0 B8R0.6 C#CC(=O)NCCCC WXVL_AK00588SB0338 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.6 C#CC(=O)NCCCC WXVL_AK00588SB0338 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.6 C/C=C/C=C/C(=O)NC WXVL_AK00442SB0348 [0,0,0,0,0,0|1,0,2]=3 3 B8R0.6 C/C=C/C=C/C(=O)NC WXVL_AK00442SB0348 [0,0,0,0,0,0|1,0,2]=3 4 B8R0.6 CC/C=C/CC(=O)NC WXVL_AK00442SB0349 [0,0,0,0,0,0|1,0,2]=3 5 B8R0.6 CC/C=C/CC(=O)NC WXVL_AK00442SB0349 [0,0,0,0,0,0|1,0,2]=3 6 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [0,0,0,0,0,0|3,0,1]=4 9 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [0,0,0,0,0,0|3,0,1]=4 10 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [0,0,0,0,0,0|2,0,1]=3 11 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [0,0,0,0,0,0|2,0,1]=3 12 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [0,0,0,0,0,0|3,0,1]=4 13 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [0,0,0,0,0,0|3,0,1]=4 14 B8R0.6 CCO/C=C/C(=O)NC WXVL_AK00442SB3226 [0,0,0,0,0,0|2,0,0]=2 15 B8R0.6 CCO/C=C/C(=O)NC WXVL_AK00442SB3226 [0,0,0,0,0,0|2,0,0]=2 16 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [0,0,0,0,0,0|2,0,2]=4 17 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [0,0,0,0,0,0|2,0,2]=4 18 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [0,0,0,0,0,0|2,0,2]=4 19 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [0,0,0,0,0,0|2,0,2]=4 20 B8R0.6 CNC(=O)NCCCCl WXVL_AK00442YV0130 [0,0,0,0,0,0|3,0,1]=4 21 B8R0.6 CNC(=O)NCCCCl WXVL_AK00442YV0130 [0,0,0,0,0,0|3,0,1]=4 22 B7R0.3 C#CC(=O)NCCC WXVL_AK00504SB0338 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.3 C#CC(=O)NCCC WXVL_AK00504SB0338 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [1,0,0,0,0,0|3,0,0]=4 25 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [1,0,0,0,0,0|3,0,0]=4 26 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [1,0,0,0,0,0|2,0,0]=3 27 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [1,0,0,0,0,0|2,0,0]=3 28 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [1,0,0,0,0,0|3,0,0]=4 29 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [1,0,0,0,0,0|3,0,0]=4 30 B7R0.3 CCOCC(=O)NC WXVL_AK00442SB0091 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.3 CCOCC(=O)NC WXVL_AK00442SB0091 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.3 CCSCC(=O)NC WXVL_AK00442SB0002 [1,0,0,0,0,0|2,0,1]=4 33 B7R0.3 CCSCC(=O)NC WXVL_AK00442SB0002 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.3 CNC(=O)/C=C/CBr WXVL_AK00442SB0424 [1,0,0,0,0,0|2,0,0]=3 35 B7R0.3 CNC(=O)/C=C/CBr WXVL_AK00442SB0424 [1,0,0,0,0,0|2,0,0]=3 36 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [1,0,0,0,0,0|2,0,1]=4 37 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [1,0,0,0,0,0|2,0,1]=4 38 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [1,0,0,0,0,0|2,0,1]=4 39 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [1,0,0,0,0,0|2,0,1]=4 40 B7R0.3 CNC(=O)NCCCl WXVL_AK00442YV0092 [1,0,0,0,0,0|3,0,0]=4 41 B7R0.3 CNC(=O)NCCCl WXVL_AK00442YV0092 [1,0,0,0,0,0|3,0,0]=4 42 B7R0.4 C/C=C/C=C/C(=O)N WXVL_AK0084SB0348 [1,0,0,0,0,0|1,0,2]=4 43 B7R0.4 C/C=C/C=C/C(=O)N WXVL_AK0084SB0348 [1,0,0,0,0,0|1,0,2]=4 44 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [1,0,0,0,0,0|2,0,1]=4 45 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [1,0,0,0,0,0|2,0,1]=4 46 B7R0.4 CC/C=C/CC(=O)N WXVL_AK0084SB0349 [1,0,0,0,0,0|1,0,2]=4 47 B7R0.4 CC/C=C/CC(=O)N WXVL_AK0084SB0349 [1,0,0,0,0,0|1,0,2]=4 48 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [1,0,0,0,0,0|1,0,1]=3 49 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [1,0,0,0,0,0|1,0,1]=3 50 B7R0.4 CCO/C=C/C(=O)N WXVL_AK0084SB3226 [1,0,0,0,0,0|2,0,0]=3 51 B7R0.4 CCO/C=C/C(=O)N WXVL_AK0084SB3226 [1,0,0,0,0,0|2,0,0]=3 52 B7R0.4 CSCCNC(=O)C WXVL_AK00440SB0150 [1,0,0,0,0,0|2,0,1]=4 53 B7R0.4 CSCCNC(=O)C WXVL_AK00440SB0150 [1,0,0,0,0,0|2,0,1]=4 54 B9R0.1 CCC(=O)NCCC(C)C WXVL_AK0068SB0064 [0,1,0,0,0,0|2,0,1]=4 55 B9R0.1 CCC(=O)NCCC(C)C WXVL_AK0068SB0064 [0,1,0,0,0,0|2,0,1]=4 56 B9R0.1 CNC(=O)CCCC(C)C WXVL_AK00442SB1301 [0,1,0,0,0,0|1,0,2]=4 57 B9R0.1 CNC(=O)CCCC(C)C WXVL_AK00442SB1301 [0,1,0,0,0,0|1,0,2]=4 58 B9R0.5 C/C=C/C(=O)NCCCC WXVL_AK00588SB0340 [0,1,0,0,0,0|2,0,1]=4 59 B9R0.5 C/C=C/C(=O)NCCCC WXVL_AK00588SB0340 [0,1,0,0,0,0|2,0,1]=4 60 B9R0.5 C/C=C/C=C/C(=O)NCC WXVL_AK00476SB0348 [0,1,0,0,0,0|1,0,2]=4 61 B9R0.5 C/C=C/C=C/C(=O)NCC WXVL_AK00476SB0348 [0,1,0,0,0,0|1,0,2]=4 62 B9R0.5 CC#CC(=O)NCCCC WXVL_AK00588SB1240 [0,1,0,0,0,0|2,0,1]=4 63 B9R0.5 CC#CC(=O)NCCCC WXVL_AK00588SB1240 [0,1,0,0,0,0|2,0,1]=4 64 B9R0.5 CC/C=C/CC(=O)NCC WXVL_AK00476SB0349 [0,1,0,0,0,0|1,0,2]=4 65 B9R0.5 CC/C=C/CC(=O)NCC WXVL_AK00476SB0349 [0,1,0,0,0,0|1,0,2]=4 66 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [0,1,0,0,0,0|2,0,1]=4 67 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [0,1,0,0,0,0|2,0,1]=4 68 B9R0.5 CCCCNC(=O)COC WXVL_AK00588SB0090 [0,1,0,0,0,0|1,0,1]=3 69 B9R0.5 CCCCNC(=O)COC WXVL_AK00588SB0090 [0,1,0,0,0,0|1,0,1]=3 70 B9R0.5 CCCCNC(=O)CSC WXVL_AK00588SB1267 [0,1,0,0,0,0|1,1,1]=4 71 B9R0.5 CCCCNC(=O)CSC WXVL_AK00588SB1267 [0,1,0,0,0,0|1,1,1]=4 72 B9R0.5 CCNC(=O)/C=C/OCC WXVL_AK00476SB3226 [0,1,0,0,0,0|2,0,0]=3 73 B9R0.5 CCNC(=O)/C=C/OCC WXVL_AK00476SB3226 [0,1,0,0,0,0|2,0,0]=3 74 B9R0.5 COCC(=O)NCCCO WXVL_AK0073SB0090 [0,1,0,0,0,0|2,0,1]=4 75 B9R0.5 COCC(=O)NCCCO WXVL_AK0073SB0090 [0,1,0,0,0,0|2,0,1]=4 76 B9R0.5 COCC(=O)NCCSC WXVL_AK00440SB0090 [0,1,0,0,0,0|2,0,1]=4 77 B9R0.5 COCC(=O)NCCSC WXVL_AK00440SB0090 [0,1,0,0,0,0|2,0,1]=4 78 B9R0.8 C/C=C(\C)/C(=O)NCCC WXVL_AK00504SB0343 [0,1,0,0,0,0|3,0,0]=4 79 B9R0.8 C/C=C(\C)/C(=O)NCCC WXVL_AK00504SB0343 [0,1,0,0,0,0|3,0,0]=4 80 B9R0.8 CCC(=O)C(=O)NCCF WXVL_AK00466SB0344 [0,1,0,0,0,0|3,0,0]=4 81 B9R0.8 CCC(=O)C(=O)NCCF WXVL_AK00466SB0344 [0,1,0,0,0,0|3,0,0]=4 82 B9R0.8 CCCCC(O)C(=O)NC WXVL_AK00442SB3429 [0,1,0,0,0,0|1,0,2]=4 83 B9R0.8 CCCCC(O)C(=O)NC WXVL_AK00442SB3429 [0,1,0,0,0,0|1,0,2]=4 84 B9R0.8 CCCNC(=O)C(=O)CC WXVL_AK00504SB0344 [0,1,0,0,0,0|2,0,0]=3 85 B9R0.8 CCCNC(=O)C(=O)CC WXVL_AK00504SB0344 [0,1,0,0,0,0|2,0,0]=3 86 B9R0.8 CCCNC(=O)[C@@H](C)OC WXVL_AK00504SB2926 [0,1,0,0,0,0|2,0,1]=4 87 B9R0.8 CCCNC(=O)[C@@H](C)OC WXVL_AK00504SB2926 [0,1,0,0,0,0|2,0,1]=4 88 B9R0.34 CCC[C@H](C)NC(=O)CC WXVL_AK00682SB0064 [0,1,0,0,0,0|2,0,1]=4 89 B9R0.34 CCC[C@H](C)NC(=O)CC WXVL_AK00682SB0064 [0,1,0,0,0,0|2,0,1]=4 90 B9R0.34 CCNC(=O)CC(=O)OC WXVL_AK00476SB2790 [0,1,0,0,0,0|1,0,1]=3 91 B9R0.34 CCNC(=O)CC(=O)OC WXVL_AK00476SB2790 [0,1,0,0,0,0|1,0,1]=3 92 B9R0.34 CCOC(=O)CC(=O)NC WXVL_AK00442SB3094 [0,1,0,0,0,0|2,0,1]=4 93 B9R0.34 CCOC(=O)CC(=O)NC WXVL_AK00442SB3094 [0,1,0,0,0,0|2,0,1]=4 94 B9R0.46 CCC(=O)NCCCCO WXVL_AK0075SB0064 [0,1,0,0,0,0|2,0,1]=4 95 B9R0.46 CCC(=O)NCCCCO WXVL_AK0075SB0064 [0,1,0,0,0,0|2,0,1]=4 96 B9R0.46 CCC(=O)NCCCOC WXVL_AK00637SB0064 [0,1,0,0,0,0|2,0,1]=4 97 B9R0.46 CCC(=O)NCCCOC WXVL_AK00637SB0064 [0,1,0,0,0,0|2,0,1]=4 98 B9R0.46 CCC(=O)NCCCSC WXVL_AK0965SB0064 [0,1,0,0,0,0|2,0,1]=4 99 B9R0.46 CCC(=O)NCCCSC WXVL_AK0965SB0064 [0,1,0,0,0,0|2,0,1]=4 100 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [0,1,0,0,0,0|1,0,2]=4 101 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [0,1,0,0,0,0|1,0,2]=4 102 B9R0.46 CCSCCNC(=O)CC WXVL_AK00494SB0064 [0,1,0,0,0,0|2,0,1]=4 103 B9R0.46 CCSCCNC(=O)CC WXVL_AK00494SB0064 [0,1,0,0,0,0|2,0,1]=4 104 B9R0.46 CNC(=O)CCCCCBr WXVL_AK00442SB2192 [0,1,0,0,0,0|1,0,2]=4 105 B9R0.46 CNC(=O)CCCCCBr WXVL_AK00442SB2192 [0,1,0,0,0,0|1,0,2]=4 106 B9R0.46 CNC(=O)CCCCCO WXVL_AK00442SB2973 [0,1,0,0,0,0|1,0,2]=4 107 B9R0.46 CNC(=O)CCCCCO WXVL_AK00442SB2973 [0,1,0,0,0,0|1,0,2]=4 108 B9R0.46 CNC(=O)COCCOC WXVL_AK00442SB0159 [0,1,0,0,0,0|2,0,1]=4 109 B9R0.46 CNC(=O)COCCOC WXVL_AK00442SB0159 [0,1,0,0,0,0|2,0,1]=4 110 B9R0.47 C/C=C/C=C/C(=O)N(C)C WXVL_AN0032SB0348 [0,1,0,0,0,0|1,0,2]=4 111 B9R0.47 C/C=C/C=C/C(=O)N(C)C WXVL_AN0032SB0348 [0,1,0,0,0,0|1,0,2]=4 112 B9R0.47 CC/C=C/CC(=O)N(C)C WXVL_AN0032SB0349 [0,1,0,0,0,0|1,0,2]=4 113 B9R0.47 CC/C=C/CC(=O)N(C)C WXVL_AN0032SB0349 [0,1,0,0,0,0|1,0,2]=4 114 B9R0.47 CCCCNC(=O)C(=O)C WXVL_AK00588SB0051 [0,1,0,0,0,0|2,0,1]=4 115 B9R0.47 CCCCNC(=O)C(=O)C WXVL_AK00588SB0051 [0,1,0,0,0,0|2,0,1]=4 116 B9R0.47 CCCCNC(=O)C(C)C WXVL_AK00588SB0052 [0,1,0,0,0,0|2,0,1]=4 117 B9R0.47 CCCCNC(=O)C(C)C WXVL_AK00588SB0052 [0,1,0,0,0,0|2,0,1]=4 118 B9R0.47 CCCCNC(=O)C(C)S WXVL_AK00588SB2708 [0,1,0,0,0,0|2,0,1]=4 119 B9R0.47 CCCCNC(=O)C(C)S WXVL_AK00588SB2708 [0,1,0,0,0,0|2,0,1]=4 120 B9R0.47 CCCCNC(=O)[C@@H](C)O WXVL_AK00588SB1085 [0,1,0,0,0,0|2,0,1]=4 121 B9R0.47 CCCCNC(=O)[C@@H](C)O WXVL_AK00588SB1085 [0,1,0,0,0,0|2,0,1]=4 122 B9R0.47 CCO/C=C/C(=O)N(C)C WXVL_AN0032SB3226 [0,1,0,0,0,0|2,0,0]=3 123 B9R0.47 CCO/C=C/C(=O)N(C)C WXVL_AN0032SB3226 [0,1,0,0,0,0|2,0,0]=3 124 B9R1.11 CCC(=O)N1CCCC1 WXVL_AN0008SB0064 [0,0,0,1,0,0|2,0,1]=4 125 B9R1.11 CCC(=O)N1CCCC1 WXVL_AN0008SB0064 [0,0,0,1,0,0|2,0,1]=4 126 B9R1.11 CNC(=O)C1CCCC1 WXVL_AK00442SB0043 [0,0,0,1,0,0|1,0,2]=4 127 B9R1.11 CNC(=O)C1CCCC1 WXVL_AK00442SB0043 [0,0,0,1,0,0|1,0,2]=4 128 B9R1.11 CNC(=O)C1CCCO1 WXVL_AK00442SB1033 [0,0,0,1,0,0|2,0,1]=4 129 B9R1.11 CNC(=O)C1CCCO1 WXVL_AK00442SB1033 [0,0,0,1,0,0|2,0,1]=4 130 B9R1.11 CNC(=O)C1CCCS1 WXVL_AK00442SB0022 [0,0,0,1,0,0|2,0,1]=4 131 B9R1.11 CNC(=O)C1CCCS1 WXVL_AK00442SB0022 [0,0,0,1,0,0|2,0,1]=4 132 B9R1.11 CNC(=O)[C@H]1CCCO1 WXVL_AK00442SB00043 [0,0,0,1,0,0|2,0,1]=4 133 B9R1.11 CNC(=O)[C@H]1CCCO1 WXVL_AK00442SB00043 [0,0,0,1,0,0|2,0,1]=4 134 B9R1.79 CNC(=O)CC1CCC1 WXVL_AK00442SB2207 [0,0,0,1,0,0|1,0,2]=4 135 B9R1.79 CNC(=O)CC1CCC1 WXVL_AK00442SB2207 [0,0,0,1,0,0|1,0,2]=4 136 B9R1.80 CNC(=O)C=CC1CC1 WXVL_AK00442SB4216 [0,0,0,1,0,0|1,0,0]=2 137 B9R1.80 CNC(=O)C=CC1CC1 WXVL_AK00442SB4216 [0,0,0,1,0,0|1,0,0]=2 138 B9R1.80 CNC(=O)CCC1CC1 WXVL_AK00442SB5360 [0,0,0,1,0,0|1,0,2]=4 139 B9R1.80 CNC(=O)CCC1CC1 WXVL_AK00442SB5360 [0,0,0,1,0,0|1,0,2]=4 140 B6R0.1 C/C=C/C(=O)NC WXVL_AK00442SB0340 [2,0,0,0,0,0|1,0,0]=3 141 B6R0.1 C/C=C/C(=O)NC WXVL_AK00442SB0340 [2,0,0,0,0,0|1,0,0]=3 142 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [2,0,0,0,0,0|1,0,0]=3 143 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [2,0,0,0,0,0|1,0,0]=3 144 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [2,0,0,0,0,0|2,0,0]=4 145 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [2,0,0,0,0,0|2,0,0]=4 146 B6R0.1 CNC(=O)COC WXVL_AK00442SB0090 [2,0,0,0,0,0|2,0,0]=4 147 B6R0.1 CNC(=O)COC WXVL_AK00442SB0090 [2,0,0,0,0,0|2,0,0]=4 148 B6R0.1 CNC(=O)CSC WXVL_AK00442SB1267 [2,0,0,0,0,0|2,0,0]=4 149 B6R0.1 CNC(=O)CSC WXVL_AK00442SB1267 [2,0,0,0,0,0|2,0,0]=4 150 B6R0.4 CC(=O)NCCF WXVL_AK00466SB0150 [2,0,0,0,0,0|2,0,0]=4 151 B6R0.4 CC(=O)NCCF WXVL_AK00466SB0150 [2,0,0,0,0,0|2,0,0]=4 152 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [2,0,0,0,0,0|1,0,0]=3 153 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [2,0,0,0,0,0|1,0,0]=3 154 B6R0.4 NC(=O)/C=C/CBr WXVL_AK0084SB0424 [2,0,0,0,0,0|2,0,0]=4 155 B6R0.4 NC(=O)/C=C/CBr WXVL_AK0084SB0424 [2,0,0,0,0,0|2,0,0]=4 156 B8R0.1 C/C=C/C(=O)NCCC WXVL_AK00504SB0340 [1,1,0,0,0,0|2,0,0]=4 157 B8R0.1 C/C=C/C(=O)NCCC WXVL_AK00504SB0340 [1,1,0,0,0,0|2,0,0]=4 158 B8R0.1 CCCNC(=O)COC WXVL_AK00504SB0090 [1,1,0,0,0,0|1,0,1]=4 159 B8R0.1 CCCNC(=O)COC WXVL_AK00504SB0090 [1,1,0,0,0,0|1,0,1]=4 160 B8R0.3 CC/C=C(\C)/C(=O)NC WXVL_AK00442SB0037 [1,1,0,0,0,0|1,0,0]=3 161 B8R0.3 CC/C=C(\C)/C(=O)NC WXVL_AK00442SB0037 [1,1,0,0,0,0|1,0,0]=3 162 B8R0.3 CCCC(C)C(=O)NC WXVL_AK00442SB0352 [1,1,0,0,0,0|1,0,1]=4 163 B8R0.3 CCCC(C)C(=O)NC WXVL_AK00442SB0352 [1,1,0,0,0,0|1,0,1]=4 164 B8R0.3 CCC[C@H](O)C(=O)NC WXVL_AK00442SB3627 [1,1,0,0,0,0|1,0,1]=4 165 B8R0.3 CCC[C@H](O)C(=O)NC WXVL_AK00442SB3627 [1,1,0,0,0,0|1,0,1]=4 166 B8R0.3 CCNC(=O)C(=O)CC WXVL_AK00476SB0344 [1,1,0,0,0,0|2,0,0]=4 167 B8R0.3 CCNC(=O)C(=O)CC WXVL_AK00476SB0344 [1,1,0,0,0,0|2,0,0]=4 168 B8R0.3 CCOC(=O)C(=O)NC WXVL_AK00442SB4144 [1,1,0,0,0,0|2,0,0]=4 169 B8R0.3 CCOC(=O)C(=O)NC WXVL_AK00442SB4144 [1,1,0,0,0,0|2,0,0]=4 170 B8R0.8 CCCNC(=O)C(=O)C WXVL_AK00504SB0051 [1,1,0,0,0,0|2,0,0]=4 171 B8R0.8 CCCNC(=O)C(=O)C WXVL_AK00504SB0051 [1,1,0,0,0,0|2,0,0]=4 172 B8R0.8 CCCNC(=O)C(C)C WXVL_AK00504SB0052 [1,1,0,0,0,0|2,0,0]=4 173 B8R0.8 CCCNC(=O)C(C)C WXVL_AK00504SB0052 [1,1,0,0,0,0|2,0,0]=4 174 B8R0.8 CCCNC(=O)C(C)S WXVL_AK00504SB2708 [1,1,0,0,0,0|2,0,0]=4 175 B8R0.8 CCCNC(=O)C(C)S WXVL_AK00504SB2708 [1,1,0,0,0,0|2,0,0]=4 176 B8R0.8 CCCNC(=O)[C@@H](C)O WXVL_AK00504SB1085 [1,1,0,0,0,0|2,0,0]=4 177 B8R0.8 CCCNC(=O)[C@@H](C)O WXVL_AK00504SB1085 [1,1,0,0,0,0|2,0,0]=4 178 B8R0.8 CN(C)C(=O)/C=C/CBr WXVL_AN0032SB0424 [1,1,0,0,0,0|2,0,0]=4 179 B8R0.8 CN(C)C(=O)/C=C/CBr WXVL_AN0032SB0424 [1,1,0,0,0,0|2,0,0]=4 180 B8R0.9 CCC(=O)NCC(C)C WXVL_AK00544SB0064 [1,1,0,0,0,0|2,0,0]=4 181 B8R0.9 CCC(=O)NCC(C)C WXVL_AK00544SB0064 [1,1,0,0,0,0|2,0,0]=4 182 B8R0.9 CCC(=O)NCC(C)O WXVL_AK0052SB0064 [1,1,0,0,0,0|2,0,0]=4 183 B8R0.9 CCC(=O)NCC(C)O WXVL_AK0052SB0064 [1,1,0,0,0,0|2,0,0]=4 184 B8R0.9 CCC(=O)NC[C@H](C)O WXVL_AK0113SB0064 [1,1,0,0,0,0|2,0,0]=4 185 B8R0.9 CCC(=O)NC[C@H](C)O WXVL_AK0113SB0064 [1,1,0,0,0,0|2,0,0]=4 186 B8R0.9 CNC(=O)/C=C/C(C)C WXVL_AK00442SB0036 [1,1,0,0,0,0|1,0,0]=3 187 B8R0.9 CNC(=O)/C=C/C(C)C WXVL_AK00442SB0036 [1,1,0,0,0,0|1,0,0]=3 188 B8R0.9 CNC(=O)CCC(C)C WXVL_AK00442SB0354 [1,1,0,0,0,0|1,0,1]=4 189 B8R0.9 CNC(=O)CCC(C)C WXVL_AK00442SB0354 [1,1,0,0,0,0|1,0,1]=4 190 B8R0.19 CCC(=O)N[C@@H](C)CC WXVL_AK00678SB0064 [1,1,0,0,0,0|2,0,0]=4 191 B8R0.19 CCC(=O)N[C@@H](C)CC WXVL_AK00678SB0064 [1,1,0,0,0,0|2,0,0]=4 192 B8R0.19 CCC(C)CC(=O)NC WXVL_AK00442SB0353 [1,1,0,0,0,0|1,0,1]=4 193 B8R0.19 CCC(C)CC(=O)NC WXVL_AK00442SB0353 [1,1,0,0,0,0|1,0,1]=4 194 B8R0.19 CCC(O)CC(=O)NC WXVL_AK00442SB4092 [1,1,0,0,0,0|1,0,1]=4 195 B8R0.19 CCC(O)CC(=O)NC WXVL_AK00442SB4092 [1,1,0,0,0,0|1,0,1]=4 196 B8R0.19 CC[C@@H](C)CC(=O)NC WXVL_AK00442SB8650 [1,1,0,0,0,0|1,0,1]=4 197 B8R0.19 CC[C@@H](C)CC(=O)NC WXVL_AK00442SB8650 [1,1,0,0,0,0|1,0,1]=4 198 B8R0.19 CNC(=O)CC(=O)OC WXVL_AK00442SB2790 [1,1,0,0,0,0|1,0,1]=4 199 B8R0.19 CNC(=O)CC(=O)OC WXVL_AK00442SB2790 [1,1,0,0,0,0|1,0,1]=4 200 B8R0.5 CCC[C@H](C)NC(=O)C WXVL_AK00682SB0150 [1,1,0,0,0,0|1,0,1]=4 201 B8R0.5 CCC[C@H](C)NC(=O)C WXVL_AK00682SB0150 [1,1,0,0,0,0|1,0,1]=4 202 B8R0.5 CCNC(=O)C=C(C)C WXVL_AK00476SB0342 [1,1,0,0,0,0|2,0,0]=4 203 B8R0.5 CCNC(=O)C=C(C)C WXVL_AK00476SB0342 [1,1,0,0,0,0|2,0,0]=4 204 B8R0.28 CC(=O)NCCC(C)C WXVL_AK0068SB0150 [1,1,0,0,0,0|1,0,1]=4 205 B8R0.28 CC(=O)NCCC(C)C WXVL_AK0068SB0150 [1,1,0,0,0,0|1,0,1]=4 206 B10R0.3 COCC(=O)NCCC(C)C WXVL_AK0068SB0090 [0,2,0,0,0,0|1,0,1]=4 207 B10R0.3 COCC(=O)NCCC(C)C WXVL_AK0068SB0090 [0,2,0,0,0,0|1,0,1]=4 208 B10R0.44 COC(=O)CC(=O)NC(C)C WXVL_AK0030SB2790 [0,2,0,0,0,0|1,0,1]=4 209 B10R0.44 COC(=O)CC(=O)NC(C)C WXVL_AK0030SB2790 [0,2,0,0,0,0|1,0,1]=4 210 B10R0.57 CCC(=O)C(=O)NCC(C)C WXVL_AK00544SB0344 [0,2,0,0,0,0|2,0,0]=4 211 B10R0.57 CCC(=O)C(=O)NCC(C)C WXVL_AK00544SB0344 [0,2,0,0,0,0|2,0,0]=4 212 B10R0.57 CCC(=O)C(=O)NCC(C)O WXVL_AK0052SB0344 [0,2,0,0,0,0|2,0,0]=4 213 B10R0.57 CCC(=O)C(=O)NCC(C)O WXVL_AK0052SB0344 [0,2,0,0,0,0|2,0,0]=4 214 B10R0.57 CCC(=O)C(=O)NC[C@H](C)O WXVL_AK0113SB0344 [0,2,0,0,0,0|2,0,0]=4 215 B10R0.57 CCC(=O)C(=O)NC[C@H](C)O WXVL_AK0113SB0344 [0,2,0,0,0,0|2,0,0]=4 216 B10R0.1 CCCCCNC(=O)COC WXVL_AK0076SB0090 [0,2,0,0,0,0|0,0,2]=4 217 B10R0.1 CCCCCNC(=O)COC WXVL_AK0076SB0090 [0,2,0,0,0,0|0,0,2]=4 218 B10R0.1 CCSCCNC(=O)COC WXVL_AK00494SB0090 [0,2,0,0,0,0|1,0,1]=4 219 B10R0.1 CCSCCNC(=O)COC WXVL_AK00494SB0090 [0,2,0,0,0,0|1,0,1]=4 220 B10R0.1 COCC(=O)NCCCCO WXVL_AK0075SB0090 [0,2,0,0,0,0|1,0,1]=4 221 B10R0.1 COCC(=O)NCCCCO WXVL_AK0075SB0090 [0,2,0,0,0,0|1,0,1]=4 222 B10R0.1 COCC(=O)NCCCSC WXVL_AK0965SB0090 [0,2,0,0,0,0|1,0,1]=4 223 B10R0.1 COCC(=O)NCCCSC WXVL_AK0965SB0090 [0,2,0,0,0,0|1,0,1]=4 224 B10R0.1 COCCCNC(=O)COC WXVL_AK00637SB0090 [0,2,0,0,0,0|1,0,1]=4 225 B10R0.1 COCCCNC(=O)COC WXVL_AK00637SB0090 [0,2,0,0,0,0|1,0,1]=4 226 B10R0.2 CCC[C@H](C)NC(=O)COC WXVL_AK00682SB0090 [0,2,0,0,0,0|1,0,1]=4 227 B10R0.2 CCC[C@H](C)NC(=O)COC WXVL_AK00682SB0090 [0,2,0,0,0,0|1,0,1]=4 228 B10R0.2 CCNC(=O)CC(=O)OCC WXVL_AK00476SB3094 [0,2,0,0,0,0|1,0,1]=4 229 B10R0.2 CCNC(=O)CC(=O)OCC WXVL_AK00476SB3094 [0,2,0,0,0,0|1,0,1]=4 230 B10R0.6 CCO/C=C/C(=O)NC(C)C WXVL_AK0030SB3226 [0,2,0,0,0,0|2,0,0]=4 231 B10R0.6 CCO/C=C/C(=O)NC(C)C WXVL_AK0030SB3226 [0,2,0,0,0,0|2,0,0]=4 232 B10R0.19 CCCNC(=O)C(=O)OCC WXVL_AK00504SB4144 [0,2,0,0,0,0|1,0,0]=3 233 B10R0.19 CCCNC(=O)C(=O)OCC WXVL_AK00504SB4144 [0,2,0,0,0,0|1,0,0]=3 234 B10R0.19 CCOC(=O)C(=O)NCCF WXVL_AK00466SB4144 [0,2,0,0,0,0|2,0,0]=4 235 B10R0.19 CCOC(=O)C(=O)NCCF WXVL_AK00466SB4144 [0,2,0,0,0,0|2,0,0]=4 236 B10R0.83 CCC(=O)C(=O)NCCCO WXVL_AK0073SB0344 [0,2,0,0,0,0|2,0,0]=4 237 B10R0.83 CCC(=O)C(=O)NCCCO WXVL_AK0073SB0344 [0,2,0,0,0,0|2,0,0]=4 238 B10R0.83 CCC(=O)C(=O)NCCSC WXVL_AK00440SB0344 [0,2,0,0,0,0|2,0,0]=4 239 B10R0.83 CCC(=O)C(=O)NCCSC WXVL_AK00440SB0344 [0,2,0,0,0,0|2,0,0]=4 240 B10R0.83 CCCCNC(=O)C(=O)CC WXVL_AK00588SB0344 [0,2,0,0,0,0|1,0,1]=4 241 B10R0.83 CCCCNC(=O)C(=O)CC WXVL_AK00588SB0344 [0,2,0,0,0,0|1,0,1]=4 242 B10R0.83 CCCCNC(=O)[C@@H](C)OC WXVL_AK00588SB2926 [0,2,0,0,0,0|1,0,1]=4 243 B10R0.83 CCCCNC(=O)[C@@H](C)OC WXVL_AK00588SB2926 [0,2,0,0,0,0|1,0,1]=4 244 B10R0.91 C=CCNC(=O)/C=C/OCC WXVL_AK00561SB3226 [0,2,0,0,0,0|2,0,0]=4 245 B10R0.91 C=CCNC(=O)/C=C/OCC WXVL_AK00561SB3226 [0,2,0,0,0,0|2,0,0]=4 246 B10R0.91 CCCCNC(=O)CCOC WXVL_AK00588SB0156 [0,2,0,0,0,0|1,0,1]=4 247 B10R0.91 CCCCNC(=O)CCOC WXVL_AK00588SB0156 [0,2,0,0,0,0|1,0,1]=4 248 B10R0.91 CCCCNC(=O)COCC WXVL_AK00588SB0091 [0,2,0,0,0,0|1,0,1]=4 249 B10R0.91 CCCCNC(=O)COCC WXVL_AK00588SB0091 [0,2,0,0,0,0|1,0,1]=4 250 B10R0.91 CCCNC(=O)/C=C/OCC WXVL_AK00504SB3226 [0,2,0,0,0,0|2,0,0]=4 251 B10R0.91 CCCNC(=O)/C=C/OCC WXVL_AK00504SB3226 [0,2,0,0,0,0|2,0,0]=4 252 B10R0.91 CCO/C=C/C(=O)NCC#N WXVL_AK0683SB3226 [0,2,0,0,0,0|2,0,0]=4 253 B10R0.91 CCO/C=C/C(=O)NCC#N WXVL_AK0683SB3226 [0,2,0,0,0,0|2,0,0]=4 254 B10R0.91 CCO/C=C/C(=O)NCCF WXVL_AK00466SB3226 [0,2,0,0,0,0|2,0,0]=4 255 B10R0.91 CCO/C=C/C(=O)NCCF WXVL_AK00466SB3226 [0,2,0,0,0,0|2,0,0]=4 256 B10R0.108 CCCC(=O)NCC(=O)NC WXVL_AK1222SB0073 [0,2,0,0,0,0|1,0,1]=4 257 B10R0.108 CCCC(=O)NCC(=O)NC WXVL_AK1222SB0073 [0,2,0,0,0,0|1,0,1]=4 258 B10R0.108 CCNC(=O)CCC(=O)OC WXVL_AK00476SB0069 [0,2,0,0,0,0|1,0,1]=4 259 B10R0.108 CCNC(=O)CCC(=O)OC WXVL_AK00476SB0069 [0,2,0,0,0,0|1,0,1]=4 260 B10R0.108 CCOC(=O)/C=C/C(=O)NC WXVL_AK00442SB0061 [0,2,0,0,0,0|1,0,1]=4 261 B10R0.108 CCOC(=O)/C=C/C(=O)NC WXVL_AK00442SB0061 [0,2,0,0,0,0|1,0,1]=4 262 B10R0.35 CCNC(=O)C(C)C(=O)OC WXVL_AK00476SB5708 [0,2,0,0,0,0|1,0,1]=4 263 B10R0.35 CCNC(=O)C(C)C(=O)OC WXVL_AK00476SB5708 [0,2,0,0,0,0|1,0,1]=4 264 B10R0.46 CCC(=O)C(=O)N[C@@H](C)CC WXVL_AK00678SB0344 [0,2,0,0,0,0|2,0,0]=4 265 B10R0.46 CCC(=O)C(=O)N[C@@H](C)CC WXVL_AK00678SB0344 [0,2,0,0,0,0|2,0,0]=4 266 B10R0.81 CCCNC(=O)C(=O)C(C)C WXVL_AK00504SB2578 [0,2,0,0,0,0|2,0,0]=4 267 B10R0.81 CCCNC(=O)C(=O)C(C)C WXVL_AK00504SB2578 [0,2,0,0,0,0|2,0,0]=4 268 B10R0.18 CCCNC(=O)CC(=O)OC WXVL_AK00504SB2790 [0,2,0,0,0,0|0,0,1]=3 269 B10R0.18 CCCNC(=O)CC(=O)OC WXVL_AK00504SB2790 [0,2,0,0,0,0|0,0,1]=3 270 B10R0.18 COC(=O)CC(=O)NCCF WXVL_AK00466SB2790 [0,2,0,0,0,0|1,0,1]=4 271 B10R0.18 COC(=O)CC(=O)NCCF WXVL_AK00466SB2790 [0,2,0,0,0,0|1,0,1]=4 272 B10R0.74 CCCCC/C=C/C(=O)NC WXVL_AK00442SB3331 [0,2,0,0,0,0|1,0,0]=3 273 B10R0.74 CCCCC/C=C/C(=O)NC WXVL_AK00442SB3331 [0,2,0,0,0,0|1,0,0]=3 274 B8R1.38 CNC(=O)C1CCC1 WXVL_AK00442SB0042 [1,0,0,1,0,0|1,0,1]=4 275 B8R1.38 CNC(=O)C1CCC1 WXVL_AK00442SB0042 [1,0,0,1,0,0|1,0,1]=4 276 B8R1.40 CCC(=O)NC1CC1 WXVL_AK0001SB0064 [1,0,0,1,0,0|2,0,0]=4 277 B8R1.40 CCC(=O)NC1CC1 WXVL_AK0001SB0064 [1,0,0,1,0,0|2,0,0]=4 278 B8R1.40 CNC(=O)CC1CC1 WXVL_AK00442SB0155 [1,0,0,1,0,0|1,0,1]=4 279 B8R1.40 CNC(=O)CC1CC1 WXVL_AK00442SB0155 [1,0,0,1,0,0|1,0,1]=4 280 B8R1.83 CNC(=O)C1CC1C WXVL_AK00442SB0041 [1,0,0,1,0,0|1,0,1]=4 281 B8R1.83 CNC(=O)C1CC1C WXVL_AK00442SB0041 [1,0,0,1,0,0|1,0,1]=4 282 B8R1.7 CC(=O)N1CCCC1 WXVL_AN0008SB0150 [1,0,0,1,0,0|1,0,1]=4 283 B8R1.7 CC(=O)N1CCCC1 WXVL_AN0008SB0150 [1,0,0,1,0,0|1,0,1]=4 284 B8R1.35 NC(=O)C=CC1CC1 WXVL_AK0084SB4216 [1,0,0,1,0,0|1,0,0]=3 285 B8R1.35 NC(=O)C=CC1CC1 WXVL_AK0084SB4216 [1,0,0,1,0,0|1,0,0]=3 286 B10R1.11 COCC(=O)N1CCCC1 WXVL_AN0008SB0090 [0,1,0,1,0,0|1,0,1]=4 287 B10R1.11 COCC(=O)N1CCCC1 WXVL_AN0008SB0090 [0,1,0,1,0,0|1,0,1]=4 288 B10R1.138 CCNC(=O)C=CC1CC1 WXVL_AK00476SB4216 [0,1,0,1,0,0|1,0,0]=3 289 B10R1.138 CCNC(=O)C=CC1CC1 WXVL_AK00476SB4216 [0,1,0,1,0,0|1,0,0]=3 290 B10R1.15 CNC(=O)C1=CCCCO1 WXVL_AK00442SB4858 [0,1,0,1,0,0|1,0,0]=3 291 B10R1.15 CNC(=O)C1=CCCCO1 WXVL_AK00442SB4858 [0,1,0,1,0,0|1,0,0]=3 292 B10R1.15 CNC(=O)C1=COCCC1 WXVL_AK00442SB2928 [0,1,0,1,0,0|1,0,0]=3 293 B10R1.15 CNC(=O)C1=COCCC1 WXVL_AK00442SB2928 [0,1,0,1,0,0|1,0,0]=3 294 B10R1.184 CCC(=O)C(=O)NC1CC1 WXVL_AK0001SB0344 [0,1,0,1,0,0|2,0,0]=4 295 B10R1.184 CCC(=O)C(=O)NC1CC1 WXVL_AK0001SB0344 [0,1,0,1,0,0|2,0,0]=4 296 B10R1.149 CNC(=O)C1=C(OCC1)C WXVL_AK00442SC00025 [0,1,0,1,0,0|2,0,0]=4 297 B10R1.149 CNC(=O)C1=C(OCC1)C WXVL_AK00442SC00025 [0,1,0,1,0,0|2,0,0]=4 298 B10R1.205 CN(C)C(=O)C=CC1CC1 WXVL_AN0032SB4216 [0,1,0,1,0,0|1,0,0]=3 299 B10R1.205 CN(C)C(=O)C=CC1CC1 WXVL_AN0032SB4216 [0,1,0,1,0,0|1,0,0]=3