0 B6R0.1 C#CC(=O)NCC WXVL_AK00476SB0338 [0,0,1,0,0,0|1,0,2]=4 1 B6R0.1 C#CC(=O)NCC WXVL_AK00476SB0338 [0,0,1,0,0,0|1,0,2]=4 2 B6R0.1 C/C=C/C(=O)NC WXVL_AK00442SB0340 [0,0,1,0,0,0|1,0,0]=2 3 B6R0.1 C/C=C/C(=O)NC WXVL_AK00442SB0340 [0,0,1,0,0,0|1,0,0]=2 4 B6R0.1 C=CCC(=O)NC WXVL_AK00442SB2732 [0,0,1,0,0,0|1,0,2]=4 5 B6R0.1 C=CCC(=O)NC WXVL_AK00442SB2732 [0,0,1,0,0,0|1,0,2]=4 6 B6R0.1 CC#CC(=O)NC WXVL_AK00442SB1240 [0,0,1,0,0,0|1,0,2]=4 7 B6R0.1 CC#CC(=O)NC WXVL_AK00442SB1240 [0,0,1,0,0,0|1,0,2]=4 8 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [0,0,1,0,0,0|1,0,1]=3 9 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [0,0,1,0,0,0|1,0,1]=3 10 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [0,0,1,0,0,0|1,0,1]=3 11 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [0,0,1,0,0,0|1,0,1]=3 12 B6R0.1 CCNC(=O)CO WXVL_AK00476SB2706 [0,0,1,0,0,0|2,0,1]=4 13 B6R0.1 CCNC(=O)CO WXVL_AK00476SB2706 [0,0,1,0,0,0|2,0,1]=4 14 B6R0.1 CNC(=O)COC WXVL_AK00442SB0090 [0,0,1,0,0,0|2,0,1]=4 15 B6R0.1 CNC(=O)COC WXVL_AK00442SB0090 [0,0,1,0,0,0|2,0,1]=4 16 B6R0.1 CNC(=O)CSC WXVL_AK00442SB1267 [0,0,1,0,0,0|2,0,1]=4 17 B6R0.1 CNC(=O)CSC WXVL_AK00442SB1267 [0,0,1,0,0,0|2,0,1]=4 18 B6R0.4 C#CCCC(=O)N WXVL_AK0084SB2189 [0,0,1,0,0,0|1,0,2]=4 19 B6R0.4 C#CCCC(=O)N WXVL_AK0084SB2189 [0,0,1,0,0,0|1,0,2]=4 20 B6R0.4 C=CCCC(=O)N WXVL_AK0084SB1035 [0,0,1,0,0,0|1,0,1]=3 21 B6R0.4 C=CCCC(=O)N WXVL_AK0084SB1035 [0,0,1,0,0,0|1,0,1]=3 22 B6R0.4 C=CCNC(=O)C WXVL_AK00561SB0150 [0,0,1,0,0,0|1,0,2]=4 23 B6R0.4 C=CCNC(=O)C WXVL_AK00561SB0150 [0,0,1,0,0,0|1,0,2]=4 24 B6R0.4 CC(=O)NCCF WXVL_AK00466SB0150 [0,0,1,0,0,0|2,0,1]=4 25 B6R0.4 CC(=O)NCCF WXVL_AK00466SB0150 [0,0,1,0,0,0|2,0,1]=4 26 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [0,0,1,0,0,0|1,0,1]=3 27 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [0,0,1,0,0,0|1,0,1]=3 28 B6R0.4 CCOCC(=O)N WXVL_AK0084SB0091 [0,0,1,0,0,0|2,0,1]=4 29 B6R0.4 CCOCC(=O)N WXVL_AK0084SB0091 [0,0,1,0,0,0|2,0,1]=4 30 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [0,0,1,0,0,0|2,0,1]=4 31 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [0,0,1,0,0,0|2,0,1]=4 32 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [0,0,1,0,0,0|2,0,1]=4 33 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [0,0,1,0,0,0|2,0,1]=4 34 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [0,0,1,0,0,0|2,0,1]=4 35 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [0,0,1,0,0,0|2,0,1]=4 36 B6R0.4 NC(=O)/C=C/CBr WXVL_AK0084SB0424 [0,0,1,0,0,0|2,0,0]=3 37 B6R0.4 NC(=O)/C=C/CBr WXVL_AK0084SB0424 [0,0,1,0,0,0|2,0,0]=3 38 B5R0.1 C/C=C/C(=O)N WXVL_AK0084SB0340 [1,0,1,0,0,0|1,0,0]=3 39 B5R0.1 C/C=C/C(=O)N WXVL_AK0084SB0340 [1,0,1,0,0,0|1,0,0]=3 40 B5R0.1 C=CCC(=O)N WXVL_AK0084SB2732 [1,0,1,0,0,0|1,0,1]=4 41 B5R0.1 C=CCC(=O)N WXVL_AK0084SB2732 [1,0,1,0,0,0|1,0,1]=4 42 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [1,0,1,0,0,0|1,0,0]=3 43 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [1,0,1,0,0,0|1,0,0]=3 44 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [1,0,1,0,0,0|1,0,0]=3 45 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [1,0,1,0,0,0|1,0,0]=3 46 B5R0.1 COCC(=O)N WXVL_AK0084SB0090 [1,0,1,0,0,0|2,0,0]=4 47 B5R0.1 COCC(=O)N WXVL_AK0084SB0090 [1,0,1,0,0,0|2,0,0]=4 48 B5R0.1 CSCC(=O)N WXVL_AK0084SB1267 [1,0,1,0,0,0|2,0,0]=4 49 B5R0.1 CSCC(=O)N WXVL_AK0084SB1267 [1,0,1,0,0,0|2,0,0]=4 50 B5R0.3 CCC(=O)NC WXVL_AK00442SB0064 [1,0,1,0,0,0|1,0,0]=3 51 B5R0.3 CCC(=O)NC WXVL_AK00442SB0064 [1,0,1,0,0,0|1,0,0]=3 52 B5R0.3 CNC(=O)CO WXVL_AK00442SB2706 [1,0,1,0,0,0|2,0,0]=4 53 B5R0.3 CNC(=O)CO WXVL_AK00442SB2706 [1,0,1,0,0,0|2,0,0]=4 54 B7R0.2 CCC(=O)NC(C)C WXVL_AK0030SB0064 [0,1,1,0,0,0|1,0,1]=4 55 B7R0.2 CCC(=O)NC(C)C WXVL_AK0030SB0064 [0,1,1,0,0,0|1,0,1]=4 56 B7R0.2 CNC(=O)C=C(C)C WXVL_AK00442SB0342 [0,1,1,0,0,0|1,0,0]=3 57 B7R0.2 CNC(=O)C=C(C)C WXVL_AK00442SB0342 [0,1,1,0,0,0|1,0,0]=3 58 B7R0.2 CNC(=O)CC(C)C WXVL_AK00442SB0063 [0,1,1,0,0,0|1,0,1]=4 59 B7R0.2 CNC(=O)CC(C)C WXVL_AK00442SB0063 [0,1,1,0,0,0|1,0,1]=4 60 B7R0.2 CNC(=O)CC(C)O WXVL_AK00442SB3643 [0,1,1,0,0,0|1,0,1]=4 61 B7R0.2 CNC(=O)CC(C)O WXVL_AK00442SB3643 [0,1,1,0,0,0|1,0,1]=4 62 B7R0.3 C#CC(=O)NCCC WXVL_AK00504SB0338 [0,1,1,0,0,0|0,0,2]=4 63 B7R0.3 C#CC(=O)NCCC WXVL_AK00504SB0338 [0,1,1,0,0,0|0,0,2]=4 64 B7R0.3 C=CCNC(=O)CC WXVL_AK00561SB0064 [0,1,1,0,0,0|0,0,2]=4 65 B7R0.3 C=CCNC(=O)CC WXVL_AK00561SB0064 [0,1,1,0,0,0|0,0,2]=4 66 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [0,1,1,0,0,0|1,0,1]=4 67 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [0,1,1,0,0,0|1,0,1]=4 68 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [0,1,1,0,0,0|0,0,2]=4 69 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [0,1,1,0,0,0|0,0,2]=4 70 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [0,1,1,0,0,0|1,0,1]=4 71 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [0,1,1,0,0,0|1,0,1]=4 72 B7R0.3 CCOCC(=O)NC WXVL_AK00442SB0091 [0,1,1,0,0,0|1,0,1]=4 73 B7R0.3 CCOCC(=O)NC WXVL_AK00442SB0091 [0,1,1,0,0,0|1,0,1]=4 74 B7R0.3 CCSCC(=O)NC WXVL_AK00442SB0002 [0,1,1,0,0,0|1,0,1]=4 75 B7R0.3 CCSCC(=O)NC WXVL_AK00442SB0002 [0,1,1,0,0,0|1,0,1]=4 76 B7R0.3 CNC(=O)/C=C/CBr WXVL_AK00442SB0424 [0,1,1,0,0,0|1,0,0]=3 77 B7R0.3 CNC(=O)/C=C/CBr WXVL_AK00442SB0424 [0,1,1,0,0,0|1,0,0]=3 78 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [0,1,1,0,0,0|1,0,1]=4 79 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [0,1,1,0,0,0|1,0,1]=4 80 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [0,1,1,0,0,0|1,0,1]=4 81 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [0,1,1,0,0,0|1,0,1]=4 82 B7R0.5 C/C=C/C(=O)N(C)C WXVL_AN0032SB0340 [0,1,1,0,0,0|1,0,0]=3 83 B7R0.5 C/C=C/C(=O)N(C)C WXVL_AN0032SB0340 [0,1,1,0,0,0|1,0,0]=3 84 B7R0.5 C=C(F)C(=O)NCC WXVL_AK00476SB1376 [0,1,1,0,0,0|1,0,0]=3 85 B7R0.5 C=C(F)C(=O)NCC WXVL_AK00476SB1376 [0,1,1,0,0,0|1,0,0]=3 86 B7R0.5 CCCC(=O)N(C)C WXVL_AN0032SB0073 [0,1,1,0,0,0|1,0,1]=4 87 B7R0.5 CCCC(=O)N(C)C WXVL_AN0032SB0073 [0,1,1,0,0,0|1,0,1]=4 88 B7R0.5 CCNC(=O)C(=O)C WXVL_AK00476SB0051 [0,1,1,0,0,0|1,0,1]=4 89 B7R0.5 CCNC(=O)C(=O)C WXVL_AK00476SB0051 [0,1,1,0,0,0|1,0,1]=4 90 B7R0.5 CCNC(=O)C(=O)N WXVL_AK00476SB0128 [0,1,1,0,0,0|2,0,0]=4 91 B7R0.5 CCNC(=O)C(=O)N WXVL_AK00476SB0128 [0,1,1,0,0,0|2,0,0]=4 92 B7R0.5 CCNC(=O)C(C)C WXVL_AK00476SB0052 [0,1,1,0,0,0|1,0,1]=4 93 B7R0.5 CCNC(=O)C(C)C WXVL_AK00476SB0052 [0,1,1,0,0,0|1,0,1]=4 94 B7R0.5 CCNC(=O)C(C)S WXVL_AK00476SB2708 [0,1,1,0,0,0|1,0,1]=4 95 B7R0.5 CCNC(=O)C(C)S WXVL_AK00476SB2708 [0,1,1,0,0,0|1,0,1]=4 96 B7R0.5 CCNC(=O)[C@@H](C)O WXVL_AK00476SB1085 [0,1,1,0,0,0|1,0,1]=4 97 B7R0.5 CCNC(=O)[C@@H](C)O WXVL_AK00476SB1085 [0,1,1,0,0,0|1,0,1]=4 98 B7R0.5 CCOC(=O)C(=O)N WXVL_AK0084SB4144 [0,1,1,0,0,0|2,0,0]=4 99 B7R0.5 CCOC(=O)C(=O)N WXVL_AK0084SB4144 [0,1,1,0,0,0|2,0,0]=4 100 B7R0.7 C/C=C/C(=O)NCC WXVL_AK00476SB0340 [0,1,1,0,0,0|0,0,0]=2 101 B7R0.7 C/C=C/C(=O)NCC WXVL_AK00476SB0340 [0,1,1,0,0,0|0,0,0]=2 102 B7R0.7 C=CCC(=O)NCC WXVL_AK00476SB2732 [0,1,1,0,0,0|1,0,0]=3 103 B7R0.7 C=CCC(=O)NCC WXVL_AK00476SB2732 [0,1,1,0,0,0|1,0,0]=3 104 B7R0.7 CC#CC(=O)NCC WXVL_AK00476SB1240 [0,1,1,0,0,0|0,0,2]=4 105 B7R0.7 CC#CC(=O)NCC WXVL_AK00476SB1240 [0,1,1,0,0,0|0,0,2]=4 106 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [0,1,1,0,0,0|0,0,2]=4 107 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [0,1,1,0,0,0|0,0,2]=4 108 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [0,1,1,0,0,0|1,0,1]=4 109 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [0,1,1,0,0,0|1,0,1]=4 110 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [0,1,1,0,0,0|1,0,1]=4 111 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [0,1,1,0,0,0|1,0,1]=4 112 B7R0.10 C/C=C(\C)/C(=O)NC WXVL_AK00442SB0343 [0,1,1,0,0,0|1,0,0]=3 113 B7R0.10 C/C=C(\C)/C(=O)NC WXVL_AK00442SB0343 [0,1,1,0,0,0|1,0,0]=3 114 B7R0.10 CCC(=O)C(=O)NC WXVL_AK00442SB0344 [0,1,1,0,0,0|1,0,0]=3 115 B7R0.10 CCC(=O)C(=O)NC WXVL_AK00442SB0344 [0,1,1,0,0,0|1,0,0]=3 116 B7R0.10 CCC(C)C(=O)NC WXVL_AK00442SB0054 [0,1,1,0,0,0|1,0,1]=4 117 B7R0.10 CCC(C)C(=O)NC WXVL_AK00442SB0054 [0,1,1,0,0,0|1,0,1]=4 118 B7R0.10 CC[C@@H](C)C(=O)NC WXVL_AK00442SB00054 [0,1,1,0,0,0|1,0,1]=4 119 B7R0.10 CC[C@@H](C)C(=O)NC WXVL_AK00442SB00054 [0,1,1,0,0,0|1,0,1]=4 120 B7R0.10 CC[C@H](O)C(=O)NC WXVL_AK00442SB3573 [0,1,1,0,0,0|1,0,1]=4 121 B7R0.10 CC[C@H](O)C(=O)NC WXVL_AK00442SB3573 [0,1,1,0,0,0|1,0,1]=4 122 B7R0.4 C#CCCCC(=O)N WXVL_AK0084SB2709 [0,1,1,0,0,0|1,0,1]=4 123 B7R0.4 C#CCCCC(=O)N WXVL_AK0084SB2709 [0,1,1,0,0,0|1,0,1]=4 124 B7R0.4 C/C=C/C=C/C(=O)N WXVL_AK0084SB0348 [0,1,1,0,0,0|1,0,1]=4 125 B7R0.4 C/C=C/C=C/C(=O)N WXVL_AK0084SB0348 [0,1,1,0,0,0|1,0,1]=4 126 B7R0.4 C=CCCCC(=O)N WXVL_AK0084SB2920 [0,1,1,0,0,0|1,0,0]=3 127 B7R0.4 C=CCCCC(=O)N WXVL_AK0084SB2920 [0,1,1,0,0,0|1,0,0]=3 128 B7R0.4 C=CCCNC(=O)C WXVL_AK00138SB0150 [0,1,1,0,0,0|0,0,2]=4 129 B7R0.4 C=CCCNC(=O)C WXVL_AK00138SB0150 [0,1,1,0,0,0|0,0,2]=4 130 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [0,1,1,0,0,0|1,0,1]=4 131 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [0,1,1,0,0,0|1,0,1]=4 132 B7R0.4 CC/C=C/CC(=O)N WXVL_AK0084SB0349 [0,1,1,0,0,0|1,0,0]=3 133 B7R0.4 CC/C=C/CC(=O)N WXVL_AK0084SB0349 [0,1,1,0,0,0|1,0,0]=3 134 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [0,1,1,0,0,0|0,0,2]=4 135 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [0,1,1,0,0,0|0,0,2]=4 136 B7R0.4 CCO/C=C/C(=O)N WXVL_AK0084SB3226 [0,1,1,0,0,0|1,0,0]=3 137 B7R0.4 CCO/C=C/C(=O)N WXVL_AK0084SB3226 [0,1,1,0,0,0|1,0,0]=3 138 B7R0.4 CSCCNC(=O)C WXVL_AK00440SB0150 [0,1,1,0,0,0|1,0,1]=4 139 B7R0.4 CSCCNC(=O)C WXVL_AK00440SB0150 [0,1,1,0,0,0|1,0,1]=4 140 B7R0.4 NC(=O)CCCCBr WXVL_AK0084SB3153 [0,1,1,0,0,0|1,0,1]=4 141 B7R0.4 NC(=O)CCCCBr WXVL_AK0084SB3153 [0,1,1,0,0,0|1,0,1]=4 142 B7R0.4 NC(=O)CCCCCl WXVL_AK0084SB0379 [0,1,1,0,0,0|1,0,1]=4 143 B7R0.4 NC(=O)CCCCCl WXVL_AK0084SB0379 [0,1,1,0,0,0|1,0,1]=4 144 B7R0.6 CC(=O)NCC(C)C WXVL_AK00544SB0150 [0,1,1,0,0,0|1,0,1]=4 145 B7R0.6 CC(=O)NCC(C)C WXVL_AK00544SB0150 [0,1,1,0,0,0|1,0,1]=4 146 B7R0.6 CC(=O)NCC(C)O WXVL_AK0052SB0150 [0,1,1,0,0,0|1,0,1]=4 147 B7R0.6 CC(=O)NCC(C)O WXVL_AK0052SB0150 [0,1,1,0,0,0|1,0,1]=4 148 B7R0.6 CC(=O)NC[C@H](C)O WXVL_AK0113SB0150 [0,1,1,0,0,0|1,0,1]=4 149 B7R0.6 CC(=O)NC[C@H](C)O WXVL_AK0113SB0150 [0,1,1,0,0,0|1,0,1]=4 150 B7R0.6 CC(C)/C=C/C(=O)N WXVL_AK0084SB0036 [0,1,1,0,0,0|1,0,0]=3 151 B7R0.6 CC(C)/C=C/C(=O)N WXVL_AK0084SB0036 [0,1,1,0,0,0|1,0,0]=3 152 B7R0.6 CC(C)CCC(=O)N WXVL_AK0084SB0354 [0,1,1,0,0,0|1,0,1]=4 153 B7R0.6 CC(C)CCC(=O)N WXVL_AK0084SB0354 [0,1,1,0,0,0|1,0,1]=4 154 B9R1.6 NC(=O)C1=CCCCO1 WXVL_AK0084SB4858 [0,2,0,0,0,0|1,0,1]=4 155 B9R1.6 NC(=O)C1=CCCCO1 WXVL_AK0084SB4858 [0,2,0,0,0,0|1,0,1]=4 156 B9R1.6 NC(=O)C1=COCCC1 WXVL_AK0084SB2928 [0,2,0,0,0,0|1,0,0]=3 157 B9R1.6 NC(=O)C1=COCCC1 WXVL_AK0084SB2928 [0,2,0,0,0,0|1,0,0]=3 158 B7R1.22 CNC(=O)C1CC1 WXVL_AK00442SB0038 [0,0,1,1,0,0|1,0,1]=4 159 B7R1.22 CNC(=O)C1CC1 WXVL_AK00442SB0038 [0,0,1,1,0,0|1,0,1]=4 160 B7R1.12 CC1CC1C(=O)N WXVL_AK0084SB0041 [0,0,1,1,0,0|1,0,1]=4 161 B7R1.12 CC1CC1C(=O)N WXVL_AK0084SB0041 [0,0,1,1,0,0|1,0,1]=4 162 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F WXVL_AK0084SB1245 [0,0,1,1,0,0|2,0,0]=4 163 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F WXVL_AK0084SB1245 [0,0,1,1,0,0|2,0,0]=4 164 B7R1.12 NC(=O)[C@H]1C[C@H]1F WXVL_AK0084SB00019 [0,0,1,1,0,0|2,0,0]=4 165 B7R1.12 NC(=O)[C@H]1C[C@H]1F WXVL_AK0084SB00019 [0,0,1,1,0,0|2,0,0]=4 166 B7R1.18 NC(=O)C1CCC1 WXVL_AK0084SB0042 [0,0,1,1,0,0|1,0,1]=4 167 B7R1.18 NC(=O)C1CCC1 WXVL_AK0084SB0042 [0,0,1,1,0,0|1,0,1]=4 168 B7R1.20 CC(=O)NC1CC1 WXVL_AK0001SB0150 [0,0,1,1,0,0|1,0,1]=4 169 B7R1.20 CC(=O)NC1CC1 WXVL_AK0001SB0150 [0,0,1,1,0,0|1,0,1]=4 170 B7R1.20 NC(=O)CC1CC1 WXVL_AK0084SB0155 [0,0,1,1,0,0|1,0,1]=4 171 B7R1.20 NC(=O)CC1CC1 WXVL_AK0084SB0155 [0,0,1,1,0,0|1,0,1]=4