0 B6R0.1 C#CC(=O)NCC WXVL_AK00476SB0338 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.1 C#CC(=O)NCC WXVL_AK00476SB0338 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.1 C#CCC(=O)NC WXVL_AK00442SB3070 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.1 C#CCC(=O)NC WXVL_AK00442SB3070 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.1 C/C=C/C(=O)NC WXVL_AK00442SB0340 [0,0,0,0,0,0|1,0,2]=3 5 B6R0.1 C/C=C/C(=O)NC WXVL_AK00442SB0340 [0,0,0,0,0,0|1,0,2]=3 6 B6R0.1 C=CCC(=O)NC WXVL_AK00442SB2732 [0,0,0,0,0,0|1,0,2]=3 7 B6R0.1 C=CCC(=O)NC WXVL_AK00442SB2732 [0,0,0,0,0,0|1,0,2]=3 8 B6R0.1 CC#CC(=O)NC WXVL_AK00442SB1240 [0,0,0,0,0,0|1,0,2]=3 9 B6R0.1 CC#CC(=O)NC WXVL_AK00442SB1240 [0,0,0,0,0,0|1,0,2]=3 10 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [0,0,0,0,0,0|1,0,0]=1 11 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [0,0,0,0,0,0|1,0,0]=1 12 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [0,0,0,0,0,0|1,0,0]=1 13 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [0,0,0,0,0,0|1,0,0]=1 14 B6R0.1 CCNC(=O)CO WXVL_AK00476SB2706 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.1 CCNC(=O)CO WXVL_AK00476SB2706 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.1 CNC(=O)CC#N WXVL_AK00442SB0057 [0,0,0,0,0,0|2,0,1]=3 17 B6R0.1 CNC(=O)CC#N WXVL_AK00442SB0057 [0,0,0,0,0,0|2,0,1]=3 18 B6R0.1 CNC(=O)COC WXVL_AK00442SB0090 [0,0,0,0,0,0|2,0,0]=2 19 B6R0.1 CNC(=O)COC WXVL_AK00442SB0090 [0,0,0,0,0,0|2,0,0]=2 20 B6R0.1 CNC(=O)CSC WXVL_AK00442SB1267 [0,0,0,0,0,0|2,0,0]=2 21 B6R0.1 CNC(=O)CSC WXVL_AK00442SB1267 [0,0,0,0,0,0|2,0,0]=2 22 B5R0.1 C#CCC(=O)N WXVL_AK0084SB3070 [1,0,0,0,0,0|1,0,2]=4 23 B5R0.1 C#CCC(=O)N WXVL_AK0084SB3070 [1,0,0,0,0,0|1,0,2]=4 24 B5R0.1 C/C=C/C(=O)N WXVL_AK0084SB0340 [1,0,0,0,0,0|1,0,2]=4 25 B5R0.1 C/C=C/C(=O)N WXVL_AK0084SB0340 [1,0,0,0,0,0|1,0,2]=4 26 B5R0.1 C=CCC(=O)N WXVL_AK0084SB2732 [1,0,0,0,0,0|1,0,2]=4 27 B5R0.1 C=CCC(=O)N WXVL_AK0084SB2732 [1,0,0,0,0,0|1,0,2]=4 28 B5R0.1 CC#CC(=O)N WXVL_AK0084SB1240 [1,0,0,0,0,0|1,0,2]=4 29 B5R0.1 CC#CC(=O)N WXVL_AK0084SB1240 [1,0,0,0,0,0|1,0,2]=4 30 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [1,0,0,0,0,0|1,0,0]=2 31 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [1,0,0,0,0,0|1,0,0]=2 32 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [1,0,0,0,0,0|1,0,0]=2 33 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [1,0,0,0,0,0|1,0,0]=2 34 B5R0.1 COCC(=O)N WXVL_AK0084SB0090 [1,0,0,0,0,0|2,0,0]=3 35 B5R0.1 COCC(=O)N WXVL_AK0084SB0090 [1,0,0,0,0,0|2,0,0]=3 36 B5R0.1 CSCC(=O)N WXVL_AK0084SB1267 [1,0,0,0,0,0|2,0,0]=3 37 B5R0.1 CSCC(=O)N WXVL_AK0084SB1267 [1,0,0,0,0,0|2,0,0]=3 38 B5R0.1 N#CCC(=O)N WXVL_AK0084SB0057 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.1 N#CCC(=O)N WXVL_AK0084SB0057 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.3 C#CC(=O)NC WXVL_AK00442SB0338 [1,0,0,0,0,0|1,0,2]=4 41 B5R0.3 C#CC(=O)NC WXVL_AK00442SB0338 [1,0,0,0,0,0|1,0,2]=4 42 B5R0.3 CCC(=O)NC WXVL_AK00442SB0064 [1,0,0,0,0,0|1,0,0]=2 43 B5R0.3 CCC(=O)NC WXVL_AK00442SB0064 [1,0,0,0,0,0|1,0,0]=2 44 B5R0.3 CNC(=O)CO WXVL_AK00442SB2706 [1,0,0,0,0,0|2,0,0]=3 45 B5R0.3 CNC(=O)CO WXVL_AK00442SB2706 [1,0,0,0,0,0|2,0,0]=3 46 B7R0.2 C#CC(=O)NC(C)C WXVL_AK0030SB0338 [0,1,0,0,0,0|1,0,2]=4 47 B7R0.2 C#CC(=O)NC(C)C WXVL_AK0030SB0338 [0,1,0,0,0,0|1,0,2]=4 48 B7R0.2 CC(C)NC(=O)CO WXVL_AK0030SB2706 [0,1,0,0,0,0|2,0,0]=3 49 B7R0.2 CC(C)NC(=O)CO WXVL_AK0030SB2706 [0,1,0,0,0,0|2,0,0]=3 50 B7R0.2 CCC(=O)NC(C)C WXVL_AK0030SB0064 [0,1,0,0,0,0|1,0,0]=2 51 B7R0.2 CCC(=O)NC(C)C WXVL_AK0030SB0064 [0,1,0,0,0,0|1,0,0]=2 52 B7R0.2 CNC(=O)C=C(C)C WXVL_AK00442SB0342 [0,1,0,0,0,0|1,0,2]=4 53 B7R0.2 CNC(=O)C=C(C)C WXVL_AK00442SB0342 [0,1,0,0,0,0|1,0,2]=4 54 B7R0.2 CNC(=O)CC(C)C WXVL_AK00442SB0063 [0,1,0,0,0,0|1,0,0]=2 55 B7R0.2 CNC(=O)CC(C)C WXVL_AK00442SB0063 [0,1,0,0,0,0|1,0,0]=2 56 B7R0.2 CNC(=O)CC(C)O WXVL_AK00442SB3643 [0,1,0,0,0,0|1,0,0]=2 57 B7R0.2 CNC(=O)CC(C)O WXVL_AK00442SB3643 [0,1,0,0,0,0|1,0,0]=2 58 B7R0.2 CNC(=O)CN(C)C WXVL_AK00442SB0085 [0,1,0,0,0,0|2,0,0]=3 59 B7R0.2 CNC(=O)CN(C)C WXVL_AK00442SB0085 [0,1,0,0,0,0|2,0,0]=3 60 B7R0.2 COC(=O)CC(=O)N WXVL_AK0084SB2790 [0,1,0,0,0,0|2,0,1]=4 61 B7R0.2 COC(=O)CC(=O)N WXVL_AK0084SB2790 [0,1,0,0,0,0|2,0,1]=4 62 B7R0.3 C#CC(=O)NCCC WXVL_AK00504SB0338 [0,1,0,0,0,0|0,0,2]=3 63 B7R0.3 C#CC(=O)NCCC WXVL_AK00504SB0338 [0,1,0,0,0,0|0,0,2]=3 64 B7R0.3 C#CC(=O)NCCF WXVL_AK00466SB0338 [0,1,0,0,0,0|1,0,2]=4 65 B7R0.3 C#CC(=O)NCCF WXVL_AK00466SB0338 [0,1,0,0,0,0|1,0,2]=4 66 B7R0.3 C#CCCC(=O)NC WXVL_AK00442SB2189 [0,1,0,0,0,0|1,0,1]=3 67 B7R0.3 C#CCCC(=O)NC WXVL_AK00442SB2189 [0,1,0,0,0,0|1,0,1]=3 68 B7R0.3 C=CCCC(=O)NC WXVL_AK00442SB1035 [0,1,0,0,0,0|1,0,1]=3 69 B7R0.3 C=CCCC(=O)NC WXVL_AK00442SB1035 [0,1,0,0,0,0|1,0,1]=3 70 B7R0.3 C=CCNC(=O)CC WXVL_AK00561SB0064 [0,1,0,0,0,0|0,0,2]=3 71 B7R0.3 C=CCNC(=O)CC WXVL_AK00561SB0064 [0,1,0,0,0,0|0,0,2]=3 72 B7R0.3 C=CCNC(=O)CO WXVL_AK00561SB2706 [0,1,0,0,0,0|1,0,2]=4 73 B7R0.3 C=CCNC(=O)CO WXVL_AK00561SB2706 [0,1,0,0,0,0|1,0,2]=4 74 B7R0.3 CCC(=O)NCC#N WXVL_AK0683SB0064 [0,1,0,0,0,0|1,0,1]=3 75 B7R0.3 CCC(=O)NCC#N WXVL_AK0683SB0064 [0,1,0,0,0,0|1,0,1]=3 76 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [0,1,0,0,0,0|1,0,0]=2 77 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [0,1,0,0,0,0|1,0,0]=2 78 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [0,1,0,0,0,0|0,0,0]=1 79 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [0,1,0,0,0,0|0,0,0]=1 80 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [0,1,0,0,0,0|1,0,0]=2 81 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [0,1,0,0,0,0|1,0,0]=2 82 B7R0.3 CCOCC(=O)NC WXVL_AK00442SB0091 [0,1,0,0,0,0|1,0,0]=2 83 B7R0.3 CCOCC(=O)NC WXVL_AK00442SB0091 [0,1,0,0,0,0|1,0,0]=2 84 B7R0.3 CCSCC(=O)NC WXVL_AK00442SB0002 [0,1,0,0,0,0|1,0,0]=2 85 B7R0.3 CCSCC(=O)NC WXVL_AK00442SB0002 [0,1,0,0,0,0|1,0,0]=2 86 B7R0.3 CNC(=O)/C=C/CBr WXVL_AK00442SB0424 [0,1,0,0,0,0|1,0,2]=4 87 B7R0.3 CNC(=O)/C=C/CBr WXVL_AK00442SB0424 [0,1,0,0,0,0|1,0,2]=4 88 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [0,1,0,0,0,0|1,0,0]=2 89 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [0,1,0,0,0,0|1,0,0]=2 90 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [0,1,0,0,0,0|1,0,0]=2 91 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [0,1,0,0,0,0|1,0,0]=2 92 B7R0.3 CNC(=O)NCCCl WXVL_AK00442YV0092 [0,1,0,0,0,0|2,0,0]=3 93 B7R0.3 CNC(=O)NCCCl WXVL_AK00442YV0092 [0,1,0,0,0,0|2,0,0]=3 94 B7R0.3 N#CCNC(=O)CO WXVL_AK0683SB2706 [0,1,0,0,0,0|2,0,1]=4 95 B7R0.3 N#CCNC(=O)CO WXVL_AK0683SB2706 [0,1,0,0,0,0|2,0,1]=4 96 B7R0.3 O=C(CO)NCCF WXVL_AK00466SB2706 [0,1,0,0,0,0|2,0,0]=3 97 B7R0.3 O=C(CO)NCCF WXVL_AK00466SB2706 [0,1,0,0,0,0|2,0,0]=3 98 B7R0.5 C#CCC(=O)N(C)C WXVL_AN0032SB3070 [0,1,0,0,0,0|1,0,2]=4 99 B7R0.5 C#CCC(=O)N(C)C WXVL_AN0032SB3070 [0,1,0,0,0,0|1,0,2]=4 100 B7R0.5 C/C=C/C(=O)N(C)C WXVL_AN0032SB0340 [0,1,0,0,0,0|1,0,2]=4 101 B7R0.5 C/C=C/C(=O)N(C)C WXVL_AN0032SB0340 [0,1,0,0,0,0|1,0,2]=4 102 B7R0.5 C=C(F)C(=O)NCC WXVL_AK00476SB1376 [0,1,0,0,0,0|1,0,2]=4 103 B7R0.5 C=C(F)C(=O)NCC WXVL_AK00476SB1376 [0,1,0,0,0,0|1,0,2]=4 104 B7R0.5 C=CCC(=O)N(C)C WXVL_AN0032SB2732 [0,1,0,0,0,0|1,0,2]=4 105 B7R0.5 C=CCC(=O)N(C)C WXVL_AN0032SB2732 [0,1,0,0,0,0|1,0,2]=4 106 B7R0.5 CC#CC(=O)N(C)C WXVL_AN0032SB1240 [0,1,0,0,0,0|1,0,2]=4 107 B7R0.5 CC#CC(=O)N(C)C WXVL_AN0032SB1240 [0,1,0,0,0,0|1,0,2]=4 108 B7R0.5 CCCC(=O)N(C)C WXVL_AN0032SB0073 [0,1,0,0,0,0|1,0,0]=2 109 B7R0.5 CCCC(=O)N(C)C WXVL_AN0032SB0073 [0,1,0,0,0,0|1,0,0]=2 110 B7R0.5 CCNC(=O)C(=O)C WXVL_AK00476SB0051 [0,1,0,0,0,0|1,0,1]=3 111 B7R0.5 CCNC(=O)C(=O)C WXVL_AK00476SB0051 [0,1,0,0,0,0|1,0,1]=3 112 B7R0.5 CCNC(=O)C(=O)N WXVL_AK00476SB0128 [0,1,0,0,0,0|2,0,1]=4 113 B7R0.5 CCNC(=O)C(=O)N WXVL_AK00476SB0128 [0,1,0,0,0,0|2,0,1]=4 114 B7R0.5 CCNC(=O)C(C)C WXVL_AK00476SB0052 [0,1,0,0,0,0|1,0,0]=2 115 B7R0.5 CCNC(=O)C(C)C WXVL_AK00476SB0052 [0,1,0,0,0,0|1,0,0]=2 116 B7R0.5 CCNC(=O)C(C)S WXVL_AK00476SB2708 [0,1,0,0,0,0|1,0,0]=2 117 B7R0.5 CCNC(=O)C(C)S WXVL_AK00476SB2708 [0,1,0,0,0,0|1,0,0]=2 118 B7R0.5 CCNC(=O)C(F)F WXVL_AK00476SB0079 [0,1,0,0,0,0|2,0,0]=3 119 B7R0.5 CCNC(=O)C(F)F WXVL_AK00476SB0079 [0,1,0,0,0,0|2,0,0]=3 120 B7R0.5 CCNC(=O)[C@@H](C)O WXVL_AK00476SB1085 [0,1,0,0,0,0|1,0,0]=2 121 B7R0.5 CCNC(=O)[C@@H](C)O WXVL_AK00476SB1085 [0,1,0,0,0,0|1,0,0]=2 122 B7R0.5 CCOC(=O)C(=O)N WXVL_AK0084SB4144 [0,1,0,0,0,0|2,0,1]=4 123 B7R0.5 CCOC(=O)C(=O)N WXVL_AK0084SB4144 [0,1,0,0,0,0|2,0,1]=4 124 B7R0.5 CN(C)C(=O)CC#N WXVL_AN0032SB0057 [0,1,0,0,0,0|2,0,1]=4 125 B7R0.5 CN(C)C(=O)CC#N WXVL_AN0032SB0057 [0,1,0,0,0,0|2,0,1]=4 126 B7R0.5 COCC(=O)N(C)C WXVL_AN0032SB0090 [0,1,0,0,0,0|2,0,0]=3 127 B7R0.5 COCC(=O)N(C)C WXVL_AN0032SB0090 [0,1,0,0,0,0|2,0,0]=3 128 B7R0.5 CSCC(=O)N(C)C WXVL_AN0032SB1267 [0,1,0,0,0,0|2,0,0]=3 129 B7R0.5 CSCC(=O)N(C)C WXVL_AN0032SB1267 [0,1,0,0,0,0|2,0,0]=3 130 B7R0.7 C#CCC(=O)NCC WXVL_AK00476SB3070 [0,1,0,0,0,0|0,0,2]=3 131 B7R0.7 C#CCC(=O)NCC WXVL_AK00476SB3070 [0,1,0,0,0,0|0,0,2]=3 132 B7R0.7 C/C=C/C(=O)NCC WXVL_AK00476SB0340 [0,1,0,0,0,0|0,0,2]=3 133 B7R0.7 C/C=C/C(=O)NCC WXVL_AK00476SB0340 [0,1,0,0,0,0|0,0,2]=3 134 B7R0.7 C=CCC(=O)NCC WXVL_AK00476SB2732 [0,1,0,0,0,0|0,0,2]=3 135 B7R0.7 C=CCC(=O)NCC WXVL_AK00476SB2732 [0,1,0,0,0,0|0,0,2]=3 136 B7R0.7 CC#CC(=O)NCC WXVL_AK00476SB1240 [0,1,0,0,0,0|0,0,2]=3 137 B7R0.7 CC#CC(=O)NCC WXVL_AK00476SB1240 [0,1,0,0,0,0|0,0,2]=3 138 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [0,1,0,0,0,0|0,0,0]=1 139 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [0,1,0,0,0,0|0,0,0]=1 140 B7R0.7 CCNC(=O)CC#N WXVL_AK00476SB0057 [0,1,0,0,0,0|1,0,1]=3 141 B7R0.7 CCNC(=O)CC#N WXVL_AK00476SB0057 [0,1,0,0,0,0|1,0,1]=3 142 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [0,1,0,0,0,0|1,0,0]=2 143 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [0,1,0,0,0,0|1,0,0]=2 144 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [0,1,0,0,0,0|1,0,0]=2 145 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [0,1,0,0,0,0|1,0,0]=2 146 B7R0.10 C/C=C(\C)/C(=O)NC WXVL_AK00442SB0343 [0,1,0,0,0,0|1,0,2]=4 147 B7R0.10 C/C=C(\C)/C(=O)NC WXVL_AK00442SB0343 [0,1,0,0,0,0|1,0,2]=4 148 B7R0.10 CCC(=O)C(=O)NC WXVL_AK00442SB0344 [0,1,0,0,0,0|1,0,1]=3 149 B7R0.10 CCC(=O)C(=O)NC WXVL_AK00442SB0344 [0,1,0,0,0,0|1,0,1]=3 150 B7R0.10 CCC(C)C(=O)NC WXVL_AK00442SB0054 [0,1,0,0,0,0|1,0,0]=2 151 B7R0.10 CCC(C)C(=O)NC WXVL_AK00442SB0054 [0,1,0,0,0,0|1,0,0]=2 152 B7R0.10 CC[C@@H](C)C(=O)NC WXVL_AK00442SB00054 [0,1,0,0,0,0|1,0,0]=2 153 B7R0.10 CC[C@@H](C)C(=O)NC WXVL_AK00442SB00054 [0,1,0,0,0,0|1,0,0]=2 154 B7R0.10 CC[C@H](O)C(=O)NC WXVL_AK00442SB3573 [0,1,0,0,0,0|1,0,0]=2 155 B7R0.10 CC[C@H](O)C(=O)NC WXVL_AK00442SB3573 [0,1,0,0,0,0|1,0,0]=2 156 B7R0.10 CNC(=O)[C@@H](C)OC WXVL_AK00442SB2926 [0,1,0,0,0,0|2,0,0]=3 157 B7R0.10 CNC(=O)[C@@H](C)OC WXVL_AK00442SB2926 [0,1,0,0,0,0|2,0,0]=3 158 B7R0.11 CCCS(=O)(=O)NC WXVL_AK00442HU0030 [0,1,0,0,0,0|2,0,0]=3 159 B7R0.11 CCCS(=O)(=O)NC WXVL_AK00442HU0030 [0,1,0,0,0,0|2,0,0]=3 160 B7R0.11 CCNS(=O)(=O)CC WXVL_AK00476HU0028 [0,1,0,0,0,0|2,0,0]=3 161 B7R0.11 CCNS(=O)(=O)CC WXVL_AK00476HU0028 [0,1,0,0,0,0|2,0,0]=3 162 B7R0.11 CNS(=O)(=O)CCBr WXVL_AK00442HU0461 [0,1,0,0,0,0|3,0,0]=4 163 B7R0.11 CNS(=O)(=O)CCBr WXVL_AK00442HU0461 [0,1,0,0,0,0|3,0,0]=4 164 B7R0.11 CNS(=O)(=O)CCCl WXVL_AK00442HU0029 [0,1,0,0,0,0|3,0,0]=4 165 B7R0.11 CNS(=O)(=O)CCCl WXVL_AK00442HU0029 [0,1,0,0,0,0|3,0,0]=4 166 B7R1.22 CNC(=O)C1CC1 WXVL_AK00442SB0038 [0,0,0,1,0,0|1,0,0]=2 167 B7R1.22 CNC(=O)C1CC1 WXVL_AK00442SB0038 [0,0,0,1,0,0|1,0,0]=2 168 B4R0.1 CCC(=O)N WXVL_AK0084SB0064 [2,0,0,0,0,0|1,0,0]=3 169 B4R0.1 CCC(=O)N WXVL_AK0084SB0064 [2,0,0,0,0,0|1,0,0]=3 170 B4R0.1 CNC(=O)C WXVL_AK00442SB0150 [2,0,0,0,0,0|1,0,0]=3 171 B4R0.1 CNC(=O)C WXVL_AK00442SB0150 [2,0,0,0,0,0|1,0,0]=3 172 B4R0.1 NC(=O)CO WXVL_AK0084SB2706 [2,0,0,0,0,0|2,0,0]=4 173 B4R0.1 NC(=O)CO WXVL_AK0084SB2706 [2,0,0,0,0,0|2,0,0]=4 174 B6R0.2 CC(=O)NC(C)C WXVL_AK0030SB0150 [1,1,0,0,0,0|1,0,0]=3 175 B6R0.2 CC(=O)NC(C)C WXVL_AK0030SB0150 [1,1,0,0,0,0|1,0,0]=3 176 B6R0.2 CC(C)CC(=O)N WXVL_AK0084SB0063 [1,1,0,0,0,0|1,0,0]=3 177 B6R0.2 CC(C)CC(=O)N WXVL_AK0084SB0063 [1,1,0,0,0,0|1,0,0]=3 178 B6R0.2 CC(O)CC(=O)N WXVL_AK0084SB3643 [1,1,0,0,0,0|1,0,0]=3 179 B6R0.2 CC(O)CC(=O)N WXVL_AK0084SB3643 [1,1,0,0,0,0|1,0,0]=3 180 B6R0.2 CN(C)CC(=O)N WXVL_AK0084SB0085 [1,1,0,0,0,0|2,0,0]=4 181 B6R0.2 CN(C)CC(=O)N WXVL_AK0084SB0085 [1,1,0,0,0,0|2,0,0]=4 182 B6R0.3 CCC(=O)C(=O)N WXVL_AK0084SB0344 [1,1,0,0,0,0|1,0,1]=4 183 B6R0.3 CCC(=O)C(=O)N WXVL_AK0084SB0344 [1,1,0,0,0,0|1,0,1]=4 184 B6R0.3 CCC(C)C(=O)N WXVL_AK0084SB0054 [1,1,0,0,0,0|1,0,0]=3 185 B6R0.3 CCC(C)C(=O)N WXVL_AK0084SB0054 [1,1,0,0,0,0|1,0,0]=3 186 B6R0.3 CC[C@@H](C)C(=O)N WXVL_AK0084SB00054 [1,1,0,0,0,0|1,0,0]=3 187 B6R0.3 CC[C@@H](C)C(=O)N WXVL_AK0084SB00054 [1,1,0,0,0,0|1,0,0]=3 188 B6R0.3 CC[C@H](O)C(=O)N WXVL_AK0084SB3573 [1,1,0,0,0,0|1,0,0]=3 189 B6R0.3 CC[C@H](O)C(=O)N WXVL_AK0084SB3573 [1,1,0,0,0,0|1,0,0]=3 190 B6R0.3 CNC(=O)C(=O)C WXVL_AK00442SB0051 [1,1,0,0,0,0|1,0,1]=4 191 B6R0.3 CNC(=O)C(=O)C WXVL_AK00442SB0051 [1,1,0,0,0,0|1,0,1]=4 192 B6R0.3 CO[C@H](C)C(=O)N WXVL_AK0084SB2926 [1,1,0,0,0,0|2,0,0]=4 193 B6R0.3 CO[C@H](C)C(=O)N WXVL_AK0084SB2926 [1,1,0,0,0,0|2,0,0]=4 194 B6R0.4 C#CCCC(=O)N WXVL_AK0084SB2189 [1,1,0,0,0,0|1,0,1]=4 195 B6R0.4 C#CCCC(=O)N WXVL_AK0084SB2189 [1,1,0,0,0,0|1,0,1]=4 196 B6R0.4 C=CCCC(=O)N WXVL_AK0084SB1035 [1,1,0,0,0,0|1,0,1]=4 197 B6R0.4 C=CCCC(=O)N WXVL_AK0084SB1035 [1,1,0,0,0,0|1,0,1]=4 198 B6R0.4 C=CCNC(=O)C WXVL_AK00561SB0150 [1,1,0,0,0,0|0,0,2]=4 199 B6R0.4 C=CCNC(=O)C WXVL_AK00561SB0150 [1,1,0,0,0,0|0,0,2]=4 200 B6R0.4 CC(=O)NCC#N WXVL_AK0683SB0150 [1,1,0,0,0,0|1,0,1]=4 201 B6R0.4 CC(=O)NCC#N WXVL_AK0683SB0150 [1,1,0,0,0,0|1,0,1]=4 202 B6R0.4 CC(=O)NCCF WXVL_AK00466SB0150 [1,1,0,0,0,0|1,0,0]=3 203 B6R0.4 CC(=O)NCCF WXVL_AK00466SB0150 [1,1,0,0,0,0|1,0,0]=3 204 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [1,1,0,0,0,0|0,0,0]=2 205 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [1,1,0,0,0,0|0,0,0]=2 206 B6R0.4 CCOCC(=O)N WXVL_AK0084SB0091 [1,1,0,0,0,0|1,0,0]=3 207 B6R0.4 CCOCC(=O)N WXVL_AK0084SB0091 [1,1,0,0,0,0|1,0,0]=3 208 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [1,1,0,0,0,0|1,0,0]=3 209 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [1,1,0,0,0,0|1,0,0]=3 210 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [1,1,0,0,0,0|1,0,0]=3 211 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [1,1,0,0,0,0|1,0,0]=3 212 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [1,1,0,0,0,0|1,0,0]=3 213 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [1,1,0,0,0,0|1,0,0]=3 214 B6R0.5 CCCS(=O)(=O)N WXVL_AK0084HU0030 [1,1,0,0,0,0|2,0,0]=4 215 B6R0.5 CCCS(=O)(=O)N WXVL_AK0084HU0030 [1,1,0,0,0,0|2,0,0]=4 216 B6R0.8 CCS(=O)(=O)NC WXVL_AK00442HU0028 [1,1,0,0,0,0|2,0,0]=4 217 B6R0.8 CCS(=O)(=O)NC WXVL_AK00442HU0028 [1,1,0,0,0,0|2,0,0]=4 218 B8R0.2 CC(C)N(C)C(=O)CO WXVL_AN0073SB2706 [0,2,0,0,0,0|2,0,0]=4 219 B8R0.2 CC(C)N(C)C(=O)CO WXVL_AN0073SB2706 [0,2,0,0,0,0|2,0,0]=4 220 B8R0.2 CCC(=O)C(=O)N(C)C WXVL_AN0032SB0344 [0,2,0,0,0,0|1,0,1]=4 221 B8R0.2 CCC(=O)C(=O)N(C)C WXVL_AN0032SB0344 [0,2,0,0,0,0|1,0,1]=4 222 B8R0.2 CCC(=O)N(C)C(C)C WXVL_AN0073SB0064 [0,2,0,0,0,0|1,0,0]=3 223 B8R0.2 CCC(=O)N(C)C(C)C WXVL_AN0073SB0064 [0,2,0,0,0,0|1,0,0]=3 224 B8R0.2 CCC(C)C(=O)N(C)C WXVL_AN0032SB0054 [0,2,0,0,0,0|1,0,0]=3 225 B8R0.2 CCC(C)C(=O)N(C)C WXVL_AN0032SB0054 [0,2,0,0,0,0|1,0,0]=3 226 B8R0.2 CC[C@@H](C)C(=O)N(C)C WXVL_AN0032SB00054 [0,2,0,0,0,0|1,0,0]=3 227 B8R0.2 CC[C@@H](C)C(=O)N(C)C WXVL_AN0032SB00054 [0,2,0,0,0,0|1,0,0]=3 228 B8R0.2 CC[C@H](O)C(=O)N(C)C WXVL_AN0032SB3573 [0,2,0,0,0,0|1,0,0]=3 229 B8R0.2 CC[C@H](O)C(=O)N(C)C WXVL_AN0032SB3573 [0,2,0,0,0,0|1,0,0]=3 230 B8R0.2 CNC(=O)C(=O)C(C)C WXVL_AK00442SB2578 [0,2,0,0,0,0|1,0,1]=4 231 B8R0.2 CNC(=O)C(=O)C(C)C WXVL_AK00442SB2578 [0,2,0,0,0,0|1,0,1]=4 232 B8R0.2 CNC(=O)C(O)C(C)C WXVL_AK00442SB1147 [0,2,0,0,0,0|1,0,0]=3 233 B8R0.2 CNC(=O)C(O)C(C)C WXVL_AK00442SB1147 [0,2,0,0,0,0|1,0,0]=3 234 B8R0.2 CO[C@H](C)C(=O)N(C)C WXVL_AN0032SB2926 [0,2,0,0,0,0|2,0,0]=4 235 B8R0.2 CO[C@H](C)C(=O)N(C)C WXVL_AN0032SB2926 [0,2,0,0,0,0|2,0,0]=4 236 B8R0.5 C#CCC(=O)NC(C)C WXVL_AK0030SB3070 [0,2,0,0,0,0|0,0,2]=4 237 B8R0.5 C#CCC(=O)NC(C)C WXVL_AK0030SB3070 [0,2,0,0,0,0|0,0,2]=4 238 B8R0.5 C/C=C/C(=O)NC(C)C WXVL_AK0030SB0340 [0,2,0,0,0,0|0,0,2]=4 239 B8R0.5 C/C=C/C(=O)NC(C)C WXVL_AK0030SB0340 [0,2,0,0,0,0|0,0,2]=4 240 B8R0.5 C=CCC(=O)NC(C)C WXVL_AK0030SB2732 [0,2,0,0,0,0|0,0,2]=4 241 B8R0.5 C=CCC(=O)NC(C)C WXVL_AK0030SB2732 [0,2,0,0,0,0|0,0,2]=4 242 B8R0.5 CC#CC(=O)NC(C)C WXVL_AK0030SB1240 [0,2,0,0,0,0|0,0,2]=4 243 B8R0.5 CC#CC(=O)NC(C)C WXVL_AK0030SB1240 [0,2,0,0,0,0|0,0,2]=4 244 B8R0.5 CC(C)NC(=O)CC#N WXVL_AK0030SB0057 [0,2,0,0,0,0|1,0,1]=4 245 B8R0.5 CC(C)NC(=O)CC#N WXVL_AK0030SB0057 [0,2,0,0,0,0|1,0,1]=4 246 B8R0.5 CCCC(=O)NC(C)C WXVL_AK0030SB0073 [0,2,0,0,0,0|0,0,0]=2 247 B8R0.5 CCCC(=O)NC(C)C WXVL_AK0030SB0073 [0,2,0,0,0,0|0,0,0]=2 248 B8R0.5 CCNC(=O)C=C(C)C WXVL_AK00476SB0342 [0,2,0,0,0,0|0,0,2]=4 249 B8R0.5 CCNC(=O)C=C(C)C WXVL_AK00476SB0342 [0,2,0,0,0,0|0,0,2]=4 250 B8R0.5 CCNC(=O)CC(C)C WXVL_AK00476SB0063 [0,2,0,0,0,0|0,0,0]=2 251 B8R0.5 CCNC(=O)CC(C)C WXVL_AK00476SB0063 [0,2,0,0,0,0|0,0,0]=2 252 B8R0.5 CCNC(=O)CC(C)O WXVL_AK00476SB3643 [0,2,0,0,0,0|0,0,0]=2 253 B8R0.5 CCNC(=O)CC(C)O WXVL_AK00476SB3643 [0,2,0,0,0,0|0,0,0]=2 254 B8R0.5 CCNC(=O)CN(C)C WXVL_AK00476SB0085 [0,2,0,0,0,0|1,0,0]=3 255 B8R0.5 CCNC(=O)CN(C)C WXVL_AK00476SB0085 [0,2,0,0,0,0|1,0,0]=3 256 B8R0.5 CCOC(=O)CC(=O)N WXVL_AK0084SB3094 [0,2,0,0,0,0|1,0,1]=4 257 B8R0.5 CCOC(=O)CC(=O)N WXVL_AK0084SB3094 [0,2,0,0,0,0|1,0,1]=4 258 B8R0.5 COCC(=O)NC(C)C WXVL_AK0030SB0090 [0,2,0,0,0,0|1,0,0]=3 259 B8R0.5 COCC(=O)NC(C)C WXVL_AK0030SB0090 [0,2,0,0,0,0|1,0,0]=3 260 B8R0.5 CSCC(=O)NC(C)C WXVL_AK0030SB1267 [0,2,0,0,0,0|1,0,0]=3 261 B8R0.5 CSCC(=O)NC(C)C WXVL_AK0030SB1267 [0,2,0,0,0,0|1,0,0]=3 262 B8R0.19 C#CC(=O)N[C@@H](C)CC WXVL_AK00678SB0338 [0,2,0,0,0,0|0,0,2]=4 263 B8R0.19 C#CC(=O)N[C@@H](C)CC WXVL_AK00678SB0338 [0,2,0,0,0,0|0,0,2]=4 264 B8R0.19 C#C[C@@H](C)NC(=O)CC WXVL_AK00735SB0064 [0,2,0,0,0,0|1,0,0]=3 265 B8R0.19 C#C[C@@H](C)NC(=O)CC WXVL_AK00735SB0064 [0,2,0,0,0,0|1,0,0]=3 266 B8R0.19 C#C[C@@H](C)NC(=O)CO WXVL_AK00735SB2706 [0,2,0,0,0,0|2,0,0]=4 267 B8R0.19 C#C[C@@H](C)NC(=O)CO WXVL_AK00735SB2706 [0,2,0,0,0,0|2,0,0]=4 268 B8R0.19 C=CC(C)NC(=O)CC WXVL_AK00769SB0064 [0,2,0,0,0,0|1,0,0]=3 269 B8R0.19 C=CC(C)NC(=O)CC WXVL_AK00769SB0064 [0,2,0,0,0,0|1,0,0]=3 270 B8R0.19 C=CC(C)NC(=O)CO WXVL_AK00769SB2706 [0,2,0,0,0,0|2,0,0]=4 271 B8R0.19 C=CC(C)NC(=O)CO WXVL_AK00769SB2706 [0,2,0,0,0,0|2,0,0]=4 272 B8R0.19 CC(C#N)NC(=O)CO WXVL_AK00810SB2706 [0,2,0,0,0,0|2,0,0]=4 273 B8R0.19 CC(C#N)NC(=O)CO WXVL_AK00810SB2706 [0,2,0,0,0,0|2,0,0]=4 274 B8R0.19 CCC(=O)NC(C)C#N WXVL_AK00810SB0064 [0,2,0,0,0,0|1,0,0]=3 275 B8R0.19 CCC(=O)NC(C)C#N WXVL_AK00810SB0064 [0,2,0,0,0,0|1,0,0]=3 276 B8R0.19 CCC(=O)N[C@@H](C)CC WXVL_AK00678SB0064 [0,2,0,0,0,0|0,0,0]=2 277 B8R0.19 CCC(=O)N[C@@H](C)CC WXVL_AK00678SB0064 [0,2,0,0,0,0|0,0,0]=2 278 B8R0.19 CCC(=O)N[C@@H](C)CF WXVL_AK00558SB0064 [0,2,0,0,0,0|1,0,0]=3 279 B8R0.19 CCC(=O)N[C@@H](C)CF WXVL_AK00558SB0064 [0,2,0,0,0,0|1,0,0]=3 280 B8R0.19 CCC(=O)N[C@@H](C)CO WXVL_AK0109SB0064 [0,2,0,0,0,0|1,0,0]=3 281 B8R0.19 CCC(=O)N[C@@H](C)CO WXVL_AK0109SB0064 [0,2,0,0,0,0|1,0,0]=3 282 B8R0.19 CCC(C)CC(=O)NC WXVL_AK00442SB0353 [0,2,0,0,0,0|1,0,0]=3 283 B8R0.19 CCC(C)CC(=O)NC WXVL_AK00442SB0353 [0,2,0,0,0,0|1,0,0]=3 284 B8R0.19 CCC(O)CC(=O)NC WXVL_AK00442SB4092 [0,2,0,0,0,0|1,0,0]=3 285 B8R0.19 CCC(O)CC(=O)NC WXVL_AK00442SB4092 [0,2,0,0,0,0|1,0,0]=3 286 B8R0.19 CC[C@@H](C)CC(=O)NC WXVL_AK00442SB8650 [0,2,0,0,0,0|1,0,0]=3 287 B8R0.19 CC[C@@H](C)CC(=O)NC WXVL_AK00442SB8650 [0,2,0,0,0,0|1,0,0]=3 288 B8R0.19 CC[C@H](C)NC(=O)CO WXVL_AK00678SB2706 [0,2,0,0,0,0|1,0,0]=3 289 B8R0.19 CC[C@H](C)NC(=O)CO WXVL_AK00678SB2706 [0,2,0,0,0,0|1,0,0]=3 290 B8R0.19 CNC(=O)CC(=O)OC WXVL_AK00442SB2790 [0,2,0,0,0,0|1,0,1]=4 291 B8R0.19 CNC(=O)CC(=O)OC WXVL_AK00442SB2790 [0,2,0,0,0,0|1,0,1]=4 292 B8R0.19 C[C@@H](CF)NC(=O)CO WXVL_AK00558SB2706 [0,2,0,0,0,0|2,0,0]=4 293 B8R0.19 C[C@@H](CF)NC(=O)CO WXVL_AK00558SB2706 [0,2,0,0,0,0|2,0,0]=4 294 B8R0.19 C[C@@H](CO)NC(=O)CO WXVL_AK0109SB2706 [0,2,0,0,0,0|2,0,0]=4 295 B8R0.19 C[C@@H](CO)NC(=O)CO WXVL_AK0109SB2706 [0,2,0,0,0,0|2,0,0]=4 296 B8R0.23 CC(=O)C(=O)NC(C)C WXVL_AK0030SB0051 [0,2,0,0,0,0|1,0,1]=4 297 B8R0.23 CC(=O)C(=O)NC(C)C WXVL_AK0030SB0051 [0,2,0,0,0,0|1,0,1]=4 298 B8R0.23 CC(C)CC(=O)N(C)C WXVL_AN0032SB0063 [0,2,0,0,0,0|1,0,0]=3 299 B8R0.23 CC(C)CC(=O)N(C)C WXVL_AN0032SB0063 [0,2,0,0,0,0|1,0,0]=3 300 B8R0.23 CC(C)NC(=O)C(C)C WXVL_AK0030SB0052 [0,2,0,0,0,0|1,0,0]=3 301 B8R0.23 CC(C)NC(=O)C(C)C WXVL_AK0030SB0052 [0,2,0,0,0,0|1,0,0]=3 302 B8R0.23 CC(C)NC(=O)C(C)S WXVL_AK0030SB2708 [0,2,0,0,0,0|1,0,0]=3 303 B8R0.23 CC(C)NC(=O)C(C)S WXVL_AK0030SB2708 [0,2,0,0,0,0|1,0,0]=3 304 B8R0.23 CC(C)NC(=O)C(F)F WXVL_AK0030SB0079 [0,2,0,0,0,0|2,0,0]=4 305 B8R0.23 CC(C)NC(=O)C(F)F WXVL_AK0030SB0079 [0,2,0,0,0,0|2,0,0]=4 306 B8R0.23 CC(C)NC(=O)[C@@H](C)O WXVL_AK0030SB1085 [0,2,0,0,0,0|1,0,0]=3 307 B8R0.23 CC(C)NC(=O)[C@@H](C)O WXVL_AK0030SB1085 [0,2,0,0,0,0|1,0,0]=3 308 B8R0.23 CC(O)CC(=O)N(C)C WXVL_AN0032SB3643 [0,2,0,0,0,0|1,0,0]=3 309 B8R0.23 CC(O)CC(=O)N(C)C WXVL_AN0032SB3643 [0,2,0,0,0,0|1,0,0]=3 310 B8R0.23 CN(C)CC(=O)N(C)C WXVL_AN0032SB0085 [0,2,0,0,0,0|2,0,0]=4 311 B8R0.23 CN(C)CC(=O)N(C)C WXVL_AN0032SB0085 [0,2,0,0,0,0|2,0,0]=4 312 B8R0.24 CC(C)(C)NC(=O)CO WXVL_AK0024SB2706 [0,2,0,0,0,0|2,0,0]=4 313 B8R0.24 CC(C)(C)NC(=O)CO WXVL_AK0024SB2706 [0,2,0,0,0,0|2,0,0]=4 314 B8R0.24 CCC(=O)NC(C)(C)C WXVL_AK0024SB0064 [0,2,0,0,0,0|1,0,0]=3 315 B8R0.24 CCC(=O)NC(C)(C)C WXVL_AK0024SB0064 [0,2,0,0,0,0|1,0,0]=3 316 B8R0.24 CNC(=O)CC(C)(C)C WXVL_AK00442SB0062 [0,2,0,0,0,0|1,0,0]=3 317 B8R0.24 CNC(=O)CC(C)(C)C WXVL_AK00442SB0062 [0,2,0,0,0,0|1,0,0]=3 318 B8R0.24 CNC(=O)CC(C)(C)O WXVL_AK00442SB0163 [0,2,0,0,0,0|1,0,0]=3 319 B8R0.24 CNC(=O)CC(C)(C)O WXVL_AK00442SB0163 [0,2,0,0,0,0|1,0,0]=3 320 B8R0.24 CNC(=O)CC(F)(F)F WXVL_AK00442SB0177 [0,2,0,0,0,0|2,0,0]=4 321 B8R0.24 CNC(=O)CC(F)(F)F WXVL_AK00442SB0177 [0,2,0,0,0,0|2,0,0]=4 322 B8R0.24 CNC(=O)CS(=O)(=O)C WXVL_AK00442SB0162 [0,2,0,0,0,0|2,0,0]=4 323 B8R0.24 CNC(=O)CS(=O)(=O)C WXVL_AK00442SB0162 [0,2,0,0,0,0|2,0,0]=4 324 B8R0.34 CCS(=O)(=O)NC(C)C WXVL_AK0030HU0028 [0,2,0,0,0,0|2,0,0]=4 325 B8R0.34 CCS(=O)(=O)NC(C)C WXVL_AK0030HU0028 [0,2,0,0,0,0|2,0,0]=4 326 B8R0.34 CNS(=O)(=O)CC(C)C WXVL_AK00442HU0149 [0,2,0,0,0,0|2,0,0]=4 327 B8R0.34 CNS(=O)(=O)CC(C)C WXVL_AK00442HU0149 [0,2,0,0,0,0|2,0,0]=4 328 B8R0.1 C#CCC(=O)NCCC WXVL_AK00504SB3070 [0,2,0,0,0,0|0,0,1]=3 329 B8R0.1 C#CCC(=O)NCCC WXVL_AK00504SB3070 [0,2,0,0,0,0|0,0,1]=3 330 B8R0.1 C#CCC(=O)NCCF WXVL_AK00466SB3070 [0,2,0,0,0,0|0,0,2]=4 331 B8R0.1 C#CCC(=O)NCCF WXVL_AK00466SB3070 [0,2,0,0,0,0|0,0,2]=4 332 B8R0.1 C#CCCC(=O)NCC WXVL_AK00476SB2189 [0,2,0,0,0,0|0,0,1]=3 333 B8R0.1 C#CCCC(=O)NCC WXVL_AK00476SB2189 [0,2,0,0,0,0|0,0,1]=3 334 B8R0.1 C/C=C/C(=O)NCCC WXVL_AK00504SB0340 [0,2,0,0,0,0|0,0,1]=3 335 B8R0.1 C/C=C/C(=O)NCCC WXVL_AK00504SB0340 [0,2,0,0,0,0|0,0,1]=3 336 B8R0.1 C/C=C/C(=O)NCCF WXVL_AK00466SB0340 [0,2,0,0,0,0|0,0,2]=4 337 B8R0.1 C/C=C/C(=O)NCCF WXVL_AK00466SB0340 [0,2,0,0,0,0|0,0,2]=4 338 B8R0.1 C=CCC(=O)NCCC WXVL_AK00504SB2732 [0,2,0,0,0,0|0,0,1]=3 339 B8R0.1 C=CCC(=O)NCCC WXVL_AK00504SB2732 [0,2,0,0,0,0|0,0,1]=3 340 B8R0.1 C=CCC(=O)NCCF WXVL_AK00466SB2732 [0,2,0,0,0,0|0,0,2]=4 341 B8R0.1 C=CCC(=O)NCCF WXVL_AK00466SB2732 [0,2,0,0,0,0|0,0,2]=4 342 B8R0.1 C=CCCC(=O)NCC WXVL_AK00476SB1035 [0,2,0,0,0,0|0,0,1]=3 343 B8R0.1 C=CCCC(=O)NCC WXVL_AK00476SB1035 [0,2,0,0,0,0|0,0,1]=3 344 B8R0.1 C=CCNC(=O)CCC WXVL_AK00561SB0073 [0,2,0,0,0,0|0,0,1]=3 345 B8R0.1 C=CCNC(=O)CCC WXVL_AK00561SB0073 [0,2,0,0,0,0|0,0,1]=3 346 B8R0.1 C=CCNC(=O)COC WXVL_AK00561SB0090 [0,2,0,0,0,0|0,0,2]=4 347 B8R0.1 C=CCNC(=O)COC WXVL_AK00561SB0090 [0,2,0,0,0,0|0,0,2]=4 348 B8R0.1 C=CCNC(=O)CSC WXVL_AK00561SB1267 [0,2,0,0,0,0|0,0,2]=4 349 B8R0.1 C=CCNC(=O)CSC WXVL_AK00561SB1267 [0,2,0,0,0,0|0,0,2]=4 350 B8R0.1 CC#CC(=O)NCCC WXVL_AK00504SB1240 [0,2,0,0,0,0|0,0,1]=3 351 B8R0.1 CC#CC(=O)NCCC WXVL_AK00504SB1240 [0,2,0,0,0,0|0,0,1]=3 352 B8R0.1 CC#CC(=O)NCCF WXVL_AK00466SB1240 [0,2,0,0,0,0|0,0,2]=4 353 B8R0.1 CC#CC(=O)NCCF WXVL_AK00466SB1240 [0,2,0,0,0,0|0,0,2]=4 354 B8R0.1 CCCC(=O)NCC#N WXVL_AK0683SB0073 [0,2,0,0,0,0|0,0,1]=3 355 B8R0.1 CCCC(=O)NCC#N WXVL_AK0683SB0073 [0,2,0,0,0,0|0,0,1]=3 356 B8R0.1 CCCC(=O)NCCF WXVL_AK00466SB0073 [0,2,0,0,0,0|0,0,0]=2 357 B8R0.1 CCCC(=O)NCCF WXVL_AK00466SB0073 [0,2,0,0,0,0|0,0,0]=2 358 B8R0.1 CCCNC(=O)CC#N WXVL_AK00504SB0057 [0,2,0,0,0,0|0,0,1]=3 359 B8R0.1 CCCNC(=O)CC#N WXVL_AK00504SB0057 [0,2,0,0,0,0|0,0,1]=3 360 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [0,2,0,0,0,0|0,0,0]=2 361 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [0,2,0,0,0,0|0,0,0]=2 362 B8R0.1 CCCNC(=O)COC WXVL_AK00504SB0090 [0,2,0,0,0,0|0,0,0]=2 363 B8R0.1 CCCNC(=O)COC WXVL_AK00504SB0090 [0,2,0,0,0,0|0,0,0]=2 364 B8R0.1 CCCNC(=O)CSC WXVL_AK00504SB1267 [0,2,0,0,0,0|0,0,0]=2 365 B8R0.1 CCCNC(=O)CSC WXVL_AK00504SB1267 [0,2,0,0,0,0|0,0,0]=2 366 B8R0.1 CCNC(=O)/C=C/CBr WXVL_AK00476SB0424 [0,2,0,0,0,0|0,0,2]=4 367 B8R0.1 CCNC(=O)/C=C/CBr WXVL_AK00476SB0424 [0,2,0,0,0,0|0,0,2]=4 368 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [0,2,0,0,0,0|0,0,0]=2 369 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [0,2,0,0,0,0|0,0,0]=2 370 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [0,2,0,0,0,0|0,0,0]=2 371 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [0,2,0,0,0,0|0,0,0]=2 372 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [0,2,0,0,0,0|0,0,0]=2 373 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [0,2,0,0,0,0|0,0,0]=2 374 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [0,2,0,0,0,0|0,0,0]=2 375 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [0,2,0,0,0,0|0,0,0]=2 376 B8R0.1 CCNC(=O)NCCCl WXVL_AK00476YV0092 [0,2,0,0,0,0|1,0,0]=3 377 B8R0.1 CCNC(=O)NCCCl WXVL_AK00476YV0092 [0,2,0,0,0,0|1,0,0]=3 378 B8R0.1 COCC(=O)NCC#N WXVL_AK0683SB0090 [0,2,0,0,0,0|1,0,1]=4 379 B8R0.1 COCC(=O)NCC#N WXVL_AK0683SB0090 [0,2,0,0,0,0|1,0,1]=4 380 B8R0.1 COCC(=O)NCCF WXVL_AK00466SB0090 [0,2,0,0,0,0|1,0,0]=3 381 B8R0.1 COCC(=O)NCCF WXVL_AK00466SB0090 [0,2,0,0,0,0|1,0,0]=3 382 B8R0.1 CSCC(=O)NCC#N WXVL_AK0683SB1267 [0,2,0,0,0,0|1,0,1]=4 383 B8R0.1 CSCC(=O)NCC#N WXVL_AK0683SB1267 [0,2,0,0,0,0|1,0,1]=4 384 B8R0.1 CSCC(=O)NCCF WXVL_AK00466SB1267 [0,2,0,0,0,0|1,0,0]=3 385 B8R0.1 CSCC(=O)NCCF WXVL_AK00466SB1267 [0,2,0,0,0,0|1,0,0]=3 386 B8R0.1 N#CCC(=O)NCCF WXVL_AK00466SB0057 [0,2,0,0,0,0|1,0,1]=4 387 B8R0.1 N#CCC(=O)NCCF WXVL_AK00466SB0057 [0,2,0,0,0,0|1,0,1]=4 388 B8R0.3 C/C=C(\C)/C(=O)NCC WXVL_AK00476SB0343 [0,2,0,0,0,0|0,0,2]=4 389 B8R0.3 C/C=C(\C)/C(=O)NCC WXVL_AK00476SB0343 [0,2,0,0,0,0|0,0,2]=4 390 B8R0.3 CC/C=C(\C)/C(=O)NC WXVL_AK00442SB0037 [0,2,0,0,0,0|1,0,1]=4 391 B8R0.3 CC/C=C(\C)/C(=O)NC WXVL_AK00442SB0037 [0,2,0,0,0,0|1,0,1]=4 392 B8R0.3 CCC(=O)N(C)CC#N WXVL_AN2942SB0064 [0,2,0,0,0,0|1,0,1]=4 393 B8R0.3 CCC(=O)N(C)CC#N WXVL_AN2942SB0064 [0,2,0,0,0,0|1,0,1]=4 394 B8R0.3 CCC(=O)N(C)CCO WXVL_AN2670SB0064 [0,2,0,0,0,0|1,0,0]=3 395 B8R0.3 CCC(=O)N(C)CCO WXVL_AN2670SB0064 [0,2,0,0,0,0|1,0,0]=3 396 B8R0.3 CCCC(C)C(=O)NC WXVL_AK00442SB0352 [0,2,0,0,0,0|1,0,0]=3 397 B8R0.3 CCCC(C)C(=O)NC WXVL_AK00442SB0352 [0,2,0,0,0,0|1,0,0]=3 398 B8R0.3 CCC[C@H](O)C(=O)NC WXVL_AK00442SB3627 [0,2,0,0,0,0|1,0,0]=3 399 B8R0.3 CCC[C@H](O)C(=O)NC WXVL_AK00442SB3627 [0,2,0,0,0,0|1,0,0]=3 400 B8R0.3 CCNC(=O)C(=O)CC WXVL_AK00476SB0344 [0,2,0,0,0,0|0,0,1]=3 401 B8R0.3 CCNC(=O)C(=O)CC WXVL_AK00476SB0344 [0,2,0,0,0,0|0,0,1]=3 402 B8R0.3 CCNC(=O)C(C)CC WXVL_AK00476SB0054 [0,2,0,0,0,0|0,0,0]=2 403 B8R0.3 CCNC(=O)C(C)CC WXVL_AK00476SB0054 [0,2,0,0,0,0|0,0,0]=2 404 B8R0.3 CCNC(=O)[C@@H](C)OC WXVL_AK00476SB2926 [0,2,0,0,0,0|1,0,0]=3 405 B8R0.3 CCNC(=O)[C@@H](C)OC WXVL_AK00476SB2926 [0,2,0,0,0,0|1,0,0]=3 406 B8R0.3 CCNC(=O)[C@@H](O)CC WXVL_AK00476SB3573 [0,2,0,0,0,0|0,0,0]=2 407 B8R0.3 CCNC(=O)[C@@H](O)CC WXVL_AK00476SB3573 [0,2,0,0,0,0|0,0,0]=2 408 B8R0.3 CCNC(=O)[C@H](C)CC WXVL_AK00476SB00054 [0,2,0,0,0,0|0,0,0]=2 409 B8R0.3 CCNC(=O)[C@H](C)CC WXVL_AK00476SB00054 [0,2,0,0,0,0|0,0,0]=2 410 B8R0.3 CCOC(=O)C(=O)NC WXVL_AK00442SB4144 [0,2,0,0,0,0|1,0,1]=4 411 B8R0.3 CCOC(=O)C(=O)NC WXVL_AK00442SB4144 [0,2,0,0,0,0|1,0,1]=4 412 B8R0.3 CN(CCO)C(=O)CO WXVL_AN2670SB2706 [0,2,0,0,0,0|2,0,0]=4 413 B8R0.3 CN(CCO)C(=O)CO WXVL_AN2670SB2706 [0,2,0,0,0,0|2,0,0]=4 414 B8R0.6 C#CC(=O)NCCCC WXVL_AK00588SB0338 [0,2,0,0,0,0|0,0,2]=4 415 B8R0.6 C#CC(=O)NCCCC WXVL_AK00588SB0338 [0,2,0,0,0,0|0,0,2]=4 416 B8R0.6 C#CC(=O)NCCCO WXVL_AK0073SB0338 [0,2,0,0,0,0|0,0,2]=4 417 B8R0.6 C#CC(=O)NCCCO WXVL_AK0073SB0338 [0,2,0,0,0,0|0,0,2]=4 418 B8R0.6 C#CC(=O)NCCSC WXVL_AK00440SB0338 [0,2,0,0,0,0|0,0,2]=4 419 B8R0.6 C#CC(=O)NCCSC WXVL_AK00440SB0338 [0,2,0,0,0,0|0,0,2]=4 420 B8R0.6 C#CCCCC(=O)NC WXVL_AK00442SB2709 [0,2,0,0,0,0|1,0,0]=3 421 B8R0.6 C#CCCCC(=O)NC WXVL_AK00442SB2709 [0,2,0,0,0,0|1,0,0]=3 422 B8R0.6 C#CCCNC(=O)CC WXVL_AK3109SB0064 [0,2,0,0,0,0|0,0,1]=3 423 B8R0.6 C#CCCNC(=O)CC WXVL_AK3109SB0064 [0,2,0,0,0,0|0,0,1]=3 424 B8R0.6 C#CCCNC(=O)CO WXVL_AK3109SB2706 [0,2,0,0,0,0|1,0,1]=4 425 B8R0.6 C#CCCNC(=O)CO WXVL_AK3109SB2706 [0,2,0,0,0,0|1,0,1]=4 426 B8R0.6 C=CCCCC(=O)NC WXVL_AK00442SB2920 [0,2,0,0,0,0|1,0,0]=3 427 B8R0.6 C=CCCCC(=O)NC WXVL_AK00442SB2920 [0,2,0,0,0,0|1,0,0]=3 428 B8R0.6 C=CCCNC(=O)CC WXVL_AK00138SB0064 [0,2,0,0,0,0|0,0,1]=3 429 B8R0.6 C=CCCNC(=O)CC WXVL_AK00138SB0064 [0,2,0,0,0,0|0,0,1]=3 430 B8R0.6 C=CCCNC(=O)CO WXVL_AK00138SB2706 [0,2,0,0,0,0|1,0,1]=4 431 B8R0.6 C=CCCNC(=O)CO WXVL_AK00138SB2706 [0,2,0,0,0,0|1,0,1]=4 432 B8R0.6 CC/C=C/CC(=O)NC WXVL_AK00442SB0349 [0,2,0,0,0,0|1,0,0]=3 433 B8R0.6 CC/C=C/CC(=O)NC WXVL_AK00442SB0349 [0,2,0,0,0,0|1,0,0]=3 434 B8R0.6 CCC(=O)NCCC#N WXVL_AK0087SB0064 [0,2,0,0,0,0|0,0,1]=3 435 B8R0.6 CCC(=O)NCCC#N WXVL_AK0087SB0064 [0,2,0,0,0,0|0,0,1]=3 436 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [0,2,0,0,0,0|0,0,0]=2 437 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [0,2,0,0,0,0|0,0,0]=2 438 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [0,2,0,0,0,0|0,0,0]=2 439 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [0,2,0,0,0,0|0,0,0]=2 440 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [0,2,0,0,0,0|0,0,0]=2 441 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [0,2,0,0,0,0|0,0,0]=2 442 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [0,2,0,0,0,0|1,0,0]=3 443 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [0,2,0,0,0,0|1,0,0]=3 444 B8R0.6 CCO/C=C/C(=O)NC WXVL_AK00442SB3226 [0,2,0,0,0,0|1,0,1]=4 445 B8R0.6 CCO/C=C/C(=O)NC WXVL_AK00442SB3226 [0,2,0,0,0,0|1,0,1]=4 446 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [0,2,0,0,0,0|1,0,0]=3 447 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [0,2,0,0,0,0|1,0,0]=3 448 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [0,2,0,0,0,0|1,0,0]=3 449 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [0,2,0,0,0,0|1,0,0]=3 450 B8R0.6 CNC(=O)NCCCCl WXVL_AK00442YV0130 [0,2,0,0,0,0|1,0,0]=3 451 B8R0.6 CNC(=O)NCCCCl WXVL_AK00442YV0130 [0,2,0,0,0,0|1,0,0]=3 452 B8R0.6 CSCCNC(=O)CO WXVL_AK00440SB2706 [0,2,0,0,0,0|1,0,0]=3 453 B8R0.6 CSCCNC(=O)CO WXVL_AK00440SB2706 [0,2,0,0,0,0|1,0,0]=3 454 B8R0.6 N#CCCNC(=O)CO WXVL_AK0087SB2706 [0,2,0,0,0,0|1,0,1]=4 455 B8R0.6 N#CCCNC(=O)CO WXVL_AK0087SB2706 [0,2,0,0,0,0|1,0,1]=4 456 B8R0.6 O=C(CO)NCCCO WXVL_AK0073SB2706 [0,2,0,0,0,0|1,0,0]=3 457 B8R0.6 O=C(CO)NCCCO WXVL_AK0073SB2706 [0,2,0,0,0,0|1,0,0]=3 458 B8R0.8 C#CCCC(=O)N(C)C WXVL_AN0032SB2189 [0,2,0,0,0,0|1,0,1]=4 459 B8R0.8 C#CCCC(=O)N(C)C WXVL_AN0032SB2189 [0,2,0,0,0,0|1,0,1]=4 460 B8R0.8 C=C(F)C(=O)NCCC WXVL_AK00504SB1376 [0,2,0,0,0,0|0,0,2]=4 461 B8R0.8 C=C(F)C(=O)NCCC WXVL_AK00504SB1376 [0,2,0,0,0,0|0,0,2]=4 462 B8R0.8 C=CCCC(=O)N(C)C WXVL_AN0032SB1035 [0,2,0,0,0,0|1,0,1]=4 463 B8R0.8 C=CCCC(=O)N(C)C WXVL_AN0032SB1035 [0,2,0,0,0,0|1,0,1]=4 464 B8R0.8 C=CCNC(=O)C(C)C WXVL_AK00561SB0052 [0,2,0,0,0,0|0,0,2]=4 465 B8R0.8 C=CCNC(=O)C(C)C WXVL_AK00561SB0052 [0,2,0,0,0,0|0,0,2]=4 466 B8R0.8 C=CCNC(=O)C(C)S WXVL_AK00561SB2708 [0,2,0,0,0,0|0,0,2]=4 467 B8R0.8 C=CCNC(=O)C(C)S WXVL_AK00561SB2708 [0,2,0,0,0,0|0,0,2]=4 468 B8R0.8 C=CCNC(=O)[C@@H](C)O WXVL_AK00561SB1085 [0,2,0,0,0,0|0,0,2]=4 469 B8R0.8 C=CCNC(=O)[C@@H](C)O WXVL_AK00561SB1085 [0,2,0,0,0,0|0,0,2]=4 470 B8R0.8 CC(=O)C(=O)NCCF WXVL_AK00466SB0051 [0,2,0,0,0,0|1,0,1]=4 471 B8R0.8 CC(=O)C(=O)NCCF WXVL_AK00466SB0051 [0,2,0,0,0,0|1,0,1]=4 472 B8R0.8 CC(C)C(=O)NCC#N WXVL_AK0683SB0052 [0,2,0,0,0,0|1,0,1]=4 473 B8R0.8 CC(C)C(=O)NCC#N WXVL_AK0683SB0052 [0,2,0,0,0,0|1,0,1]=4 474 B8R0.8 CC(C)C(=O)NCCF WXVL_AK00466SB0052 [0,2,0,0,0,0|1,0,0]=3 475 B8R0.8 CC(C)C(=O)NCCF WXVL_AK00466SB0052 [0,2,0,0,0,0|1,0,0]=3 476 B8R0.8 CC(S)C(=O)NCC#N WXVL_AK0683SB2708 [0,2,0,0,0,0|1,0,1]=4 477 B8R0.8 CC(S)C(=O)NCC#N WXVL_AK0683SB2708 [0,2,0,0,0,0|1,0,1]=4 478 B8R0.8 CC(S)C(=O)NCCF WXVL_AK00466SB2708 [0,2,0,0,0,0|1,0,0]=3 479 B8R0.8 CC(S)C(=O)NCCF WXVL_AK00466SB2708 [0,2,0,0,0,0|1,0,0]=3 480 B8R0.8 CCCNC(=O)C(=O)C WXVL_AK00504SB0051 [0,2,0,0,0,0|0,0,1]=3 481 B8R0.8 CCCNC(=O)C(=O)C WXVL_AK00504SB0051 [0,2,0,0,0,0|0,0,1]=3 482 B8R0.8 CCCNC(=O)C(=O)N WXVL_AK00504SB0128 [0,2,0,0,0,0|1,0,1]=4 483 B8R0.8 CCCNC(=O)C(=O)N WXVL_AK00504SB0128 [0,2,0,0,0,0|1,0,1]=4 484 B8R0.8 CCCNC(=O)C(C)C WXVL_AK00504SB0052 [0,2,0,0,0,0|0,0,0]=2 485 B8R0.8 CCCNC(=O)C(C)C WXVL_AK00504SB0052 [0,2,0,0,0,0|0,0,0]=2 486 B8R0.8 CCCNC(=O)C(C)S WXVL_AK00504SB2708 [0,2,0,0,0,0|0,0,0]=2 487 B8R0.8 CCCNC(=O)C(C)S WXVL_AK00504SB2708 [0,2,0,0,0,0|0,0,0]=2 488 B8R0.8 CCCNC(=O)C(F)F WXVL_AK00504SB0079 [0,2,0,0,0,0|1,0,0]=3 489 B8R0.8 CCCNC(=O)C(F)F WXVL_AK00504SB0079 [0,2,0,0,0,0|1,0,0]=3 490 B8R0.8 CCCNC(=O)[C@@H](C)O WXVL_AK00504SB1085 [0,2,0,0,0,0|0,0,0]=2 491 B8R0.8 CCCNC(=O)[C@@H](C)O WXVL_AK00504SB1085 [0,2,0,0,0,0|0,0,0]=2 492 B8R0.8 CCOCC(=O)N(C)C WXVL_AN0032SB0091 [0,2,0,0,0,0|1,0,0]=3 493 B8R0.8 CCOCC(=O)N(C)C WXVL_AN0032SB0091 [0,2,0,0,0,0|1,0,0]=3 494 B8R0.8 CCSCC(=O)N(C)C WXVL_AN0032SB0002 [0,2,0,0,0,0|1,0,0]=3 495 B8R0.8 CCSCC(=O)N(C)C WXVL_AN0032SB0002 [0,2,0,0,0,0|1,0,0]=3 496 B8R0.8 CN(C)C(=O)NCCCl WXVL_AN0032YV0092 [0,2,0,0,0,0|2,0,0]=4 497 B8R0.8 CN(C)C(=O)NCCCl WXVL_AN0032YV0092 [0,2,0,0,0,0|2,0,0]=4 498 B8R0.8 COCCC(=O)N(C)C WXVL_AN0032SB0156 [0,2,0,0,0,0|1,0,0]=3 499 B8R0.8 COCCC(=O)N(C)C WXVL_AN0032SB0156 [0,2,0,0,0,0|1,0,0]=3 500 B8R0.8 CSCCC(=O)N(C)C WXVL_AN0032SB0361 [0,2,0,0,0,0|1,0,0]=3 501 B8R0.8 CSCCC(=O)N(C)C WXVL_AN0032SB0361 [0,2,0,0,0,0|1,0,0]=3 502 B8R0.8 C[C@@H](O)C(=O)NCC#N WXVL_AK0683SB1085 [0,2,0,0,0,0|1,0,1]=4 503 B8R0.8 C[C@@H](O)C(=O)NCC#N WXVL_AK0683SB1085 [0,2,0,0,0,0|1,0,1]=4 504 B8R0.8 C[C@@H](O)C(=O)NCCF WXVL_AK00466SB1085 [0,2,0,0,0,0|1,0,0]=3 505 B8R0.8 C[C@@H](O)C(=O)NCCF WXVL_AK00466SB1085 [0,2,0,0,0,0|1,0,0]=3 506 B8R0.8 O=C(NCCF)C(F)F WXVL_AK00466SB0079 [0,2,0,0,0,0|2,0,0]=4 507 B8R0.8 O=C(NCCF)C(F)F WXVL_AK00466SB0079 [0,2,0,0,0,0|2,0,0]=4 508 B8R0.9 C#CC(=O)NCC(C)C WXVL_AK00544SB0338 [0,2,0,0,0,0|0,0,2]=4 509 B8R0.9 C#CC(=O)NCC(C)C WXVL_AK00544SB0338 [0,2,0,0,0,0|0,0,2]=4 510 B8R0.9 C#CC(=O)NCC(C)O WXVL_AK0052SB0338 [0,2,0,0,0,0|0,0,2]=4 511 B8R0.9 C#CC(=O)NCC(C)O WXVL_AK0052SB0338 [0,2,0,0,0,0|0,0,2]=4 512 B8R0.9 C#CC(=O)NC[C@H](C)O WXVL_AK0113SB0338 [0,2,0,0,0,0|0,0,2]=4 513 B8R0.9 C#CC(=O)NC[C@H](C)O WXVL_AK0113SB0338 [0,2,0,0,0,0|0,0,2]=4 514 B8R0.9 C=C(C)CNC(=O)CC WXVL_AK0761SB0064 [0,2,0,0,0,0|0,0,1]=3 515 B8R0.9 C=C(C)CNC(=O)CC WXVL_AK0761SB0064 [0,2,0,0,0,0|0,0,1]=3 516 B8R0.9 C=C(C)CNC(=O)CO WXVL_AK0761SB2706 [0,2,0,0,0,0|1,0,1]=4 517 B8R0.9 C=C(C)CNC(=O)CO WXVL_AK0761SB2706 [0,2,0,0,0,0|1,0,1]=4 518 B8R0.9 CC(C)CNC(=O)CO WXVL_AK00544SB2706 [0,2,0,0,0,0|1,0,0]=3 519 B8R0.9 CC(C)CNC(=O)CO WXVL_AK00544SB2706 [0,2,0,0,0,0|1,0,0]=3 520 B8R0.9 CC(O)CNC(=O)CO WXVL_AK0052SB2706 [0,2,0,0,0,0|1,0,0]=3 521 B8R0.9 CC(O)CNC(=O)CO WXVL_AK0052SB2706 [0,2,0,0,0,0|1,0,0]=3 522 B8R0.9 CCC(=O)NCC(=O)N WXVL_AK0147SB0064 [0,2,0,0,0,0|1,0,1]=4 523 B8R0.9 CCC(=O)NCC(=O)N WXVL_AK0147SB0064 [0,2,0,0,0,0|1,0,1]=4 524 B8R0.9 CCC(=O)NCC(C)C WXVL_AK00544SB0064 [0,2,0,0,0,0|0,0,0]=2 525 B8R0.9 CCC(=O)NCC(C)C WXVL_AK00544SB0064 [0,2,0,0,0,0|0,0,0]=2 526 B8R0.9 CCC(=O)NCC(C)O WXVL_AK0052SB0064 [0,2,0,0,0,0|0,0,0]=2 527 B8R0.9 CCC(=O)NCC(C)O WXVL_AK0052SB0064 [0,2,0,0,0,0|0,0,0]=2 528 B8R0.9 CCC(=O)NCC(F)F WXVL_AK0136SB0064 [0,2,0,0,0,0|1,0,0]=3 529 B8R0.9 CCC(=O)NCC(F)F WXVL_AK0136SB0064 [0,2,0,0,0,0|1,0,0]=3 530 B8R0.9 CCC(=O)NC[C@H](C)O WXVL_AK0113SB0064 [0,2,0,0,0,0|0,0,0]=2 531 B8R0.9 CCC(=O)NC[C@H](C)O WXVL_AK0113SB0064 [0,2,0,0,0,0|0,0,0]=2 532 B8R0.9 CNC(=O)/C=C/C(C)C WXVL_AK00442SB0036 [0,2,0,0,0,0|1,0,1]=4 533 B8R0.9 CNC(=O)/C=C/C(C)C WXVL_AK00442SB0036 [0,2,0,0,0,0|1,0,1]=4 534 B8R0.9 CNC(=O)CCC(=O)C WXVL_AK00442SB0072 [0,2,0,0,0,0|1,0,0]=3 535 B8R0.9 CNC(=O)CCC(=O)C WXVL_AK00442SB0072 [0,2,0,0,0,0|1,0,0]=3 536 B8R0.9 CNC(=O)CCC(=O)N WXVL_AK00442SB0358 [0,2,0,0,0,0|1,0,1]=4 537 B8R0.9 CNC(=O)CCC(=O)N WXVL_AK00442SB0358 [0,2,0,0,0,0|1,0,1]=4 538 B8R0.9 CNC(=O)CCC(C)C WXVL_AK00442SB0354 [0,2,0,0,0,0|1,0,0]=3 539 B8R0.9 CNC(=O)CCC(C)C WXVL_AK00442SB0354 [0,2,0,0,0,0|1,0,0]=3 540 B8R0.9 CNC(=O)CCN(C)C WXVL_AK00442SB00052 [0,2,0,0,0,0|1,0,0]=3 541 B8R0.9 CNC(=O)CCN(C)C WXVL_AK00442SB00052 [0,2,0,0,0,0|1,0,0]=3 542 B8R0.9 CNC(=O)CNC(=O)C WXVL_AK00442SB0357 [0,2,0,0,0,0|1,0,1]=4 543 B8R0.9 CNC(=O)CNC(=O)C WXVL_AK00442SB0357 [0,2,0,0,0,0|1,0,1]=4 544 B8R0.9 CNC(=O)CNC(=O)C WXVL_AK1222SB0150 [0,2,0,0,0,0|1,0,1]=4 545 B8R0.9 CNC(=O)CNC(=O)C WXVL_AK1222SB0150 [0,2,0,0,0,0|1,0,1]=4 546 B8R0.9 CNC(=O)COC(=O)C WXVL_AK00442SB2824 [0,2,0,0,0,0|1,0,1]=4 547 B8R0.9 CNC(=O)COC(=O)C WXVL_AK00442SB2824 [0,2,0,0,0,0|1,0,1]=4 548 B8R0.9 CNC(=O)COC(C)C WXVL_AK00442SB0213 [0,2,0,0,0,0|1,0,0]=3 549 B8R0.9 CNC(=O)COC(C)C WXVL_AK00442SB0213 [0,2,0,0,0,0|1,0,0]=3 550 B8R0.9 CNC(=O)CSC(=O)C WXVL_AK00442SB3992 [0,2,0,0,0,0|1,0,1]=4 551 B8R0.9 CNC(=O)CSC(=O)C WXVL_AK00442SB3992 [0,2,0,0,0,0|1,0,1]=4 552 B8R0.9 COC(=O)CCC(=O)N WXVL_AK0084SB0069 [0,2,0,0,0,0|1,0,1]=4 553 B8R0.9 COC(=O)CCC(=O)N WXVL_AK0084SB0069 [0,2,0,0,0,0|1,0,1]=4 554 B8R0.9 C[C@H](O)CNC(=O)CO WXVL_AK0113SB2706 [0,2,0,0,0,0|1,0,0]=3 555 B8R0.9 C[C@H](O)CNC(=O)CO WXVL_AK0113SB2706 [0,2,0,0,0,0|1,0,0]=3 556 B8R0.9 O=C(CO)NCC(F)F WXVL_AK0136SB2706 [0,2,0,0,0,0|2,0,0]=4 557 B8R0.9 O=C(CO)NCC(F)F WXVL_AK0136SB2706 [0,2,0,0,0,0|2,0,0]=4 558 B8R0.25 CCCCS(=O)(=O)NC WXVL_AK00442HU0031 [0,2,0,0,0,0|2,0,0]=4 559 B8R0.25 CCCCS(=O)(=O)NC WXVL_AK00442HU0031 [0,2,0,0,0,0|2,0,0]=4 560 B8R0.25 CCCNS(=O)(=O)CC WXVL_AK00504HU0028 [0,2,0,0,0,0|1,0,0]=3 561 B8R0.25 CCCNS(=O)(=O)CC WXVL_AK00504HU0028 [0,2,0,0,0,0|1,0,0]=3 562 B8R0.25 CCS(=O)(=O)NCCF WXVL_AK00466HU0028 [0,2,0,0,0,0|2,0,0]=4 563 B8R0.25 CCS(=O)(=O)NCCF WXVL_AK00466HU0028 [0,2,0,0,0,0|2,0,0]=4 564 B8R0.25 CNS(=O)(=O)CCCCl WXVL_AK00442HU0162 [0,2,0,0,0,0|2,0,0]=4 565 B8R0.25 CNS(=O)(=O)CCCCl WXVL_AK00442HU0162 [0,2,0,0,0,0|2,0,0]=4 566 B8R0.25 CNS(=O)(=O)CCOC WXVL_AK00442HU0155 [0,2,0,0,0,0|2,0,0]=4 567 B8R0.25 CNS(=O)(=O)CCOC WXVL_AK00442HU0155 [0,2,0,0,0,0|2,0,0]=4 568 B8R0.12 CCCS(=O)(=O)N(C)C WXVL_AN0032HU0030 [0,2,0,0,0,0|2,0,0]=4 569 B8R0.12 CCCS(=O)(=O)N(C)C WXVL_AN0032HU0030 [0,2,0,0,0,0|2,0,0]=4 570 B8R0.12 CCNS(=O)(=O)C(C)C WXVL_AK00476HU0023 [0,2,0,0,0,0|2,0,0]=4 571 B8R0.12 CCNS(=O)(=O)C(C)C WXVL_AK00476HU0023 [0,2,0,0,0,0|2,0,0]=4 572 B8R0.14 CCNC(=O)C(C)(C)Br WXVL_AK00476SB0432 [0,2,0,0,0,0|1,0,0]=3 573 B8R0.14 CCNC(=O)C(C)(C)Br WXVL_AK00476SB0432 [0,2,0,0,0,0|1,0,0]=3 574 B8R0.14 CCNC(=O)C(C)(C)C WXVL_AK00476SB0078 [0,2,0,0,0,0|1,0,0]=3 575 B8R0.14 CCNC(=O)C(C)(C)C WXVL_AK00476SB0078 [0,2,0,0,0,0|1,0,0]=3 576 B8R0.14 CCNC(=O)C(C)(C)F WXVL_AK00476SB0199 [0,2,0,0,0,0|1,0,0]=3 577 B8R0.14 CCNC(=O)C(C)(C)F WXVL_AK00476SB0199 [0,2,0,0,0,0|1,0,0]=3 578 B8R0.14 CCNC(=O)C(C)(C)O WXVL_AK00476SB0125 [0,2,0,0,0,0|1,0,0]=3 579 B8R0.14 CCNC(=O)C(C)(C)O WXVL_AK00476SB0125 [0,2,0,0,0,0|1,0,0]=3 580 B8R0.14 CCNC(=O)C(C)(F)F WXVL_AK00476SB0197 [0,2,0,0,0,0|1,0,0]=3 581 B8R0.14 CCNC(=O)C(C)(F)F WXVL_AK00476SB0197 [0,2,0,0,0,0|1,0,0]=3 582 B8R0.14 CCNC(=O)C(Cl)(Cl)Cl WXVL_AK00476SB0416 [0,2,0,0,0,0|2,0,0]=4 583 B8R0.14 CCNC(=O)C(Cl)(Cl)Cl WXVL_AK00476SB0416 [0,2,0,0,0,0|2,0,0]=4 584 B8R0.14 CCNC(=O)C(F)(F)Cl WXVL_AK00476SB3129 [0,2,0,0,0,0|2,0,0]=4 585 B8R0.14 CCNC(=O)C(F)(F)Cl WXVL_AK00476SB3129 [0,2,0,0,0,0|2,0,0]=4 586 B8R0.15 CCN(CCO)C(=O)C WXVL_AN3174SB0150 [0,2,0,0,0,0|2,0,0]=4 587 B8R0.30 CCCS(=O)(=O)NCC WXVL_AK00476HU0030 [0,2,0,0,0,0|1,0,0]=3 588 B8R0.30 CCCS(=O)(=O)NCC WXVL_AK00476HU0030 [0,2,0,0,0,0|1,0,0]=3 589 B8R0.30 CCNS(=O)(=O)CCBr WXVL_AK00476HU0461 [0,2,0,0,0,0|2,0,0]=4 590 B8R0.30 CCNS(=O)(=O)CCBr WXVL_AK00476HU0461 [0,2,0,0,0,0|2,0,0]=4 591 B8R0.30 CCNS(=O)(=O)CCCl WXVL_AK00476HU0029 [0,2,0,0,0,0|2,0,0]=4 592 B8R0.30 CCNS(=O)(=O)CCCl WXVL_AK00476HU0029 [0,2,0,0,0,0|2,0,0]=4 593 B8R0.13 CCC(C)(C)C(=O)NC WXVL_AK00442SB0355 [0,2,0,0,0,0|1,0,0]=3 594 B8R0.13 CCC(C)(C)C(=O)NC WXVL_AK00442SB0355 [0,2,0,0,0,0|1,0,0]=3 595 B8R0.13 CCC(C)(O)C(=O)NC WXVL_AK00442SB3009 [0,2,0,0,0,0|1,0,0]=3 596 B8R0.13 CCC(C)(O)C(=O)NC WXVL_AK00442SB3009 [0,2,0,0,0,0|1,0,0]=3 597 B8R0.13 CNC(=O)C(C)(C)CCl WXVL_AK00442SB3392 [0,2,0,0,0,0|2,0,0]=4 598 B8R0.13 CNC(=O)C(C)(C)CCl WXVL_AK00442SB3392 [0,2,0,0,0,0|2,0,0]=4 599 B8R0.13 CNC(=O)C(C)(C)OC WXVL_AK00442SB0207 [0,2,0,0,0,0|2,0,0]=4 600 B8R0.13 CNC(=O)C(C)(C)OC WXVL_AK00442SB0207 [0,2,0,0,0,0|2,0,0]=4 601 B8R0.20 CCC(=O)N(CC)CC WXVL_AN0042SB0064 [0,2,0,0,0,0|1,0,0]=3 602 B8R0.20 CCC(=O)N(CC)CC WXVL_AN0042SB0064 [0,2,0,0,0,0|1,0,0]=3 603 B8R0.20 CCC(CC)C(=O)NC WXVL_AK00442SB0055 [0,2,0,0,0,0|1,0,0]=3 604 B8R0.20 CCC(CC)C(=O)NC WXVL_AK00442SB0055 [0,2,0,0,0,0|1,0,0]=3 605 B8R0.20 CCN(CC)C(=O)CO WXVL_AN0042SB2706 [0,2,0,0,0,0|2,0,0]=4 606 B8R0.20 CCN(CC)C(=O)CO WXVL_AN0042SB2706 [0,2,0,0,0,0|2,0,0]=4 607 B8R0.20 CNC(=O)C(OC)OC WXVL_AK00442SB8546 [0,2,0,0,0,0|2,0,0]=4 608 B8R0.20 CNC(=O)C(OC)OC WXVL_AK00442SB8546 [0,2,0,0,0,0|2,0,0]=4 609 B6R1.11 NC(=O)C1CC1 WXVL_AK0084SB0038 [1,0,0,1,0,0|1,0,0]=3 610 B6R1.11 NC(=O)C1CC1 WXVL_AK0084SB0038 [1,0,0,1,0,0|1,0,0]=3 611 B8R1.40 C#CC(=O)NC1CC1 WXVL_AK0001SB0338 [0,1,0,1,0,0|0,0,2]=4 612 B8R1.40 C#CC(=O)NC1CC1 WXVL_AK0001SB0338 [0,1,0,1,0,0|0,0,2]=4 613 B8R1.40 CCC(=O)NC1CC1 WXVL_AK0001SB0064 [0,1,0,1,0,0|0,0,0]=2 614 B8R1.40 CCC(=O)NC1CC1 WXVL_AK0001SB0064 [0,1,0,1,0,0|0,0,0]=2 615 B8R1.40 CNC(=O)CC1CC1 WXVL_AK00442SB0155 [0,1,0,1,0,0|1,0,0]=3 616 B8R1.40 CNC(=O)CC1CC1 WXVL_AK00442SB0155 [0,1,0,1,0,0|1,0,0]=3 617 B8R1.40 O=C(CO)NC1CC1 WXVL_AK0001SB2706 [0,1,0,1,0,0|1,0,0]=3 618 B8R1.40 O=C(CO)NC1CC1 WXVL_AK0001SB2706 [0,1,0,1,0,0|1,0,0]=3 619 B8R1.83 CNC(=O)C1CC1C WXVL_AK00442SB0041 [0,1,0,1,0,0|1,0,0]=3 620 B8R1.83 CNC(=O)C1CC1C WXVL_AK00442SB0041 [0,1,0,1,0,0|1,0,0]=3 621 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F WXVL_AK00442SB1245 [0,1,0,1,0,0|1,0,0]=3 622 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F WXVL_AK00442SB1245 [0,1,0,1,0,0|1,0,0]=3 623 B8R1.83 CNC(=O)[C@H]1C[C@H]1F WXVL_AK00442SB00019 [0,1,0,1,0,0|1,0,0]=3 624 B8R1.83 CNC(=O)[C@H]1C[C@H]1F WXVL_AK00442SB00019 [0,1,0,1,0,0|1,0,0]=3 625 B8R1.38 CNC(=O)C1CCC1 WXVL_AK00442SB0042 [0,1,0,1,0,0|1,0,0]=3 626 B8R1.38 CNC(=O)C1CCC1 WXVL_AK00442SB0042 [0,1,0,1,0,0|1,0,0]=3 627 B8R1.37 CCNC(=O)C1CC1 WXVL_AK00476SB0038 [0,1,0,1,0,0|0,0,0]=2 628 B8R1.37 CCNC(=O)C1CC1 WXVL_AK00476SB0038 [0,1,0,1,0,0|0,0,0]=2 629 B8R1.54 CN(C)C(=O)C1CC1 WXVL_AN0032SB0038 [0,1,0,1,0,0|1,0,0]=3 630 B8R1.54 CN(C)C(=O)C1CC1 WXVL_AN0032SB0038 [0,1,0,1,0,0|1,0,0]=3 631 B8R1.54 NC(=O)C(=O)C1CC1 WXVL_AK0084SB3659 [0,1,0,1,0,0|1,0,1]=4 632 B8R1.54 NC(=O)C(=O)C1CC1 WXVL_AK0084SB3659 [0,1,0,1,0,0|1,0,1]=4 633 B8R1.39 CNC(=O)C1(CC1)Br WXVL_AK00442SB5517 [0,1,0,1,0,0|1,0,0]=3 634 B8R1.39 CNC(=O)C1(CC1)Br WXVL_AK00442SB5517 [0,1,0,1,0,0|1,0,0]=3 635 B8R1.39 CNC(=O)C1(CC1)C WXVL_AK00442SB0040 [0,1,0,1,0,0|1,0,0]=3 636 B8R1.39 CNC(=O)C1(CC1)C WXVL_AK00442SB0040 [0,1,0,1,0,0|1,0,0]=3 637 B8R1.39 CNC(=O)C1(CC1)F WXVL_AK00442SB0218 [0,1,0,1,0,0|1,0,0]=3 638 B8R1.39 CNC(=O)C1(CC1)F WXVL_AK00442SB0218 [0,1,0,1,0,0|1,0,0]=3 639 B8R1.39 CNC(=O)C1(CC1)O WXVL_AK00442SB2965 [0,1,0,1,0,0|1,0,0]=3 640 B8R1.39 CNC(=O)C1(CC1)O WXVL_AK00442SB2965 [0,1,0,1,0,0|1,0,0]=3 641 B8R1.28 CNS(=O)(=O)C1CC1 WXVL_AK00442HU0097 [0,1,0,1,0,0|2,0,0]=4 642 B8R1.28 CNS(=O)(=O)C1CC1 WXVL_AK00442HU0097 [0,1,0,1,0,0|2,0,0]=4