OCC(=O)NCCCO WXVL_AK0073SB2824 [0,1,0,0,0,0|2,0,1]=4 64 B11R0.46 CCCCNC(=O)CCC(=O)C WXVL_AK00588SB0072 [0,1,0,0,0,0|2,0,1]=4 65 B11R0.46 CCCCNC(=O)CCC(=O)C WXVL_AK00588SB0072 [0,1,0,0,0,0|2,0,1]=4 66 B11R0.46 CCCCNC(=O)CNC(=O)C WXVL_AK00588SB0357 [0,1,0,0,0,0|2,0,1]=4 67 B11R0.46 CCCCNC(=O)CNC(=O)C WXVL_AK00588SB0357 [0,1,0,0,0,0|2,0,1]=4 68 B11R0.46 CCCCNC(=O)COC(=O)C WXVL_AK00588SB2824 [0,1,0,0,0,0|1,0,1]=3 69 B11R0.46 CCCCNC(=O)COC(=O)C WXVL_AK00588SB2824 [0,1,0,0,0,0|1,0,1]=3 70 B11R0.46 CCCCNC(=O)CSC(=O)C WXVL_AK00588SB3992 [0,1,0,0,0,0|1,1,1]=4 71 B11R0.46 CCCCNC(=O)CSC(=O)C WXVL_AK00588SB3992 [0,1,0,0,0,0|1,1,1]=4 72 B11R0.46 CSCCNC(=O)COC(=O)C WXVL_AK00440SB2824 [0,1,0,0,0,0|2,0,1]=4 73 B11R0.46 CSCCNC(=O)COC(=O)C WXVL_AK00440SB2824 [0,1,0,0,0,0|2,0,1]=4 74 B11R0.147 CCCNC(=O)CCNC(=O)C WXVL_AK00504SB0374 [0,1,0,0,0,0|2,0,1]=4 75 B11R0.147 CCCNC(=O)CCNC(=O)C WXVL_AK00504SB0374 [0,1,0,0,0,0|2,0,1]=4 76 B11R0.148 CCCCCCCCCC(=O)N WXVL_AK0084SB0447 [0,1,0,0,0,0|2,0,0]=3 77 B11R0.148 CCCCCCCCCC(=O)N WXVL_AK0084SB0447 [0,1,0,0,0,0|2,0,0]=3 78 B11R0.148 CCCCCCCCNC(=O)C WXVL_AK1818SB0150 [0,1,0,0,0,0|1,0,0]=2 79 B11R0.148 CCCCCCCCNC(=O)C WXVL_AK1818SB0150 [0,1,0,0,0,0|1,0,0]=2 80 B11R0.148 CCCCOCCCNC(=O)C WXVL_AK2310SB0150 [0,1,0,0,0,0|1,0,0]=2 81 B11R0.148 CCCCOCCCNC(=O)C WXVL_AK2310SB0150 [0,1,0,0,0,0|1,0,0]=2 82 B11R0.159 CCCCCCCCS(=O)(=O)N WXVL_AK0084HU0331 [0,1,0,0,0,0|3,0,0]=4 83 B11R0.159 CCCCCCCCS(=O)(=O)N WXVL_AK0084HU0331 [0,1,0,0,0,0|3,0,0]=4 84 B11R0.176 CCCC(=O)NCCNC(=O)C WXVL_AK0057SB0073 [0,1,0,0,0,0|2,0,1]=4 85 B11R0.176 CCCC(=O)NCCNC(=O)C WXVL_AK0057SB0073 [0,1,0,0,0,0|2,0,1]=4 86 B11R1.53 CC(=O)N1CCCCC1C#N WXVL_AN00871SB0150 [0,0,0,1,0,0|2,0,1]=4 87 B11R1.53 CC(=O)N1CCCCC1CO WXVL_AN0018SB0150 [0,0,0,1,0,0|2,0,0]=3 88 B11R1.53 CC(=O)N1CCCCC1CO WXVL_AN0018SB0150 [0,0,0,1,0,0|2,0,0]=3 89 B11R1.53 CC(=O)N1CCOCC1CO WXVL_AN00501SB0150 [0,0,0,1,0,0|3,0,0]=4 90 B11R1.53 CC(=O)N1CCOCC1CO WXVL_AN00501SB0150 [0,0,0,1,0,0|3,0,0]=4 91 B11R1.90 CC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0150 [0,0,0,1,0,0|2,0,0]=3 92 B11R1.90 CC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0150 [0,0,0,1,0,0|2,0,0]=3 93 B11R1.91 CC(=O)NCC1CCCCO1 WXVL_AK1232SB0150 [0,0,0,1,0,0|2,0,0]=3 94 B11R1.91 CC(=O)NCC1CCCCO1 WXVL_AK1232SB0150 [0,0,0,1,0,0|2,0,0]=3 95 B11R1.91 CC(=O)NCC1CCCOC1 WXVL_AK00150SB0150 [0,0,0,1,0,0|2,0,0]=3 96 B11R1.91 CC(=O)NCC1CCCOC1 WXVL_AK00150SB0150 [0,0,0,1,0,0|2,0,0]=3 97 B11R1.91 CC(=O)NCC1CCOCC1 WXVL_AK0150SB0150 [0,0,0,1,0,0|2,0,0]=3 98 B11R1.91 CC(=O)NCC1CCOCC1 WXVL_AK0150SB0150 [0,0,0,1,0,0|2,0,0]=3 99 B11R1.91 CC(=O)NCC1CCSCC1 WXVL_AK00654SB0150 [0,0,0,1,0,0|2,0,0]=3 100 B11R1.91 CC(=O)NCC1CCSCC1 WXVL_AK00654SB0150 [0,0,0,1,0,0|2,0,0]=3 101 B11R1.91 CC(=O)NCC1CNCCO1 WXVL_AK1379SB0150 [0,0,0,1,0,0|3,0,0]=4 102 B11R1.91 CC(=O)NCC1CNCCO1 WXVL_AK1379SB0150 [0,0,0,1,0,0|3,0,0]=4 103 B11R1.91 CC(=O)NC[C@H]1COCCO1 WXVL_AK00567SB0150 [0,0,0,1,0,0|3,0,0]=4 104 B11R1.91 CC(=O)NC[C@H]1COCCO1 WXVL_AK00567SB0150 [0,0,0,1,0,0|3,0,0]=4 105 B11R1.91 NC(=O)/C=C/C1CCCCC1 WXVL_AK0084SB5384 [0,0,0,1,0,0|2,0,1]=4 106 B11R1.91 NC(=O)/C=C/C1CCCCC1 WXVL_AK0084SB5384 [0,0,0,1,0,0|2,0,1]=4 107 B11R1.91 NC(=O)CCC1CCCCC1 WXVL_AK0084SB0049 [0,0,0,1,0,0|2,0,0]=3 108 B11R1.91 NC(=O)CCC1CCCCC1 WXVL_AK0084SB0049 [0,0,0,1,0,0|2,0,0]=3 109 B11R1.91 NC(=O)CCN1CCCCC1 WXVL_AK0084SB0127 [0,0,0,1,0,0|3,0,0]=4 110 B11R1.91 NC(=O)CCN1CCCCC1 WXVL_AK0084SB0127 [0,0,0,1,0,0|3,0,0]=4 111 B11R1.91 NC(=O)COC1CCCCC1 WXVL_AK0084SB3400 [0,0,0,1,0,0|3,0,0]=4 112 B11R1.91 NC(=O)COC1CCCCC1 WXVL_AK0084SB3400 [0,0,0,1,0,0|3,0,0]=4 113 B11R1.172 CC(=O)NCCC1CCCC1 WXVL_AK00531SB0150 [0,0,0,1,0,0|1,0,0]=2 114 B11R1.172 CC(=O)NCCC1CCCC1 WXVL_AK00531SB0150 [0,0,0,1,0,0|1,0,0]=2 115 B8R0.7 CC(=O)NCCCCO WXVL_AK0075SB0150 [2,0,0,0,0,0|2,0,0]=4 116 B8R0.7 CC(=O)NCCCCO WXVL_AK0075SB0150 [2,0,0,0,0,0|2,0,0]=4 117 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [2,0,0,0,0,0|1,0,0]=3 118 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [2,0,0,0,0,0|1,0,0]=3 119 B8R0.7 CCSCCNC(=O)C WXVL_AK00494SB0150 [2,0,0,0,0,0|2,0,0]=4 120 B8R0.7 CCSCCNC(=O)C WXVL_AK00494SB0150 [2,0,0,0,0,0|2,0,0]=4 121 B8R0.7 COCCCNC(=O)C WXVL_AK00637SB0150 [2,0,0,0,0,0|2,0,0]=4 122 B8R0.7 COCCCNC(=O)C WXVL_AK00637SB0150 [2,0,0,0,0,0|2,0,0]=4 123 B8R0.7 CSCCCNC(=O)C WXVL_AK0965SB0150 [2,0,0,0,0,0|2,0,0]=4 124 B8R0.7 CSCCCNC(=O)C WXVL_AK0965SB0150 [2,0,0,0,0,0|2,0,0]=4 125 B8R0.7 NC(=O)CCCCCBr WXVL_AK0084SB2192 [2,0,0,0,0,0|2,0,0]=4 126 B8R0.7 NC(=O)CCCCCBr WXVL_AK0084SB2192 [2,0,0,0,0,0|2,0,0]=4 127 B8R0.7 NC(=O)CCCCCO WXVL_AK0084SB2973 [2,0,0,0,0,0|2,0,0]=4 128 B8R0.7 NC(=O)CCCCCO WXVL_AK0084SB2973 [2,0,0,0,0,0|2,0,0]=4 129 B10R0.74 C#CC(=O)NCCCCCC WXVL_AK0286SB0338 [1,1,0,0,0,0|1,0,1]=4 130 B10R0.74 C#CC(=O)NCCCCCC WXVL_AK0286SB0338 [1,1,0,0,0,0|1,0,1]=4 131 B10R0.74 CCC(=O)NCCCCCO WXVL_AK0077SB0064 [1,1,0,0,0,0|2,0,0]=4 132 B10R0.74 CCC(=O)NCCCCCO WXVL_AK0077SB0064 [1,1,0,0,0,0|2,0,0]=4 133 B10R0.74 CCCCC/C=C/C(=O)NC WXVL_AK00442SB3331 [1,1,0,0,0,0|0,0,2]=4 134 B10R0.74 CCCCC/C=C/C(=O)NC WXVL_AK00442SB3331 [1,1,0,0,0,0|0,0,2]=4 135 B10R0.74 CCCCCCCC(=O)NC WXVL_AK00442SB0393 [1,1,0,0,0,0|0,0,0]=2 136 B10R0.74 CCCCCCCC(=O)NC WXVL_AK00442SB0393 [1,1,0,0,0,0|0,0,0]=2 137 B10R0.74 CCCCCCNC(=O)CC WXVL_AK0286SB0064 [1,1,0,0,0,0|1,0,0]=3 138 B10R0.74 CCCCCCNC(=O)CC WXVL_AK0286SB0064 [1,1,0,0,0,0|1,0,0]=3 139 B10R0.74 CCCCCCNC(=O)CO WXVL_AK0286SB2706 [1,1,0,0,0,0|1,0,0]=3 140 B10R0.74 CCCCCCNC(=O)CO WXVL_AK0286SB2706 [1,1,0,0,0,0|1,0,0]=3 141 B10R0.74 CCOCCCNC(=O)CC WXVL_AK0072SB0064 [1,1,0,0,0,0|2,0,0]=4 142 B10R0.74 CCOCCCNC(=O)CC WXVL_AK0072SB0064 [1,1,0,0,0,0|2,0,0]=4 143 B10R0.74 CCOCCCNC(=O)CO WXVL_AK0072SB2706 [1,1,0,0,0,0|2,0,0]=4 144 B10R0.74 CCOCCCNC(=O)CO WXVL_AK0072SB2706 [1,1,0,0,0,0|2,0,0]=4 145 B10R0.74 CNC(=O)CCCCCCBr WXVL_AK00442SB1386 [1,1,0,0,0,0|1,0,0]=3 146 B10R0.74 CNC(=O)CCCCCCBr WXVL_AK00442SB1386 [1,1,0,0,0,0|1,0,0]=3 147 B10R0.74 O=C(CO)NCCCCCO WXVL_AK0077SB2706 [1,1,0,0,0,0|2,0,0]=4 148 B10R0.74 O=C(CO)NCCCCCO WXVL_AK0077SB2706 [1,1,0,0,0,0|2,0,0]=4 149 B10R0.75 CCCCCNC(=O)C(=O)C WXVL_AK0076SB0051 [1,1,0,0,0,0|1,0,1]=4 150 B10R0.75 CCCCCNC(=O)C(=O)C WXVL_AK0076SB0051 [1,1,0,0,0,0|1,0,1]=4 151 B10R0.78 CCCCC(C)CCC(=O)N WXVL_AK0084SB1315 [1,1,0,0,0,0|1,0,0]=3 152 B10R0.78 CCCCC(C)CCC(=O)N WXVL_AK0084SB1315 [1,1,0,0,0,0|1,0,0]=3 153 B10R0.78 CCCNC(=O)CCC(=O)C WXVL_AK00504SB0072 [1,1,0,0,0,0|1,0,1]=4 154 B10R0.78 CCCNC(=O)CCC(=O)C WXVL_AK00504SB0072 [1,1,0,0,0,0|1,0,1]=4 155 B10R0.78 CCCNC(=O)COC(=O)C WXVL_AK00504SB2824 [1,1,0,0,0,0|1,0,1]=4 156 B10R0.78 CCCNC(=O)COC(=O)C WXVL_AK00504SB2824 [1,1,0,0,0,0|1,0,1]=4 157 B10R0.97 CC(=O)NCCCCN(C)C WXVL_AK0097SB0150 [1,1,0,0,0,0|2,0,0]=4 158 B10R0.97 CC(=O)NCCCCN(C)C WXVL_AK0097SB0150 [1,1,0,0,0,0|2,0,0]=4 159 B12R0.4 CCCCCCCC(O)CC(=O)N WXVL_AK0084SB4065 [0,2,0,0,0,0|2,0,0]=4 160 B12R0.4 CCCCCCCC(O)CC(=O)N WXVL_AK0084SB4065 [0,2,0,0,0,0|2,0,0]=4 161 B12R0.44 CC(=O)OCC(=O)NCCC(C)C WXVL_AK0068SB2824 [0,2,0,0,0,0|1,0,1]=4 162 B12R0.44 CC(=O)OCC(=O)NCCC(C)C WXVL_AK0068SB2824 [0,2,0,0,0,0|1,0,1]=4 163 B12R0.184 CCC(=O)NCCCCCN(C)C WXVL_AK0956SB0064 [0,2,0,0,0,0|2,0,0]=4 164 B12R0.184 CCC(=O)NCCCCCN(C)C WXVL_AK0956SB0064 [0,2,0,0,0,0|2,0,0]=4 165 B12R0.184 CN(C)CCCCCNC(=O)CO WXVL_AK0956SB2706 [0,2,0,0,0,0|2,0,0]=4 166 B12R0.184 CN(C)CCCCCNC(=O)CO WXVL_AK0956SB2706 [0,2,0,0,0,0|2,0,0]=4 167 B12R0.184 COC(=O)CCCCCNC(=O)C WXVL_AK00438SB0150 [0,2,0,0,0,0|1,0,1]=4 168 B12R0.184 COC(=O)CCCCCNC(=O)C WXVL_AK00438SB0150 [0,2,0,0,0,0|1,0,1]=4 169 B12R0.1 C#CCC(=O)NCCCCCCO WXVL_AK0751SB3070 [0,2,0,0,0,0|2,0,0]=4 170 B12R0.1 C#CCC(=O)NCCCCCCO WXVL_AK0751SB3070 [0,2,0,0,0,0|2,0,0]=4 171 B12R0.1 C#CCC(=O)NCCOCCCC WXVL_AK9674SB3070 [0,2,0,0,0,0|2,0,0]=4 172 B12R0.1 C#CCC(=O)NCCOCCCC WXVL_AK9674SB3070 [0,2,0,0,0,0|2,0,0]=4 173 B12R0.1 C/C=C/C(=O)NCCCCCCO WXVL_AK0751SB0340 [0,2,0,0,0,0|2,0,0]=4 174 B12R0.1 C/C=C/C(=O)NCCCCCCO WXVL_AK0751SB0340 [0,2,0,0,0,0|2,0,0]=4 175 B12R0.1 C/C=C/C(=O)NCCOCCCC WXVL_AK9674SB0340 [0,2,0,0,0,0|2,0,0]=4 176 B12R0.1 C/C=C/C(=O)NCCOCCCC WXVL_AK9674SB0340 [0,2,0,0,0,0|2,0,0]=4 177 B12R0.1 C=CCC(=O)NCCCCCCO WXVL_AK0751SB2732 [0,2,0,0,0,0|2,0,0]=4 178 B12R0.1 C=CCC(=O)NCCCCCCO WXVL_AK0751SB2732 [0,2,0,0,0,0|2,0,0]=4 179 B12R0.1 C=CCC(=O)NCCOCCCC WXVL_AK9674SB2732 [0,2,0,0,0,0|2,0,0]=4 180 B12R0.1 C=CCC(=O)NCCOCCCC WXVL_AK9674SB2732 [0,2,0,0,0,0|2,0,0]=4 181 B12R0.1 CC#CC(=O)NCCCCCCO WXVL_AK0751SB1240 [0,2,0,0,0,0|2,0,0]=4 182 B12R0.1 CC#CC(=O)NCCCCCCO WXVL_AK0751SB1240 [0,2,0,0,0,0|2,0,0]=4 183 B12R0.1 CC#CC(=O)NCCOCCCC WXVL_AK9674SB1240 [0,2,0,0,0,0|2,0,0]=4 184 B12R0.1 CC#CC(=O)NCCOCCCC WXVL_AK9674SB1240 [0,2,0,0,0,0|2,0,0]=4 185 B12R0.1 CCCC(=O)NCCCCCCO WXVL_AK0751SB0073 [0,2,0,0,0,0|2,0,0]=4 186 B12R0.1 CCCC(=O)NCCCCCCO WXVL_AK0751SB0073 [0,2,0,0,0,0|2,0,0]=4 187 B12R0.1 CCCCCCCCC(=O)NCC WXVL_AK00476SB0409 [0,2,0,0,0,0|1,0,0]=3 188 B12R0.1 CCCCCCCCC(=O)NCC WXVL_AK00476SB0409 [0,2,0,0,0,0|1,0,0]=3 189 B12R0.1 CCCCOCCNC(=O)CC#N WXVL_AK9674SB0057 [0,2,0,0,0,0|2,0,0]=4 190 B12R0.1 CCCCOCCNC(=O)CC#N WXVL_AK9674SB0057 [0,2,0,0,0,0|2,0,0]=4 191 B12R0.1 CCCCOCCNC(=O)CCC WXVL_AK9674SB0073 [0,2,0,0,0,0|2,0,0]=4 192 B12R0.1 CCCCOCCNC(=O)CCC WXVL_AK9674SB0073 [0,2,0,0,0,0|2,0,0]=4 193 B12R0.1 CCCCOCCNC(=O)COC WXVL_AK9674SB0090 [0,2,0,0,0,0|2,0,0]=4 194 B12R0.1 CCCCOCCNC(=O)COC WXVL_AK9674SB0090 [0,2,0,0,0,0|2,0,0]=4 195 B12R0.1 CCCCOCCNC(=O)CSC WXVL_AK9674SB1267 [0,2,0,0,0,0|2,0,0]=4 196 B12R0.1 CCCCOCCNC(=O)CSC WXVL_AK9674SB1267 [0,2,0,0,0,0|2,0,0]=4 197 B12R0.1 CCNC(=O)CCCCCCCBr WXVL_AK00476SB0559 [0,2,0,0,0,0|2,0,0]=4 198 B12R0.1 CCNC(=O)CCCCCCCBr WXVL_AK00476SB0559 [0,2,0,0,0,0|2,0,0]=4 199 B12R0.1 CCNC(=O)CCCCCCCO WXVL_AK00476SB1306 [0,2,0,0,0,0|2,0,0]=4 200 B12R0.1 CCNC(=O)CCCCCCCO WXVL_AK00476SB1306 [0,2,0,0,0,0|2,0,0]=4 201 B12R0.1 COCC(=O)NCCCCCCO WXVL_AK0751SB0090 [0,2,0,0,0,0|2,0,0]=4 202 B12R0.1 COCC(=O)NCCCCCCO WXVL_AK0751SB0090 [0,2,0,0,0,0|2,0,0]=4 203 B12R0.1 CSCC(=O)NCCCCCCO WXVL_AK0751SB1267 [0,2,0,0,0,0|2,0,0]=4 204 B12R0.1 CSCC(=O)NCCCCCCO WXVL_AK0751SB1267 [0,2,0,0,0,0|2,0,0]=4 205 B12R0.1 N#CCC(=O)NCCCCCCO WXVL_AK0751SB0057 [0,2,0,0,0,0|2,0,0]=4 206 B12R0.1 N#CCC(=O)NCCCCCCO WXVL_AK0751SB0057 [0,2,0,0,0,0|2,0,0]=4 207 B12R0.49 CCCCCCNC(=O)C(=O)CC WXVL_AK0286SB0344 [0,2,0,0,0,0|2,0,0]=4 208 B12R0.49 CCCCCCNC(=O)C(=O)CC WXVL_AK0286SB0344 [0,2,0,0,0,0|2,0,0]=4 209 B12R0.248 C#CC(=O)NCCCCCCCC WXVL_AK1818SB0338 [0,2,0,0,0,0|1,0,1]=4 210 B12R0.248 C#CC(=O)NCCCCCCCC WXVL_AK1818SB0338 [0,2,0,0,0,0|1,0,1]=4 211 B12R0.248 C#CC(=O)NCCCOCCCC WXVL_AK2310SB0338 [0,2,0,0,0,0|1,0,1]=4 212 B12R0.248 C#CC(=O)NCCCOCCCC WXVL_AK2310SB0338 [0,2,0,0,0,0|1,0,1]=4 213 B12R0.248 CCCCCCCCCC(=O)NC WXVL_AK00442SB0447 [0,2,0,0,0,0|1,0,0]=3 214 B12R0.248 CCCCCCCCCC(=O)NC WXVL_AK00442SB0447 [0,2,0,0,0,0|1,0,0]=3 215 B12R0.248 CCCCCCCCNC(=O)CC WXVL_AK1818SB0064 [0,2,0,0,0,0|1,0,0]=3 216 B12R0.248 CCCCCCCCNC(=O)CC WXVL_AK1818SB0064 [0,2,0,0,0,0|1,0,0]=3 217 B12R0.248 CCCCCCCCNC(=O)CO WXVL_AK1818SB2706 [0,2,0,0,0,0|1,0,0]=3 218 B12R0.248 CCCCCCCCNC(=O)CO WXVL_AK1818SB2706 [0,2,0,0,0,0|1,0,0]=3 219 B12R0.248 CCCCCCCCNC(=O)NC WXVL_AK00442YV0182 [0,2,0,0,0,0|1,0,0]=3 220 B12R0.248 CCCCCCCCNC(=O)NC WXVL_AK00442YV0182 [0,2,0,0,0,0|1,0,0]=3 221 B12R0.248 CCCCOCCCNC(=O)CC WXVL_AK2310SB0064 [0,2,0,0,0,0|1,0,0]=3 222 B12R0.248 CCCCOCCCNC(=O)CC WXVL_AK2310SB0064 [0,2,0,0,0,0|1,0,0]=3 223 B12R0.248 CCCCOCCCNC(=O)CO WXVL_AK2310SB2706 [0,2,0,0,0,0|1,0,0]=3 224 B12R0.248 CCCCOCCCNC(=O)CO WXVL_AK2310SB2706 [0,2,0,0,0,0|1,0,0]=3 225 B12R0.251 CC(=O)C(=O)NCCCCCCO WXVL_AK0751SB0051 [0,2,0,0,0,0|2,0,0]=4 226 B12R0.251 CC(=O)C(=O)NCCCCCCO WXVL_AK0751SB0051 [0,2,0,0,0,0|2,0,0]=4 227 B12R0.251 CC(C)C(=O)NCCCCCCO WXVL_AK0751SB0052 [0,2,0,0,0,0|2,0,0]=4 228 B12R0.251 CC(C)C(=O)NCCCCCCO WXVL_AK0751SB0052 [0,2,0,0,0,0|2,0,0]=4 229 B12R0.251 CC(S)C(=O)NCCCCCCO WXVL_AK0751SB2708 [0,2,0,0,0,0|2,0,0]=4 230 B12R0.251 CC(S)C(=O)NCCCCCCO WXVL_AK0751SB2708 [0,2,0,0,0,0|2,0,0]=4 231 B12R0.251 CCCCCCCCC(=O)N(C)C WXVL_AN0032SB0409 [0,2,0,0,0,0|1,0,0]=3 232 B12R0.251 CCCCCCCCC(=O)N(C)C WXVL_AN0032SB0409 [0,2,0,0,0,0|1,0,0]=3 233 B12R0.251 CCCCOCCNC(=O)C(=O)C WXVL_AK9674SB0051 [0,2,0,0,0,0|2,0,0]=4 234 B12R0.251 CCCCOCCNC(=O)C(=O)C WXVL_AK9674SB0051 [0,2,0,0,0,0|2,0,0]=4 235 B12R0.251 CCCCOCCNC(=O)C(C)C WXVL_AK9674SB0052 [0,2,0,0,0,0|2,0,0]=4 236 B12R0.251 CCCCOCCNC(=O)C(C)C WXVL_AK9674SB0052 [0,2,0,0,0,0|2,0,0]=4 237 B12R0.251 CCCCOCCNC(=O)C(C)S WXVL_AK9674SB2708 [0,2,0,0,0,0|2,0,0]=4 238 B12R0.251 CCCCOCCNC(=O)C(C)S WXVL_AK9674SB2708 [0,2,0,0,0,0|2,0,0]=4 239 B12R0.251 CCCCOCCNC(=O)C(F)F WXVL_AK9674SB0079 [0,2,0,0,0,0|2,0,0]=4 240 B12R0.251 CCCCOCCNC(=O)C(F)F WXVL_AK9674SB0079 [0,2,0,0,0,0|2,0,0]=4 241 B12R0.251 CCCCOCCNC(=O)[C@@H](C)O WXVL_AK9674SB1085 [0,2,0,0,0,0|2,0,0]=4 242 B12R0.251 CCCCOCCNC(=O)[C@@H](C)O WXVL_AK9674SB1085 [0,2,0,0,0,0|2,0,0]=4 243 B12R0.251 CN(C)C(=O)CCCCCCCBr WXVL_AN0032SB0559 [0,2,0,0,0,0|2,0,0]=4 244 B12R0.251 CN(C)C(=O)CCCCCCCBr WXVL_AN0032SB0559 [0,2,0,0,0,0|2,0,0]=4 245 B12R0.251 CN(C)C(=O)CCCCCCCO WXVL_AN0032SB1306 [0,2,0,0,0,0|2,0,0]=4 246 B12R0.251 CN(C)C(=O)CCCCCCCO WXVL_AN0032SB1306 [0,2,0,0,0,0|2,0,0]=4 247 B12R0.251 C[C@@H](O)C(=O)NCCCCCCO WXVL_AK0751SB1085 [0,2,0,0,0,0|2,0,0]=4 248 B12R0.251 C[C@@H](O)C(=O)NCCCCCCO WXVL_AK0751SB1085 [0,2,0,0,0,0|2,0,0]=4 249 B12R0.251 O=C(NCCCCCCO)C(F)F WXVL_AK0751SB0079 [0,2,0,0,0,0|2,0,0]=4 250 B12R0.251 O=C(NCCCCCCO)C(F)F WXVL_AK0751SB0079 [0,2,0,0,0,0|2,0,0]=4 251 B12R0.312 CCCCCCCCS(=O)(=O)NC WXVL_AK00442HU0331 [0,2,0,0,0,0|2,0,0]=4 252 B12R0.312 CCCCCCCCS(=O)(=O)NC WXVL_AK00442HU0331 [0,2,0,0,0,0|2,0,0]=4 253 B12R0.255 CC(=O)OCC(=O)NCCCCO WXVL_AK0075SB2824 [0,2,0,0,0,0|1,0,1]=4 254 B12R0.255 CC(=O)OCC(=O)NCCCCO WXVL_AK0075SB2824 [0,2,0,0,0,0|1,0,1]=4 255 B12R0.255 CCCCCNC(=O)CCC(=O)C WXVL_AK0076SB0072 [0,2,0,0,0,0|1,0,1]=4 256 B12R0.255 CCCCCNC(=O)CCC(=O)C WXVL_AK0076SB0072 [0,2,0,0,0,0|1,0,1]=4 257 B12R0.255 CCCCCNC(=O)CNC(=O)C WXVL_AK0076SB0357 [0,2,0,0,0,0|1,0,1]=4 258 B12R0.255 CCCCCNC(=O)CNC(=O)C WXVL_AK0076SB0357 [0,2,0,0,0,0|1,0,1]=4 259 B12R0.255 CCCCCNC(=O)COC(=O)C WXVL_AK0076SB2824 [0,2,0,0,0,0|0,0,1]=3 260 B12R0.255 CCCCCNC(=O)COC(=O)C WXVL_AK0076SB2824 [0,2,0,0,0,0|0,0,1]=3 261 B12R0.255 CCCCCNC(=O)CSC(=O)C WXVL_AK0076SB3992 [0,2,0,0,0,0|0,1,1]=4 262 B12R0.255 CCCCCNC(=O)CSC(=O)C WXVL_AK0076SB3992 [0,2,0,0,0,0|0,1,1]=4 263 B12R0.255 CCSCCNC(=O)COC(=O)C WXVL_AK00494SB2824 [0,2,0,0,0,0|1,0,1]=4 264 B12R0.255 CCSCCNC(=O)COC(=O)C WXVL_AK00494SB2824 [0,2,0,0,0,0|1,0,1]=4 265 B12R0.255 COCCCNC(=O)COC(=O)C WXVL_AK00637SB2824 [0,2,0,0,0,0|1,0,1]=4 266 B12R0.255 COCCCNC(=O)COC(=O)C WXVL_AK00637SB2824 [0,2,0,0,0,0|1,0,1]=4 267 B12R0.255 CSCCCNC(=O)COC(=O)C WXVL_AK0965SB2824 [0,2,0,0,0,0|1,0,1]=4 268 B12R0.255 CSCCCNC(=O)COC(=O)C WXVL_AK0965SB2824 [0,2,0,0,0,0|1,0,1]=4 269 B12R0.283 CCC[C@H](C)NC(=O)COC(=O)C WXVL_AK00682SB2824 [0,2,0,0,0,0|1,0,1]=4 270 B12R0.283 CCC[C@H](C)NC(=O)COC(=O)C WXVL_AK00682SB2824 [0,2,0,0,0,0|1,0,1]=4 271 B12R0.35 CCN(CC)CCCCNC(=O)C WXVL_AK0925SB0150 [0,2,0,0,0,0|2,0,0]=4 272 B12R0.35 CCN(CC)CCCCNC(=O)C WXVL_AK0925SB0150 [0,2,0,0,0,0|2,0,0]=4 273 B12R0.233 CCCCNC(=O)CCNC(=O)C WXVL_AK00588SB0374 [0,2,0,0,0,0|1,0,1]=4 274 B12R0.233 CCCCNC(=O)CCNC(=O)C WXVL_AK00588SB0374 [0,2,0,0,0,0|1,0,1]=4 275 B12R0.234 C=CCCCCCCCCC(=O)N WXVL_AK0084SB0481 [0,2,0,0,0,0|2,0,0]=4 276 B12R0.234 C=CCCCCCCCCC(=O)N WXVL_AK0084SB0481 [0,2,0,0,0,0|2,0,0]=4 277 B12R0.234 CC(=O)NCCCCCCCCO WXVL_AK4142SB0150 [0,2,0,0,0,0|1,0,0]=3 278 B12R0.234 CC(=O)NCCCCCCCCO WXVL_AK4142SB0150 [0,2,0,0,0,0|1,0,0]=3 279 B12R0.234 CC(=O)NCCOCCOCCO WXVL_AK1950SB0150 [0,2,0,0,0,0|2,0,0]=4 280 B12R0.234 CC(=O)NCCOCCOCCO WXVL_AK1950SB0150 [0,2,0,0,0,0|2,0,0]=4 281 B12R0.234 CCCCCCCCCCC(=O)N WXVL_AK0084SB0490 [0,2,0,0,0,0|2,0,0]=4 282 B12R0.234 CCCCCCCCCCC(=O)N WXVL_AK0084SB0490 [0,2,0,0,0,0|2,0,0]=4 283 B12R0.234 CCCCCCCCCNC(=O)C WXVL_AK1826SB0150 [0,2,0,0,0,0|1,0,0]=3 284 B12R0.234 CCCCCCCCCNC(=O)C WXVL_AK1826SB0150 [0,2,0,0,0,0|1,0,0]=3 285 B12R0.268 CC(=O)NCCCCCNC(=O)C WXVL_AK4207SB0150 [0,2,0,0,0,0|1,0,1]=4 286 B12R0.268 CC(=O)NCCCCCNC(=O)C WXVL_AK4207SB0150 [0,2,0,0,0,0|1,0,1]=4 287 B10R1.18 CC(=O)NC1CCCCC1 WXVL_AK00480SB0150 [1,0,0,1,0,0|1,0,0]=3 288 B10R1.18 CC(=O)NC1CCCCC1 WXVL_AK00480SB0150 [1,0,0,1,0,0|1,0,0]=3 289 B10R1.18 CC(=O)NC1CCCOC1 WXVL_AK1073SB0150 [1,0,0,1,0,0|2,0,0]=4 290 B10R1.18 CC(=O)NC1CCCOC1 WXVL_AK1073SB0150 [1,0,0,1,0,0|2,0,0]=4 291 B10R1.18 NC(=O)CC1CCCCO1 WXVL_AK0084SB1464 [1,0,0,1,0,0|2,0,0]=4 292 B10R1.18 NC(=O)CC1CCCCO1 WXVL_AK0084SB1464 [1,0,0,1,0,0|2,0,0]=4 293 B10R1.18 NC(=O)CC1CCOCC1 WXVL_AK0084SB0194 [1,0,0,1,0,0|2,0,0]=4 294 B10R1.18 NC(=O)CC1CCOCC1 WXVL_AK0084SB0194 [1,0,0,1,0,0|2,0,0]=4 295 B10R1.18 NC(=O)CN1CCCCC1 WXVL_AK0084SB0186 [1,0,0,1,0,0|2,0,0]=4 296 B10R1.18 NC(=O)CN1CCCCC1 WXVL_AK0084SB0186 [1,0,0,1,0,0|2,0,0]=4 297 B10R1.39 CC(=O)N1CCC[C@H]1CO WXVL_AN0917SB0150 [1,0,0,1,0,0|2,0,0]=4 298 B10R1.61 CC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0150 [1,0,0,1,0,0|1,0,0]=3 299 B10R1.61 CC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0150 [1,0,0,1,0,0|2,0,0]=4 300 B10R1.61 CC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0150 [1,0,0,1,0,0|2,0,0]=4 301 B10R1.61 CC(=O)N1CCOC[C@H]1C WXVL_AN00562SB0150 [1,0,0,1,0,0|2,0,0]=4 302 B10R1.61 CN1CCCC[C@@H]1C(=O)N WXVL_AK0084SB4055 [1,0,0,1,0,0|2,0,0]=4 303 B10R1.61 CN1CCCC[C@@H]1C(=O)N WXVL_AK0084SB4055 [1,0,0,1,0,0|2,0,0]=4 304 B10R1.66 CC(=O)NCC1CCCC1 WXVL_AK0303SB0150 [1,0,0,1,0,0|1,0,0]=3 305 B10R1.66 CC(=O)NCC1CCCC1 WXVL_AK0303SB0150 [1,0,0,1,0,0|1,0,0]=3 306 B10R1.66 CC(=O)NCC1CCOC1 WXVL_AK00634SB0150 [1,0,0,1,0,0|2,0,0]=4 307 B10R1.66 CC(=O)NCC1CCOC1 WXVL_AK00634SB0150 [1,0,0,1,0,0|2,0,0]=4 308 B10R1.66 CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0150 [1,0,0,1,0,0|2,0,0]=4 309 B10R1.66 CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0150 [1,0,0,1,0,0|2,0,0]=4 310 B10R1.66 CC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0150 [1,0,0,1,0,0|2,0,0]=4 311 B10R1.66 CC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0150 [1,0,0,1,0,0|2,0,0]=4 312 B10R1.66 NC(=O)CCC1CCCC1 WXVL_AK0084SB0045 [1,0,0,1,0,0|1,0,0]=3 313 B10R1.66 NC(=O)CCC1CCCC1 WXVL_AK0084SB0045 [1,0,0,1,0,0|1,0,0]=3 314 B10R1.66 NC(=O)CCN1CCCC1 WXVL_AK0084SB0766 [1,0,0,1,0,0|2,0,0]=4 315 B10R1.66 NC(=O)CCN1CCCC1 WXVL_AK0084SB0766 [1,0,0,1,0,0|2,0,0]=4 316 B10R1.66 NC(=O)COC1CCCC1 WXVL_AK0084SB0754 [1,0,0,1,0,0|2,0,0]=4 317 B10R1.66 NC(=O)COC1CCCC1 WXVL_AK0084SB0754 [1,0,0,1,0,0|2,0,0]=4 318 B10R1.127 CC(=O)NCCC1CCC1 WXVL_AK2418SB0150 [1,0,0,1,0,0|1,0,0]=3 319 B10R1.127 CC(=O)NCCC1CCC1 WXVL_AK2418SB0150 [1,0,0,1,0,0|1,0,0]=3 320 B10R1.348 CC(=O)N1CCCOCC1 WXVL_AN00350SB0150 [1,0,0,1,0,0|2,0,0]=4 321 B10R1.348 CC(=O)N1CCCOCC1 WXVL_AN00350SB0150 [1,0,0,1,0,0|2,0,0]=4 322 B10R1.348 NC(=O)C1CCCCCC1 WXVL_AK0084SB0385 [1,0,0,1,0,0|1,0,0]=3 323 B10R1.348 NC(=O)C1CCCCCC1 WXVL_AK0084SB0385 [1,0,0,1,0,0|1,0,0]=3 324 B12R1.107 CC(=O)NC(C)C1CCOCC1 WXVL_AK00126SB0150 [0,1,0,1,0,0|2,0,0]=4 325 B12R1.107 CC(=O)NC(C)C1CCOCC1 WXVL_AK00126SB0150 [0,1,0,1,0,0|2,0,0]=4 326 B12R1.261 CC(=O)N1CCOCC1C(C)C WXVL_AN3528SB0150 [0,1,0,1,0,0|2,0,0]=4 327 B12R1.261 CC(=O)N1CCOC[C@@H]1C(C)C WXVL_AN00822SB0150 [0,1,0,1,0,0|2,0,0]=4 328 B12R1.391 CC(=O)NC1CCCCC1(F)F WXVL_AK00054SB0150 [0,1,0,1,0,0|2,0,0]=4 329 B12R1.391 CC(=O)NC1CCCCC1(F)F WXVL_AK00054SB0150 [0,1,0,1,0,0|2,0,0]=4 330 B12R1.27 CCC(=O)NCC1CCCCO1 WXVL_AK1232SB0064 [0,1,0,1,0,0|2,0,0]=4 331 B12R1.27 CCC(=O)NCC1CCCCO1 WXVL_AK1232SB0064 [0,1,0,1,0,0|2,0,0]=4 332 B12R1.27 CCC(=O)NCC1CCCOC1 WXVL_AK00150SB0064 [0,1,0,1,0,0|2,0,0]=4 333 B12R1.27 CCC(=O)NCC1CCCOC1 WXVL_AK00150SB0064 [0,1,0,1,0,0|2,0,0]=4 334 B12R1.27 CCC(=O)NCC1CCOCC1 WXVL_AK0150SB0064 [0,1,0,1,0,0|2,0,0]=4 335 B12R1.27 CCC(=O)NCC1CCOCC1 WXVL_AK0150SB0064 [0,1,0,1,0,0|2,0,0]=4 336 B12R1.27 CCC(=O)NCC1CCSCC1 WXVL_AK00654SB0064 [0,1,0,1,0,0|2,0,0]=4 337 B12R1.27 CCC(=O)NCC1CCSCC1 WXVL_AK00654SB0064 [0,1,0,1,0,0|2,0,0]=4 338 B12R1.27 CNC(=O)/C=C/C1CCCCC1 WXVL_AK00442SB5384 [0,1,0,1,0,0|1,0,1]=4 339 B12R1.27 CNC(=O)/C=C/C1CCCCC1 WXVL_AK00442SB5384 [0,1,0,1,0,0|1,0,1]=4 340 B12R1.27 CNC(=O)CCC1CCCCC1 WXVL_AK00442SB0049 [0,1,0,1,0,0|1,0,0]=3 341 B12R1.27 CNC(=O)CCC1CCCCC1 WXVL_AK00442SB0049 [0,1,0,1,0,0|1,0,0]=3 342 B12R1.27 CNC(=O)CCN1CCCCC1 WXVL_AK00442SB0127 [0,1,0,1,0,0|2,0,0]=4 343 B12R1.27 CNC(=O)CCN1CCCCC1 WXVL_AK00442SB0127 [0,1,0,1,0,0|2,0,0]=4 344 B12R1.27 CNC(=O)COC1CCCCC1 WXVL_AK00442SB3400 [0,1,0,1,0,0|2,0,0]=4 345 B12R1.27 CNC(=O)COC1CCCCC1 WXVL_AK00442SB3400 [0,1,0,1,0,0|2,0,0]=4 346 B12R1.27 O=C(CO)NCC1CCCCO1 WXVL_AK1232SB2706 [0,1,0,1,0,0|2,0,0]=4 347 B12R1.27 O=C(CO)NCC1CCCCO1 WXVL_AK1232SB2706 [0,1,0,1,0,0|2,0,0]=4 348 B12R1.27 O=C(CO)NCC1CCCOC1 WXVL_AK00150SB2706 [0,1,0,1,0,0|2,0,0]=4 349 B12R1.27 O=C(CO)NCC1CCCOC1 WXVL_AK00150SB2706 [0,1,0,1,0,0|2,0,0]=4 350 B12R1.27 O=C(CO)NCC1CCOCC1 WXVL_AK0150SB2706 [0,1,0,1,0,0|2,0,0]=4 351 B12R1.27 O=C(CO)NCC1CCOCC1 WXVL_AK0150SB2706 [0,1,0,1,0,0|2,0,0]=4 352 B12R1.27 O=C(CO)NCC1CCSCC1 WXVL_AK00654SB2706 [0,1,0,1,0,0|2,0,0]=4 353 B12R1.27 O=C(CO)NCC1CCSCC1 WXVL_AK00654SB2706 [0,1,0,1,0,0|2,0,0]=4 354 B12R1.77 CCC(=O)N1CCCCC1CO WXVL_AN0018SB0064 [0,1,0,1,0,0|2,0,0]=4 355 B12R1.77 CCC(=O)N1CCCCC1CO WXVL_AN0018SB0064 [0,1,0,1,0,0|2,0,0]=4 356 B12R1.77 O=C(CO)N1CCCCC1CO WXVL_AN0018SB2706 [0,1,0,1,0,0|2,0,0]=4 357 B12R1.77 O=C(CO)N1CCCCC1CO WXVL_AN0018SB2706 [0,1,0,1,0,0|2,0,0]=4 358 B12R1.353 CCC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0064 [0,1,0,1,0,0|2,0,0]=4 359 B12R1.353 CCC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0064 [0,1,0,1,0,0|2,0,0]=4 360 B12R1.353 CN1CCC[C@H]1CNC(=O)CO WXVL_AK00784SB2706 [0,1,0,1,0,0|2,0,0]=4 361 B12R1.353 CN1CCC[C@H]1CNC(=O)CO WXVL_AK00784SB2706 [0,1,0,1,0,0|2,0,0]=4 362 B12R1.477 C#CC(=O)NCCC1CCCC1 WXVL_AK00531SB0338 [0,1,0,1,0,0|1,0,1]=4 363 B12R1.477 C#CC(=O)NCCC1CCCC1 WXVL_AK00531SB0338 [0,1,0,1,0,0|1,0,1]=4 364 B12R1.477 CCC(=O)NCCC1CCCC1 WXVL_AK00531SB0064 [0,1,0,1,0,0|1,0,0]=3 365 B12R1.477 CCC(=O)NCCC1CCCC1 WXVL_AK00531SB0064 [0,1,0,1,0,0|1,0,0]=3 366 B12R1.477 O=C(CO)NCCC1CCCC1 WXVL_AK00531SB2706 [0,1,0,1,0,0|1,0,0]=3 367 B12R1.477 O=C(CO)NCCC1CCCC1 WXVL_AK00531SB2706 [0,1,0,1,0,0|1,0,0]=3 368 B12R1.43 CC(=O)C(=O)NC1CCCCC1 WXVL_AK00480SB0051 [0,1,0,1,0,0|2,0,0]=4 369 B12R1.43 CC(=O)C(=O)NC1CCCCC1 WXVL_AK00480SB0051 [0,1,0,1,0,0|2,0,0]=4 370 B12R1.43 CC(=O)N(C)CC1CCNCC1 WXVL_AN5436SB0150 [0,1,0,1,0,0|2,0,0]=4 371 B12R1.124 CC(=O)C(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0051 [0,1,0,1,0,0|2,0,0]=4 372 B12R1.264 CC(=O)C(=O)NCC1CCCC1 WXVL_AK0303SB0051 [0,1,0,1,0,0|2,0,0]=4 373 B12R1.264 CC(=O)C(=O)NCC1CCCC1 WXVL_AK0303SB0051 [0,1,0,1,0,0|2,0,0]=4 374 B12R1.279 CC(=O)N1CCCC(C1)CCO WXVL_AN00232SB0150 [0,1,0,1,0,0|2,0,0]=4 375 B12R1.279 CC(=O)N1CCCC(C1)CCO WXVL_AN00232SB0150 [0,1,0,1,0,0|2,0,0]=4 376 B12R1.1396 CC(=O)C(=O)NCCC1CCC1 WXVL_AK2418SB0051 [0,1,0,1,0,0|2,0,0]=4 377 B12R1.1396 CC(=O)C(=O)NCCC1CCC1 WXVL_AK2418SB0051 [0,1,0,1,0,0|2,0,0]=4 378 B12R1.54 CC(=O)OCC(=O)N1CCCC1 WXVL_AN0008SB2824 [0,1,0,1,0,0|1,0,1]=4 379 B12R1.54 CC(=O)OCC(=O)N1CCCC1 WXVL_AN0008SB2824 [0,1,0,1,0,0|1,0,1]=4 380 B12R1.3110 CC(=O)NCC1(CCCCC1)O WXVL_AK00611SB0150 [0,1,0,1,0,0|1,0,0]=3 381 B12R1.3110 CC(=O)NCC1(CCCCC1)O WXVL_AK00611SB0150 [0,1,0,1,0,0|1,0,0]=3 382 B12R1.3110 CC(=O)NCC1(CCOCC1)C WXVL_AK2349SB0150 [0,1,0,1,0,0|2,0,0]=4 383 B12R1.3110 CC(=O)NCC1(CCOCC1)C WXVL_AK2349SB0150 [0,1,0,1,0,0|2,0,0]=4 384 B12R1.3110 CC(=O)NCC1(CCOCC1)O WXVL_AK00186SB0150 [0,1,0,1,0,0|2,0,0]=4 385 B12R1.3110 CC(=O)NCC1(CCOCC1)O WXVL_AK00186SB0150 [0,1,0,1,0,0|2,0,0]=4 386 B12R1.21 CC(=O)NCC1CCN(CC1)C WXVL_AK0402SB0150 [0,1,0,1,0,0|2,0,0]=4 387 B12R1.21 CC(=O)NCC1CCN(CC1)C WXVL_AK0402SB0150 [0,1,0,1,0,0|2,0,0]=4 388 B12R1.21 CC(=O)NC[C@H]1CC[C@@H](CC1)O WXVL_AK5708SB0150 [0,1,0,1,0,0|1,0,0]=3 389 B12R1.21 CC(=O)NC[C@H]1CC[C@@H](CC1)O WXVL_AK5708SB0150 [0,1,0,1,0,0|1,0,0]=3 390 B12R1.252 CC(=O)NCCC1CCCCC1 WXVL_AK1287SB0150 [0,1,0,1,0,0|1,0,0]=3 391 B12R1.252 CC(=O)NCCC1CCCCC1 WXVL_AK1287SB0150 [0,1,0,1,0,0|1,0,0]=3 392 B12R1.252 CC(=O)NCCC1CCOCC1 WXVL_AK0294SB0150 [0,1,0,1,0,0|1,0,0]=3 393 B12R1.252 CC(=O)NCCC1CCOCC1 WXVL_AK0294SB0150 [0,1,0,1,0,0|1,0,0]=3 394 B12R1.252 CC(=O)NCCN1CCCCC1 WXVL_AK0023SB0150 [0,1,0,1,0,0|1,0,0]=3 395 B12R1.252 CC(=O)NCCN1CCCCC1 WXVL_AK0023SB0150 [0,1,0,1,0,0|1,0,0]=3 396 B12R1.252 CC(=O)NCCN1CCOCC1 WXVL_AK0016SB0150 [0,1,0,1,0,0|2,0,0]=4 397 B12R1.252 CC(=O)NCCN1CCOCC1 WXVL_AK0016SB0150 [0,1,0,1,0,0|2,0,0]=4 398 B12R1.130 CC(=O)NCCC1CCCN1C WXVL_AK2343SB0150 [0,1,0,1,0,0|1,0,0]=3 399 B12R1.130 CC(=O)NCCC1CCCN1C WXVL_AK2343SB0150 [0,1,0,1,0,0|1,0,0]=3 400 B12R1.255 CC(=O)NCCCN1CCCC1 WXVL_AK0085SB0150 [0,1,0,1,0,0|1,0,0]=3 401 B12R1.255 CC(=O)NCCCN1CCCC1 WXVL_AK0085SB0150 [0,1,0,1,0,0|1,0,0]=3 402 B12R1.255 CC(=O)NCCOC1CCCC1 WXVL_AK3996SB0150 [0,1,0,1,0,0|1,0,0]=3 403 B12R1.255 CC(=O)NCCOC1CCCC1 WXVL_AK3996SB0150 [0,1,0,1,0,0|1,0,0]=3 404 B12R1.283 CC(=O)N1CCCCC1CCO WXVL_AN2918SB0150 [0,1,0,1,0,0|1,0,0]=3 405 B12R1.283 CC(=O)N1CCCC[C@@H]1CCO WXVL_AN00657SB0150 [0,1,0,1,0,0|1,0,0]=3 406 B12R1.283 COCC1CCCCN1C(=O)C WXVL_AN0507SB0150 [0,1,0,1,0,0|1,0,0]=3 407 B12R1.283 COCC1CCCCN1C(=O)C WXVL_AN0507SB0150 [0,1,0,1,0,0|1,0,0]=3 408 B12R1.283 COC[C@H]1COCCN1C(=O)C WXVL_AN00791SB0150 [0,1,0,1,0,0|2,0,0]=4 409 B12R1.386 CCCCC1CCCN1C(=O)C WXVL_AN00739SB0150 [0,1,0,1,0,0|1,0,0]=3 410 B12R1.17 CCCC(=O)N1CCOC(=O)C1 WXVL_AN4960SB0073 [0,1,0,1,0,0|1,0,1]=4 411 B12R1.31 CCCC(=O)N[C@@H]1COC(=O)C1 WXVL_AK00458SB0073 [0,1,0,1,0,0|1,0,1]=4 412 B12R1.31 CCCC(=O)N[C@@H]1COC(=O)C1 WXVL_AK00458SB0073 [0,1,0,1,0,0|1,0,1]=4 413 B12R2.1365 CC(=O)N1C2CCC1COC2 WXVL_AN00515SB0150 [0,0,0,2,0,0|2,0,0]=4 414 B12R2.1365 CC(=O)N1C2CCC1COC2 WXVL_AN00515SB0150 [0,0,0,2,0,0|2,0,0]=4 415 B12R2.1392 CC(=O)N1CC2CCC1CC2 WXVL_AN3285SB0150 [0,0,0,2,0,0|1,0,0]=3 416 B12R2.1392 CC(=O)N1CC2CCC1CC2 WXVL_AN3285SB0150 [0,0,0,2,0,0|1,0,0]=3 417 B12R2.1392 CC(=O)N1CC2CCC1CO2 WXVL_AN00597SB0150 [0,0,0,2,0,0|2,0,0]=4 418 B12R2.1661 NC(=O)CC1C[C@@H]2CC[C@H]1C2 WXVL_AK0084SB0403 [0,0,0,2,0,0|2,0,0]=4 419 B12R2.1661 NC(=O)CC1C[C@@H]2CC[C@H]1C2 WXVL_AK0084SB0403 [0,0,0,2,0,0|2,0,0]=4 420 B12R2.252 CC(=O)N1CC2CCCC2C1 WXVL_AN0179SB0150 [0,0,0,2,0,0|1,0,0]=3 421 B12R2.252 CC(=O)N1CC2CCCC2C1 WXVL_AN0179SB0150 [0,0,0,2,0,0|1,0,0]=3 422 B12R2.252 CC(=O)N1CC2COCC2C1 WXVL_AN0908SB0150 [0,0,0,2,0,0|2,0,0]=4 423 B12R2.252 CC(=O)N1C[C@H]2COC[C@H]2C1 WXVL_AN00205SB0150 [0,0,0,2,0,0|2,0,0]=4 424 B12R2.252 CC(=O)N1C[C@H]2COC[C@H]2C1 WXVL_AN00205SB0150 [0,0,0,2,0,0|2,0,0]=4 425 B12R2.1017 CC(=O)N1C[C@@H]2C[C@H]1CN2C WXVL_AN00538SB0150 [0,0,0,2,0,0|2,0,0]=4 426 B12R2.1017 CC(=O)N1C[C@H]2C[C@@H]1CN2C WXVL_AN00645SB0150 [0,0,0,2,0,0|2,0,0]=4