0 B7R0.3 C#CC(=O)NCCC WXVL_AK00504SB0338 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.3 C#CC(=O)NCCC WXVL_AK00504SB0338 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.3 C#CC(=O)NCCF WXVL_AK00466SB0338 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.3 C#CC(=O)NCCF WXVL_AK00466SB0338 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.3 C#CCCC(=O)NC WXVL_AK00442SB2189 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.3 C#CCCC(=O)NC WXVL_AK00442SB2189 [0,0,0,0,0,0|2,0,2]=4 6 B7R0.3 C=CCCC(=O)NC WXVL_AK00442SB1035 [0,0,0,0,0,0|2,0,2]=4 7 B7R0.3 C=CCCC(=O)NC WXVL_AK00442SB1035 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.3 C=CCNC(=O)CC WXVL_AK00561SB0064 [0,0,0,0,0,0|1,0,2]=3 9 B7R0.3 C=CCNC(=O)CC WXVL_AK00561SB0064 [0,0,0,0,0,0|1,0,2]=3 10 B7R0.3 C=CCNC(=O)CO WXVL_AK00561SB2706 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.3 C=CCNC(=O)CO WXVL_AK00561SB2706 [0,0,0,0,0,0|2,0,2]=4 12 B7R0.3 CCC(=O)NCC#N WXVL_AK0683SB0064 [0,0,0,0,0,0|2,0,1]=3 13 B7R0.3 CCC(=O)NCC#N WXVL_AK0683SB0064 [0,0,0,0,0,0|2,0,1]=3 14 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [0,0,0,0,0,0|2,0,0]=2 15 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [0,0,0,0,0,0|2,0,0]=2 16 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [0,0,0,0,0,0|1,0,0]=1 17 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [0,0,0,0,0,0|1,0,0]=1 18 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [0,0,0,0,0,0|2,0,0]=2 19 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [0,0,0,0,0,0|2,0,0]=2 20 B7R0.3 CCOCC(=O)NC WXVL_AK00442SB0091 [0,0,0,0,0,0|3,0,0]=3 21 B7R0.3 CCOCC(=O)NC WXVL_AK00442SB0091 [0,0,0,0,0,0|3,0,0]=3 22 B7R0.3 CCSCC(=O)NC WXVL_AK00442SB0002 [0,0,0,0,0,0|3,0,0]=3 23 B7R0.3 CCSCC(=O)NC WXVL_AK00442SB0002 [0,0,0,0,0,0|3,0,0]=3 24 B7R0.3 CNC(=O)/C=C/CBr WXVL_AK00442SB0424 [0,0,0,0,0,0|3,0,1]=4 25 B7R0.3 CNC(=O)/C=C/CBr WXVL_AK00442SB0424 [0,0,0,0,0,0|3,0,1]=4 26 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [0,0,0,0,0,0|3,0,0]=3 27 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [0,0,0,0,0,0|3,0,0]=3 28 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [0,0,0,0,0,0|3,0,0]=3 29 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [0,0,0,0,0,0|3,0,0]=3 30 B7R0.3 CNC(=O)NCCCl WXVL_AK00442YV0092 [0,0,0,0,0,0|3,0,0]=3 31 B7R0.3 CNC(=O)NCCCl WXVL_AK00442YV0092 [0,0,0,0,0,0|3,0,0]=3 32 B7R0.3 N#CCNC(=O)CO WXVL_AK0683SB2706 [0,0,0,0,0,0|3,0,1]=4 33 B7R0.3 N#CCNC(=O)CO WXVL_AK0683SB2706 [0,0,0,0,0,0|3,0,1]=4 34 B7R0.3 O=C(CO)NCCF WXVL_AK00466SB2706 [0,0,0,0,0,0|3,0,0]=3 35 B7R0.3 O=C(CO)NCCF WXVL_AK00466SB2706 [0,0,0,0,0,0|3,0,0]=3 36 B6R0.1 C#CC(=O)NCC WXVL_AK00476SB0338 [1,0,0,0,0,0|1,0,2]=4 37 B6R0.1 C#CC(=O)NCC WXVL_AK00476SB0338 [1,0,0,0,0,0|1,0,2]=4 38 B6R0.1 C#CCC(=O)NC WXVL_AK00442SB3070 [1,0,0,0,0,0|1,0,2]=4 39 B6R0.1 C#CCC(=O)NC WXVL_AK00442SB3070 [1,0,0,0,0,0|1,0,2]=4 40 B6R0.1 C/C=C/C(=O)NC WXVL_AK00442SB0340 [1,0,0,0,0,0|1,0,2]=4 41 B6R0.1 C/C=C/C(=O)NC WXVL_AK00442SB0340 [1,0,0,0,0,0|1,0,2]=4 42 B6R0.1 C=CCC(=O)NC WXVL_AK00442SB2732 [1,0,0,0,0,0|1,0,2]=4 43 B6R0.1 C=CCC(=O)NC WXVL_AK00442SB2732 [1,0,0,0,0,0|1,0,2]=4 44 B6R0.1 CC#CC(=O)NC WXVL_AK00442SB1240 [1,0,0,0,0,0|1,0,2]=4 45 B6R0.1 CC#CC(=O)NC WXVL_AK00442SB1240 [1,0,0,0,0,0|1,0,2]=4 46 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [1,0,0,0,0,0|1,0,0]=2 47 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [1,0,0,0,0,0|1,0,0]=2 48 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [1,0,0,0,0,0|1,0,0]=2 49 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [1,0,0,0,0,0|1,0,0]=2 50 B6R0.1 CCNC(=O)CO WXVL_AK00476SB2706 [1,0,0,0,0,0|2,0,0]=3 51 B6R0.1 CCNC(=O)CO WXVL_AK00476SB2706 [1,0,0,0,0,0|2,0,0]=3 52 B6R0.1 CNC(=O)CC#N WXVL_AK00442SB0057 [1,0,0,0,0,0|2,0,1]=4 53 B6R0.1 CNC(=O)CC#N WXVL_AK00442SB0057 [1,0,0,0,0,0|2,0,1]=4 54 B6R0.1 CNC(=O)COC WXVL_AK00442SB0090 [1,0,0,0,0,0|2,0,0]=3 55 B6R0.1 CNC(=O)COC WXVL_AK00442SB0090 [1,0,0,0,0,0|2,0,0]=3 56 B6R0.1 CNC(=O)CSC WXVL_AK00442SB1267 [1,0,0,0,0,0|2,0,0]=3 57 B6R0.1 CNC(=O)CSC WXVL_AK00442SB1267 [1,0,0,0,0,0|2,0,0]=3 58 B6R0.4 C=CCNC(=O)C WXVL_AK00561SB0150 [1,0,0,0,0,0|1,0,2]=4 59 B6R0.4 C=CCNC(=O)C WXVL_AK00561SB0150 [1,0,0,0,0,0|1,0,2]=4 60 B6R0.4 CC(=O)NCC#N WXVL_AK0683SB0150 [1,0,0,0,0,0|2,0,1]=4 61 B6R0.4 CC(=O)NCC#N WXVL_AK0683SB0150 [1,0,0,0,0,0|2,0,1]=4 62 B6R0.4 CC(=O)NCCF WXVL_AK00466SB0150 [1,0,0,0,0,0|2,0,0]=3 63 B6R0.4 CC(=O)NCCF WXVL_AK00466SB0150 [1,0,0,0,0,0|2,0,0]=3 64 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [1,0,0,0,0,0|1,0,0]=2 65 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [1,0,0,0,0,0|1,0,0]=2 66 B6R0.4 CCOCC(=O)N WXVL_AK0084SB0091 [1,0,0,0,0,0|3,0,0]=4 67 B6R0.4 CCOCC(=O)N WXVL_AK0084SB0091 [1,0,0,0,0,0|3,0,0]=4 68 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [1,0,0,0,0,0|3,0,0]=4 69 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [1,0,0,0,0,0|3,0,0]=4 70 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [1,0,0,0,0,0|3,0,0]=4 71 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [1,0,0,0,0,0|3,0,0]=4 72 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [1,0,0,0,0,0|3,0,0]=4 73 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [1,0,0,0,0,0|3,0,0]=4 74 B8R0.1 C#CCC(=O)NCCC WXVL_AK00504SB3070 [0,1,0,0,0,0|1,0,1]=3 75 B8R0.1 C#CCC(=O)NCCC WXVL_AK00504SB3070 [0,1,0,0,0,0|1,0,1]=3 76 B8R0.1 C#CCC(=O)NCCF WXVL_AK00466SB3070 [0,1,0,0,0,0|2,0,1]=4 77 B8R0.1 C#CCC(=O)NCCF WXVL_AK00466SB3070 [0,1,0,0,0,0|2,0,1]=4 78 B8R0.1 C#CCCC(=O)NCC WXVL_AK00476SB2189 [0,1,0,0,0,0|1,0,2]=4 79 B8R0.1 C#CCCC(=O)NCC WXVL_AK00476SB2189 [0,1,0,0,0,0|1,0,2]=4 80 B8R0.1 C/C=C/C(=O)NCCC WXVL_AK00504SB0340 [0,1,0,0,0,0|1,0,1]=3 81 B8R0.1 C/C=C/C(=O)NCCC WXVL_AK00504SB0340 [0,1,0,0,0,0|1,0,1]=3 82 B8R0.1 C/C=C/C(=O)NCCF WXVL_AK00466SB0340 [0,1,0,0,0,0|2,0,1]=4 83 B8R0.1 C/C=C/C(=O)NCCF WXVL_AK00466SB0340 [0,1,0,0,0,0|2,0,1]=4 84 B8R0.1 C=CCC(=O)NCCC WXVL_AK00504SB2732 [0,1,0,0,0,0|1,0,1]=3 85 B8R0.1 C=CCC(=O)NCCC WXVL_AK00504SB2732 [0,1,0,0,0,0|1,0,1]=3 86 B8R0.1 C=CCC(=O)NCCF WXVL_AK00466SB2732 [0,1,0,0,0,0|2,0,1]=4 87 B8R0.1 C=CCC(=O)NCCF WXVL_AK00466SB2732 [0,1,0,0,0,0|2,0,1]=4 88 B8R0.1 C=CCCC(=O)NCC WXVL_AK00476SB1035 [0,1,0,0,0,0|1,0,2]=4 89 B8R0.1 C=CCCC(=O)NCC WXVL_AK00476SB1035 [0,1,0,0,0,0|1,0,2]=4 90 B8R0.1 C=CCNC(=O)CCC WXVL_AK00561SB0073 [0,1,0,0,0,0|1,0,2]=4 91 B8R0.1 C=CCNC(=O)CCC WXVL_AK00561SB0073 [0,1,0,0,0,0|1,0,2]=4 92 B8R0.1 C=CCNC(=O)COC WXVL_AK00561SB0090 [0,1,0,0,0,0|1,0,2]=4 93 B8R0.1 C=CCNC(=O)COC WXVL_AK00561SB0090 [0,1,0,0,0,0|1,0,2]=4 94 B8R0.1 C=CCNC(=O)CSC WXVL_AK00561SB1267 [0,1,0,0,0,0|1,0,2]=4 95 B8R0.1 C=CCNC(=O)CSC WXVL_AK00561SB1267 [0,1,0,0,0,0|1,0,2]=4 96 B8R0.1 CC#CC(=O)NCCC WXVL_AK00504SB1240 [0,1,0,0,0,0|1,0,1]=3 97 B8R0.1 CC#CC(=O)NCCC WXVL_AK00504SB1240 [0,1,0,0,0,0|1,0,1]=3 98 B8R0.1 CC#CC(=O)NCCF WXVL_AK00466SB1240 [0,1,0,0,0,0|2,0,1]=4 99 B8R0.1 CC#CC(=O)NCCF WXVL_AK00466SB1240 [0,1,0,0,0,0|2,0,1]=4 100 B8R0.1 CCCC(=O)NCC#N WXVL_AK0683SB0073 [0,1,0,0,0,0|2,0,1]=4 101 B8R0.1 CCCC(=O)NCC#N WXVL_AK0683SB0073 [0,1,0,0,0,0|2,0,1]=4 102 B8R0.1 CCCC(=O)NCCF WXVL_AK00466SB0073 [0,1,0,0,0,0|2,0,0]=3 103 B8R0.1 CCCC(=O)NCCF WXVL_AK00466SB0073 [0,1,0,0,0,0|2,0,0]=3 104 B8R0.1 CCCNC(=O)CC#N WXVL_AK00504SB0057 [0,1,0,0,0,0|1,0,1]=3 105 B8R0.1 CCCNC(=O)CC#N WXVL_AK00504SB0057 [0,1,0,0,0,0|1,0,1]=3 106 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [0,1,0,0,0,0|1,0,0]=2 107 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [0,1,0,0,0,0|1,0,0]=2 108 B8R0.1 CCCNC(=O)COC WXVL_AK00504SB0090 [0,1,0,0,0,0|1,0,0]=2 109 B8R0.1 CCCNC(=O)COC WXVL_AK00504SB0090 [0,1,0,0,0,0|1,0,0]=2 110 B8R0.1 CCCNC(=O)CSC WXVL_AK00504SB1267 [0,1,0,0,0,0|1,0,0]=2 111 B8R0.1 CCCNC(=O)CSC WXVL_AK00504SB1267 [0,1,0,0,0,0|1,0,0]=2 112 B8R0.1 CCNC(=O)/C=C/CBr WXVL_AK00476SB0424 [0,1,0,0,0,0|2,0,1]=4 113 B8R0.1 CCNC(=O)/C=C/CBr WXVL_AK00476SB0424 [0,1,0,0,0,0|2,0,1]=4 114 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [0,1,0,0,0,0|2,0,0]=3 115 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [0,1,0,0,0,0|2,0,0]=3 116 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [0,1,0,0,0,0|2,0,0]=3 117 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [0,1,0,0,0,0|2,0,0]=3 118 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [0,1,0,0,0,0|2,0,0]=3 119 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [0,1,0,0,0,0|2,0,0]=3 120 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [0,1,0,0,0,0|2,0,0]=3 121 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [0,1,0,0,0,0|2,0,0]=3 122 B8R0.1 CCNC(=O)NCCCl WXVL_AK00476YV0092 [0,1,0,0,0,0|2,0,0]=3 123 B8R0.1 CCNC(=O)NCCCl WXVL_AK00476YV0092 [0,1,0,0,0,0|2,0,0]=3 124 B8R0.1 COCC(=O)NCC#N WXVL_AK0683SB0090 [0,1,0,0,0,0|2,0,1]=4 125 B8R0.1 COCC(=O)NCC#N WXVL_AK0683SB0090 [0,1,0,0,0,0|2,0,1]=4 126 B8R0.1 COCC(=O)NCCF WXVL_AK00466SB0090 [0,1,0,0,0,0|2,0,0]=3 127 B8R0.1 COCC(=O)NCCF WXVL_AK00466SB0090 [0,1,0,0,0,0|2,0,0]=3 128 B8R0.1 CSCC(=O)NCC#N WXVL_AK0683SB1267 [0,1,0,0,0,0|2,0,1]=4 129 B8R0.1 CSCC(=O)NCC#N WXVL_AK0683SB1267 [0,1,0,0,0,0|2,0,1]=4 130 B8R0.1 CSCC(=O)NCCF WXVL_AK00466SB1267 [0,1,0,0,0,0|2,0,0]=3 131 B8R0.1 CSCC(=O)NCCF WXVL_AK00466SB1267 [0,1,0,0,0,0|2,0,0]=3 132 B8R0.1 N#CCC(=O)NCCF WXVL_AK00466SB0057 [0,1,0,0,0,0|2,0,1]=4 133 B8R0.1 N#CCC(=O)NCCF WXVL_AK00466SB0057 [0,1,0,0,0,0|2,0,1]=4 134 B8R0.3 CC/C=C(\C)/C(=O)NC WXVL_AK00442SB0037 [0,1,0,0,0,0|2,0,1]=4 135 B8R0.3 CC/C=C(\C)/C(=O)NC WXVL_AK00442SB0037 [0,1,0,0,0,0|2,0,1]=4 136 B8R0.3 CCC(=O)N(C)CC#N WXVL_AN2942SB0064 [0,1,0,0,0,0|2,0,1]=4 137 B8R0.3 CCC(=O)N(C)CC#N WXVL_AN2942SB0064 [0,1,0,0,0,0|2,0,1]=4 138 B8R0.3 CCC(=O)N(C)CCO WXVL_AN2670SB0064 [0,1,0,0,0,0|2,0,0]=3 139 B8R0.3 CCC(=O)N(C)CCO WXVL_AN2670SB0064 [0,1,0,0,0,0|2,0,0]=3 140 B8R0.3 CCCC(C)C(=O)NC WXVL_AK00442SB0352 [0,1,0,0,0,0|2,0,0]=3 141 B8R0.3 CCCC(C)C(=O)NC WXVL_AK00442SB0352 [0,1,0,0,0,0|2,0,0]=3 142 B8R0.3 CCC[C@H](O)C(=O)NC WXVL_AK00442SB3627 [0,1,0,0,0,0|2,0,0]=3 143 B8R0.3 CCC[C@H](O)C(=O)NC WXVL_AK00442SB3627 [0,1,0,0,0,0|2,0,0]=3 144 B8R0.3 CCNC(=O)C(=O)CC WXVL_AK00476SB0344 [0,1,0,0,0,0|2,0,0]=3 145 B8R0.3 CCNC(=O)C(=O)CC WXVL_AK00476SB0344 [0,1,0,0,0,0|2,0,0]=3 146 B8R0.3 CCOC(=O)C(=O)NC WXVL_AK00442SB4144 [0,1,0,0,0,0|3,0,0]=4 147 B8R0.3 CCOC(=O)C(=O)NC WXVL_AK00442SB4144 [0,1,0,0,0,0|3,0,0]=4 148 B8R0.3 CN(CCO)C(=O)CO WXVL_AN2670SB2706 [0,1,0,0,0,0|3,0,0]=4 149 B8R0.3 CN(CCO)C(=O)CO WXVL_AN2670SB2706 [0,1,0,0,0,0|3,0,0]=4 150 B8R0.6 C#CC(=O)NCCCC WXVL_AK00588SB0338 [0,1,0,0,0,0|1,0,2]=4 151 B8R0.6 C#CC(=O)NCCCC WXVL_AK00588SB0338 [0,1,0,0,0,0|1,0,2]=4 152 B8R0.6 C#CC(=O)NCCCO WXVL_AK0073SB0338 [0,1,0,0,0,0|1,0,2]=4 153 B8R0.6 C#CC(=O)NCCCO WXVL_AK0073SB0338 [0,1,0,0,0,0|1,0,2]=4 154 B8R0.6 C#CC(=O)NCCSC WXVL_AK00440SB0338 [0,1,0,0,0,0|1,0,2]=4 155 B8R0.6 C#CC(=O)NCCSC WXVL_AK00440SB0338 [0,1,0,0,0,0|1,0,2]=4 156 B8R0.6 C#CCCCC(=O)NC WXVL_AK00442SB2709 [0,1,0,0,0,0|2,0,1]=4 157 B8R0.6 C#CCCCC(=O)NC WXVL_AK00442SB2709 [0,1,0,0,0,0|2,0,1]=4 158 B8R0.6 C#CCCNC(=O)CC WXVL_AK3109SB0064 [0,1,0,0,0,0|1,0,1]=3 159 B8R0.6 C#CCCNC(=O)CC WXVL_AK3109SB0064 [0,1,0,0,0,0|1,0,1]=3 160 B8R0.6 C#CCCNC(=O)CO WXVL_AK3109SB2706 [0,1,0,0,0,0|2,0,1]=4 161 B8R0.6 C#CCCNC(=O)CO WXVL_AK3109SB2706 [0,1,0,0,0,0|2,0,1]=4 162 B8R0.6 C=CCCCC(=O)NC WXVL_AK00442SB2920 [0,1,0,0,0,0|2,0,1]=4 163 B8R0.6 C=CCCCC(=O)NC WXVL_AK00442SB2920 [0,1,0,0,0,0|2,0,1]=4 164 B8R0.6 C=CCCNC(=O)CC WXVL_AK00138SB0064 [0,1,0,0,0,0|1,0,1]=3 165 B8R0.6 C=CCCNC(=O)CC WXVL_AK00138SB0064 [0,1,0,0,0,0|1,0,1]=3 166 B8R0.6 C=CCCNC(=O)CO WXVL_AK00138SB2706 [0,1,0,0,0,0|2,0,1]=4 167 B8R0.6 C=CCCNC(=O)CO WXVL_AK00138SB2706 [0,1,0,0,0,0|2,0,1]=4 168 B8R0.6 CC/C=C/CC(=O)NC WXVL_AK00442SB0349 [0,1,0,0,0,0|2,0,1]=4 169 B8R0.6 CC/C=C/CC(=O)NC WXVL_AK00442SB0349 [0,1,0,0,0,0|2,0,1]=4 170 B8R0.6 CCC(=O)NCCC#N WXVL_AK0087SB0064 [0,1,0,0,0,0|1,0,1]=3 171 B8R0.6 CCC(=O)NCCC#N WXVL_AK0087SB0064 [0,1,0,0,0,0|1,0,1]=3 172 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [0,1,0,0,0,0|1,0,0]=2 173 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [0,1,0,0,0,0|1,0,0]=2 174 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [0,1,0,0,0,0|1,0,0]=2 175 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [0,1,0,0,0,0|1,0,0]=2 176 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [0,1,0,0,0,0|1,0,0]=2 177 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [0,1,0,0,0,0|1,0,0]=2 178 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [0,1,0,0,0,0|2,0,0]=3 179 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [0,1,0,0,0,0|2,0,0]=3 180 B8R0.6 CCO/C=C/C(=O)NC WXVL_AK00442SB3226 [0,1,0,0,0,0|2,0,1]=4 181 B8R0.6 CCO/C=C/C(=O)NC WXVL_AK00442SB3226 [0,1,0,0,0,0|2,0,1]=4 182 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [0,1,0,0,0,0|2,0,0]=3 183 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [0,1,0,0,0,0|2,0,0]=3 184 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [0,1,0,0,0,0|2,0,0]=3 185 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [0,1,0,0,0,0|2,0,0]=3 186 B8R0.6 CNC(=O)NCCCCl WXVL_AK00442YV0130 [0,1,0,0,0,0|2,0,0]=3 187 B8R0.6 CNC(=O)NCCCCl WXVL_AK00442YV0130 [0,1,0,0,0,0|2,0,0]=3 188 B8R0.6 CSCCNC(=O)CO WXVL_AK00440SB2706 [0,1,0,0,0,0|2,0,0]=3 189 B8R0.6 CSCCNC(=O)CO WXVL_AK00440SB2706 [0,1,0,0,0,0|2,0,0]=3 190 B8R0.6 N#CCCNC(=O)CO WXVL_AK0087SB2706 [0,1,0,0,0,0|2,0,1]=4 191 B8R0.6 N#CCCNC(=O)CO WXVL_AK0087SB2706 [0,1,0,0,0,0|2,0,1]=4 192 B8R0.6 O=C(CO)NCCCO WXVL_AK0073SB2706 [0,1,0,0,0,0|2,0,0]=3 193 B8R0.6 O=C(CO)NCCCO WXVL_AK0073SB2706 [0,1,0,0,0,0|2,0,0]=3 194 B8R0.8 C=C(F)C(=O)NCCC WXVL_AK00504SB1376 [0,1,0,0,0,0|1,0,2]=4 195 B8R0.8 C=C(F)C(=O)NCCC WXVL_AK00504SB1376 [0,1,0,0,0,0|1,0,2]=4 196 B8R0.8 C=CCNC(=O)C(C)C WXVL_AK00561SB0052 [0,1,0,0,0,0|1,0,2]=4 197 B8R0.8 C=CCNC(=O)C(C)C WXVL_AK00561SB0052 [0,1,0,0,0,0|1,0,2]=4 198 B8R0.8 C=CCNC(=O)C(C)S WXVL_AK00561SB2708 [0,1,0,0,0,0|1,0,2]=4 199 B8R0.8 C=CCNC(=O)C(C)S WXVL_AK00561SB2708 [0,1,0,0,0,0|1,0,2]=4 200 B8R0.8 C=CCNC(=O)[C@@H](C)O WXVL_AK00561SB1085 [0,1,0,0,0,0|1,0,2]=4 201 B8R0.8 C=CCNC(=O)[C@@H](C)O WXVL_AK00561SB1085 [0,1,0,0,0,0|1,0,2]=4 202 B8R0.8 CC(=O)C(=O)NCCF WXVL_AK00466SB0051 [0,1,0,0,0,0|2,0,1]=4 203 B8R0.8 CC(=O)C(=O)NCCF WXVL_AK00466SB0051 [0,1,0,0,0,0|2,0,1]=4 204 B8R0.8 CC(C)C(=O)NCC#N WXVL_AK0683SB0052 [0,1,0,0,0,0|2,0,1]=4 205 B8R0.8 CC(C)C(=O)NCC#N WXVL_AK0683SB0052 [0,1,0,0,0,0|2,0,1]=4 206 B8R0.8 CC(C)C(=O)NCCF WXVL_AK00466SB0052 [0,1,0,0,0,0|2,0,0]=3 207 B8R0.8 CC(C)C(=O)NCCF WXVL_AK00466SB0052 [0,1,0,0,0,0|2,0,0]=3 208 B8R0.8 CC(S)C(=O)NCC#N WXVL_AK0683SB2708 [0,1,0,0,0,0|2,0,1]=4 209 B8R0.8 CC(S)C(=O)NCC#N WXVL_AK0683SB2708 [0,1,0,0,0,0|2,0,1]=4 210 B8R0.8 CC(S)C(=O)NCCF WXVL_AK00466SB2708 [0,1,0,0,0,0|2,0,0]=3 211 B8R0.8 CC(S)C(=O)NCCF WXVL_AK00466SB2708 [0,1,0,0,0,0|2,0,0]=3 212 B8R0.8 CCCNC(=O)C(=O)C WXVL_AK00504SB0051 [0,1,0,0,0,0|1,0,1]=3 213 B8R0.8 CCCNC(=O)C(=O)C WXVL_AK00504SB0051 [0,1,0,0,0,0|1,0,1]=3 214 B8R0.8 CCCNC(=O)C(=O)N WXVL_AK00504SB0128 [0,1,0,0,0,0|2,0,1]=4 215 B8R0.8 CCCNC(=O)C(=O)N WXVL_AK00504SB0128 [0,1,0,0,0,0|2,0,1]=4 216 B8R0.8 CCCNC(=O)C(C)C WXVL_AK00504SB0052 [0,1,0,0,0,0|1,0,0]=2 217 B8R0.8 CCCNC(=O)C(C)C WXVL_AK00504SB0052 [0,1,0,0,0,0|1,0,0]=2 218 B8R0.8 CCCNC(=O)C(C)S WXVL_AK00504SB2708 [0,1,0,0,0,0|1,0,0]=2 219 B8R0.8 CCCNC(=O)C(C)S WXVL_AK00504SB2708 [0,1,0,0,0,0|1,0,0]=2 220 B8R0.8 CCCNC(=O)C(F)F WXVL_AK00504SB0079 [0,1,0,0,0,0|2,0,0]=3 221 B8R0.8 CCCNC(=O)C(F)F WXVL_AK00504SB0079 [0,1,0,0,0,0|2,0,0]=3 222 B8R0.8 CCCNC(=O)[C@@H](C)O WXVL_AK00504SB1085 [0,1,0,0,0,0|1,0,0]=2 223 B8R0.8 CCCNC(=O)[C@@H](C)O WXVL_AK00504SB1085 [0,1,0,0,0,0|1,0,0]=2 224 B8R0.8 CCOCC(=O)N(C)C WXVL_AN0032SB0091 [0,1,0,0,0,0|3,0,0]=4 225 B8R0.8 CCOCC(=O)N(C)C WXVL_AN0032SB0091 [0,1,0,0,0,0|3,0,0]=4 226 B8R0.8 CCSCC(=O)N(C)C WXVL_AN0032SB0002 [0,1,0,0,0,0|3,0,0]=4 227 B8R0.8 CCSCC(=O)N(C)C WXVL_AN0032SB0002 [0,1,0,0,0,0|3,0,0]=4 228 B8R0.8 CN(C)C(=O)NCCCl WXVL_AN0032YV0092 [0,1,0,0,0,0|3,0,0]=4 229 B8R0.8 CN(C)C(=O)NCCCl WXVL_AN0032YV0092 [0,1,0,0,0,0|3,0,0]=4 230 B8R0.8 COCCC(=O)N(C)C WXVL_AN0032SB0156 [0,1,0,0,0,0|3,0,0]=4 231 B8R0.8 COCCC(=O)N(C)C WXVL_AN0032SB0156 [0,1,0,0,0,0|3,0,0]=4 232 B8R0.8 CSCCC(=O)N(C)C WXVL_AN0032SB0361 [0,1,0,0,0,0|3,0,0]=4 233 B8R0.8 CSCCC(=O)N(C)C WXVL_AN0032SB0361 [0,1,0,0,0,0|3,0,0]=4 234 B8R0.8 C[C@@H](O)C(=O)NCC#N WXVL_AK0683SB1085 [0,1,0,0,0,0|2,0,1]=4 235 B8R0.8 C[C@@H](O)C(=O)NCC#N WXVL_AK0683SB1085 [0,1,0,0,0,0|2,0,1]=4 236 B8R0.8 C[C@@H](O)C(=O)NCCF WXVL_AK00466SB1085 [0,1,0,0,0,0|2,0,0]=3 237 B8R0.8 C[C@@H](O)C(=O)NCCF WXVL_AK00466SB1085 [0,1,0,0,0,0|2,0,0]=3 238 B8R0.8 O=C(NCCF)C(F)F WXVL_AK00466SB0079 [0,1,0,0,0,0|3,0,0]=4 239 B8R0.8 O=C(NCCF)C(F)F WXVL_AK00466SB0079 [0,1,0,0,0,0|3,0,0]=4 240 B8R0.9 C#CC(=O)NCC(C)C WXVL_AK00544SB0338 [0,1,0,0,0,0|1,0,2]=4 241 B8R0.9 C#CC(=O)NCC(C)C WXVL_AK00544SB0338 [0,1,0,0,0,0|1,0,2]=4 242 B8R0.9 C#CC(=O)NCC(C)O WXVL_AK0052SB0338 [0,1,0,0,0,0|1,0,2]=4 243 B8R0.9 C#CC(=O)NCC(C)O WXVL_AK0052SB0338 [0,1,0,0,0,0|1,0,2]=4 244 B8R0.9 C#CC(=O)NC[C@H](C)O WXVL_AK0113SB0338 [0,1,0,0,0,0|1,0,2]=4 245 B8R0.9 C#CC(=O)NC[C@H](C)O WXVL_AK0113SB0338 [0,1,0,0,0,0|1,0,2]=4 246 B8R0.9 C=C(C)CNC(=O)CC WXVL_AK0761SB0064 [0,1,0,0,0,0|1,0,1]=3 247 B8R0.9 C=C(C)CNC(=O)CC WXVL_AK0761SB0064 [0,1,0,0,0,0|1,0,1]=3 248 B8R0.9 C=C(C)CNC(=O)CO WXVL_AK0761SB2706 [0,1,0,0,0,0|2,0,1]=4 249 B8R0.9 C=C(C)CNC(=O)CO WXVL_AK0761SB2706 [0,1,0,0,0,0|2,0,1]=4 250 B8R0.9 CC(C)CNC(=O)CO WXVL_AK00544SB2706 [0,1,0,0,0,0|2,0,0]=3 251 B8R0.9 CC(C)CNC(=O)CO WXVL_AK00544SB2706 [0,1,0,0,0,0|2,0,0]=3 252 B8R0.9 CC(O)CNC(=O)CO WXVL_AK0052SB2706 [0,1,0,0,0,0|2,0,0]=3 253 B8R0.9 CC(O)CNC(=O)CO WXVL_AK0052SB2706 [0,1,0,0,0,0|2,0,0]=3 254 B8R0.9 CCC(=O)NCC(=O)N WXVL_AK0147SB0064 [0,1,0,0,0,0|2,0,1]=4 255 B8R0.9 CCC(=O)NCC(=O)N WXVL_AK0147SB0064 [0,1,0,0,0,0|2,0,1]=4 256 B8R0.9 CCC(=O)NCC(C)C WXVL_AK00544SB0064 [0,1,0,0,0,0|1,0,0]=2 257 B8R0.9 CCC(=O)NCC(C)C WXVL_AK00544SB0064 [0,1,0,0,0,0|1,0,0]=2 258 B8R0.9 CCC(=O)NCC(C)O WXVL_AK0052SB0064 [0,1,0,0,0,0|1,0,0]=2 259 B8R0.9 CCC(=O)NCC(C)O WXVL_AK0052SB0064 [0,1,0,0,0,0|1,0,0]=2 260 B8R0.9 CCC(=O)NCC(F)F WXVL_AK0136SB0064 [0,1,0,0,0,0|2,0,0]=3 261 B8R0.9 CCC(=O)NCC(F)F WXVL_AK0136SB0064 [0,1,0,0,0,0|2,0,0]=3 262 B8R0.9 CCC(=O)NC[C@H](C)O WXVL_AK0113SB0064 [0,1,0,0,0,0|1,0,0]=2 263 B8R0.9 CCC(=O)NC[C@H](C)O WXVL_AK0113SB0064 [0,1,0,0,0,0|1,0,0]=2 264 B8R0.9 CNC(=O)/C=C/C(C)C WXVL_AK00442SB0036 [0,1,0,0,0,0|2,0,1]=4 265 B8R0.9 CNC(=O)/C=C/C(C)C WXVL_AK00442SB0036 [0,1,0,0,0,0|2,0,1]=4 266 B8R0.9 CNC(=O)CCC(=O)C WXVL_AK00442SB0072 [0,1,0,0,0,0|2,0,1]=4 267 B8R0.9 CNC(=O)CCC(=O)C WXVL_AK00442SB0072 [0,1,0,0,0,0|2,0,1]=4 268 B8R0.9 CNC(=O)CCC(C)C WXVL_AK00442SB0354 [0,1,0,0,0,0|2,0,0]=3 269 B8R0.9 CNC(=O)CCC(C)C WXVL_AK00442SB0354 [0,1,0,0,0,0|2,0,0]=3 270 B8R0.9 CNC(=O)CCN(C)C WXVL_AK00442SB00052 [0,1,0,0,0,0|3,0,0]=4 271 B8R0.9 CNC(=O)CCN(C)C WXVL_AK00442SB00052 [0,1,0,0,0,0|3,0,0]=4 272 B8R0.9 CNC(=O)COC(C)C WXVL_AK00442SB0213 [0,1,0,0,0,0|3,0,0]=4 273 B8R0.9 CNC(=O)COC(C)C WXVL_AK00442SB0213 [0,1,0,0,0,0|3,0,0]=4 274 B8R0.9 C[C@H](O)CNC(=O)CO WXVL_AK0113SB2706 [0,1,0,0,0,0|2,0,0]=3 275 B8R0.9 C[C@H](O)CNC(=O)CO WXVL_AK0113SB2706 [0,1,0,0,0,0|2,0,0]=3 276 B8R0.9 O=C(CO)NCC(F)F WXVL_AK0136SB2706 [0,1,0,0,0,0|3,0,0]=4 277 B8R0.9 O=C(CO)NCC(F)F WXVL_AK0136SB2706 [0,1,0,0,0,0|3,0,0]=4 278 B8R0.19 C#CC(=O)N[C@@H](C)CC WXVL_AK00678SB0338 [0,1,0,0,0,0|1,0,2]=4 279 B8R0.19 C#CC(=O)N[C@@H](C)CC WXVL_AK00678SB0338 [0,1,0,0,0,0|1,0,2]=4 280 B8R0.19 C#C[C@@H](C)NC(=O)CC WXVL_AK00735SB0064 [0,1,0,0,0,0|1,0,2]=4 281 B8R0.19 C#C[C@@H](C)NC(=O)CC WXVL_AK00735SB0064 [0,1,0,0,0,0|1,0,2]=4 282 B8R0.19 C=CC(C)NC(=O)CC WXVL_AK00769SB0064 [0,1,0,0,0,0|1,0,2]=4 283 B8R0.19 C=CC(C)NC(=O)CC WXVL_AK00769SB0064 [0,1,0,0,0,0|1,0,2]=4 284 B8R0.19 CCC(=O)NC(C)C#N WXVL_AK00810SB0064 [0,1,0,0,0,0|2,0,1]=4 285 B8R0.19 CCC(=O)NC(C)C#N WXVL_AK00810SB0064 [0,1,0,0,0,0|2,0,1]=4 286 B8R0.19 CCC(=O)N[C@@H](C)CC WXVL_AK00678SB0064 [0,1,0,0,0,0|1,0,0]=2 287 B8R0.19 CCC(=O)N[C@@H](C)CC WXVL_AK00678SB0064 [0,1,0,0,0,0|1,0,0]=2 288 B8R0.19 CCC(=O)N[C@@H](C)CF WXVL_AK00558SB0064 [0,1,0,0,0,0|2,0,0]=3 289 B8R0.19 CCC(=O)N[C@@H](C)CF WXVL_AK00558SB0064 [0,1,0,0,0,0|2,0,0]=3 290 B8R0.19 CCC(=O)N[C@@H](C)CO WXVL_AK0109SB0064 [0,1,0,0,0,0|2,0,0]=3 291 B8R0.19 CCC(=O)N[C@@H](C)CO WXVL_AK0109SB0064 [0,1,0,0,0,0|2,0,0]=3 292 B8R0.19 CCC(C)CC(=O)NC WXVL_AK00442SB0353 [0,1,0,0,0,0|2,0,0]=3 293 B8R0.19 CCC(C)CC(=O)NC WXVL_AK00442SB0353 [0,1,0,0,0,0|2,0,0]=3 294 B8R0.19 CCC(O)CC(=O)NC WXVL_AK00442SB4092 [0,1,0,0,0,0|2,0,0]=3 295 B8R0.19 CCC(O)CC(=O)NC WXVL_AK00442SB4092 [0,1,0,0,0,0|2,0,0]=3 296 B8R0.19 CC[C@@H](C)CC(=O)NC WXVL_AK00442SB8650 [0,1,0,0,0,0|2,0,0]=3 297 B8R0.19 CC[C@@H](C)CC(=O)NC WXVL_AK00442SB8650 [0,1,0,0,0,0|2,0,0]=3 298 B8R0.19 CC[C@H](C)NC(=O)CO WXVL_AK00678SB2706 [0,1,0,0,0,0|2,0,0]=3 299 B8R0.19 CC[C@H](C)NC(=O)CO WXVL_AK00678SB2706 [0,1,0,0,0,0|2,0,0]=3 300 B8R0.19 C[C@@H](CF)NC(=O)CO WXVL_AK00558SB2706 [0,1,0,0,0,0|3,0,0]=4 301 B8R0.19 C[C@@H](CF)NC(=O)CO WXVL_AK00558SB2706 [0,1,0,0,0,0|3,0,0]=4 302 B8R0.19 C[C@@H](CO)NC(=O)CO WXVL_AK0109SB2706 [0,1,0,0,0,0|3,0,0]=4 303 B8R0.19 C[C@@H](CO)NC(=O)CO WXVL_AK0109SB2706 [0,1,0,0,0,0|3,0,0]=4 304 B8R0.25 CCCCS(=O)(=O)NC WXVL_AK00442HU0031 [0,1,0,0,0,0|3,0,0]=4 305 B8R0.25 CCCCS(=O)(=O)NC WXVL_AK00442HU0031 [0,1,0,0,0,0|3,0,0]=4 306 B8R0.25 CCCNS(=O)(=O)CC WXVL_AK00504HU0028 [0,1,0,0,0,0|2,0,0]=3 307 B8R0.25 CCCNS(=O)(=O)CC WXVL_AK00504HU0028 [0,1,0,0,0,0|2,0,0]=3 308 B8R0.25 CCS(=O)(=O)NCCF WXVL_AK00466HU0028 [0,1,0,0,0,0|3,0,0]=4 309 B8R0.25 CCS(=O)(=O)NCCF WXVL_AK00466HU0028 [0,1,0,0,0,0|3,0,0]=4 310 B8R1.38 CNC(=O)C1CCC1 WXVL_AK00442SB0042 [0,0,0,1,0,0|2,0,0]=3 311 B8R1.38 CNC(=O)C1CCC1 WXVL_AK00442SB0042 [0,0,0,1,0,0|2,0,0]=3 312 B8R1.40 C#CC(=O)NC1CC1 WXVL_AK0001SB0338 [0,0,0,1,0,0|1,0,2]=4 313 B8R1.40 C#CC(=O)NC1CC1 WXVL_AK0001SB0338 [0,0,0,1,0,0|1,0,2]=4 314 B8R1.40 CCC(=O)NC1CC1 WXVL_AK0001SB0064 [0,0,0,1,0,0|1,0,0]=2 315 B8R1.40 CCC(=O)NC1CC1 WXVL_AK0001SB0064 [0,0,0,1,0,0|1,0,0]=2 316 B8R1.40 CNC(=O)CC1CC1 WXVL_AK00442SB0155 [0,0,0,1,0,0|2,0,0]=3 317 B8R1.40 CNC(=O)CC1CC1 WXVL_AK00442SB0155 [0,0,0,1,0,0|2,0,0]=3 318 B8R1.40 O=C(CO)NC1CC1 WXVL_AK0001SB2706 [0,0,0,1,0,0|2,0,0]=3 319 B8R1.40 O=C(CO)NC1CC1 WXVL_AK0001SB2706 [0,0,0,1,0,0|2,0,0]=3 320 B8R1.83 CNC(=O)C1CC1C WXVL_AK00442SB0041 [0,0,0,1,0,0|2,0,0]=3 321 B8R1.83 CNC(=O)C1CC1C WXVL_AK00442SB0041 [0,0,0,1,0,0|2,0,0]=3 322 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F WXVL_AK00442SB1245 [0,0,0,1,0,0|3,0,0]=4 323 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F WXVL_AK00442SB1245 [0,0,0,1,0,0|3,0,0]=4 324 B8R1.83 CNC(=O)[C@H]1C[C@H]1F WXVL_AK00442SB00019 [0,0,0,1,0,0|3,0,0]=4 325 B8R1.83 CNC(=O)[C@H]1C[C@H]1F WXVL_AK00442SB00019 [0,0,0,1,0,0|3,0,0]=4 326 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [2,0,0,0,0,0|1,0,0]=3 327 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [2,0,0,0,0,0|1,0,0]=3 328 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [2,0,0,0,0,0|1,0,0]=3 329 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [2,0,0,0,0,0|1,0,0]=3 330 B5R0.1 COCC(=O)N WXVL_AK0084SB0090 [2,0,0,0,0,0|2,0,0]=4 331 B5R0.1 COCC(=O)N WXVL_AK0084SB0090 [2,0,0,0,0,0|2,0,0]=4 332 B5R0.1 CSCC(=O)N WXVL_AK0084SB1267 [2,0,0,0,0,0|2,0,0]=4 333 B5R0.1 CSCC(=O)N WXVL_AK0084SB1267 [2,0,0,0,0,0|2,0,0]=4 334 B5R0.3 CCC(=O)NC WXVL_AK00442SB0064 [2,0,0,0,0,0|1,0,0]=3 335 B5R0.3 CCC(=O)NC WXVL_AK00442SB0064 [2,0,0,0,0,0|1,0,0]=3 336 B5R0.3 CNC(=O)CO WXVL_AK00442SB2706 [2,0,0,0,0,0|2,0,0]=4 337 B5R0.3 CNC(=O)CO WXVL_AK00442SB2706 [2,0,0,0,0,0|2,0,0]=4 338 B7R0.2 CC(C)NC(=O)CO WXVL_AK0030SB2706 [1,1,0,0,0,0|2,0,0]=4 339 B7R0.2 CC(C)NC(=O)CO WXVL_AK0030SB2706 [1,1,0,0,0,0|2,0,0]=4 340 B7R0.2 CCC(=O)NC(C)C WXVL_AK0030SB0064 [1,1,0,0,0,0|1,0,0]=3 341 B7R0.2 CCC(=O)NC(C)C WXVL_AK0030SB0064 [1,1,0,0,0,0|1,0,0]=3 342 B7R0.2 CNC(=O)CC(C)C WXVL_AK00442SB0063 [1,1,0,0,0,0|1,0,0]=3 343 B7R0.2 CNC(=O)CC(C)C WXVL_AK00442SB0063 [1,1,0,0,0,0|1,0,0]=3 344 B7R0.2 CNC(=O)CC(C)O WXVL_AK00442SB3643 [1,1,0,0,0,0|1,0,0]=3 345 B7R0.2 CNC(=O)CC(C)O WXVL_AK00442SB3643 [1,1,0,0,0,0|1,0,0]=3 346 B7R0.2 CNC(=O)CN(C)C WXVL_AK00442SB0085 [1,1,0,0,0,0|2,0,0]=4 347 B7R0.2 CNC(=O)CN(C)C WXVL_AK00442SB0085 [1,1,0,0,0,0|2,0,0]=4 348 B7R0.5 CCCC(=O)N(C)C WXVL_AN0032SB0073 [1,1,0,0,0,0|1,0,0]=3 349 B7R0.5 CCCC(=O)N(C)C WXVL_AN0032SB0073 [1,1,0,0,0,0|1,0,0]=3 350 B7R0.5 CCNC(=O)C(=O)C WXVL_AK00476SB0051 [1,1,0,0,0,0|1,0,1]=4 351 B7R0.5 CCNC(=O)C(=O)C WXVL_AK00476SB0051 [1,1,0,0,0,0|1,0,1]=4 352 B7R0.5 CCNC(=O)C(C)C WXVL_AK00476SB0052 [1,1,0,0,0,0|1,0,0]=3 353 B7R0.5 CCNC(=O)C(C)C WXVL_AK00476SB0052 [1,1,0,0,0,0|1,0,0]=3 354 B7R0.5 CCNC(=O)C(C)S WXVL_AK00476SB2708 [1,1,0,0,0,0|1,0,0]=3 355 B7R0.5 CCNC(=O)C(C)S WXVL_AK00476SB2708 [1,1,0,0,0,0|1,0,0]=3 356 B7R0.5 CCNC(=O)C(F)F WXVL_AK00476SB0079 [1,1,0,0,0,0|2,0,0]=4 357 B7R0.5 CCNC(=O)C(F)F WXVL_AK00476SB0079 [1,1,0,0,0,0|2,0,0]=4 358 B7R0.5 CCNC(=O)[C@@H](C)O WXVL_AK00476SB1085 [1,1,0,0,0,0|1,0,0]=3 359 B7R0.5 CCNC(=O)[C@@H](C)O WXVL_AK00476SB1085 [1,1,0,0,0,0|1,0,0]=3 360 B7R0.5 CCOC(=O)C(=O)N WXVL_AK0084SB4144 [1,1,0,0,0,0|1,0,1]=4 361 B7R0.5 CCOC(=O)C(=O)N WXVL_AK0084SB4144 [1,1,0,0,0,0|1,0,1]=4 362 B7R0.5 COCC(=O)N(C)C WXVL_AN0032SB0090 [1,1,0,0,0,0|2,0,0]=4 363 B7R0.5 COCC(=O)N(C)C WXVL_AN0032SB0090 [1,1,0,0,0,0|2,0,0]=4 364 B7R0.5 CSCC(=O)N(C)C WXVL_AN0032SB1267 [1,1,0,0,0,0|2,0,0]=4 365 B7R0.5 CSCC(=O)N(C)C WXVL_AN0032SB1267 [1,1,0,0,0,0|2,0,0]=4 366 B7R0.7 C#CCC(=O)NCC WXVL_AK00476SB3070 [1,1,0,0,0,0|0,0,2]=4 367 B7R0.7 C#CCC(=O)NCC WXVL_AK00476SB3070 [1,1,0,0,0,0|0,0,2]=4 368 B7R0.7 C/C=C/C(=O)NCC WXVL_AK00476SB0340 [1,1,0,0,0,0|0,0,2]=4 369 B7R0.7 C/C=C/C(=O)NCC WXVL_AK00476SB0340 [1,1,0,0,0,0|0,0,2]=4 370 B7R0.7 C=CCC(=O)NCC WXVL_AK00476SB2732 [1,1,0,0,0,0|0,0,2]=4 371 B7R0.7 C=CCC(=O)NCC WXVL_AK00476SB2732 [1,1,0,0,0,0|0,0,2]=4 372 B7R0.7 CC#CC(=O)NCC WXVL_AK00476SB1240 [1,1,0,0,0,0|0,0,2]=4 373 B7R0.7 CC#CC(=O)NCC WXVL_AK00476SB1240 [1,1,0,0,0,0|0,0,2]=4 374 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [1,1,0,0,0,0|0,0,0]=2 375 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [1,1,0,0,0,0|0,0,0]=2 376 B7R0.7 CCNC(=O)CC#N WXVL_AK00476SB0057 [1,1,0,0,0,0|1,0,1]=4 377 B7R0.7 CCNC(=O)CC#N WXVL_AK00476SB0057 [1,1,0,0,0,0|1,0,1]=4 378 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [1,1,0,0,0,0|1,0,0]=3 379 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [1,1,0,0,0,0|1,0,0]=3 380 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [1,1,0,0,0,0|1,0,0]=3 381 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [1,1,0,0,0,0|1,0,0]=3 382 B7R0.10 CCC(=O)C(=O)NC WXVL_AK00442SB0344 [1,1,0,0,0,0|1,0,1]=4 383 B7R0.10 CCC(=O)C(=O)NC WXVL_AK00442SB0344 [1,1,0,0,0,0|1,0,1]=4 384 B7R0.10 CCC(C)C(=O)NC WXVL_AK00442SB0054 [1,1,0,0,0,0|1,0,0]=3 385 B7R0.10 CCC(C)C(=O)NC WXVL_AK00442SB0054 [1,1,0,0,0,0|1,0,0]=3 386 B7R0.10 CC[C@@H](C)C(=O)NC WXVL_AK00442SB00054 [1,1,0,0,0,0|1,0,0]=3 387 B7R0.10 CC[C@@H](C)C(=O)NC WXVL_AK00442SB00054 [1,1,0,0,0,0|1,0,0]=3 388 B7R0.10 CC[C@H](O)C(=O)NC WXVL_AK00442SB3573 [1,1,0,0,0,0|1,0,0]=3 389 B7R0.10 CC[C@H](O)C(=O)NC WXVL_AK00442SB3573 [1,1,0,0,0,0|1,0,0]=3 390 B7R0.10 CNC(=O)[C@@H](C)OC WXVL_AK00442SB2926 [1,1,0,0,0,0|2,0,0]=4 391 B7R0.10 CNC(=O)[C@@H](C)OC WXVL_AK00442SB2926 [1,1,0,0,0,0|2,0,0]=4 392 B7R0.11 CCCS(=O)(=O)NC WXVL_AK00442HU0030 [1,1,0,0,0,0|2,0,0]=4 393 B7R0.11 CCCS(=O)(=O)NC WXVL_AK00442HU0030 [1,1,0,0,0,0|2,0,0]=4 394 B7R0.11 CCNS(=O)(=O)CC WXVL_AK00476HU0028 [1,1,0,0,0,0|2,0,0]=4 395 B7R0.11 CCNS(=O)(=O)CC WXVL_AK00476HU0028 [1,1,0,0,0,0|2,0,0]=4 396 B7R0.4 C#CCCNC(=O)C WXVL_AK3109SB0150 [1,1,0,0,0,0|1,0,1]=4 397 B7R0.4 C#CCCNC(=O)C WXVL_AK3109SB0150 [1,1,0,0,0,0|1,0,1]=4 398 B7R0.4 C=CCCNC(=O)C WXVL_AK00138SB0150 [1,1,0,0,0,0|1,0,1]=4 399 B7R0.4 C=CCCNC(=O)C WXVL_AK00138SB0150 [1,1,0,0,0,0|1,0,1]=4 400 B7R0.4 CC(=O)NCCC#N WXVL_AK0087SB0150 [1,1,0,0,0,0|1,0,1]=4 401 B7R0.4 CC(=O)NCCC#N WXVL_AK0087SB0150 [1,1,0,0,0,0|1,0,1]=4 402 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [1,1,0,0,0,0|1,0,0]=3 403 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [1,1,0,0,0,0|1,0,0]=3 404 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [1,1,0,0,0,0|1,0,0]=3 405 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [1,1,0,0,0,0|1,0,0]=3 406 B7R0.4 CSCCNC(=O)C WXVL_AK00440SB0150 [1,1,0,0,0,0|1,0,0]=3 407 B7R0.4 CSCCNC(=O)C WXVL_AK00440SB0150 [1,1,0,0,0,0|1,0,0]=3 408 B7R0.4 NC(=O)CCCCBr WXVL_AK0084SB3153 [1,1,0,0,0,0|2,0,0]=4 409 B7R0.4 NC(=O)CCCCBr WXVL_AK0084SB3153 [1,1,0,0,0,0|2,0,0]=4 410 B7R0.4 NC(=O)CCCCCl WXVL_AK0084SB0379 [1,1,0,0,0,0|2,0,0]=4 411 B7R0.4 NC(=O)CCCCCl WXVL_AK0084SB0379 [1,1,0,0,0,0|2,0,0]=4 412 B7R0.6 C=C(C)CNC(=O)C WXVL_AK0761SB0150 [1,1,0,0,0,0|1,0,1]=4 413 B7R0.6 C=C(C)CNC(=O)C WXVL_AK0761SB0150 [1,1,0,0,0,0|1,0,1]=4 414 B7R0.6 CC(=O)NCC(C)C WXVL_AK00544SB0150 [1,1,0,0,0,0|1,0,0]=3 415 B7R0.6 CC(=O)NCC(C)C WXVL_AK00544SB0150 [1,1,0,0,0,0|1,0,0]=3 416 B7R0.6 CC(=O)NCC(C)O WXVL_AK0052SB0150 [1,1,0,0,0,0|1,0,0]=3 417 B7R0.6 CC(=O)NCC(C)O WXVL_AK0052SB0150 [1,1,0,0,0,0|1,0,0]=3 418 B7R0.6 CC(=O)NCC(F)F WXVL_AK0136SB0150 [1,1,0,0,0,0|2,0,0]=4 419 B7R0.6 CC(=O)NCC(F)F WXVL_AK0136SB0150 [1,1,0,0,0,0|2,0,0]=4 420 B7R0.6 CC(=O)NC[C@H](C)O WXVL_AK0113SB0150 [1,1,0,0,0,0|1,0,0]=3 421 B7R0.6 CC(=O)NC[C@H](C)O WXVL_AK0113SB0150 [1,1,0,0,0,0|1,0,0]=3 422 B7R0.6 CC(=O)OCC(=O)N WXVL_AK0084SB2824 [1,1,0,0,0,0|1,0,1]=4 423 B7R0.6 CC(=O)OCC(=O)N WXVL_AK0084SB2824 [1,1,0,0,0,0|1,0,1]=4 424 B7R0.6 CC(C)CCC(=O)N WXVL_AK0084SB0354 [1,1,0,0,0,0|2,0,0]=4 425 B7R0.6 CC(C)CCC(=O)N WXVL_AK0084SB0354 [1,1,0,0,0,0|2,0,0]=4 426 B9R0.4 CC(C)CC(=O)NCCF WXVL_AK00466SB0063 [0,2,0,0,0,0|2,0,0]=4 427 B9R0.4 CC(C)CC(=O)NCCF WXVL_AK00466SB0063 [0,2,0,0,0,0|2,0,0]=4 428 B9R0.4 CC(C)NC(=O)NCCCl WXVL_AK0030YV0092 [0,2,0,0,0,0|2,0,0]=4 429 B9R0.4 CC(C)NC(=O)NCCCl WXVL_AK0030YV0092 [0,2,0,0,0,0|2,0,0]=4 430 B9R0.4 CC(O)CC(=O)NCCF WXVL_AK00466SB3643 [0,2,0,0,0,0|2,0,0]=4 431 B9R0.4 CC(O)CC(=O)NCCF WXVL_AK00466SB3643 [0,2,0,0,0,0|2,0,0]=4 432 B9R0.4 CCCNC(=O)C=C(C)C WXVL_AK00504SB0342 [0,2,0,0,0,0|1,0,1]=4 433 B9R0.4 CCCNC(=O)C=C(C)C WXVL_AK00504SB0342 [0,2,0,0,0,0|1,0,1]=4 434 B9R0.4 CCCNC(=O)CC(C)C WXVL_AK00504SB0063 [0,2,0,0,0,0|1,0,0]=3 435 B9R0.4 CCCNC(=O)CC(C)C WXVL_AK00504SB0063 [0,2,0,0,0,0|1,0,0]=3 436 B9R0.4 CCCNC(=O)CC(C)O WXVL_AK00504SB3643 [0,2,0,0,0,0|1,0,0]=3 437 B9R0.4 CCCNC(=O)CC(C)O WXVL_AK00504SB3643 [0,2,0,0,0,0|1,0,0]=3 438 B9R0.4 CCCNC(=O)CN(C)C WXVL_AK00504SB0085 [0,2,0,0,0,0|1,0,0]=3 439 B9R0.4 CCCNC(=O)CN(C)C WXVL_AK00504SB0085 [0,2,0,0,0,0|1,0,0]=3 440 B9R0.4 CCOCC(=O)NC(C)C WXVL_AK0030SB0091 [0,2,0,0,0,0|2,0,0]=4 441 B9R0.4 CCOCC(=O)NC(C)C WXVL_AK0030SB0091 [0,2,0,0,0,0|2,0,0]=4 442 B9R0.4 CCSCC(=O)NC(C)C WXVL_AK0030SB0002 [0,2,0,0,0,0|2,0,0]=4 443 B9R0.4 CCSCC(=O)NC(C)C WXVL_AK0030SB0002 [0,2,0,0,0,0|2,0,0]=4 444 B9R0.4 CN(C)CC(=O)NCCF WXVL_AK00466SB0085 [0,2,0,0,0,0|2,0,0]=4 445 B9R0.4 CN(C)CC(=O)NCCF WXVL_AK00466SB0085 [0,2,0,0,0,0|2,0,0]=4 446 B9R0.4 COCCC(=O)NC(C)C WXVL_AK0030SB0156 [0,2,0,0,0,0|2,0,0]=4 447 B9R0.4 COCCC(=O)NC(C)C WXVL_AK0030SB0156 [0,2,0,0,0,0|2,0,0]=4 448 B9R0.4 CSCCC(=O)NC(C)C WXVL_AK0030SB0361 [0,2,0,0,0,0|2,0,0]=4 449 B9R0.4 CSCCC(=O)NC(C)C WXVL_AK0030SB0361 [0,2,0,0,0,0|2,0,0]=4 450 B9R0.5 C#CCC(=O)NCCCC WXVL_AK00588SB3070 [0,2,0,0,0,0|1,0,1]=4 451 B9R0.5 C#CCC(=O)NCCCC WXVL_AK00588SB3070 [0,2,0,0,0,0|1,0,1]=4 452 B9R0.5 C#CCC(=O)NCCCO WXVL_AK0073SB3070 [0,2,0,0,0,0|1,0,1]=4 453 B9R0.5 C#CCC(=O)NCCCO WXVL_AK0073SB3070 [0,2,0,0,0,0|1,0,1]=4 454 B9R0.5 C#CCC(=O)NCCSC WXVL_AK00440SB3070 [0,2,0,0,0,0|1,0,1]=4 455 B9R0.5 C#CCC(=O)NCCSC WXVL_AK00440SB3070 [0,2,0,0,0,0|1,0,1]=4 456 B9R0.5 C#CCCCC(=O)NCC WXVL_AK00476SB2709 [0,2,0,0,0,0|1,0,1]=4 457 B9R0.5 C#CCCCC(=O)NCC WXVL_AK00476SB2709 [0,2,0,0,0,0|1,0,1]=4 458 B9R0.5 C#CCCNC(=O)CCC WXVL_AK3109SB0073 [0,2,0,0,0,0|1,0,1]=4 459 B9R0.5 C#CCCNC(=O)CCC WXVL_AK3109SB0073 [0,2,0,0,0,0|1,0,1]=4 460 B9R0.5 C#CCCNC(=O)COC WXVL_AK3109SB0090 [0,2,0,0,0,0|1,0,1]=4 461 B9R0.5 C#CCCNC(=O)COC WXVL_AK3109SB0090 [0,2,0,0,0,0|1,0,1]=4 462 B9R0.5 C#CCCNC(=O)CSC WXVL_AK3109SB1267 [0,2,0,0,0,0|1,0,1]=4 463 B9R0.5 C#CCCNC(=O)CSC WXVL_AK3109SB1267 [0,2,0,0,0,0|1,0,1]=4 464 B9R0.5 C/C=C/C(=O)NCCCC WXVL_AK00588SB0340 [0,2,0,0,0,0|1,0,1]=4 465 B9R0.5 C/C=C/C(=O)NCCCC WXVL_AK00588SB0340 [0,2,0,0,0,0|1,0,1]=4 466 B9R0.5 C/C=C/C(=O)NCCCO WXVL_AK0073SB0340 [0,2,0,0,0,0|1,0,1]=4 467 B9R0.5 C/C=C/C(=O)NCCCO WXVL_AK0073SB0340 [0,2,0,0,0,0|1,0,1]=4 468 B9R0.5 C/C=C/C(=O)NCCSC WXVL_AK00440SB0340 [0,2,0,0,0,0|1,0,1]=4 469 B9R0.5 C/C=C/C(=O)NCCSC WXVL_AK00440SB0340 [0,2,0,0,0,0|1,0,1]=4 470 B9R0.5 C=CCC(=O)NCCCC WXVL_AK00588SB2732 [0,2,0,0,0,0|1,0,1]=4 471 B9R0.5 C=CCC(=O)NCCCC WXVL_AK00588SB2732 [0,2,0,0,0,0|1,0,1]=4 472 B9R0.5 C=CCC(=O)NCCCO WXVL_AK0073SB2732 [0,2,0,0,0,0|1,0,1]=4 473 B9R0.5 C=CCC(=O)NCCCO WXVL_AK0073SB2732 [0,2,0,0,0,0|1,0,1]=4 474 B9R0.5 C=CCC(=O)NCCSC WXVL_AK00440SB2732 [0,2,0,0,0,0|1,0,1]=4 475 B9R0.5 C=CCC(=O)NCCSC WXVL_AK00440SB2732 [0,2,0,0,0,0|1,0,1]=4 476 B9R0.5 C=CCCCC(=O)NCC WXVL_AK00476SB2920 [0,2,0,0,0,0|1,0,1]=4 477 B9R0.5 C=CCCCC(=O)NCC WXVL_AK00476SB2920 [0,2,0,0,0,0|1,0,1]=4 478 B9R0.5 C=CCCNC(=O)CCC WXVL_AK00138SB0073 [0,2,0,0,0,0|1,0,1]=4 479 B9R0.5 C=CCCNC(=O)CCC WXVL_AK00138SB0073 [0,2,0,0,0,0|1,0,1]=4 480 B9R0.5 C=CCCNC(=O)COC WXVL_AK00138SB0090 [0,2,0,0,0,0|1,0,1]=4 481 B9R0.5 C=CCCNC(=O)COC WXVL_AK00138SB0090 [0,2,0,0,0,0|1,0,1]=4 482 B9R0.5 C=CCCNC(=O)CSC WXVL_AK00138SB1267 [0,2,0,0,0,0|1,0,1]=4 483 B9R0.5 C=CCCNC(=O)CSC WXVL_AK00138SB1267 [0,2,0,0,0,0|1,0,1]=4 484 B9R0.5 CC#CC(=O)NCCCC WXVL_AK00588SB1240 [0,2,0,0,0,0|1,0,1]=4 485 B9R0.5 CC#CC(=O)NCCCC WXVL_AK00588SB1240 [0,2,0,0,0,0|1,0,1]=4 486 B9R0.5 CC#CC(=O)NCCCO WXVL_AK0073SB1240 [0,2,0,0,0,0|1,0,1]=4 487 B9R0.5 CC#CC(=O)NCCCO WXVL_AK0073SB1240 [0,2,0,0,0,0|1,0,1]=4 488 B9R0.5 CC#CC(=O)NCCSC WXVL_AK00440SB1240 [0,2,0,0,0,0|1,0,1]=4 489 B9R0.5 CC#CC(=O)NCCSC WXVL_AK00440SB1240 [0,2,0,0,0,0|1,0,1]=4 490 B9R0.5 CC/C=C/CC(=O)NCC WXVL_AK00476SB0349 [0,2,0,0,0,0|1,0,1]=4 491 B9R0.5 CC/C=C/CC(=O)NCC WXVL_AK00476SB0349 [0,2,0,0,0,0|1,0,1]=4 492 B9R0.5 CCCC(=O)NCCC#N WXVL_AK0087SB0073 [0,2,0,0,0,0|1,0,1]=4 493 B9R0.5 CCCC(=O)NCCC#N WXVL_AK0087SB0073 [0,2,0,0,0,0|1,0,1]=4 494 B9R0.5 CCCC(=O)NCCCO WXVL_AK0073SB0073 [0,2,0,0,0,0|1,0,0]=3 495 B9R0.5 CCCC(=O)NCCCO WXVL_AK0073SB0073 [0,2,0,0,0,0|1,0,0]=3 496 B9R0.5 CCCC(=O)NCCSC WXVL_AK00440SB0073 [0,2,0,0,0,0|1,0,0]=3 497 B9R0.5 CCCC(=O)NCCSC WXVL_AK00440SB0073 [0,2,0,0,0,0|1,0,0]=3 498 B9R0.5 CCCCNC(=O)CC#N WXVL_AK00588SB0057 [0,2,0,0,0,0|1,0,1]=4 499 B9R0.5 CCCCNC(=O)CC#N WXVL_AK00588SB0057 [0,2,0,0,0,0|1,0,1]=4 500 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [0,2,0,0,0,0|1,0,0]=3 501 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [0,2,0,0,0,0|1,0,0]=3 502 B9R0.5 CCCCNC(=O)COC WXVL_AK00588SB0090 [0,2,0,0,0,0|1,0,0]=3 503 B9R0.5 CCCCNC(=O)COC WXVL_AK00588SB0090 [0,2,0,0,0,0|1,0,0]=3 504 B9R0.5 CCCCNC(=O)CSC WXVL_AK00588SB1267 [0,2,0,0,0,0|1,0,0]=3 505 B9R0.5 CCCCNC(=O)CSC WXVL_AK00588SB1267 [0,2,0,0,0,0|1,0,0]=3 506 B9R0.5 CCNC(=O)/C=C/OCC WXVL_AK00476SB3226 [0,2,0,0,0,0|1,0,1]=4 507 B9R0.5 CCNC(=O)/C=C/OCC WXVL_AK00476SB3226 [0,2,0,0,0,0|1,0,1]=4 508 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [0,2,0,0,0,0|1,0,0]=3 509 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [0,2,0,0,0,0|1,0,0]=3 510 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [0,2,0,0,0,0|1,0,0]=3 511 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [0,2,0,0,0,0|1,0,0]=3 512 B9R0.5 CCNC(=O)NCCCCl WXVL_AK00476YV0130 [0,2,0,0,0,0|1,0,0]=3 513 B9R0.5 CCNC(=O)NCCCCl WXVL_AK00476YV0130 [0,2,0,0,0,0|1,0,0]=3 514 B9R0.5 COCC(=O)NCCC#N WXVL_AK0087SB0090 [0,2,0,0,0,0|1,0,1]=4 515 B9R0.5 COCC(=O)NCCC#N WXVL_AK0087SB0090 [0,2,0,0,0,0|1,0,1]=4 516 B9R0.5 COCC(=O)NCCCO WXVL_AK0073SB0090 [0,2,0,0,0,0|1,0,0]=3 517 B9R0.5 COCC(=O)NCCCO WXVL_AK0073SB0090 [0,2,0,0,0,0|1,0,0]=3 518 B9R0.5 COCC(=O)NCCSC WXVL_AK00440SB0090 [0,2,0,0,0,0|1,0,0]=3 519 B9R0.5 COCC(=O)NCCSC WXVL_AK00440SB0090 [0,2,0,0,0,0|1,0,0]=3 520 B9R0.5 CSCC(=O)NCCC#N WXVL_AK0087SB1267 [0,2,0,0,0,0|1,0,1]=4 521 B9R0.5 CSCC(=O)NCCC#N WXVL_AK0087SB1267 [0,2,0,0,0,0|1,0,1]=4 522 B9R0.5 CSCC(=O)NCCCO WXVL_AK0073SB1267 [0,2,0,0,0,0|1,0,0]=3 523 B9R0.5 CSCC(=O)NCCCO WXVL_AK0073SB1267 [0,2,0,0,0,0|1,0,0]=3 524 B9R0.5 CSCCNC(=O)CC#N WXVL_AK00440SB0057 [0,2,0,0,0,0|1,0,1]=4 525 B9R0.5 CSCCNC(=O)CC#N WXVL_AK00440SB0057 [0,2,0,0,0,0|1,0,1]=4 526 B9R0.5 CSCCNC(=O)CSC WXVL_AK00440SB1267 [0,2,0,0,0,0|1,0,0]=3 527 B9R0.5 CSCCNC(=O)CSC WXVL_AK00440SB1267 [0,2,0,0,0,0|1,0,0]=3 528 B9R0.5 N#CCC(=O)NCCCO WXVL_AK0073SB0057 [0,2,0,0,0,0|1,0,1]=4 529 B9R0.5 N#CCC(=O)NCCCO WXVL_AK0073SB0057 [0,2,0,0,0,0|1,0,1]=4 530 B9R0.8 C/C=C(\C)/C(=O)NCCC WXVL_AK00504SB0343 [0,2,0,0,0,0|1,0,1]=4 531 B9R0.8 C/C=C(\C)/C(=O)NCCC WXVL_AK00504SB0343 [0,2,0,0,0,0|1,0,1]=4 532 B9R0.8 CCC(=O)C(=O)NCCF WXVL_AK00466SB0344 [0,2,0,0,0,0|2,0,0]=4 533 B9R0.8 CCC(=O)C(=O)NCCF WXVL_AK00466SB0344 [0,2,0,0,0,0|2,0,0]=4 534 B9R0.8 CCC(=O)N(C)CCOC WXVL_AN0085SB0064 [0,2,0,0,0,0|1,0,0]=3 535 B9R0.8 CCC(=O)N(C)CCOC WXVL_AN0085SB0064 [0,2,0,0,0,0|1,0,0]=3 536 B9R0.8 CCC(C)C(=O)NCCF WXVL_AK00466SB0054 [0,2,0,0,0,0|2,0,0]=4 537 B9R0.8 CCC(C)C(=O)NCCF WXVL_AK00466SB0054 [0,2,0,0,0,0|2,0,0]=4 538 B9R0.8 CCCCC(O)C(=O)NC WXVL_AK00442SB3429 [0,2,0,0,0,0|2,0,0]=4 539 B9R0.8 CCCCC(O)C(=O)NC WXVL_AK00442SB3429 [0,2,0,0,0,0|2,0,0]=4 540 B9R0.8 CCCNC(=O)C(=O)CC WXVL_AK00504SB0344 [0,2,0,0,0,0|1,0,0]=3 541 B9R0.8 CCCNC(=O)C(=O)CC WXVL_AK00504SB0344 [0,2,0,0,0,0|1,0,0]=3 542 B9R0.8 CCCNC(=O)C(C)CC WXVL_AK00504SB0054 [0,2,0,0,0,0|1,0,0]=3 543 B9R0.8 CCCNC(=O)C(C)CC WXVL_AK00504SB0054 [0,2,0,0,0,0|1,0,0]=3 544 B9R0.8 CCCNC(=O)[C@@H](C)OC WXVL_AK00504SB2926 [0,2,0,0,0,0|1,0,0]=3 545 B9R0.8 CCCNC(=O)[C@@H](C)OC WXVL_AK00504SB2926 [0,2,0,0,0,0|1,0,0]=3 546 B9R0.8 CCCNC(=O)[C@@H](O)CC WXVL_AK00504SB3573 [0,2,0,0,0,0|1,0,0]=3 547 B9R0.8 CCCNC(=O)[C@@H](O)CC WXVL_AK00504SB3573 [0,2,0,0,0,0|1,0,0]=3 548 B9R0.8 CCCNC(=O)[C@H](C)CC WXVL_AK00504SB00054 [0,2,0,0,0,0|1,0,0]=3 549 B9R0.8 CCCNC(=O)[C@H](C)CC WXVL_AK00504SB00054 [0,2,0,0,0,0|1,0,0]=3 550 B9R0.8 CC[C@@H](C)C(=O)NCCF WXVL_AK00466SB00054 [0,2,0,0,0,0|2,0,0]=4 551 B9R0.8 CC[C@@H](C)C(=O)NCCF WXVL_AK00466SB00054 [0,2,0,0,0,0|2,0,0]=4 552 B9R0.8 CC[C@H](O)C(=O)NCCF WXVL_AK00466SB3573 [0,2,0,0,0,0|2,0,0]=4 553 B9R0.8 CC[C@H](O)C(=O)NCCF WXVL_AK00466SB3573 [0,2,0,0,0,0|2,0,0]=4 554 B9R0.8 COCCN(C)C(=O)CO WXVL_AN0085SB2706 [0,2,0,0,0,0|2,0,0]=4 555 B9R0.8 COCCN(C)C(=O)CO WXVL_AN0085SB2706 [0,2,0,0,0,0|2,0,0]=4 556 B9R0.8 CO[C@H](C)C(=O)NCCF WXVL_AK00466SB2926 [0,2,0,0,0,0|2,0,0]=4 557 B9R0.8 CO[C@H](C)C(=O)NCCF WXVL_AK00466SB2926 [0,2,0,0,0,0|2,0,0]=4 558 B9R0.18 C#CCCC(=O)NCCC WXVL_AK00504SB2189 [0,2,0,0,0,0|1,0,0]=3 559 B9R0.18 C#CCCC(=O)NCCC WXVL_AK00504SB2189 [0,2,0,0,0,0|1,0,0]=3 560 B9R0.18 C#CCCC(=O)NCCF WXVL_AK00466SB2189 [0,2,0,0,0,0|2,0,0]=4 561 B9R0.18 C#CCCC(=O)NCCF WXVL_AK00466SB2189 [0,2,0,0,0,0|2,0,0]=4 562 B9R0.18 C=CCCC(=O)NCCC WXVL_AK00504SB1035 [0,2,0,0,0,0|1,0,0]=3 563 B9R0.18 C=CCCC(=O)NCCC WXVL_AK00504SB1035 [0,2,0,0,0,0|1,0,0]=3 564 B9R0.18 C=CCCC(=O)NCCF WXVL_AK00466SB1035 [0,2,0,0,0,0|2,0,0]=4 565 B9R0.18 C=CCCC(=O)NCCF WXVL_AK00466SB1035 [0,2,0,0,0,0|2,0,0]=4 566 B9R0.18 CCCNC(=O)/C=C/CBr WXVL_AK00504SB0424 [0,2,0,0,0,0|1,0,1]=4 567 B9R0.18 CCCNC(=O)/C=C/CBr WXVL_AK00504SB0424 [0,2,0,0,0,0|1,0,1]=4 568 B9R0.18 CCCNC(=O)CCOC WXVL_AK00504SB0156 [0,2,0,0,0,0|1,0,0]=3 569 B9R0.18 CCCNC(=O)CCOC WXVL_AK00504SB0156 [0,2,0,0,0,0|1,0,0]=3 570 B9R0.18 CCCNC(=O)CCSC WXVL_AK00504SB0361 [0,2,0,0,0,0|1,0,0]=3 571 B9R0.18 CCCNC(=O)CCSC WXVL_AK00504SB0361 [0,2,0,0,0,0|1,0,0]=3 572 B9R0.18 CCCNC(=O)COCC WXVL_AK00504SB0091 [0,2,0,0,0,0|1,0,0]=3 573 B9R0.18 CCCNC(=O)COCC WXVL_AK00504SB0091 [0,2,0,0,0,0|1,0,0]=3 574 B9R0.18 CCCNC(=O)CSCC WXVL_AK00504SB0002 [0,2,0,0,0,0|1,0,0]=3 575 B9R0.18 CCCNC(=O)CSCC WXVL_AK00504SB0002 [0,2,0,0,0,0|1,0,0]=3 576 B9R0.18 CCCNC(=O)NCCCl WXVL_AK00504YV0092 [0,2,0,0,0,0|1,0,0]=3 577 B9R0.18 CCCNC(=O)NCCCl WXVL_AK00504YV0092 [0,2,0,0,0,0|1,0,0]=3 578 B9R0.18 CCOCC(=O)NCCF WXVL_AK00466SB0091 [0,2,0,0,0,0|2,0,0]=4 579 B9R0.18 CCOCC(=O)NCCF WXVL_AK00466SB0091 [0,2,0,0,0,0|2,0,0]=4 580 B9R0.18 CCSCC(=O)NCCF WXVL_AK00466SB0002 [0,2,0,0,0,0|2,0,0]=4 581 B9R0.18 CCSCC(=O)NCCF WXVL_AK00466SB0002 [0,2,0,0,0,0|2,0,0]=4 582 B9R0.18 COCCC(=O)NCCF WXVL_AK00466SB0156 [0,2,0,0,0,0|2,0,0]=4 583 B9R0.18 COCCC(=O)NCCF WXVL_AK00466SB0156 [0,2,0,0,0,0|2,0,0]=4 584 B9R0.18 CSCCC(=O)NCCF WXVL_AK00466SB0361 [0,2,0,0,0,0|2,0,0]=4 585 B9R0.18 CSCCC(=O)NCCF WXVL_AK00466SB0361 [0,2,0,0,0,0|2,0,0]=4 586 B9R0.18 O=C(NCCF)NCCCl WXVL_AK00466YV0092 [0,2,0,0,0,0|2,0,0]=4 587 B9R0.18 O=C(NCCF)NCCCl WXVL_AK00466YV0092 [0,2,0,0,0,0|2,0,0]=4 588 B9R0.34 C#CCC(=O)N[C@@H](C)CC WXVL_AK00678SB3070 [0,2,0,0,0,0|1,0,1]=4 589 B9R0.34 C#CCC(=O)N[C@@H](C)CC WXVL_AK00678SB3070 [0,2,0,0,0,0|1,0,1]=4 590 B9R0.34 C/C=C/C(=O)N[C@@H](C)CC WXVL_AK00678SB0340 [0,2,0,0,0,0|1,0,1]=4 591 B9R0.34 C/C=C/C(=O)N[C@@H](C)CC WXVL_AK00678SB0340 [0,2,0,0,0,0|1,0,1]=4 592 B9R0.34 C=CCC(=O)N[C@@H](C)CC WXVL_AK00678SB2732 [0,2,0,0,0,0|1,0,1]=4 593 B9R0.34 C=CCC(=O)N[C@@H](C)CC WXVL_AK00678SB2732 [0,2,0,0,0,0|1,0,1]=4 594 B9R0.34 CC#CC(=O)N[C@@H](C)CC WXVL_AK00678SB1240 [0,2,0,0,0,0|1,0,1]=4 595 B9R0.34 CC#CC(=O)N[C@@H](C)CC WXVL_AK00678SB1240 [0,2,0,0,0,0|1,0,1]=4 596 B9R0.34 CC(CCO)NC(=O)CO WXVL_AK1288SB2706 [0,2,0,0,0,0|2,0,0]=4 597 B9R0.34 CC(CCO)NC(=O)CO WXVL_AK1288SB2706 [0,2,0,0,0,0|2,0,0]=4 598 B9R0.34 CCC(=O)NC(C)CCO WXVL_AK1288SB0064 [0,2,0,0,0,0|1,0,0]=3 599 B9R0.34 CCC(=O)NC(C)CCO WXVL_AK1288SB0064 [0,2,0,0,0,0|1,0,0]=3 600 B9R0.34 CCC(=O)N[C@@H](C)CC#N WXVL_AK00595SB0064 [0,2,0,0,0,0|1,0,1]=4 601 B9R0.34 CCC(=O)N[C@@H](C)CC#N WXVL_AK00595SB0064 [0,2,0,0,0,0|1,0,1]=4 602 B9R0.34 CCC(=O)N[C@@H](C)COC WXVL_AK0137SB0064 [0,2,0,0,0,0|1,0,0]=3 603 B9R0.34 CCC(=O)N[C@@H](C)COC WXVL_AK0137SB0064 [0,2,0,0,0,0|1,0,0]=3 604 B9R0.34 CCC(=O)N[C@H](C)COC WXVL_AK00613SB0064 [0,2,0,0,0,0|1,0,0]=3 605 B9R0.34 CCC(=O)N[C@H](C)COC WXVL_AK00613SB0064 [0,2,0,0,0,0|1,0,0]=3 606 B9R0.34 CCCC(=O)N[C@@H](C)CC WXVL_AK00678SB0073 [0,2,0,0,0,0|1,0,0]=3 607 B9R0.34 CCCC(=O)N[C@@H](C)CC WXVL_AK00678SB0073 [0,2,0,0,0,0|1,0,0]=3 608 B9R0.34 CCCC(=O)N[C@@H](C)CF WXVL_AK00558SB0073 [0,2,0,0,0,0|2,0,0]=4 609 B9R0.34 CCCC(=O)N[C@@H](C)CF WXVL_AK00558SB0073 [0,2,0,0,0,0|2,0,0]=4 610 B9R0.34 CCCC(=O)N[C@@H](C)CO WXVL_AK0109SB0073 [0,2,0,0,0,0|2,0,0]=4 611 B9R0.34 CCCC(=O)N[C@@H](C)CO WXVL_AK0109SB0073 [0,2,0,0,0,0|2,0,0]=4 612 B9R0.34 CCC[C@H](C)NC(=O)CC WXVL_AK00682SB0064 [0,2,0,0,0,0|1,0,0]=3 613 B9R0.34 CCC[C@H](C)NC(=O)CC WXVL_AK00682SB0064 [0,2,0,0,0,0|1,0,0]=3 614 B9R0.34 CCC[C@H](C)NC(=O)CO WXVL_AK00682SB2706 [0,2,0,0,0,0|2,0,0]=4 615 B9R0.34 CCC[C@H](C)NC(=O)CO WXVL_AK00682SB2706 [0,2,0,0,0,0|2,0,0]=4 616 B9R0.34 CCNC(=O)CC(C)CC WXVL_AK00476SB0353 [0,2,0,0,0,0|1,0,0]=3 617 B9R0.34 CCNC(=O)CC(C)CC WXVL_AK00476SB0353 [0,2,0,0,0,0|1,0,0]=3 618 B9R0.34 CCNC(=O)CC(O)CC WXVL_AK00476SB4092 [0,2,0,0,0,0|1,0,0]=3 619 B9R0.34 CCNC(=O)CC(O)CC WXVL_AK00476SB4092 [0,2,0,0,0,0|1,0,0]=3 620 B9R0.34 CCNC(=O)C[C@H](C)CC WXVL_AK00476SB8650 [0,2,0,0,0,0|1,0,0]=3 621 B9R0.34 CCNC(=O)C[C@H](C)CC WXVL_AK00476SB8650 [0,2,0,0,0,0|1,0,0]=3 622 B9R0.34 CC[C@H](C)NC(=O)CC#N WXVL_AK00678SB0057 [0,2,0,0,0,0|1,0,1]=4 623 B9R0.34 CC[C@H](C)NC(=O)CC#N WXVL_AK00678SB0057 [0,2,0,0,0,0|1,0,1]=4 624 B9R0.34 CC[C@H](C)NC(=O)COC WXVL_AK00678SB0090 [0,2,0,0,0,0|1,0,0]=3 625 B9R0.34 CC[C@H](C)NC(=O)COC WXVL_AK00678SB0090 [0,2,0,0,0,0|1,0,0]=3 626 B9R0.34 CC[C@H](C)NC(=O)CSC WXVL_AK00678SB1267 [0,2,0,0,0,0|1,0,0]=3 627 B9R0.34 CC[C@H](C)NC(=O)CSC WXVL_AK00678SB1267 [0,2,0,0,0,0|1,0,0]=3 628 B9R0.34 COCC(=O)N[C@@H](C)CF WXVL_AK00558SB0090 [0,2,0,0,0,0|2,0,0]=4 629 B9R0.34 COCC(=O)N[C@@H](C)CF WXVL_AK00558SB0090 [0,2,0,0,0,0|2,0,0]=4 630 B9R0.34 COCC(=O)N[C@@H](C)CO WXVL_AK0109SB0090 [0,2,0,0,0,0|2,0,0]=4 631 B9R0.34 COCC(=O)N[C@@H](C)CO WXVL_AK0109SB0090 [0,2,0,0,0,0|2,0,0]=4 632 B9R0.34 COC[C@@H](C)NC(=O)CO WXVL_AK00613SB2706 [0,2,0,0,0,0|2,0,0]=4 633 B9R0.34 COC[C@@H](C)NC(=O)CO WXVL_AK00613SB2706 [0,2,0,0,0,0|2,0,0]=4 634 B9R0.34 COC[C@H](C)NC(=O)CO WXVL_AK0137SB2706 [0,2,0,0,0,0|2,0,0]=4 635 B9R0.34 COC[C@H](C)NC(=O)CO WXVL_AK0137SB2706 [0,2,0,0,0,0|2,0,0]=4 636 B9R0.34 CSCC(=O)N[C@@H](C)CF WXVL_AK00558SB1267 [0,2,0,0,0,0|2,0,0]=4 637 B9R0.34 CSCC(=O)N[C@@H](C)CF WXVL_AK00558SB1267 [0,2,0,0,0,0|2,0,0]=4 638 B9R0.34 CSCC(=O)N[C@@H](C)CO WXVL_AK0109SB1267 [0,2,0,0,0,0|2,0,0]=4 639 B9R0.34 CSCC(=O)N[C@@H](C)CO WXVL_AK0109SB1267 [0,2,0,0,0,0|2,0,0]=4 640 B9R0.35 CC/C=C(\C)/C(=O)NCC WXVL_AK00476SB0037 [0,2,0,0,0,0|1,0,1]=4 641 B9R0.35 CC/C=C(\C)/C(=O)NCC WXVL_AK00476SB0037 [0,2,0,0,0,0|1,0,1]=4 642 B9R0.35 CCCC(=O)N(C)CCO WXVL_AN2670SB0073 [0,2,0,0,0,0|2,0,0]=4 643 B9R0.35 CCCC(=O)N(C)CCO WXVL_AN2670SB0073 [0,2,0,0,0,0|2,0,0]=4 644 B9R0.35 CCCC(C)C(=O)NCC WXVL_AK00476SB0352 [0,2,0,0,0,0|1,0,0]=3 645 B9R0.35 CCCC(C)C(=O)NCC WXVL_AK00476SB0352 [0,2,0,0,0,0|1,0,0]=3 646 B9R0.35 CCC[C@H](O)C(=O)NCC WXVL_AK00476SB3627 [0,2,0,0,0,0|1,0,0]=3 647 B9R0.35 CCC[C@H](O)C(=O)NCC WXVL_AK00476SB3627 [0,2,0,0,0,0|1,0,0]=3 648 B9R0.35 CCNC(=O)C(=O)OCC WXVL_AK00476SB4144 [0,2,0,0,0,0|2,0,0]=4 649 B9R0.35 CCNC(=O)C(=O)OCC WXVL_AK00476SB4144 [0,2,0,0,0,0|2,0,0]=4 650 B9R0.35 COCC(=O)N(C)CCO WXVL_AN2670SB0090 [0,2,0,0,0,0|2,0,0]=4 651 B9R0.35 COCC(=O)N(C)CCO WXVL_AN2670SB0090 [0,2,0,0,0,0|2,0,0]=4 652 B9R0.35 CSCC(=O)N(C)CCO WXVL_AN2670SB1267 [0,2,0,0,0,0|2,0,0]=4 653 B9R0.35 CSCC(=O)N(C)CCO WXVL_AN2670SB1267 [0,2,0,0,0,0|2,0,0]=4 654 B9R0.48 C#CCC(=O)NCC(C)C WXVL_AK00544SB3070 [0,2,0,0,0,0|1,0,1]=4 655 B9R0.48 C#CCC(=O)NCC(C)C WXVL_AK00544SB3070 [0,2,0,0,0,0|1,0,1]=4 656 B9R0.48 C#CCC(=O)NCC(C)O WXVL_AK0052SB3070 [0,2,0,0,0,0|1,0,1]=4 657 B9R0.48 C#CCC(=O)NCC(C)O WXVL_AK0052SB3070 [0,2,0,0,0,0|1,0,1]=4 658 B9R0.48 C#CCC(=O)NC[C@H](C)O WXVL_AK0113SB3070 [0,2,0,0,0,0|1,0,1]=4 659 B9R0.48 C#CCC(=O)NC[C@H](C)O WXVL_AK0113SB3070 [0,2,0,0,0,0|1,0,1]=4 660 B9R0.48 C/C=C/C(=O)NCC(C)C WXVL_AK00544SB0340 [0,2,0,0,0,0|1,0,1]=4 661 B9R0.48 C/C=C/C(=O)NCC(C)C WXVL_AK00544SB0340 [0,2,0,0,0,0|1,0,1]=4 662 B9R0.48 C/C=C/C(=O)NCC(C)O WXVL_AK0052SB0340 [0,2,0,0,0,0|1,0,1]=4 663 B9R0.48 C/C=C/C(=O)NCC(C)O WXVL_AK0052SB0340 [0,2,0,0,0,0|1,0,1]=4 664 B9R0.48 C/C=C/C(=O)NC[C@H](C)O WXVL_AK0113SB0340 [0,2,0,0,0,0|1,0,1]=4 665 B9R0.48 C/C=C/C(=O)NC[C@H](C)O WXVL_AK0113SB0340 [0,2,0,0,0,0|1,0,1]=4 666 B9R0.48 C=C(C)CNC(=O)CCC WXVL_AK0761SB0073 [0,2,0,0,0,0|1,0,1]=4 667 B9R0.48 C=C(C)CNC(=O)CCC WXVL_AK0761SB0073 [0,2,0,0,0,0|1,0,1]=4 668 B9R0.48 C=C(C)CNC(=O)COC WXVL_AK0761SB0090 [0,2,0,0,0,0|1,0,1]=4 669 B9R0.48 C=C(C)CNC(=O)COC WXVL_AK0761SB0090 [0,2,0,0,0,0|1,0,1]=4 670 B9R0.48 C=C(C)CNC(=O)CSC WXVL_AK0761SB1267 [0,2,0,0,0,0|1,0,1]=4 671 B9R0.48 C=C(C)CNC(=O)CSC WXVL_AK0761SB1267 [0,2,0,0,0,0|1,0,1]=4 672 B9R0.48 C=CCC(=O)NCC(C)C WXVL_AK00544SB2732 [0,2,0,0,0,0|1,0,1]=4 673 B9R0.48 C=CCC(=O)NCC(C)C WXVL_AK00544SB2732 [0,2,0,0,0,0|1,0,1]=4 674 B9R0.48 C=CCC(=O)NCC(C)O WXVL_AK0052SB2732 [0,2,0,0,0,0|1,0,1]=4 675 B9R0.48 C=CCC(=O)NCC(C)O WXVL_AK0052SB2732 [0,2,0,0,0,0|1,0,1]=4 676 B9R0.48 C=CCC(=O)NC[C@H](C)O WXVL_AK0113SB2732 [0,2,0,0,0,0|1,0,1]=4 677 B9R0.48 C=CCC(=O)NC[C@H](C)O WXVL_AK0113SB2732 [0,2,0,0,0,0|1,0,1]=4 678 B9R0.48 CC#CC(=O)NCC(C)C WXVL_AK00544SB1240 [0,2,0,0,0,0|1,0,1]=4 679 B9R0.48 CC#CC(=O)NCC(C)C WXVL_AK00544SB1240 [0,2,0,0,0,0|1,0,1]=4 680 B9R0.48 CC#CC(=O)NCC(C)O WXVL_AK0052SB1240 [0,2,0,0,0,0|1,0,1]=4 681 B9R0.48 CC#CC(=O)NCC(C)O WXVL_AK0052SB1240 [0,2,0,0,0,0|1,0,1]=4 682 B9R0.48 CC#CC(=O)NC[C@H](C)O WXVL_AK0113SB1240 [0,2,0,0,0,0|1,0,1]=4 683 B9R0.48 CC#CC(=O)NC[C@H](C)O WXVL_AK0113SB1240 [0,2,0,0,0,0|1,0,1]=4 684 B9R0.48 CC(C)CNC(=O)CC#N WXVL_AK00544SB0057 [0,2,0,0,0,0|1,0,1]=4 685 B9R0.48 CC(C)CNC(=O)CC#N WXVL_AK00544SB0057 [0,2,0,0,0,0|1,0,1]=4 686 B9R0.48 CC(O)CNC(=O)CC#N WXVL_AK0052SB0057 [0,2,0,0,0,0|1,0,1]=4 687 B9R0.48 CC(O)CNC(=O)CC#N WXVL_AK0052SB0057 [0,2,0,0,0,0|1,0,1]=4 688 B9R0.48 CCCC(=O)NCC(C)C WXVL_AK00544SB0073 [0,2,0,0,0,0|1,0,0]=3 689 B9R0.48 CCCC(=O)NCC(C)C WXVL_AK00544SB0073 [0,2,0,0,0,0|1,0,0]=3 690 B9R0.48 CCCC(=O)NCC(C)O WXVL_AK0052SB0073 [0,2,0,0,0,0|1,0,0]=3 691 B9R0.48 CCCC(=O)NCC(C)O WXVL_AK0052SB0073 [0,2,0,0,0,0|1,0,0]=3 692 B9R0.48 CCCC(=O)NCC(F)F WXVL_AK0136SB0073 [0,2,0,0,0,0|2,0,0]=4 693 B9R0.48 CCCC(=O)NCC(F)F WXVL_AK0136SB0073 [0,2,0,0,0,0|2,0,0]=4 694 B9R0.48 CCCC(=O)NC[C@H](C)O WXVL_AK0113SB0073 [0,2,0,0,0,0|1,0,0]=3 695 B9R0.48 CCCC(=O)NC[C@H](C)O WXVL_AK0113SB0073 [0,2,0,0,0,0|1,0,0]=3 696 B9R0.48 CCNC(=O)/C=C/C(C)C WXVL_AK00476SB0036 [0,2,0,0,0,0|1,0,1]=4 697 B9R0.48 CCNC(=O)/C=C/C(C)C WXVL_AK00476SB0036 [0,2,0,0,0,0|1,0,1]=4 698 B9R0.48 CCNC(=O)CCC(=O)C WXVL_AK00476SB0072 [0,2,0,0,0,0|1,0,1]=4 699 B9R0.48 CCNC(=O)CCC(=O)C WXVL_AK00476SB0072 [0,2,0,0,0,0|1,0,1]=4 700 B9R0.48 CCNC(=O)CCC(C)C WXVL_AK00476SB0354 [0,2,0,0,0,0|1,0,0]=3 701 B9R0.48 CCNC(=O)CCC(C)C WXVL_AK00476SB0354 [0,2,0,0,0,0|1,0,0]=3 702 B9R0.48 CCNC(=O)CCN(C)C WXVL_AK00476SB00052 [0,2,0,0,0,0|2,0,0]=4 703 B9R0.48 CCNC(=O)CCN(C)C WXVL_AK00476SB00052 [0,2,0,0,0,0|2,0,0]=4 704 B9R0.48 CCNC(=O)COC(C)C WXVL_AK00476SB0213 [0,2,0,0,0,0|2,0,0]=4 705 B9R0.48 CCNC(=O)COC(C)C WXVL_AK00476SB0213 [0,2,0,0,0,0|2,0,0]=4 706 B9R0.48 COCC(=O)NCC(C)C WXVL_AK00544SB0090 [0,2,0,0,0,0|1,0,0]=3 707 B9R0.48 COCC(=O)NCC(C)C WXVL_AK00544SB0090 [0,2,0,0,0,0|1,0,0]=3 708 B9R0.48 COCC(=O)NCC(C)O WXVL_AK0052SB0090 [0,2,0,0,0,0|1,0,0]=3 709 B9R0.48 COCC(=O)NCC(C)O WXVL_AK0052SB0090 [0,2,0,0,0,0|1,0,0]=3 710 B9R0.48 COCC(=O)NCC(F)F WXVL_AK0136SB0090 [0,2,0,0,0,0|2,0,0]=4 711 B9R0.48 COCC(=O)NCC(F)F WXVL_AK0136SB0090 [0,2,0,0,0,0|2,0,0]=4 712 B9R0.48 COCC(=O)NC[C@H](C)O WXVL_AK0113SB0090 [0,2,0,0,0,0|1,0,0]=3 713 B9R0.48 COCC(=O)NC[C@H](C)O WXVL_AK0113SB0090 [0,2,0,0,0,0|1,0,0]=3 714 B9R0.48 CSCC(=O)NCC(C)C WXVL_AK00544SB1267 [0,2,0,0,0,0|1,0,0]=3 715 B9R0.48 CSCC(=O)NCC(C)C WXVL_AK00544SB1267 [0,2,0,0,0,0|1,0,0]=3 716 B9R0.48 CSCC(=O)NCC(C)O WXVL_AK0052SB1267 [0,2,0,0,0,0|1,0,0]=3 717 B9R0.48 CSCC(=O)NCC(C)O WXVL_AK0052SB1267 [0,2,0,0,0,0|1,0,0]=3 718 B9R0.48 CSCC(=O)NCC(F)F WXVL_AK0136SB1267 [0,2,0,0,0,0|2,0,0]=4 719 B9R0.48 CSCC(=O)NCC(F)F WXVL_AK0136SB1267 [0,2,0,0,0,0|2,0,0]=4 720 B9R0.48 CSCC(=O)NC[C@H](C)O WXVL_AK0113SB1267 [0,2,0,0,0,0|1,0,0]=3 721 B9R0.48 CSCC(=O)NC[C@H](C)O WXVL_AK0113SB1267 [0,2,0,0,0,0|1,0,0]=3 722 B9R0.48 C[C@H](O)CNC(=O)CC#N WXVL_AK0113SB0057 [0,2,0,0,0,0|1,0,1]=4 723 B9R0.48 C[C@H](O)CNC(=O)CC#N WXVL_AK0113SB0057 [0,2,0,0,0,0|1,0,1]=4 724 B9R0.66 CCCCS(=O)(=O)NCC WXVL_AK00476HU0031 [0,2,0,0,0,0|2,0,0]=4 725 B9R0.66 CCCCS(=O)(=O)NCC WXVL_AK00476HU0031 [0,2,0,0,0,0|2,0,0]=4 726 B9R0.66 CCCNS(=O)(=O)CCBr WXVL_AK00504HU0461 [0,2,0,0,0,0|2,0,0]=4 727 B9R0.66 CCCNS(=O)(=O)CCBr WXVL_AK00504HU0461 [0,2,0,0,0,0|2,0,0]=4 728 B9R0.66 CCCNS(=O)(=O)CCC WXVL_AK00504HU0030 [0,2,0,0,0,0|2,0,0]=4 729 B9R0.66 CCCNS(=O)(=O)CCC WXVL_AK00504HU0030 [0,2,0,0,0,0|2,0,0]=4 730 B9R0.66 CCCNS(=O)(=O)CCCl WXVL_AK00504HU0029 [0,2,0,0,0,0|2,0,0]=4 731 B9R0.66 CCCNS(=O)(=O)CCCl WXVL_AK00504HU0029 [0,2,0,0,0,0|2,0,0]=4 732 B9R0.6 CC(C)C(=O)N(C)CCO WXVL_AN2670SB0052 [0,2,0,0,0,0|2,0,0]=4 733 B9R0.6 CC(C)C(=O)N(C)CCO WXVL_AN2670SB0052 [0,2,0,0,0,0|2,0,0]=4 734 B9R0.6 CC(S)C(=O)N(C)CCO WXVL_AN2670SB2708 [0,2,0,0,0,0|2,0,0]=4 735 B9R0.6 CC(S)C(=O)N(C)CCO WXVL_AN2670SB2708 [0,2,0,0,0,0|2,0,0]=4 736 B9R0.6 CCCC(C)C(=O)N(C)C WXVL_AN0032SB0352 [0,2,0,0,0,0|2,0,0]=4 737 B9R0.6 CCCC(C)C(=O)N(C)C WXVL_AN0032SB0352 [0,2,0,0,0,0|2,0,0]=4 738 B9R0.6 CCC[C@H](O)C(=O)N(C)C WXVL_AN0032SB3627 [0,2,0,0,0,0|2,0,0]=4 739 B9R0.6 CCC[C@H](O)C(=O)N(C)C WXVL_AN0032SB3627 [0,2,0,0,0,0|2,0,0]=4 740 B9R0.6 CCNC(=O)C(=O)C(C)C WXVL_AK00476SB2578 [0,2,0,0,0,0|2,0,0]=4 741 B9R0.6 CCNC(=O)C(=O)C(C)C WXVL_AK00476SB2578 [0,2,0,0,0,0|2,0,0]=4 742 B9R0.6 C[C@@H](O)C(=O)N(C)CCO WXVL_AN2670SB1085 [0,2,0,0,0,0|2,0,0]=4 743 B9R0.6 C[C@@H](O)C(=O)N(C)CCO WXVL_AN2670SB1085 [0,2,0,0,0,0|2,0,0]=4 744 B9R0.12 CCC(=O)N(CC)CCO WXVL_AN3174SB0064 [0,2,0,0,0,0|2,0,0]=4 745 B9R0.23 CCC(=O)C(=O)NC(C)C WXVL_AK0030SB0344 [0,2,0,0,0,0|2,0,0]=4 746 B9R0.23 CCC(=O)C(=O)NC(C)C WXVL_AK0030SB0344 [0,2,0,0,0,0|2,0,0]=4 747 B9R0.23 CNC(=O)C(O)CC(C)C WXVL_AK00442SB4281 [0,2,0,0,0,0|2,0,0]=4 748 B9R0.23 CNC(=O)C(O)CC(C)C WXVL_AK00442SB4281 [0,2,0,0,0,0|2,0,0]=4 749 B9R0.60 CCCC(C)(C)C(=O)NC WXVL_AK00442SB0372 [0,2,0,0,0,0|2,0,0]=4 750 B9R0.60 CCCC(C)(C)C(=O)NC WXVL_AK00442SB0372 [0,2,0,0,0,0|2,0,0]=4 751 B9R0.1 CC(C)CCNC(=O)CO WXVL_AK0068SB2706 [0,2,0,0,0,0|2,0,0]=4 752 B9R0.1 CC(C)CCNC(=O)CO WXVL_AK0068SB2706 [0,2,0,0,0,0|2,0,0]=4 753 B9R0.1 CCC(=O)NCCC(=O)N WXVL_AK00443SB0064 [0,2,0,0,0,0|1,0,1]=4 754 B9R0.1 CCC(=O)NCCC(=O)N WXVL_AK00443SB0064 [0,2,0,0,0,0|1,0,1]=4 755 B9R0.1 CCC(=O)NCCC(C)C WXVL_AK0068SB0064 [0,2,0,0,0,0|1,0,0]=3 756 B9R0.1 CCC(=O)NCCC(C)C WXVL_AK0068SB0064 [0,2,0,0,0,0|1,0,0]=3 757 B9R0.1 CCC(=O)NCCN(C)C WXVL_AK0058SB0064 [0,2,0,0,0,0|1,0,0]=3 758 B9R0.1 CCC(=O)NCCN(C)C WXVL_AK0058SB0064 [0,2,0,0,0,0|1,0,0]=3 759 B9R0.1 CN(C)CCNC(=O)CO WXVL_AK0058SB2706 [0,2,0,0,0,0|2,0,0]=4 760 B9R0.1 CN(C)CCNC(=O)CO WXVL_AK0058SB2706 [0,2,0,0,0,0|2,0,0]=4 761 B9R0.1 CNC(=O)CCCC(C)C WXVL_AK00442SB1301 [0,2,0,0,0,0|2,0,0]=4 762 B9R0.1 CNC(=O)CCCC(C)C WXVL_AK00442SB1301 [0,2,0,0,0,0|2,0,0]=4 763 B9R0.1 CNC(=O)CCCN(C)C WXVL_AK00442SB00055 [0,2,0,0,0,0|2,0,0]=4 764 B9R0.1 CNC(=O)CCCN(C)C WXVL_AK00442SB00055 [0,2,0,0,0,0|2,0,0]=4 765 B9R0.20 CCCCNS(=O)(=O)CC WXVL_AK00588HU0028 [0,2,0,0,0,0|2,0,0]=4 766 B9R0.20 CCCCNS(=O)(=O)CC WXVL_AK00588HU0028 [0,2,0,0,0,0|2,0,0]=4 767 B9R0.20 CCS(=O)(=O)NCCCO WXVL_AK0073HU0028 [0,2,0,0,0,0|2,0,0]=4 768 B9R0.20 CCS(=O)(=O)NCCCO WXVL_AK0073HU0028 [0,2,0,0,0,0|2,0,0]=4 769 B9R0.20 CCS(=O)(=O)NCCSC WXVL_AK00440HU0028 [0,2,0,0,0,0|2,0,0]=4 770 B9R0.20 CCS(=O)(=O)NCCSC WXVL_AK00440HU0028 [0,2,0,0,0,0|2,0,0]=4 771 B9R0.24 CCC(=O)NCC(=O)NC WXVL_AK1222SB0064 [0,2,0,0,0,0|1,0,1]=4 772 B9R0.24 CCC(=O)NCC(=O)NC WXVL_AK1222SB0064 [0,2,0,0,0,0|1,0,1]=4 773 B9R0.24 CCC(=O)NC[C@@H](C)OC WXVL_AK00704SB0064 [0,2,0,0,0,0|1,0,0]=3 774 B9R0.24 CCC(=O)NC[C@@H](C)OC WXVL_AK00704SB0064 [0,2,0,0,0,0|1,0,0]=3 775 B9R0.24 CCC(=O)NC[C@@H](F)CO WXVL_AK00590SB0064 [0,2,0,0,0,0|1,0,0]=3 776 B9R0.24 CCC(=O)NC[C@@H](F)CO WXVL_AK00590SB0064 [0,2,0,0,0,0|1,0,0]=3 777 B9R0.24 CCC(=O)NC[C@H](O)CO WXVL_AK00483SB0064 [0,2,0,0,0,0|1,0,0]=3 778 B9R0.24 CCC(=O)NC[C@H](O)CO WXVL_AK00483SB0064 [0,2,0,0,0,0|1,0,0]=3 779 B9R0.24 CO[C@H](C)CNC(=O)CO WXVL_AK00704SB2706 [0,2,0,0,0,0|2,0,0]=4 780 B9R0.24 CO[C@H](C)CNC(=O)CO WXVL_AK00704SB2706 [0,2,0,0,0,0|2,0,0]=4 781 B9R0.24 O=C(CO)NC[C@@H](F)CO WXVL_AK00590SB2706 [0,2,0,0,0,0|2,0,0]=4 782 B9R0.24 O=C(CO)NC[C@@H](F)CO WXVL_AK00590SB2706 [0,2,0,0,0,0|2,0,0]=4 783 B9R0.24 O=C(CO)NC[C@H](O)CO WXVL_AK00483SB2706 [0,2,0,0,0,0|2,0,0]=4 784 B9R0.24 O=C(CO)NC[C@H](O)CO WXVL_AK00483SB2706 [0,2,0,0,0,0|2,0,0]=4 785 B9R0.46 C#CCCCNC(=O)CC WXVL_AK00218SB0064 [0,2,0,0,0,0|1,0,0]=3 786 B9R0.46 C#CCCCNC(=O)CC WXVL_AK00218SB0064 [0,2,0,0,0,0|1,0,0]=3 787 B9R0.46 C#CCCCNC(=O)CO WXVL_AK00218SB2706 [0,2,0,0,0,0|2,0,0]=4 788 B9R0.46 C#CCCCNC(=O)CO WXVL_AK00218SB2706 [0,2,0,0,0,0|2,0,0]=4 789 B9R0.46 CCC(=O)NCCCCO WXVL_AK0075SB0064 [0,2,0,0,0,0|1,0,0]=3 790 B9R0.46 CCC(=O)NCCCCO WXVL_AK0075SB0064 [0,2,0,0,0,0|1,0,0]=3 791 B9R0.46 CCC(=O)NCCCOC WXVL_AK00637SB0064 [0,2,0,0,0,0|1,0,0]=3 792 B9R0.46 CCC(=O)NCCCOC WXVL_AK00637SB0064 [0,2,0,0,0,0|1,0,0]=3 793 B9R0.46 CCC(=O)NCCCSC WXVL_AK0965SB0064 [0,2,0,0,0,0|1,0,0]=3 794 B9R0.46 CCC(=O)NCCCSC WXVL_AK0965SB0064 [0,2,0,0,0,0|1,0,0]=3 795 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [0,2,0,0,0,0|1,0,0]=3 796 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [0,2,0,0,0,0|1,0,0]=3 797 B9R0.46 CCCCCNC(=O)CO WXVL_AK0076SB2706 [0,2,0,0,0,0|2,0,0]=4 798 B9R0.46 CCCCCNC(=O)CO WXVL_AK0076SB2706 [0,2,0,0,0,0|2,0,0]=4 799 B9R0.46 CCSCCNC(=O)CC WXVL_AK00494SB0064 [0,2,0,0,0,0|1,0,0]=3 800 B9R0.46 CCSCCNC(=O)CC WXVL_AK00494SB0064 [0,2,0,0,0,0|1,0,0]=3 801 B9R0.46 CCSCCNC(=O)CO WXVL_AK00494SB2706 [0,2,0,0,0,0|2,0,0]=4 802 B9R0.46 CCSCCNC(=O)CO WXVL_AK00494SB2706 [0,2,0,0,0,0|2,0,0]=4 803 B9R0.46 CNC(=O)CCCCCBr WXVL_AK00442SB2192 [0,2,0,0,0,0|2,0,0]=4 804 B9R0.46 CNC(=O)CCCCCBr WXVL_AK00442SB2192 [0,2,0,0,0,0|2,0,0]=4 805 B9R0.46 CNC(=O)CCCCCO WXVL_AK00442SB2973 [0,2,0,0,0,0|2,0,0]=4 806 B9R0.46 CNC(=O)CCCCCO WXVL_AK00442SB2973 [0,2,0,0,0,0|2,0,0]=4 807 B9R0.46 CNC(=O)COCCOC WXVL_AK00442SB0159 [0,2,0,0,0,0|1,0,0]=3 808 B9R0.46 CNC(=O)COCCOC WXVL_AK00442SB0159 [0,2,0,0,0,0|1,0,0]=3 809 B9R0.46 COCCCNC(=O)CO WXVL_AK00637SB2706 [0,2,0,0,0,0|2,0,0]=4 810 B9R0.46 COCCCNC(=O)CO WXVL_AK00637SB2706 [0,2,0,0,0,0|2,0,0]=4 811 B9R0.46 CSCCCNC(=O)CO WXVL_AK0965SB2706 [0,2,0,0,0,0|2,0,0]=4 812 B9R0.46 CSCCCNC(=O)CO WXVL_AK0965SB2706 [0,2,0,0,0,0|2,0,0]=4 813 B9R0.46 O=C(CO)NCCCCO WXVL_AK0075SB2706 [0,2,0,0,0,0|2,0,0]=4 814 B9R0.46 O=C(CO)NCCCCO WXVL_AK0075SB2706 [0,2,0,0,0,0|2,0,0]=4 815 B9R0.47 C#CCCNC(=O)C(C)C WXVL_AK3109SB0052 [0,2,0,0,0,0|1,0,1]=4 816 B9R0.47 C#CCCNC(=O)C(C)C WXVL_AK3109SB0052 [0,2,0,0,0,0|1,0,1]=4 817 B9R0.47 C#CCCNC(=O)C(C)S WXVL_AK3109SB2708 [0,2,0,0,0,0|1,0,1]=4 818 B9R0.47 C#CCCNC(=O)C(C)S WXVL_AK3109SB2708 [0,2,0,0,0,0|1,0,1]=4 819 B9R0.47 C#CCCNC(=O)[C@@H](C)O WXVL_AK3109SB1085 [0,2,0,0,0,0|1,0,1]=4 820 B9R0.47 C#CCCNC(=O)[C@@H](C)O WXVL_AK3109SB1085 [0,2,0,0,0,0|1,0,1]=4 821 B9R0.47 C=CCCNC(=O)C(C)C WXVL_AK00138SB0052 [0,2,0,0,0,0|1,0,1]=4 822 B9R0.47 C=CCCNC(=O)C(C)C WXVL_AK00138SB0052 [0,2,0,0,0,0|1,0,1]=4 823 B9R0.47 C=CCCNC(=O)C(C)S WXVL_AK00138SB2708 [0,2,0,0,0,0|1,0,1]=4 824 B9R0.47 C=CCCNC(=O)C(C)S WXVL_AK00138SB2708 [0,2,0,0,0,0|1,0,1]=4 825 B9R0.47 C=CCCNC(=O)[C@@H](C)O WXVL_AK00138SB1085 [0,2,0,0,0,0|1,0,1]=4 826 B9R0.47 C=CCCNC(=O)[C@@H](C)O WXVL_AK00138SB1085 [0,2,0,0,0,0|1,0,1]=4 827 B9R0.47 CC(=O)C(=O)NCCCO WXVL_AK0073SB0051 [0,2,0,0,0,0|1,0,1]=4 828 B9R0.47 CC(=O)C(=O)NCCCO WXVL_AK0073SB0051 [0,2,0,0,0,0|1,0,1]=4 829 B9R0.47 CC(C)C(=O)NCCC#N WXVL_AK0087SB0052 [0,2,0,0,0,0|1,0,1]=4 830 B9R0.47 CC(C)C(=O)NCCC#N WXVL_AK0087SB0052 [0,2,0,0,0,0|1,0,1]=4 831 B9R0.47 CC(C)C(=O)NCCCO WXVL_AK0073SB0052 [0,2,0,0,0,0|1,0,0]=3 832 B9R0.47 CC(C)C(=O)NCCCO WXVL_AK0073SB0052 [0,2,0,0,0,0|1,0,0]=3 833 B9R0.47 CC(S)C(=O)NCCC#N WXVL_AK0087SB2708 [0,2,0,0,0,0|1,0,1]=4 834 B9R0.47 CC(S)C(=O)NCCC#N WXVL_AK0087SB2708 [0,2,0,0,0,0|1,0,1]=4 835 B9R0.47 CC(S)C(=O)NCCCO WXVL_AK0073SB2708 [0,2,0,0,0,0|1,0,0]=3 836 B9R0.47 CC(S)C(=O)NCCCO WXVL_AK0073SB2708 [0,2,0,0,0,0|1,0,0]=3 837 B9R0.47 CCCCNC(=O)C(=O)C WXVL_AK00588SB0051 [0,2,0,0,0,0|1,0,1]=4 838 B9R0.47 CCCCNC(=O)C(=O)C WXVL_AK00588SB0051 [0,2,0,0,0,0|1,0,1]=4 839 B9R0.47 CCCCNC(=O)C(C)C WXVL_AK00588SB0052 [0,2,0,0,0,0|1,0,0]=3 840 B9R0.47 CCCCNC(=O)C(C)C WXVL_AK00588SB0052 [0,2,0,0,0,0|1,0,0]=3 841 B9R0.47 CCCCNC(=O)C(C)S WXVL_AK00588SB2708 [0,2,0,0,0,0|1,0,0]=3 842 B9R0.47 CCCCNC(=O)C(C)S WXVL_AK00588SB2708 [0,2,0,0,0,0|1,0,0]=3 843 B9R0.47 CCCCNC(=O)C(F)F WXVL_AK00588SB0079 [0,2,0,0,0,0|2,0,0]=4 844 B9R0.47 CCCCNC(=O)C(F)F WXVL_AK00588SB0079 [0,2,0,0,0,0|2,0,0]=4 845 B9R0.47 CCCCNC(=O)[C@@H](C)O WXVL_AK00588SB1085 [0,2,0,0,0,0|1,0,0]=3 846 B9R0.47 CCCCNC(=O)[C@@H](C)O WXVL_AK00588SB1085 [0,2,0,0,0,0|1,0,0]=3 847 B9R0.47 CN(C)C(=O)CCCCBr WXVL_AN0032SB3153 [0,2,0,0,0,0|2,0,0]=4 848 B9R0.47 CN(C)C(=O)CCCCBr WXVL_AN0032SB3153 [0,2,0,0,0,0|2,0,0]=4 849 B9R0.47 CN(C)C(=O)CCCCCl WXVL_AN0032SB0379 [0,2,0,0,0,0|2,0,0]=4 850 B9R0.47 CN(C)C(=O)CCCCCl WXVL_AN0032SB0379 [0,2,0,0,0,0|2,0,0]=4 851 B9R0.47 CN(C)C(=O)NCCCCl WXVL_AN0032YV0130 [0,2,0,0,0,0|2,0,0]=4 852 B9R0.47 CN(C)C(=O)NCCCCl WXVL_AN0032YV0130 [0,2,0,0,0,0|2,0,0]=4 853 B9R0.47 CSCCNC(=O)C(=O)C WXVL_AK00440SB0051 [0,2,0,0,0,0|1,0,1]=4 854 B9R0.47 CSCCNC(=O)C(=O)C WXVL_AK00440SB0051 [0,2,0,0,0,0|1,0,1]=4 855 B9R0.47 CSCCNC(=O)C(C)C WXVL_AK00440SB0052 [0,2,0,0,0,0|1,0,0]=3 856 B9R0.47 CSCCNC(=O)C(C)C WXVL_AK00440SB0052 [0,2,0,0,0,0|1,0,0]=3 857 B9R0.47 CSCCNC(=O)C(C)S WXVL_AK00440SB2708 [0,2,0,0,0,0|1,0,0]=3 858 B9R0.47 CSCCNC(=O)C(C)S WXVL_AK00440SB2708 [0,2,0,0,0,0|1,0,0]=3 859 B9R0.47 CSCCNC(=O)C(F)F WXVL_AK00440SB0079 [0,2,0,0,0,0|2,0,0]=4 860 B9R0.47 CSCCNC(=O)C(F)F WXVL_AK00440SB0079 [0,2,0,0,0,0|2,0,0]=4 861 B9R0.47 CSCCNC(=O)[C@@H](C)O WXVL_AK00440SB1085 [0,2,0,0,0,0|1,0,0]=3 862 B9R0.47 CSCCNC(=O)[C@@H](C)O WXVL_AK00440SB1085 [0,2,0,0,0,0|1,0,0]=3 863 B9R0.47 C[C@@H](O)C(=O)NCCC#N WXVL_AK0087SB1085 [0,2,0,0,0,0|1,0,1]=4 864 B9R0.47 C[C@@H](O)C(=O)NCCC#N WXVL_AK0087SB1085 [0,2,0,0,0,0|1,0,1]=4 865 B9R0.47 C[C@@H](O)C(=O)NCCCO WXVL_AK0073SB1085 [0,2,0,0,0,0|1,0,0]=3 866 B9R0.47 C[C@@H](O)C(=O)NCCCO WXVL_AK0073SB1085 [0,2,0,0,0,0|1,0,0]=3 867 B9R0.47 O=C(NCCCO)C(F)F WXVL_AK0073SB0079 [0,2,0,0,0,0|2,0,0]=4 868 B9R0.47 O=C(NCCCO)C(F)F WXVL_AK0073SB0079 [0,2,0,0,0,0|2,0,0]=4 869 B9R0.3 CC(C)(Br)C(=O)NCCF WXVL_AK00466SB0432 [0,2,0,0,0,0|2,0,0]=4 870 B9R0.3 CC(C)(Br)C(=O)NCCF WXVL_AK00466SB0432 [0,2,0,0,0,0|2,0,0]=4 871 B9R0.3 CC(C)(C)C(=O)NCCF WXVL_AK00466SB0078 [0,2,0,0,0,0|2,0,0]=4 872 B9R0.3 CC(C)(C)C(=O)NCCF WXVL_AK00466SB0078 [0,2,0,0,0,0|2,0,0]=4 873 B9R0.3 CC(C)(F)C(=O)NCCF WXVL_AK00466SB0199 [0,2,0,0,0,0|2,0,0]=4 874 B9R0.3 CC(C)(F)C(=O)NCCF WXVL_AK00466SB0199 [0,2,0,0,0,0|2,0,0]=4 875 B9R0.3 CC(C)(O)C(=O)NCCF WXVL_AK00466SB0125 [0,2,0,0,0,0|2,0,0]=4 876 B9R0.3 CC(C)(O)C(=O)NCCF WXVL_AK00466SB0125 [0,2,0,0,0,0|2,0,0]=4 877 B9R0.3 CC(F)(F)C(=O)NCCF WXVL_AK00466SB0197 [0,2,0,0,0,0|2,0,0]=4 878 B9R0.3 CC(F)(F)C(=O)NCCF WXVL_AK00466SB0197 [0,2,0,0,0,0|2,0,0]=4 879 B9R0.3 CCCNC(=O)C(C)(C)Br WXVL_AK00504SB0432 [0,2,0,0,0,0|1,0,0]=3 880 B9R0.3 CCCNC(=O)C(C)(C)Br WXVL_AK00504SB0432 [0,2,0,0,0,0|1,0,0]=3 881 B9R0.3 CCCNC(=O)C(C)(C)C WXVL_AK00504SB0078 [0,2,0,0,0,0|1,0,0]=3 882 B9R0.3 CCCNC(=O)C(C)(C)C WXVL_AK00504SB0078 [0,2,0,0,0,0|1,0,0]=3 883 B9R0.3 CCCNC(=O)C(C)(C)F WXVL_AK00504SB0199 [0,2,0,0,0,0|1,0,0]=3 884 B9R0.3 CCCNC(=O)C(C)(C)F WXVL_AK00504SB0199 [0,2,0,0,0,0|1,0,0]=3 885 B9R0.3 CCCNC(=O)C(C)(C)O WXVL_AK00504SB0125 [0,2,0,0,0,0|1,0,0]=3 886 B9R0.3 CCCNC(=O)C(C)(C)O WXVL_AK00504SB0125 [0,2,0,0,0,0|1,0,0]=3 887 B9R0.3 CCCNC(=O)C(C)(F)F WXVL_AK00504SB0197 [0,2,0,0,0,0|1,0,0]=3 888 B9R0.3 CCCNC(=O)C(C)(F)F WXVL_AK00504SB0197 [0,2,0,0,0,0|1,0,0]=3 889 B9R0.3 CCCNC(=O)C(Cl)(Cl)Cl WXVL_AK00504SB0416 [0,2,0,0,0,0|2,0,0]=4 890 B9R0.3 CCCNC(=O)C(Cl)(Cl)Cl WXVL_AK00504SB0416 [0,2,0,0,0,0|2,0,0]=4 891 B9R0.3 CCCNC(=O)C(F)(F)Cl WXVL_AK00504SB3129 [0,2,0,0,0,0|2,0,0]=4 892 B9R0.3 CCCNC(=O)C(F)(F)Cl WXVL_AK00504SB3129 [0,2,0,0,0,0|2,0,0]=4 893 B9R0.7 C=C(C)CNC(=O)C(C)C WXVL_AK0761SB0052 [0,2,0,0,0,0|1,0,1]=4 894 B9R0.7 C=C(C)CNC(=O)C(C)C WXVL_AK0761SB0052 [0,2,0,0,0,0|1,0,1]=4 895 B9R0.7 C=C(C)CNC(=O)C(C)S WXVL_AK0761SB2708 [0,2,0,0,0,0|1,0,1]=4 896 B9R0.7 C=C(C)CNC(=O)C(C)S WXVL_AK0761SB2708 [0,2,0,0,0,0|1,0,1]=4 897 B9R0.7 C=C(C)CNC(=O)[C@@H](C)O WXVL_AK0761SB1085 [0,2,0,0,0,0|1,0,1]=4 898 B9R0.7 C=C(C)CNC(=O)[C@@H](C)O WXVL_AK0761SB1085 [0,2,0,0,0,0|1,0,1]=4 899 B9R0.7 CC(=O)C(=O)NCC(C)C WXVL_AK00544SB0051 [0,2,0,0,0,0|1,0,1]=4 900 B9R0.7 CC(=O)C(=O)NCC(C)C WXVL_AK00544SB0051 [0,2,0,0,0,0|1,0,1]=4 901 B9R0.7 CC(=O)C(=O)NCC(C)O WXVL_AK0052SB0051 [0,2,0,0,0,0|1,0,1]=4 902 B9R0.7 CC(=O)C(=O)NCC(C)O WXVL_AK0052SB0051 [0,2,0,0,0,0|1,0,1]=4 903 B9R0.7 CC(=O)C(=O)NC[C@H](C)O WXVL_AK0113SB0051 [0,2,0,0,0,0|1,0,1]=4 904 B9R0.7 CC(=O)C(=O)NC[C@H](C)O WXVL_AK0113SB0051 [0,2,0,0,0,0|1,0,1]=4 905 B9R0.7 CC(C)C(=O)NCC(F)F WXVL_AK0136SB0052 [0,2,0,0,0,0|2,0,0]=4 906 B9R0.7 CC(C)C(=O)NCC(F)F WXVL_AK0136SB0052 [0,2,0,0,0,0|2,0,0]=4 907 B9R0.7 CC(C)C(=O)NC[C@H](C)O WXVL_AK0113SB0052 [0,2,0,0,0,0|1,0,0]=3 908 B9R0.7 CC(C)C(=O)NC[C@H](C)O WXVL_AK0113SB0052 [0,2,0,0,0,0|1,0,0]=3 909 B9R0.7 CC(C)CCC(=O)N(C)C WXVL_AN0032SB0354 [0,2,0,0,0,0|2,0,0]=4 910 B9R0.7 CC(C)CCC(=O)N(C)C WXVL_AN0032SB0354 [0,2,0,0,0,0|2,0,0]=4 911 B9R0.7 CC(C)CNC(=O)C(C)C WXVL_AK00544SB0052 [0,2,0,0,0,0|1,0,0]=3 912 B9R0.7 CC(C)CNC(=O)C(C)C WXVL_AK00544SB0052 [0,2,0,0,0,0|1,0,0]=3 913 B9R0.7 CC(C)CNC(=O)C(C)S WXVL_AK00544SB2708 [0,2,0,0,0,0|1,0,0]=3 914 B9R0.7 CC(C)CNC(=O)C(C)S WXVL_AK00544SB2708 [0,2,0,0,0,0|1,0,0]=3 915 B9R0.7 CC(C)CNC(=O)C(F)F WXVL_AK00544SB0079 [0,2,0,0,0,0|2,0,0]=4 916 B9R0.7 CC(C)CNC(=O)C(F)F WXVL_AK00544SB0079 [0,2,0,0,0,0|2,0,0]=4 917 B9R0.7 CC(C)CNC(=O)[C@@H](C)O WXVL_AK00544SB1085 [0,2,0,0,0,0|1,0,0]=3 918 B9R0.7 CC(C)CNC(=O)[C@@H](C)O WXVL_AK00544SB1085 [0,2,0,0,0,0|1,0,0]=3 919 B9R0.7 CC(O)CNC(=O)C(C)C WXVL_AK0052SB0052 [0,2,0,0,0,0|1,0,0]=3 920 B9R0.7 CC(O)CNC(=O)C(C)C WXVL_AK0052SB0052 [0,2,0,0,0,0|1,0,0]=3 921 B9R0.7 CC(O)CNC(=O)C(C)S WXVL_AK0052SB2708 [0,2,0,0,0,0|1,0,0]=3 922 B9R0.7 CC(O)CNC(=O)C(C)S WXVL_AK0052SB2708 [0,2,0,0,0,0|1,0,0]=3 923 B9R0.7 CC(O)CNC(=O)C(F)F WXVL_AK0052SB0079 [0,2,0,0,0,0|2,0,0]=4 924 B9R0.7 CC(O)CNC(=O)C(F)F WXVL_AK0052SB0079 [0,2,0,0,0,0|2,0,0]=4 925 B9R0.7 CC(O)CNC(=O)[C@@H](C)O WXVL_AK0052SB1085 [0,2,0,0,0,0|1,0,0]=3 926 B9R0.7 CC(O)CNC(=O)[C@@H](C)O WXVL_AK0052SB1085 [0,2,0,0,0,0|1,0,0]=3 927 B9R0.7 CC(S)C(=O)NCC(F)F WXVL_AK0136SB2708 [0,2,0,0,0,0|2,0,0]=4 928 B9R0.7 CC(S)C(=O)NCC(F)F WXVL_AK0136SB2708 [0,2,0,0,0,0|2,0,0]=4 929 B9R0.7 CC(S)C(=O)NC[C@H](C)O WXVL_AK0113SB2708 [0,2,0,0,0,0|1,0,0]=3 930 B9R0.7 CC(S)C(=O)NC[C@H](C)O WXVL_AK0113SB2708 [0,2,0,0,0,0|1,0,0]=3 931 B9R0.7 C[C@@H](O)C(=O)NCC(F)F WXVL_AK0136SB1085 [0,2,0,0,0,0|2,0,0]=4 932 B9R0.7 C[C@@H](O)C(=O)NCC(F)F WXVL_AK0136SB1085 [0,2,0,0,0,0|2,0,0]=4 933 B9R0.7 C[C@H](O)CNC(=O)C(F)F WXVL_AK0113SB0079 [0,2,0,0,0,0|2,0,0]=4 934 B9R0.7 C[C@H](O)CNC(=O)C(F)F WXVL_AK0113SB0079 [0,2,0,0,0,0|2,0,0]=4 935 B9R0.7 C[C@H](O)CNC(=O)[C@@H](C)O WXVL_AK0113SB1085 [0,2,0,0,0,0|1,0,0]=3 936 B9R0.7 C[C@H](O)CNC(=O)[C@@H](C)O WXVL_AK0113SB1085 [0,2,0,0,0,0|1,0,0]=3 937 B9R0.42 CC(C)C(=O)N[C@@H](C)CF WXVL_AK00558SB0052 [0,2,0,0,0,0|2,0,0]=4 938 B9R0.42 CC(C)C(=O)N[C@@H](C)CF WXVL_AK00558SB0052 [0,2,0,0,0,0|2,0,0]=4 939 B9R0.42 CC(C)C(=O)N[C@@H](C)CO WXVL_AK0109SB0052 [0,2,0,0,0,0|2,0,0]=4 940 B9R0.42 CC(C)C(=O)N[C@@H](C)CO WXVL_AK0109SB0052 [0,2,0,0,0,0|2,0,0]=4 941 B9R0.42 CC(S)C(=O)N[C@@H](C)CF WXVL_AK00558SB2708 [0,2,0,0,0,0|2,0,0]=4 942 B9R0.42 CC(S)C(=O)N[C@@H](C)CF WXVL_AK00558SB2708 [0,2,0,0,0,0|2,0,0]=4 943 B9R0.42 CC(S)C(=O)N[C@@H](C)CO WXVL_AK0109SB2708 [0,2,0,0,0,0|2,0,0]=4 944 B9R0.42 CC(S)C(=O)N[C@@H](C)CO WXVL_AK0109SB2708 [0,2,0,0,0,0|2,0,0]=4 945 B9R0.42 CCC(C)CC(=O)N(C)C WXVL_AN0032SB0353 [0,2,0,0,0,0|2,0,0]=4 946 B9R0.42 CCC(C)CC(=O)N(C)C WXVL_AN0032SB0353 [0,2,0,0,0,0|2,0,0]=4 947 B9R0.42 CCC(O)CC(=O)N(C)C WXVL_AN0032SB4092 [0,2,0,0,0,0|2,0,0]=4 948 B9R0.42 CCC(O)CC(=O)N(C)C WXVL_AN0032SB4092 [0,2,0,0,0,0|2,0,0]=4 949 B9R0.42 CC[C@@H](C)CC(=O)N(C)C WXVL_AN0032SB8650 [0,2,0,0,0,0|2,0,0]=4 950 B9R0.42 CC[C@@H](C)CC(=O)N(C)C WXVL_AN0032SB8650 [0,2,0,0,0,0|2,0,0]=4 951 B9R0.42 CC[C@H](C)NC(=O)C(=O)C WXVL_AK00678SB0051 [0,2,0,0,0,0|1,0,1]=4 952 B9R0.42 CC[C@H](C)NC(=O)C(=O)C WXVL_AK00678SB0051 [0,2,0,0,0,0|1,0,1]=4 953 B9R0.42 CC[C@H](C)NC(=O)C(C)C WXVL_AK00678SB0052 [0,2,0,0,0,0|1,0,0]=3 954 B9R0.42 CC[C@H](C)NC(=O)C(C)C WXVL_AK00678SB0052 [0,2,0,0,0,0|1,0,0]=3 955 B9R0.42 CC[C@H](C)NC(=O)C(C)S WXVL_AK00678SB2708 [0,2,0,0,0,0|1,0,0]=3 956 B9R0.42 CC[C@H](C)NC(=O)C(C)S WXVL_AK00678SB2708 [0,2,0,0,0,0|1,0,0]=3 957 B9R0.42 CC[C@H](C)NC(=O)C(F)F WXVL_AK00678SB0079 [0,2,0,0,0,0|2,0,0]=4 958 B9R0.42 CC[C@H](C)NC(=O)C(F)F WXVL_AK00678SB0079 [0,2,0,0,0,0|2,0,0]=4 959 B9R0.42 CC[C@H](C)NC(=O)[C@@H](C)O WXVL_AK00678SB1085 [0,2,0,0,0,0|1,0,0]=3 960 B9R0.42 CC[C@H](C)NC(=O)[C@@H](C)O WXVL_AK00678SB1085 [0,2,0,0,0,0|1,0,0]=3 961 B9R0.42 C[C@@H](CF)NC(=O)[C@@H](C)O WXVL_AK00558SB1085 [0,2,0,0,0,0|2,0,0]=4 962 B9R0.42 C[C@@H](CF)NC(=O)[C@@H](C)O WXVL_AK00558SB1085 [0,2,0,0,0,0|2,0,0]=4 963 B9R0.42 C[C@@H](CO)NC(=O)[C@@H](C)O WXVL_AK0109SB1085 [0,2,0,0,0,0|2,0,0]=4 964 B9R0.42 C[C@@H](CO)NC(=O)[C@@H](C)O WXVL_AK0109SB1085 [0,2,0,0,0,0|2,0,0]=4 965 B9R0.51 CCCNS(=O)(=O)C(C)C WXVL_AK00504HU0023 [0,2,0,0,0,0|2,0,0]=4 966 B9R0.51 CCCNS(=O)(=O)C(C)C WXVL_AK00504HU0023 [0,2,0,0,0,0|2,0,0]=4 967 B9R0.21 CC(C)(C)CNC(=O)CO WXVL_AK00655SB2706 [0,2,0,0,0,0|2,0,0]=4 968 B9R0.21 CC(C)(C)CNC(=O)CO WXVL_AK00655SB2706 [0,2,0,0,0,0|2,0,0]=4 969 B9R0.21 CC(C)(F)CNC(=O)CO WXVL_AK00660SB2706 [0,2,0,0,0,0|2,0,0]=4 970 B9R0.21 CC(C)(F)CNC(=O)CO WXVL_AK00660SB2706 [0,2,0,0,0,0|2,0,0]=4 971 B9R0.21 CC(C)(O)CNC(=O)CO WXVL_AK0490SB2706 [0,2,0,0,0,0|2,0,0]=4 972 B9R0.21 CC(C)(O)CNC(=O)CO WXVL_AK0490SB2706 [0,2,0,0,0,0|2,0,0]=4 973 B9R0.21 CC(F)(F)CNC(=O)CO WXVL_AK0308SB2706 [0,2,0,0,0,0|2,0,0]=4 974 B9R0.21 CC(F)(F)CNC(=O)CO WXVL_AK0308SB2706 [0,2,0,0,0,0|2,0,0]=4 975 B9R0.21 CCC(=O)NCC(C)(C)C WXVL_AK00655SB0064 [0,2,0,0,0,0|1,0,0]=3 976 B9R0.21 CCC(=O)NCC(C)(C)C WXVL_AK00655SB0064 [0,2,0,0,0,0|1,0,0]=3 977 B9R0.21 CCC(=O)NCC(C)(C)F WXVL_AK00660SB0064 [0,2,0,0,0,0|1,0,0]=3 978 B9R0.21 CCC(=O)NCC(C)(C)F WXVL_AK00660SB0064 [0,2,0,0,0,0|1,0,0]=3 979 B9R0.21 CCC(=O)NCC(C)(C)O WXVL_AK0490SB0064 [0,2,0,0,0,0|1,0,0]=3 980 B9R0.21 CCC(=O)NCC(C)(C)O WXVL_AK0490SB0064 [0,2,0,0,0,0|1,0,0]=3 981 B9R0.21 CCC(=O)NCC(C)(F)F WXVL_AK0308SB0064 [0,2,0,0,0,0|1,0,0]=3 982 B9R0.21 CCC(=O)NCC(C)(F)F WXVL_AK0308SB0064 [0,2,0,0,0,0|1,0,0]=3 983 B9R0.21 CCC(=O)NCC(F)(F)F WXVL_AK00033SB0064 [0,2,0,0,0,0|2,0,0]=4 984 B9R0.21 CCC(=O)NCC(F)(F)F WXVL_AK00033SB0064 [0,2,0,0,0,0|2,0,0]=4 985 B9R0.64 CCS(=O)(=O)NCC(C)C WXVL_AK00544HU0028 [0,2,0,0,0,0|2,0,0]=4 986 B9R0.64 CCS(=O)(=O)NCC(C)C WXVL_AK00544HU0028 [0,2,0,0,0,0|2,0,0]=4 987 B9R0.64 CCS(=O)(=O)NCC(C)O WXVL_AK0052HU0028 [0,2,0,0,0,0|2,0,0]=4 988 B9R0.64 CCS(=O)(=O)NCC(C)O WXVL_AK0052HU0028 [0,2,0,0,0,0|2,0,0]=4 989 B9R0.64 CCS(=O)(=O)NC[C@H](C)O WXVL_AK0113HU0028 [0,2,0,0,0,0|2,0,0]=4 990 B9R0.64 CCS(=O)(=O)NC[C@H](C)O WXVL_AK0113HU0028 [0,2,0,0,0,0|2,0,0]=4 991 B9R0.26 C=C[C@@H](CO)NC(=O)CC WXVL_AK00581SB0064 [0,2,0,0,0,0|2,0,0]=4 992 B9R0.26 C=C[C@@H](CO)NC(=O)CC WXVL_AK00581SB0064 [0,2,0,0,0,0|2,0,0]=4 993 B9R0.26 CCC(=O)NC(CO)CO WXVL_AK0741SB0064 [0,2,0,0,0,0|2,0,0]=4 994 B9R0.26 CCC(=O)NC(CO)CO WXVL_AK0741SB0064 [0,2,0,0,0,0|2,0,0]=4 995 B9R0.26 CCC(=O)N[C@H](CC)CO WXVL_AK0111SB0064 [0,2,0,0,0,0|1,0,0]=3 996 B9R0.26 CCC(=O)N[C@H](CC)CO WXVL_AK0111SB0064 [0,2,0,0,0,0|1,0,0]=3 997 B9R0.26 CC[C@H](CO)NC(=O)CO WXVL_AK0111SB2706 [0,2,0,0,0,0|2,0,0]=4 998 B9R0.26 CC[C@H](CO)NC(=O)CO WXVL_AK0111SB2706 [0,2,0,0,0,0|2,0,0]=4 999 B9R0.22 CCC(=O)NC(C)(C)CO WXVL_AK0025SB0064 [0,2,0,0,0,0|2,0,0]=4 1000 B9R0.22 CCC(=O)NC(C)(C)CO WXVL_AK0025SB0064 [0,2,0,0,0,0|2,0,0]=4 1001 B9R0.22 CC[C@H](C)NS(=O)(=O)CC WXVL_AK00678HU0028 [0,2,0,0,0,0|2,0,0]=4 1002 B9R0.22 CC[C@H](C)NS(=O)(=O)CC WXVL_AK00678HU0028 [0,2,0,0,0,0|2,0,0]=4 1003 B7R1.22 CNC(=O)C1CC1 WXVL_AK00442SB0038 [1,0,0,1,0,0|1,0,0]=3 1004 B7R1.22 CNC(=O)C1CC1 WXVL_AK00442SB0038 [1,0,0,1,0,0|1,0,0]=3 1005 B7R1.12 CC1CC1C(=O)N WXVL_AK0084SB0041 [1,0,0,1,0,0|2,0,0]=4 1006 B7R1.12 CC1CC1C(=O)N WXVL_AK0084SB0041 [1,0,0,1,0,0|2,0,0]=4 1007 B7R1.18 NC(=O)C1CCC1 WXVL_AK0084SB0042 [1,0,0,1,0,0|2,0,0]=4 1008 B7R1.18 NC(=O)C1CCC1 WXVL_AK0084SB0042 [1,0,0,1,0,0|2,0,0]=4 1009 B7R1.20 CC(=O)NC1CC1 WXVL_AK0001SB0150 [1,0,0,1,0,0|1,0,0]=3 1010 B7R1.20 CC(=O)NC1CC1 WXVL_AK0001SB0150 [1,0,0,1,0,0|1,0,0]=3 1011 B7R1.20 NC(=O)CC1CC1 WXVL_AK0084SB0155 [1,0,0,1,0,0|2,0,0]=4 1012 B7R1.20 NC(=O)CC1CC1 WXVL_AK0084SB0155 [1,0,0,1,0,0|2,0,0]=4 1013 B9R1.73 CCNC(=O)C1CCC1 WXVL_AK00476SB0042 [0,1,0,1,0,0|1,0,0]=3 1014 B9R1.73 CCNC(=O)C1CCC1 WXVL_AK00476SB0042 [0,1,0,1,0,0|1,0,0]=3 1015 B9R1.75 C#CCC(=O)NC1CC1 WXVL_AK0001SB3070 [0,1,0,1,0,0|1,0,1]=4 1016 B9R1.75 C#CCC(=O)NC1CC1 WXVL_AK0001SB3070 [0,1,0,1,0,0|1,0,1]=4 1017 B9R1.75 C/C=C/C(=O)NC1CC1 WXVL_AK0001SB0340 [0,1,0,1,0,0|1,0,1]=4 1018 B9R1.75 C/C=C/C(=O)NC1CC1 WXVL_AK0001SB0340 [0,1,0,1,0,0|1,0,1]=4 1019 B9R1.75 C=CCC(=O)NC1CC1 WXVL_AK0001SB2732 [0,1,0,1,0,0|1,0,1]=4 1020 B9R1.75 C=CCC(=O)NC1CC1 WXVL_AK0001SB2732 [0,1,0,1,0,0|1,0,1]=4 1021 B9R1.75 CC#CC(=O)NC1CC1 WXVL_AK0001SB1240 [0,1,0,1,0,0|1,0,1]=4 1022 B9R1.75 CC#CC(=O)NC1CC1 WXVL_AK0001SB1240 [0,1,0,1,0,0|1,0,1]=4 1023 B9R1.75 CCCC(=O)NC1CC1 WXVL_AK0001SB0073 [0,1,0,1,0,0|1,0,0]=3 1024 B9R1.75 CCCC(=O)NC1CC1 WXVL_AK0001SB0073 [0,1,0,1,0,0|1,0,0]=3 1025 B9R1.75 CCNC(=O)CC1CC1 WXVL_AK00476SB0155 [0,1,0,1,0,0|1,0,0]=3 1026 B9R1.75 CCNC(=O)CC1CC1 WXVL_AK00476SB0155 [0,1,0,1,0,0|1,0,0]=3 1027 B9R1.75 COCC(=O)NC1CC1 WXVL_AK0001SB0090 [0,1,0,1,0,0|1,0,0]=3 1028 B9R1.75 COCC(=O)NC1CC1 WXVL_AK0001SB0090 [0,1,0,1,0,0|1,0,0]=3 1029 B9R1.75 CSCC(=O)NC1CC1 WXVL_AK0001SB1267 [0,1,0,1,0,0|1,0,0]=3 1030 B9R1.75 CSCC(=O)NC1CC1 WXVL_AK0001SB1267 [0,1,0,1,0,0|1,0,0]=3 1031 B9R1.75 N#CCC(=O)NC1CC1 WXVL_AK0001SB0057 [0,1,0,1,0,0|1,0,1]=4 1032 B9R1.75 N#CCC(=O)NC1CC1 WXVL_AK0001SB0057 [0,1,0,1,0,0|1,0,1]=4 1033 B9R1.100 CCCNC(=O)C1CC1 WXVL_AK00504SB0038 [0,1,0,1,0,0|1,0,0]=3 1034 B9R1.100 CCCNC(=O)C1CC1 WXVL_AK00504SB0038 [0,1,0,1,0,0|1,0,0]=3 1035 B9R1.100 O=C(NCCF)C1CC1 WXVL_AK00466SB0038 [0,1,0,1,0,0|2,0,0]=4 1036 B9R1.100 O=C(NCCF)C1CC1 WXVL_AK00466SB0038 [0,1,0,1,0,0|2,0,0]=4 1037 B9R1.183 CCNC(=O)C1CC1C WXVL_AK00476SB0041 [0,1,0,1,0,0|1,0,0]=3 1038 B9R1.183 CCNC(=O)C1CC1C WXVL_AK00476SB0041 [0,1,0,1,0,0|1,0,0]=3 1039 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK00476SB1245 [0,1,0,1,0,0|2,0,0]=4 1040 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK00476SB1245 [0,1,0,1,0,0|2,0,0]=4 1041 B9R1.183 CCNC(=O)[C@H]1C[C@H]1F WXVL_AK00476SB00019 [0,1,0,1,0,0|2,0,0]=4 1042 B9R1.183 CCNC(=O)[C@H]1C[C@H]1F WXVL_AK00476SB00019 [0,1,0,1,0,0|2,0,0]=4 1043 B9R1.11 CCC(=O)N1CCCC1 WXVL_AN0008SB0064 [0,1,0,1,0,0|1,0,0]=3 1044 B9R1.11 CCC(=O)N1CCCC1 WXVL_AN0008SB0064 [0,1,0,1,0,0|1,0,0]=3 1045 B9R1.11 CNC(=O)C1CCCC1 WXVL_AK00442SB0043 [0,1,0,1,0,0|2,0,0]=4 1046 B9R1.11 CNC(=O)C1CCCC1 WXVL_AK00442SB0043 [0,1,0,1,0,0|2,0,0]=4 1047 B9R1.11 CNC(=O)C1CCCO1 WXVL_AK00442SB1033 [0,1,0,1,0,0|1,0,0]=3 1048 B9R1.11 CNC(=O)C1CCCO1 WXVL_AK00442SB1033 [0,1,0,1,0,0|1,0,0]=3 1049 B9R1.11 CNC(=O)C1CCCS1 WXVL_AK00442SB0022 [0,1,0,1,0,0|1,1,0]=4 1050 B9R1.11 CNC(=O)C1CCCS1 WXVL_AK00442SB0022 [0,1,0,1,0,0|1,1,0]=4 1051 B9R1.11 CNC(=O)[C@H]1CCCO1 WXVL_AK00442SB00043 [0,1,0,1,0,0|1,0,0]=3 1052 B9R1.11 CNC(=O)[C@H]1CCCO1 WXVL_AK00442SB00043 [0,1,0,1,0,0|1,0,0]=3 1053 B9R1.11 O=C(CO)N1CCCC1 WXVL_AN0008SB2706 [0,1,0,1,0,0|2,0,0]=4 1054 B9R1.11 O=C(CO)N1CCCC1 WXVL_AN0008SB2706 [0,1,0,1,0,0|2,0,0]=4 1055 B9R1.82 CC1CN(C1)C(=O)CO WXVL_AN0291SB2706 [0,1,0,1,0,0|2,0,0]=4 1056 B9R1.82 CC1CN(C1)C(=O)CO WXVL_AN0291SB2706 [0,1,0,1,0,0|2,0,0]=4 1057 B9R1.82 CCC(=O)N1CC(C1)C WXVL_AN0291SB0064 [0,1,0,1,0,0|1,0,0]=3 1058 B9R1.82 CCC(=O)N1CC(C1)C WXVL_AN0291SB0064 [0,1,0,1,0,0|1,0,0]=3 1059 B9R1.82 CCC(=O)N1CC(C1)O WXVL_AN0284SB0064 [0,1,0,1,0,0|1,0,0]=3 1060 B9R1.82 CCC(=O)N1CC(C1)O WXVL_AN0284SB0064 [0,1,0,1,0,0|1,0,0]=3 1061 B9R1.82 CNC(=O)[C@H]1C[C@@H](C1)O WXVL_AK00442SB3648 [0,1,0,1,0,0|2,0,0]=4 1062 B9R1.82 CNC(=O)[C@H]1C[C@@H](C1)O WXVL_AK00442SB3648 [0,1,0,1,0,0|2,0,0]=4 1063 B9R1.82 CNC(=O)[C@H]1C[C@H](C1)O WXVL_AK00442SB0837 [0,1,0,1,0,0|2,0,0]=4 1064 B9R1.82 CNC(=O)[C@H]1C[C@H](C1)O WXVL_AK00442SB0837 [0,1,0,1,0,0|2,0,0]=4 1065 B9R1.82 O=C(CO)N1CC(C1)O WXVL_AN0284SB2706 [0,1,0,1,0,0|2,0,0]=4 1066 B9R1.82 O=C(CO)N1CC(C1)O WXVL_AN0284SB2706 [0,1,0,1,0,0|2,0,0]=4 1067 B9R1.101 CCC(=O)N(C)C1CC1 WXVL_AN0276SB0064 [0,1,0,1,0,0|1,0,0]=3 1068 B9R1.101 CCC(=O)N(C)C1CC1 WXVL_AN0276SB0064 [0,1,0,1,0,0|1,0,0]=3 1069 B9R1.101 CN(C(=O)CO)C1CC1 WXVL_AN0276SB2706 [0,1,0,1,0,0|2,0,0]=4 1070 B9R1.101 CN(C(=O)CO)C1CC1 WXVL_AN0276SB2706 [0,1,0,1,0,0|2,0,0]=4 1071 B9R1.101 CNC(=O)C(=O)C1CC1 WXVL_AK00442SB3659 [0,1,0,1,0,0|2,0,0]=4 1072 B9R1.101 CNC(=O)C(=O)C1CC1 WXVL_AK00442SB3659 [0,1,0,1,0,0|2,0,0]=4 1073 B9R1.186 CNC(=O)C1(CCC1)Br WXVL_AK00442SB0465 [0,1,0,1,0,0|2,0,0]=4 1074 B9R1.186 CNC(=O)C1(CCC1)Br WXVL_AK00442SB0465 [0,1,0,1,0,0|2,0,0]=4 1075 B9R1.186 CNC(=O)C1(CCC1)C WXVL_AK00442SB0805 [0,1,0,1,0,0|2,0,0]=4 1076 B9R1.186 CNC(=O)C1(CCC1)C WXVL_AK00442SB0805 [0,1,0,1,0,0|2,0,0]=4 1077 B9R1.186 CNC(=O)C1(CCC1)F WXVL_AK00442SB0033 [0,1,0,1,0,0|2,0,0]=4 1078 B9R1.186 CNC(=O)C1(CCC1)F WXVL_AK00442SB0033 [0,1,0,1,0,0|2,0,0]=4 1079 B9R1.79 CCC(=O)NC1CNC1 WXVL_AK1291SB0064 [0,1,0,1,0,0|1,0,0]=3 1080 B9R1.79 CCC(=O)NC1CNC1 WXVL_AK1291SB0064 [0,1,0,1,0,0|1,0,0]=3 1081 B9R1.79 CCC(=O)NC1CSC1 WXVL_AK2089SB0064 [0,1,0,1,0,0|1,0,0]=3 1082 B9R1.79 CCC(=O)NC1CSC1 WXVL_AK2089SB0064 [0,1,0,1,0,0|1,0,0]=3 1083 B9R1.79 CNC(=O)CC1CCC1 WXVL_AK00442SB2207 [0,1,0,1,0,0|2,0,0]=4 1084 B9R1.79 CNC(=O)CC1CCC1 WXVL_AK00442SB2207 [0,1,0,1,0,0|2,0,0]=4 1085 B9R1.79 O=C(CO)NC1CNC1 WXVL_AK1291SB2706 [0,1,0,1,0,0|2,0,0]=4 1086 B9R1.79 O=C(CO)NC1CNC1 WXVL_AK1291SB2706 [0,1,0,1,0,0|2,0,0]=4 1087 B9R1.79 O=C(CO)NC1CSC1 WXVL_AK2089SB2706 [0,1,0,1,0,0|2,0,0]=4 1088 B9R1.79 O=C(CO)NC1CSC1 WXVL_AK2089SB2706 [0,1,0,1,0,0|2,0,0]=4 1089 B9R1.80 CNC(=O)C=CC1CC1 WXVL_AK00442SB4216 [0,1,0,1,0,0|2,0,0]=4 1090 B9R1.80 CNC(=O)C=CC1CC1 WXVL_AK00442SB4216 [0,1,0,1,0,0|2,0,0]=4 1091 B9R1.80 CNC(=O)CCC1CC1 WXVL_AK00442SB5360 [0,1,0,1,0,0|2,0,0]=4 1092 B9R1.80 CNC(=O)CCC1CC1 WXVL_AK00442SB5360 [0,1,0,1,0,0|2,0,0]=4 1093 B9R1.45 CC1CC1C(=O)N(C)C WXVL_AN0032SB0041 [0,1,0,1,0,0|2,0,0]=4 1094 B9R1.45 CC1CC1C(=O)N(C)C WXVL_AN0032SB0041 [0,1,0,1,0,0|2,0,0]=4 1095 B9R1.110 CN(C)C(=O)C1CCC1 WXVL_AN0032SB0042 [0,1,0,1,0,0|2,0,0]=4 1096 B9R1.110 CN(C)C(=O)C1CCC1 WXVL_AN0032SB0042 [0,1,0,1,0,0|2,0,0]=4 1097 B9R1.112 CC(=O)C(=O)NC1CC1 WXVL_AK0001SB0051 [0,1,0,1,0,0|1,0,1]=4 1098 B9R1.112 CC(=O)C(=O)NC1CC1 WXVL_AK0001SB0051 [0,1,0,1,0,0|1,0,1]=4 1099 B9R1.112 CC(C)C(=O)NC1CC1 WXVL_AK0001SB0052 [0,1,0,1,0,0|1,0,0]=3 1100 B9R1.112 CC(C)C(=O)NC1CC1 WXVL_AK0001SB0052 [0,1,0,1,0,0|1,0,0]=3 1101 B9R1.112 CC(S)C(=O)NC1CC1 WXVL_AK0001SB2708 [0,1,0,1,0,0|1,0,0]=3 1102 B9R1.112 CC(S)C(=O)NC1CC1 WXVL_AK0001SB2708 [0,1,0,1,0,0|1,0,0]=3 1103 B9R1.112 CN(C)C(=O)CC1CC1 WXVL_AN0032SB0155 [0,1,0,1,0,0|2,0,0]=4 1104 B9R1.112 CN(C)C(=O)CC1CC1 WXVL_AN0032SB0155 [0,1,0,1,0,0|2,0,0]=4 1105 B9R1.112 C[C@@H](O)C(=O)NC1CC1 WXVL_AK0001SB1085 [0,1,0,1,0,0|1,0,0]=3 1106 B9R1.112 C[C@@H](O)C(=O)NC1CC1 WXVL_AK0001SB1085 [0,1,0,1,0,0|1,0,0]=3 1107 B9R1.112 O=C(NC1CC1)C(F)F WXVL_AK0001SB0079 [0,1,0,1,0,0|2,0,0]=4 1108 B9R1.112 O=C(NC1CC1)C(F)F WXVL_AK0001SB0079 [0,1,0,1,0,0|2,0,0]=4 1109 B9R1.185 CNC(=O)C1CC1(C)C WXVL_AK00442SB0012 [0,1,0,1,0,0|2,0,0]=4 1110 B9R1.185 CNC(=O)C1CC1(C)C WXVL_AK00442SB0012 [0,1,0,1,0,0|2,0,0]=4 1111 B9R1.113 CC1(CC1)NC(=O)CO WXVL_AK0263SB2706 [0,1,0,1,0,0|2,0,0]=4 1112 B9R1.113 CC1(CC1)NC(=O)CO WXVL_AK0263SB2706 [0,1,0,1,0,0|2,0,0]=4 1113 B9R1.113 CCC(=O)NC1(CC1)C WXVL_AK0263SB0064 [0,1,0,1,0,0|1,0,0]=3 1114 B9R1.113 CCC(=O)NC1(CC1)C WXVL_AK0263SB0064 [0,1,0,1,0,0|1,0,0]=3 1115 B9R1.64 CCS(=O)(=O)NC1CC1 WXVL_AK0001HU0028 [0,1,0,1,0,0|2,0,0]=4 1116 B9R1.64 CCS(=O)(=O)NC1CC1 WXVL_AK0001HU0028 [0,1,0,1,0,0|2,0,0]=4