0 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.1 CCNC(=O)/C=C/CBr WXVL_AK00476SB0424 [0,0,0,0,0,0|3,0,0]=3 3 B8R0.1 CCNC(=O)/C=C/CBr WXVL_AK00476SB0424 [0,0,0,0,0,0|3,0,0]=3 4 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [0,0,0,0,0,0|1,1,2]=4 5 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [0,0,0,0,0,0|1,1,2]=4 6 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [0,0,0,0,0,0|1,0,2]=3 7 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [0,0,0,0,0,0|1,0,2]=3 8 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [0,0,0,0,0,0|3,0,1]=4 9 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [0,0,0,0,0,0|3,0,1]=4 10 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [0,0,0,0,0,0|3,0,1]=4 11 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.3 CNC(=O)/C=C/CBr WXVL_AK00442SB0424 [1,0,0,0,0,0|3,0,0]=4 15 B7R0.3 CNC(=O)/C=C/CBr WXVL_AK00442SB0424 [1,0,0,0,0,0|3,0,0]=4 16 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [1,0,0,0,0,0|1,0,2]=4 17 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [1,0,0,0,0,0|1,0,2]=4 18 B7R0.7 C/C=C/C(=O)NCC WXVL_AK00476SB0340 [1,0,0,0,0,0|1,0,0]=2 19 B7R0.7 C/C=C/C(=O)NCC WXVL_AK00476SB0340 [1,0,0,0,0,0|1,0,0]=2 20 B7R0.7 C=CCC(=O)NCC WXVL_AK00476SB2732 [1,0,0,0,0,0|1,0,2]=4 21 B7R0.7 C=CCC(=O)NCC WXVL_AK00476SB2732 [1,0,0,0,0,0|1,0,2]=4 22 B7R0.7 CC#CC(=O)NCC WXVL_AK00476SB1240 [1,0,0,0,0,0|1,0,2]=4 23 B7R0.7 CC#CC(=O)NCC WXVL_AK00476SB1240 [1,0,0,0,0,0|1,0,2]=4 24 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [1,0,0,0,0,0|1,0,2]=4 25 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [1,0,0,0,0,0|1,0,2]=4 26 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [1,0,0,0,0,0|1,1,1]=4 27 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [1,0,0,0,0,0|1,1,1]=4 28 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [1,0,0,0,0,0|1,0,1]=3 29 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [1,0,0,0,0,0|1,0,1]=3 30 B9R0.4 CC(C)NC(=O)/C=C/CBr WXVL_AK0030SB0424 [0,1,0,0,0,0|3,0,0]=4 31 B9R0.4 CC(C)NC(=O)/C=C/CBr WXVL_AK0030SB0424 [0,1,0,0,0,0|3,0,0]=4 32 B9R0.4 CSCCC(=O)NC(C)C WXVL_AK0030SB0361 [0,1,0,0,0,0|1,0,2]=4 33 B9R0.4 CSCCC(=O)NC(C)C WXVL_AK0030SB0361 [0,1,0,0,0,0|1,0,2]=4 34 B9R0.5 C/C=C/C=C/C(=O)NCC WXVL_AK00476SB0348 [0,1,0,0,0,0|2,0,0]=3 35 B9R0.5 C/C=C/C=C/C(=O)NCC WXVL_AK00476SB0348 [0,1,0,0,0,0|2,0,0]=3 36 B9R0.5 CC/C=C/CC(=O)NCC WXVL_AK00476SB0349 [0,1,0,0,0,0|2,0,0]=3 37 B9R0.5 CC/C=C/CC(=O)NCC WXVL_AK00476SB0349 [0,1,0,0,0,0|2,0,0]=3 38 B9R0.5 CCCC(=O)NCCSC WXVL_AK00440SB0073 [0,1,0,0,0,0|1,0,2]=4 39 B9R0.5 CCCC(=O)NCCSC WXVL_AK00440SB0073 [0,1,0,0,0,0|1,0,2]=4 40 B9R0.5 CCNC(=O)/C=C/OCC WXVL_AK00476SB3226 [0,1,0,0,0,0|1,1,0]=3 41 B9R0.5 CCNC(=O)/C=C/OCC WXVL_AK00476SB3226 [0,1,0,0,0,0|1,1,0]=3 42 B9R0.18 CCCNC(=O)/C=C/CBr WXVL_AK00504SB0424 [0,1,0,0,0,0|3,0,0]=4 43 B9R0.18 CCCNC(=O)/C=C/CBr WXVL_AK00504SB0424 [0,1,0,0,0,0|3,0,0]=4 44 B9R0.18 CCCNC(=O)CCSC WXVL_AK00504SB0361 [0,1,0,0,0,0|1,0,2]=4 45 B9R0.18 CCCNC(=O)CCSC WXVL_AK00504SB0361 [0,1,0,0,0,0|1,0,2]=4 46 B9R0.18 CCCNC(=O)COCC WXVL_AK00504SB0091 [0,1,0,0,0,0|2,0,1]=4 47 B9R0.18 CCCNC(=O)COCC WXVL_AK00504SB0091 [0,1,0,0,0,0|2,0,1]=4 48 B9R0.18 CSCCC(=O)NCCF WXVL_AK00466SB0361 [0,1,0,0,0,0|1,0,2]=4 49 B9R0.18 CSCCC(=O)NCCF WXVL_AK00466SB0361 [0,1,0,0,0,0|1,0,2]=4 50 B9R0.18 O=C(/C=C/CBr)NCCF WXVL_AK00466SB0424 [0,1,0,0,0,0|3,0,0]=4 51 B9R0.18 O=C(/C=C/CBr)NCCF WXVL_AK00466SB0424 [0,1,0,0,0,0|3,0,0]=4 52 B9R0.34 CCNC(=O)CC(=O)OC WXVL_AK00476SB2790 [0,1,0,0,0,0|1,1,1]=4 53 B9R0.34 CCNC(=O)CC(=O)OC WXVL_AK00476SB2790 [0,1,0,0,0,0|1,1,1]=4 54 B9R0.34 CCOC(=O)CC(=O)NC WXVL_AK00442SB3094 [0,1,0,0,0,0|1,0,1]=3 55 B9R0.34 CCOC(=O)CC(=O)NC WXVL_AK00442SB3094 [0,1,0,0,0,0|1,0,1]=3 56 B9R0.35 CC/C=C(\C)/C(=O)NCC WXVL_AK00476SB0037 [0,1,0,0,0,0|2,0,0]=3 57 B9R0.35 CC/C=C(\C)/C(=O)NCC WXVL_AK00476SB0037 [0,1,0,0,0,0|2,0,0]=3 58 B9R0.35 CCNC(=O)C(=O)OCC WXVL_AK00476SB4144 [0,1,0,0,0,0|2,0,0]=3 59 B9R0.35 CCNC(=O)C(=O)OCC WXVL_AK00476SB4144 [0,1,0,0,0,0|2,0,0]=3 60 B9R0.48 CCNC(=O)/C=C/C(C)C WXVL_AK00476SB0036 [0,1,0,0,0,0|2,0,0]=3 61 B9R0.48 CCNC(=O)/C=C/C(C)C WXVL_AK00476SB0036 [0,1,0,0,0,0|2,0,0]=3 62 B9R0.48 CCOC(=O)/C=C/C(=O)N WXVL_AK0084SB0061 [0,1,0,0,0,0|2,0,0]=3 63 B9R0.48 CCOC(=O)/C=C/C(=O)N WXVL_AK0084SB0061 [0,1,0,0,0,0|2,0,0]=3 64 B6R0.1 C/C=C/C(=O)NC WXVL_AK00442SB0340 [2,0,0,0,0,0|1,0,0]=3 65 B6R0.1 C/C=C/C(=O)NC WXVL_AK00442SB0340 [2,0,0,0,0,0|1,0,0]=3 66 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [2,0,0,0,0,0|2,0,0]=4 67 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [2,0,0,0,0,0|2,0,0]=4 68 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [2,0,0,0,0,0|1,0,1]=4 69 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [2,0,0,0,0,0|1,0,1]=4 70 B6R0.1 CNC(=O)CSC WXVL_AK00442SB1267 [2,0,0,0,0,0|1,0,1]=4 71 B6R0.1 CNC(=O)CSC WXVL_AK00442SB1267 [2,0,0,0,0,0|1,0,1]=4 72 B8R0.6 CCO/C=C/C(=O)NC WXVL_AK00442SB3226 [1,1,0,0,0,0|1,0,0]=3 73 B8R0.6 CCO/C=C/C(=O)NC WXVL_AK00442SB3226 [1,1,0,0,0,0|1,0,0]=3 74 B8R0.3 CC/C=C(\C)/C(=O)NC WXVL_AK00442SB0037 [1,1,0,0,0,0|2,0,0]=4 75 B8R0.3 CC/C=C(\C)/C(=O)NC WXVL_AK00442SB0037 [1,1,0,0,0,0|2,0,0]=4 76 B8R0.3 CCNC(=O)C(=O)CC WXVL_AK00476SB0344 [1,1,0,0,0,0|2,0,0]=4 77 B8R0.3 CCNC(=O)C(=O)CC WXVL_AK00476SB0344 [1,1,0,0,0,0|2,0,0]=4 78 B8R0.9 CNC(=O)/C=C/C(C)C WXVL_AK00442SB0036 [1,1,0,0,0,0|2,0,0]=4 79 B8R0.9 CNC(=O)/C=C/C(C)C WXVL_AK00442SB0036 [1,1,0,0,0,0|2,0,0]=4 80 B8R0.19 CNC(=O)CC(=O)OC WXVL_AK00442SB2790 [1,1,0,0,0,0|1,0,1]=4 81 B8R0.19 CNC(=O)CC(=O)OC WXVL_AK00442SB2790 [1,1,0,0,0,0|1,0,1]=4 82 B8R0.5 C/C=C/C(=O)NC(C)C WXVL_AK0030SB0340 [1,1,0,0,0,0|1,0,0]=3 83 B8R0.5 C/C=C/C(=O)NC(C)C WXVL_AK0030SB0340 [1,1,0,0,0,0|1,0,0]=3 84 B8R0.5 CCNC(=O)C=C(C)C WXVL_AK00476SB0342 [1,1,0,0,0,0|1,0,0]=3 85 B8R0.5 CCNC(=O)C=C(C)C WXVL_AK00476SB0342 [1,1,0,0,0,0|1,0,0]=3 86 B8R0.5 CCOC(=O)CC(=O)N WXVL_AK0084SB3094 [1,1,0,0,0,0|0,1,1]=4 87 B8R0.5 CCOC(=O)CC(=O)N WXVL_AK0084SB3094 [1,1,0,0,0,0|0,1,1]=4 88 B8R0.5 CSCC(=O)NC(C)C WXVL_AK0030SB1267 [1,1,0,0,0,0|1,0,1]=4 89 B8R0.5 CSCC(=O)NC(C)C WXVL_AK0030SB1267 [1,1,0,0,0,0|1,0,1]=4 90 B10R0.6 C/C=C/C=C/C(=O)NC(C)C WXVL_AK0030SB0348 [0,2,0,0,0,0|2,0,0]=4 91 B10R0.6 C/C=C/C=C/C(=O)NC(C)C WXVL_AK0030SB0348 [0,2,0,0,0,0|2,0,0]=4 92 B10R0.6 CC/C=C/CC(=O)NC(C)C WXVL_AK0030SB0349 [0,2,0,0,0,0|2,0,0]=4 93 B10R0.6 CC/C=C/CC(=O)NC(C)C WXVL_AK0030SB0349 [0,2,0,0,0,0|2,0,0]=4 94 B10R0.6 CCO/C=C/C(=O)NC(C)C WXVL_AK0030SB3226 [0,2,0,0,0,0|1,1,0]=4 95 B10R0.6 CCO/C=C/C(=O)NC(C)C WXVL_AK0030SB3226 [0,2,0,0,0,0|1,1,0]=4 96 B10R0.32 CC/C=C(\C)/C(=O)NC(C)C WXVL_AK0030SB0037 [0,2,0,0,0,0|2,0,0]=4 97 B10R0.32 CC/C=C(\C)/C(=O)NC(C)C WXVL_AK0030SB0037 [0,2,0,0,0,0|2,0,0]=4 98 B10R0.32 CCOC(=O)C(=O)NC(C)C WXVL_AK0030SB4144 [0,2,0,0,0,0|2,0,0]=4 99 B10R0.32 CCOC(=O)C(=O)NC(C)C WXVL_AK0030SB4144 [0,2,0,0,0,0|2,0,0]=4 100 B10R0.96 CC(C)/C=C/C(=O)NC(C)C WXVL_AK0030SB0036 [0,2,0,0,0,0|2,0,0]=4 101 B10R0.96 CC(C)/C=C/C(=O)NC(C)C WXVL_AK0030SB0036 [0,2,0,0,0,0|2,0,0]=4 102 B10R0.2 CCNC(=O)CC(=O)OCC WXVL_AK00476SB3094 [0,2,0,0,0,0|1,0,1]=4 103 B10R0.2 CCNC(=O)CC(=O)OCC WXVL_AK00476SB3094 [0,2,0,0,0,0|1,0,1]=4 104 B10R0.19 CC/C=C(\C)/C(=O)NCCC WXVL_AK00504SB0037 [0,2,0,0,0,0|2,0,0]=4 105 B10R0.19 CC/C=C(\C)/C(=O)NCCC WXVL_AK00504SB0037 [0,2,0,0,0,0|2,0,0]=4 106 B10R0.19 CC/C=C(\C)/C(=O)NCCF WXVL_AK00466SB0037 [0,2,0,0,0,0|2,0,0]=4 107 B10R0.19 CC/C=C(\C)/C(=O)NCCF WXVL_AK00466SB0037 [0,2,0,0,0,0|2,0,0]=4 108 B10R0.19 CCCNC(=O)C(=O)OCC WXVL_AK00504SB4144 [0,2,0,0,0,0|1,0,1]=4 109 B10R0.19 CCCNC(=O)C(=O)OCC WXVL_AK00504SB4144 [0,2,0,0,0,0|1,0,1]=4 110 B10R0.19 CCOC(=O)C(=O)NCCF WXVL_AK00466SB4144 [0,2,0,0,0,0|2,0,0]=4 111 B10R0.19 CCOC(=O)C(=O)NCCF WXVL_AK00466SB4144 [0,2,0,0,0,0|2,0,0]=4 112 B10R0.91 C/C=C/C=C/C(=O)NCCC WXVL_AK00504SB0348 [0,2,0,0,0,0|2,0,0]=4 113 B10R0.91 C/C=C/C=C/C(=O)NCCC WXVL_AK00504SB0348 [0,2,0,0,0,0|2,0,0]=4 114 B10R0.91 C/C=C/C=C/C(=O)NCCF WXVL_AK00466SB0348 [0,2,0,0,0,0|2,0,0]=4 115 B10R0.91 C/C=C/C=C/C(=O)NCCF WXVL_AK00466SB0348 [0,2,0,0,0,0|2,0,0]=4 116 B10R0.91 CC/C=C/CC(=O)NCCC WXVL_AK00504SB0349 [0,2,0,0,0,0|2,0,0]=4 117 B10R0.91 CC/C=C/CC(=O)NCCC WXVL_AK00504SB0349 [0,2,0,0,0,0|2,0,0]=4 118 B10R0.91 CC/C=C/CC(=O)NCCF WXVL_AK00466SB0349 [0,2,0,0,0,0|2,0,0]=4 119 B10R0.91 CC/C=C/CC(=O)NCCF WXVL_AK00466SB0349 [0,2,0,0,0,0|2,0,0]=4 120 B10R0.91 CCCNC(=O)/C=C/OCC WXVL_AK00504SB3226 [0,2,0,0,0,0|1,1,0]=4 121 B10R0.91 CCCNC(=O)/C=C/OCC WXVL_AK00504SB3226 [0,2,0,0,0,0|1,1,0]=4 122 B10R0.91 CCO/C=C/C(=O)NCCF WXVL_AK00466SB3226 [0,2,0,0,0,0|1,1,0]=4 123 B10R0.91 CCO/C=C/C(=O)NCCF WXVL_AK00466SB3226 [0,2,0,0,0,0|1,1,0]=4 124 B10R0.91 CCOCC(=O)NCCSC WXVL_AK00440SB0091 [0,2,0,0,0,0|0,0,2]=4 125 B10R0.91 CCOCC(=O)NCCSC WXVL_AK00440SB0091 [0,2,0,0,0,0|0,0,2]=4 126 B10R0.108 CCOC(=O)/C=C/C(=O)NC WXVL_AK00442SB0061 [0,2,0,0,0,0|1,0,0]=3 127 B10R0.108 CCOC(=O)/C=C/C(=O)NC WXVL_AK00442SB0061 [0,2,0,0,0,0|1,0,0]=3 128 B10R0.108 CCOC(=O)CNC(=O)NC WXVL_AK00442YV0151 [0,2,0,0,0,0|1,0,1]=4 129 B10R0.108 CCOC(=O)CNC(=O)NC WXVL_AK00442YV0151 [0,2,0,0,0,0|1,0,1]=4 130 B10R0.78 CC(C)/C=C/C(=O)NCCF WXVL_AK00466SB0036 [0,2,0,0,0,0|2,0,0]=4 131 B10R0.78 CC(C)/C=C/C(=O)NCCF WXVL_AK00466SB0036 [0,2,0,0,0,0|2,0,0]=4 132 B10R0.78 CCCNC(=O)/C=C/C(C)C WXVL_AK00504SB0036 [0,2,0,0,0,0|2,0,0]=4 133 B10R0.78 CCCNC(=O)/C=C/C(C)C WXVL_AK00504SB0036 [0,2,0,0,0,0|2,0,0]=4 134 B10R0.26 CCOC(=O)CC(=O)N(C)C WXVL_AN0032SB3094 [0,2,0,0,0,0|1,0,1]=4 135 B10R0.26 CCOC(=O)CC(=O)N(C)C WXVL_AN0032SB3094 [0,2,0,0,0,0|1,0,1]=4 136 B10R1.11 CCNC(=O)c1ccsc1 WXVL_AK00476SC0054 [0,1,0,1,0,0|1,0,1]=4 137 B10R1.11 CCNC(=O)c1ccsc1 WXVL_AK00476SC0054 [0,1,0,1,0,0|1,0,1]=4 138 B10R1.11 CCNC(=O)c1ccsn1 WXVL_AK00476SC0764 [0,1,0,1,0,0|2,0,0]=4 139 B10R1.11 CCNC(=O)c1ccsn1 WXVL_AK00476SC0764 [0,1,0,1,0,0|2,0,0]=4 140 B10R1.11 CCNC(=O)c1cnsn1 WXVL_AK00476SC1291 [0,1,0,1,0,0|2,0,0]=4 141 B10R1.11 CCNC(=O)c1cnsn1 WXVL_AK00476SC1291 [0,1,0,1,0,0|2,0,0]=4 142 B10R1.11 CCNC(=O)c1cscn1 WXVL_AK00476SC0092 [0,1,0,1,0,0|1,0,1]=4 143 B10R1.11 CCNC(=O)c1cscn1 WXVL_AK00476SC0092 [0,1,0,1,0,0|1,0,1]=4 144 B10R1.11 CCNC(=O)c1csnn1 WXVL_AK00476SC0002 [0,1,0,1,0,0|2,0,0]=4 145 B10R1.11 CCNC(=O)c1csnn1 WXVL_AK00476SC0002 [0,1,0,1,0,0|2,0,0]=4 146 B10R1.138 CCNC(=O)C=CC1CC1 WXVL_AK00476SB4216 [0,1,0,1,0,0|2,0,0]=4 147 B10R1.138 CCNC(=O)C=CC1CC1 WXVL_AK00476SB4216 [0,1,0,1,0,0|2,0,0]=4 148 B10R1.149 CNC(=O)C1=C(OCC1)C WXVL_AK00442SC00025 [0,1,0,1,0,0|2,0,0]=4 149 B10R1.149 CNC(=O)C1=C(OCC1)C WXVL_AK00442SC00025 [0,1,0,1,0,0|2,0,0]=4