0 B9R0.35 CC/C=C(\C)/C(=O)NCC WXVL_AK00476SB0037 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.35 CC/C=C(\C)/C(=O)NCC WXVL_AK00476SB0037 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.35 CCCC(=O)N(C)CC#N WXVL_AN2942SB0073 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.35 CCCC(=O)N(C)CC#N WXVL_AN2942SB0073 [0,0,0,0,0,0|3,0,1]=4 4 B9R0.35 CCCC(=O)N(C)CCO WXVL_AN2670SB0073 [0,0,0,0,0,0|3,0,0]=3 5 B9R0.35 CCCC(=O)N(C)CCO WXVL_AN2670SB0073 [0,0,0,0,0,0|3,0,0]=3 6 B9R0.35 CCCC(C)C(=O)NCC WXVL_AK00476SB0352 [0,0,0,0,0,0|2,0,0]=2 7 B9R0.35 CCCC(C)C(=O)NCC WXVL_AK00476SB0352 [0,0,0,0,0,0|2,0,0]=2 8 B9R0.35 CCC[C@H](O)C(=O)NCC WXVL_AK00476SB3627 [0,0,0,0,0,0|1,0,0]=1 9 B9R0.35 CCC[C@H](O)C(=O)NCC WXVL_AK00476SB3627 [0,0,0,0,0,0|1,0,0]=1 10 B9R0.35 CCNC(=O)C(=O)OCC WXVL_AK00476SB4144 [0,0,0,0,0,0|2,0,2]=4 11 B9R0.35 CCNC(=O)C(=O)OCC WXVL_AK00476SB4144 [0,0,0,0,0,0|2,0,2]=4 12 B9R0.35 COCC(=O)N(C)CCO WXVL_AN2670SB0090 [0,0,0,0,0,0|4,0,0]=4 13 B9R0.35 COCC(=O)N(C)CCO WXVL_AN2670SB0090 [0,0,0,0,0,0|4,0,0]=4 14 B9R0.35 CSCC(=O)N(C)CCO WXVL_AN2670SB1267 [0,0,0,0,0,0|4,0,0]=4 15 B9R0.35 CSCC(=O)N(C)CCO WXVL_AN2670SB1267 [0,0,0,0,0,0|4,0,0]=4 16 B8R0.1 C#CCC(=O)NCCC WXVL_AK00504SB3070 [1,0,0,0,0,0|1,0,2]=4 17 B8R0.1 C#CCC(=O)NCCC WXVL_AK00504SB3070 [1,0,0,0,0,0|1,0,2]=4 18 B8R0.1 C#CCCC(=O)NCC WXVL_AK00476SB2189 [1,0,0,0,0,0|1,0,2]=4 19 B8R0.1 C#CCCC(=O)NCC WXVL_AK00476SB2189 [1,0,0,0,0,0|1,0,2]=4 20 B8R0.1 C/C=C/C(=O)NCCC WXVL_AK00504SB0340 [1,0,0,0,0,0|1,0,2]=4 21 B8R0.1 C/C=C/C(=O)NCCC WXVL_AK00504SB0340 [1,0,0,0,0,0|1,0,2]=4 22 B8R0.1 C=CCC(=O)NCCC WXVL_AK00504SB2732 [1,0,0,0,0,0|1,0,2]=4 23 B8R0.1 C=CCC(=O)NCCC WXVL_AK00504SB2732 [1,0,0,0,0,0|1,0,2]=4 24 B8R0.1 C=CCCC(=O)NCC WXVL_AK00476SB1035 [1,0,0,0,0,0|1,0,2]=4 25 B8R0.1 C=CCCC(=O)NCC WXVL_AK00476SB1035 [1,0,0,0,0,0|1,0,2]=4 26 B8R0.1 C=CCNC(=O)CCC WXVL_AK00561SB0073 [1,0,0,0,0,0|1,0,2]=4 27 B8R0.1 C=CCNC(=O)CCC WXVL_AK00561SB0073 [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|1,0,2]=4 29 B8R0.1 CC#CC(=O)NCCC WXVL_AK00504SB1240 [1,0,0,0,0,0|1,0,2]=4 30 B8R0.1 CCCC(=O)NCC#N WXVL_AK0683SB0073 [1,0,0,0,0,0|2,0,1]=4 31 B8R0.1 CCCC(=O)NCC#N WXVL_AK0683SB0073 [1,0,0,0,0,0|2,0,1]=4 32 B8R0.1 CCCC(=O)NCCF WXVL_AK00466SB0073 [1,0,0,0,0,0|2,0,0]=3 33 B8R0.1 CCCC(=O)NCCF WXVL_AK00466SB0073 [1,0,0,0,0,0|2,0,0]=3 34 B8R0.1 CCCNC(=O)CC#N WXVL_AK00504SB0057 [1,0,0,0,0,0|2,0,1]=4 35 B8R0.1 CCCNC(=O)CC#N WXVL_AK00504SB0057 [1,0,0,0,0,0|2,0,1]=4 36 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [1,0,0,0,0,0|1,0,0]=2 37 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [1,0,0,0,0,0|1,0,0]=2 38 B8R0.1 CCCNC(=O)COC WXVL_AK00504SB0090 [1,0,0,0,0,0|2,0,0]=3 39 B8R0.1 CCCNC(=O)COC WXVL_AK00504SB0090 [1,0,0,0,0,0|2,0,0]=3 40 B8R0.1 CCCNC(=O)CSC WXVL_AK00504SB1267 [1,0,0,0,0,0|2,0,0]=3 41 B8R0.1 CCCNC(=O)CSC WXVL_AK00504SB1267 [1,0,0,0,0,0|2,0,0]=3 42 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [1,0,0,0,0,0|2,0,0]=3 43 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [1,0,0,0,0,0|2,0,0]=3 44 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [1,0,0,0,0,0|2,0,0]=3 45 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [1,0,0,0,0,0|2,0,0]=3 46 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [1,0,0,0,0,0|2,0,0]=3 47 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [1,0,0,0,0,0|2,0,0]=3 48 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [1,0,0,0,0,0|2,0,0]=3 49 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [1,0,0,0,0,0|2,0,0]=3 50 B8R0.1 CCNC(=O)NCCCl WXVL_AK00476YV0092 [1,0,0,0,0,0|3,0,0]=4 51 B8R0.1 CCNC(=O)NCCCl WXVL_AK00476YV0092 [1,0,0,0,0,0|3,0,0]=4 52 B8R0.1 COCC(=O)NCCF WXVL_AK00466SB0090 [1,0,0,0,0,0|3,0,0]=4 53 B8R0.1 COCC(=O)NCCF WXVL_AK00466SB0090 [1,0,0,0,0,0|3,0,0]=4 54 B8R0.1 CSCC(=O)NCCF WXVL_AK00466SB1267 [1,0,0,0,0,0|3,0,0]=4 55 B8R0.1 CSCC(=O)NCCF WXVL_AK00466SB1267 [1,0,0,0,0,0|3,0,0]=4 56 B8R0.3 CCC(=O)N(C)CCO WXVL_AN2670SB0064 [1,0,0,0,0,0|3,0,0]=4 57 B8R0.3 CCC(=O)N(C)CCO WXVL_AN2670SB0064 [1,0,0,0,0,0|3,0,0]=4 58 B8R0.3 CCCC(C)C(=O)NC WXVL_AK00442SB0352 [1,0,0,0,0,0|2,0,0]=3 59 B8R0.3 CCCC(C)C(=O)NC WXVL_AK00442SB0352 [1,0,0,0,0,0|2,0,0]=3 60 B8R0.3 CCC[C@H](O)C(=O)NC WXVL_AK00442SB3627 [1,0,0,0,0,0|1,0,0]=2 61 B8R0.3 CCC[C@H](O)C(=O)NC WXVL_AK00442SB3627 [1,0,0,0,0,0|1,0,0]=2 62 B8R0.3 CCNC(=O)C(=O)CC WXVL_AK00476SB0344 [1,0,0,0,0,0|1,0,2]=4 63 B8R0.3 CCNC(=O)C(=O)CC WXVL_AK00476SB0344 [1,0,0,0,0,0|1,0,2]=4 64 B8R0.3 CCNC(=O)C(C)CC WXVL_AK00476SB0054 [1,0,0,0,0,0|2,0,0]=3 65 B8R0.3 CCNC(=O)C(C)CC WXVL_AK00476SB0054 [1,0,0,0,0,0|2,0,0]=3 66 B8R0.3 CCNC(=O)[C@@H](C)OC WXVL_AK00476SB2926 [1,0,0,0,0,0|3,0,0]=4 67 B8R0.3 CCNC(=O)[C@@H](C)OC WXVL_AK00476SB2926 [1,0,0,0,0,0|3,0,0]=4 68 B8R0.3 CCNC(=O)[C@@H](O)CC WXVL_AK00476SB3573 [1,0,0,0,0,0|1,0,0]=2 69 B8R0.3 CCNC(=O)[C@@H](O)CC WXVL_AK00476SB3573 [1,0,0,0,0,0|1,0,0]=2 70 B8R0.3 CCNC(=O)[C@H](C)CC WXVL_AK00476SB00054 [1,0,0,0,0,0|2,0,0]=3 71 B8R0.3 CCNC(=O)[C@H](C)CC WXVL_AK00476SB00054 [1,0,0,0,0,0|2,0,0]=3 72 B10R0.19 C=CCNC(=O)C(C)CCC WXVL_AK00561SB0352 [0,1,0,0,0,0|1,0,2]=4 73 B10R0.19 C=CCNC(=O)C(C)CCC WXVL_AK00561SB0352 [0,1,0,0,0,0|1,0,2]=4 74 B10R0.19 C=CCNC(=O)[C@@H](O)CCC WXVL_AK00561SB3627 [0,1,0,0,0,0|0,0,2]=3 75 B10R0.19 C=CCNC(=O)[C@@H](O)CCC WXVL_AK00561SB3627 [0,1,0,0,0,0|0,0,2]=3 76 B10R0.19 CC/C=C(\C)/C(=O)NCCC WXVL_AK00504SB0037 [0,1,0,0,0,0|1,0,2]=4 77 B10R0.19 CC/C=C(\C)/C(=O)NCCC WXVL_AK00504SB0037 [0,1,0,0,0,0|1,0,2]=4 78 B10R0.19 CCCC(=O)N(C)CCOC WXVL_AN0085SB0073 [0,1,0,0,0,0|2,0,0]=3 79 B10R0.19 CCCC(=O)N(C)CCOC WXVL_AN0085SB0073 [0,1,0,0,0,0|2,0,0]=3 80 B10R0.19 CCCC(C)C(=O)NCC#N WXVL_AK0683SB0352 [0,1,0,0,0,0|2,0,1]=4 81 B10R0.19 CCCC(C)C(=O)NCC#N WXVL_AK0683SB0352 [0,1,0,0,0,0|2,0,1]=4 82 B10R0.19 CCCC(C)C(=O)NCCF WXVL_AK00466SB0352 [0,1,0,0,0,0|2,0,0]=3 83 B10R0.19 CCCC(C)C(=O)NCCF WXVL_AK00466SB0352 [0,1,0,0,0,0|2,0,0]=3 84 B10R0.19 CCCCC(O)C(=O)NCC WXVL_AK00476SB3429 [0,1,0,0,0,0|1,0,0]=2 85 B10R0.19 CCCCC(O)C(=O)NCC WXVL_AK00476SB3429 [0,1,0,0,0,0|1,0,0]=2 86 B10R0.19 CCCNC(=O)C(=O)OCC WXVL_AK00504SB4144 [0,1,0,0,0,0|1,0,2]=4 87 B10R0.19 CCCNC(=O)C(=O)OCC WXVL_AK00504SB4144 [0,1,0,0,0,0|1,0,2]=4 88 B10R0.19 CCCNC(=O)C(C)CCC WXVL_AK00504SB0352 [0,1,0,0,0,0|1,0,0]=2 89 B10R0.19 CCCNC(=O)C(C)CCC WXVL_AK00504SB0352 [0,1,0,0,0,0|1,0,0]=2 90 B10R0.19 CCCNC(=O)[C@@H](O)CCC WXVL_AK00504SB3627 [0,1,0,0,0,0|0,0,0]=1 91 B10R0.19 CCCNC(=O)[C@@H](O)CCC WXVL_AK00504SB3627 [0,1,0,0,0,0|0,0,0]=1 92 B10R0.19 CCC[C@H](O)C(=O)NCC#N WXVL_AK0683SB3627 [0,1,0,0,0,0|1,0,1]=3 93 B10R0.19 CCC[C@H](O)C(=O)NCC#N WXVL_AK0683SB3627 [0,1,0,0,0,0|1,0,1]=3 94 B10R0.19 CCC[C@H](O)C(=O)NCCF WXVL_AK00466SB3627 [0,1,0,0,0,0|1,0,0]=2 95 B10R0.19 CCC[C@H](O)C(=O)NCCF WXVL_AK00466SB3627 [0,1,0,0,0,0|1,0,0]=2 96 B10R0.19 CCOCC(=O)N(C)CCO WXVL_AN2670SB0091 [0,1,0,0,0,0|3,0,0]=4 97 B10R0.19 CCOCC(=O)N(C)CCO WXVL_AN2670SB0091 [0,1,0,0,0,0|3,0,0]=4 98 B10R0.19 CCSCC(=O)N(C)CCO WXVL_AN2670SB0002 [0,1,0,0,0,0|3,0,0]=4 99 B10R0.19 CCSCC(=O)N(C)CCO WXVL_AN2670SB0002 [0,1,0,0,0,0|3,0,0]=4 100 B10R0.19 COCCC(=O)N(C)CCO WXVL_AN2670SB0156 [0,1,0,0,0,0|3,0,0]=4 101 B10R0.19 COCCC(=O)N(C)CCO WXVL_AN2670SB0156 [0,1,0,0,0,0|3,0,0]=4 102 B10R0.19 COCCN(C)C(=O)COC WXVL_AN0085SB0090 [0,1,0,0,0,0|3,0,0]=4 103 B10R0.19 COCCN(C)C(=O)COC WXVL_AN0085SB0090 [0,1,0,0,0,0|3,0,0]=4 104 B10R0.19 COCCN(C)C(=O)CSC WXVL_AN0085SB1267 [0,1,0,0,0,0|3,0,0]=4 105 B10R0.19 COCCN(C)C(=O)CSC WXVL_AN0085SB1267 [0,1,0,0,0,0|3,0,0]=4 106 B10R0.19 CSCCC(=O)N(C)CCO WXVL_AN2670SB0361 [0,1,0,0,0,0|3,0,0]=4 107 B10R0.19 CSCCC(=O)N(C)CCO WXVL_AN2670SB0361 [0,1,0,0,0,0|3,0,0]=4 108 B10R0.32 CC(C)CC(=O)N(C)CCO WXVL_AN2670SB0063 [0,1,0,0,0,0|3,0,0]=4 109 B10R0.32 CC(C)CC(=O)N(C)CCO WXVL_AN2670SB0063 [0,1,0,0,0,0|3,0,0]=4 110 B10R0.32 CC(O)CC(=O)N(C)CCO WXVL_AN2670SB3643 [0,1,0,0,0,0|3,0,0]=4 111 B10R0.32 CC(O)CC(=O)N(C)CCO WXVL_AN2670SB3643 [0,1,0,0,0,0|3,0,0]=4 112 B10R0.32 CCCC(C)C(=O)NC(C)C WXVL_AK0030SB0352 [0,1,0,0,0,0|2,0,0]=3 113 B10R0.32 CCCC(C)C(=O)NC(C)C WXVL_AK0030SB0352 [0,1,0,0,0,0|2,0,0]=3 114 B10R0.32 CCC[C@H](O)C(=O)NC(C)C WXVL_AK0030SB3627 [0,1,0,0,0,0|1,0,0]=2 115 B10R0.32 CCC[C@H](O)C(=O)NC(C)C WXVL_AK0030SB3627 [0,1,0,0,0,0|1,0,0]=2 116 B10R0.32 CCNC(=O)C(O)CC(C)C WXVL_AK00476SB4281 [0,1,0,0,0,0|1,0,0]=2 117 B10R0.32 CCNC(=O)C(O)CC(C)C WXVL_AK00476SB4281 [0,1,0,0,0,0|1,0,0]=2 118 B10R0.33 CCCC(=O)N(CC)CCO WXVL_AN3174SB0073 [0,1,0,0,0,0|3,0,0]=4 119 B10R0.35 CCC(C)C(=O)N(C)CCO WXVL_AN2670SB0054 [0,1,0,0,0,0|3,0,0]=4 120 B10R0.35 CCC(C)C(=O)N(C)CCO WXVL_AN2670SB0054 [0,1,0,0,0,0|3,0,0]=4 121 B10R0.35 CC[C@@H](C)C(=O)N(C)CCO WXVL_AN2670SB00054 [0,1,0,0,0,0|3,0,0]=4 122 B10R0.35 CC[C@@H](C)C(=O)N(C)CCO WXVL_AN2670SB00054 [0,1,0,0,0,0|3,0,0]=4 123 B10R0.35 CC[C@H](O)C(=O)N(C)CCO WXVL_AN2670SB3573 [0,1,0,0,0,0|3,0,0]=4 124 B10R0.35 CC[C@H](O)C(=O)N(C)CCO WXVL_AN2670SB3573 [0,1,0,0,0,0|3,0,0]=4 125 B10R0.129 CCCC(C)(C)C(=O)NCC WXVL_AK00476SB0372 [0,1,0,0,0,0|2,0,0]=3 126 B10R0.129 CCCC(C)(C)C(=O)NCC WXVL_AK00476SB0372 [0,1,0,0,0,0|2,0,0]=3 127 B10R0.129 CCNC(=O)C(C)(C)CSC WXVL_AK00476SBF473 [0,1,0,0,0,0|3,0,0]=4 128 B10R0.129 CCNC(=O)C(C)(C)CSC WXVL_AK00476SBF473 [0,1,0,0,0,0|3,0,0]=4 129 B10R1.11 CCCC(=O)N1CCCC1 WXVL_AN0008SB0073 [0,0,0,1,0,0|2,0,0]=3 130 B10R1.11 CCCC(=O)N1CCCC1 WXVL_AN0008SB0073 [0,0,0,1,0,0|2,0,0]=3 131 B10R1.11 CCNC(=O)C1CCCC1 WXVL_AK00476SB0043 [0,0,0,1,0,0|2,0,0]=3 132 B10R1.11 CCNC(=O)C1CCCC1 WXVL_AK00476SB0043 [0,0,0,1,0,0|2,0,0]=3 133 B10R1.11 CCNC(=O)C1CCCO1 WXVL_AK00476SB1033 [0,0,0,1,0,0|1,0,0]=2 134 B10R1.11 CCNC(=O)C1CCCO1 WXVL_AK00476SB1033 [0,0,0,1,0,0|1,0,0]=2 135 B10R1.11 CCNC(=O)C1CCCS1 WXVL_AK00476SB0022 [0,0,0,1,0,0|1,1,0]=3 136 B10R1.11 CCNC(=O)C1CCCS1 WXVL_AK00476SB0022 [0,0,0,1,0,0|1,1,0]=3 137 B10R1.11 CCNC(=O)[C@H]1CCCO1 WXVL_AK00476SB00043 [0,0,0,1,0,0|1,0,0]=2 138 B10R1.11 CCNC(=O)[C@H]1CCCO1 WXVL_AK00476SB00043 [0,0,0,1,0,0|1,0,0]=2 139 B10R1.11 COCC(=O)N1CCCC1 WXVL_AN0008SB0090 [0,0,0,1,0,0|3,0,0]=4 140 B10R1.11 COCC(=O)N1CCCC1 WXVL_AN0008SB0090 [0,0,0,1,0,0|3,0,0]=4 141 B10R1.11 CSCC(=O)N1CCCC1 WXVL_AN0008SB1267 [0,0,0,1,0,0|3,0,0]=4 142 B10R1.11 CSCC(=O)N1CCCC1 WXVL_AN0008SB1267 [0,0,0,1,0,0|3,0,0]=4 143 B10R1.140 CCCC(=O)N1CC(C1)C WXVL_AN0291SB0073 [0,0,0,1,0,0|2,0,0]=3 144 B10R1.140 CCCC(=O)N1CC(C1)C WXVL_AN0291SB0073 [0,0,0,1,0,0|2,0,0]=3 145 B10R1.140 CCCC(=O)N1CC(C1)O WXVL_AN0284SB0073 [0,0,0,1,0,0|3,0,0]=4 146 B10R1.140 CCCC(=O)N1CC(C1)O WXVL_AN0284SB0073 [0,0,0,1,0,0|3,0,0]=4 147 B10R1.140 CCNC(=O)C1CN(C1)C WXVL_AK00476SB0021 [0,0,0,1,0,0|3,0,0]=4 148 B10R1.140 CCNC(=O)C1CN(C1)C WXVL_AK00476SB0021 [0,0,0,1,0,0|3,0,0]=4 149 B10R1.140 CCNC(=O)[C@H]1C[C@@H](C1)O WXVL_AK00476SB3648 [0,0,0,1,0,0|3,0,0]=4 150 B10R1.140 CCNC(=O)[C@H]1C[C@@H](C1)O WXVL_AK00476SB3648 [0,0,0,1,0,0|3,0,0]=4 151 B10R1.140 CCNC(=O)[C@H]1C[C@H](C1)O WXVL_AK00476SB0837 [0,0,0,1,0,0|3,0,0]=4 152 B10R1.140 CCNC(=O)[C@H]1C[C@H](C1)O WXVL_AK00476SB0837 [0,0,0,1,0,0|3,0,0]=4 153 B10R1.140 COCC(=O)N1CC(C1)C WXVL_AN0291SB0090 [0,0,0,1,0,0|3,0,0]=4 154 B10R1.140 COCC(=O)N1CC(C1)C WXVL_AN0291SB0090 [0,0,0,1,0,0|3,0,0]=4 155 B10R1.140 CSCC(=O)N1CC(C1)C WXVL_AN0291SB1267 [0,0,0,1,0,0|3,0,0]=4 156 B10R1.140 CSCC(=O)N1CC(C1)C WXVL_AN0291SB1267 [0,0,0,1,0,0|3,0,0]=4 157 B10R1.212 CCCC(=O)N(C)C1CC1 WXVL_AN0276SB0073 [0,0,0,1,0,0|2,0,0]=3 158 B10R1.212 CCCC(=O)N(C)C1CC1 WXVL_AN0276SB0073 [0,0,0,1,0,0|2,0,0]=3 159 B10R1.212 CCNC(=O)C(=O)C1CC1 WXVL_AK00476SB3659 [0,0,0,1,0,0|1,0,2]=4 160 B10R1.212 CCNC(=O)C(=O)C1CC1 WXVL_AK00476SB3659 [0,0,0,1,0,0|1,0,2]=4 161 B10R1.212 CN(CCO)C(=O)C1CC1 WXVL_AN2670SB0038 [0,0,0,1,0,0|3,0,0]=4 162 B10R1.212 CN(CCO)C(=O)C1CC1 WXVL_AN2670SB0038 [0,0,0,1,0,0|3,0,0]=4 163 B10R1.212 COCC(=O)N(C)C1CC1 WXVL_AN0276SB0090 [0,0,0,1,0,0|3,0,0]=4 164 B10R1.212 COCC(=O)N(C)C1CC1 WXVL_AN0276SB0090 [0,0,0,1,0,0|3,0,0]=4 165 B10R1.212 CSCC(=O)N(C)C1CC1 WXVL_AN0276SB1267 [0,0,0,1,0,0|3,0,0]=4 166 B10R1.212 CSCC(=O)N(C)C1CC1 WXVL_AN0276SB1267 [0,0,0,1,0,0|3,0,0]=4 167 B10R1.401 CCNC(=O)C1(CCC1)Br WXVL_AK00476SB0465 [0,0,0,1,0,0|2,0,0]=3 168 B10R1.401 CCNC(=O)C1(CCC1)Br WXVL_AK00476SB0465 [0,0,0,1,0,0|2,0,0]=3 169 B10R1.401 CCNC(=O)C1(CCC1)C WXVL_AK00476SB0805 [0,0,0,1,0,0|2,0,0]=3 170 B10R1.401 CCNC(=O)C1(CCC1)C WXVL_AK00476SB0805 [0,0,0,1,0,0|2,0,0]=3 171 B10R1.401 CCNC(=O)C1(CCC1)F WXVL_AK00476SB0033 [0,0,0,1,0,0|2,0,0]=3 172 B10R1.401 CCNC(=O)C1(CCC1)F WXVL_AK00476SB0033 [0,0,0,1,0,0|2,0,0]=3 173 B10R1.401 CCNC(=O)C1(COC1)C WXVL_AK00476SB0214 [0,0,0,1,0,0|3,0,0]=4 174 B10R1.401 CCNC(=O)C1(COC1)C WXVL_AK00476SB0214 [0,0,0,1,0,0|3,0,0]=4 175 B10R0.2 C#CCC(=O)N[C@@H](C)CCC WXVL_AK00682SB3070 [0,0,0,0,0,1|1,0,2]=4 176 B10R0.2 C#CCC(=O)N[C@@H](C)CCC WXVL_AK00682SB3070 [0,0,0,0,0,1|1,0,2]=4 177 B10R0.2 C/C=C/C(=O)N[C@@H](C)CCC WXVL_AK00682SB0340 [0,0,0,0,0,1|1,0,2]=4 178 B10R0.2 C/C=C/C(=O)N[C@@H](C)CCC WXVL_AK00682SB0340 [0,0,0,0,0,1|1,0,2]=4 179 B10R0.2 C=CCC(=O)N[C@@H](C)CCC WXVL_AK00682SB2732 [0,0,0,0,0,1|1,0,2]=4 180 B10R0.2 C=CCC(=O)N[C@@H](C)CCC WXVL_AK00682SB2732 [0,0,0,0,0,1|1,0,2]=4 181 B10R0.2 CC#CC(=O)N[C@@H](C)CCC WXVL_AK00682SB1240 [0,0,0,0,0,1|1,0,2]=4 182 B10R0.2 CC#CC(=O)N[C@@H](C)CCC WXVL_AK00682SB1240 [0,0,0,0,0,1|1,0,2]=4 183 B10R0.2 CCCC(=O)NC(C)CCO WXVL_AK1288SB0073 [0,0,0,0,0,1|2,0,0]=3 184 B10R0.2 CCCC(=O)NC(C)CCO WXVL_AK1288SB0073 [0,0,0,0,0,1|2,0,0]=3 185 B10R0.2 CCCC(=O)N[C@@H](C)CC#N WXVL_AK00595SB0073 [0,0,0,0,0,1|2,0,1]=4 186 B10R0.2 CCCC(=O)N[C@@H](C)CC#N WXVL_AK00595SB0073 [0,0,0,0,0,1|2,0,1]=4 187 B10R0.2 CCCC(=O)N[C@@H](C)CCC WXVL_AK00682SB0073 [0,0,0,0,0,1|1,0,0]=2 188 B10R0.2 CCCC(=O)N[C@@H](C)CCC WXVL_AK00682SB0073 [0,0,0,0,0,1|1,0,0]=2 189 B10R0.2 CCCC(=O)N[C@@H](C)COC WXVL_AK0137SB0073 [0,0,0,0,0,1|2,0,0]=3 190 B10R0.2 CCCC(=O)N[C@@H](C)COC WXVL_AK0137SB0073 [0,0,0,0,0,1|2,0,0]=3 191 B10R0.2 CCCC(=O)N[C@H](C)COC WXVL_AK00613SB0073 [0,0,0,0,0,1|2,0,0]=3 192 B10R0.2 CCCC(=O)N[C@H](C)COC WXVL_AK00613SB0073 [0,0,0,0,0,1|2,0,0]=3 193 B10R0.2 CCC[C@H](C)NC(=O)CC#N WXVL_AK00682SB0057 [0,0,0,0,0,1|2,0,1]=4 194 B10R0.2 CCC[C@H](C)NC(=O)CC#N WXVL_AK00682SB0057 [0,0,0,0,0,1|2,0,1]=4 195 B10R0.2 CCC[C@H](C)NC(=O)COC WXVL_AK00682SB0090 [0,0,0,0,0,1|2,0,0]=3 196 B10R0.2 CCC[C@H](C)NC(=O)COC WXVL_AK00682SB0090 [0,0,0,0,0,1|2,0,0]=3 197 B10R0.2 CCC[C@H](C)NC(=O)CSC WXVL_AK00682SB1267 [0,0,0,0,0,1|2,0,0]=3 198 B10R0.2 CCC[C@H](C)NC(=O)CSC WXVL_AK00682SB1267 [0,0,0,0,0,1|2,0,0]=3 199 B10R0.2 COCC(=O)NC(C)CCO WXVL_AK1288SB0090 [0,0,0,0,0,1|3,0,0]=4 200 B10R0.2 COCC(=O)NC(C)CCO WXVL_AK1288SB0090 [0,0,0,0,0,1|3,0,0]=4 201 B10R0.2 COCC(=O)N[C@@H](C)COC WXVL_AK0137SB0090 [0,0,0,0,0,1|3,0,0]=4 202 B10R0.2 COCC(=O)N[C@@H](C)COC WXVL_AK0137SB0090 [0,0,0,0,0,1|3,0,0]=4 203 B10R0.2 COCC(=O)N[C@H](C)COC WXVL_AK00613SB0090 [0,0,0,0,0,1|3,0,0]=4 204 B10R0.2 COCC(=O)N[C@H](C)COC WXVL_AK00613SB0090 [0,0,0,0,0,1|3,0,0]=4 205 B10R0.2 COC[C@@H](C)NC(=O)CSC WXVL_AK00613SB1267 [0,0,0,0,0,1|3,0,0]=4 206 B10R0.2 COC[C@@H](C)NC(=O)CSC WXVL_AK00613SB1267 [0,0,0,0,0,1|3,0,0]=4 207 B10R0.2 COC[C@H](C)NC(=O)CSC WXVL_AK0137SB1267 [0,0,0,0,0,1|3,0,0]=4 208 B10R0.2 COC[C@H](C)NC(=O)CSC WXVL_AK0137SB1267 [0,0,0,0,0,1|3,0,0]=4 209 B10R0.2 CSCC(=O)NC(C)CCO WXVL_AK1288SB1267 [0,0,0,0,0,1|3,0,0]=4 210 B10R0.2 CSCC(=O)NC(C)CCO WXVL_AK1288SB1267 [0,0,0,0,0,1|3,0,0]=4 211 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [2,0,0,0,0,0|2,0,0]=4 212 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [2,0,0,0,0,0|2,0,0]=4 213 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [2,0,0,0,0,0|1,0,0]=3 214 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [2,0,0,0,0,0|1,0,0]=3 215 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [2,0,0,0,0,0|2,0,0]=4 216 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [2,0,0,0,0,0|2,0,0]=4 217 B7R0.3 CCOCC(=O)NC WXVL_AK00442SB0091 [2,0,0,0,0,0|2,0,0]=4 218 B7R0.3 CCOCC(=O)NC WXVL_AK00442SB0091 [2,0,0,0,0,0|2,0,0]=4 219 B7R0.3 CCSCC(=O)NC WXVL_AK00442SB0002 [2,0,0,0,0,0|2,0,0]=4 220 B7R0.3 CCSCC(=O)NC WXVL_AK00442SB0002 [2,0,0,0,0,0|2,0,0]=4 221 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [2,0,0,0,0,0|2,0,0]=4 222 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [2,0,0,0,0,0|2,0,0]=4 223 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [2,0,0,0,0,0|2,0,0]=4 224 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [2,0,0,0,0,0|2,0,0]=4 225 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [2,0,0,0,0,0|1,0,0]=3 226 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [2,0,0,0,0,0|1,0,0]=3 227 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [2,0,0,0,0,0|2,0,0]=4 228 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [2,0,0,0,0,0|2,0,0]=4 229 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [2,0,0,0,0,0|2,0,0]=4 230 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [2,0,0,0,0,0|2,0,0]=4 231 B7R0.5 CCCC(=O)N(C)C WXVL_AN0032SB0073 [2,0,0,0,0,0|2,0,0]=4 232 B7R0.5 CCCC(=O)N(C)C WXVL_AN0032SB0073 [2,0,0,0,0,0|2,0,0]=4 233 B7R0.5 CCCC(C)C(=O)N WXVL_AK0084SB0352 [2,0,0,0,0,0|2,0,0]=4 234 B7R0.5 CCCC(C)C(=O)N WXVL_AK0084SB0352 [2,0,0,0,0,0|2,0,0]=4 235 B7R0.5 CCC[C@H](O)C(=O)N WXVL_AK0084SB3627 [2,0,0,0,0,0|1,0,0]=3 236 B7R0.5 CCC[C@H](O)C(=O)N WXVL_AK0084SB3627 [2,0,0,0,0,0|1,0,0]=3 237 B7R0.5 CCNC(=O)C(C)C WXVL_AK00476SB0052 [2,0,0,0,0,0|2,0,0]=4 238 B7R0.5 CCNC(=O)C(C)C WXVL_AK00476SB0052 [2,0,0,0,0,0|2,0,0]=4 239 B7R0.5 CCNC(=O)C(C)S WXVL_AK00476SB2708 [2,0,0,0,0,0|1,1,0]=4 240 B7R0.5 CCNC(=O)C(C)S WXVL_AK00476SB2708 [2,0,0,0,0,0|1,1,0]=4 241 B7R0.5 CCNC(=O)[C@@H](C)O WXVL_AK00476SB1085 [2,0,0,0,0,0|1,0,0]=3 242 B7R0.5 CCNC(=O)[C@@H](C)O WXVL_AK00476SB1085 [2,0,0,0,0,0|1,0,0]=3 243 B7R0.10 CCC(C)C(=O)NC WXVL_AK00442SB0054 [2,0,0,0,0,0|2,0,0]=4 244 B7R0.10 CCC(C)C(=O)NC WXVL_AK00442SB0054 [2,0,0,0,0,0|2,0,0]=4 245 B7R0.10 CC[C@@H](C)C(=O)NC WXVL_AK00442SB00054 [2,0,0,0,0,0|2,0,0]=4 246 B7R0.10 CC[C@@H](C)C(=O)NC WXVL_AK00442SB00054 [2,0,0,0,0,0|2,0,0]=4 247 B7R0.10 CC[C@H](O)C(=O)NC WXVL_AK00442SB3573 [2,0,0,0,0,0|1,0,0]=3 248 B7R0.10 CC[C@H](O)C(=O)NC WXVL_AK00442SB3573 [2,0,0,0,0,0|1,0,0]=3 249 B9R0.4 CC(C)CC(=O)NCCF WXVL_AK00466SB0063 [1,1,0,0,0,0|2,0,0]=4 250 B9R0.4 CC(C)CC(=O)NCCF WXVL_AK00466SB0063 [1,1,0,0,0,0|2,0,0]=4 251 B9R0.4 CC(O)CC(=O)NCCF WXVL_AK00466SB3643 [1,1,0,0,0,0|2,0,0]=4 252 B9R0.4 CC(O)CC(=O)NCCF WXVL_AK00466SB3643 [1,1,0,0,0,0|2,0,0]=4 253 B9R0.4 CCCNC(=O)CC(C)C WXVL_AK00504SB0063 [1,1,0,0,0,0|1,0,0]=3 254 B9R0.4 CCCNC(=O)CC(C)C WXVL_AK00504SB0063 [1,1,0,0,0,0|1,0,0]=3 255 B9R0.4 CCCNC(=O)CC(C)O WXVL_AK00504SB3643 [1,1,0,0,0,0|1,0,0]=3 256 B9R0.4 CCCNC(=O)CC(C)O WXVL_AK00504SB3643 [1,1,0,0,0,0|1,0,0]=3 257 B9R0.4 CCCNC(=O)CN(C)C WXVL_AK00504SB0085 [1,1,0,0,0,0|2,0,0]=4 258 B9R0.4 CCCNC(=O)CN(C)C WXVL_AK00504SB0085 [1,1,0,0,0,0|2,0,0]=4 259 B9R0.4 CCOCC(=O)NC(C)C WXVL_AK0030SB0091 [1,1,0,0,0,0|2,0,0]=4 260 B9R0.4 CCOCC(=O)NC(C)C WXVL_AK0030SB0091 [1,1,0,0,0,0|2,0,0]=4 261 B9R0.4 CCSCC(=O)NC(C)C WXVL_AK0030SB0002 [1,1,0,0,0,0|2,0,0]=4 262 B9R0.4 CCSCC(=O)NC(C)C WXVL_AK0030SB0002 [1,1,0,0,0,0|2,0,0]=4 263 B9R0.4 COCCC(=O)NC(C)C WXVL_AK0030SB0156 [1,1,0,0,0,0|2,0,0]=4 264 B9R0.4 COCCC(=O)NC(C)C WXVL_AK0030SB0156 [1,1,0,0,0,0|2,0,0]=4 265 B9R0.4 CSCCC(=O)NC(C)C WXVL_AK0030SB0361 [1,1,0,0,0,0|2,0,0]=4 266 B9R0.4 CSCCC(=O)NC(C)C WXVL_AK0030SB0361 [1,1,0,0,0,0|2,0,0]=4 267 B9R0.5 C#CCC(=O)NCCCC WXVL_AK00588SB3070 [1,1,0,0,0,0|0,0,2]=4 268 B9R0.5 C#CCC(=O)NCCCC WXVL_AK00588SB3070 [1,1,0,0,0,0|0,0,2]=4 269 B9R0.5 C#CCCCC(=O)NCC WXVL_AK00476SB2709 [1,1,0,0,0,0|1,0,1]=4 270 B9R0.5 C#CCCCC(=O)NCC WXVL_AK00476SB2709 [1,1,0,0,0,0|1,0,1]=4 271 B9R0.5 C#CCCNC(=O)CCC WXVL_AK3109SB0073 [1,1,0,0,0,0|0,0,2]=4 272 B9R0.5 C#CCCNC(=O)CCC WXVL_AK3109SB0073 [1,1,0,0,0,0|0,0,2]=4 273 B9R0.5 C/C=C/C(=O)NCCCC WXVL_AK00588SB0340 [1,1,0,0,0,0|0,0,2]=4 274 B9R0.5 C/C=C/C(=O)NCCCC WXVL_AK00588SB0340 [1,1,0,0,0,0|0,0,2]=4 275 B9R0.5 C=CCC(=O)NCCCC WXVL_AK00588SB2732 [1,1,0,0,0,0|0,0,2]=4 276 B9R0.5 C=CCC(=O)NCCCC WXVL_AK00588SB2732 [1,1,0,0,0,0|0,0,2]=4 277 B9R0.5 C=CCCCC(=O)NCC WXVL_AK00476SB2920 [1,1,0,0,0,0|1,0,1]=4 278 B9R0.5 C=CCCCC(=O)NCC WXVL_AK00476SB2920 [1,1,0,0,0,0|1,0,1]=4 279 B9R0.5 C=CCCNC(=O)CCC WXVL_AK00138SB0073 [1,1,0,0,0,0|0,0,2]=4 280 B9R0.5 C=CCCNC(=O)CCC WXVL_AK00138SB0073 [1,1,0,0,0,0|0,0,2]=4 281 B9R0.5 CC#CC(=O)NCCCC WXVL_AK00588SB1240 [1,1,0,0,0,0|0,0,2]=4 282 B9R0.5 CC#CC(=O)NCCCC WXVL_AK00588SB1240 [1,1,0,0,0,0|0,0,2]=4 283 B9R0.5 CC/C=C/CC(=O)NCC WXVL_AK00476SB0349 [1,1,0,0,0,0|1,0,1]=4 284 B9R0.5 CC/C=C/CC(=O)NCC WXVL_AK00476SB0349 [1,1,0,0,0,0|1,0,1]=4 285 B9R0.5 CCCC(=O)NCCC#N WXVL_AK0087SB0073 [1,1,0,0,0,0|1,0,1]=4 286 B9R0.5 CCCC(=O)NCCC#N WXVL_AK0087SB0073 [1,1,0,0,0,0|1,0,1]=4 287 B9R0.5 CCCC(=O)NCCCO WXVL_AK0073SB0073 [1,1,0,0,0,0|1,0,0]=3 288 B9R0.5 CCCC(=O)NCCCO WXVL_AK0073SB0073 [1,1,0,0,0,0|1,0,0]=3 289 B9R0.5 CCCC(=O)NCCSC WXVL_AK00440SB0073 [1,1,0,0,0,0|1,0,0]=3 290 B9R0.5 CCCC(=O)NCCSC WXVL_AK00440SB0073 [1,1,0,0,0,0|1,0,0]=3 291 B9R0.5 CCCCNC(=O)CC#N WXVL_AK00588SB0057 [1,1,0,0,0,0|1,0,1]=4 292 B9R0.5 CCCCNC(=O)CC#N WXVL_AK00588SB0057 [1,1,0,0,0,0|1,0,1]=4 293 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [1,1,0,0,0,0|0,0,0]=2 294 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [1,1,0,0,0,0|0,0,0]=2 295 B9R0.5 CCCCNC(=O)COC WXVL_AK00588SB0090 [1,1,0,0,0,0|1,0,0]=3 296 B9R0.5 CCCCNC(=O)COC WXVL_AK00588SB0090 [1,1,0,0,0,0|1,0,0]=3 297 B9R0.5 CCCCNC(=O)CSC WXVL_AK00588SB1267 [1,1,0,0,0,0|1,0,0]=3 298 B9R0.5 CCCCNC(=O)CSC WXVL_AK00588SB1267 [1,1,0,0,0,0|1,0,0]=3 299 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [1,1,0,0,0,0|1,0,0]=3 300 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [1,1,0,0,0,0|1,0,0]=3 301 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [1,1,0,0,0,0|1,0,0]=3 302 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [1,1,0,0,0,0|1,0,0]=3 303 B9R0.5 CCNC(=O)NCCCCl WXVL_AK00476YV0130 [1,1,0,0,0,0|2,0,0]=4 304 B9R0.5 CCNC(=O)NCCCCl WXVL_AK00476YV0130 [1,1,0,0,0,0|2,0,0]=4 305 B9R0.5 COCC(=O)NCCCO WXVL_AK0073SB0090 [1,1,0,0,0,0|2,0,0]=4 306 B9R0.5 COCC(=O)NCCCO WXVL_AK0073SB0090 [1,1,0,0,0,0|2,0,0]=4 307 B9R0.5 COCC(=O)NCCSC WXVL_AK00440SB0090 [1,1,0,0,0,0|2,0,0]=4 308 B9R0.5 COCC(=O)NCCSC WXVL_AK00440SB0090 [1,1,0,0,0,0|2,0,0]=4 309 B9R0.5 CSCC(=O)NCCCO WXVL_AK0073SB1267 [1,1,0,0,0,0|2,0,0]=4 310 B9R0.5 CSCC(=O)NCCCO WXVL_AK0073SB1267 [1,1,0,0,0,0|2,0,0]=4 311 B9R0.5 CSCCNC(=O)CSC WXVL_AK00440SB1267 [1,1,0,0,0,0|2,0,0]=4 312 B9R0.5 CSCCNC(=O)CSC WXVL_AK00440SB1267 [1,1,0,0,0,0|2,0,0]=4 313 B9R0.8 CCC(C)C(=O)NCCF WXVL_AK00466SB0054 [1,1,0,0,0,0|2,0,0]=4 314 B9R0.8 CCC(C)C(=O)NCCF WXVL_AK00466SB0054 [1,1,0,0,0,0|2,0,0]=4 315 B9R0.8 CCCNC(=O)C(=O)CC WXVL_AK00504SB0344 [1,1,0,0,0,0|1,0,1]=4 316 B9R0.8 CCCNC(=O)C(=O)CC WXVL_AK00504SB0344 [1,1,0,0,0,0|1,0,1]=4 317 B9R0.8 CCCNC(=O)C(C)CC WXVL_AK00504SB0054 [1,1,0,0,0,0|1,0,0]=3 318 B9R0.8 CCCNC(=O)C(C)CC WXVL_AK00504SB0054 [1,1,0,0,0,0|1,0,0]=3 319 B9R0.8 CCCNC(=O)[C@@H](C)OC WXVL_AK00504SB2926 [1,1,0,0,0,0|2,0,0]=4 320 B9R0.8 CCCNC(=O)[C@@H](C)OC WXVL_AK00504SB2926 [1,1,0,0,0,0|2,0,0]=4 321 B9R0.8 CCCNC(=O)[C@@H](O)CC WXVL_AK00504SB3573 [1,1,0,0,0,0|1,0,0]=3 322 B9R0.8 CCCNC(=O)[C@@H](O)CC WXVL_AK00504SB3573 [1,1,0,0,0,0|1,0,0]=3 323 B9R0.8 CCCNC(=O)[C@H](C)CC WXVL_AK00504SB00054 [1,1,0,0,0,0|1,0,0]=3 324 B9R0.8 CCCNC(=O)[C@H](C)CC WXVL_AK00504SB00054 [1,1,0,0,0,0|1,0,0]=3 325 B9R0.8 CC[C@@H](C)C(=O)NCCF WXVL_AK00466SB00054 [1,1,0,0,0,0|2,0,0]=4 326 B9R0.8 CC[C@@H](C)C(=O)NCCF WXVL_AK00466SB00054 [1,1,0,0,0,0|2,0,0]=4 327 B9R0.8 CC[C@H](O)C(=O)NCCF WXVL_AK00466SB3573 [1,1,0,0,0,0|2,0,0]=4 328 B9R0.8 CC[C@H](O)C(=O)NCCF WXVL_AK00466SB3573 [1,1,0,0,0,0|2,0,0]=4 329 B9R0.18 C#CCCC(=O)NCCC WXVL_AK00504SB2189 [1,1,0,0,0,0|0,0,2]=4 330 B9R0.18 C#CCCC(=O)NCCC WXVL_AK00504SB2189 [1,1,0,0,0,0|0,0,2]=4 331 B9R0.18 C=CCCC(=O)NCCC WXVL_AK00504SB1035 [1,1,0,0,0,0|0,0,2]=4 332 B9R0.18 C=CCCC(=O)NCCC WXVL_AK00504SB1035 [1,1,0,0,0,0|0,0,2]=4 333 B9R0.18 CCCNC(=O)CCOC WXVL_AK00504SB0156 [1,1,0,0,0,0|1,0,0]=3 334 B9R0.18 CCCNC(=O)CCOC WXVL_AK00504SB0156 [1,1,0,0,0,0|1,0,0]=3 335 B9R0.18 CCCNC(=O)CCSC WXVL_AK00504SB0361 [1,1,0,0,0,0|1,0,0]=3 336 B9R0.18 CCCNC(=O)CCSC WXVL_AK00504SB0361 [1,1,0,0,0,0|1,0,0]=3 337 B9R0.18 CCCNC(=O)COCC WXVL_AK00504SB0091 [1,1,0,0,0,0|1,0,0]=3 338 B9R0.18 CCCNC(=O)COCC WXVL_AK00504SB0091 [1,1,0,0,0,0|1,0,0]=3 339 B9R0.18 CCCNC(=O)CSCC WXVL_AK00504SB0002 [1,1,0,0,0,0|1,0,0]=3 340 B9R0.18 CCCNC(=O)CSCC WXVL_AK00504SB0002 [1,1,0,0,0,0|1,0,0]=3 341 B9R0.18 CCCNC(=O)NCCCl WXVL_AK00504YV0092 [1,1,0,0,0,0|2,0,0]=4 342 B9R0.18 CCCNC(=O)NCCCl WXVL_AK00504YV0092 [1,1,0,0,0,0|2,0,0]=4 343 B9R0.18 CCOCC(=O)NCCF WXVL_AK00466SB0091 [1,1,0,0,0,0|2,0,0]=4 344 B9R0.18 CCOCC(=O)NCCF WXVL_AK00466SB0091 [1,1,0,0,0,0|2,0,0]=4 345 B9R0.18 CCSCC(=O)NCCF WXVL_AK00466SB0002 [1,1,0,0,0,0|2,0,0]=4 346 B9R0.18 CCSCC(=O)NCCF WXVL_AK00466SB0002 [1,1,0,0,0,0|2,0,0]=4 347 B9R0.18 COCCC(=O)NCCF WXVL_AK00466SB0156 [1,1,0,0,0,0|2,0,0]=4 348 B9R0.18 COCCC(=O)NCCF WXVL_AK00466SB0156 [1,1,0,0,0,0|2,0,0]=4 349 B9R0.18 CSCCC(=O)NCCF WXVL_AK00466SB0361 [1,1,0,0,0,0|2,0,0]=4 350 B9R0.18 CSCCC(=O)NCCF WXVL_AK00466SB0361 [1,1,0,0,0,0|2,0,0]=4 351 B9R0.34 CCCC(=O)N[C@@H](C)CC WXVL_AK00678SB0073 [1,1,0,0,0,0|1,0,0]=3 352 B9R0.34 CCCC(=O)N[C@@H](C)CC WXVL_AK00678SB0073 [1,1,0,0,0,0|1,0,0]=3 353 B9R0.34 CCCC(=O)N[C@@H](C)CF WXVL_AK00558SB0073 [1,1,0,0,0,0|2,0,0]=4 354 B9R0.34 CCCC(=O)N[C@@H](C)CF WXVL_AK00558SB0073 [1,1,0,0,0,0|2,0,0]=4 355 B9R0.34 CCCC(=O)N[C@@H](C)CO WXVL_AK0109SB0073 [1,1,0,0,0,0|2,0,0]=4 356 B9R0.34 CCCC(=O)N[C@@H](C)CO WXVL_AK0109SB0073 [1,1,0,0,0,0|2,0,0]=4 357 B9R0.34 CCNC(=O)CC(C)CC WXVL_AK00476SB0353 [1,1,0,0,0,0|1,0,0]=3 358 B9R0.34 CCNC(=O)CC(C)CC WXVL_AK00476SB0353 [1,1,0,0,0,0|1,0,0]=3 359 B9R0.34 CCNC(=O)CC(O)CC WXVL_AK00476SB4092 [1,1,0,0,0,0|1,0,0]=3 360 B9R0.34 CCNC(=O)CC(O)CC WXVL_AK00476SB4092 [1,1,0,0,0,0|1,0,0]=3 361 B9R0.34 CCNC(=O)C[C@H](C)CC WXVL_AK00476SB8650 [1,1,0,0,0,0|1,0,0]=3 362 B9R0.34 CCNC(=O)C[C@H](C)CC WXVL_AK00476SB8650 [1,1,0,0,0,0|1,0,0]=3 363 B9R0.34 CC[C@H](C)NC(=O)COC WXVL_AK00678SB0090 [1,1,0,0,0,0|2,0,0]=4 364 B9R0.34 CC[C@H](C)NC(=O)COC WXVL_AK00678SB0090 [1,1,0,0,0,0|2,0,0]=4 365 B9R0.34 CC[C@H](C)NC(=O)CSC WXVL_AK00678SB1267 [1,1,0,0,0,0|2,0,0]=4 366 B9R0.34 CC[C@H](C)NC(=O)CSC WXVL_AK00678SB1267 [1,1,0,0,0,0|2,0,0]=4 367 B9R0.48 C=C(C)CNC(=O)CCC WXVL_AK0761SB0073 [1,1,0,0,0,0|1,0,1]=4 368 B9R0.48 C=C(C)CNC(=O)CCC WXVL_AK0761SB0073 [1,1,0,0,0,0|1,0,1]=4 369 B9R0.48 CCCC(=O)NCC(C)C WXVL_AK00544SB0073 [1,1,0,0,0,0|1,0,0]=3 370 B9R0.48 CCCC(=O)NCC(C)C WXVL_AK00544SB0073 [1,1,0,0,0,0|1,0,0]=3 371 B9R0.48 CCCC(=O)NCC(C)O WXVL_AK0052SB0073 [1,1,0,0,0,0|1,0,0]=3 372 B9R0.48 CCCC(=O)NCC(C)O WXVL_AK0052SB0073 [1,1,0,0,0,0|1,0,0]=3 373 B9R0.48 CCCC(=O)NCC(F)F WXVL_AK0136SB0073 [1,1,0,0,0,0|2,0,0]=4 374 B9R0.48 CCCC(=O)NCC(F)F WXVL_AK0136SB0073 [1,1,0,0,0,0|2,0,0]=4 375 B9R0.48 CCCC(=O)NC[C@H](C)O WXVL_AK0113SB0073 [1,1,0,0,0,0|1,0,0]=3 376 B9R0.48 CCCC(=O)NC[C@H](C)O WXVL_AK0113SB0073 [1,1,0,0,0,0|1,0,0]=3 377 B9R0.48 CCNC(=O)CCC(=O)C WXVL_AK00476SB0072 [1,1,0,0,0,0|1,0,1]=4 378 B9R0.48 CCNC(=O)CCC(=O)C WXVL_AK00476SB0072 [1,1,0,0,0,0|1,0,1]=4 379 B9R0.48 CCNC(=O)CCC(C)C WXVL_AK00476SB0354 [1,1,0,0,0,0|1,0,0]=3 380 B9R0.48 CCNC(=O)CCC(C)C WXVL_AK00476SB0354 [1,1,0,0,0,0|1,0,0]=3 381 B9R0.48 CCNC(=O)CCN(C)C WXVL_AK00476SB00052 [1,1,0,0,0,0|2,0,0]=4 382 B9R0.48 CCNC(=O)CCN(C)C WXVL_AK00476SB00052 [1,1,0,0,0,0|2,0,0]=4 383 B9R0.48 CCNC(=O)COC(C)C WXVL_AK00476SB0213 [1,1,0,0,0,0|2,0,0]=4 384 B9R0.48 CCNC(=O)COC(C)C WXVL_AK00476SB0213 [1,1,0,0,0,0|2,0,0]=4 385 B9R0.48 COCC(=O)NCC(C)C WXVL_AK00544SB0090 [1,1,0,0,0,0|2,0,0]=4 386 B9R0.48 COCC(=O)NCC(C)C WXVL_AK00544SB0090 [1,1,0,0,0,0|2,0,0]=4 387 B9R0.48 COCC(=O)NCC(C)O WXVL_AK0052SB0090 [1,1,0,0,0,0|2,0,0]=4 388 B9R0.48 COCC(=O)NCC(C)O WXVL_AK0052SB0090 [1,1,0,0,0,0|2,0,0]=4 389 B9R0.48 COCC(=O)NC[C@H](C)O WXVL_AK0113SB0090 [1,1,0,0,0,0|2,0,0]=4 390 B9R0.48 COCC(=O)NC[C@H](C)O WXVL_AK0113SB0090 [1,1,0,0,0,0|2,0,0]=4 391 B9R0.48 CSCC(=O)NCC(C)C WXVL_AK00544SB1267 [1,1,0,0,0,0|2,0,0]=4 392 B9R0.48 CSCC(=O)NCC(C)C WXVL_AK00544SB1267 [1,1,0,0,0,0|2,0,0]=4 393 B9R0.48 CSCC(=O)NCC(C)O WXVL_AK0052SB1267 [1,1,0,0,0,0|2,0,0]=4 394 B9R0.48 CSCC(=O)NCC(C)O WXVL_AK0052SB1267 [1,1,0,0,0,0|2,0,0]=4 395 B9R0.48 CSCC(=O)NC[C@H](C)O WXVL_AK0113SB1267 [1,1,0,0,0,0|2,0,0]=4 396 B9R0.48 CSCC(=O)NC[C@H](C)O WXVL_AK0113SB1267 [1,1,0,0,0,0|2,0,0]=4 397 B9R0.66 CCCCS(=O)(=O)NCC WXVL_AK00476HU0031 [1,1,0,0,0,0|2,0,0]=4 398 B9R0.66 CCCCS(=O)(=O)NCC WXVL_AK00476HU0031 [1,1,0,0,0,0|2,0,0]=4 399 B9R0.66 CCCNS(=O)(=O)CCC WXVL_AK00504HU0030 [1,1,0,0,0,0|2,0,0]=4 400 B9R0.66 CCCNS(=O)(=O)CCC WXVL_AK00504HU0030 [1,1,0,0,0,0|2,0,0]=4 401 B9R0.6 CCCC(=O)N(C)C(C)C WXVL_AN0073SB0073 [1,1,0,0,0,0|2,0,0]=4 402 B9R0.6 CCCC(=O)N(C)C(C)C WXVL_AN0073SB0073 [1,1,0,0,0,0|2,0,0]=4 403 B9R0.6 CCCC(C)C(=O)N(C)C WXVL_AN0032SB0352 [1,1,0,0,0,0|2,0,0]=4 404 B9R0.6 CCCC(C)C(=O)N(C)C WXVL_AN0032SB0352 [1,1,0,0,0,0|2,0,0]=4 405 B9R0.6 CCC[C@H](O)C(=O)N(C)C WXVL_AN0032SB3627 [1,1,0,0,0,0|1,0,0]=3 406 B9R0.6 CCC[C@H](O)C(=O)N(C)C WXVL_AN0032SB3627 [1,1,0,0,0,0|1,0,0]=3 407 B9R0.6 CCNC(=O)C(O)C(C)C WXVL_AK00476SB1147 [1,1,0,0,0,0|1,0,0]=3 408 B9R0.6 CCNC(=O)C(O)C(C)C WXVL_AK00476SB1147 [1,1,0,0,0,0|1,0,0]=3 409 B9R0.19 CCNC(=O)C(C)(C)CC WXVL_AK00476SB0355 [1,1,0,0,0,0|2,0,0]=4 410 B9R0.19 CCNC(=O)C(C)(C)CC WXVL_AK00476SB0355 [1,1,0,0,0,0|2,0,0]=4 411 B9R0.19 CCNC(=O)C(C)(O)CC WXVL_AK00476SB3009 [1,1,0,0,0,0|1,0,0]=3 412 B9R0.19 CCNC(=O)C(C)(O)CC WXVL_AK00476SB3009 [1,1,0,0,0,0|1,0,0]=3 413 B9R0.23 CCC(C)C(=O)NC(C)C WXVL_AK0030SB0054 [1,1,0,0,0,0|2,0,0]=4 414 B9R0.23 CCC(C)C(=O)NC(C)C WXVL_AK0030SB0054 [1,1,0,0,0,0|2,0,0]=4 415 B9R0.23 CC[C@@H](C)C(=O)NC(C)C WXVL_AK0030SB00054 [1,1,0,0,0,0|2,0,0]=4 416 B9R0.23 CC[C@@H](C)C(=O)NC(C)C WXVL_AK0030SB00054 [1,1,0,0,0,0|2,0,0]=4 417 B9R0.23 CC[C@H](O)C(=O)NC(C)C WXVL_AK0030SB3573 [1,1,0,0,0,0|1,0,0]=3 418 B9R0.23 CC[C@H](O)C(=O)NC(C)C WXVL_AK0030SB3573 [1,1,0,0,0,0|1,0,0]=3 419 B9R0.23 CNC(=O)C(O)CC(C)C WXVL_AK00442SB4281 [1,1,0,0,0,0|1,0,0]=3 420 B9R0.23 CNC(=O)C(O)CC(C)C WXVL_AK00442SB4281 [1,1,0,0,0,0|1,0,0]=3 421 B9R0.37 CCCC(=O)N(CC)CC WXVL_AN0042SB0073 [1,1,0,0,0,0|2,0,0]=4 422 B9R0.37 CCCC(=O)N(CC)CC WXVL_AN0042SB0073 [1,1,0,0,0,0|2,0,0]=4 423 B9R0.37 CCNC(=O)C(CC)CC WXVL_AK00476SB0055 [1,1,0,0,0,0|2,0,0]=4 424 B9R0.37 CCNC(=O)C(CC)CC WXVL_AK00476SB0055 [1,1,0,0,0,0|2,0,0]=4 425 B9R0.37 CCNC(=O)C(OC)OC WXVL_AK00476SB8546 [1,1,0,0,0,0|2,0,0]=4 426 B9R0.37 CCNC(=O)C(OC)OC WXVL_AK00476SB8546 [1,1,0,0,0,0|2,0,0]=4 427 B9R0.60 CCCC(C)(C)C(=O)NC WXVL_AK00442SB0372 [1,1,0,0,0,0|2,0,0]=4 428 B9R0.60 CCCC(C)(C)C(=O)NC WXVL_AK00442SB0372 [1,1,0,0,0,0|2,0,0]=4 429 B11R0.1 CC(C)CC(=O)NC(C)CCO WXVL_AK1288SB0063 [0,1,0,0,0,1|2,0,0]=4 430 B11R0.1 CC(C)CC(=O)NC(C)CCO WXVL_AK1288SB0063 [0,1,0,0,0,1|2,0,0]=4 431 B11R0.1 CC(O)CC(=O)NC(C)CCO WXVL_AK1288SB3643 [0,1,0,0,0,1|2,0,0]=4 432 B11R0.1 CC(O)CC(=O)NC(C)CCO WXVL_AK1288SB3643 [0,1,0,0,0,1|2,0,0]=4 433 B11R0.1 CCCC(=O)NC(C)CN(C)C WXVL_AK0938SB0073 [0,1,0,0,0,1|2,0,0]=4 434 B11R0.1 CCCC(=O)NC(C)CN(C)C WXVL_AK0938SB0073 [0,1,0,0,0,1|2,0,0]=4 435 B11R0.1 CCC[C@H](C)NC(=O)CC(C)C WXVL_AK00682SB0063 [0,1,0,0,0,1|1,0,0]=3 436 B11R0.1 CCC[C@H](C)NC(=O)CC(C)C WXVL_AK00682SB0063 [0,1,0,0,0,1|1,0,0]=3 437 B11R0.1 CCC[C@H](C)NC(=O)CC(C)O WXVL_AK00682SB3643 [0,1,0,0,0,1|1,0,0]=3 438 B11R0.1 CCC[C@H](C)NC(=O)CC(C)O WXVL_AK00682SB3643 [0,1,0,0,0,1|1,0,0]=3 439 B11R0.1 CCC[C@H](C)NC(=O)CN(C)C WXVL_AK00682SB0085 [0,1,0,0,0,1|2,0,0]=4 440 B11R0.1 CCC[C@H](C)NC(=O)CN(C)C WXVL_AK00682SB0085 [0,1,0,0,0,1|2,0,0]=4 441 B11R0.1 COC[C@@H](C)NC(=O)CC(C)C WXVL_AK00613SB0063 [0,1,0,0,0,1|2,0,0]=4 442 B11R0.1 COC[C@@H](C)NC(=O)CC(C)C WXVL_AK00613SB0063 [0,1,0,0,0,1|2,0,0]=4 443 B11R0.1 COC[C@@H](C)NC(=O)CC(C)O WXVL_AK00613SB3643 [0,1,0,0,0,1|2,0,0]=4 444 B11R0.1 COC[C@@H](C)NC(=O)CC(C)O WXVL_AK00613SB3643 [0,1,0,0,0,1|2,0,0]=4 445 B11R0.1 COC[C@H](C)NC(=O)CC(C)C WXVL_AK0137SB0063 [0,1,0,0,0,1|2,0,0]=4 446 B11R0.1 COC[C@H](C)NC(=O)CC(C)C WXVL_AK0137SB0063 [0,1,0,0,0,1|2,0,0]=4 447 B11R0.1 COC[C@H](C)NC(=O)CC(C)O WXVL_AK0137SB3643 [0,1,0,0,0,1|2,0,0]=4 448 B11R0.1 COC[C@H](C)NC(=O)CC(C)O WXVL_AK0137SB3643 [0,1,0,0,0,1|2,0,0]=4 449 B11R0.5 C#CCCC(=O)N[C@@H](C)CCC WXVL_AK00682SB2189 [0,1,0,0,0,1|1,0,1]=4 450 B11R0.5 C#CCCC(=O)N[C@@H](C)CCC WXVL_AK00682SB2189 [0,1,0,0,0,1|1,0,1]=4 451 B11R0.5 C=CCCC(=O)N[C@@H](C)CCC WXVL_AK00682SB1035 [0,1,0,0,0,1|1,0,1]=4 452 B11R0.5 C=CCCC(=O)N[C@@H](C)CCC WXVL_AK00682SB1035 [0,1,0,0,0,1|1,0,1]=4 453 B11R0.5 CCC[C@H](C)NC(=O)CCOC WXVL_AK00682SB0156 [0,1,0,0,0,1|1,0,0]=3 454 B11R0.5 CCC[C@H](C)NC(=O)CCOC WXVL_AK00682SB0156 [0,1,0,0,0,1|1,0,0]=3 455 B11R0.5 CCC[C@H](C)NC(=O)CCSC WXVL_AK00682SB0361 [0,1,0,0,0,1|1,0,0]=3 456 B11R0.5 CCC[C@H](C)NC(=O)CCSC WXVL_AK00682SB0361 [0,1,0,0,0,1|1,0,0]=3 457 B11R0.5 CCC[C@H](C)NC(=O)COCC WXVL_AK00682SB0091 [0,1,0,0,0,1|1,0,0]=3 458 B11R0.5 CCC[C@H](C)NC(=O)COCC WXVL_AK00682SB0091 [0,1,0,0,0,1|1,0,0]=3 459 B11R0.5 CCC[C@H](C)NC(=O)CSCC WXVL_AK00682SB0002 [0,1,0,0,0,1|1,0,0]=3 460 B11R0.5 CCC[C@H](C)NC(=O)CSCC WXVL_AK00682SB0002 [0,1,0,0,0,1|1,0,0]=3 461 B11R0.5 CCC[C@H](C)NC(=O)NCCCl WXVL_AK00682YV0092 [0,1,0,0,0,1|2,0,0]=4 462 B11R0.5 CCC[C@H](C)NC(=O)NCCCl WXVL_AK00682YV0092 [0,1,0,0,0,1|2,0,0]=4 463 B11R0.5 CCOCC(=O)NC(C)CCO WXVL_AK1288SB0091 [0,1,0,0,0,1|2,0,0]=4 464 B11R0.5 CCOCC(=O)NC(C)CCO WXVL_AK1288SB0091 [0,1,0,0,0,1|2,0,0]=4 465 B11R0.5 CCOCC(=O)N[C@@H](C)COC WXVL_AK0137SB0091 [0,1,0,0,0,1|2,0,0]=4 466 B11R0.5 CCOCC(=O)N[C@@H](C)COC WXVL_AK0137SB0091 [0,1,0,0,0,1|2,0,0]=4 467 B11R0.5 CCOCC(=O)N[C@H](C)COC WXVL_AK00613SB0091 [0,1,0,0,0,1|2,0,0]=4 468 B11R0.5 CCOCC(=O)N[C@H](C)COC WXVL_AK00613SB0091 [0,1,0,0,0,1|2,0,0]=4 469 B11R0.5 CCSCC(=O)NC(C)CCO WXVL_AK1288SB0002 [0,1,0,0,0,1|2,0,0]=4 470 B11R0.5 CCSCC(=O)NC(C)CCO WXVL_AK1288SB0002 [0,1,0,0,0,1|2,0,0]=4 471 B11R0.5 CCSCC(=O)N[C@@H](C)COC WXVL_AK0137SB0002 [0,1,0,0,0,1|2,0,0]=4 472 B11R0.5 CCSCC(=O)N[C@@H](C)COC WXVL_AK0137SB0002 [0,1,0,0,0,1|2,0,0]=4 473 B11R0.5 CCSCC(=O)N[C@H](C)COC WXVL_AK00613SB0002 [0,1,0,0,0,1|2,0,0]=4 474 B11R0.5 CCSCC(=O)N[C@H](C)COC WXVL_AK00613SB0002 [0,1,0,0,0,1|2,0,0]=4 475 B11R0.5 COCCC(=O)NC(C)CCO WXVL_AK1288SB0156 [0,1,0,0,0,1|2,0,0]=4 476 B11R0.5 COCCC(=O)NC(C)CCO WXVL_AK1288SB0156 [0,1,0,0,0,1|2,0,0]=4 477 B11R0.5 COCCC(=O)N[C@@H](C)COC WXVL_AK0137SB0156 [0,1,0,0,0,1|2,0,0]=4 478 B11R0.5 COCCC(=O)N[C@@H](C)COC WXVL_AK0137SB0156 [0,1,0,0,0,1|2,0,0]=4 479 B11R0.5 COCCC(=O)N[C@H](C)COC WXVL_AK00613SB0156 [0,1,0,0,0,1|2,0,0]=4 480 B11R0.5 COCCC(=O)N[C@H](C)COC WXVL_AK00613SB0156 [0,1,0,0,0,1|2,0,0]=4 481 B11R0.5 COC[C@@H](C)NC(=O)CCSC WXVL_AK00613SB0361 [0,1,0,0,0,1|2,0,0]=4 482 B11R0.5 COC[C@@H](C)NC(=O)CCSC WXVL_AK00613SB0361 [0,1,0,0,0,1|2,0,0]=4 483 B11R0.5 COC[C@H](C)NC(=O)CCSC WXVL_AK0137SB0361 [0,1,0,0,0,1|2,0,0]=4 484 B11R0.5 COC[C@H](C)NC(=O)CCSC WXVL_AK0137SB0361 [0,1,0,0,0,1|2,0,0]=4 485 B11R0.5 CSCCC(=O)NC(C)CCO WXVL_AK1288SB0361 [0,1,0,0,0,1|2,0,0]=4 486 B11R0.5 CSCCC(=O)NC(C)CCO WXVL_AK1288SB0361 [0,1,0,0,0,1|2,0,0]=4 487 B11R0.182 C#CCC(=O)N[C@H](CO)CCC WXVL_AK2551SB3070 [0,1,0,0,0,1|0,0,2]=4 488 B11R0.182 C#CCC(=O)N[C@H](CO)CCC WXVL_AK2551SB3070 [0,1,0,0,0,1|0,0,2]=4 489 B11R0.182 C/C=C/C(=O)N[C@H](CO)CCC WXVL_AK2551SB0340 [0,1,0,0,0,1|0,0,2]=4 490 B11R0.182 C/C=C/C(=O)N[C@H](CO)CCC WXVL_AK2551SB0340 [0,1,0,0,0,1|0,0,2]=4 491 B11R0.182 C=CCC(=O)N[C@H](CO)CCC WXVL_AK2551SB2732 [0,1,0,0,0,1|0,0,2]=4 492 B11R0.182 C=CCC(=O)N[C@H](CO)CCC WXVL_AK2551SB2732 [0,1,0,0,0,1|0,0,2]=4 493 B11R0.182 C=CCC(CO)NC(=O)CCC WXVL_AK00621SB0073 [0,1,0,0,0,1|0,0,2]=4 494 B11R0.182 C=CCC(CO)NC(=O)CCC WXVL_AK00621SB0073 [0,1,0,0,0,1|0,0,2]=4 495 B11R0.182 CC#CC(=O)N[C@H](CO)CCC WXVL_AK2551SB1240 [0,1,0,0,0,1|0,0,2]=4 496 B11R0.182 CC#CC(=O)N[C@H](CO)CCC WXVL_AK2551SB1240 [0,1,0,0,0,1|0,0,2]=4 497 B11R0.182 CCCC(=O)N[C@H](CO)CCC WXVL_AK2551SB0073 [0,1,0,0,0,1|0,0,0]=2 498 B11R0.182 CCCC(=O)N[C@H](CO)CCC WXVL_AK2551SB0073 [0,1,0,0,0,1|0,0,0]=2 499 B11R0.182 CCC[C@@H](CO)NC(=O)CC#N WXVL_AK2551SB0057 [0,1,0,0,0,1|1,0,1]=4 500 B11R0.182 CCC[C@@H](CO)NC(=O)CC#N WXVL_AK2551SB0057 [0,1,0,0,0,1|1,0,1]=4 501 B11R0.182 CCC[C@@H](CO)NC(=O)COC WXVL_AK2551SB0090 [0,1,0,0,0,1|1,0,0]=3 502 B11R0.182 CCC[C@@H](CO)NC(=O)COC WXVL_AK2551SB0090 [0,1,0,0,0,1|1,0,0]=3 503 B11R0.182 CCC[C@@H](CO)NC(=O)CSC WXVL_AK2551SB1267 [0,1,0,0,0,1|1,0,0]=3 504 B11R0.182 CCC[C@@H](CO)NC(=O)CSC WXVL_AK2551SB1267 [0,1,0,0,0,1|1,0,0]=3 505 B11R0.187 CCC(C)C(=O)NC(C)CCO WXVL_AK1288SB0054 [0,1,0,0,0,1|2,0,0]=4 506 B11R0.187 CCC(C)C(=O)NC(C)CCO WXVL_AK1288SB0054 [0,1,0,0,0,1|2,0,0]=4 507 B11R0.187 CCC(C)C(=O)N[C@@H](C)COC WXVL_AK0137SB0054 [0,1,0,0,0,1|2,0,0]=4 508 B11R0.187 CCC(C)C(=O)N[C@@H](C)COC WXVL_AK0137SB0054 [0,1,0,0,0,1|2,0,0]=4 509 B11R0.187 CCC(C)C(=O)N[C@H](C)COC WXVL_AK00613SB0054 [0,1,0,0,0,1|2,0,0]=4 510 B11R0.187 CCC(C)C(=O)N[C@H](C)COC WXVL_AK00613SB0054 [0,1,0,0,0,1|2,0,0]=4 511 B11R0.187 CCC[C@H](C)NC(=O)C(=O)CC WXVL_AK00682SB0344 [0,1,0,0,0,1|1,0,1]=4 512 B11R0.187 CCC[C@H](C)NC(=O)C(=O)CC WXVL_AK00682SB0344 [0,1,0,0,0,1|1,0,1]=4 513 B11R0.187 CCC[C@H](C)NC(=O)C(C)CC WXVL_AK00682SB0054 [0,1,0,0,0,1|1,0,0]=3 514 B11R0.187 CCC[C@H](C)NC(=O)C(C)CC WXVL_AK00682SB0054 [0,1,0,0,0,1|1,0,0]=3 515 B11R0.187 CCC[C@H](C)NC(=O)[C@@H](C)OC WXVL_AK00682SB2926 [0,1,0,0,0,1|2,0,0]=4 516 B11R0.187 CCC[C@H](C)NC(=O)[C@@H](C)OC WXVL_AK00682SB2926 [0,1,0,0,0,1|2,0,0]=4 517 B11R0.187 CCC[C@H](C)NC(=O)[C@@H](O)CC WXVL_AK00682SB3573 [0,1,0,0,0,1|1,0,0]=3 518 B11R0.187 CCC[C@H](C)NC(=O)[C@@H](O)CC WXVL_AK00682SB3573 [0,1,0,0,0,1|1,0,0]=3 519 B11R0.187 CCC[C@H](C)NC(=O)[C@H](C)CC WXVL_AK00682SB00054 [0,1,0,0,0,1|1,0,0]=3 520 B11R0.187 CCC[C@H](C)NC(=O)[C@H](C)CC WXVL_AK00682SB00054 [0,1,0,0,0,1|1,0,0]=3 521 B11R0.187 CC[C@@H](C)C(=O)NC(C)CCO WXVL_AK1288SB00054 [0,1,0,0,0,1|2,0,0]=4 522 B11R0.187 CC[C@@H](C)C(=O)NC(C)CCO WXVL_AK1288SB00054 [0,1,0,0,0,1|2,0,0]=4 523 B11R0.187 CC[C@@H](C)C(=O)N[C@@H](C)COC WXVL_AK0137SB00054 [0,1,0,0,0,1|2,0,0]=4 524 B11R0.187 CC[C@@H](C)C(=O)N[C@@H](C)COC WXVL_AK0137SB00054 [0,1,0,0,0,1|2,0,0]=4 525 B11R0.187 CC[C@@H](C)C(=O)N[C@H](C)COC WXVL_AK00613SB00054 [0,1,0,0,0,1|2,0,0]=4 526 B11R0.187 CC[C@@H](C)C(=O)N[C@H](C)COC WXVL_AK00613SB00054 [0,1,0,0,0,1|2,0,0]=4 527 B11R0.187 CC[C@H](O)C(=O)NC(C)CCO WXVL_AK1288SB3573 [0,1,0,0,0,1|2,0,0]=4 528 B11R0.187 CC[C@H](O)C(=O)NC(C)CCO WXVL_AK1288SB3573 [0,1,0,0,0,1|2,0,0]=4 529 B11R0.187 CC[C@H](O)C(=O)N[C@@H](C)COC WXVL_AK0137SB3573 [0,1,0,0,0,1|2,0,0]=4 530 B11R0.187 CC[C@H](O)C(=O)N[C@@H](C)COC WXVL_AK0137SB3573 [0,1,0,0,0,1|2,0,0]=4 531 B11R0.187 CC[C@H](O)C(=O)N[C@H](C)COC WXVL_AK00613SB3573 [0,1,0,0,0,1|2,0,0]=4 532 B11R0.187 CC[C@H](O)C(=O)N[C@H](C)COC WXVL_AK00613SB3573 [0,1,0,0,0,1|2,0,0]=4 533 B11R0.353 CCCC(=O)NC(C)(C)COC WXVL_AK1295SB0073 [0,1,0,0,0,1|2,0,0]=4 534 B11R0.353 CCCC(=O)NC(C)(C)COC WXVL_AK1295SB0073 [0,1,0,0,0,1|2,0,0]=4 535 B11R0.353 CCC[C@H](C)NS(=O)(=O)CCC WXVL_AK00682HU0030 [0,1,0,0,0,1|2,0,0]=4 536 B11R0.353 CCC[C@H](C)NS(=O)(=O)CCC WXVL_AK00682HU0030 [0,1,0,0,0,1|2,0,0]=4 537 B11R0.11 C=CCNC(=O)C(O)CCCC WXVL_AK00561SB3429 [0,2,0,0,0,0|0,0,2]=4 538 B11R0.11 C=CCNC(=O)C(O)CCCC WXVL_AK00561SB3429 [0,2,0,0,0,0|0,0,2]=4 539 B11R0.11 CCCCC(O)C(=O)NCC#N WXVL_AK0683SB3429 [0,2,0,0,0,0|1,0,1]=4 540 B11R0.11 CCCCC(O)C(=O)NCC#N WXVL_AK0683SB3429 [0,2,0,0,0,0|1,0,1]=4 541 B11R0.11 CCCCC(O)C(=O)NCCC WXVL_AK00504SB3429 [0,2,0,0,0,0|0,0,0]=2 542 B11R0.11 CCCCC(O)C(=O)NCCC WXVL_AK00504SB3429 [0,2,0,0,0,0|0,0,0]=2 543 B11R0.11 CCCCC(O)C(=O)NCCF WXVL_AK00466SB3429 [0,2,0,0,0,0|1,0,0]=3 544 B11R0.11 CCCCC(O)C(=O)NCCF WXVL_AK00466SB3429 [0,2,0,0,0,0|1,0,0]=3 545 B11R0.11 CCOCC(=O)N(C)CCOC WXVL_AN0085SB0091 [0,2,0,0,0,0|2,0,0]=4 546 B11R0.11 CCOCC(=O)N(C)CCOC WXVL_AN0085SB0091 [0,2,0,0,0,0|2,0,0]=4 547 B11R0.11 CCSCC(=O)N(C)CCOC WXVL_AN0085SB0002 [0,2,0,0,0,0|2,0,0]=4 548 B11R0.11 CCSCC(=O)N(C)CCOC WXVL_AN0085SB0002 [0,2,0,0,0,0|2,0,0]=4 549 B11R0.11 COCCC(=O)N(C)CCOC WXVL_AN0085SB0156 [0,2,0,0,0,0|2,0,0]=4 550 B11R0.11 COCCC(=O)N(C)CCOC WXVL_AN0085SB0156 [0,2,0,0,0,0|2,0,0]=4 551 B11R0.11 COCCN(C)C(=O)CCSC WXVL_AN0085SB0361 [0,2,0,0,0,0|2,0,0]=4 552 B11R0.11 COCCN(C)C(=O)CCSC WXVL_AN0085SB0361 [0,2,0,0,0,0|2,0,0]=4 553 B11R0.12 CCCC(C)(C)C(=O)NCCF WXVL_AK00466SB0372 [0,2,0,0,0,0|2,0,0]=4 554 B11R0.12 CCCC(C)(C)C(=O)NCCF WXVL_AK00466SB0372 [0,2,0,0,0,0|2,0,0]=4 555 B11R0.12 CCCNC(=O)C(C)(C)CCC WXVL_AK00504SB0372 [0,2,0,0,0,0|1,0,0]=3 556 B11R0.12 CCCNC(=O)C(C)(C)CCC WXVL_AK00504SB0372 [0,2,0,0,0,0|1,0,0]=3 557 B11R0.12 CCCNC(=O)C(C)(C)CSC WXVL_AK00504SBF473 [0,2,0,0,0,0|2,0,0]=4 558 B11R0.12 CCCNC(=O)C(C)(C)CSC WXVL_AK00504SBF473 [0,2,0,0,0,0|2,0,0]=4 559 B11R0.43 C#C[C@@H](C)NC(=O)C(C)CCC WXVL_AK00735SB0352 [0,2,0,0,0,0|2,0,0]=4 560 B11R0.43 C#C[C@@H](C)NC(=O)C(C)CCC WXVL_AK00735SB0352 [0,2,0,0,0,0|2,0,0]=4 561 B11R0.43 C#C[C@@H](C)NC(=O)[C@@H](O)CCC WXVL_AK00735SB3627 [0,2,0,0,0,0|1,0,0]=3 562 B11R0.43 C#C[C@@H](C)NC(=O)[C@@H](O)CCC WXVL_AK00735SB3627 [0,2,0,0,0,0|1,0,0]=3 563 B11R0.43 C=CC(C)NC(=O)C(C)CCC WXVL_AK00769SB0352 [0,2,0,0,0,0|2,0,0]=4 564 B11R0.43 C=CC(C)NC(=O)C(C)CCC WXVL_AK00769SB0352 [0,2,0,0,0,0|2,0,0]=4 565 B11R0.43 C=CC(C)NC(=O)[C@@H](O)CCC WXVL_AK00769SB3627 [0,2,0,0,0,0|1,0,0]=3 566 B11R0.43 C=CC(C)NC(=O)[C@@H](O)CCC WXVL_AK00769SB3627 [0,2,0,0,0,0|1,0,0]=3 567 B11R0.43 CCCC(C)C(=O)NC(C)C#N WXVL_AK00810SB0352 [0,2,0,0,0,0|2,0,0]=4 568 B11R0.43 CCCC(C)C(=O)NC(C)C#N WXVL_AK00810SB0352 [0,2,0,0,0,0|2,0,0]=4 569 B11R0.43 CCCC(C)C(=O)N[C@@H](C)CC WXVL_AK00678SB0352 [0,2,0,0,0,0|1,0,0]=3 570 B11R0.43 CCCC(C)C(=O)N[C@@H](C)CC WXVL_AK00678SB0352 [0,2,0,0,0,0|1,0,0]=3 571 B11R0.43 CCCC(C)C(=O)N[C@@H](C)CF WXVL_AK00558SB0352 [0,2,0,0,0,0|2,0,0]=4 572 B11R0.43 CCCC(C)C(=O)N[C@@H](C)CF WXVL_AK00558SB0352 [0,2,0,0,0,0|2,0,0]=4 573 B11R0.43 CCCC(C)C(=O)N[C@@H](C)CO WXVL_AK0109SB0352 [0,2,0,0,0,0|2,0,0]=4 574 B11R0.43 CCCC(C)C(=O)N[C@@H](C)CO WXVL_AK0109SB0352 [0,2,0,0,0,0|2,0,0]=4 575 B11R0.43 CCC[C@H](O)C(=O)NC(C)C#N WXVL_AK00810SB3627 [0,2,0,0,0,0|1,0,0]=3 576 B11R0.43 CCC[C@H](O)C(=O)NC(C)C#N WXVL_AK00810SB3627 [0,2,0,0,0,0|1,0,0]=3 577 B11R0.43 CCC[C@H](O)C(=O)N[C@@H](C)CC WXVL_AK00678SB3627 [0,2,0,0,0,0|0,0,0]=2 578 B11R0.43 CCC[C@H](O)C(=O)N[C@@H](C)CC WXVL_AK00678SB3627 [0,2,0,0,0,0|0,0,0]=2 579 B11R0.43 CCC[C@H](O)C(=O)N[C@@H](C)CF WXVL_AK00558SB3627 [0,2,0,0,0,0|1,0,0]=3 580 B11R0.43 CCC[C@H](O)C(=O)N[C@@H](C)CF WXVL_AK00558SB3627 [0,2,0,0,0,0|1,0,0]=3 581 B11R0.43 CCC[C@H](O)C(=O)N[C@@H](C)CO WXVL_AK0109SB3627 [0,2,0,0,0,0|1,0,0]=3 582 B11R0.43 CCC[C@H](O)C(=O)N[C@@H](C)CO WXVL_AK0109SB3627 [0,2,0,0,0,0|1,0,0]=3 583 B11R0.59 C=C(C)CNC(=O)C(C)CCC WXVL_AK0761SB0352 [0,2,0,0,0,0|1,0,1]=4 584 B11R0.59 C=C(C)CNC(=O)C(C)CCC WXVL_AK0761SB0352 [0,2,0,0,0,0|1,0,1]=4 585 B11R0.59 C=C(C)CNC(=O)[C@@H](O)CCC WXVL_AK0761SB3627 [0,2,0,0,0,0|0,0,1]=3 586 B11R0.59 C=C(C)CNC(=O)[C@@H](O)CCC WXVL_AK0761SB3627 [0,2,0,0,0,0|0,0,1]=3 587 B11R0.59 CCCC(=O)N(C)CCN(C)C WXVL_AN0052SB0073 [0,2,0,0,0,0|2,0,0]=4 588 B11R0.59 CCCC(=O)N(C)CCN(C)C WXVL_AN0052SB0073 [0,2,0,0,0,0|2,0,0]=4 589 B11R0.59 CCCC(C)C(=O)NCC(C)C WXVL_AK00544SB0352 [0,2,0,0,0,0|1,0,0]=3 590 B11R0.59 CCCC(C)C(=O)NCC(C)C WXVL_AK00544SB0352 [0,2,0,0,0,0|1,0,0]=3 591 B11R0.59 CCCC(C)C(=O)NCC(C)O WXVL_AK0052SB0352 [0,2,0,0,0,0|1,0,0]=3 592 B11R0.59 CCCC(C)C(=O)NCC(C)O WXVL_AK0052SB0352 [0,2,0,0,0,0|1,0,0]=3 593 B11R0.59 CCCC(C)C(=O)NCC(F)F WXVL_AK0136SB0352 [0,2,0,0,0,0|2,0,0]=4 594 B11R0.59 CCCC(C)C(=O)NCC(F)F WXVL_AK0136SB0352 [0,2,0,0,0,0|2,0,0]=4 595 B11R0.59 CCCC(C)C(=O)NC[C@H](C)O WXVL_AK0113SB0352 [0,2,0,0,0,0|1,0,0]=3 596 B11R0.59 CCCC(C)C(=O)NC[C@H](C)O WXVL_AK0113SB0352 [0,2,0,0,0,0|1,0,0]=3 597 B11R0.59 CCC[C@H](O)C(=O)NCC(=O)N WXVL_AK0147SB3627 [0,2,0,0,0,0|1,0,1]=4 598 B11R0.59 CCC[C@H](O)C(=O)NCC(=O)N WXVL_AK0147SB3627 [0,2,0,0,0,0|1,0,1]=4 599 B11R0.59 CCC[C@H](O)C(=O)NCC(C)C WXVL_AK00544SB3627 [0,2,0,0,0,0|0,0,0]=2 600 B11R0.59 CCC[C@H](O)C(=O)NCC(C)C WXVL_AK00544SB3627 [0,2,0,0,0,0|0,0,0]=2 601 B11R0.59 CCC[C@H](O)C(=O)NCC(C)O WXVL_AK0052SB3627 [0,2,0,0,0,0|0,0,0]=2 602 B11R0.59 CCC[C@H](O)C(=O)NCC(C)O WXVL_AK0052SB3627 [0,2,0,0,0,0|0,0,0]=2 603 B11R0.59 CCC[C@H](O)C(=O)NCC(F)F WXVL_AK0136SB3627 [0,2,0,0,0,0|1,0,0]=3 604 B11R0.59 CCC[C@H](O)C(=O)NCC(F)F WXVL_AK0136SB3627 [0,2,0,0,0,0|1,0,0]=3 605 B11R0.59 CCC[C@H](O)C(=O)NC[C@H](C)O WXVL_AK0113SB3627 [0,2,0,0,0,0|0,0,0]=2 606 B11R0.59 CCC[C@H](O)C(=O)NC[C@H](C)O WXVL_AK0113SB3627 [0,2,0,0,0,0|0,0,0]=2 607 B11R0.68 C=CCNC(=O)C(O)CC(C)C WXVL_AK00561SB4281 [0,2,0,0,0,0|0,0,2]=4 608 B11R0.68 C=CCNC(=O)C(O)CC(C)C WXVL_AK00561SB4281 [0,2,0,0,0,0|0,0,2]=4 609 B11R0.68 CC(C)CC(O)C(=O)NCC#N WXVL_AK0683SB4281 [0,2,0,0,0,0|1,0,1]=4 610 B11R0.68 CC(C)CC(O)C(=O)NCC#N WXVL_AK0683SB4281 [0,2,0,0,0,0|1,0,1]=4 611 B11R0.68 CC(C)CC(O)C(=O)NCCF WXVL_AK00466SB4281 [0,2,0,0,0,0|1,0,0]=3 612 B11R0.68 CC(C)CC(O)C(=O)NCCF WXVL_AK00466SB4281 [0,2,0,0,0,0|1,0,0]=3 613 B11R0.68 CCCCC(O)C(=O)NC(C)C WXVL_AK0030SB3429 [0,2,0,0,0,0|1,0,0]=3 614 B11R0.68 CCCCC(O)C(=O)NC(C)C WXVL_AK0030SB3429 [0,2,0,0,0,0|1,0,0]=3 615 B11R0.68 CCCNC(=O)C(O)CC(C)C WXVL_AK00504SB4281 [0,2,0,0,0,0|0,0,0]=2 616 B11R0.68 CCCNC(=O)C(O)CC(C)C WXVL_AK00504SB4281 [0,2,0,0,0,0|0,0,0]=2 617 B11R0.68 COCCN(C)C(=O)CC(C)C WXVL_AN0085SB0063 [0,2,0,0,0,0|2,0,0]=4 618 B11R0.68 COCCN(C)C(=O)CC(C)C WXVL_AN0085SB0063 [0,2,0,0,0,0|2,0,0]=4 619 B11R0.68 COCCN(C)C(=O)CC(C)O WXVL_AN0085SB3643 [0,2,0,0,0,0|2,0,0]=4 620 B11R0.68 COCCN(C)C(=O)CC(C)O WXVL_AN0085SB3643 [0,2,0,0,0,0|2,0,0]=4 621 B11R0.73 CCC(C)C(=O)N(C)CCOC WXVL_AN0085SB0054 [0,2,0,0,0,0|2,0,0]=4 622 B11R0.73 CCC(C)C(=O)N(C)CCOC WXVL_AN0085SB0054 [0,2,0,0,0,0|2,0,0]=4 623 B11R0.73 CC[C@@H](C)C(=O)N(C)CCOC WXVL_AN0085SB00054 [0,2,0,0,0,0|2,0,0]=4 624 B11R0.73 CC[C@@H](C)C(=O)N(C)CCOC WXVL_AN0085SB00054 [0,2,0,0,0,0|2,0,0]=4 625 B11R0.73 CC[C@H](O)C(=O)N(C)CCOC WXVL_AN0085SB3573 [0,2,0,0,0,0|2,0,0]=4 626 B11R0.73 CC[C@H](O)C(=O)N(C)CCOC WXVL_AN0085SB3573 [0,2,0,0,0,0|2,0,0]=4 627 B11R0.155 C#CCCNC(=O)C(C)CCC WXVL_AK3109SB0352 [0,2,0,0,0,0|1,0,1]=4 628 B11R0.155 C#CCCNC(=O)C(C)CCC WXVL_AK3109SB0352 [0,2,0,0,0,0|1,0,1]=4 629 B11R0.155 C#CCCNC(=O)[C@@H](O)CCC WXVL_AK3109SB3627 [0,2,0,0,0,0|0,0,1]=3 630 B11R0.155 C#CCCNC(=O)[C@@H](O)CCC WXVL_AK3109SB3627 [0,2,0,0,0,0|0,0,1]=3 631 B11R0.155 C=CCCNC(=O)C(C)CCC WXVL_AK00138SB0352 [0,2,0,0,0,0|1,0,1]=4 632 B11R0.155 C=CCCNC(=O)C(C)CCC WXVL_AK00138SB0352 [0,2,0,0,0,0|1,0,1]=4 633 B11R0.155 C=CCCNC(=O)[C@@H](O)CCC WXVL_AK00138SB3627 [0,2,0,0,0,0|0,0,1]=3 634 B11R0.155 C=CCCNC(=O)[C@@H](O)CCC WXVL_AK00138SB3627 [0,2,0,0,0,0|0,0,1]=3 635 B11R0.155 CCCC(C)C(=O)NCCC#N WXVL_AK0087SB0352 [0,2,0,0,0,0|1,0,1]=4 636 B11R0.155 CCCC(C)C(=O)NCCC#N WXVL_AK0087SB0352 [0,2,0,0,0,0|1,0,1]=4 637 B11R0.155 CCCC(C)C(=O)NCCCO WXVL_AK0073SB0352 [0,2,0,0,0,0|1,0,0]=3 638 B11R0.155 CCCC(C)C(=O)NCCCO WXVL_AK0073SB0352 [0,2,0,0,0,0|1,0,0]=3 639 B11R0.155 CCCC(C)C(=O)NCCSC WXVL_AK00440SB0352 [0,2,0,0,0,0|1,0,0]=3 640 B11R0.155 CCCC(C)C(=O)NCCSC WXVL_AK00440SB0352 [0,2,0,0,0,0|1,0,0]=3 641 B11R0.155 CCCCCC(C)C(=O)NCC WXVL_AK00476SB0394 [0,2,0,0,0,0|2,0,0]=4 642 B11R0.155 CCCCCC(C)C(=O)NCC WXVL_AK00476SB0394 [0,2,0,0,0,0|2,0,0]=4 643 B11R0.155 CCCCNC(=O)C(C)CCC WXVL_AK00588SB0352 [0,2,0,0,0,0|1,0,0]=3 644 B11R0.155 CCCCNC(=O)C(C)CCC WXVL_AK00588SB0352 [0,2,0,0,0,0|1,0,0]=3 645 B11R0.155 CCCCNC(=O)[C@@H](O)CCC WXVL_AK00588SB3627 [0,2,0,0,0,0|0,0,0]=2 646 B11R0.155 CCCCNC(=O)[C@@H](O)CCC WXVL_AK00588SB3627 [0,2,0,0,0,0|0,0,0]=2 647 B11R0.155 CCC[C@H](O)C(=O)NCCC#N WXVL_AK0087SB3627 [0,2,0,0,0,0|0,0,1]=3 648 B11R0.155 CCC[C@H](O)C(=O)NCCC#N WXVL_AK0087SB3627 [0,2,0,0,0,0|0,0,1]=3 649 B11R0.155 CCC[C@H](O)C(=O)NCCCO WXVL_AK0073SB3627 [0,2,0,0,0,0|0,0,0]=2 650 B11R0.155 CCC[C@H](O)C(=O)NCCCO WXVL_AK0073SB3627 [0,2,0,0,0,0|0,0,0]=2 651 B11R0.155 CCC[C@H](O)C(=O)NCCSC WXVL_AK00440SB3627 [0,2,0,0,0,0|0,0,0]=2 652 B11R0.155 CCC[C@H](O)C(=O)NCCSC WXVL_AK00440SB3627 [0,2,0,0,0,0|0,0,0]=2 653 B11R0.58 CCCC(C)C(=O)N(C)C(C)C WXVL_AN0073SB0352 [0,2,0,0,0,0|2,0,0]=4 654 B11R0.58 CCCC(C)C(=O)N(C)C(C)C WXVL_AN0073SB0352 [0,2,0,0,0,0|2,0,0]=4 655 B11R0.58 CCC[C@H](O)C(=O)N(C)C(C)C WXVL_AN0073SB3627 [0,2,0,0,0,0|1,0,0]=3 656 B11R0.58 CCC[C@H](O)C(=O)N(C)C(C)C WXVL_AN0073SB3627 [0,2,0,0,0,0|1,0,0]=3 657 B11R0.99 CCCC(C)(C)C(=O)NC(C)C WXVL_AK0030SB0372 [0,2,0,0,0,0|2,0,0]=4 658 B11R0.99 CCCC(C)(C)C(=O)NC(C)C WXVL_AK0030SB0372 [0,2,0,0,0,0|2,0,0]=4 659 B11R0.149 CC(C)CC(O)C(=O)NC(C)C WXVL_AK0030SB4281 [0,2,0,0,0,0|1,0,0]=3 660 B11R0.149 CC(C)CC(O)C(=O)NC(C)C WXVL_AK0030SB4281 [0,2,0,0,0,0|1,0,0]=3 661 B11R0.186 CCCC(C)C(=O)NC(C)(C)C WXVL_AK0024SB0352 [0,2,0,0,0,0|2,0,0]=4 662 B11R0.186 CCCC(C)C(=O)NC(C)(C)C WXVL_AK0024SB0352 [0,2,0,0,0,0|2,0,0]=4 663 B11R0.186 CCC[C@H](O)C(=O)NC(C)(C)C WXVL_AK0024SB3627 [0,2,0,0,0,0|1,0,0]=3 664 B11R0.186 CCC[C@H](O)C(=O)NC(C)(C)C WXVL_AK0024SB3627 [0,2,0,0,0,0|1,0,0]=3 665 B11R0.57 CCCC(=O)N(CCC)C(C)C WXVL_AN7248SB0073 [0,2,0,0,0,0|2,0,0]=4 666 B11R0.61 CCCC(=O)N(CCC)CCC WXVL_AN00632SB0073 [0,2,0,0,0,0|2,0,0]=4 667 B11R0.61 CCCC(=O)N(CCO)CCO WXVL_AN00660SB0073 [0,2,0,0,0,0|2,0,0]=4 668 B11R0.61 CCCC(CCC)C(=O)NCC WXVL_AK00476SB0056 [0,2,0,0,0,0|2,0,0]=4 669 B11R0.61 CCCC(CCC)C(=O)NCC WXVL_AK00476SB0056 [0,2,0,0,0,0|2,0,0]=4 670 B11R0.179 CCCC(C)C(=O)N(CC)CC WXVL_AN0042SB0352 [0,2,0,0,0,0|2,0,0]=4 671 B11R0.179 CCCC(C)C(=O)N(CC)CC WXVL_AN0042SB0352 [0,2,0,0,0,0|2,0,0]=4 672 B11R0.179 CCC[C@H](O)C(=O)N(CC)CC WXVL_AN0042SB3627 [0,2,0,0,0,0|1,0,0]=3 673 B11R0.179 CCC[C@H](O)C(=O)N(CC)CC WXVL_AN0042SB3627 [0,2,0,0,0,0|1,0,0]=3 674 B9R1.73 CCNC(=O)C1CCC1 WXVL_AK00476SB0042 [1,0,0,1,0,0|1,0,0]=3 675 B9R1.73 CCNC(=O)C1CCC1 WXVL_AK00476SB0042 [1,0,0,1,0,0|1,0,0]=3 676 B9R1.75 CCCC(=O)NC1CC1 WXVL_AK0001SB0073 [1,0,0,1,0,0|1,0,0]=3 677 B9R1.75 CCCC(=O)NC1CC1 WXVL_AK0001SB0073 [1,0,0,1,0,0|1,0,0]=3 678 B9R1.75 CCNC(=O)CC1CC1 WXVL_AK00476SB0155 [1,0,0,1,0,0|1,0,0]=3 679 B9R1.75 CCNC(=O)CC1CC1 WXVL_AK00476SB0155 [1,0,0,1,0,0|1,0,0]=3 680 B9R1.75 COCC(=O)NC1CC1 WXVL_AK0001SB0090 [1,0,0,1,0,0|2,0,0]=4 681 B9R1.75 COCC(=O)NC1CC1 WXVL_AK0001SB0090 [1,0,0,1,0,0|2,0,0]=4 682 B9R1.75 CSCC(=O)NC1CC1 WXVL_AK0001SB1267 [1,0,0,1,0,0|2,0,0]=4 683 B9R1.75 CSCC(=O)NC1CC1 WXVL_AK0001SB1267 [1,0,0,1,0,0|2,0,0]=4 684 B9R1.100 CCCNC(=O)C1CC1 WXVL_AK00504SB0038 [1,0,0,1,0,0|1,0,0]=3 685 B9R1.100 CCCNC(=O)C1CC1 WXVL_AK00504SB0038 [1,0,0,1,0,0|1,0,0]=3 686 B9R1.100 O=C(NCCF)C1CC1 WXVL_AK00466SB0038 [1,0,0,1,0,0|2,0,0]=4 687 B9R1.100 O=C(NCCF)C1CC1 WXVL_AK00466SB0038 [1,0,0,1,0,0|2,0,0]=4 688 B9R1.183 CCNC(=O)C1CC1C WXVL_AK00476SB0041 [1,0,0,1,0,0|1,0,0]=3 689 B9R1.183 CCNC(=O)C1CC1C WXVL_AK00476SB0041 [1,0,0,1,0,0|1,0,0]=3 690 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK00476SB1245 [1,0,0,1,0,0|2,0,0]=4 691 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK00476SB1245 [1,0,0,1,0,0|2,0,0]=4 692 B9R1.183 CCNC(=O)[C@H]1C[C@H]1F WXVL_AK00476SB00019 [1,0,0,1,0,0|2,0,0]=4 693 B9R1.183 CCNC(=O)[C@H]1C[C@H]1F WXVL_AK00476SB00019 [1,0,0,1,0,0|2,0,0]=4 694 B9R1.11 CCC(=O)N1CCCC1 WXVL_AN0008SB0064 [1,0,0,1,0,0|2,0,0]=4 695 B9R1.11 CCC(=O)N1CCCC1 WXVL_AN0008SB0064 [1,0,0,1,0,0|2,0,0]=4 696 B9R1.11 CNC(=O)C1CCCC1 WXVL_AK00442SB0043 [1,0,0,1,0,0|2,0,0]=4 697 B9R1.11 CNC(=O)C1CCCC1 WXVL_AK00442SB0043 [1,0,0,1,0,0|2,0,0]=4 698 B9R1.11 CNC(=O)C1CCCO1 WXVL_AK00442SB1033 [1,0,0,1,0,0|1,0,0]=3 699 B9R1.11 CNC(=O)C1CCCO1 WXVL_AK00442SB1033 [1,0,0,1,0,0|1,0,0]=3 700 B9R1.11 CNC(=O)C1CCCS1 WXVL_AK00442SB0022 [1,0,0,1,0,0|1,1,0]=4 701 B9R1.11 CNC(=O)C1CCCS1 WXVL_AK00442SB0022 [1,0,0,1,0,0|1,1,0]=4 702 B9R1.11 CNC(=O)[C@H]1CCCO1 WXVL_AK00442SB00043 [1,0,0,1,0,0|1,0,0]=3 703 B9R1.11 CNC(=O)[C@H]1CCCO1 WXVL_AK00442SB00043 [1,0,0,1,0,0|1,0,0]=3 704 B9R1.74 CCNC(=O)C1(CC1)Br WXVL_AK00476SB5517 [1,0,0,1,0,0|2,0,0]=4 705 B9R1.74 CCNC(=O)C1(CC1)Br WXVL_AK00476SB5517 [1,0,0,1,0,0|2,0,0]=4 706 B9R1.74 CCNC(=O)C1(CC1)C WXVL_AK00476SB0040 [1,0,0,1,0,0|2,0,0]=4 707 B9R1.74 CCNC(=O)C1(CC1)C WXVL_AK00476SB0040 [1,0,0,1,0,0|2,0,0]=4 708 B9R1.74 CCNC(=O)C1(CC1)F WXVL_AK00476SB0218 [1,0,0,1,0,0|2,0,0]=4 709 B9R1.74 CCNC(=O)C1(CC1)F WXVL_AK00476SB0218 [1,0,0,1,0,0|2,0,0]=4 710 B9R1.74 CCNC(=O)C1(CC1)O WXVL_AK00476SB2965 [1,0,0,1,0,0|1,0,0]=3 711 B9R1.74 CCNC(=O)C1(CC1)O WXVL_AK00476SB2965 [1,0,0,1,0,0|1,0,0]=3 712 B9R1.82 CCC(=O)N1CC(C1)C WXVL_AN0291SB0064 [1,0,0,1,0,0|2,0,0]=4 713 B9R1.82 CCC(=O)N1CC(C1)C WXVL_AN0291SB0064 [1,0,0,1,0,0|2,0,0]=4 714 B9R1.101 CCC(=O)N(C)C1CC1 WXVL_AN0276SB0064 [1,0,0,1,0,0|2,0,0]=4 715 B9R1.101 CCC(=O)N(C)C1CC1 WXVL_AN0276SB0064 [1,0,0,1,0,0|2,0,0]=4 716 B9R1.186 CNC(=O)C1(CCC1)Br WXVL_AK00442SB0465 [1,0,0,1,0,0|2,0,0]=4 717 B9R1.186 CNC(=O)C1(CCC1)Br WXVL_AK00442SB0465 [1,0,0,1,0,0|2,0,0]=4 718 B9R1.186 CNC(=O)C1(CCC1)C WXVL_AK00442SB0805 [1,0,0,1,0,0|2,0,0]=4 719 B9R1.186 CNC(=O)C1(CCC1)C WXVL_AK00442SB0805 [1,0,0,1,0,0|2,0,0]=4 720 B9R1.186 CNC(=O)C1(CCC1)F WXVL_AK00442SB0033 [1,0,0,1,0,0|2,0,0]=4 721 B9R1.186 CNC(=O)C1(CCC1)F WXVL_AK00442SB0033 [1,0,0,1,0,0|2,0,0]=4 722 B11R1.30 CCNC(=O)CC1CCCC1 WXVL_AK00476SB0044 [0,0,0,1,0,1|2,0,0]=4 723 B11R1.30 CCNC(=O)CC1CCCC1 WXVL_AK00476SB0044 [0,0,0,1,0,1|2,0,0]=4 724 B11R1.199 CCCC(=O)N1CCC[C@H]1C WXVL_AN00593SB0073 [0,0,0,1,0,1|1,0,0]=3 725 B11R1.199 CCNC(=O)C1CCCC1C WXVL_AK00476SB0904 [0,0,0,1,0,1|2,0,0]=4 726 B11R1.199 CCNC(=O)C1CCCC1C WXVL_AK00476SB0904 [0,0,0,1,0,1|2,0,0]=4 727 B11R1.199 COCC(=O)N1CCC[C@H]1C WXVL_AN00593SB0090 [0,0,0,1,0,1|2,0,0]=4 728 B11R1.199 CSCC(=O)N1CCC[C@H]1C WXVL_AN00593SB1267 [0,0,0,1,0,1|2,0,0]=4 729 B11R1.201 CCCC(=O)NC1CC(C1)C WXVL_AK0309SB0073 [0,0,0,1,0,1|1,0,0]=3 730 B11R1.201 CCCC(=O)NC1CC(C1)C WXVL_AK0309SB0073 [0,0,0,1,0,1|1,0,0]=3 731 B11R1.201 CCCC(=O)NC1CC(C1)F WXVL_AK0307SB0073 [0,0,0,1,0,1|2,0,0]=4 732 B11R1.201 CCCC(=O)NC1CC(C1)F WXVL_AK0307SB0073 [0,0,0,1,0,1|2,0,0]=4 733 B11R1.201 CCCC(=O)NC1CC(C1)O WXVL_AK0306SB0073 [0,0,0,1,0,1|2,0,0]=4 734 B11R1.201 CCCC(=O)NC1CC(C1)O WXVL_AK0306SB0073 [0,0,0,1,0,1|2,0,0]=4 735 B11R1.201 CCCC(=O)NC1CN(C1)C WXVL_AK1377SB0073 [0,0,0,1,0,1|2,0,0]=4 736 B11R1.201 CCCC(=O)NC1CN(C1)C WXVL_AK1377SB0073 [0,0,0,1,0,1|2,0,0]=4 737 B11R1.201 CCCC(=O)N[C@H]1C[C@H](C1)O WXVL_AK1397SB0073 [0,0,0,1,0,1|2,0,0]=4 738 B11R1.201 CCCC(=O)N[C@H]1C[C@H](C1)O WXVL_AK1397SB0073 [0,0,0,1,0,1|2,0,0]=4 739 B11R1.201 COCC(=O)NC1CC(C1)C WXVL_AK0309SB0090 [0,0,0,1,0,1|2,0,0]=4 740 B11R1.201 COCC(=O)NC1CC(C1)C WXVL_AK0309SB0090 [0,0,0,1,0,1|2,0,0]=4 741 B11R1.201 CSCC(=O)NC1CC(C1)C WXVL_AK0309SB1267 [0,0,0,1,0,1|2,0,0]=4 742 B11R1.201 CSCC(=O)NC1CC(C1)C WXVL_AK0309SB1267 [0,0,0,1,0,1|2,0,0]=4 743 B11R1.334 CC(CCO)NC(=O)C1CC1 WXVL_AK1288SB0038 [0,0,0,1,0,1|2,0,0]=4 744 B11R1.334 CC(CCO)NC(=O)C1CC1 WXVL_AK1288SB0038 [0,0,0,1,0,1|2,0,0]=4 745 B11R1.334 CCCC(=O)NC(C)C1CC1 WXVL_AK00200SB0073 [0,0,0,1,0,1|1,0,0]=3 746 B11R1.334 CCCC(=O)NC(C)C1CC1 WXVL_AK00200SB0073 [0,0,0,1,0,1|1,0,0]=3 747 B11R1.334 CCCC(=O)N[C@@H](C)C1CC1 WXVL_AK0484SB0073 [0,0,0,1,0,1|1,0,0]=3 748 B11R1.334 CCCC(=O)N[C@@H](C)C1CC1 WXVL_AK0484SB0073 [0,0,0,1,0,1|1,0,0]=3 749 B11R1.334 CCC[C@H](C)NC(=O)C1CC1 WXVL_AK00682SB0038 [0,0,0,1,0,1|1,0,0]=3 750 B11R1.334 CCC[C@H](C)NC(=O)C1CC1 WXVL_AK00682SB0038 [0,0,0,1,0,1|1,0,0]=3 751 B11R1.334 COCC(=O)NC(C)C1CC1 WXVL_AK00200SB0090 [0,0,0,1,0,1|2,0,0]=4 752 B11R1.334 COCC(=O)NC(C)C1CC1 WXVL_AK00200SB0090 [0,0,0,1,0,1|2,0,0]=4 753 B11R1.334 COCC(=O)N[C@@H](C)C1CC1 WXVL_AK0484SB0090 [0,0,0,1,0,1|2,0,0]=4 754 B11R1.334 COCC(=O)N[C@@H](C)C1CC1 WXVL_AK0484SB0090 [0,0,0,1,0,1|2,0,0]=4 755 B11R1.334 COC[C@@H](C)NC(=O)C1CC1 WXVL_AK00613SB0038 [0,0,0,1,0,1|2,0,0]=4 756 B11R1.334 COC[C@@H](C)NC(=O)C1CC1 WXVL_AK00613SB0038 [0,0,0,1,0,1|2,0,0]=4 757 B11R1.334 COC[C@H](C)NC(=O)C1CC1 WXVL_AK0137SB0038 [0,0,0,1,0,1|2,0,0]=4 758 B11R1.334 COC[C@H](C)NC(=O)C1CC1 WXVL_AK0137SB0038 [0,0,0,1,0,1|2,0,0]=4 759 B11R1.334 CSCC(=O)NC(C)C1CC1 WXVL_AK00200SB1267 [0,0,0,1,0,1|2,0,0]=4 760 B11R1.334 CSCC(=O)NC(C)C1CC1 WXVL_AK00200SB1267 [0,0,0,1,0,1|2,0,0]=4 761 B11R1.334 CSCC(=O)N[C@@H](C)C1CC1 WXVL_AK0484SB1267 [0,0,0,1,0,1|2,0,0]=4 762 B11R1.334 CSCC(=O)N[C@@H](C)C1CC1 WXVL_AK0484SB1267 [0,0,0,1,0,1|2,0,0]=4 763 B11R1.840 CCNC(=O)CC1(CCC1)O WXVL_AK00476SB0026 [0,0,0,1,0,1|1,0,0]=3 764 B11R1.840 CCNC(=O)CC1(CCC1)O WXVL_AK00476SB0026 [0,0,0,1,0,1|1,0,0]=3 765 B11R1.15 CCCC(=O)N1CCC(C1)Br WXVL_AN00715SB0073 [0,1,0,1,0,0|2,0,0]=4 766 B11R1.15 CCCC(=O)N1CCC(C1)C WXVL_AN0556SB0073 [0,1,0,1,0,0|2,0,0]=4 767 B11R1.15 CCCC(=O)N1CCC(C1)C WXVL_AN0556SB0073 [0,1,0,1,0,0|2,0,0]=4 768 B11R1.15 CCCC(=O)N1CCC(C1)F WXVL_AN00338SB0073 [0,1,0,1,0,0|2,0,0]=4 769 B11R1.15 CCCC(=O)N1CCC(C1)F WXVL_AN00338SB0073 [0,1,0,1,0,0|2,0,0]=4 770 B11R1.15 CCCC(=O)N1CCC(C1)O WXVL_AN0158SB0073 [0,1,0,1,0,0|2,0,0]=4 771 B11R1.15 CCCC(=O)N1CCC(C1)O WXVL_AN0158SB0073 [0,1,0,1,0,0|2,0,0]=4 772 B11R1.15 CCCC(=O)N1CC[C@@H](C1)C WXVL_AN00094SB0073 [0,1,0,1,0,0|2,0,0]=4 773 B11R1.15 CCCC(=O)N1CC[C@@H](C1)C WXVL_AN00094SB0073 [0,1,0,1,0,0|2,0,0]=4 774 B11R1.15 CCCC(=O)N1CC[C@@H](C1)O WXVL_AN00391SB0073 [0,1,0,1,0,0|2,0,0]=4 775 B11R1.15 CCCC(=O)N1CC[C@@H](C1)O WXVL_AN00391SB0073 [0,1,0,1,0,0|2,0,0]=4 776 B11R1.15 CCCC(=O)N1CC[C@H](C1)C WXVL_AN00488SB0073 [0,1,0,1,0,0|2,0,0]=4 777 B11R1.15 CCCC(=O)N1CC[C@H](C1)C WXVL_AN00488SB0073 [0,1,0,1,0,0|2,0,0]=4 778 B11R1.15 CCCC(=O)N1CC[C@H](C1)F WXVL_AN00035SB0073 [0,1,0,1,0,0|2,0,0]=4 779 B11R1.15 CCCC(=O)N1CC[C@H](C1)F WXVL_AN00035SB0073 [0,1,0,1,0,0|2,0,0]=4 780 B11R1.15 CCCC(=O)N1CC[C@H](C1)O WXVL_AN00543SB0073 [0,1,0,1,0,0|2,0,0]=4 781 B11R1.15 CCNC(=O)C1CCN(C1)C WXVL_AK00476SB1540 [0,1,0,1,0,0|2,0,0]=4 782 B11R1.15 CCNC(=O)C1CCN(C1)C WXVL_AK00476SB1540 [0,1,0,1,0,0|2,0,0]=4 783 B11R1.15 CCNC(=O)[C@@H]1C[C@@H](CN1)O WXVL_AK00476SB00007 [0,1,0,1,0,0|2,0,0]=4 784 B11R1.15 CCNC(=O)[C@@H]1C[C@@H](CN1)O WXVL_AK00476SB00007 [0,1,0,1,0,0|2,0,0]=4 785 B11R1.15 CCNC(=O)[C@H]1CC[C@H](O1)C WXVL_AK00476SB0853 [0,1,0,1,0,0|1,0,0]=3 786 B11R1.15 CCNC(=O)[C@H]1CC[C@H](O1)C WXVL_AK00476SB0853 [0,1,0,1,0,0|1,0,0]=3 787 B11R1.16 CCCC(=O)N1CCOCC1 WXVL_AN00478SB0073 [0,1,0,1,0,0|2,0,0]=4 788 B11R1.16 CCCC(=O)N1CCOCC1 WXVL_AN00478SB0073 [0,1,0,1,0,0|2,0,0]=4 789 B11R1.16 CCCC(=O)N1CCSCC1 WXVL_AN0896SB0073 [0,1,0,1,0,0|2,0,0]=4 790 B11R1.16 CCNC(=O)C1=CCCCO1 WXVL_AK00476SB4858 [0,1,0,1,0,0|1,0,1]=4 791 B11R1.16 CCNC(=O)C1=CCCCO1 WXVL_AK00476SB4858 [0,1,0,1,0,0|1,0,1]=4 792 B11R1.16 CCNC(=O)C1=COCCC1 WXVL_AK00476SB2928 [0,1,0,1,0,0|1,0,1]=4 793 B11R1.16 CCNC(=O)C1=COCCC1 WXVL_AK00476SB2928 [0,1,0,1,0,0|1,0,1]=4 794 B11R1.16 CCNC(=O)C1CCCCC1 WXVL_AK00476SB0047 [0,1,0,1,0,0|2,0,0]=4 795 B11R1.16 CCNC(=O)C1CCCCC1 WXVL_AK00476SB0047 [0,1,0,1,0,0|2,0,0]=4 796 B11R1.16 CCNC(=O)C1CCCCO1 WXVL_AK00476SB0206 [0,1,0,1,0,0|1,0,0]=3 797 B11R1.16 CCNC(=O)C1CCCCO1 WXVL_AK00476SB0206 [0,1,0,1,0,0|1,0,0]=3 798 B11R1.16 CCNC(=O)C1CCOCC1 WXVL_AK00476SB0149 [0,1,0,1,0,0|2,0,0]=4 799 B11R1.16 CCNC(=O)C1CCOCC1 WXVL_AK00476SB0149 [0,1,0,1,0,0|2,0,0]=4 800 B11R1.16 CCNC(=O)C1CCSCC1 WXVL_AK00476SB0752 [0,1,0,1,0,0|2,0,0]=4 801 B11R1.16 CCNC(=O)C1CCSCC1 WXVL_AK00476SB0752 [0,1,0,1,0,0|2,0,0]=4 802 B11R1.16 CCNC(=O)[C@H]1CCCCO1 WXVL_AK00476SB00044 [0,1,0,1,0,0|1,0,0]=3 803 B11R1.16 CCNC(=O)[C@H]1CCCCO1 WXVL_AK00476SB00044 [0,1,0,1,0,0|1,0,0]=3 804 B11R1.29 C=CCNC(=O)C1CCCO1 WXVL_AK00561SB1033 [0,1,0,1,0,0|0,0,2]=4 805 B11R1.29 C=CCNC(=O)C1CCCO1 WXVL_AK00561SB1033 [0,1,0,1,0,0|0,0,2]=4 806 B11R1.29 C=CCNC(=O)[C@H]1CCCO1 WXVL_AK00561SB00043 [0,1,0,1,0,0|0,0,2]=4 807 B11R1.29 C=CCNC(=O)[C@H]1CCCO1 WXVL_AK00561SB00043 [0,1,0,1,0,0|0,0,2]=4 808 B11R1.29 CCCNC(=O)C1CCCC1 WXVL_AK00504SB0043 [0,1,0,1,0,0|1,0,0]=3 809 B11R1.29 CCCNC(=O)C1CCCC1 WXVL_AK00504SB0043 [0,1,0,1,0,0|1,0,0]=3 810 B11R1.29 CCCNC(=O)C1CCCO1 WXVL_AK00504SB1033 [0,1,0,1,0,0|0,0,0]=2 811 B11R1.29 CCCNC(=O)C1CCCO1 WXVL_AK00504SB1033 [0,1,0,1,0,0|0,0,0]=2 812 B11R1.29 CCCNC(=O)C1CCCS1 WXVL_AK00504SB0022 [0,1,0,1,0,0|0,1,0]=3 813 B11R1.29 CCCNC(=O)C1CCCS1 WXVL_AK00504SB0022 [0,1,0,1,0,0|0,1,0]=3 814 B11R1.29 CCCNC(=O)[C@H]1CCCO1 WXVL_AK00504SB00043 [0,1,0,1,0,0|0,0,0]=2 815 B11R1.29 CCCNC(=O)[C@H]1CCCO1 WXVL_AK00504SB00043 [0,1,0,1,0,0|0,0,0]=2 816 B11R1.29 CCOCC(=O)N1CCCC1 WXVL_AN0008SB0091 [0,1,0,1,0,0|2,0,0]=4 817 B11R1.29 CCOCC(=O)N1CCCC1 WXVL_AN0008SB0091 [0,1,0,1,0,0|2,0,0]=4 818 B11R1.29 CCSCC(=O)N1CCCC1 WXVL_AN0008SB0002 [0,1,0,1,0,0|2,0,0]=4 819 B11R1.29 CCSCC(=O)N1CCCC1 WXVL_AN0008SB0002 [0,1,0,1,0,0|2,0,0]=4 820 B11R1.29 COCCC(=O)N1CCCC1 WXVL_AN0008SB0156 [0,1,0,1,0,0|2,0,0]=4 821 B11R1.29 COCCC(=O)N1CCCC1 WXVL_AN0008SB0156 [0,1,0,1,0,0|2,0,0]=4 822 B11R1.29 CSCCC(=O)N1CCCC1 WXVL_AN0008SB0361 [0,1,0,1,0,0|2,0,0]=4 823 B11R1.29 CSCCC(=O)N1CCCC1 WXVL_AN0008SB0361 [0,1,0,1,0,0|2,0,0]=4 824 B11R1.29 N#CCNC(=O)C1CCCO1 WXVL_AK0683SB1033 [0,1,0,1,0,0|1,0,1]=4 825 B11R1.29 N#CCNC(=O)C1CCCO1 WXVL_AK0683SB1033 [0,1,0,1,0,0|1,0,1]=4 826 B11R1.29 N#CCNC(=O)[C@H]1CCCO1 WXVL_AK0683SB00043 [0,1,0,1,0,0|1,0,1]=4 827 B11R1.29 N#CCNC(=O)[C@H]1CCCO1 WXVL_AK0683SB00043 [0,1,0,1,0,0|1,0,1]=4 828 B11R1.29 O=C(NCCF)C1CCCC1 WXVL_AK00466SB0043 [0,1,0,1,0,0|2,0,0]=4 829 B11R1.29 O=C(NCCF)C1CCCC1 WXVL_AK00466SB0043 [0,1,0,1,0,0|2,0,0]=4 830 B11R1.29 O=C(NCCF)C1CCCO1 WXVL_AK00466SB1033 [0,1,0,1,0,0|1,0,0]=3 831 B11R1.29 O=C(NCCF)C1CCCO1 WXVL_AK00466SB1033 [0,1,0,1,0,0|1,0,0]=3 832 B11R1.29 O=C(NCCF)C1CCCS1 WXVL_AK00466SB0022 [0,1,0,1,0,0|1,1,0]=4 833 B11R1.29 O=C(NCCF)C1CCCS1 WXVL_AK00466SB0022 [0,1,0,1,0,0|1,1,0]=4 834 B11R1.29 O=C(NCCF)[C@H]1CCCO1 WXVL_AK00466SB00043 [0,1,0,1,0,0|1,0,0]=3 835 B11R1.29 O=C(NCCF)[C@H]1CCCO1 WXVL_AK00466SB00043 [0,1,0,1,0,0|1,0,0]=3 836 B11R1.287 CCCNC(=O)C1CN(C1)C WXVL_AK00504SB0021 [0,1,0,1,0,0|2,0,0]=4 837 B11R1.287 CCCNC(=O)C1CN(C1)C WXVL_AK00504SB0021 [0,1,0,1,0,0|2,0,0]=4 838 B11R1.287 CCCNC(=O)[C@H]1C[C@@H](C1)O WXVL_AK00504SB3648 [0,1,0,1,0,0|2,0,0]=4 839 B11R1.287 CCCNC(=O)[C@H]1C[C@@H](C1)O WXVL_AK00504SB3648 [0,1,0,1,0,0|2,0,0]=4 840 B11R1.287 CCCNC(=O)[C@H]1C[C@H](C1)O WXVL_AK00504SB0837 [0,1,0,1,0,0|2,0,0]=4 841 B11R1.287 CCCNC(=O)[C@H]1C[C@H](C1)O WXVL_AK00504SB0837 [0,1,0,1,0,0|2,0,0]=4 842 B11R1.287 CCOCC(=O)N1CC(C1)C WXVL_AN0291SB0091 [0,1,0,1,0,0|2,0,0]=4 843 B11R1.287 CCOCC(=O)N1CC(C1)C WXVL_AN0291SB0091 [0,1,0,1,0,0|2,0,0]=4 844 B11R1.287 CCSCC(=O)N1CC(C1)C WXVL_AN0291SB0002 [0,1,0,1,0,0|2,0,0]=4 845 B11R1.287 CCSCC(=O)N1CC(C1)C WXVL_AN0291SB0002 [0,1,0,1,0,0|2,0,0]=4 846 B11R1.287 COCCC(=O)N1CC(C1)C WXVL_AN0291SB0156 [0,1,0,1,0,0|2,0,0]=4 847 B11R1.287 COCCC(=O)N1CC(C1)C WXVL_AN0291SB0156 [0,1,0,1,0,0|2,0,0]=4 848 B11R1.287 CSCCC(=O)N1CC(C1)C WXVL_AN0291SB0361 [0,1,0,1,0,0|2,0,0]=4 849 B11R1.287 CSCCC(=O)N1CC(C1)C WXVL_AN0291SB0361 [0,1,0,1,0,0|2,0,0]=4 850 B11R1.351 CCCC(C)C(=O)NC1CC1 WXVL_AK0001SB0352 [0,1,0,1,0,0|1,0,0]=3 851 B11R1.351 CCCC(C)C(=O)NC1CC1 WXVL_AK0001SB0352 [0,1,0,1,0,0|1,0,0]=3 852 B11R1.351 CCC[C@H](O)C(=O)NC1CC1 WXVL_AK0001SB3627 [0,1,0,1,0,0|0,0,0]=2 853 B11R1.351 CCC[C@H](O)C(=O)NC1CC1 WXVL_AK0001SB3627 [0,1,0,1,0,0|0,0,0]=2 854 B11R1.526 CCCNC(=O)C(=O)C1CC1 WXVL_AK00504SB3659 [0,1,0,1,0,0|0,0,2]=4 855 B11R1.526 CCCNC(=O)C(=O)C1CC1 WXVL_AK00504SB3659 [0,1,0,1,0,0|0,0,2]=4 856 B11R1.526 CCOCC(=O)N(C)C1CC1 WXVL_AN0276SB0091 [0,1,0,1,0,0|2,0,0]=4 857 B11R1.526 CCOCC(=O)N(C)C1CC1 WXVL_AN0276SB0091 [0,1,0,1,0,0|2,0,0]=4 858 B11R1.526 CCSCC(=O)N(C)C1CC1 WXVL_AN0276SB0002 [0,1,0,1,0,0|2,0,0]=4 859 B11R1.526 CCSCC(=O)N(C)C1CC1 WXVL_AN0276SB0002 [0,1,0,1,0,0|2,0,0]=4 860 B11R1.526 COCCC(=O)N(C)C1CC1 WXVL_AN0276SB0156 [0,1,0,1,0,0|2,0,0]=4 861 B11R1.526 COCCC(=O)N(C)C1CC1 WXVL_AN0276SB0156 [0,1,0,1,0,0|2,0,0]=4 862 B11R1.526 COCCN(C)C(=O)C1CC1 WXVL_AN0085SB0038 [0,1,0,1,0,0|2,0,0]=4 863 B11R1.526 COCCN(C)C(=O)C1CC1 WXVL_AN0085SB0038 [0,1,0,1,0,0|2,0,0]=4 864 B11R1.526 CSCCC(=O)N(C)C1CC1 WXVL_AN0276SB0361 [0,1,0,1,0,0|2,0,0]=4 865 B11R1.526 CSCCC(=O)N(C)C1CC1 WXVL_AN0276SB0361 [0,1,0,1,0,0|2,0,0]=4 866 B11R1.819 CCNC(=O)C1(CCCC1)C WXVL_AK00476SB0209 [0,1,0,1,0,0|2,0,0]=4 867 B11R1.819 CCNC(=O)C1(CCCC1)C WXVL_AK00476SB0209 [0,1,0,1,0,0|2,0,0]=4 868 B11R1.819 CCNC(=O)[C@]1(CCCN1)C WXVL_AK00476SB00033 [0,1,0,1,0,0|2,0,0]=4 869 B11R1.819 CCNC(=O)[C@]1(CCCN1)C WXVL_AK00476SB00033 [0,1,0,1,0,0|2,0,0]=4 870 B11R1.996 CC1(CCC1)C(=O)NCCF WXVL_AK00466SB0805 [0,1,0,1,0,0|2,0,0]=4 871 B11R1.996 CC1(CCC1)C(=O)NCCF WXVL_AK00466SB0805 [0,1,0,1,0,0|2,0,0]=4 872 B11R1.996 CCCNC(=O)C1(CCC1)Br WXVL_AK00504SB0465 [0,1,0,1,0,0|1,0,0]=3 873 B11R1.996 CCCNC(=O)C1(CCC1)Br WXVL_AK00504SB0465 [0,1,0,1,0,0|1,0,0]=3 874 B11R1.996 CCCNC(=O)C1(CCC1)C WXVL_AK00504SB0805 [0,1,0,1,0,0|1,0,0]=3 875 B11R1.996 CCCNC(=O)C1(CCC1)C WXVL_AK00504SB0805 [0,1,0,1,0,0|1,0,0]=3 876 B11R1.996 CCCNC(=O)C1(CCC1)F WXVL_AK00504SB0033 [0,1,0,1,0,0|1,0,0]=3 877 B11R1.996 CCCNC(=O)C1(CCC1)F WXVL_AK00504SB0033 [0,1,0,1,0,0|1,0,0]=3 878 B11R1.996 CCCNC(=O)C1(COC1)C WXVL_AK00504SB0214 [0,1,0,1,0,0|2,0,0]=4 879 B11R1.996 CCCNC(=O)C1(COC1)C WXVL_AK00504SB0214 [0,1,0,1,0,0|2,0,0]=4 880 B11R1.996 O=C(NCCF)C1(CCC1)Br WXVL_AK00466SB0465 [0,1,0,1,0,0|2,0,0]=4 881 B11R1.996 O=C(NCCF)C1(CCC1)Br WXVL_AK00466SB0465 [0,1,0,1,0,0|2,0,0]=4 882 B11R1.996 O=C(NCCF)C1(CCC1)F WXVL_AK00466SB0033 [0,1,0,1,0,0|2,0,0]=4 883 B11R1.996 O=C(NCCF)C1(CCC1)F WXVL_AK00466SB0033 [0,1,0,1,0,0|2,0,0]=4 884 B11R1.77 CC(C)CC(=O)N1CCCC1 WXVL_AN0008SB0063 [0,1,0,1,0,0|2,0,0]=4 885 B11R1.77 CC(C)CC(=O)N1CCCC1 WXVL_AN0008SB0063 [0,1,0,1,0,0|2,0,0]=4 886 B11R1.77 CC(C)NC(=O)C1CCCC1 WXVL_AK0030SB0043 [0,1,0,1,0,0|2,0,0]=4 887 B11R1.77 CC(C)NC(=O)C1CCCC1 WXVL_AK0030SB0043 [0,1,0,1,0,0|2,0,0]=4 888 B11R1.77 CC(C)NC(=O)C1CCCO1 WXVL_AK0030SB1033 [0,1,0,1,0,0|1,0,0]=3 889 B11R1.77 CC(C)NC(=O)C1CCCO1 WXVL_AK0030SB1033 [0,1,0,1,0,0|1,0,0]=3 890 B11R1.77 CC(C)NC(=O)C1CCCS1 WXVL_AK0030SB0022 [0,1,0,1,0,0|1,1,0]=4 891 B11R1.77 CC(C)NC(=O)C1CCCS1 WXVL_AK0030SB0022 [0,1,0,1,0,0|1,1,0]=4 892 B11R1.77 CC(C)NC(=O)[C@H]1CCCO1 WXVL_AK0030SB00043 [0,1,0,1,0,0|1,0,0]=3 893 B11R1.77 CC(C)NC(=O)[C@H]1CCCO1 WXVL_AK0030SB00043 [0,1,0,1,0,0|1,0,0]=3 894 B11R1.77 CC(O)CC(=O)N1CCCC1 WXVL_AN0008SB3643 [0,1,0,1,0,0|2,0,0]=4 895 B11R1.77 CC(O)CC(=O)N1CCCC1 WXVL_AN0008SB3643 [0,1,0,1,0,0|2,0,0]=4 896 B11R1.152 CC(C)CC(=O)N1CC(C1)C WXVL_AN0291SB0063 [0,1,0,1,0,0|2,0,0]=4 897 B11R1.152 CC(C)CC(=O)N1CC(C1)C WXVL_AN0291SB0063 [0,1,0,1,0,0|2,0,0]=4 898 B11R1.152 CC(O)CC(=O)N1CC(C1)C WXVL_AN0291SB3643 [0,1,0,1,0,0|2,0,0]=4 899 B11R1.152 CC(O)CC(=O)N1CC(C1)C WXVL_AN0291SB3643 [0,1,0,1,0,0|2,0,0]=4 900 B11R1.719 CC(C)CC(=O)N(C)C1CC1 WXVL_AN0276SB0063 [0,1,0,1,0,0|2,0,0]=4 901 B11R1.719 CC(C)CC(=O)N(C)C1CC1 WXVL_AN0276SB0063 [0,1,0,1,0,0|2,0,0]=4 902 B11R1.719 CC(O)CC(=O)N(C)C1CC1 WXVL_AN0276SB3643 [0,1,0,1,0,0|2,0,0]=4 903 B11R1.719 CC(O)CC(=O)N(C)C1CC1 WXVL_AN0276SB3643 [0,1,0,1,0,0|2,0,0]=4 904 B11R1.821 CCCC(=O)N1CC(C1)(C)O WXVL_AN0497SB0073 [0,1,0,1,0,0|2,0,0]=4 905 B11R1.821 CCCC(=O)N1CC(C1)(C)O WXVL_AN0497SB0073 [0,1,0,1,0,0|2,0,0]=4 906 B11R1.821 CCNC(=O)C1CC(C1)(C)C WXVL_AK00476SB2977 [0,1,0,1,0,0|2,0,0]=4 907 B11R1.821 CCNC(=O)C1CC(C1)(C)C WXVL_AK00476SB2977 [0,1,0,1,0,0|2,0,0]=4 908 B11R1.1264 CC(C)NC(=O)C1(CCC1)Br WXVL_AK0030SB0465 [0,1,0,1,0,0|2,0,0]=4 909 B11R1.1264 CC(C)NC(=O)C1(CCC1)Br WXVL_AK0030SB0465 [0,1,0,1,0,0|2,0,0]=4 910 B11R1.1264 CC(C)NC(=O)C1(CCC1)C WXVL_AK0030SB0805 [0,1,0,1,0,0|2,0,0]=4 911 B11R1.1264 CC(C)NC(=O)C1(CCC1)C WXVL_AK0030SB0805 [0,1,0,1,0,0|2,0,0]=4 912 B11R1.1264 CC(C)NC(=O)C1(CCC1)F WXVL_AK0030SB0033 [0,1,0,1,0,0|2,0,0]=4 913 B11R1.1264 CC(C)NC(=O)C1(CCC1)F WXVL_AK0030SB0033 [0,1,0,1,0,0|2,0,0]=4 914 B11R1.823 CCCC(=O)N(CC)C1CC1 WXVL_AN0137SB0073 [0,1,0,1,0,0|2,0,0]=4 915 B11R1.823 CCCC(=O)N(CC)C1CC1 WXVL_AN0137SB0073 [0,1,0,1,0,0|2,0,0]=4 916 B11R1.831 CCNC(=O)C1(CCC1)C#N WXVL_AK00476SB2113 [0,1,0,1,0,0|2,0,0]=4 917 B11R1.831 CCNC(=O)C1(CCC1)C#N WXVL_AK00476SB2113 [0,1,0,1,0,0|2,0,0]=4 918 B11R1.831 CCNC(=O)C1(CCC1)CC WXVL_AK00476SB0903 [0,1,0,1,0,0|2,0,0]=4 919 B11R1.831 CCNC(=O)C1(CCC1)CC WXVL_AK00476SB0903 [0,1,0,1,0,0|2,0,0]=4 920 B11R1.31 CCC(C)C(=O)N1CCCC1 WXVL_AN0008SB0054 [0,1,0,1,0,0|2,0,0]=4 921 B11R1.31 CCC(C)C(=O)N1CCCC1 WXVL_AN0008SB0054 [0,1,0,1,0,0|2,0,0]=4 922 B11R1.31 CC[C@@H](C)C(=O)N1CCCC1 WXVL_AN0008SB00054 [0,1,0,1,0,0|2,0,0]=4 923 B11R1.31 CC[C@@H](C)C(=O)N1CCCC1 WXVL_AN0008SB00054 [0,1,0,1,0,0|2,0,0]=4 924 B11R1.31 CC[C@H](O)C(=O)N1CCCC1 WXVL_AN0008SB3573 [0,1,0,1,0,0|2,0,0]=4 925 B11R1.31 CC[C@H](O)C(=O)N1CCCC1 WXVL_AN0008SB3573 [0,1,0,1,0,0|2,0,0]=4 926 B11R1.296 CCC(C)C(=O)N1CC(C1)C WXVL_AN0291SB0054 [0,1,0,1,0,0|2,0,0]=4 927 B11R1.296 CCC(C)C(=O)N1CC(C1)C WXVL_AN0291SB0054 [0,1,0,1,0,0|2,0,0]=4 928 B11R1.296 CC[C@@H](C)C(=O)N1CC(C1)C WXVL_AN0291SB00054 [0,1,0,1,0,0|2,0,0]=4 929 B11R1.296 CC[C@@H](C)C(=O)N1CC(C1)C WXVL_AN0291SB00054 [0,1,0,1,0,0|2,0,0]=4 930 B11R1.296 CC[C@H](O)C(=O)N1CC(C1)C WXVL_AN0291SB3573 [0,1,0,1,0,0|2,0,0]=4 931 B11R1.296 CC[C@H](O)C(=O)N1CC(C1)C WXVL_AN0291SB3573 [0,1,0,1,0,0|2,0,0]=4 932 B11R1.385 CCC(C)C(=O)N(C)C1CC1 WXVL_AN0276SB0054 [0,1,0,1,0,0|2,0,0]=4 933 B11R1.385 CCC(C)C(=O)N(C)C1CC1 WXVL_AN0276SB0054 [0,1,0,1,0,0|2,0,0]=4 934 B11R1.385 CC[C@@H](C)C(=O)N(C)C1CC1 WXVL_AN0276SB00054 [0,1,0,1,0,0|2,0,0]=4 935 B11R1.385 CC[C@@H](C)C(=O)N(C)C1CC1 WXVL_AN0276SB00054 [0,1,0,1,0,0|2,0,0]=4 936 B11R1.385 CC[C@H](O)C(=O)N(C)C1CC1 WXVL_AN0276SB3573 [0,1,0,1,0,0|2,0,0]=4 937 B11R1.385 CC[C@H](O)C(=O)N(C)C1CC1 WXVL_AN0276SB3573 [0,1,0,1,0,0|2,0,0]=4 938 B11R2.1031 O=C(C1CC1)N2CCCC2 WXVL_AN0008SB0038 [0,0,0,2,0,0|2,0,0]=4 939 B11R2.1031 O=C(C1CC1)N2CCCC2 WXVL_AN0008SB0038 [0,0,0,2,0,0|2,0,0]=4 940 B11R2.548 CC1CN(C1)C(=O)C2CC2 WXVL_AN0291SB0038 [0,0,0,2,0,0|2,0,0]=4 941 B11R2.548 CC1CN(C1)C(=O)C2CC2 WXVL_AN0291SB0038 [0,0,0,2,0,0|2,0,0]=4 942 B11R2.881 CCNC(=O)C12CC(C1)C2 WXVL_AK00476SB0028 [0,0,0,2,0,0|2,0,0]=4 943 B11R2.881 CCNC(=O)C12CC(C1)C2 WXVL_AK00476SB0028 [0,0,0,2,0,0|2,0,0]=4 944 B11R2.1032 CN(C(=O)C1CC1)C2CC2 WXVL_AN0276SB0038 [0,0,0,2,0,0|2,0,0]=4 945 B11R2.1032 CN(C(=O)C1CC1)C2CC2 WXVL_AN0276SB0038 [0,0,0,2,0,0|2,0,0]=4