0 B9R0.2 CC(=O)NCCCCCO WXVL_AK0077SB0150 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.2 CC(=O)NCCCCCO WXVL_AK0077SB0150 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.2 CC(=O)NCCNCCO WXVL_AK0954SB0150 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.2 CC(=O)NCCNCCO WXVL_AK0954SB0150 [0,0,0,0,0,0|3,0,1]=4 4 B9R0.2 CCCCCCCC(=O)N WXVL_AK0084SB0393 [0,0,0,0,0,0|2,0,2]=4 5 B9R0.2 CCCCCCCC(=O)N WXVL_AK0084SB0393 [0,0,0,0,0,0|2,0,2]=4 6 B9R0.2 CCCCCCNC(=O)C WXVL_AK0286SB0150 [0,0,0,0,0,0|1,0,2]=3 7 B9R0.2 CCCCCCNC(=O)C WXVL_AK0286SB0150 [0,0,0,0,0,0|1,0,2]=3 8 B9R0.2 CCOCCCNC(=O)C WXVL_AK0072SB0150 [0,0,0,0,0,0|2,0,1]=3 9 B9R0.2 CCOCCCNC(=O)C WXVL_AK0072SB0150 [0,0,0,0,0,0|2,0,1]=3 10 B8R0.7 CC(=O)NCCCCO WXVL_AK0075SB0150 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.7 CC(=O)NCCCCO WXVL_AK0075SB0150 [1,0,0,0,0,0|2,0,1]=4 12 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [1,0,0,0,0,0|1,0,1]=3 13 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [1,0,0,0,0,0|1,0,1]=3 14 B8R0.7 CCSCCNC(=O)C WXVL_AK00494SB0150 [1,0,0,0,0,0|2,0,0]=3 15 B8R0.7 CCSCCNC(=O)C WXVL_AK00494SB0150 [1,0,0,0,0,0|2,0,0]=3 16 B8R0.7 COCCCNC(=O)C WXVL_AK00637SB0150 [1,0,0,0,0,0|2,0,1]=4 17 B8R0.7 COCCCNC(=O)C WXVL_AK00637SB0150 [1,0,0,0,0,0|2,0,1]=4 18 B8R0.7 CSCCCNC(=O)C WXVL_AK0965SB0150 [1,0,0,0,0,0|2,0,1]=4 19 B8R0.7 CSCCCNC(=O)C WXVL_AK0965SB0150 [1,0,0,0,0,0|2,0,1]=4 20 B10R0.3 CCNC(=O)CCC=C(C)C WXVL_AK00476SB00030 [0,1,0,0,0,0|3,0,0]=4 21 B10R0.3 CCNC(=O)CCC=C(C)C WXVL_AK00476SB00030 [0,1,0,0,0,0|3,0,0]=4 22 B10R0.3 CCNC(=O)CCNC(=O)C WXVL_AK00476SB0374 [0,1,0,0,0,0|2,0,0]=3 23 B10R0.3 CCNC(=O)CCNC(=O)C WXVL_AK00476SB0374 [0,1,0,0,0,0|2,0,0]=3 24 B10R0.3 CCOC(=O)CCNC(=O)C WXVL_AK0465SB0150 [0,1,0,0,0,0|2,0,0]=3 25 B10R0.3 CCOC(=O)CCNC(=O)C WXVL_AK0465SB0150 [0,1,0,0,0,0|2,0,0]=3 26 B10R0.4 CC(=O)NCCCCCCO WXVL_AK0751SB0150 [0,1,0,0,0,0|1,0,2]=4 27 B10R0.4 CC(=O)NCCCCCCO WXVL_AK0751SB0150 [0,1,0,0,0,0|1,0,2]=4 28 B10R0.4 CCCCOCCNC(=O)C WXVL_AK9674SB0150 [0,1,0,0,0,0|1,0,2]=4 29 B10R0.4 CCCCOCCNC(=O)C WXVL_AK9674SB0150 [0,1,0,0,0,0|1,0,2]=4 30 B10R0.4 COCCOCCNC(=O)C WXVL_AK2206SB0150 [0,1,0,0,0,0|2,0,1]=4 31 B10R0.4 COCCOCCNC(=O)C WXVL_AK2206SB0150 [0,1,0,0,0,0|2,0,1]=4 32 B10R0.55 CC(=O)NCCNC(=O)CO WXVL_AK0057SB2706 [0,1,0,0,0,0|3,0,0]=4 33 B10R0.55 CC(=O)NCCNC(=O)CO WXVL_AK0057SB2706 [0,1,0,0,0,0|3,0,0]=4 34 B10R0.55 CCC(=O)NCCNC(=O)C WXVL_AK0057SB0064 [0,1,0,0,0,0|2,0,0]=3 35 B10R0.55 CCC(=O)NCCNC(=O)C WXVL_AK0057SB0064 [0,1,0,0,0,0|2,0,0]=3 36 B10R0.55 CCC(=O)NCCOC(C)C WXVL_AK0128SB0064 [0,1,0,0,0,0|2,0,1]=4 37 B10R0.55 CCC(=O)NCCOC(C)C WXVL_AK0128SB0064 [0,1,0,0,0,0|2,0,1]=4 38 B10R0.55 COC(=O)CCCNC(=O)C WXVL_AK00444SB0150 [0,1,0,0,0,0|2,0,1]=4 39 B10R0.55 COC(=O)CCCNC(=O)C WXVL_AK00444SB0150 [0,1,0,0,0,0|2,0,1]=4 40 B10R0.74 CCCCCCCC(=O)NC WXVL_AK00442SB0393 [0,1,0,0,0,0|1,0,2]=4 41 B10R0.74 CCCCCCCC(=O)NC WXVL_AK00442SB0393 [0,1,0,0,0,0|1,0,2]=4 42 B10R0.74 CCCCCCNC(=O)CC WXVL_AK0286SB0064 [0,1,0,0,0,0|1,0,2]=4 43 B10R0.74 CCCCCCNC(=O)CC WXVL_AK0286SB0064 [0,1,0,0,0,0|1,0,2]=4 44 B10R0.74 CCCCCCNC(=O)CO WXVL_AK0286SB2706 [0,1,0,0,0,0|1,0,2]=4 45 B10R0.74 CCCCCCNC(=O)CO WXVL_AK0286SB2706 [0,1,0,0,0,0|1,0,2]=4 46 B10R0.74 CCOCCCNC(=O)CC WXVL_AK0072SB0064 [0,1,0,0,0,0|2,0,1]=4 47 B10R0.74 CCOCCCNC(=O)CC WXVL_AK0072SB0064 [0,1,0,0,0,0|2,0,1]=4 48 B10R0.74 CCOCCCNC(=O)CO WXVL_AK0072SB2706 [0,1,0,0,0,0|2,0,1]=4 49 B10R0.74 CCOCCCNC(=O)CO WXVL_AK0072SB2706 [0,1,0,0,0,0|2,0,1]=4 50 B10R0.78 CCCNC(=O)COC(=O)C WXVL_AK00504SB2824 [0,1,0,0,0,0|1,0,2]=4 51 B10R0.78 CCCNC(=O)COC(=O)C WXVL_AK00504SB2824 [0,1,0,0,0,0|1,0,2]=4 52 B10R1.18 CC(=O)NC1CCCCC1 WXVL_AK00480SB0150 [0,0,0,1,0,0|1,0,2]=4 53 B10R1.18 CC(=O)NC1CCCCC1 WXVL_AK00480SB0150 [0,0,0,1,0,0|1,0,2]=4 54 B10R1.18 CC(=O)NC1CCCOC1 WXVL_AK1073SB0150 [0,0,0,1,0,0|2,0,1]=4 55 B10R1.18 CC(=O)NC1CCCOC1 WXVL_AK1073SB0150 [0,0,0,1,0,0|2,0,1]=4 56 B10R1.61 CC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0150 [0,0,0,1,0,0|1,0,2]=4 57 B10R1.61 CC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0150 [0,0,0,1,0,0|2,0,1]=4 58 B10R1.61 CC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0150 [0,0,0,1,0,0|2,0,1]=4 59 B10R1.61 CC(=O)N1CCOC[C@H]1C WXVL_AN00562SB0150 [0,0,0,1,0,0|2,0,1]=4 60 B10R1.66 CC(=O)NCC1CCCC1 WXVL_AK0303SB0150 [0,0,0,1,0,0|1,0,2]=4 61 B10R1.66 CC(=O)NCC1CCCC1 WXVL_AK0303SB0150 [0,0,0,1,0,0|1,0,2]=4 62 B10R1.66 CC(=O)NCC1CCOC1 WXVL_AK00634SB0150 [0,0,0,1,0,0|2,0,1]=4 63 B10R1.66 CC(=O)NCC1CCOC1 WXVL_AK00634SB0150 [0,0,0,1,0,0|2,0,1]=4 64 B10R1.66 CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0150 [0,0,0,1,0,0|2,0,1]=4 65 B10R1.66 CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0150 [0,0,0,1,0,0|2,0,1]=4 66 B10R1.66 CC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0150 [0,0,0,1,0,0|2,0,1]=4 67 B10R1.66 CC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0150 [0,0,0,1,0,0|2,0,1]=4 68 B10R1.127 CC(=O)NCCC1CCC1 WXVL_AK2418SB0150 [0,0,0,1,0,0|1,0,2]=4 69 B10R1.127 CC(=O)NCCC1CCC1 WXVL_AK2418SB0150 [0,0,0,1,0,0|1,0,2]=4 70 B10R1.348 CC(=O)N1CCCOCC1 WXVL_AN00350SB0150 [0,0,0,1,0,0|2,0,1]=4 71 B10R1.348 CC(=O)N1CCCOCC1 WXVL_AN00350SB0150 [0,0,0,1,0,0|2,0,1]=4 72 B7R0.4 C=CCCCC(=O)N WXVL_AK0084SB2920 [2,0,0,0,0,0|2,0,0]=4 73 B7R0.4 C=CCCCC(=O)N WXVL_AK0084SB2920 [2,0,0,0,0,0|2,0,0]=4 74 B7R0.4 C=CCCNC(=O)C WXVL_AK00138SB0150 [2,0,0,0,0,0|1,0,0]=3 75 B7R0.4 C=CCCNC(=O)C WXVL_AK00138SB0150 [2,0,0,0,0,0|1,0,0]=3 76 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [2,0,0,0,0,0|2,0,0]=4 77 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [2,0,0,0,0,0|2,0,0]=4 78 B7R0.4 CC/C=C/CC(=O)N WXVL_AK0084SB0349 [2,0,0,0,0,0|1,0,0]=3 79 B7R0.4 CC/C=C/CC(=O)N WXVL_AK0084SB0349 [2,0,0,0,0,0|1,0,0]=3 80 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [2,0,0,0,0,0|1,0,0]=3 81 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [2,0,0,0,0,0|1,0,0]=3 82 B7R0.4 CSCCNC(=O)C WXVL_AK00440SB0150 [2,0,0,0,0,0|2,0,0]=4 83 B7R0.4 CSCCNC(=O)C WXVL_AK00440SB0150 [2,0,0,0,0,0|2,0,0]=4 84 B9R0.1 CCC(=O)NCCC(=O)N WXVL_AK00443SB0064 [1,1,0,0,0,0|2,0,0]=4 85 B9R0.1 CCC(=O)NCCC(=O)N WXVL_AK00443SB0064 [1,1,0,0,0,0|2,0,0]=4 86 B9R0.1 CNC(=O)CCNC(=O)C WXVL_AK00442SB0374 [1,1,0,0,0,0|2,0,0]=4 87 B9R0.1 CNC(=O)CCNC(=O)C WXVL_AK00442SB0374 [1,1,0,0,0,0|2,0,0]=4 88 B9R0.48 CCNC(=O)CCC(=O)C WXVL_AK00476SB0072 [1,1,0,0,0,0|1,0,0]=3 89 B9R0.48 CCNC(=O)CCC(=O)C WXVL_AK00476SB0072 [1,1,0,0,0,0|1,0,0]=3 90 B9R0.48 CCNC(=O)CCC(=O)N WXVL_AK00476SB0358 [1,1,0,0,0,0|2,0,0]=4 91 B9R0.48 CCNC(=O)CCC(=O)N WXVL_AK00476SB0358 [1,1,0,0,0,0|2,0,0]=4 92 B9R0.48 CCNC(=O)CNC(=O)C WXVL_AK00476SB0357 [1,1,0,0,0,0|2,0,0]=4 93 B9R0.48 CCNC(=O)CNC(=O)C WXVL_AK00476SB0357 [1,1,0,0,0,0|2,0,0]=4 94 B9R0.48 CCNC(=O)COC(=O)C WXVL_AK00476SB2824 [1,1,0,0,0,0|1,0,0]=3 95 B9R0.48 CCNC(=O)COC(=O)C WXVL_AK00476SB2824 [1,1,0,0,0,0|1,0,0]=3 96 B9R0.48 CCNC(=O)CSC(=O)C WXVL_AK00476SB3992 [1,1,0,0,0,0|1,1,0]=4 97 B9R0.48 CCNC(=O)CSC(=O)C WXVL_AK00476SB3992 [1,1,0,0,0,0|1,1,0]=4 98 B9R0.55 CC(=O)NCCNC(=O)C WXVL_AK0057SB0150 [1,1,0,0,0,0|2,0,0]=4 99 B9R0.55 CC(=O)NCCNC(=O)C WXVL_AK0057SB0150 [1,1,0,0,0,0|2,0,0]=4 100 B9R0.55 CC(=O)NCCOC(C)C WXVL_AK0128SB0150 [1,1,0,0,0,0|2,0,0]=4 101 B9R0.55 CC(=O)NCCOC(C)C WXVL_AK0128SB0150 [1,1,0,0,0,0|2,0,0]=4 102 B11R0.6 CC(=O)NCCC(=O)NC(C)C WXVL_AK0030SB0374 [0,2,0,0,0,0|2,0,0]=4 103 B11R0.6 CC(=O)NCCC(=O)NC(C)C WXVL_AK0030SB0374 [0,2,0,0,0,0|2,0,0]=4 104 B11R0.141 CCNC(=O)CCN(C)C(=O)C WXVL_AK00476SB1414 [0,2,0,0,0,0|2,0,0]=4 105 B11R0.141 CCNC(=O)CCN(C)C(=O)C WXVL_AK00476SB1414 [0,2,0,0,0,0|2,0,0]=4 106 B11R0.147 CC(=O)NCCC(=O)NCCF WXVL_AK00466SB0374 [0,2,0,0,0,0|2,0,0]=4 107 B11R0.147 CC(=O)NCCC(=O)NCCF WXVL_AK00466SB0374 [0,2,0,0,0,0|2,0,0]=4 108 B11R0.147 CCCNC(=O)CCNC(=O)C WXVL_AK00504SB0374 [0,2,0,0,0,0|1,0,1]=4 109 B11R0.147 CCCNC(=O)CCNC(=O)C WXVL_AK00504SB0374 [0,2,0,0,0,0|1,0,1]=4 110 B11R0.174 CCOC(=O)CCNC(=O)CC WXVL_AK0465SB0064 [0,2,0,0,0,0|2,0,0]=4 111 B11R0.174 CCOC(=O)CCNC(=O)CC WXVL_AK0465SB0064 [0,2,0,0,0,0|2,0,0]=4 112 B11R0.174 CCOC(=O)CCNC(=O)CO WXVL_AK0465SB2706 [0,2,0,0,0,0|2,0,0]=4 113 B11R0.174 CCOC(=O)CCNC(=O)CO WXVL_AK0465SB2706 [0,2,0,0,0,0|2,0,0]=4 114 B11R0.176 C/C=C/C(=O)NCCNC(=O)C WXVL_AK0057SB0340 [0,2,0,0,0,0|1,0,1]=4 115 B11R0.176 C/C=C/C(=O)NCCNC(=O)C WXVL_AK0057SB0340 [0,2,0,0,0,0|1,0,1]=4 116 B11R0.176 CCCC(=O)NCCNC(=O)C WXVL_AK0057SB0073 [0,2,0,0,0,0|1,0,1]=4 117 B11R0.176 CCCC(=O)NCCNC(=O)C WXVL_AK0057SB0073 [0,2,0,0,0,0|1,0,1]=4 118 B11R0.176 COCC(=O)NCCNC(=O)C WXVL_AK0057SB0090 [0,2,0,0,0,0|2,0,0]=4 119 B11R0.176 COCC(=O)NCCNC(=O)C WXVL_AK0057SB0090 [0,2,0,0,0,0|2,0,0]=4 120 B11R0.176 CSCC(=O)NCCNC(=O)C WXVL_AK0057SB1267 [0,2,0,0,0,0|2,0,0]=4 121 B11R0.176 CSCC(=O)NCCNC(=O)C WXVL_AK0057SB1267 [0,2,0,0,0,0|2,0,0]=4 122 B11R0.29 CC(=O)NCCNC(=O)C(C)C WXVL_AK0057SB0052 [0,2,0,0,0,0|2,0,0]=4 123 B11R0.29 CC(=O)NCCNC(=O)C(C)C WXVL_AK0057SB0052 [0,2,0,0,0,0|2,0,0]=4 124 B11R0.29 CC(=O)NCCNC(=O)C(C)S WXVL_AK0057SB2708 [0,2,0,0,0,0|2,0,0]=4 125 B11R0.29 CC(=O)NCCNC(=O)C(C)S WXVL_AK0057SB2708 [0,2,0,0,0,0|2,0,0]=4 126 B11R0.29 CC(=O)NCCNC(=O)[C@@H](C)O WXVL_AK0057SB1085 [0,2,0,0,0,0|2,0,0]=4 127 B11R0.29 CC(=O)NCCNC(=O)[C@@H](C)O WXVL_AK0057SB1085 [0,2,0,0,0,0|2,0,0]=4 128 B11R0.106 CCC(=O)NCCCC(=O)OC WXVL_AK00444SB0064 [0,2,0,0,0,0|2,0,0]=4 129 B11R0.106 CCC(=O)NCCCC(=O)OC WXVL_AK00444SB0064 [0,2,0,0,0,0|2,0,0]=4 130 B9R1.6 CC(=O)N1CCOCC1 WXVL_AN00478SB0150 [1,0,0,1,0,0|2,0,0]=4 131 B9R1.6 CC(=O)N1CCOCC1 WXVL_AN00478SB0150 [1,0,0,1,0,0|2,0,0]=4 132 B9R1.6 CC(=O)N1CCSCC1 WXVL_AN0896SB0150 [1,0,0,1,0,0|2,0,0]=4 133 B9R1.6 NC(=O)C1CC=CCC1 WXVL_AK0084SB3640 [1,0,0,1,0,0|1,0,0]=3 134 B9R1.6 NC(=O)C1CC=CCC1 WXVL_AK0084SB3640 [1,0,0,1,0,0|1,0,0]=3 135 B9R1.41 CC(=O)N1CCC[C@H]1C WXVL_AN00593SB0150 [1,0,0,1,0,0|1,0,1]=4 136 B9R1.84 CC(=O)NCC1CCC1 WXVL_AK00492SB0150 [1,0,0,1,0,0|1,0,1]=4 137 B9R1.84 CC(=O)NCC1CCC1 WXVL_AK00492SB0150 [1,0,0,1,0,0|1,0,1]=4 138 B9R1.84 CC(=O)NCC1CCO1 WXVL_AK1433SB0150 [1,0,0,1,0,0|2,0,0]=4 139 B9R1.84 CC(=O)NCC1CCO1 WXVL_AK1433SB0150 [1,0,0,1,0,0|2,0,0]=4 140 B9R1.85 CC(=O)NCCC1CC1 WXVL_AK00594SB0150 [1,0,0,1,0,0|1,0,1]=4 141 B9R1.85 CC(=O)NCCC1CC1 WXVL_AK00594SB0150 [1,0,0,1,0,0|1,0,1]=4 142 B11R1.15 CCNC(=O)C1CNC(=O)C1 WXVL_AK00476SB0366 [0,1,0,1,0,0|2,0,0]=4 143 B11R1.15 CCNC(=O)C1CNC(=O)C1 WXVL_AK00476SB0366 [0,1,0,1,0,0|2,0,0]=4 144 B11R1.565 CC(=O)N1CCNC(=O)CC1 WXVL_AN00585SB0150 [0,1,0,1,0,0|2,0,0]=4 145 B11R1.23 CCC(=O)N1CCNC(=O)C1 WXVL_AN0102SB0064 [0,1,0,1,0,0|2,0,0]=4 146 B11R1.23 CCC(=O)N1CCNC(=O)C1 WXVL_AN0102SB0064 [0,1,0,1,0,0|2,0,0]=4 147 B11R1.23 CCC(=O)N1CCOC(=O)C1 WXVL_AN4960SB0064 [0,1,0,1,0,0|1,0,0]=3 148 B11R1.23 O=C1CN(CCO1)C(=O)CO WXVL_AN4960SB2706 [0,1,0,1,0,0|2,0,0]=4 149 B11R1.39 CCC(=O)NC1CNC(=O)C1 WXVL_AK3081SB0064 [0,1,0,1,0,0|2,0,0]=4 150 B11R1.39 CCC(=O)NC1CNC(=O)C1 WXVL_AK3081SB0064 [0,1,0,1,0,0|2,0,0]=4 151 B11R1.39 CCC(=O)N[C@@H]1COC(=O)C1 WXVL_AK00458SB0064 [0,1,0,1,0,0|1,0,0]=3 152 B11R1.39 CCC(=O)N[C@@H]1COC(=O)C1 WXVL_AK00458SB0064 [0,1,0,1,0,0|1,0,0]=3 153 B11R1.39 O=C(CO)N[C@@H]1COC(=O)C1 WXVL_AK00458SB2706 [0,1,0,1,0,0|2,0,0]=4 154 B11R1.39 O=C(CO)N[C@@H]1COC(=O)C1 WXVL_AK00458SB2706 [0,1,0,1,0,0|2,0,0]=4 155 B11R1.75 CC(=O)NC[C@H]1CCC(=O)N1 WXVL_AK00538SB0150 [0,1,0,1,0,0|2,0,0]=4 156 B11R1.75 CC(=O)NC[C@H]1CCC(=O)N1 WXVL_AK00538SB0150 [0,1,0,1,0,0|2,0,0]=4 157 B11R1.159 CC(=O)N1CCNC(=O)[C@@H]1C WXVL_AN5008SB0150 [0,1,0,1,0,0|2,0,0]=4 158 B11R2.845 NC(=O)C1CC2C=CC1C2 WXVL_AK0084SB2411 [0,0,0,2,0,0|2,0,0]=4 159 B11R2.845 NC(=O)C1CC2C=CC1C2 WXVL_AK0084SB2411 [0,0,0,2,0,0|2,0,0]=4