0 B9R0.35 C/C=C/C(=O)N(C)CCO WXVL_AN2670SB0340 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.35 C/C=C/C(=O)N(C)CCO WXVL_AN2670SB0340 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.35 CC#CC(=O)N(C)CCO WXVL_AN2670SB1240 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.35 CC#CC(=O)N(C)CCO WXVL_AN2670SB1240 [0,0,0,0,0,0|3,0,1]=4 4 B9R0.35 CC/C=C(\C)/C(=O)NCC WXVL_AK00476SB0037 [0,0,0,0,0,0|1,0,2]=3 5 B9R0.35 CC/C=C(\C)/C(=O)NCC WXVL_AK00476SB0037 [0,0,0,0,0,0|1,0,2]=3 6 B9R0.35 CCCC(=O)N(C)CC#N WXVL_AN2942SB0073 [0,0,0,0,0,0|3,0,1]=4 7 B9R0.35 CCCC(=O)N(C)CC#N WXVL_AN2942SB0073 [0,0,0,0,0,0|3,0,1]=4 8 B9R0.35 CCCC(=O)N(C)CCO WXVL_AN2670SB0073 [0,0,0,0,0,0|3,0,0]=3 9 B9R0.35 CCCC(=O)N(C)CCO WXVL_AN2670SB0073 [0,0,0,0,0,0|3,0,0]=3 10 B9R0.35 CCCC(C)C(=O)NCC WXVL_AK00476SB0352 [0,0,0,0,0,0|1,0,0]=1 11 B9R0.35 CCCC(C)C(=O)NCC WXVL_AK00476SB0352 [0,0,0,0,0,0|1,0,0]=1 12 B9R0.35 CCC[C@H](O)C(=O)NCC WXVL_AK00476SB3627 [0,0,0,0,0,0|2,0,0]=2 13 B9R0.35 CCC[C@H](O)C(=O)NCC WXVL_AK00476SB3627 [0,0,0,0,0,0|2,0,0]=2 14 B9R0.35 CCNC(=O)C(=O)OCC WXVL_AK00476SB4144 [0,0,0,0,0,0|2,0,1]=3 15 B9R0.35 CCNC(=O)C(=O)OCC WXVL_AK00476SB4144 [0,0,0,0,0,0|2,0,1]=3 16 B9R0.35 CCNC(=O)[C@H](C)NC=O WXVL_AK00476SB5176 [0,0,0,0,0,0|3,0,1]=4 17 B9R0.35 CCNC(=O)[C@H](C)NC=O WXVL_AK00476SB5176 [0,0,0,0,0,0|3,0,1]=4 18 B9R0.35 COCC(=O)N(C)CCO WXVL_AN2670SB0090 [0,0,0,0,0,0|4,0,0]=4 19 B9R0.35 COCC(=O)N(C)CCO WXVL_AN2670SB0090 [0,0,0,0,0,0|4,0,0]=4 20 B9R0.35 CSCC(=O)N(C)CCO WXVL_AN2670SB1267 [0,0,0,0,0,0|4,0,0]=4 21 B9R0.35 CSCC(=O)N(C)CCO WXVL_AN2670SB1267 [0,0,0,0,0,0|4,0,0]=4 22 B8R0.1 C#CCCC(=O)NCC WXVL_AK00476SB2189 [1,0,0,0,0,0|1,0,2]=4 23 B8R0.1 C#CCCC(=O)NCC WXVL_AK00476SB2189 [1,0,0,0,0,0|1,0,2]=4 24 B8R0.1 C/C=C/C(=O)NCCC WXVL_AK00504SB0340 [1,0,0,0,0,0|2,0,1]=4 25 B8R0.1 C/C=C/C(=O)NCCC WXVL_AK00504SB0340 [1,0,0,0,0,0|2,0,1]=4 26 B8R0.1 C=CCCC(=O)NCC WXVL_AK00476SB1035 [1,0,0,0,0,0|1,0,2]=4 27 B8R0.1 C=CCCC(=O)NCC WXVL_AK00476SB1035 [1,0,0,0,0,0|1,0,2]=4 28 B8R0.1 CC#CC(=O)NCCC WXVL_AK00504SB1240 [1,0,0,0,0,0|2,0,1]=4 29 B8R0.1 CC#CC(=O)NCCC WXVL_AK00504SB1240 [1,0,0,0,0,0|2,0,1]=4 30 B8R0.1 CCCC(=O)NCCF WXVL_AK00466SB0073 [1,0,0,0,0,0|3,0,0]=4 31 B8R0.1 CCCC(=O)NCCF WXVL_AK00466SB0073 [1,0,0,0,0,0|3,0,0]=4 32 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [1,0,0,0,0,0|2,0,0]=3 33 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [1,0,0,0,0,0|2,0,0]=3 34 B8R0.1 CCCNC(=O)COC WXVL_AK00504SB0090 [1,0,0,0,0,0|3,0,0]=4 35 B8R0.1 CCCNC(=O)COC WXVL_AK00504SB0090 [1,0,0,0,0,0|3,0,0]=4 36 B8R0.1 CCCNC(=O)CSC WXVL_AK00504SB1267 [1,0,0,0,0,0|3,0,0]=4 37 B8R0.1 CCCNC(=O)CSC WXVL_AK00504SB1267 [1,0,0,0,0,0|3,0,0]=4 38 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [1,0,0,0,0,0|2,0,0]=3 39 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [1,0,0,0,0,0|2,0,0]=3 40 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [1,0,0,0,0,0|2,0,0]=3 41 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [1,0,0,0,0,0|2,0,0]=3 42 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [1,0,0,0,0,0|2,0,0]=3 43 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [1,0,0,0,0,0|2,0,0]=3 44 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [1,0,0,0,0,0|2,0,0]=3 45 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [1,0,0,0,0,0|2,0,0]=3 46 B8R0.1 CCNC(=O)NCCCl WXVL_AK00476YV0092 [1,0,0,0,0,0|3,0,0]=4 47 B8R0.1 CCNC(=O)NCCCl WXVL_AK00476YV0092 [1,0,0,0,0,0|3,0,0]=4 48 B8R0.3 C/C=C(\C)/C(=O)NCC WXVL_AK00476SB0343 [1,0,0,0,0,0|1,0,2]=4 49 B8R0.3 C/C=C(\C)/C(=O)NCC WXVL_AK00476SB0343 [1,0,0,0,0,0|1,0,2]=4 50 B8R0.3 CC/C=C(\C)/C(=O)NC WXVL_AK00442SB0037 [1,0,0,0,0,0|1,0,2]=4 51 B8R0.3 CC/C=C(\C)/C(=O)NC WXVL_AK00442SB0037 [1,0,0,0,0,0|1,0,2]=4 52 B8R0.3 CCC(=O)N(C)CC#N WXVL_AN2942SB0064 [1,0,0,0,0,0|2,0,1]=4 53 B8R0.3 CCC(=O)N(C)CC#N WXVL_AN2942SB0064 [1,0,0,0,0,0|2,0,1]=4 54 B8R0.3 CCC(=O)N(C)CCO WXVL_AN2670SB0064 [1,0,0,0,0,0|2,0,0]=3 55 B8R0.3 CCC(=O)N(C)CCO WXVL_AN2670SB0064 [1,0,0,0,0,0|2,0,0]=3 56 B8R0.3 CCCC(C)C(=O)NC WXVL_AK00442SB0352 [1,0,0,0,0,0|1,0,0]=2 57 B8R0.3 CCCC(C)C(=O)NC WXVL_AK00442SB0352 [1,0,0,0,0,0|1,0,0]=2 58 B8R0.3 CCC[C@H](O)C(=O)NC WXVL_AK00442SB3627 [1,0,0,0,0,0|2,0,0]=3 59 B8R0.3 CCC[C@H](O)C(=O)NC WXVL_AK00442SB3627 [1,0,0,0,0,0|2,0,0]=3 60 B8R0.3 CCNC(=O)C(=O)CC WXVL_AK00476SB0344 [1,0,0,0,0,0|2,0,1]=4 61 B8R0.3 CCNC(=O)C(=O)CC WXVL_AK00476SB0344 [1,0,0,0,0,0|2,0,1]=4 62 B8R0.3 CCNC(=O)C(C)CC WXVL_AK00476SB0054 [1,0,0,0,0,0|1,0,0]=2 63 B8R0.3 CCNC(=O)C(C)CC WXVL_AK00476SB0054 [1,0,0,0,0,0|1,0,0]=2 64 B8R0.3 CCNC(=O)[C@@H](C)OC WXVL_AK00476SB2926 [1,0,0,0,0,0|2,0,0]=3 65 B8R0.3 CCNC(=O)[C@@H](C)OC WXVL_AK00476SB2926 [1,0,0,0,0,0|2,0,0]=3 66 B8R0.3 CCNC(=O)[C@@H](O)CC WXVL_AK00476SB3573 [1,0,0,0,0,0|2,0,0]=3 67 B8R0.3 CCNC(=O)[C@@H](O)CC WXVL_AK00476SB3573 [1,0,0,0,0,0|2,0,0]=3 68 B8R0.3 CCNC(=O)[C@H](C)CC WXVL_AK00476SB00054 [1,0,0,0,0,0|1,0,0]=2 69 B8R0.3 CCNC(=O)[C@H](C)CC WXVL_AK00476SB00054 [1,0,0,0,0,0|1,0,0]=2 70 B8R0.3 CCOC(=O)C(=O)NC WXVL_AK00442SB4144 [1,0,0,0,0,0|2,0,1]=4 71 B8R0.3 CCOC(=O)C(=O)NC WXVL_AK00442SB4144 [1,0,0,0,0,0|2,0,1]=4 72 B8R0.3 CN(CCO)C(=O)CO WXVL_AN2670SB2706 [1,0,0,0,0,0|3,0,0]=4 73 B8R0.3 CN(CCO)C(=O)CO WXVL_AN2670SB2706 [1,0,0,0,0,0|3,0,0]=4 74 B10R0.19 C/C=C/C(=O)N(C)CCOC WXVL_AN0085SB0340 [0,1,0,0,0,0|2,0,1]=4 75 B10R0.19 C/C=C/C(=O)N(C)CCOC WXVL_AN0085SB0340 [0,1,0,0,0,0|2,0,1]=4 76 B10R0.19 C=CCNC(=O)C(C)CCC WXVL_AK00561SB0352 [0,1,0,0,0,0|1,0,1]=3 77 B10R0.19 C=CCNC(=O)C(C)CCC WXVL_AK00561SB0352 [0,1,0,0,0,0|1,0,1]=3 78 B10R0.19 C=CCNC(=O)[C@@H](O)CCC WXVL_AK00561SB3627 [0,1,0,0,0,0|2,0,1]=4 79 B10R0.19 C=CCNC(=O)[C@@H](O)CCC WXVL_AK00561SB3627 [0,1,0,0,0,0|2,0,1]=4 80 B10R0.19 C=CCOC(C)C(=O)NCC WXVL_AK00476SBD933 [0,1,0,0,0,0|1,0,2]=4 81 B10R0.19 C=CCOC(C)C(=O)NCC WXVL_AK00476SBD933 [0,1,0,0,0,0|1,0,2]=4 82 B10R0.19 CC#CC(=O)N(C)CCOC WXVL_AN0085SB1240 [0,1,0,0,0,0|2,0,1]=4 83 B10R0.19 CC#CC(=O)N(C)CCOC WXVL_AN0085SB1240 [0,1,0,0,0,0|2,0,1]=4 84 B10R0.19 CC/C=C(\C)/C(=O)NCCC WXVL_AK00504SB0037 [0,1,0,0,0,0|1,0,2]=4 85 B10R0.19 CC/C=C(\C)/C(=O)NCCC WXVL_AK00504SB0037 [0,1,0,0,0,0|1,0,2]=4 86 B10R0.19 CC/C=C(\C)/C(=O)NCCF WXVL_AK00466SB0037 [0,1,0,0,0,0|1,0,2]=4 87 B10R0.19 CC/C=C(\C)/C(=O)NCCF WXVL_AK00466SB0037 [0,1,0,0,0,0|1,0,2]=4 88 B10R0.19 CCCC(=O)N(C)CCOC WXVL_AN0085SB0073 [0,1,0,0,0,0|2,0,0]=3 89 B10R0.19 CCCC(=O)N(C)CCOC WXVL_AN0085SB0073 [0,1,0,0,0,0|2,0,0]=3 90 B10R0.19 CCCC(C)C(=O)NCC#N WXVL_AK0683SB0352 [0,1,0,0,0,0|1,0,1]=3 91 B10R0.19 CCCC(C)C(=O)NCC#N WXVL_AK0683SB0352 [0,1,0,0,0,0|1,0,1]=3 92 B10R0.19 CCCC(C)C(=O)NCCF WXVL_AK00466SB0352 [0,1,0,0,0,0|1,0,0]=2 93 B10R0.19 CCCC(C)C(=O)NCCF WXVL_AK00466SB0352 [0,1,0,0,0,0|1,0,0]=2 94 B10R0.19 CCCCC(O)C(=O)NCC WXVL_AK00476SB3429 [0,1,0,0,0,0|2,0,0]=3 95 B10R0.19 CCCCC(O)C(=O)NCC WXVL_AK00476SB3429 [0,1,0,0,0,0|2,0,0]=3 96 B10R0.19 CCCNC(=O)C(=O)OCC WXVL_AK00504SB4144 [0,1,0,0,0,0|1,0,1]=3 97 B10R0.19 CCCNC(=O)C(=O)OCC WXVL_AK00504SB4144 [0,1,0,0,0,0|1,0,1]=3 98 B10R0.19 CCCNC(=O)C(C)CCC WXVL_AK00504SB0352 [0,1,0,0,0,0|1,0,0]=2 99 B10R0.19 CCCNC(=O)C(C)CCC WXVL_AK00504SB0352 [0,1,0,0,0,0|1,0,0]=2 100 B10R0.19 CCCNC(=O)[C@@H](O)CCC WXVL_AK00504SB3627 [0,1,0,0,0,0|2,0,0]=3 101 B10R0.19 CCCNC(=O)[C@@H](O)CCC WXVL_AK00504SB3627 [0,1,0,0,0,0|2,0,0]=3 102 B10R0.19 CCC[C@H](O)C(=O)NCC#N WXVL_AK0683SB3627 [0,1,0,0,0,0|2,0,1]=4 103 B10R0.19 CCC[C@H](O)C(=O)NCC#N WXVL_AK0683SB3627 [0,1,0,0,0,0|2,0,1]=4 104 B10R0.19 CCC[C@H](O)C(=O)NCCF WXVL_AK00466SB3627 [0,1,0,0,0,0|2,0,0]=3 105 B10R0.19 CCC[C@H](O)C(=O)NCCF WXVL_AK00466SB3627 [0,1,0,0,0,0|2,0,0]=3 106 B10R0.19 CCOC(=O)C(=O)NCCF WXVL_AK00466SB4144 [0,1,0,0,0,0|2,0,1]=4 107 B10R0.19 CCOC(=O)C(=O)NCCF WXVL_AK00466SB4144 [0,1,0,0,0,0|2,0,1]=4 108 B10R0.19 CCOCC(=O)N(C)CC#N WXVL_AN2942SB0091 [0,1,0,0,0,0|2,0,1]=4 109 B10R0.19 CCOCC(=O)N(C)CC#N WXVL_AN2942SB0091 [0,1,0,0,0,0|2,0,1]=4 110 B10R0.19 CCOCC(=O)N(C)CCO WXVL_AN2670SB0091 [0,1,0,0,0,0|2,0,0]=3 111 B10R0.19 CCOCC(=O)N(C)CCO WXVL_AN2670SB0091 [0,1,0,0,0,0|2,0,0]=3 112 B10R0.19 CCSCC(=O)N(C)CCO WXVL_AN2670SB0002 [0,1,0,0,0,0|2,1,0]=4 113 B10R0.19 CCSCC(=O)N(C)CCO WXVL_AN2670SB0002 [0,1,0,0,0,0|2,1,0]=4 114 B10R0.19 CN(CCO)C(=O)NCCCl WXVL_AN2670YV0092 [0,1,0,0,0,0|3,0,0]=4 115 B10R0.19 CN(CCO)C(=O)NCCCl WXVL_AN2670YV0092 [0,1,0,0,0,0|3,0,0]=4 116 B10R0.19 COCCC(=O)N(C)CCO WXVL_AN2670SB0156 [0,1,0,0,0,0|3,0,0]=4 117 B10R0.19 COCCC(=O)N(C)CCO WXVL_AN2670SB0156 [0,1,0,0,0,0|3,0,0]=4 118 B10R0.19 COCCN(C)C(=O)COC WXVL_AN0085SB0090 [0,1,0,0,0,0|3,0,0]=4 119 B10R0.19 COCCN(C)C(=O)COC WXVL_AN0085SB0090 [0,1,0,0,0,0|3,0,0]=4 120 B10R0.19 COCCN(C)C(=O)CSC WXVL_AN0085SB1267 [0,1,0,0,0,0|3,0,0]=4 121 B10R0.19 COCCN(C)C(=O)CSC WXVL_AN0085SB1267 [0,1,0,0,0,0|3,0,0]=4 122 B10R0.19 CSCCC(=O)N(C)CCO WXVL_AN2670SB0361 [0,1,0,0,0,0|3,0,0]=4 123 B10R0.19 CSCCC(=O)N(C)CCO WXVL_AN2670SB0361 [0,1,0,0,0,0|3,0,0]=4 124 B10R0.32 CC(C)CC(=O)N(C)CCO WXVL_AN2670SB0063 [0,1,0,0,0,0|3,0,0]=4 125 B10R0.32 CC(C)CC(=O)N(C)CCO WXVL_AN2670SB0063 [0,1,0,0,0,0|3,0,0]=4 126 B10R0.32 CC(O)CC(=O)N(C)CCO WXVL_AN2670SB3643 [0,1,0,0,0,0|3,0,0]=4 127 B10R0.32 CC(O)CC(=O)N(C)CCO WXVL_AN2670SB3643 [0,1,0,0,0,0|3,0,0]=4 128 B10R0.32 CC/C=C(\C)/C(=O)NC(C)C WXVL_AK0030SB0037 [0,1,0,0,0,0|1,0,2]=4 129 B10R0.32 CC/C=C(\C)/C(=O)NC(C)C WXVL_AK0030SB0037 [0,1,0,0,0,0|1,0,2]=4 130 B10R0.32 CCCC(C)C(=O)NC(C)C WXVL_AK0030SB0352 [0,1,0,0,0,0|1,0,0]=2 131 B10R0.32 CCCC(C)C(=O)NC(C)C WXVL_AK0030SB0352 [0,1,0,0,0,0|1,0,0]=2 132 B10R0.32 CCC[C@H](O)C(=O)NC(C)C WXVL_AK0030SB3627 [0,1,0,0,0,0|2,0,0]=3 133 B10R0.32 CCC[C@H](O)C(=O)NC(C)C WXVL_AK0030SB3627 [0,1,0,0,0,0|2,0,0]=3 134 B10R0.32 CCNC(=O)C(C)NC(=O)C WXVL_AK00476SB0373 [0,1,0,0,0,0|2,0,1]=4 135 B10R0.32 CCNC(=O)C(C)NC(=O)C WXVL_AK00476SB0373 [0,1,0,0,0,0|2,0,1]=4 136 B10R0.32 CCNC(=O)C(O)CC(C)C WXVL_AK00476SB4281 [0,1,0,0,0,0|2,0,0]=3 137 B10R0.32 CCNC(=O)C(O)CC(C)C WXVL_AK00476SB4281 [0,1,0,0,0,0|2,0,0]=3 138 B10R0.32 CCOC(=O)C(=O)NC(C)C WXVL_AK0030SB4144 [0,1,0,0,0,0|2,0,1]=4 139 B10R0.32 CCOC(=O)C(=O)NC(C)C WXVL_AK0030SB4144 [0,1,0,0,0,0|2,0,1]=4 140 B10R0.32 CCOC(=O)[C@H](C)NC(=O)C WXVL_AK1648SB0150 [0,1,0,0,0,0|1,0,1]=3 141 B10R0.32 CCOC(=O)[C@H](C)NC(=O)C WXVL_AK1648SB0150 [0,1,0,0,0,0|1,0,1]=3 142 B10R0.33 CCCC(=O)N(CC)CCO WXVL_AN3174SB0073 [0,1,0,0,0,0|3,0,0]=4 143 B10R0.35 CCC(=O)C(=O)N(C)CCO WXVL_AN2670SB0344 [0,1,0,0,0,0|3,0,0]=4 144 B10R0.35 CCC(=O)C(=O)N(C)CCO WXVL_AN2670SB0344 [0,1,0,0,0,0|3,0,0]=4 145 B10R0.35 CCC(C)C(=O)N(C)CCO WXVL_AN2670SB0054 [0,1,0,0,0,0|3,0,0]=4 146 B10R0.35 CCC(C)C(=O)N(C)CCO WXVL_AN2670SB0054 [0,1,0,0,0,0|3,0,0]=4 147 B10R0.35 CCNC(=O)C(C)C(=O)OC WXVL_AK00476SB5708 [0,1,0,0,0,0|2,0,1]=4 148 B10R0.35 CCNC(=O)C(C)C(=O)OC WXVL_AK00476SB5708 [0,1,0,0,0,0|2,0,1]=4 149 B10R0.35 CC[C@@H](C)C(=O)N(C)CCO WXVL_AN2670SB00054 [0,1,0,0,0,0|3,0,0]=4 150 B10R0.35 CC[C@@H](C)C(=O)N(C)CCO WXVL_AN2670SB00054 [0,1,0,0,0,0|3,0,0]=4 151 B10R0.35 CC[C@H](O)C(=O)N(C)CCO WXVL_AN2670SB3573 [0,1,0,0,0,0|3,0,0]=4 152 B10R0.35 CC[C@H](O)C(=O)N(C)CCO WXVL_AN2670SB3573 [0,1,0,0,0,0|3,0,0]=4 153 B10R0.129 C=CCC(C)(C)C(=O)NCC WXVL_AK00476SB0363 [0,1,0,0,0,0|1,0,2]=4 154 B10R0.129 C=CCC(C)(C)C(=O)NCC WXVL_AK00476SB0363 [0,1,0,0,0,0|1,0,2]=4 155 B10R0.129 CCCC(C)(C)C(=O)NCC WXVL_AK00476SB0372 [0,1,0,0,0,0|1,0,0]=2 156 B10R0.129 CCCC(C)(C)C(=O)NCC WXVL_AK00476SB0372 [0,1,0,0,0,0|1,0,0]=2 157 B10R0.129 CCNC(=O)C(C)(C)CSC WXVL_AK00476SBF473 [0,1,0,0,0,0|2,0,0]=3 158 B10R0.129 CCNC(=O)C(C)(C)CSC WXVL_AK00476SBF473 [0,1,0,0,0,0|2,0,0]=3 159 B10R1.11 C/C=C/C(=O)N1CCCC1 WXVL_AN0008SB0340 [0,0,0,1,0,0|2,0,1]=4 160 B10R1.11 C/C=C/C(=O)N1CCCC1 WXVL_AN0008SB0340 [0,0,0,1,0,0|2,0,1]=4 161 B10R1.11 CC#CC(=O)N1CCCC1 WXVL_AN0008SB1240 [0,0,0,1,0,0|2,0,1]=4 162 B10R1.11 CC#CC(=O)N1CCCC1 WXVL_AN0008SB1240 [0,0,0,1,0,0|2,0,1]=4 163 B10R1.11 CCCC(=O)N1CCCC1 WXVL_AN0008SB0073 [0,0,0,1,0,0|2,0,0]=3 164 B10R1.11 CCCC(=O)N1CCCC1 WXVL_AN0008SB0073 [0,0,0,1,0,0|2,0,0]=3 165 B10R1.11 CCNC(=O)C1CCCC1 WXVL_AK00476SB0043 [0,0,0,1,0,0|1,0,0]=2 166 B10R1.11 CCNC(=O)C1CCCC1 WXVL_AK00476SB0043 [0,0,0,1,0,0|1,0,0]=2 167 B10R1.11 CCNC(=O)C1CCCO1 WXVL_AK00476SB1033 [0,0,0,1,0,0|2,0,0]=3 168 B10R1.11 CCNC(=O)C1CCCO1 WXVL_AK00476SB1033 [0,0,0,1,0,0|2,0,0]=3 169 B10R1.11 CCNC(=O)C1CCCS1 WXVL_AK00476SB0022 [0,0,0,1,0,0|2,0,0]=3 170 B10R1.11 CCNC(=O)C1CCCS1 WXVL_AK00476SB0022 [0,0,0,1,0,0|2,0,0]=3 171 B10R1.11 CCNC(=O)[C@H]1CCCO1 WXVL_AK00476SB00043 [0,0,0,1,0,0|2,0,0]=3 172 B10R1.11 CCNC(=O)[C@H]1CCCO1 WXVL_AK00476SB00043 [0,0,0,1,0,0|2,0,0]=3 173 B10R1.11 COCC(=O)N1CCCC1 WXVL_AN0008SB0090 [0,0,0,1,0,0|3,0,0]=4 174 B10R1.11 COCC(=O)N1CCCC1 WXVL_AN0008SB0090 [0,0,0,1,0,0|3,0,0]=4 175 B10R1.11 CSCC(=O)N1CCCC1 WXVL_AN0008SB1267 [0,0,0,1,0,0|3,0,0]=4 176 B10R1.11 CSCC(=O)N1CCCC1 WXVL_AN0008SB1267 [0,0,0,1,0,0|3,0,0]=4 177 B10R1.140 C/C=C/C(=O)N1CC(C1)C WXVL_AN0291SB0340 [0,0,0,1,0,0|2,0,1]=4 178 B10R1.140 C/C=C/C(=O)N1CC(C1)C WXVL_AN0291SB0340 [0,0,0,1,0,0|2,0,1]=4 179 B10R1.140 C=C1CC(C1)C(=O)NCC WXVL_AK00476SB0804 [0,0,0,1,0,0|1,0,2]=4 180 B10R1.140 C=C1CC(C1)C(=O)NCC WXVL_AK00476SB0804 [0,0,0,1,0,0|1,0,2]=4 181 B10R1.140 CC#CC(=O)N1CC(C1)C WXVL_AN0291SB1240 [0,0,0,1,0,0|2,0,1]=4 182 B10R1.140 CC#CC(=O)N1CC(C1)C WXVL_AN0291SB1240 [0,0,0,1,0,0|2,0,1]=4 183 B10R1.140 CCCC(=O)N1CC(C1)C WXVL_AN0291SB0073 [0,0,0,1,0,0|2,0,0]=3 184 B10R1.140 CCCC(=O)N1CC(C1)C WXVL_AN0291SB0073 [0,0,0,1,0,0|2,0,0]=3 185 B10R1.140 CCCC(=O)N1CC(C1)O WXVL_AN0284SB0073 [0,0,0,1,0,0|3,0,0]=4 186 B10R1.140 CCCC(=O)N1CC(C1)O WXVL_AN0284SB0073 [0,0,0,1,0,0|3,0,0]=4 187 B10R1.140 CCNC(=O)C1CN(C1)C WXVL_AK00476SB0021 [0,0,0,1,0,0|2,0,0]=3 188 B10R1.140 CCNC(=O)C1CN(C1)C WXVL_AK00476SB0021 [0,0,0,1,0,0|2,0,0]=3 189 B10R1.140 CCNC(=O)[C@H]1C[C@@H](C1)O WXVL_AK00476SB3648 [0,0,0,1,0,0|2,0,0]=3 190 B10R1.140 CCNC(=O)[C@H]1C[C@@H](C1)O WXVL_AK00476SB3648 [0,0,0,1,0,0|2,0,0]=3 191 B10R1.140 CCNC(=O)[C@H]1C[C@H](C1)O WXVL_AK00476SB0837 [0,0,0,1,0,0|2,0,0]=3 192 B10R1.140 CCNC(=O)[C@H]1C[C@H](C1)O WXVL_AK00476SB0837 [0,0,0,1,0,0|2,0,0]=3 193 B10R1.140 COCC(=O)N1CC(C1)C WXVL_AN0291SB0090 [0,0,0,1,0,0|3,0,0]=4 194 B10R1.140 COCC(=O)N1CC(C1)C WXVL_AN0291SB0090 [0,0,0,1,0,0|3,0,0]=4 195 B10R1.140 CSCC(=O)N1CC(C1)C WXVL_AN0291SB1267 [0,0,0,1,0,0|3,0,0]=4 196 B10R1.140 CSCC(=O)N1CC(C1)C WXVL_AN0291SB1267 [0,0,0,1,0,0|3,0,0]=4 197 B10R1.212 C/C=C/C(=O)N(C)C1CC1 WXVL_AN0276SB0340 [0,0,0,1,0,0|2,0,1]=4 198 B10R1.212 C/C=C/C(=O)N(C)C1CC1 WXVL_AN0276SB0340 [0,0,0,1,0,0|2,0,1]=4 199 B10R1.212 CC#CC(=O)N(C)C1CC1 WXVL_AN0276SB1240 [0,0,0,1,0,0|2,0,1]=4 200 B10R1.212 CC#CC(=O)N(C)C1CC1 WXVL_AN0276SB1240 [0,0,0,1,0,0|2,0,1]=4 201 B10R1.212 CCCC(=O)N(C)C1CC1 WXVL_AN0276SB0073 [0,0,0,1,0,0|2,0,0]=3 202 B10R1.212 CCCC(=O)N(C)C1CC1 WXVL_AN0276SB0073 [0,0,0,1,0,0|2,0,0]=3 203 B10R1.212 CCNC(=O)C(=O)C1CC1 WXVL_AK00476SB3659 [0,0,0,1,0,0|2,0,1]=4 204 B10R1.212 CCNC(=O)C(=O)C1CC1 WXVL_AK00476SB3659 [0,0,0,1,0,0|2,0,1]=4 205 B10R1.212 CN(CCO)C(=O)C1CC1 WXVL_AN2670SB0038 [0,0,0,1,0,0|3,0,0]=4 206 B10R1.212 CN(CCO)C(=O)C1CC1 WXVL_AN2670SB0038 [0,0,0,1,0,0|3,0,0]=4 207 B10R1.212 COCC(=O)N(C)C1CC1 WXVL_AN0276SB0090 [0,0,0,1,0,0|3,0,0]=4 208 B10R1.212 COCC(=O)N(C)C1CC1 WXVL_AN0276SB0090 [0,0,0,1,0,0|3,0,0]=4 209 B10R1.212 CSCC(=O)N(C)C1CC1 WXVL_AN0276SB1267 [0,0,0,1,0,0|3,0,0]=4 210 B10R1.212 CSCC(=O)N(C)C1CC1 WXVL_AN0276SB1267 [0,0,0,1,0,0|3,0,0]=4 211 B10R1.401 CCNC(=O)C1(CCC1)Br WXVL_AK00476SB0465 [0,0,0,1,0,0|2,0,0]=3 212 B10R1.401 CCNC(=O)C1(CCC1)Br WXVL_AK00476SB0465 [0,0,0,1,0,0|2,0,0]=3 213 B10R1.401 CCNC(=O)C1(CCC1)C WXVL_AK00476SB0805 [0,0,0,1,0,0|1,0,0]=2 214 B10R1.401 CCNC(=O)C1(CCC1)C WXVL_AK00476SB0805 [0,0,0,1,0,0|1,0,0]=2 215 B10R1.401 CCNC(=O)C1(CCC1)F WXVL_AK00476SB0033 [0,0,0,1,0,0|2,0,0]=3 216 B10R1.401 CCNC(=O)C1(CCC1)F WXVL_AK00476SB0033 [0,0,0,1,0,0|2,0,0]=3 217 B10R1.401 CCNC(=O)C1(COC1)C WXVL_AK00476SB0214 [0,0,0,1,0,0|2,0,0]=3 218 B10R1.401 CCNC(=O)C1(COC1)C WXVL_AK00476SB0214 [0,0,0,1,0,0|2,0,0]=3 219 B10R0.2 C#CCC(=O)N[C@@H](C)CCC WXVL_AK00682SB3070 [0,0,0,0,0,1|1,0,2]=4 220 B10R0.2 C#CCC(=O)N[C@@H](C)CCC WXVL_AK00682SB3070 [0,0,0,0,0,1|1,0,2]=4 221 B10R0.2 C/C=C/C(=O)NC(C)CCO WXVL_AK1288SB0340 [0,0,0,0,0,1|2,0,1]=4 222 B10R0.2 C/C=C/C(=O)NC(C)CCO WXVL_AK1288SB0340 [0,0,0,0,0,1|2,0,1]=4 223 B10R0.2 C/C=C/C(=O)N[C@@H](C)CCC WXVL_AK00682SB0340 [0,0,0,0,0,1|1,0,1]=3 224 B10R0.2 C/C=C/C(=O)N[C@@H](C)CCC WXVL_AK00682SB0340 [0,0,0,0,0,1|1,0,1]=3 225 B10R0.2 C/C=C/C(=O)N[C@@H](C)COC WXVL_AK0137SB0340 [0,0,0,0,0,1|2,0,1]=4 226 B10R0.2 C/C=C/C(=O)N[C@@H](C)COC WXVL_AK0137SB0340 [0,0,0,0,0,1|2,0,1]=4 227 B10R0.2 C/C=C/C(=O)N[C@H](C)COC WXVL_AK00613SB0340 [0,0,0,0,0,1|2,0,1]=4 228 B10R0.2 C/C=C/C(=O)N[C@H](C)COC WXVL_AK00613SB0340 [0,0,0,0,0,1|2,0,1]=4 229 B10R0.2 C=CCC(=O)N[C@@H](C)CCC WXVL_AK00682SB2732 [0,0,0,0,0,1|1,0,2]=4 230 B10R0.2 C=CCC(=O)N[C@@H](C)CCC WXVL_AK00682SB2732 [0,0,0,0,0,1|1,0,2]=4 231 B10R0.2 CC#CC(=O)NC(C)CCO WXVL_AK1288SB1240 [0,0,0,0,0,1|2,0,1]=4 232 B10R0.2 CC#CC(=O)NC(C)CCO WXVL_AK1288SB1240 [0,0,0,0,0,1|2,0,1]=4 233 B10R0.2 CC#CC(=O)N[C@@H](C)CCC WXVL_AK00682SB1240 [0,0,0,0,0,1|1,0,1]=3 234 B10R0.2 CC#CC(=O)N[C@@H](C)CCC WXVL_AK00682SB1240 [0,0,0,0,0,1|1,0,1]=3 235 B10R0.2 CC#CC(=O)N[C@@H](C)COC WXVL_AK0137SB1240 [0,0,0,0,0,1|2,0,1]=4 236 B10R0.2 CC#CC(=O)N[C@@H](C)COC WXVL_AK0137SB1240 [0,0,0,0,0,1|2,0,1]=4 237 B10R0.2 CC#CC(=O)N[C@H](C)COC WXVL_AK00613SB1240 [0,0,0,0,0,1|2,0,1]=4 238 B10R0.2 CC#CC(=O)N[C@H](C)COC WXVL_AK00613SB1240 [0,0,0,0,0,1|2,0,1]=4 239 B10R0.2 CCCC(=O)NC(C)CCO WXVL_AK1288SB0073 [0,0,0,0,0,1|2,0,0]=3 240 B10R0.2 CCCC(=O)NC(C)CCO WXVL_AK1288SB0073 [0,0,0,0,0,1|2,0,0]=3 241 B10R0.2 CCCC(=O)N[C@@H](C)CC#N WXVL_AK00595SB0073 [0,0,0,0,0,1|2,0,1]=4 242 B10R0.2 CCCC(=O)N[C@@H](C)CC#N WXVL_AK00595SB0073 [0,0,0,0,0,1|2,0,1]=4 243 B10R0.2 CCCC(=O)N[C@@H](C)CCC WXVL_AK00682SB0073 [0,0,0,0,0,1|1,0,0]=2 244 B10R0.2 CCCC(=O)N[C@@H](C)CCC WXVL_AK00682SB0073 [0,0,0,0,0,1|1,0,0]=2 245 B10R0.2 CCCC(=O)N[C@@H](C)COC WXVL_AK0137SB0073 [0,0,0,0,0,1|2,0,0]=3 246 B10R0.2 CCCC(=O)N[C@@H](C)COC WXVL_AK0137SB0073 [0,0,0,0,0,1|2,0,0]=3 247 B10R0.2 CCCC(=O)N[C@H](C)COC WXVL_AK00613SB0073 [0,0,0,0,0,1|2,0,0]=3 248 B10R0.2 CCCC(=O)N[C@H](C)COC WXVL_AK00613SB0073 [0,0,0,0,0,1|2,0,0]=3 249 B10R0.2 CCC[C@H](C)NC(=O)CC#N WXVL_AK00682SB0057 [0,0,0,0,0,1|2,0,1]=4 250 B10R0.2 CCC[C@H](C)NC(=O)CC#N WXVL_AK00682SB0057 [0,0,0,0,0,1|2,0,1]=4 251 B10R0.2 CCC[C@H](C)NC(=O)COC WXVL_AK00682SB0090 [0,0,0,0,0,1|2,0,0]=3 252 B10R0.2 CCC[C@H](C)NC(=O)COC WXVL_AK00682SB0090 [0,0,0,0,0,1|2,0,0]=3 253 B10R0.2 CCC[C@H](C)NC(=O)CSC WXVL_AK00682SB1267 [0,0,0,0,0,1|2,0,0]=3 254 B10R0.2 CCC[C@H](C)NC(=O)CSC WXVL_AK00682SB1267 [0,0,0,0,0,1|2,0,0]=3 255 B10R0.2 CCNC(=O)CC(=O)OCC WXVL_AK00476SB3094 [0,0,0,0,0,1|2,0,1]=4 256 B10R0.2 CCNC(=O)CC(=O)OCC WXVL_AK00476SB3094 [0,0,0,0,0,1|2,0,1]=4 257 B10R0.2 COCC(=O)NC(C)CCO WXVL_AK1288SB0090 [0,0,0,0,0,1|3,0,0]=4 258 B10R0.2 COCC(=O)NC(C)CCO WXVL_AK1288SB0090 [0,0,0,0,0,1|3,0,0]=4 259 B10R0.2 COCC(=O)N[C@@H](C)COC WXVL_AK0137SB0090 [0,0,0,0,0,1|3,0,0]=4 260 B10R0.2 COCC(=O)N[C@@H](C)COC WXVL_AK0137SB0090 [0,0,0,0,0,1|3,0,0]=4 261 B10R0.2 COCC(=O)N[C@H](C)COC WXVL_AK00613SB0090 [0,0,0,0,0,1|3,0,0]=4 262 B10R0.2 COCC(=O)N[C@H](C)COC WXVL_AK00613SB0090 [0,0,0,0,0,1|3,0,0]=4 263 B10R0.2 COC[C@@H](C)NC(=O)CSC WXVL_AK00613SB1267 [0,0,0,0,0,1|3,0,0]=4 264 B10R0.2 COC[C@@H](C)NC(=O)CSC WXVL_AK00613SB1267 [0,0,0,0,0,1|3,0,0]=4 265 B10R0.2 COC[C@H](C)NC(=O)CSC WXVL_AK0137SB1267 [0,0,0,0,0,1|3,0,0]=4 266 B10R0.2 COC[C@H](C)NC(=O)CSC WXVL_AK0137SB1267 [0,0,0,0,0,1|3,0,0]=4 267 B10R0.2 CSCC(=O)NC(C)CCO WXVL_AK1288SB1267 [0,0,0,0,0,1|3,0,0]=4 268 B10R0.2 CSCC(=O)NC(C)CCO WXVL_AK1288SB1267 [0,0,0,0,0,1|3,0,0]=4 269 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [2,0,0,0,0,0|2,0,0]=4 270 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [2,0,0,0,0,0|2,0,0]=4 271 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [2,0,0,0,0,0|1,0,0]=3 272 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [2,0,0,0,0,0|1,0,0]=3 273 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [2,0,0,0,0,0|2,0,0]=4 274 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [2,0,0,0,0,0|2,0,0]=4 275 B7R0.3 CCOCC(=O)NC WXVL_AK00442SB0091 [2,0,0,0,0,0|2,0,0]=4 276 B7R0.3 CCOCC(=O)NC WXVL_AK00442SB0091 [2,0,0,0,0,0|2,0,0]=4 277 B7R0.3 CCSCC(=O)NC WXVL_AK00442SB0002 [2,0,0,0,0,0|2,0,0]=4 278 B7R0.3 CCSCC(=O)NC WXVL_AK00442SB0002 [2,0,0,0,0,0|2,0,0]=4 279 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [2,0,0,0,0,0|2,0,0]=4 280 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [2,0,0,0,0,0|2,0,0]=4 281 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [2,0,0,0,0,0|2,0,0]=4 282 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [2,0,0,0,0,0|2,0,0]=4 283 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [2,0,0,0,0,0|1,0,0]=3 284 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [2,0,0,0,0,0|1,0,0]=3 285 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [2,0,0,0,0,0|2,0,0]=4 286 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [2,0,0,0,0,0|2,0,0]=4 287 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [2,0,0,0,0,0|2,0,0]=4 288 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [2,0,0,0,0,0|2,0,0]=4 289 B7R0.5 CC(=O)N(C)CCO WXVL_AN2670SB0150 [2,0,0,0,0,0|2,0,0]=4 290 B7R0.5 CC(=O)N(C)CCO WXVL_AN2670SB0150 [2,0,0,0,0,0|2,0,0]=4 291 B7R0.5 CCCC(=O)N(C)C WXVL_AN0032SB0073 [2,0,0,0,0,0|2,0,0]=4 292 B7R0.5 CCCC(=O)N(C)C WXVL_AN0032SB0073 [2,0,0,0,0,0|2,0,0]=4 293 B7R0.5 CCCC(C)C(=O)N WXVL_AK0084SB0352 [2,0,0,0,0,0|1,0,0]=3 294 B7R0.5 CCCC(C)C(=O)N WXVL_AK0084SB0352 [2,0,0,0,0,0|1,0,0]=3 295 B7R0.5 CCC[C@H](O)C(=O)N WXVL_AK0084SB3627 [2,0,0,0,0,0|2,0,0]=4 296 B7R0.5 CCC[C@H](O)C(=O)N WXVL_AK0084SB3627 [2,0,0,0,0,0|2,0,0]=4 297 B7R0.5 CCNC(=O)C(C)C WXVL_AK00476SB0052 [2,0,0,0,0,0|1,0,0]=3 298 B7R0.5 CCNC(=O)C(C)C WXVL_AK00476SB0052 [2,0,0,0,0,0|1,0,0]=3 299 B7R0.5 CCNC(=O)C(C)S WXVL_AK00476SB2708 [2,0,0,0,0,0|2,0,0]=4 300 B7R0.5 CCNC(=O)C(C)S WXVL_AK00476SB2708 [2,0,0,0,0,0|2,0,0]=4 301 B7R0.5 CCNC(=O)[C@@H](C)O WXVL_AK00476SB1085 [2,0,0,0,0,0|2,0,0]=4 302 B7R0.5 CCNC(=O)[C@@H](C)O WXVL_AK00476SB1085 [2,0,0,0,0,0|2,0,0]=4 303 B7R0.10 CCC(C)C(=O)NC WXVL_AK00442SB0054 [2,0,0,0,0,0|1,0,0]=3 304 B7R0.10 CCC(C)C(=O)NC WXVL_AK00442SB0054 [2,0,0,0,0,0|1,0,0]=3 305 B7R0.10 CC[C@@H](C)C(=O)NC WXVL_AK00442SB00054 [2,0,0,0,0,0|1,0,0]=3 306 B7R0.10 CC[C@@H](C)C(=O)NC WXVL_AK00442SB00054 [2,0,0,0,0,0|1,0,0]=3 307 B7R0.10 CC[C@H](O)C(=O)NC WXVL_AK00442SB3573 [2,0,0,0,0,0|2,0,0]=4 308 B7R0.10 CC[C@H](O)C(=O)NC WXVL_AK00442SB3573 [2,0,0,0,0,0|2,0,0]=4 309 B7R0.10 CNC(=O)[C@@H](C)OC WXVL_AK00442SB2926 [2,0,0,0,0,0|2,0,0]=4 310 B7R0.10 CNC(=O)[C@@H](C)OC WXVL_AK00442SB2926 [2,0,0,0,0,0|2,0,0]=4 311 B9R0.4 CCCNC(=O)CC(C)C WXVL_AK00504SB0063 [1,1,0,0,0,0|2,0,0]=4 312 B9R0.4 CCCNC(=O)CC(C)C WXVL_AK00504SB0063 [1,1,0,0,0,0|2,0,0]=4 313 B9R0.4 CCCNC(=O)CC(C)O WXVL_AK00504SB3643 [1,1,0,0,0,0|2,0,0]=4 314 B9R0.4 CCCNC(=O)CC(C)O WXVL_AK00504SB3643 [1,1,0,0,0,0|2,0,0]=4 315 B9R0.4 CCOCC(=O)NC(C)C WXVL_AK0030SB0091 [1,1,0,0,0,0|2,0,0]=4 316 B9R0.4 CCOCC(=O)NC(C)C WXVL_AK0030SB0091 [1,1,0,0,0,0|2,0,0]=4 317 B9R0.4 CCSCC(=O)NC(C)C WXVL_AK0030SB0002 [1,1,0,0,0,0|2,0,0]=4 318 B9R0.4 CCSCC(=O)NC(C)C WXVL_AK0030SB0002 [1,1,0,0,0,0|2,0,0]=4 319 B9R0.4 COCCC(=O)NC(C)C WXVL_AK0030SB0156 [1,1,0,0,0,0|2,0,0]=4 320 B9R0.4 COCCC(=O)NC(C)C WXVL_AK0030SB0156 [1,1,0,0,0,0|2,0,0]=4 321 B9R0.4 CSCCC(=O)NC(C)C WXVL_AK0030SB0361 [1,1,0,0,0,0|2,0,0]=4 322 B9R0.4 CSCCC(=O)NC(C)C WXVL_AK0030SB0361 [1,1,0,0,0,0|2,0,0]=4 323 B9R0.5 C#CCCCC(=O)NCC WXVL_AK00476SB2709 [1,1,0,0,0,0|1,0,1]=4 324 B9R0.5 C#CCCCC(=O)NCC WXVL_AK00476SB2709 [1,1,0,0,0,0|1,0,1]=4 325 B9R0.5 C/C=C/C(=O)NCCCC WXVL_AK00588SB0340 [1,1,0,0,0,0|1,0,1]=4 326 B9R0.5 C/C=C/C(=O)NCCCC WXVL_AK00588SB0340 [1,1,0,0,0,0|1,0,1]=4 327 B9R0.5 C=CCCCC(=O)NCC WXVL_AK00476SB2920 [1,1,0,0,0,0|1,0,1]=4 328 B9R0.5 C=CCCCC(=O)NCC WXVL_AK00476SB2920 [1,1,0,0,0,0|1,0,1]=4 329 B9R0.5 CC#CC(=O)NCCCC WXVL_AK00588SB1240 [1,1,0,0,0,0|1,0,1]=4 330 B9R0.5 CC#CC(=O)NCCCC WXVL_AK00588SB1240 [1,1,0,0,0,0|1,0,1]=4 331 B9R0.5 CC/C=C/CC(=O)NCC WXVL_AK00476SB0349 [1,1,0,0,0,0|1,0,1]=4 332 B9R0.5 CC/C=C/CC(=O)NCC WXVL_AK00476SB0349 [1,1,0,0,0,0|1,0,1]=4 333 B9R0.5 CCCC(=O)NCCCO WXVL_AK0073SB0073 [1,1,0,0,0,0|2,0,0]=4 334 B9R0.5 CCCC(=O)NCCCO WXVL_AK0073SB0073 [1,1,0,0,0,0|2,0,0]=4 335 B9R0.5 CCCC(=O)NCCSC WXVL_AK00440SB0073 [1,1,0,0,0,0|2,0,0]=4 336 B9R0.5 CCCC(=O)NCCSC WXVL_AK00440SB0073 [1,1,0,0,0,0|2,0,0]=4 337 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [1,1,0,0,0,0|1,0,0]=3 338 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [1,1,0,0,0,0|1,0,0]=3 339 B9R0.5 CCCCNC(=O)COC WXVL_AK00588SB0090 [1,1,0,0,0,0|2,0,0]=4 340 B9R0.5 CCCCNC(=O)COC WXVL_AK00588SB0090 [1,1,0,0,0,0|2,0,0]=4 341 B9R0.5 CCCCNC(=O)CSC WXVL_AK00588SB1267 [1,1,0,0,0,0|2,0,0]=4 342 B9R0.5 CCCCNC(=O)CSC WXVL_AK00588SB1267 [1,1,0,0,0,0|2,0,0]=4 343 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [1,1,0,0,0,0|1,0,0]=3 344 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [1,1,0,0,0,0|1,0,0]=3 345 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [1,1,0,0,0,0|1,0,0]=3 346 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [1,1,0,0,0,0|1,0,0]=3 347 B9R0.5 CCNC(=O)NCCCCl WXVL_AK00476YV0130 [1,1,0,0,0,0|2,0,0]=4 348 B9R0.5 CCNC(=O)NCCCCl WXVL_AK00476YV0130 [1,1,0,0,0,0|2,0,0]=4 349 B9R0.8 CCCNC(=O)C(=O)CC WXVL_AK00504SB0344 [1,1,0,0,0,0|2,0,0]=4 350 B9R0.8 CCCNC(=O)C(=O)CC WXVL_AK00504SB0344 [1,1,0,0,0,0|2,0,0]=4 351 B9R0.8 CCCNC(=O)C(C)CC WXVL_AK00504SB0054 [1,1,0,0,0,0|2,0,0]=4 352 B9R0.8 CCCNC(=O)C(C)CC WXVL_AK00504SB0054 [1,1,0,0,0,0|2,0,0]=4 353 B9R0.8 CCCNC(=O)[C@@H](O)CC WXVL_AK00504SB3573 [1,1,0,0,0,0|2,0,0]=4 354 B9R0.8 CCCNC(=O)[C@@H](O)CC WXVL_AK00504SB3573 [1,1,0,0,0,0|2,0,0]=4 355 B9R0.8 CCCNC(=O)[C@H](C)CC WXVL_AK00504SB00054 [1,1,0,0,0,0|2,0,0]=4 356 B9R0.8 CCCNC(=O)[C@H](C)CC WXVL_AK00504SB00054 [1,1,0,0,0,0|2,0,0]=4 357 B9R0.18 CCCNC(=O)CCOC WXVL_AK00504SB0156 [1,1,0,0,0,0|2,0,0]=4 358 B9R0.18 CCCNC(=O)CCOC WXVL_AK00504SB0156 [1,1,0,0,0,0|2,0,0]=4 359 B9R0.18 CCCNC(=O)CCSC WXVL_AK00504SB0361 [1,1,0,0,0,0|2,0,0]=4 360 B9R0.18 CCCNC(=O)CCSC WXVL_AK00504SB0361 [1,1,0,0,0,0|2,0,0]=4 361 B9R0.18 CCCNC(=O)COCC WXVL_AK00504SB0091 [1,1,0,0,0,0|1,0,0]=3 362 B9R0.18 CCCNC(=O)COCC WXVL_AK00504SB0091 [1,1,0,0,0,0|1,0,0]=3 363 B9R0.18 CCCNC(=O)CSCC WXVL_AK00504SB0002 [1,1,0,0,0,0|1,1,0]=4 364 B9R0.18 CCCNC(=O)CSCC WXVL_AK00504SB0002 [1,1,0,0,0,0|1,1,0]=4 365 B9R0.18 CCCNC(=O)NCCCl WXVL_AK00504YV0092 [1,1,0,0,0,0|2,0,0]=4 366 B9R0.18 CCCNC(=O)NCCCl WXVL_AK00504YV0092 [1,1,0,0,0,0|2,0,0]=4 367 B9R0.18 CCOCC(=O)NCCF WXVL_AK00466SB0091 [1,1,0,0,0,0|2,0,0]=4 368 B9R0.18 CCOCC(=O)NCCF WXVL_AK00466SB0091 [1,1,0,0,0,0|2,0,0]=4 369 B9R0.18 CCSCC(=O)NCCF WXVL_AK00466SB0002 [1,1,0,0,0,0|2,0,0]=4 370 B9R0.18 CCSCC(=O)NCCF WXVL_AK00466SB0002 [1,1,0,0,0,0|2,0,0]=4 371 B9R0.18 COCCC(=O)NCCF WXVL_AK00466SB0156 [1,1,0,0,0,0|2,0,0]=4 372 B9R0.18 COCCC(=O)NCCF WXVL_AK00466SB0156 [1,1,0,0,0,0|2,0,0]=4 373 B9R0.18 CSCCC(=O)NCCF WXVL_AK00466SB0361 [1,1,0,0,0,0|2,0,0]=4 374 B9R0.18 CSCCC(=O)NCCF WXVL_AK00466SB0361 [1,1,0,0,0,0|2,0,0]=4 375 B9R0.34 CCCC(=O)N[C@@H](C)CC WXVL_AK00678SB0073 [1,1,0,0,0,0|2,0,0]=4 376 B9R0.34 CCCC(=O)N[C@@H](C)CC WXVL_AK00678SB0073 [1,1,0,0,0,0|2,0,0]=4 377 B9R0.34 CCC[C@H](C)NC(=O)CC WXVL_AK00682SB0064 [1,1,0,0,0,0|2,0,0]=4 378 B9R0.34 CCC[C@H](C)NC(=O)CC WXVL_AK00682SB0064 [1,1,0,0,0,0|2,0,0]=4 379 B9R0.34 CCNC(=O)CC(C)CC WXVL_AK00476SB0353 [1,1,0,0,0,0|1,0,0]=3 380 B9R0.34 CCNC(=O)CC(C)CC WXVL_AK00476SB0353 [1,1,0,0,0,0|1,0,0]=3 381 B9R0.34 CCNC(=O)CC(O)CC WXVL_AK00476SB4092 [1,1,0,0,0,0|1,0,0]=3 382 B9R0.34 CCNC(=O)CC(O)CC WXVL_AK00476SB4092 [1,1,0,0,0,0|1,0,0]=3 383 B9R0.34 CCNC(=O)C[C@H](C)CC WXVL_AK00476SB8650 [1,1,0,0,0,0|1,0,0]=3 384 B9R0.34 CCNC(=O)C[C@H](C)CC WXVL_AK00476SB8650 [1,1,0,0,0,0|1,0,0]=3 385 B9R0.34 CCOC(=O)CC(=O)NC WXVL_AK00442SB3094 [1,1,0,0,0,0|1,0,1]=4 386 B9R0.34 CCOC(=O)CC(=O)NC WXVL_AK00442SB3094 [1,1,0,0,0,0|1,0,1]=4 387 B9R0.48 CCCC(=O)NCC(C)C WXVL_AK00544SB0073 [1,1,0,0,0,0|2,0,0]=4 388 B9R0.48 CCCC(=O)NCC(C)C WXVL_AK00544SB0073 [1,1,0,0,0,0|2,0,0]=4 389 B9R0.48 CCCC(=O)NCC(C)O WXVL_AK0052SB0073 [1,1,0,0,0,0|2,0,0]=4 390 B9R0.48 CCCC(=O)NCC(C)O WXVL_AK0052SB0073 [1,1,0,0,0,0|2,0,0]=4 391 B9R0.48 CCCC(=O)NC[C@H](C)O WXVL_AK0113SB0073 [1,1,0,0,0,0|2,0,0]=4 392 B9R0.48 CCCC(=O)NC[C@H](C)O WXVL_AK0113SB0073 [1,1,0,0,0,0|2,0,0]=4 393 B9R0.48 CCNC(=O)CCC(=O)C WXVL_AK00476SB0072 [1,1,0,0,0,0|1,0,1]=4 394 B9R0.48 CCNC(=O)CCC(=O)C WXVL_AK00476SB0072 [1,1,0,0,0,0|1,0,1]=4 395 B9R0.48 CCNC(=O)CCC(C)C WXVL_AK00476SB0354 [1,1,0,0,0,0|1,0,0]=3 396 B9R0.48 CCNC(=O)CCC(C)C WXVL_AK00476SB0354 [1,1,0,0,0,0|1,0,0]=3 397 B9R0.48 CCNC(=O)CCN(C)C WXVL_AK00476SB00052 [1,1,0,0,0,0|2,0,0]=4 398 B9R0.48 CCNC(=O)CCN(C)C WXVL_AK00476SB00052 [1,1,0,0,0,0|2,0,0]=4 399 B9R0.48 CCNC(=O)COC(C)C WXVL_AK00476SB0213 [1,1,0,0,0,0|2,0,0]=4 400 B9R0.48 CCNC(=O)COC(C)C WXVL_AK00476SB0213 [1,1,0,0,0,0|2,0,0]=4 401 B9R0.66 CCCCS(=O)(=O)NCC WXVL_AK00476HU0031 [1,1,0,0,0,0|2,0,0]=4 402 B9R0.66 CCCCS(=O)(=O)NCC WXVL_AK00476HU0031 [1,1,0,0,0,0|2,0,0]=4 403 B9R0.6 CC(C)C(=O)N(C)CCO WXVL_AN2670SB0052 [1,1,0,0,0,0|2,0,0]=4 404 B9R0.6 CC(C)C(=O)N(C)CCO WXVL_AN2670SB0052 [1,1,0,0,0,0|2,0,0]=4 405 B9R0.6 CC(S)C(=O)N(C)CCO WXVL_AN2670SB2708 [1,1,0,0,0,0|2,0,0]=4 406 B9R0.6 CC(S)C(=O)N(C)CCO WXVL_AN2670SB2708 [1,1,0,0,0,0|2,0,0]=4 407 B9R0.6 CCCC(=O)N(C)C(C)C WXVL_AN0073SB0073 [1,1,0,0,0,0|2,0,0]=4 408 B9R0.6 CCCC(=O)N(C)C(C)C WXVL_AN0073SB0073 [1,1,0,0,0,0|2,0,0]=4 409 B9R0.6 CCCC(C)C(=O)N(C)C WXVL_AN0032SB0352 [1,1,0,0,0,0|1,0,0]=3 410 B9R0.6 CCCC(C)C(=O)N(C)C WXVL_AN0032SB0352 [1,1,0,0,0,0|1,0,0]=3 411 B9R0.6 CCC[C@H](O)C(=O)N(C)C WXVL_AN0032SB3627 [1,1,0,0,0,0|2,0,0]=4 412 B9R0.6 CCC[C@H](O)C(=O)N(C)C WXVL_AN0032SB3627 [1,1,0,0,0,0|2,0,0]=4 413 B9R0.6 CCNC(=O)C(O)C(C)C WXVL_AK00476SB1147 [1,1,0,0,0,0|2,0,0]=4 414 B9R0.6 CCNC(=O)C(O)C(C)C WXVL_AK00476SB1147 [1,1,0,0,0,0|2,0,0]=4 415 B9R0.6 C[C@@H](O)C(=O)N(C)CCO WXVL_AN2670SB1085 [1,1,0,0,0,0|2,0,0]=4 416 B9R0.6 C[C@@H](O)C(=O)N(C)CCO WXVL_AN2670SB1085 [1,1,0,0,0,0|2,0,0]=4 417 B9R0.12 CCC(=O)N(CC)CCO WXVL_AN3174SB0064 [1,1,0,0,0,0|2,0,0]=4 418 B9R0.19 CCNC(=O)C(C)(C)CC WXVL_AK00476SB0355 [1,1,0,0,0,0|1,0,0]=3 419 B9R0.19 CCNC(=O)C(C)(C)CC WXVL_AK00476SB0355 [1,1,0,0,0,0|1,0,0]=3 420 B9R0.19 CCNC(=O)C(C)(C)CCl WXVL_AK00476SB3392 [1,1,0,0,0,0|2,0,0]=4 421 B9R0.19 CCNC(=O)C(C)(C)CCl WXVL_AK00476SB3392 [1,1,0,0,0,0|2,0,0]=4 422 B9R0.19 CCNC(=O)C(C)(C)OC WXVL_AK00476SB0207 [1,1,0,0,0,0|2,0,0]=4 423 B9R0.19 CCNC(=O)C(C)(C)OC WXVL_AK00476SB0207 [1,1,0,0,0,0|2,0,0]=4 424 B9R0.19 CCNC(=O)C(C)(O)CC WXVL_AK00476SB3009 [1,1,0,0,0,0|1,0,0]=3 425 B9R0.19 CCNC(=O)C(C)(O)CC WXVL_AK00476SB3009 [1,1,0,0,0,0|1,0,0]=3 426 B9R0.23 CCC(C)C(=O)NC(C)C WXVL_AK0030SB0054 [1,1,0,0,0,0|1,0,0]=3 427 B9R0.23 CCC(C)C(=O)NC(C)C WXVL_AK0030SB0054 [1,1,0,0,0,0|1,0,0]=3 428 B9R0.23 CC[C@@H](C)C(=O)NC(C)C WXVL_AK0030SB00054 [1,1,0,0,0,0|1,0,0]=3 429 B9R0.23 CC[C@@H](C)C(=O)NC(C)C WXVL_AK0030SB00054 [1,1,0,0,0,0|1,0,0]=3 430 B9R0.23 CC[C@H](O)C(=O)NC(C)C WXVL_AK0030SB3573 [1,1,0,0,0,0|2,0,0]=4 431 B9R0.23 CC[C@H](O)C(=O)NC(C)C WXVL_AK0030SB3573 [1,1,0,0,0,0|2,0,0]=4 432 B9R0.23 CNC(=O)C(O)CC(C)C WXVL_AK00442SB4281 [1,1,0,0,0,0|2,0,0]=4 433 B9R0.23 CNC(=O)C(O)CC(C)C WXVL_AK00442SB4281 [1,1,0,0,0,0|2,0,0]=4 434 B9R0.23 CO[C@H](C)C(=O)NC(C)C WXVL_AK0030SB2926 [1,1,0,0,0,0|2,0,0]=4 435 B9R0.23 CO[C@H](C)C(=O)NC(C)C WXVL_AK0030SB2926 [1,1,0,0,0,0|2,0,0]=4 436 B9R0.27 CNC(=O)C(C)C(=O)OC WXVL_AK00442SB5708 [1,1,0,0,0,0|1,0,1]=4 437 B9R0.27 CNC(=O)C(C)C(=O)OC WXVL_AK00442SB5708 [1,1,0,0,0,0|1,0,1]=4 438 B9R0.37 CCCC(=O)N(CC)CC WXVL_AN0042SB0073 [1,1,0,0,0,0|2,0,0]=4 439 B9R0.37 CCCC(=O)N(CC)CC WXVL_AN0042SB0073 [1,1,0,0,0,0|2,0,0]=4 440 B9R0.37 CCNC(=O)C(CC)CC WXVL_AK00476SB0055 [1,1,0,0,0,0|1,0,0]=3 441 B9R0.37 CCNC(=O)C(CC)CC WXVL_AK00476SB0055 [1,1,0,0,0,0|1,0,0]=3 442 B9R0.37 CCNC(=O)C(OC)OC WXVL_AK00476SB8546 [1,1,0,0,0,0|2,0,0]=4 443 B9R0.37 CCNC(=O)C(OC)OC WXVL_AK00476SB8546 [1,1,0,0,0,0|2,0,0]=4 444 B9R0.60 CCCC(C)(C)C(=O)NC WXVL_AK00442SB0372 [1,1,0,0,0,0|1,0,0]=3 445 B9R0.60 CCCC(C)(C)C(=O)NC WXVL_AK00442SB0372 [1,1,0,0,0,0|1,0,0]=3 446 B9R0.60 CNC(=O)C(C)(C)CSC WXVL_AK00442SBF473 [1,1,0,0,0,0|2,0,0]=4 447 B9R0.60 CNC(=O)C(C)(C)CSC WXVL_AK00442SBF473 [1,1,0,0,0,0|2,0,0]=4 448 B11R0.1 CC(C)CC(=O)NC(C)CCO WXVL_AK1288SB0063 [0,1,0,0,0,1|2,0,0]=4 449 B11R0.1 CC(C)CC(=O)NC(C)CCO WXVL_AK1288SB0063 [0,1,0,0,0,1|2,0,0]=4 450 B11R0.1 CC(O)CC(=O)NC(C)CCO WXVL_AK1288SB3643 [0,1,0,0,0,1|2,0,0]=4 451 B11R0.1 CC(O)CC(=O)NC(C)CCO WXVL_AK1288SB3643 [0,1,0,0,0,1|2,0,0]=4 452 B11R0.1 CCCC(=O)NC(C)CN(C)C WXVL_AK0938SB0073 [0,1,0,0,0,1|2,0,0]=4 453 B11R0.1 CCCC(=O)NC(C)CN(C)C WXVL_AK0938SB0073 [0,1,0,0,0,1|2,0,0]=4 454 B11R0.1 CCC[C@H](C)NC(=O)C=C(C)C WXVL_AK00682SB0342 [0,1,0,0,0,1|1,0,1]=4 455 B11R0.1 CCC[C@H](C)NC(=O)C=C(C)C WXVL_AK00682SB0342 [0,1,0,0,0,1|1,0,1]=4 456 B11R0.1 CCC[C@H](C)NC(=O)CC(C)C WXVL_AK00682SB0063 [0,1,0,0,0,1|1,0,0]=3 457 B11R0.1 CCC[C@H](C)NC(=O)CC(C)C WXVL_AK00682SB0063 [0,1,0,0,0,1|1,0,0]=3 458 B11R0.1 CCC[C@H](C)NC(=O)CC(C)O WXVL_AK00682SB3643 [0,1,0,0,0,1|1,0,0]=3 459 B11R0.1 CCC[C@H](C)NC(=O)CC(C)O WXVL_AK00682SB3643 [0,1,0,0,0,1|1,0,0]=3 460 B11R0.1 CCC[C@H](C)NC(=O)CN(C)C WXVL_AK00682SB0085 [0,1,0,0,0,1|2,0,0]=4 461 B11R0.1 CCC[C@H](C)NC(=O)CN(C)C WXVL_AK00682SB0085 [0,1,0,0,0,1|2,0,0]=4 462 B11R0.1 COC[C@@H](C)NC(=O)CC(C)C WXVL_AK00613SB0063 [0,1,0,0,0,1|2,0,0]=4 463 B11R0.1 COC[C@@H](C)NC(=O)CC(C)C WXVL_AK00613SB0063 [0,1,0,0,0,1|2,0,0]=4 464 B11R0.1 COC[C@@H](C)NC(=O)CC(C)O WXVL_AK00613SB3643 [0,1,0,0,0,1|2,0,0]=4 465 B11R0.1 COC[C@@H](C)NC(=O)CC(C)O WXVL_AK00613SB3643 [0,1,0,0,0,1|2,0,0]=4 466 B11R0.1 COC[C@H](C)NC(=O)CC(C)C WXVL_AK0137SB0063 [0,1,0,0,0,1|2,0,0]=4 467 B11R0.1 COC[C@H](C)NC(=O)CC(C)C WXVL_AK0137SB0063 [0,1,0,0,0,1|2,0,0]=4 468 B11R0.1 COC[C@H](C)NC(=O)CC(C)O WXVL_AK0137SB3643 [0,1,0,0,0,1|2,0,0]=4 469 B11R0.1 COC[C@H](C)NC(=O)CC(C)O WXVL_AK0137SB3643 [0,1,0,0,0,1|2,0,0]=4 470 B11R0.5 C#CCCC(=O)N[C@@H](C)CCC WXVL_AK00682SB2189 [0,1,0,0,0,1|1,0,1]=4 471 B11R0.5 C#CCCC(=O)N[C@@H](C)CCC WXVL_AK00682SB2189 [0,1,0,0,0,1|1,0,1]=4 472 B11R0.5 C=CCCC(=O)N[C@@H](C)CCC WXVL_AK00682SB1035 [0,1,0,0,0,1|1,0,1]=4 473 B11R0.5 C=CCCC(=O)N[C@@H](C)CCC WXVL_AK00682SB1035 [0,1,0,0,0,1|1,0,1]=4 474 B11R0.5 CC(CCO)NC(=O)NCCCl WXVL_AK1288YV0092 [0,1,0,0,0,1|2,0,0]=4 475 B11R0.5 CC(CCO)NC(=O)NCCCl WXVL_AK1288YV0092 [0,1,0,0,0,1|2,0,0]=4 476 B11R0.5 CCCNC(=O)CC(=O)OCC WXVL_AK00504SB3094 [0,1,0,0,0,1|1,0,1]=4 477 B11R0.5 CCCNC(=O)CC(=O)OCC WXVL_AK00504SB3094 [0,1,0,0,0,1|1,0,1]=4 478 B11R0.5 CCC[C@H](C)NC(=O)/C=C/CBr WXVL_AK00682SB0424 [0,1,0,0,0,1|1,0,1]=4 479 B11R0.5 CCC[C@H](C)NC(=O)/C=C/CBr WXVL_AK00682SB0424 [0,1,0,0,0,1|1,0,1]=4 480 B11R0.5 CCC[C@H](C)NC(=O)CCOC WXVL_AK00682SB0156 [0,1,0,0,0,1|1,0,0]=3 481 B11R0.5 CCC[C@H](C)NC(=O)CCOC WXVL_AK00682SB0156 [0,1,0,0,0,1|1,0,0]=3 482 B11R0.5 CCC[C@H](C)NC(=O)CCSC WXVL_AK00682SB0361 [0,1,0,0,0,1|1,0,0]=3 483 B11R0.5 CCC[C@H](C)NC(=O)CCSC WXVL_AK00682SB0361 [0,1,0,0,0,1|1,0,0]=3 484 B11R0.5 CCC[C@H](C)NC(=O)COCC WXVL_AK00682SB0091 [0,1,0,0,0,1|0,0,0]=2 485 B11R0.5 CCC[C@H](C)NC(=O)COCC WXVL_AK00682SB0091 [0,1,0,0,0,1|0,0,0]=2 486 B11R0.5 CCC[C@H](C)NC(=O)CSCC WXVL_AK00682SB0002 [0,1,0,0,0,1|0,1,0]=3 487 B11R0.5 CCC[C@H](C)NC(=O)CSCC WXVL_AK00682SB0002 [0,1,0,0,0,1|0,1,0]=3 488 B11R0.5 CCC[C@H](C)NC(=O)NCCCl WXVL_AK00682YV0092 [0,1,0,0,0,1|1,0,0]=3 489 B11R0.5 CCC[C@H](C)NC(=O)NCCCl WXVL_AK00682YV0092 [0,1,0,0,0,1|1,0,0]=3 490 B11R0.5 CCOCC(=O)NC(C)CCO WXVL_AK1288SB0091 [0,1,0,0,0,1|1,0,0]=3 491 B11R0.5 CCOCC(=O)NC(C)CCO WXVL_AK1288SB0091 [0,1,0,0,0,1|1,0,0]=3 492 B11R0.5 CCOCC(=O)N[C@@H](C)CC#N WXVL_AK00595SB0091 [0,1,0,0,0,1|1,0,1]=4 493 B11R0.5 CCOCC(=O)N[C@@H](C)CC#N WXVL_AK00595SB0091 [0,1,0,0,0,1|1,0,1]=4 494 B11R0.5 CCOCC(=O)N[C@@H](C)COC WXVL_AK0137SB0091 [0,1,0,0,0,1|1,0,0]=3 495 B11R0.5 CCOCC(=O)N[C@@H](C)COC WXVL_AK0137SB0091 [0,1,0,0,0,1|1,0,0]=3 496 B11R0.5 CCOCC(=O)N[C@H](C)COC WXVL_AK00613SB0091 [0,1,0,0,0,1|1,0,0]=3 497 B11R0.5 CCOCC(=O)N[C@H](C)COC WXVL_AK00613SB0091 [0,1,0,0,0,1|1,0,0]=3 498 B11R0.5 CCSCC(=O)NC(C)CCO WXVL_AK1288SB0002 [0,1,0,0,0,1|1,1,0]=4 499 B11R0.5 CCSCC(=O)NC(C)CCO WXVL_AK1288SB0002 [0,1,0,0,0,1|1,1,0]=4 500 B11R0.5 CCSCC(=O)N[C@@H](C)COC WXVL_AK0137SB0002 [0,1,0,0,0,1|1,1,0]=4 501 B11R0.5 CCSCC(=O)N[C@@H](C)COC WXVL_AK0137SB0002 [0,1,0,0,0,1|1,1,0]=4 502 B11R0.5 CCSCC(=O)N[C@H](C)COC WXVL_AK00613SB0002 [0,1,0,0,0,1|1,1,0]=4 503 B11R0.5 CCSCC(=O)N[C@H](C)COC WXVL_AK00613SB0002 [0,1,0,0,0,1|1,1,0]=4 504 B11R0.5 COCCC(=O)NC(C)CCO WXVL_AK1288SB0156 [0,1,0,0,0,1|2,0,0]=4 505 B11R0.5 COCCC(=O)NC(C)CCO WXVL_AK1288SB0156 [0,1,0,0,0,1|2,0,0]=4 506 B11R0.5 COCCC(=O)N[C@@H](C)COC WXVL_AK0137SB0156 [0,1,0,0,0,1|2,0,0]=4 507 B11R0.5 COCCC(=O)N[C@@H](C)COC WXVL_AK0137SB0156 [0,1,0,0,0,1|2,0,0]=4 508 B11R0.5 COCCC(=O)N[C@H](C)COC WXVL_AK00613SB0156 [0,1,0,0,0,1|2,0,0]=4 509 B11R0.5 COCCC(=O)N[C@H](C)COC WXVL_AK00613SB0156 [0,1,0,0,0,1|2,0,0]=4 510 B11R0.5 COC[C@@H](C)NC(=O)CCSC WXVL_AK00613SB0361 [0,1,0,0,0,1|2,0,0]=4 511 B11R0.5 COC[C@@H](C)NC(=O)CCSC WXVL_AK00613SB0361 [0,1,0,0,0,1|2,0,0]=4 512 B11R0.5 COC[C@@H](C)NC(=O)NCCCl WXVL_AK00613YV0092 [0,1,0,0,0,1|2,0,0]=4 513 B11R0.5 COC[C@@H](C)NC(=O)NCCCl WXVL_AK00613YV0092 [0,1,0,0,0,1|2,0,0]=4 514 B11R0.5 COC[C@H](C)NC(=O)CCSC WXVL_AK0137SB0361 [0,1,0,0,0,1|2,0,0]=4 515 B11R0.5 COC[C@H](C)NC(=O)CCSC WXVL_AK0137SB0361 [0,1,0,0,0,1|2,0,0]=4 516 B11R0.5 COC[C@H](C)NC(=O)NCCCl WXVL_AK0137YV0092 [0,1,0,0,0,1|2,0,0]=4 517 B11R0.5 COC[C@H](C)NC(=O)NCCCl WXVL_AK0137YV0092 [0,1,0,0,0,1|2,0,0]=4 518 B11R0.5 CSCCC(=O)NC(C)CCO WXVL_AK1288SB0361 [0,1,0,0,0,1|2,0,0]=4 519 B11R0.5 CSCCC(=O)NC(C)CCO WXVL_AK1288SB0361 [0,1,0,0,0,1|2,0,0]=4 520 B11R0.177 CCOC(=O)C(=O)N(C)CCO WXVL_AN2670SB4144 [0,1,0,0,0,1|2,0,0]=4 521 B11R0.177 CCOC(=O)C(=O)N(C)CCO WXVL_AN2670SB4144 [0,1,0,0,0,1|2,0,0]=4 522 B11R0.182 C/C=C/C(=O)N[C@H](CO)CCC WXVL_AK2551SB0340 [0,1,0,0,0,1|1,0,1]=4 523 B11R0.182 C/C=C/C(=O)N[C@H](CO)CCC WXVL_AK2551SB0340 [0,1,0,0,0,1|1,0,1]=4 524 B11R0.182 CC#CC(=O)N[C@H](CO)CCC WXVL_AK2551SB1240 [0,1,0,0,0,1|1,0,1]=4 525 B11R0.182 CC#CC(=O)N[C@H](CO)CCC WXVL_AK2551SB1240 [0,1,0,0,0,1|1,0,1]=4 526 B11R0.182 CCCC(=O)N[C@H](CO)CCC WXVL_AK2551SB0073 [0,1,0,0,0,1|1,0,0]=3 527 B11R0.182 CCCC(=O)N[C@H](CO)CCC WXVL_AK2551SB0073 [0,1,0,0,0,1|1,0,0]=3 528 B11R0.182 CCC[C@@H](CO)NC(=O)COC WXVL_AK2551SB0090 [0,1,0,0,0,1|2,0,0]=4 529 B11R0.182 CCC[C@@H](CO)NC(=O)COC WXVL_AK2551SB0090 [0,1,0,0,0,1|2,0,0]=4 530 B11R0.182 CCC[C@@H](CO)NC(=O)CSC WXVL_AK2551SB1267 [0,1,0,0,0,1|2,0,0]=4 531 B11R0.182 CCC[C@@H](CO)NC(=O)CSC WXVL_AK2551SB1267 [0,1,0,0,0,1|2,0,0]=4 532 B11R0.187 C/C=C(\C)/C(=O)N[C@@H](C)CCC WXVL_AK00682SB0343 [0,1,0,0,0,1|1,0,1]=4 533 B11R0.187 C/C=C(\C)/C(=O)N[C@@H](C)CCC WXVL_AK00682SB0343 [0,1,0,0,0,1|1,0,1]=4 534 B11R0.187 CCC(=O)C(=O)NC(C)CCO WXVL_AK1288SB0344 [0,1,0,0,0,1|2,0,0]=4 535 B11R0.187 CCC(=O)C(=O)NC(C)CCO WXVL_AK1288SB0344 [0,1,0,0,0,1|2,0,0]=4 536 B11R0.187 CCC(=O)C(=O)N[C@@H](C)COC WXVL_AK0137SB0344 [0,1,0,0,0,1|2,0,0]=4 537 B11R0.187 CCC(=O)C(=O)N[C@@H](C)COC WXVL_AK0137SB0344 [0,1,0,0,0,1|2,0,0]=4 538 B11R0.187 CCC(=O)C(=O)N[C@H](C)COC WXVL_AK00613SB0344 [0,1,0,0,0,1|2,0,0]=4 539 B11R0.187 CCC(=O)C(=O)N[C@H](C)COC WXVL_AK00613SB0344 [0,1,0,0,0,1|2,0,0]=4 540 B11R0.187 CCC(C)C(=O)NC(C)CCO WXVL_AK1288SB0054 [0,1,0,0,0,1|2,0,0]=4 541 B11R0.187 CCC(C)C(=O)NC(C)CCO WXVL_AK1288SB0054 [0,1,0,0,0,1|2,0,0]=4 542 B11R0.187 CCC(C)C(=O)N[C@@H](C)COC WXVL_AK0137SB0054 [0,1,0,0,0,1|2,0,0]=4 543 B11R0.187 CCC(C)C(=O)N[C@@H](C)COC WXVL_AK0137SB0054 [0,1,0,0,0,1|2,0,0]=4 544 B11R0.187 CCC(C)C(=O)N[C@H](C)COC WXVL_AK00613SB0054 [0,1,0,0,0,1|2,0,0]=4 545 B11R0.187 CCC(C)C(=O)N[C@H](C)COC WXVL_AK00613SB0054 [0,1,0,0,0,1|2,0,0]=4 546 B11R0.187 CCC[C@H](C)NC(=O)C(=O)CC WXVL_AK00682SB0344 [0,1,0,0,0,1|1,0,0]=3 547 B11R0.187 CCC[C@H](C)NC(=O)C(=O)CC WXVL_AK00682SB0344 [0,1,0,0,0,1|1,0,0]=3 548 B11R0.187 CCC[C@H](C)NC(=O)C(C)CC WXVL_AK00682SB0054 [0,1,0,0,0,1|1,0,0]=3 549 B11R0.187 CCC[C@H](C)NC(=O)C(C)CC WXVL_AK00682SB0054 [0,1,0,0,0,1|1,0,0]=3 550 B11R0.187 CCC[C@H](C)NC(=O)[C@@H](C)OC WXVL_AK00682SB2926 [0,1,0,0,0,1|2,0,0]=4 551 B11R0.187 CCC[C@H](C)NC(=O)[C@@H](C)OC WXVL_AK00682SB2926 [0,1,0,0,0,1|2,0,0]=4 552 B11R0.187 CCC[C@H](C)NC(=O)[C@@H](O)CC WXVL_AK00682SB3573 [0,1,0,0,0,1|1,0,0]=3 553 B11R0.187 CCC[C@H](C)NC(=O)[C@@H](O)CC WXVL_AK00682SB3573 [0,1,0,0,0,1|1,0,0]=3 554 B11R0.187 CCC[C@H](C)NC(=O)[C@H](C)CC WXVL_AK00682SB00054 [0,1,0,0,0,1|1,0,0]=3 555 B11R0.187 CCC[C@H](C)NC(=O)[C@H](C)CC WXVL_AK00682SB00054 [0,1,0,0,0,1|1,0,0]=3 556 B11R0.187 CC[C@@H](C)C(=O)NC(C)CCO WXVL_AK1288SB00054 [0,1,0,0,0,1|2,0,0]=4 557 B11R0.187 CC[C@@H](C)C(=O)NC(C)CCO WXVL_AK1288SB00054 [0,1,0,0,0,1|2,0,0]=4 558 B11R0.187 CC[C@@H](C)C(=O)N[C@@H](C)COC WXVL_AK0137SB00054 [0,1,0,0,0,1|2,0,0]=4 559 B11R0.187 CC[C@@H](C)C(=O)N[C@@H](C)COC WXVL_AK0137SB00054 [0,1,0,0,0,1|2,0,0]=4 560 B11R0.187 CC[C@@H](C)C(=O)N[C@H](C)COC WXVL_AK00613SB00054 [0,1,0,0,0,1|2,0,0]=4 561 B11R0.187 CC[C@@H](C)C(=O)N[C@H](C)COC WXVL_AK00613SB00054 [0,1,0,0,0,1|2,0,0]=4 562 B11R0.187 CC[C@H](O)C(=O)NC(C)CCO WXVL_AK1288SB3573 [0,1,0,0,0,1|2,0,0]=4 563 B11R0.187 CC[C@H](O)C(=O)NC(C)CCO WXVL_AK1288SB3573 [0,1,0,0,0,1|2,0,0]=4 564 B11R0.187 CC[C@H](O)C(=O)N[C@@H](C)COC WXVL_AK0137SB3573 [0,1,0,0,0,1|2,0,0]=4 565 B11R0.187 CC[C@H](O)C(=O)N[C@@H](C)COC WXVL_AK0137SB3573 [0,1,0,0,0,1|2,0,0]=4 566 B11R0.187 CC[C@H](O)C(=O)N[C@H](C)COC WXVL_AK00613SB3573 [0,1,0,0,0,1|2,0,0]=4 567 B11R0.187 CC[C@H](O)C(=O)N[C@H](C)COC WXVL_AK00613SB3573 [0,1,0,0,0,1|2,0,0]=4 568 B11R0.353 CCCC(=O)NC(C)(C)COC WXVL_AK1295SB0073 [0,1,0,0,0,1|2,0,0]=4 569 B11R0.353 CCCC(=O)NC(C)(C)COC WXVL_AK1295SB0073 [0,1,0,0,0,1|2,0,0]=4 570 B11R0.353 CCC[C@H](C)NS(=O)(=O)CCC WXVL_AK00682HU0030 [0,1,0,0,0,1|2,0,0]=4 571 B11R0.353 CCC[C@H](C)NS(=O)(=O)CCC WXVL_AK00682HU0030 [0,1,0,0,0,1|2,0,0]=4 572 B11R0.11 CCCCC(O)C(=O)NCCC WXVL_AK00504SB3429 [0,2,0,0,0,0|2,0,0]=4 573 B11R0.11 CCCCC(O)C(=O)NCCC WXVL_AK00504SB3429 [0,2,0,0,0,0|2,0,0]=4 574 B11R0.11 CCCCC(O)C(=O)NCCF WXVL_AK00466SB3429 [0,2,0,0,0,0|2,0,0]=4 575 B11R0.11 CCCCC(O)C(=O)NCCF WXVL_AK00466SB3429 [0,2,0,0,0,0|2,0,0]=4 576 B11R0.11 CCOCC(=O)N(C)CCOC WXVL_AN0085SB0091 [0,2,0,0,0,0|1,0,0]=3 577 B11R0.11 CCOCC(=O)N(C)CCOC WXVL_AN0085SB0091 [0,2,0,0,0,0|1,0,0]=3 578 B11R0.11 CCSCC(=O)N(C)CCOC WXVL_AN0085SB0002 [0,2,0,0,0,0|1,1,0]=4 579 B11R0.11 CCSCC(=O)N(C)CCOC WXVL_AN0085SB0002 [0,2,0,0,0,0|1,1,0]=4 580 B11R0.11 COCCC(=O)N(C)CCOC WXVL_AN0085SB0156 [0,2,0,0,0,0|2,0,0]=4 581 B11R0.11 COCCC(=O)N(C)CCOC WXVL_AN0085SB0156 [0,2,0,0,0,0|2,0,0]=4 582 B11R0.11 COCCN(C)C(=O)CCSC WXVL_AN0085SB0361 [0,2,0,0,0,0|2,0,0]=4 583 B11R0.11 COCCN(C)C(=O)CCSC WXVL_AN0085SB0361 [0,2,0,0,0,0|2,0,0]=4 584 B11R0.11 COCCN(C)C(=O)NCCCl WXVL_AN0085YV0092 [0,2,0,0,0,0|2,0,0]=4 585 B11R0.11 COCCN(C)C(=O)NCCCl WXVL_AN0085YV0092 [0,2,0,0,0,0|2,0,0]=4 586 B11R0.12 C=CCNC(=O)C(C)(C)CCC WXVL_AK00561SB0372 [0,2,0,0,0,0|1,0,1]=4 587 B11R0.12 C=CCNC(=O)C(C)(C)CCC WXVL_AK00561SB0372 [0,2,0,0,0,0|1,0,1]=4 588 B11R0.12 CCCC(C)(C)C(=O)NCC#N WXVL_AK0683SB0372 [0,2,0,0,0,0|1,0,1]=4 589 B11R0.12 CCCC(C)(C)C(=O)NCC#N WXVL_AK0683SB0372 [0,2,0,0,0,0|1,0,1]=4 590 B11R0.12 CCCC(C)(C)C(=O)NCCF WXVL_AK00466SB0372 [0,2,0,0,0,0|1,0,0]=3 591 B11R0.12 CCCC(C)(C)C(=O)NCCF WXVL_AK00466SB0372 [0,2,0,0,0,0|1,0,0]=3 592 B11R0.12 CCCNC(=O)C(C)(C)CCC WXVL_AK00504SB0372 [0,2,0,0,0,0|1,0,0]=3 593 B11R0.12 CCCNC(=O)C(C)(C)CCC WXVL_AK00504SB0372 [0,2,0,0,0,0|1,0,0]=3 594 B11R0.12 CCCNC(=O)C(C)(C)CSC WXVL_AK00504SBF473 [0,2,0,0,0,0|2,0,0]=4 595 B11R0.12 CCCNC(=O)C(C)(C)CSC WXVL_AK00504SBF473 [0,2,0,0,0,0|2,0,0]=4 596 B11R0.12 CSCC(C)(C)C(=O)NCCF WXVL_AK00466SBF473 [0,2,0,0,0,0|2,0,0]=4 597 B11R0.12 CSCC(C)(C)C(=O)NCCF WXVL_AK00466SBF473 [0,2,0,0,0,0|2,0,0]=4 598 B11R0.43 C#C[C@@H](C)NC(=O)C(C)CCC WXVL_AK00735SB0352 [0,2,0,0,0,0|1,0,0]=3 599 B11R0.43 C#C[C@@H](C)NC(=O)C(C)CCC WXVL_AK00735SB0352 [0,2,0,0,0,0|1,0,0]=3 600 B11R0.43 C#C[C@@H](C)NC(=O)[C@@H](O)CCC WXVL_AK00735SB3627 [0,2,0,0,0,0|2,0,0]=4 601 B11R0.43 C#C[C@@H](C)NC(=O)[C@@H](O)CCC WXVL_AK00735SB3627 [0,2,0,0,0,0|2,0,0]=4 602 B11R0.43 C=CC(C)NC(=O)C(C)CCC WXVL_AK00769SB0352 [0,2,0,0,0,0|1,0,0]=3 603 B11R0.43 C=CC(C)NC(=O)C(C)CCC WXVL_AK00769SB0352 [0,2,0,0,0,0|1,0,0]=3 604 B11R0.43 C=CC(C)NC(=O)[C@@H](O)CCC WXVL_AK00769SB3627 [0,2,0,0,0,0|2,0,0]=4 605 B11R0.43 C=CC(C)NC(=O)[C@@H](O)CCC WXVL_AK00769SB3627 [0,2,0,0,0,0|2,0,0]=4 606 B11R0.43 CCCC(C)C(=O)NC(C)C#N WXVL_AK00810SB0352 [0,2,0,0,0,0|1,0,0]=3 607 B11R0.43 CCCC(C)C(=O)NC(C)C#N WXVL_AK00810SB0352 [0,2,0,0,0,0|1,0,0]=3 608 B11R0.43 CCCC(C)C(=O)N[C@@H](C)CC WXVL_AK00678SB0352 [0,2,0,0,0,0|1,0,0]=3 609 B11R0.43 CCCC(C)C(=O)N[C@@H](C)CC WXVL_AK00678SB0352 [0,2,0,0,0,0|1,0,0]=3 610 B11R0.43 CCCC(C)C(=O)N[C@@H](C)CF WXVL_AK00558SB0352 [0,2,0,0,0,0|1,0,0]=3 611 B11R0.43 CCCC(C)C(=O)N[C@@H](C)CF WXVL_AK00558SB0352 [0,2,0,0,0,0|1,0,0]=3 612 B11R0.43 CCCC(C)C(=O)N[C@@H](C)CO WXVL_AK0109SB0352 [0,2,0,0,0,0|1,0,0]=3 613 B11R0.43 CCCC(C)C(=O)N[C@@H](C)CO WXVL_AK0109SB0352 [0,2,0,0,0,0|1,0,0]=3 614 B11R0.43 CCC[C@H](O)C(=O)NC(C)C#N WXVL_AK00810SB3627 [0,2,0,0,0,0|2,0,0]=4 615 B11R0.43 CCC[C@H](O)C(=O)NC(C)C#N WXVL_AK00810SB3627 [0,2,0,0,0,0|2,0,0]=4 616 B11R0.43 CCC[C@H](O)C(=O)N[C@@H](C)CC WXVL_AK00678SB3627 [0,2,0,0,0,0|2,0,0]=4 617 B11R0.43 CCC[C@H](O)C(=O)N[C@@H](C)CC WXVL_AK00678SB3627 [0,2,0,0,0,0|2,0,0]=4 618 B11R0.43 CCC[C@H](O)C(=O)N[C@@H](C)CF WXVL_AK00558SB3627 [0,2,0,0,0,0|2,0,0]=4 619 B11R0.43 CCC[C@H](O)C(=O)N[C@@H](C)CF WXVL_AK00558SB3627 [0,2,0,0,0,0|2,0,0]=4 620 B11R0.43 CCC[C@H](O)C(=O)N[C@@H](C)CO WXVL_AK0109SB3627 [0,2,0,0,0,0|2,0,0]=4 621 B11R0.43 CCC[C@H](O)C(=O)N[C@@H](C)CO WXVL_AK0109SB3627 [0,2,0,0,0,0|2,0,0]=4 622 B11R0.43 CCOC(=O)C(=O)N[C@@H](C)CC WXVL_AK00678SB4144 [0,2,0,0,0,0|1,0,1]=4 623 B11R0.43 CCOC(=O)C(=O)N[C@@H](C)CC WXVL_AK00678SB4144 [0,2,0,0,0,0|1,0,1]=4 624 B11R0.43 CCOC(=O)[C@H](C)NC(=O)CC WXVL_AK1648SB0064 [0,2,0,0,0,0|0,0,1]=3 625 B11R0.43 CCOC(=O)[C@H](C)NC(=O)CC WXVL_AK1648SB0064 [0,2,0,0,0,0|0,0,1]=3 626 B11R0.43 CCOC(=O)[C@H](C)NC(=O)CO WXVL_AK1648SB2706 [0,2,0,0,0,0|1,0,1]=4 627 B11R0.43 CCOC(=O)[C@H](C)NC(=O)CO WXVL_AK1648SB2706 [0,2,0,0,0,0|1,0,1]=4 628 B11R0.59 C=C(C)CNC(=O)C(C)CCC WXVL_AK0761SB0352 [0,2,0,0,0,0|1,0,0]=3 629 B11R0.59 C=C(C)CNC(=O)C(C)CCC WXVL_AK0761SB0352 [0,2,0,0,0,0|1,0,0]=3 630 B11R0.59 C=C(C)CNC(=O)[C@@H](O)CCC WXVL_AK0761SB3627 [0,2,0,0,0,0|2,0,0]=4 631 B11R0.59 C=C(C)CNC(=O)[C@@H](O)CCC WXVL_AK0761SB3627 [0,2,0,0,0,0|2,0,0]=4 632 B11R0.59 CC(C)OCC(=O)N(C)CCO WXVL_AN2670SB0213 [0,2,0,0,0,0|2,0,0]=4 633 B11R0.59 CC(C)OCC(=O)N(C)CCO WXVL_AN2670SB0213 [0,2,0,0,0,0|2,0,0]=4 634 B11R0.59 CCCC(=O)N(C)CCN(C)C WXVL_AN0052SB0073 [0,2,0,0,0,0|2,0,0]=4 635 B11R0.59 CCCC(=O)N(C)CCN(C)C WXVL_AN0052SB0073 [0,2,0,0,0,0|2,0,0]=4 636 B11R0.59 CCCC(C)C(=O)NCC(=O)N WXVL_AK0147SB0352 [0,2,0,0,0,0|1,0,1]=4 637 B11R0.59 CCCC(C)C(=O)NCC(=O)N WXVL_AK0147SB0352 [0,2,0,0,0,0|1,0,1]=4 638 B11R0.59 CCCC(C)C(=O)NCC(C)C WXVL_AK00544SB0352 [0,2,0,0,0,0|1,0,0]=3 639 B11R0.59 CCCC(C)C(=O)NCC(C)C WXVL_AK00544SB0352 [0,2,0,0,0,0|1,0,0]=3 640 B11R0.59 CCCC(C)C(=O)NCC(C)O WXVL_AK0052SB0352 [0,2,0,0,0,0|1,0,0]=3 641 B11R0.59 CCCC(C)C(=O)NCC(C)O WXVL_AK0052SB0352 [0,2,0,0,0,0|1,0,0]=3 642 B11R0.59 CCCC(C)C(=O)NCC(F)F WXVL_AK0136SB0352 [0,2,0,0,0,0|1,0,0]=3 643 B11R0.59 CCCC(C)C(=O)NCC(F)F WXVL_AK0136SB0352 [0,2,0,0,0,0|1,0,0]=3 644 B11R0.59 CCCC(C)C(=O)NC[C@H](C)O WXVL_AK0113SB0352 [0,2,0,0,0,0|1,0,0]=3 645 B11R0.59 CCCC(C)C(=O)NC[C@H](C)O WXVL_AK0113SB0352 [0,2,0,0,0,0|1,0,0]=3 646 B11R0.59 CCC[C@H](O)C(=O)NCC(C)C WXVL_AK00544SB3627 [0,2,0,0,0,0|2,0,0]=4 647 B11R0.59 CCC[C@H](O)C(=O)NCC(C)C WXVL_AK00544SB3627 [0,2,0,0,0,0|2,0,0]=4 648 B11R0.59 CCC[C@H](O)C(=O)NCC(C)O WXVL_AK0052SB3627 [0,2,0,0,0,0|2,0,0]=4 649 B11R0.59 CCC[C@H](O)C(=O)NCC(C)O WXVL_AK0052SB3627 [0,2,0,0,0,0|2,0,0]=4 650 B11R0.59 CCC[C@H](O)C(=O)NCC(F)F WXVL_AK0136SB3627 [0,2,0,0,0,0|2,0,0]=4 651 B11R0.59 CCC[C@H](O)C(=O)NCC(F)F WXVL_AK0136SB3627 [0,2,0,0,0,0|2,0,0]=4 652 B11R0.59 CCC[C@H](O)C(=O)NC[C@H](C)O WXVL_AK0113SB3627 [0,2,0,0,0,0|2,0,0]=4 653 B11R0.59 CCC[C@H](O)C(=O)NC[C@H](C)O WXVL_AK0113SB3627 [0,2,0,0,0,0|2,0,0]=4 654 B11R0.59 CCOC(=O)C(=O)NCC(C)C WXVL_AK00544SB4144 [0,2,0,0,0,0|1,0,1]=4 655 B11R0.59 CCOC(=O)C(=O)NCC(C)C WXVL_AK00544SB4144 [0,2,0,0,0,0|1,0,1]=4 656 B11R0.59 CCOC(=O)C(=O)NCC(C)O WXVL_AK0052SB4144 [0,2,0,0,0,0|1,0,1]=4 657 B11R0.59 CCOC(=O)C(=O)NCC(C)O WXVL_AK0052SB4144 [0,2,0,0,0,0|1,0,1]=4 658 B11R0.59 CCOC(=O)C(=O)NC[C@H](C)O WXVL_AK0113SB4144 [0,2,0,0,0,0|1,0,1]=4 659 B11R0.59 CCOC(=O)C(=O)NC[C@H](C)O WXVL_AK0113SB4144 [0,2,0,0,0,0|1,0,1]=4 660 B11R0.68 CC(C)CC(O)C(=O)NCCF WXVL_AK00466SB4281 [0,2,0,0,0,0|2,0,0]=4 661 B11R0.68 CC(C)CC(O)C(=O)NCCF WXVL_AK00466SB4281 [0,2,0,0,0,0|2,0,0]=4 662 B11R0.68 CCCCC(O)C(=O)NC(C)C WXVL_AK0030SB3429 [0,2,0,0,0,0|2,0,0]=4 663 B11R0.68 CCCCC(O)C(=O)NC(C)C WXVL_AK0030SB3429 [0,2,0,0,0,0|2,0,0]=4 664 B11R0.68 CCCNC(=O)C(O)CC(C)C WXVL_AK00504SB4281 [0,2,0,0,0,0|2,0,0]=4 665 B11R0.68 CCCNC(=O)C(O)CC(C)C WXVL_AK00504SB4281 [0,2,0,0,0,0|2,0,0]=4 666 B11R0.68 COCCN(C)C(=O)CC(C)C WXVL_AN0085SB0063 [0,2,0,0,0,0|2,0,0]=4 667 B11R0.68 COCCN(C)C(=O)CC(C)C WXVL_AN0085SB0063 [0,2,0,0,0,0|2,0,0]=4 668 B11R0.68 COCCN(C)C(=O)CC(C)O WXVL_AN0085SB3643 [0,2,0,0,0,0|2,0,0]=4 669 B11R0.68 COCCN(C)C(=O)CC(C)O WXVL_AN0085SB3643 [0,2,0,0,0,0|2,0,0]=4 670 B11R0.69 CCOCC(=O)N(CC)CCO WXVL_AN3174SB0091 [0,2,0,0,0,0|2,0,0]=4 671 B11R0.73 CCC(=O)C(=O)N(C)CCOC WXVL_AN0085SB0344 [0,2,0,0,0,0|2,0,0]=4 672 B11R0.73 CCC(=O)C(=O)N(C)CCOC WXVL_AN0085SB0344 [0,2,0,0,0,0|2,0,0]=4 673 B11R0.73 CCC(C)C(=O)N(C)CCOC WXVL_AN0085SB0054 [0,2,0,0,0,0|2,0,0]=4 674 B11R0.73 CCC(C)C(=O)N(C)CCOC WXVL_AN0085SB0054 [0,2,0,0,0,0|2,0,0]=4 675 B11R0.73 CC[C@@H](C)C(=O)N(C)CCOC WXVL_AN0085SB00054 [0,2,0,0,0,0|2,0,0]=4 676 B11R0.73 CC[C@@H](C)C(=O)N(C)CCOC WXVL_AN0085SB00054 [0,2,0,0,0,0|2,0,0]=4 677 B11R0.73 CC[C@H](O)C(=O)N(C)CCOC WXVL_AN0085SB3573 [0,2,0,0,0,0|2,0,0]=4 678 B11R0.73 CC[C@H](O)C(=O)N(C)CCOC WXVL_AN0085SB3573 [0,2,0,0,0,0|2,0,0]=4 679 B11R0.155 C#CCCNC(=O)C(C)CCC WXVL_AK3109SB0352 [0,2,0,0,0,0|1,0,0]=3 680 B11R0.155 C#CCCNC(=O)C(C)CCC WXVL_AK3109SB0352 [0,2,0,0,0,0|1,0,0]=3 681 B11R0.155 C#CCCNC(=O)[C@@H](O)CCC WXVL_AK3109SB3627 [0,2,0,0,0,0|2,0,0]=4 682 B11R0.155 C#CCCNC(=O)[C@@H](O)CCC WXVL_AK3109SB3627 [0,2,0,0,0,0|2,0,0]=4 683 B11R0.155 C=CCCNC(=O)C(C)CCC WXVL_AK00138SB0352 [0,2,0,0,0,0|1,0,0]=3 684 B11R0.155 C=CCCNC(=O)C(C)CCC WXVL_AK00138SB0352 [0,2,0,0,0,0|1,0,0]=3 685 B11R0.155 C=CCCNC(=O)[C@@H](O)CCC WXVL_AK00138SB3627 [0,2,0,0,0,0|2,0,0]=4 686 B11R0.155 C=CCCNC(=O)[C@@H](O)CCC WXVL_AK00138SB3627 [0,2,0,0,0,0|2,0,0]=4 687 B11R0.155 CCCC(C)C(=O)NCCC#N WXVL_AK0087SB0352 [0,2,0,0,0,0|1,0,0]=3 688 B11R0.155 CCCC(C)C(=O)NCCC#N WXVL_AK0087SB0352 [0,2,0,0,0,0|1,0,0]=3 689 B11R0.155 CCCC(C)C(=O)NCCCO WXVL_AK0073SB0352 [0,2,0,0,0,0|1,0,0]=3 690 B11R0.155 CCCC(C)C(=O)NCCCO WXVL_AK0073SB0352 [0,2,0,0,0,0|1,0,0]=3 691 B11R0.155 CCCC(C)C(=O)NCCSC WXVL_AK00440SB0352 [0,2,0,0,0,0|1,0,0]=3 692 B11R0.155 CCCC(C)C(=O)NCCSC WXVL_AK00440SB0352 [0,2,0,0,0,0|1,0,0]=3 693 B11R0.155 CCCCCC(C)C(=O)NCC WXVL_AK00476SB0394 [0,2,0,0,0,0|1,0,0]=3 694 B11R0.155 CCCCCC(C)C(=O)NCC WXVL_AK00476SB0394 [0,2,0,0,0,0|1,0,0]=3 695 B11R0.155 CCCCNC(=O)C(=O)OCC WXVL_AK00588SB4144 [0,2,0,0,0,0|1,0,1]=4 696 B11R0.155 CCCCNC(=O)C(=O)OCC WXVL_AK00588SB4144 [0,2,0,0,0,0|1,0,1]=4 697 B11R0.155 CCCCNC(=O)C(C)CCC WXVL_AK00588SB0352 [0,2,0,0,0,0|1,0,0]=3 698 B11R0.155 CCCCNC(=O)C(C)CCC WXVL_AK00588SB0352 [0,2,0,0,0,0|1,0,0]=3 699 B11R0.155 CCCCNC(=O)[C@@H](O)CCC WXVL_AK00588SB3627 [0,2,0,0,0,0|2,0,0]=4 700 B11R0.155 CCCCNC(=O)[C@@H](O)CCC WXVL_AK00588SB3627 [0,2,0,0,0,0|2,0,0]=4 701 B11R0.155 CCC[C@H](O)C(=O)NCCC#N WXVL_AK0087SB3627 [0,2,0,0,0,0|2,0,0]=4 702 B11R0.155 CCC[C@H](O)C(=O)NCCC#N WXVL_AK0087SB3627 [0,2,0,0,0,0|2,0,0]=4 703 B11R0.155 CCC[C@H](O)C(=O)NCCCO WXVL_AK0073SB3627 [0,2,0,0,0,0|2,0,0]=4 704 B11R0.155 CCC[C@H](O)C(=O)NCCCO WXVL_AK0073SB3627 [0,2,0,0,0,0|2,0,0]=4 705 B11R0.155 CCC[C@H](O)C(=O)NCCSC WXVL_AK00440SB3627 [0,2,0,0,0,0|2,0,0]=4 706 B11R0.155 CCC[C@H](O)C(=O)NCCSC WXVL_AK00440SB3627 [0,2,0,0,0,0|2,0,0]=4 707 B11R0.155 CCO/C=C/C(=O)N(C)CCO WXVL_AN2670SB3226 [0,2,0,0,0,0|2,0,0]=4 708 B11R0.155 CCO/C=C/C(=O)N(C)CCO WXVL_AN2670SB3226 [0,2,0,0,0,0|2,0,0]=4 709 B11R0.155 CCOC(=O)C(=O)NCCCO WXVL_AK0073SB4144 [0,2,0,0,0,0|1,0,1]=4 710 B11R0.155 CCOC(=O)C(=O)NCCCO WXVL_AK0073SB4144 [0,2,0,0,0,0|1,0,1]=4 711 B11R0.155 CCOC(=O)C(=O)NCCSC WXVL_AK00440SB4144 [0,2,0,0,0,0|1,0,1]=4 712 B11R0.155 CCOC(=O)C(=O)NCCSC WXVL_AK00440SB4144 [0,2,0,0,0,0|1,0,1]=4 713 B11R0.56 CCOC(=O)[C@H](CO)NC(=O)C WXVL_AK0757SB0150 [0,2,0,0,0,0|1,0,1]=4 714 B11R0.56 CCOC(=O)[C@H](CO)NC(=O)C WXVL_AK0757SB0150 [0,2,0,0,0,0|1,0,1]=4 715 B11R0.58 CCCC(C)C(=O)N(C)C(C)C WXVL_AN0073SB0352 [0,2,0,0,0,0|1,0,0]=3 716 B11R0.58 CCCC(C)C(=O)N(C)C(C)C WXVL_AN0073SB0352 [0,2,0,0,0,0|1,0,0]=3 717 B11R0.58 CCC[C@H](O)C(=O)N(C)C(C)C WXVL_AN0073SB3627 [0,2,0,0,0,0|2,0,0]=4 718 B11R0.58 CCC[C@H](O)C(=O)N(C)C(C)C WXVL_AN0073SB3627 [0,2,0,0,0,0|2,0,0]=4 719 B11R0.99 CCCC(C)(C)C(=O)NC(C)C WXVL_AK0030SB0372 [0,2,0,0,0,0|1,0,0]=3 720 B11R0.99 CCCC(C)(C)C(=O)NC(C)C WXVL_AK0030SB0372 [0,2,0,0,0,0|1,0,0]=3 721 B11R0.99 CSCC(C)(C)C(=O)NC(C)C WXVL_AK0030SBF473 [0,2,0,0,0,0|2,0,0]=4 722 B11R0.99 CSCC(C)(C)C(=O)NC(C)C WXVL_AK0030SBF473 [0,2,0,0,0,0|2,0,0]=4 723 B11R0.149 CC(=O)N[C@@H](C)C(=O)OC(C)C WXVL_AK0771SB0150 [0,2,0,0,0,0|1,0,1]=4 724 B11R0.149 CC(=O)N[C@@H](C)C(=O)OC(C)C WXVL_AK0771SB0150 [0,2,0,0,0,0|1,0,1]=4 725 B11R0.149 CC(C)CC(O)C(=O)NC(C)C WXVL_AK0030SB4281 [0,2,0,0,0,0|2,0,0]=4 726 B11R0.149 CC(C)CC(O)C(=O)NC(C)C WXVL_AK0030SB4281 [0,2,0,0,0,0|2,0,0]=4 727 B11R0.186 CCCC(C)C(=O)NC(C)(C)C WXVL_AK0024SB0352 [0,2,0,0,0,0|1,0,0]=3 728 B11R0.186 CCCC(C)C(=O)NC(C)(C)C WXVL_AK0024SB0352 [0,2,0,0,0,0|1,0,0]=3 729 B11R0.186 CCC[C@H](O)C(=O)NC(C)(C)C WXVL_AK0024SB3627 [0,2,0,0,0,0|2,0,0]=4 730 B11R0.186 CCC[C@H](O)C(=O)NC(C)(C)C WXVL_AK0024SB3627 [0,2,0,0,0,0|2,0,0]=4 731 B11R0.57 CCCC(=O)N(CCC)C(C)C WXVL_AN7248SB0073 [0,2,0,0,0,0|2,0,0]=4 732 B11R0.61 CCCC(=O)N(CCC)CCC WXVL_AN00632SB0073 [0,2,0,0,0,0|2,0,0]=4 733 B11R0.61 CCCC(CCC)C(=O)NCC WXVL_AK00476SB0056 [0,2,0,0,0,0|1,0,0]=3 734 B11R0.61 CCCC(CCC)C(=O)NCC WXVL_AK00476SB0056 [0,2,0,0,0,0|1,0,0]=3 735 B11R0.179 CCCC(C)C(=O)N(CC)CC WXVL_AN0042SB0352 [0,2,0,0,0,0|1,0,0]=3 736 B11R0.179 CCCC(C)C(=O)N(CC)CC WXVL_AN0042SB0352 [0,2,0,0,0,0|1,0,0]=3 737 B11R0.179 CCC[C@H](O)C(=O)N(CC)CC WXVL_AN0042SB3627 [0,2,0,0,0,0|2,0,0]=4 738 B11R0.179 CCC[C@H](O)C(=O)N(CC)CC WXVL_AN0042SB3627 [0,2,0,0,0,0|2,0,0]=4 739 B11R0.242 CCOC(=O)C(C)(C)C(=O)NC WXVL_AK00442SB2306 [0,2,0,0,0,0|1,0,1]=4 740 B11R0.242 CCOC(=O)C(C)(C)C(=O)NC WXVL_AK00442SB2306 [0,2,0,0,0,0|1,0,1]=4 741 B9R1.73 CCNC(=O)C1CCC1 WXVL_AK00476SB0042 [1,0,0,1,0,0|1,0,0]=3 742 B9R1.73 CCNC(=O)C1CCC1 WXVL_AK00476SB0042 [1,0,0,1,0,0|1,0,0]=3 743 B9R1.75 CCCC(=O)NC1CC1 WXVL_AK0001SB0073 [1,0,0,1,0,0|2,0,0]=4 744 B9R1.75 CCCC(=O)NC1CC1 WXVL_AK0001SB0073 [1,0,0,1,0,0|2,0,0]=4 745 B9R1.75 CCNC(=O)CC1CC1 WXVL_AK00476SB0155 [1,0,0,1,0,0|1,0,0]=3 746 B9R1.75 CCNC(=O)CC1CC1 WXVL_AK00476SB0155 [1,0,0,1,0,0|1,0,0]=3 747 B9R1.100 CCCNC(=O)C1CC1 WXVL_AK00504SB0038 [1,0,0,1,0,0|2,0,0]=4 748 B9R1.100 CCCNC(=O)C1CC1 WXVL_AK00504SB0038 [1,0,0,1,0,0|2,0,0]=4 749 B9R1.183 CCNC(=O)C1CC1C WXVL_AK00476SB0041 [1,0,0,1,0,0|1,0,0]=3 750 B9R1.183 CCNC(=O)C1CC1C WXVL_AK00476SB0041 [1,0,0,1,0,0|1,0,0]=3 751 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK00476SB1245 [1,0,0,1,0,0|2,0,0]=4 752 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK00476SB1245 [1,0,0,1,0,0|2,0,0]=4 753 B9R1.183 CCNC(=O)[C@H]1C[C@H]1F WXVL_AK00476SB00019 [1,0,0,1,0,0|2,0,0]=4 754 B9R1.183 CCNC(=O)[C@H]1C[C@H]1F WXVL_AK00476SB00019 [1,0,0,1,0,0|2,0,0]=4 755 B9R1.11 CCC(=O)N1CCCC1 WXVL_AN0008SB0064 [1,0,0,1,0,0|1,0,0]=3 756 B9R1.11 CCC(=O)N1CCCC1 WXVL_AN0008SB0064 [1,0,0,1,0,0|1,0,0]=3 757 B9R1.11 CNC(=O)C1CCCC1 WXVL_AK00442SB0043 [1,0,0,1,0,0|1,0,0]=3 758 B9R1.11 CNC(=O)C1CCCC1 WXVL_AK00442SB0043 [1,0,0,1,0,0|1,0,0]=3 759 B9R1.11 CNC(=O)C1CCCO1 WXVL_AK00442SB1033 [1,0,0,1,0,0|2,0,0]=4 760 B9R1.11 CNC(=O)C1CCCO1 WXVL_AK00442SB1033 [1,0,0,1,0,0|2,0,0]=4 761 B9R1.11 CNC(=O)C1CCCS1 WXVL_AK00442SB0022 [1,0,0,1,0,0|2,0,0]=4 762 B9R1.11 CNC(=O)C1CCCS1 WXVL_AK00442SB0022 [1,0,0,1,0,0|2,0,0]=4 763 B9R1.11 CNC(=O)[C@H]1CCCO1 WXVL_AK00442SB00043 [1,0,0,1,0,0|2,0,0]=4 764 B9R1.11 CNC(=O)[C@H]1CCCO1 WXVL_AK00442SB00043 [1,0,0,1,0,0|2,0,0]=4 765 B9R1.11 O=C(CO)N1CCCC1 WXVL_AN0008SB2706 [1,0,0,1,0,0|2,0,0]=4 766 B9R1.11 O=C(CO)N1CCCC1 WXVL_AN0008SB2706 [1,0,0,1,0,0|2,0,0]=4 767 B9R1.74 CCNC(=O)C1(CC1)Br WXVL_AK00476SB5517 [1,0,0,1,0,0|2,0,0]=4 768 B9R1.74 CCNC(=O)C1(CC1)Br WXVL_AK00476SB5517 [1,0,0,1,0,0|2,0,0]=4 769 B9R1.74 CCNC(=O)C1(CC1)C WXVL_AK00476SB0040 [1,0,0,1,0,0|1,0,0]=3 770 B9R1.74 CCNC(=O)C1(CC1)C WXVL_AK00476SB0040 [1,0,0,1,0,0|1,0,0]=3 771 B9R1.74 CCNC(=O)C1(CC1)F WXVL_AK00476SB0218 [1,0,0,1,0,0|2,0,0]=4 772 B9R1.74 CCNC(=O)C1(CC1)F WXVL_AK00476SB0218 [1,0,0,1,0,0|2,0,0]=4 773 B9R1.74 CCNC(=O)C1(CC1)O WXVL_AK00476SB2965 [1,0,0,1,0,0|2,0,0]=4 774 B9R1.74 CCNC(=O)C1(CC1)O WXVL_AK00476SB2965 [1,0,0,1,0,0|2,0,0]=4 775 B9R1.82 CC1CN(C1)C(=O)CO WXVL_AN0291SB2706 [1,0,0,1,0,0|2,0,0]=4 776 B9R1.82 CC1CN(C1)C(=O)CO WXVL_AN0291SB2706 [1,0,0,1,0,0|2,0,0]=4 777 B9R1.82 CCC(=O)N1CC(C1)C WXVL_AN0291SB0064 [1,0,0,1,0,0|1,0,0]=3 778 B9R1.82 CCC(=O)N1CC(C1)C WXVL_AN0291SB0064 [1,0,0,1,0,0|1,0,0]=3 779 B9R1.82 CCC(=O)N1CC(C1)O WXVL_AN0284SB0064 [1,0,0,1,0,0|2,0,0]=4 780 B9R1.82 CCC(=O)N1CC(C1)O WXVL_AN0284SB0064 [1,0,0,1,0,0|2,0,0]=4 781 B9R1.82 CNC(=O)C1CN(C1)C WXVL_AK00442SB0021 [1,0,0,1,0,0|2,0,0]=4 782 B9R1.82 CNC(=O)C1CN(C1)C WXVL_AK00442SB0021 [1,0,0,1,0,0|2,0,0]=4 783 B9R1.82 CNC(=O)[C@H]1C[C@@H](C1)O WXVL_AK00442SB3648 [1,0,0,1,0,0|2,0,0]=4 784 B9R1.82 CNC(=O)[C@H]1C[C@@H](C1)O WXVL_AK00442SB3648 [1,0,0,1,0,0|2,0,0]=4 785 B9R1.82 CNC(=O)[C@H]1C[C@H](C1)O WXVL_AK00442SB0837 [1,0,0,1,0,0|2,0,0]=4 786 B9R1.82 CNC(=O)[C@H]1C[C@H](C1)O WXVL_AK00442SB0837 [1,0,0,1,0,0|2,0,0]=4 787 B9R1.101 CCC(=O)N(C)C1CC1 WXVL_AN0276SB0064 [1,0,0,1,0,0|1,0,0]=3 788 B9R1.101 CCC(=O)N(C)C1CC1 WXVL_AN0276SB0064 [1,0,0,1,0,0|1,0,0]=3 789 B9R1.101 CN(C(=O)CO)C1CC1 WXVL_AN0276SB2706 [1,0,0,1,0,0|2,0,0]=4 790 B9R1.101 CN(C(=O)CO)C1CC1 WXVL_AN0276SB2706 [1,0,0,1,0,0|2,0,0]=4 791 B9R1.186 CNC(=O)C1(CCC1)Br WXVL_AK00442SB0465 [1,0,0,1,0,0|2,0,0]=4 792 B9R1.186 CNC(=O)C1(CCC1)Br WXVL_AK00442SB0465 [1,0,0,1,0,0|2,0,0]=4 793 B9R1.186 CNC(=O)C1(CCC1)C WXVL_AK00442SB0805 [1,0,0,1,0,0|1,0,0]=3 794 B9R1.186 CNC(=O)C1(CCC1)C WXVL_AK00442SB0805 [1,0,0,1,0,0|1,0,0]=3 795 B9R1.186 CNC(=O)C1(CCC1)F WXVL_AK00442SB0033 [1,0,0,1,0,0|2,0,0]=4 796 B9R1.186 CNC(=O)C1(CCC1)F WXVL_AK00442SB0033 [1,0,0,1,0,0|2,0,0]=4 797 B9R1.186 CNC(=O)C1(COC1)C WXVL_AK00442SB0214 [1,0,0,1,0,0|2,0,0]=4 798 B9R1.186 CNC(=O)C1(COC1)C WXVL_AK00442SB0214 [1,0,0,1,0,0|2,0,0]=4 799 B11R1.30 CCNC(=O)CC1CCCC1 WXVL_AK00476SB0044 [0,0,0,1,0,1|1,0,0]=3 800 B11R1.30 CCNC(=O)CC1CCCC1 WXVL_AK00476SB0044 [0,0,0,1,0,1|1,0,0]=3 801 B11R1.30 CCNC(=O)CN1CCCC1 WXVL_AK00476SB0201 [0,0,0,1,0,1|2,0,0]=4 802 B11R1.30 CCNC(=O)CN1CCCC1 WXVL_AK00476SB0201 [0,0,0,1,0,1|2,0,0]=4 803 B11R1.199 C/C=C/C(=O)N1CCC[C@H]1C WXVL_AN00593SB0340 [0,0,0,1,0,1|1,0,1]=4 804 B11R1.199 CC#CC(=O)N1CCC[C@H]1C WXVL_AN00593SB1240 [0,0,0,1,0,1|1,0,1]=4 805 B11R1.199 CCCC(=O)N1CCC[C@H]1C WXVL_AN00593SB0073 [0,0,0,1,0,1|1,0,0]=3 806 B11R1.199 CCNC(=O)C1CCCC1C WXVL_AK00476SB0904 [0,0,0,1,0,1|1,0,0]=3 807 B11R1.199 CCNC(=O)C1CCCC1C WXVL_AK00476SB0904 [0,0,0,1,0,1|1,0,0]=3 808 B11R1.199 CCNC(=O)[C@@H]1CCCN1C WXVL_AK00476SB1197 [0,0,0,1,0,1|2,0,0]=4 809 B11R1.199 CCNC(=O)[C@@H]1CCCN1C WXVL_AK00476SB1197 [0,0,0,1,0,1|2,0,0]=4 810 B11R1.199 COCC(=O)N1CCC[C@H]1C WXVL_AN00593SB0090 [0,0,0,1,0,1|2,0,0]=4 811 B11R1.199 CSCC(=O)N1CCC[C@H]1C WXVL_AN00593SB1267 [0,0,0,1,0,1|2,0,0]=4 812 B11R1.201 C/C=C/C(=O)NC1CC(C1)C WXVL_AK0309SB0340 [0,0,0,1,0,1|1,0,1]=4 813 B11R1.201 C/C=C/C(=O)NC1CC(C1)C WXVL_AK0309SB0340 [0,0,0,1,0,1|1,0,1]=4 814 B11R1.201 CC#CC(=O)NC1CC(C1)C WXVL_AK0309SB1240 [0,0,0,1,0,1|1,0,1]=4 815 B11R1.201 CC#CC(=O)NC1CC(C1)C WXVL_AK0309SB1240 [0,0,0,1,0,1|1,0,1]=4 816 B11R1.201 CCCC(=O)NC1CC(C1)C WXVL_AK0309SB0073 [0,0,0,1,0,1|1,0,0]=3 817 B11R1.201 CCCC(=O)NC1CC(C1)C WXVL_AK0309SB0073 [0,0,0,1,0,1|1,0,0]=3 818 B11R1.201 CCCC(=O)NC1CC(C1)F WXVL_AK0307SB0073 [0,0,0,1,0,1|2,0,0]=4 819 B11R1.201 CCCC(=O)NC1CC(C1)F WXVL_AK0307SB0073 [0,0,0,1,0,1|2,0,0]=4 820 B11R1.201 CCCC(=O)NC1CC(C1)O WXVL_AK0306SB0073 [0,0,0,1,0,1|2,0,0]=4 821 B11R1.201 CCCC(=O)NC1CC(C1)O WXVL_AK0306SB0073 [0,0,0,1,0,1|2,0,0]=4 822 B11R1.201 CCCC(=O)NC1CN(C1)C WXVL_AK1377SB0073 [0,0,0,1,0,1|2,0,0]=4 823 B11R1.201 CCCC(=O)NC1CN(C1)C WXVL_AK1377SB0073 [0,0,0,1,0,1|2,0,0]=4 824 B11R1.201 CCCC(=O)N[C@H]1C[C@H](C1)O WXVL_AK1397SB0073 [0,0,0,1,0,1|2,0,0]=4 825 B11R1.201 CCCC(=O)N[C@H]1C[C@H](C1)O WXVL_AK1397SB0073 [0,0,0,1,0,1|2,0,0]=4 826 B11R1.201 COCC(=O)NC1CC(C1)C WXVL_AK0309SB0090 [0,0,0,1,0,1|2,0,0]=4 827 B11R1.201 COCC(=O)NC1CC(C1)C WXVL_AK0309SB0090 [0,0,0,1,0,1|2,0,0]=4 828 B11R1.201 CSCC(=O)NC1CC(C1)C WXVL_AK0309SB1267 [0,0,0,1,0,1|2,0,0]=4 829 B11R1.201 CSCC(=O)NC1CC(C1)C WXVL_AK0309SB1267 [0,0,0,1,0,1|2,0,0]=4 830 B11R1.334 C/C=C/C(=O)NC(C)C1CC1 WXVL_AK00200SB0340 [0,0,0,1,0,1|1,0,1]=4 831 B11R1.334 C/C=C/C(=O)NC(C)C1CC1 WXVL_AK00200SB0340 [0,0,0,1,0,1|1,0,1]=4 832 B11R1.334 C/C=C/C(=O)N[C@@H](C)C1CC1 WXVL_AK0484SB0340 [0,0,0,1,0,1|1,0,1]=4 833 B11R1.334 C/C=C/C(=O)N[C@@H](C)C1CC1 WXVL_AK0484SB0340 [0,0,0,1,0,1|1,0,1]=4 834 B11R1.334 CC#CC(=O)NC(C)C1CC1 WXVL_AK00200SB1240 [0,0,0,1,0,1|1,0,1]=4 835 B11R1.334 CC#CC(=O)NC(C)C1CC1 WXVL_AK00200SB1240 [0,0,0,1,0,1|1,0,1]=4 836 B11R1.334 CC#CC(=O)N[C@@H](C)C1CC1 WXVL_AK0484SB1240 [0,0,0,1,0,1|1,0,1]=4 837 B11R1.334 CC#CC(=O)N[C@@H](C)C1CC1 WXVL_AK0484SB1240 [0,0,0,1,0,1|1,0,1]=4 838 B11R1.334 CC(CCO)NC(=O)C1CC1 WXVL_AK1288SB0038 [0,0,0,1,0,1|2,0,0]=4 839 B11R1.334 CC(CCO)NC(=O)C1CC1 WXVL_AK1288SB0038 [0,0,0,1,0,1|2,0,0]=4 840 B11R1.334 CCCC(=O)NC(C)C1CC1 WXVL_AK00200SB0073 [0,0,0,1,0,1|1,0,0]=3 841 B11R1.334 CCCC(=O)NC(C)C1CC1 WXVL_AK00200SB0073 [0,0,0,1,0,1|1,0,0]=3 842 B11R1.334 CCCC(=O)N[C@@H](C)C1CC1 WXVL_AK0484SB0073 [0,0,0,1,0,1|1,0,0]=3 843 B11R1.334 CCCC(=O)N[C@@H](C)C1CC1 WXVL_AK0484SB0073 [0,0,0,1,0,1|1,0,0]=3 844 B11R1.334 CCC[C@H](C)NC(=O)C1CC1 WXVL_AK00682SB0038 [0,0,0,1,0,1|1,0,0]=3 845 B11R1.334 CCC[C@H](C)NC(=O)C1CC1 WXVL_AK00682SB0038 [0,0,0,1,0,1|1,0,0]=3 846 B11R1.334 COCC(=O)NC(C)C1CC1 WXVL_AK00200SB0090 [0,0,0,1,0,1|2,0,0]=4 847 B11R1.334 COCC(=O)NC(C)C1CC1 WXVL_AK00200SB0090 [0,0,0,1,0,1|2,0,0]=4 848 B11R1.334 COCC(=O)N[C@@H](C)C1CC1 WXVL_AK0484SB0090 [0,0,0,1,0,1|2,0,0]=4 849 B11R1.334 COCC(=O)N[C@@H](C)C1CC1 WXVL_AK0484SB0090 [0,0,0,1,0,1|2,0,0]=4 850 B11R1.334 COC[C@@H](C)NC(=O)C1CC1 WXVL_AK00613SB0038 [0,0,0,1,0,1|2,0,0]=4 851 B11R1.334 COC[C@@H](C)NC(=O)C1CC1 WXVL_AK00613SB0038 [0,0,0,1,0,1|2,0,0]=4 852 B11R1.334 COC[C@H](C)NC(=O)C1CC1 WXVL_AK0137SB0038 [0,0,0,1,0,1|2,0,0]=4 853 B11R1.334 COC[C@H](C)NC(=O)C1CC1 WXVL_AK0137SB0038 [0,0,0,1,0,1|2,0,0]=4 854 B11R1.334 CSCC(=O)NC(C)C1CC1 WXVL_AK00200SB1267 [0,0,0,1,0,1|2,0,0]=4 855 B11R1.334 CSCC(=O)NC(C)C1CC1 WXVL_AK00200SB1267 [0,0,0,1,0,1|2,0,0]=4 856 B11R1.334 CSCC(=O)N[C@@H](C)C1CC1 WXVL_AK0484SB1267 [0,0,0,1,0,1|2,0,0]=4 857 B11R1.334 CSCC(=O)N[C@@H](C)C1CC1 WXVL_AK0484SB1267 [0,0,0,1,0,1|2,0,0]=4 858 B11R1.840 CCNC(=O)CC1(CCC1)O WXVL_AK00476SB0026 [0,0,0,1,0,1|2,0,0]=4 859 B11R1.840 CCNC(=O)CC1(CCC1)O WXVL_AK00476SB0026 [0,0,0,1,0,1|2,0,0]=4 860 B11R1.15 CCCC(=O)N1CCC(C1)Br WXVL_AN00715SB0073 [0,1,0,1,0,0|2,0,0]=4 861 B11R1.15 CCCC(=O)N1CCC(C1)C WXVL_AN0556SB0073 [0,1,0,1,0,0|2,0,0]=4 862 B11R1.15 CCCC(=O)N1CCC(C1)C WXVL_AN0556SB0073 [0,1,0,1,0,0|2,0,0]=4 863 B11R1.15 CCCC(=O)N1CCC(C1)F WXVL_AN00338SB0073 [0,1,0,1,0,0|2,0,0]=4 864 B11R1.15 CCCC(=O)N1CCC(C1)F WXVL_AN00338SB0073 [0,1,0,1,0,0|2,0,0]=4 865 B11R1.15 CCCC(=O)N1CCC(C1)O WXVL_AN0158SB0073 [0,1,0,1,0,0|2,0,0]=4 866 B11R1.15 CCCC(=O)N1CCC(C1)O WXVL_AN0158SB0073 [0,1,0,1,0,0|2,0,0]=4 867 B11R1.15 CCCC(=O)N1CC[C@@H](C1)C WXVL_AN00094SB0073 [0,1,0,1,0,0|2,0,0]=4 868 B11R1.15 CCCC(=O)N1CC[C@@H](C1)C WXVL_AN00094SB0073 [0,1,0,1,0,0|2,0,0]=4 869 B11R1.15 CCCC(=O)N1CC[C@@H](C1)O WXVL_AN00391SB0073 [0,1,0,1,0,0|2,0,0]=4 870 B11R1.15 CCCC(=O)N1CC[C@@H](C1)O WXVL_AN00391SB0073 [0,1,0,1,0,0|2,0,0]=4 871 B11R1.15 CCCC(=O)N1CC[C@H](C1)C WXVL_AN00488SB0073 [0,1,0,1,0,0|2,0,0]=4 872 B11R1.15 CCCC(=O)N1CC[C@H](C1)C WXVL_AN00488SB0073 [0,1,0,1,0,0|2,0,0]=4 873 B11R1.15 CCCC(=O)N1CC[C@H](C1)F WXVL_AN00035SB0073 [0,1,0,1,0,0|2,0,0]=4 874 B11R1.15 CCCC(=O)N1CC[C@H](C1)F WXVL_AN00035SB0073 [0,1,0,1,0,0|2,0,0]=4 875 B11R1.15 CCCC(=O)N1CC[C@H](C1)O WXVL_AN00543SB0073 [0,1,0,1,0,0|2,0,0]=4 876 B11R1.15 CCNC(=O)C1CCN(C1)C WXVL_AK00476SB1540 [0,1,0,1,0,0|1,0,0]=3 877 B11R1.15 CCNC(=O)C1CCN(C1)C WXVL_AK00476SB1540 [0,1,0,1,0,0|1,0,0]=3 878 B11R1.15 CCNC(=O)[C@@H]1C[C@@H](CN1)O WXVL_AK00476SB00007 [0,1,0,1,0,0|2,0,0]=4 879 B11R1.15 CCNC(=O)[C@@H]1C[C@@H](CN1)O WXVL_AK00476SB00007 [0,1,0,1,0,0|2,0,0]=4 880 B11R1.15 CCNC(=O)[C@H]1CC[C@H](O1)C WXVL_AK00476SB0853 [0,1,0,1,0,0|2,0,0]=4 881 B11R1.15 CCNC(=O)[C@H]1CC[C@H](O1)C WXVL_AK00476SB0853 [0,1,0,1,0,0|2,0,0]=4 882 B11R1.16 CCCC(=O)N1CCOCC1 WXVL_AN00478SB0073 [0,1,0,1,0,0|2,0,0]=4 883 B11R1.16 CCCC(=O)N1CCOCC1 WXVL_AN00478SB0073 [0,1,0,1,0,0|2,0,0]=4 884 B11R1.16 CCCC(=O)N1CCSCC1 WXVL_AN0896SB0073 [0,1,0,1,0,0|2,0,0]=4 885 B11R1.16 CCNC(=O)C1CC=CCC1 WXVL_AK00476SB3640 [0,1,0,1,0,0|1,0,1]=4 886 B11R1.16 CCNC(=O)C1CC=CCC1 WXVL_AK00476SB3640 [0,1,0,1,0,0|1,0,1]=4 887 B11R1.16 CCNC(=O)C1CCCCC1 WXVL_AK00476SB0047 [0,1,0,1,0,0|1,0,0]=3 888 B11R1.16 CCNC(=O)C1CCCCC1 WXVL_AK00476SB0047 [0,1,0,1,0,0|1,0,0]=3 889 B11R1.16 CCNC(=O)C1CCCCO1 WXVL_AK00476SB0206 [0,1,0,1,0,0|1,0,0]=3 890 B11R1.16 CCNC(=O)C1CCCCO1 WXVL_AK00476SB0206 [0,1,0,1,0,0|1,0,0]=3 891 B11R1.16 CCNC(=O)C1CCOCC1 WXVL_AK00476SB0149 [0,1,0,1,0,0|1,0,0]=3 892 B11R1.16 CCNC(=O)C1CCOCC1 WXVL_AK00476SB0149 [0,1,0,1,0,0|1,0,0]=3 893 B11R1.16 CCNC(=O)C1CCSCC1 WXVL_AK00476SB0752 [0,1,0,1,0,0|1,0,0]=3 894 B11R1.16 CCNC(=O)C1CCSCC1 WXVL_AK00476SB0752 [0,1,0,1,0,0|1,0,0]=3 895 B11R1.16 CCNC(=O)[C@H]1CCCCO1 WXVL_AK00476SB00044 [0,1,0,1,0,0|1,0,0]=3 896 B11R1.16 CCNC(=O)[C@H]1CCCCO1 WXVL_AK00476SB00044 [0,1,0,1,0,0|1,0,0]=3 897 B11R1.29 C=CCNC(=O)C1CCCC1 WXVL_AK00561SB0043 [0,1,0,1,0,0|1,0,1]=4 898 B11R1.29 C=CCNC(=O)C1CCCC1 WXVL_AK00561SB0043 [0,1,0,1,0,0|1,0,1]=4 899 B11R1.29 CCCNC(=O)C1CCCC1 WXVL_AK00504SB0043 [0,1,0,1,0,0|1,0,0]=3 900 B11R1.29 CCCNC(=O)C1CCCC1 WXVL_AK00504SB0043 [0,1,0,1,0,0|1,0,0]=3 901 B11R1.29 CCCNC(=O)C1CCCO1 WXVL_AK00504SB1033 [0,1,0,1,0,0|2,0,0]=4 902 B11R1.29 CCCNC(=O)C1CCCO1 WXVL_AK00504SB1033 [0,1,0,1,0,0|2,0,0]=4 903 B11R1.29 CCCNC(=O)C1CCCS1 WXVL_AK00504SB0022 [0,1,0,1,0,0|2,0,0]=4 904 B11R1.29 CCCNC(=O)C1CCCS1 WXVL_AK00504SB0022 [0,1,0,1,0,0|2,0,0]=4 905 B11R1.29 CCCNC(=O)[C@H]1CCCO1 WXVL_AK00504SB00043 [0,1,0,1,0,0|2,0,0]=4 906 B11R1.29 CCCNC(=O)[C@H]1CCCO1 WXVL_AK00504SB00043 [0,1,0,1,0,0|2,0,0]=4 907 B11R1.29 CCOCC(=O)N1CCCC1 WXVL_AN0008SB0091 [0,1,0,1,0,0|1,0,0]=3 908 B11R1.29 CCOCC(=O)N1CCCC1 WXVL_AN0008SB0091 [0,1,0,1,0,0|1,0,0]=3 909 B11R1.29 CCSCC(=O)N1CCCC1 WXVL_AN0008SB0002 [0,1,0,1,0,0|1,1,0]=4 910 B11R1.29 CCSCC(=O)N1CCCC1 WXVL_AN0008SB0002 [0,1,0,1,0,0|1,1,0]=4 911 B11R1.29 COCCC(=O)N1CCCC1 WXVL_AN0008SB0156 [0,1,0,1,0,0|2,0,0]=4 912 B11R1.29 COCCC(=O)N1CCCC1 WXVL_AN0008SB0156 [0,1,0,1,0,0|2,0,0]=4 913 B11R1.29 CSCCC(=O)N1CCCC1 WXVL_AN0008SB0361 [0,1,0,1,0,0|2,0,0]=4 914 B11R1.29 CSCCC(=O)N1CCCC1 WXVL_AN0008SB0361 [0,1,0,1,0,0|2,0,0]=4 915 B11R1.29 N#CCNC(=O)C1CCCC1 WXVL_AK0683SB0043 [0,1,0,1,0,0|1,0,1]=4 916 B11R1.29 N#CCNC(=O)C1CCCC1 WXVL_AK0683SB0043 [0,1,0,1,0,0|1,0,1]=4 917 B11R1.29 O=C(NCCCl)N1CCCC1 WXVL_AN0008YV0092 [0,1,0,1,0,0|2,0,0]=4 918 B11R1.29 O=C(NCCCl)N1CCCC1 WXVL_AN0008YV0092 [0,1,0,1,0,0|2,0,0]=4 919 B11R1.29 O=C(NCCF)C1CCCC1 WXVL_AK00466SB0043 [0,1,0,1,0,0|1,0,0]=3 920 B11R1.29 O=C(NCCF)C1CCCC1 WXVL_AK00466SB0043 [0,1,0,1,0,0|1,0,0]=3 921 B11R1.29 O=C(NCCF)C1CCCO1 WXVL_AK00466SB1033 [0,1,0,1,0,0|2,0,0]=4 922 B11R1.29 O=C(NCCF)C1CCCO1 WXVL_AK00466SB1033 [0,1,0,1,0,0|2,0,0]=4 923 B11R1.29 O=C(NCCF)C1CCCS1 WXVL_AK00466SB0022 [0,1,0,1,0,0|2,0,0]=4 924 B11R1.29 O=C(NCCF)C1CCCS1 WXVL_AK00466SB0022 [0,1,0,1,0,0|2,0,0]=4 925 B11R1.29 O=C(NCCF)[C@H]1CCCO1 WXVL_AK00466SB00043 [0,1,0,1,0,0|2,0,0]=4 926 B11R1.29 O=C(NCCF)[C@H]1CCCO1 WXVL_AK00466SB00043 [0,1,0,1,0,0|2,0,0]=4 927 B11R1.287 CC1CN(C1)C(=O)NCCCl WXVL_AN0291YV0092 [0,1,0,1,0,0|2,0,0]=4 928 B11R1.287 CC1CN(C1)C(=O)NCCCl WXVL_AN0291YV0092 [0,1,0,1,0,0|2,0,0]=4 929 B11R1.287 CCCNC(=O)C1CN(C1)C WXVL_AK00504SB0021 [0,1,0,1,0,0|2,0,0]=4 930 B11R1.287 CCCNC(=O)C1CN(C1)C WXVL_AK00504SB0021 [0,1,0,1,0,0|2,0,0]=4 931 B11R1.287 CCCNC(=O)[C@H]1C[C@@H](C1)O WXVL_AK00504SB3648 [0,1,0,1,0,0|2,0,0]=4 932 B11R1.287 CCCNC(=O)[C@H]1C[C@@H](C1)O WXVL_AK00504SB3648 [0,1,0,1,0,0|2,0,0]=4 933 B11R1.287 CCCNC(=O)[C@H]1C[C@H](C1)O WXVL_AK00504SB0837 [0,1,0,1,0,0|2,0,0]=4 934 B11R1.287 CCCNC(=O)[C@H]1C[C@H](C1)O WXVL_AK00504SB0837 [0,1,0,1,0,0|2,0,0]=4 935 B11R1.287 CCOCC(=O)N1CC(C1)C WXVL_AN0291SB0091 [0,1,0,1,0,0|1,0,0]=3 936 B11R1.287 CCOCC(=O)N1CC(C1)C WXVL_AN0291SB0091 [0,1,0,1,0,0|1,0,0]=3 937 B11R1.287 CCOCC(=O)N1CC(C1)O WXVL_AN0284SB0091 [0,1,0,1,0,0|2,0,0]=4 938 B11R1.287 CCOCC(=O)N1CC(C1)O WXVL_AN0284SB0091 [0,1,0,1,0,0|2,0,0]=4 939 B11R1.287 CCSCC(=O)N1CC(C1)C WXVL_AN0291SB0002 [0,1,0,1,0,0|1,1,0]=4 940 B11R1.287 CCSCC(=O)N1CC(C1)C WXVL_AN0291SB0002 [0,1,0,1,0,0|1,1,0]=4 941 B11R1.287 CN1CC(C1)C(=O)NCCF WXVL_AK00466SB0021 [0,1,0,1,0,0|2,0,0]=4 942 B11R1.287 CN1CC(C1)C(=O)NCCF WXVL_AK00466SB0021 [0,1,0,1,0,0|2,0,0]=4 943 B11R1.287 COCCC(=O)N1CC(C1)C WXVL_AN0291SB0156 [0,1,0,1,0,0|2,0,0]=4 944 B11R1.287 COCCC(=O)N1CC(C1)C WXVL_AN0291SB0156 [0,1,0,1,0,0|2,0,0]=4 945 B11R1.287 CSCCC(=O)N1CC(C1)C WXVL_AN0291SB0361 [0,1,0,1,0,0|2,0,0]=4 946 B11R1.287 CSCCC(=O)N1CC(C1)C WXVL_AN0291SB0361 [0,1,0,1,0,0|2,0,0]=4 947 B11R1.287 O=C(NCCF)[C@H]1C[C@@H](C1)O WXVL_AK00466SB3648 [0,1,0,1,0,0|2,0,0]=4 948 B11R1.287 O=C(NCCF)[C@H]1C[C@@H](C1)O WXVL_AK00466SB3648 [0,1,0,1,0,0|2,0,0]=4 949 B11R1.287 O=C(NCCF)[C@H]1C[C@H](C1)O WXVL_AK00466SB0837 [0,1,0,1,0,0|2,0,0]=4 950 B11R1.287 O=C(NCCF)[C@H]1C[C@H](C1)O WXVL_AK00466SB0837 [0,1,0,1,0,0|2,0,0]=4 951 B11R1.351 CCCC(C)C(=O)NC1CC1 WXVL_AK0001SB0352 [0,1,0,1,0,0|1,0,0]=3 952 B11R1.351 CCCC(C)C(=O)NC1CC1 WXVL_AK0001SB0352 [0,1,0,1,0,0|1,0,0]=3 953 B11R1.351 CCC[C@H](O)C(=O)NC1CC1 WXVL_AK0001SB3627 [0,1,0,1,0,0|2,0,0]=4 954 B11R1.351 CCC[C@H](O)C(=O)NC1CC1 WXVL_AK0001SB3627 [0,1,0,1,0,0|2,0,0]=4 955 B11R1.351 CCOC(=O)C(=O)NC1CC1 WXVL_AK0001SB4144 [0,1,0,1,0,0|1,0,1]=4 956 B11R1.351 CCOC(=O)C(=O)NC1CC1 WXVL_AK0001SB4144 [0,1,0,1,0,0|1,0,1]=4 957 B11R1.526 CCOCC(=O)N(C)C1CC1 WXVL_AN0276SB0091 [0,1,0,1,0,0|1,0,0]=3 958 B11R1.526 CCOCC(=O)N(C)C1CC1 WXVL_AN0276SB0091 [0,1,0,1,0,0|1,0,0]=3 959 B11R1.526 CCSCC(=O)N(C)C1CC1 WXVL_AN0276SB0002 [0,1,0,1,0,0|1,1,0]=4 960 B11R1.526 CCSCC(=O)N(C)C1CC1 WXVL_AN0276SB0002 [0,1,0,1,0,0|1,1,0]=4 961 B11R1.526 CN(C(=O)NCCCl)C1CC1 WXVL_AN0276YV0092 [0,1,0,1,0,0|2,0,0]=4 962 B11R1.526 CN(C(=O)NCCCl)C1CC1 WXVL_AN0276YV0092 [0,1,0,1,0,0|2,0,0]=4 963 B11R1.526 COCCC(=O)N(C)C1CC1 WXVL_AN0276SB0156 [0,1,0,1,0,0|2,0,0]=4 964 B11R1.526 COCCC(=O)N(C)C1CC1 WXVL_AN0276SB0156 [0,1,0,1,0,0|2,0,0]=4 965 B11R1.526 COCCN(C)C(=O)C1CC1 WXVL_AN0085SB0038 [0,1,0,1,0,0|2,0,0]=4 966 B11R1.526 COCCN(C)C(=O)C1CC1 WXVL_AN0085SB0038 [0,1,0,1,0,0|2,0,0]=4 967 B11R1.526 CSCCC(=O)N(C)C1CC1 WXVL_AN0276SB0361 [0,1,0,1,0,0|2,0,0]=4 968 B11R1.526 CSCCC(=O)N(C)C1CC1 WXVL_AN0276SB0361 [0,1,0,1,0,0|2,0,0]=4 969 B11R1.819 CCNC(=O)C1(CCCC1)C WXVL_AK00476SB0209 [0,1,0,1,0,0|1,0,0]=3 970 B11R1.819 CCNC(=O)C1(CCCC1)C WXVL_AK00476SB0209 [0,1,0,1,0,0|1,0,0]=3 971 B11R1.819 CCNC(=O)[C@]1(CCCN1)C WXVL_AK00476SB00033 [0,1,0,1,0,0|1,0,0]=3 972 B11R1.819 CCNC(=O)[C@]1(CCCN1)C WXVL_AK00476SB00033 [0,1,0,1,0,0|1,0,0]=3 973 B11R1.996 C=CCNC(=O)C1(CCC1)C WXVL_AK00561SB0805 [0,1,0,1,0,0|1,0,1]=4 974 B11R1.996 C=CCNC(=O)C1(CCC1)C WXVL_AK00561SB0805 [0,1,0,1,0,0|1,0,1]=4 975 B11R1.996 CC1(CCC1)C(=O)NCC#N WXVL_AK0683SB0805 [0,1,0,1,0,0|1,0,1]=4 976 B11R1.996 CC1(CCC1)C(=O)NCC#N WXVL_AK0683SB0805 [0,1,0,1,0,0|1,0,1]=4 977 B11R1.996 CC1(CCC1)C(=O)NCCF WXVL_AK00466SB0805 [0,1,0,1,0,0|1,0,0]=3 978 B11R1.996 CC1(CCC1)C(=O)NCCF WXVL_AK00466SB0805 [0,1,0,1,0,0|1,0,0]=3 979 B11R1.996 CC1(COC1)C(=O)NCCF WXVL_AK00466SB0214 [0,1,0,1,0,0|2,0,0]=4 980 B11R1.996 CC1(COC1)C(=O)NCCF WXVL_AK00466SB0214 [0,1,0,1,0,0|2,0,0]=4 981 B11R1.996 CCCNC(=O)C1(CCC1)Br WXVL_AK00504SB0465 [0,1,0,1,0,0|2,0,0]=4 982 B11R1.996 CCCNC(=O)C1(CCC1)Br WXVL_AK00504SB0465 [0,1,0,1,0,0|2,0,0]=4 983 B11R1.996 CCCNC(=O)C1(CCC1)C WXVL_AK00504SB0805 [0,1,0,1,0,0|1,0,0]=3 984 B11R1.996 CCCNC(=O)C1(CCC1)C WXVL_AK00504SB0805 [0,1,0,1,0,0|1,0,0]=3 985 B11R1.996 CCCNC(=O)C1(CCC1)F WXVL_AK00504SB0033 [0,1,0,1,0,0|2,0,0]=4 986 B11R1.996 CCCNC(=O)C1(CCC1)F WXVL_AK00504SB0033 [0,1,0,1,0,0|2,0,0]=4 987 B11R1.996 CCCNC(=O)C1(COC1)C WXVL_AK00504SB0214 [0,1,0,1,0,0|2,0,0]=4 988 B11R1.996 CCCNC(=O)C1(COC1)C WXVL_AK00504SB0214 [0,1,0,1,0,0|2,0,0]=4 989 B11R1.996 O=C(NCCF)C1(CCC1)Br WXVL_AK00466SB0465 [0,1,0,1,0,0|2,0,0]=4 990 B11R1.996 O=C(NCCF)C1(CCC1)Br WXVL_AK00466SB0465 [0,1,0,1,0,0|2,0,0]=4 991 B11R1.996 O=C(NCCF)C1(CCC1)F WXVL_AK00466SB0033 [0,1,0,1,0,0|2,0,0]=4 992 B11R1.996 O=C(NCCF)C1(CCC1)F WXVL_AK00466SB0033 [0,1,0,1,0,0|2,0,0]=4 993 B11R1.77 CC(C)CC(=O)N1CCCC1 WXVL_AN0008SB0063 [0,1,0,1,0,0|2,0,0]=4 994 B11R1.77 CC(C)CC(=O)N1CCCC1 WXVL_AN0008SB0063 [0,1,0,1,0,0|2,0,0]=4 995 B11R1.77 CC(C)NC(=O)C1CCCC1 WXVL_AK0030SB0043 [0,1,0,1,0,0|1,0,0]=3 996 B11R1.77 CC(C)NC(=O)C1CCCC1 WXVL_AK0030SB0043 [0,1,0,1,0,0|1,0,0]=3 997 B11R1.77 CC(C)NC(=O)C1CCCO1 WXVL_AK0030SB1033 [0,1,0,1,0,0|2,0,0]=4 998 B11R1.77 CC(C)NC(=O)C1CCCO1 WXVL_AK0030SB1033 [0,1,0,1,0,0|2,0,0]=4 999 B11R1.77 CC(C)NC(=O)C1CCCS1 WXVL_AK0030SB0022 [0,1,0,1,0,0|2,0,0]=4 1000 B11R1.77 CC(C)NC(=O)C1CCCS1 WXVL_AK0030SB0022 [0,1,0,1,0,0|2,0,0]=4 1001 B11R1.77 CC(C)NC(=O)[C@H]1CCCO1 WXVL_AK0030SB00043 [0,1,0,1,0,0|2,0,0]=4 1002 B11R1.77 CC(C)NC(=O)[C@H]1CCCO1 WXVL_AK0030SB00043 [0,1,0,1,0,0|2,0,0]=4 1003 B11R1.77 CC(O)CC(=O)N1CCCC1 WXVL_AN0008SB3643 [0,1,0,1,0,0|2,0,0]=4 1004 B11R1.77 CC(O)CC(=O)N1CCCC1 WXVL_AN0008SB3643 [0,1,0,1,0,0|2,0,0]=4 1005 B11R1.152 CC(C)CC(=O)N1CC(C1)C WXVL_AN0291SB0063 [0,1,0,1,0,0|2,0,0]=4 1006 B11R1.152 CC(C)CC(=O)N1CC(C1)C WXVL_AN0291SB0063 [0,1,0,1,0,0|2,0,0]=4 1007 B11R1.152 CC(C)NC(=O)C1CN(C1)C WXVL_AK0030SB0021 [0,1,0,1,0,0|2,0,0]=4 1008 B11R1.152 CC(C)NC(=O)C1CN(C1)C WXVL_AK0030SB0021 [0,1,0,1,0,0|2,0,0]=4 1009 B11R1.152 CC(C)NC(=O)[C@H]1C[C@@H](C1)O WXVL_AK0030SB3648 [0,1,0,1,0,0|2,0,0]=4 1010 B11R1.152 CC(C)NC(=O)[C@H]1C[C@@H](C1)O WXVL_AK0030SB3648 [0,1,0,1,0,0|2,0,0]=4 1011 B11R1.152 CC(C)NC(=O)[C@H]1C[C@H](C1)O WXVL_AK0030SB0837 [0,1,0,1,0,0|2,0,0]=4 1012 B11R1.152 CC(C)NC(=O)[C@H]1C[C@H](C1)O WXVL_AK0030SB0837 [0,1,0,1,0,0|2,0,0]=4 1013 B11R1.152 CC(O)CC(=O)N1CC(C1)C WXVL_AN0291SB3643 [0,1,0,1,0,0|2,0,0]=4 1014 B11R1.152 CC(O)CC(=O)N1CC(C1)C WXVL_AN0291SB3643 [0,1,0,1,0,0|2,0,0]=4 1015 B11R1.719 CC(C)CC(=O)N(C)C1CC1 WXVL_AN0276SB0063 [0,1,0,1,0,0|2,0,0]=4 1016 B11R1.719 CC(C)CC(=O)N(C)C1CC1 WXVL_AN0276SB0063 [0,1,0,1,0,0|2,0,0]=4 1017 B11R1.719 CC(O)CC(=O)N(C)C1CC1 WXVL_AN0276SB3643 [0,1,0,1,0,0|2,0,0]=4 1018 B11R1.719 CC(O)CC(=O)N(C)C1CC1 WXVL_AN0276SB3643 [0,1,0,1,0,0|2,0,0]=4 1019 B11R1.821 CCCC(=O)N1CC(C1)(C)O WXVL_AN0497SB0073 [0,1,0,1,0,0|2,0,0]=4 1020 B11R1.821 CCCC(=O)N1CC(C1)(C)O WXVL_AN0497SB0073 [0,1,0,1,0,0|2,0,0]=4 1021 B11R1.821 CCNC(=O)C1CC(C1)(C)C WXVL_AK00476SB2977 [0,1,0,1,0,0|1,0,0]=3 1022 B11R1.821 CCNC(=O)C1CC(C1)(C)C WXVL_AK00476SB2977 [0,1,0,1,0,0|1,0,0]=3 1023 B11R1.1264 CC(C)NC(=O)C1(CCC1)Br WXVL_AK0030SB0465 [0,1,0,1,0,0|2,0,0]=4 1024 B11R1.1264 CC(C)NC(=O)C1(CCC1)Br WXVL_AK0030SB0465 [0,1,0,1,0,0|2,0,0]=4 1025 B11R1.1264 CC(C)NC(=O)C1(CCC1)C WXVL_AK0030SB0805 [0,1,0,1,0,0|1,0,0]=3 1026 B11R1.1264 CC(C)NC(=O)C1(CCC1)C WXVL_AK0030SB0805 [0,1,0,1,0,0|1,0,0]=3 1027 B11R1.1264 CC(C)NC(=O)C1(CCC1)F WXVL_AK0030SB0033 [0,1,0,1,0,0|2,0,0]=4 1028 B11R1.1264 CC(C)NC(=O)C1(CCC1)F WXVL_AK0030SB0033 [0,1,0,1,0,0|2,0,0]=4 1029 B11R1.1264 CC(C)NC(=O)C1(COC1)C WXVL_AK0030SB0214 [0,1,0,1,0,0|2,0,0]=4 1030 B11R1.1264 CC(C)NC(=O)C1(COC1)C WXVL_AK0030SB0214 [0,1,0,1,0,0|2,0,0]=4 1031 B11R1.823 CCCC(=O)N(CC)C1CC1 WXVL_AN0137SB0073 [0,1,0,1,0,0|2,0,0]=4 1032 B11R1.823 CCCC(=O)N(CC)C1CC1 WXVL_AN0137SB0073 [0,1,0,1,0,0|2,0,0]=4 1033 B11R1.831 CCNC(=O)C1(CCC1)C#N WXVL_AK00476SB2113 [0,1,0,1,0,0|1,0,1]=4 1034 B11R1.831 CCNC(=O)C1(CCC1)C#N WXVL_AK00476SB2113 [0,1,0,1,0,0|1,0,1]=4 1035 B11R1.831 CCNC(=O)C1(CCC1)CC WXVL_AK00476SB0903 [0,1,0,1,0,0|1,0,0]=3 1036 B11R1.831 CCNC(=O)C1(CCC1)CC WXVL_AK00476SB0903 [0,1,0,1,0,0|1,0,0]=3 1037 B11R1.831 CCNC(=O)C1(COC1)CC WXVL_AK00476SB0224 [0,1,0,1,0,0|2,0,0]=4 1038 B11R1.831 CCNC(=O)C1(COC1)CC WXVL_AK00476SB0224 [0,1,0,1,0,0|2,0,0]=4 1039 B11R1.838 CCNC(=O)C1(CC1)COC WXVL_AK00476SBD924 [0,1,0,1,0,0|2,0,0]=4 1040 B11R1.838 CCNC(=O)C1(CC1)COC WXVL_AK00476SBD924 [0,1,0,1,0,0|2,0,0]=4 1041 B11R1.31 CCC(=O)C(=O)N1CCCC1 WXVL_AN0008SB0344 [0,1,0,1,0,0|2,0,0]=4 1042 B11R1.31 CCC(=O)C(=O)N1CCCC1 WXVL_AN0008SB0344 [0,1,0,1,0,0|2,0,0]=4 1043 B11R1.31 CCC(C)C(=O)N1CCCC1 WXVL_AN0008SB0054 [0,1,0,1,0,0|2,0,0]=4 1044 B11R1.31 CCC(C)C(=O)N1CCCC1 WXVL_AN0008SB0054 [0,1,0,1,0,0|2,0,0]=4 1045 B11R1.31 CC[C@@H](C)C(=O)N1CCCC1 WXVL_AN0008SB00054 [0,1,0,1,0,0|2,0,0]=4 1046 B11R1.31 CC[C@@H](C)C(=O)N1CCCC1 WXVL_AN0008SB00054 [0,1,0,1,0,0|2,0,0]=4 1047 B11R1.31 CC[C@H](O)C(=O)N1CCCC1 WXVL_AN0008SB3573 [0,1,0,1,0,0|2,0,0]=4 1048 B11R1.31 CC[C@H](O)C(=O)N1CCCC1 WXVL_AN0008SB3573 [0,1,0,1,0,0|2,0,0]=4 1049 B11R1.296 CCC(=O)C(=O)N1CC(C1)C WXVL_AN0291SB0344 [0,1,0,1,0,0|2,0,0]=4 1050 B11R1.296 CCC(=O)C(=O)N1CC(C1)C WXVL_AN0291SB0344 [0,1,0,1,0,0|2,0,0]=4 1051 B11R1.296 CCC(C)C(=O)N1CC(C1)C WXVL_AN0291SB0054 [0,1,0,1,0,0|2,0,0]=4 1052 B11R1.296 CCC(C)C(=O)N1CC(C1)C WXVL_AN0291SB0054 [0,1,0,1,0,0|2,0,0]=4 1053 B11R1.296 CC[C@@H](C)C(=O)N1CC(C1)C WXVL_AN0291SB00054 [0,1,0,1,0,0|2,0,0]=4 1054 B11R1.296 CC[C@@H](C)C(=O)N1CC(C1)C WXVL_AN0291SB00054 [0,1,0,1,0,0|2,0,0]=4 1055 B11R1.296 CC[C@H](O)C(=O)N1CC(C1)C WXVL_AN0291SB3573 [0,1,0,1,0,0|2,0,0]=4 1056 B11R1.296 CC[C@H](O)C(=O)N1CC(C1)C WXVL_AN0291SB3573 [0,1,0,1,0,0|2,0,0]=4 1057 B11R1.385 CCC(=O)C(=O)N(C)C1CC1 WXVL_AN0276SB0344 [0,1,0,1,0,0|2,0,0]=4 1058 B11R1.385 CCC(=O)C(=O)N(C)C1CC1 WXVL_AN0276SB0344 [0,1,0,1,0,0|2,0,0]=4 1059 B11R1.385 CCC(C)C(=O)N(C)C1CC1 WXVL_AN0276SB0054 [0,1,0,1,0,0|2,0,0]=4 1060 B11R1.385 CCC(C)C(=O)N(C)C1CC1 WXVL_AN0276SB0054 [0,1,0,1,0,0|2,0,0]=4 1061 B11R1.385 CC[C@@H](C)C(=O)N(C)C1CC1 WXVL_AN0276SB00054 [0,1,0,1,0,0|2,0,0]=4 1062 B11R1.385 CC[C@@H](C)C(=O)N(C)C1CC1 WXVL_AN0276SB00054 [0,1,0,1,0,0|2,0,0]=4 1063 B11R1.385 CC[C@H](O)C(=O)N(C)C1CC1 WXVL_AN0276SB3573 [0,1,0,1,0,0|2,0,0]=4 1064 B11R1.385 CC[C@H](O)C(=O)N(C)C1CC1 WXVL_AN0276SB3573 [0,1,0,1,0,0|2,0,0]=4 1065 B11R2.1031 O=C(C1CC1)N2CCCC2 WXVL_AN0008SB0038 [0,0,0,2,0,0|2,0,0]=4 1066 B11R2.1031 O=C(C1CC1)N2CCCC2 WXVL_AN0008SB0038 [0,0,0,2,0,0|2,0,0]=4 1067 B11R2.548 CC1CN(C1)C(=O)C2CC2 WXVL_AN0291SB0038 [0,0,0,2,0,0|2,0,0]=4 1068 B11R2.548 CC1CN(C1)C(=O)C2CC2 WXVL_AN0291SB0038 [0,0,0,2,0,0|2,0,0]=4 1069 B11R2.881 CCNC(=O)C12CC(C1)C2 WXVL_AK00476SB0028 [0,0,0,2,0,0|1,0,0]=3 1070 B11R2.881 CCNC(=O)C12CC(C1)C2 WXVL_AK00476SB0028 [0,0,0,2,0,0|1,0,0]=3 1071 B11R2.1032 CN(C(=O)C1CC1)C2CC2 WXVL_AN0276SB0038 [0,0,0,2,0,0|2,0,0]=4 1072 B11R2.1032 CN(C(=O)C1CC1)C2CC2 WXVL_AN0276SB0038 [0,0,0,2,0,0|2,0,0]=4