0 B11R0.62 CCNC(=O)/C=C/C(=O)OCC WXVL_AK00476SB0061 [0,0,0,0,0,0|1,0,2]=3 1 B11R0.62 CCNC(=O)/C=C/C(=O)OCC WXVL_AK00476SB0061 [0,0,0,0,0,0|1,0,2]=3 2 B11R0.62 CCNC(=O)NCC(=O)OCC WXVL_AK00476YV0151 [0,0,0,0,0,0|2,0,0]=2 3 B11R0.62 CCNC(=O)NCC(=O)OCC WXVL_AK00476YV0151 [0,0,0,0,0,0|2,0,0]=2 4 B10R0.108 CCCC(=O)NCC(=O)NC WXVL_AK1222SB0073 [1,0,0,0,0,0|3,0,0]=4 5 B10R0.108 CCCC(=O)NCC(=O)NC WXVL_AK1222SB0073 [1,0,0,0,0,0|3,0,0]=4 6 B10R0.108 CCNC(=O)CCC(=O)OC WXVL_AK00476SB0069 [1,0,0,0,0,0|1,0,0]=2 7 B10R0.108 CCNC(=O)CCC(=O)OC WXVL_AK00476SB0069 [1,0,0,0,0,0|1,0,0]=2 8 B10R0.108 CCOC(=O)/C=C/C(=O)NC WXVL_AK00442SB0061 [1,0,0,0,0,0|1,0,2]=4 9 B10R0.108 CCOC(=O)/C=C/C(=O)NC WXVL_AK00442SB0061 [1,0,0,0,0,0|1,0,2]=4 10 B10R0.108 CCOC(=O)CNC(=O)NC WXVL_AK00442YV0151 [1,0,0,0,0,0|2,0,0]=3 11 B10R0.108 CCOC(=O)CNC(=O)NC WXVL_AK00442YV0151 [1,0,0,0,0,0|2,0,0]=3 12 B12R0.69 C/C=C/C(=O)N[C@@H](C)C(=O)OCC WXVL_AK1648SB0340 [0,1,0,0,0,0|2,0,1]=4 13 B12R0.69 C/C=C/C(=O)N[C@@H](C)C(=O)OCC WXVL_AK1648SB0340 [0,1,0,0,0,0|2,0,1]=4 14 B12R0.69 CC#CC(=O)N[C@@H](C)C(=O)OCC WXVL_AK1648SB1240 [0,1,0,0,0,0|2,0,1]=4 15 B12R0.69 CC#CC(=O)N[C@@H](C)C(=O)OCC WXVL_AK1648SB1240 [0,1,0,0,0,0|2,0,1]=4 16 B12R0.69 CCCC(=O)N[C@@H](C)C(=O)OCC WXVL_AK1648SB0073 [0,1,0,0,0,0|2,0,0]=3 17 B12R0.69 CCCC(=O)N[C@@H](C)C(=O)OCC WXVL_AK1648SB0073 [0,1,0,0,0,0|2,0,0]=3 18 B12R0.69 CCOC(=O)[C@H](C)NC(=O)COC WXVL_AK1648SB0090 [0,1,0,0,0,0|3,0,0]=4 19 B12R0.69 CCOC(=O)[C@H](C)NC(=O)COC WXVL_AK1648SB0090 [0,1,0,0,0,0|3,0,0]=4 20 B12R0.69 CCOC(=O)[C@H](C)NC(=O)CSC WXVL_AK1648SB1267 [0,1,0,0,0,0|3,0,0]=4 21 B12R0.69 CCOC(=O)[C@H](C)NC(=O)CSC WXVL_AK1648SB1267 [0,1,0,0,0,0|3,0,0]=4 22 B12R0.101 C=CCNC(=O)NCC(=O)OCC WXVL_AK00561YV0151 [0,1,0,0,0,0|2,0,1]=4 23 B12R0.101 C=CCNC(=O)NCC(=O)OCC WXVL_AK00561YV0151 [0,1,0,0,0,0|2,0,1]=4 24 B12R0.101 CCCNC(=O)/C=C/C(=O)OCC WXVL_AK00504SB0061 [0,1,0,0,0,0|1,0,2]=4 25 B12R0.101 CCCNC(=O)/C=C/C(=O)OCC WXVL_AK00504SB0061 [0,1,0,0,0,0|1,0,2]=4 26 B12R0.101 CCCNC(=O)NCC(=O)OCC WXVL_AK00504YV0151 [0,1,0,0,0,0|2,0,0]=3 27 B12R0.101 CCCNC(=O)NCC(=O)OCC WXVL_AK00504YV0151 [0,1,0,0,0,0|2,0,0]=3 28 B12R0.101 CCOC(=O)/C=C/C(=O)NCCF WXVL_AK00466SB0061 [0,1,0,0,0,0|1,0,2]=4 29 B12R0.101 CCOC(=O)/C=C/C(=O)NCCF WXVL_AK00466SB0061 [0,1,0,0,0,0|1,0,2]=4 30 B12R0.101 CCOC(=O)CNC(=O)NCC#N WXVL_AK0683YV0151 [0,1,0,0,0,0|2,0,1]=4 31 B12R0.101 CCOC(=O)CNC(=O)NCC#N WXVL_AK0683YV0151 [0,1,0,0,0,0|2,0,1]=4 32 B12R0.101 CCOC(=O)CNC(=O)NCCF WXVL_AK00466YV0151 [0,1,0,0,0,0|2,0,0]=3 33 B12R0.101 CCOC(=O)CNC(=O)NCCF WXVL_AK00466YV0151 [0,1,0,0,0,0|2,0,0]=3 34 B12R0.272 CCNC(=O)CNC(=O)CC(C)C WXVL_AK00476SB2133 [0,1,0,0,0,0|3,0,0]=4 35 B12R0.272 CCNC(=O)CNC(=O)CC(C)C WXVL_AK00476SB2133 [0,1,0,0,0,0|3,0,0]=4 36 B12R0.272 CCOC(=O)/C=C/C(=O)NC(C)C WXVL_AK0030SB0061 [0,1,0,0,0,0|1,0,2]=4 37 B12R0.272 CCOC(=O)/C=C/C(=O)NC(C)C WXVL_AK0030SB0061 [0,1,0,0,0,0|1,0,2]=4 38 B12R0.272 CCOC(=O)CNC(=O)NC(C)C WXVL_AK0030YV0151 [0,1,0,0,0,0|2,0,0]=3 39 B12R0.272 CCOC(=O)CNC(=O)NC(C)C WXVL_AK0030YV0151 [0,1,0,0,0,0|2,0,0]=3 40 B12R1.17 C/C=C/C(=O)N1CCOC(=O)C1 WXVL_AN4960SB0340 [0,0,0,1,0,0|2,0,1]=4 41 B12R1.17 CC#CC(=O)N1CCOC(=O)C1 WXVL_AN4960SB1240 [0,0,0,1,0,0|2,0,1]=4 42 B12R1.17 CCCC(=O)N1CCNC(=O)C1 WXVL_AN0102SB0073 [0,0,0,1,0,0|3,0,0]=4 43 B12R1.17 CCCC(=O)N1CCNC(=O)C1 WXVL_AN0102SB0073 [0,0,0,1,0,0|3,0,0]=4 44 B12R1.17 CCCC(=O)N1CCOC(=O)C1 WXVL_AN4960SB0073 [0,0,0,1,0,0|2,0,0]=3 45 B12R1.17 CCNC(=O)C1CCNC(=O)C1 WXVL_AK00476SB2983 [0,0,0,1,0,0|2,0,0]=3 46 B12R1.17 CCNC(=O)C1CCNC(=O)C1 WXVL_AK00476SB2983 [0,0,0,1,0,0|2,0,0]=3 47 B12R1.17 COCC(=O)N1CCOC(=O)C1 WXVL_AN4960SB0090 [0,0,0,1,0,0|3,0,0]=4 48 B12R1.17 CSCC(=O)N1CCOC(=O)C1 WXVL_AN4960SB1267 [0,0,0,1,0,0|3,0,0]=4 49 B12R1.318 CCCC(=O)N[C@@H]1CCNC1=O WXVL_AK0496SB0073 [0,0,0,1,0,0|3,0,0]=4 50 B12R1.318 CCCC(=O)N[C@@H]1CCNC1=O WXVL_AK0496SB0073 [0,0,0,1,0,0|3,0,0]=4 51 B12R1.318 CCNC(=O)CN1CCCC1=O WXVL_AK00476SB0190 [0,0,0,1,0,0|3,0,0]=4 52 B12R1.318 CCNC(=O)CN1CCCC1=O WXVL_AK00476SB0190 [0,0,0,1,0,0|3,0,0]=4 53 B12R1.318 CCNC(=O)CN1CCOC1=O WXVL_AK00476SB8467 [0,0,0,1,0,0|2,0,0]=3 54 B12R1.318 CCNC(=O)CN1CCOC1=O WXVL_AK00476SB8467 [0,0,0,1,0,0|2,0,0]=3 55 B12R1.686 CCNC(=O)CNC(=O)C1CC1 WXVL_AK00476SBA651 [0,0,0,1,0,0|3,0,0]=4 56 B12R1.686 CCNC(=O)CNC(=O)C1CC1 WXVL_AK00476SBA651 [0,0,0,1,0,0|3,0,0]=4 57 B10R0.2 CCNC(=O)CC(=O)OCC WXVL_AK00476SB3094 [0,0,0,0,1,0|1,0,0]=2 58 B10R0.2 CCNC(=O)CC(=O)OCC WXVL_AK00476SB3094 [0,0,0,0,1,0|1,0,0]=2 59 B12R0.285 C#CCC(=O)NCCC(=O)OCC WXVL_AK0465SB3070 [0,0,0,0,0,1|1,0,2]=4 60 B12R0.285 C#CCC(=O)NCCC(=O)OCC WXVL_AK0465SB3070 [0,0,0,0,0,1|1,0,2]=4 61 B12R0.285 C/C=C/C(=O)NCCC(=O)OCC WXVL_AK0465SB0340 [0,0,0,0,0,1|1,0,1]=3 62 B12R0.285 C/C=C/C(=O)NCCC(=O)OCC WXVL_AK0465SB0340 [0,0,0,0,0,1|1,0,1]=3 63 B12R0.285 C=CCC(=O)NCCC(=O)OCC WXVL_AK0465SB2732 [0,0,0,0,0,1|1,0,2]=4 64 B12R0.285 C=CCC(=O)NCCC(=O)OCC WXVL_AK0465SB2732 [0,0,0,0,0,1|1,0,2]=4 65 B12R0.285 CC#CC(=O)NCCC(=O)OCC WXVL_AK0465SB1240 [0,0,0,0,0,1|1,0,1]=3 66 B12R0.285 CC#CC(=O)NCCC(=O)OCC WXVL_AK0465SB1240 [0,0,0,0,0,1|1,0,1]=3 67 B12R0.285 CCCC(=O)NCCC(=O)OCC WXVL_AK0465SB0073 [0,0,0,0,0,1|1,0,0]=2 68 B12R0.285 CCCC(=O)NCCC(=O)OCC WXVL_AK0465SB0073 [0,0,0,0,0,1|1,0,0]=2 69 B12R0.285 CCOC(=O)CCNC(=O)CC#N WXVL_AK0465SB0057 [0,0,0,0,0,1|2,0,1]=4 70 B12R0.285 CCOC(=O)CCNC(=O)CC#N WXVL_AK0465SB0057 [0,0,0,0,0,1|2,0,1]=4 71 B12R0.285 CCOC(=O)CCNC(=O)COC WXVL_AK0465SB0090 [0,0,0,0,0,1|2,0,0]=3 72 B12R0.285 CCOC(=O)CCNC(=O)COC WXVL_AK0465SB0090 [0,0,0,0,0,1|2,0,0]=3 73 B12R0.285 CCOC(=O)CCNC(=O)CSC WXVL_AK0465SB1267 [0,0,0,0,0,1|2,0,0]=3 74 B12R0.285 CCOC(=O)CCNC(=O)CSC WXVL_AK0465SB1267 [0,0,0,0,0,1|2,0,0]=3 75 B9R0.5 CC/C=C/CC(=O)NCC WXVL_AK00476SB0349 [2,0,0,0,0,0|1,0,1]=4 76 B9R0.5 CC/C=C/CC(=O)NCC WXVL_AK00476SB0349 [2,0,0,0,0,0|1,0,1]=4 77 B9R0.5 CCNC(=O)/C=C/OCC WXVL_AK00476SB3226 [2,0,0,0,0,0|1,0,1]=4 78 B9R0.5 CCNC(=O)/C=C/OCC WXVL_AK00476SB3226 [2,0,0,0,0,0|1,0,1]=4 79 B9R0.24 CCC(=O)NCC(=O)NC WXVL_AK1222SB0064 [2,0,0,0,0,0|2,0,0]=4 80 B9R0.24 CCC(=O)NCC(=O)NC WXVL_AK1222SB0064 [2,0,0,0,0,0|2,0,0]=4 81 B9R0.24 CNC(=O)CCC(=O)OC WXVL_AK00442SB0069 [2,0,0,0,0,0|1,0,0]=3 82 B9R0.24 CNC(=O)CCC(=O)OC WXVL_AK00442SB0069 [2,0,0,0,0,0|1,0,0]=3 83 B9R0.48 CCNC(=O)CCC(=O)C WXVL_AK00476SB0072 [2,0,0,0,0,0|1,0,0]=3 84 B9R0.48 CCNC(=O)CCC(=O)C WXVL_AK00476SB0072 [2,0,0,0,0,0|1,0,0]=3 85 B9R0.48 CCNC(=O)CCC(=O)N WXVL_AK00476SB0358 [2,0,0,0,0,0|2,0,0]=4 86 B9R0.48 CCNC(=O)CCC(=O)N WXVL_AK00476SB0358 [2,0,0,0,0,0|2,0,0]=4 87 B9R0.48 CCNC(=O)CNC(=O)C WXVL_AK00476SB0357 [2,0,0,0,0,0|2,0,0]=4 88 B9R0.48 CCNC(=O)CNC(=O)C WXVL_AK00476SB0357 [2,0,0,0,0,0|2,0,0]=4 89 B9R0.48 CCNC(=O)COC(=O)C WXVL_AK00476SB2824 [2,0,0,0,0,0|2,0,0]=4 90 B9R0.48 CCNC(=O)COC(=O)C WXVL_AK00476SB2824 [2,0,0,0,0,0|2,0,0]=4 91 B9R0.48 CCNC(=O)CSC(=O)C WXVL_AK00476SB3992 [2,0,0,0,0,0|2,0,0]=4 92 B9R0.48 CCNC(=O)CSC(=O)C WXVL_AK00476SB3992 [2,0,0,0,0,0|2,0,0]=4 93 B11R0.4 CCCC(=O)NCCCOCC WXVL_AK0072SB0073 [1,1,0,0,0,0|1,0,1]=4 94 B11R0.4 CCCC(=O)NCCCOCC WXVL_AK0072SB0073 [1,1,0,0,0,0|1,0,1]=4 95 B11R0.174 CCOC(=O)CCNC(=O)CC WXVL_AK0465SB0064 [1,1,0,0,0,0|2,0,0]=4 96 B11R0.174 CCOC(=O)CCNC(=O)CC WXVL_AK0465SB0064 [1,1,0,0,0,0|2,0,0]=4 97 B11R0.43 CCOC(=O)[C@H](C)NC(=O)CC WXVL_AK1648SB0064 [1,1,0,0,0,0|1,0,0]=3 98 B11R0.43 CCOC(=O)[C@H](C)NC(=O)CC WXVL_AK1648SB0064 [1,1,0,0,0,0|1,0,0]=3 99 B11R0.43 CCOC(=O)[C@H](C)NC(=O)CO WXVL_AK1648SB2706 [1,1,0,0,0,0|2,0,0]=4 100 B11R0.43 CCOC(=O)[C@H](C)NC(=O)CO WXVL_AK1648SB2706 [1,1,0,0,0,0|2,0,0]=4 101 B11R0.70 C=CCNC(=O)CCC(=O)OC WXVL_AK00561SB0069 [1,1,0,0,0,0|1,0,1]=4 102 B11R0.70 C=CCNC(=O)CCC(=O)OC WXVL_AK00561SB0069 [1,1,0,0,0,0|1,0,1]=4 103 B11R0.70 CCCNC(=O)CCC(=O)OC WXVL_AK00504SB0069 [1,1,0,0,0,0|1,0,0]=3 104 B11R0.70 CCCNC(=O)CCC(=O)OC WXVL_AK00504SB0069 [1,1,0,0,0,0|1,0,0]=3 105 B11R0.70 CCOCC(=O)NCC(=O)NC WXVL_AK1222SB0091 [1,1,0,0,0,0|2,0,0]=4 106 B11R0.70 CCOCC(=O)NCC(=O)NC WXVL_AK1222SB0091 [1,1,0,0,0,0|2,0,0]=4 107 B11R0.70 COC(=O)CCC(=O)NCC#N WXVL_AK0683SB0069 [1,1,0,0,0,0|1,0,1]=4 108 B11R0.70 COC(=O)CCC(=O)NCC#N WXVL_AK0683SB0069 [1,1,0,0,0,0|1,0,1]=4 109 B11R0.70 COC(=O)CCC(=O)NCCF WXVL_AK00466SB0069 [1,1,0,0,0,0|1,0,0]=3 110 B11R0.70 COC(=O)CCC(=O)NCCF WXVL_AK00466SB0069 [1,1,0,0,0,0|1,0,0]=3 111 B11R0.100 CCNS(=O)(=O)CCC(=O)OC WXVL_AK00476HU0340 [1,1,0,0,0,0|2,0,0]=4 112 B11R0.100 CCNS(=O)(=O)CCC(=O)OC WXVL_AK00476HU0340 [1,1,0,0,0,0|2,0,0]=4 113 B11R0.107 COC(=O)CCC(=O)NC(C)C WXVL_AK0030SB0069 [1,1,0,0,0,0|1,0,0]=3 114 B11R0.107 COC(=O)CCC(=O)NC(C)C WXVL_AK0030SB0069 [1,1,0,0,0,0|1,0,0]=3 115 B11R0.141 CCOC(=O)CNC(=O)N(C)C WXVL_AN0032YV0151 [1,1,0,0,0,0|2,0,0]=4 116 B11R0.141 CCOC(=O)CNC(=O)N(C)C WXVL_AN0032YV0151 [1,1,0,0,0,0|2,0,0]=4 117 B11R0.187 CCNC(=O)N[C@@H](C)C(=O)OC WXVL_AK00476YV0164 [1,1,0,0,0,0|2,0,0]=4 118 B11R0.187 CCNC(=O)N[C@@H](C)C(=O)OC WXVL_AK00476YV0164 [1,1,0,0,0,0|2,0,0]=4 119 B11R0.1 CCOC(=O)CC(=O)NC(C)C WXVL_AK0030SB3094 [0,1,0,0,1,0|1,0,0]=3 120 B11R0.1 CCOC(=O)CC(=O)NC(C)C WXVL_AK0030SB3094 [0,1,0,0,1,0|1,0,0]=3 121 B11R0.353 CCNS(=O)(=O)CC(=O)OCC WXVL_AK00476HU0462 [0,1,0,0,1,0|2,0,0]=4 122 B11R0.353 CCNS(=O)(=O)CC(=O)OCC WXVL_AK00476HU0462 [0,1,0,0,1,0|2,0,0]=4 123 B13R0.175 C#CCCC(=O)NCCC(=O)OCC WXVL_AK0465SB2189 [0,1,0,0,0,1|1,0,1]=4 124 B13R0.175 C#CCCC(=O)NCCC(=O)OCC WXVL_AK0465SB2189 [0,1,0,0,0,1|1,0,1]=4 125 B13R0.175 C=CCCC(=O)NCCC(=O)OCC WXVL_AK0465SB1035 [0,1,0,0,0,1|1,0,1]=4 126 B13R0.175 C=CCCC(=O)NCCC(=O)OCC WXVL_AK0465SB1035 [0,1,0,0,0,1|1,0,1]=4 127 B13R0.175 CCOC(=O)CCNC(=O)/C=C/CBr WXVL_AK0465SB0424 [0,1,0,0,0,1|1,0,1]=4 128 B13R0.175 CCOC(=O)CCNC(=O)/C=C/CBr WXVL_AK0465SB0424 [0,1,0,0,0,1|1,0,1]=4 129 B13R0.175 CCOC(=O)CCNC(=O)CCOC WXVL_AK0465SB0156 [0,1,0,0,0,1|1,0,0]=3 130 B13R0.175 CCOC(=O)CCNC(=O)CCOC WXVL_AK0465SB0156 [0,1,0,0,0,1|1,0,0]=3 131 B13R0.175 CCOC(=O)CCNC(=O)CCSC WXVL_AK0465SB0361 [0,1,0,0,0,1|1,0,0]=3 132 B13R0.175 CCOC(=O)CCNC(=O)CCSC WXVL_AK0465SB0361 [0,1,0,0,0,1|1,0,0]=3 133 B13R0.175 CCOC(=O)CCNC(=O)CSCC WXVL_AK0465SB0002 [0,1,0,0,0,1|0,1,0]=3 134 B13R0.175 CCOC(=O)CCNC(=O)CSCC WXVL_AK0465SB0002 [0,1,0,0,0,1|0,1,0]=3 135 B13R0.175 CCOC(=O)CCNC(=O)NCCCl WXVL_AK0465YV0092 [0,1,0,0,0,1|1,0,0]=3 136 B13R0.175 CCOC(=O)CCNC(=O)NCCCl WXVL_AK0465YV0092 [0,1,0,0,0,1|1,0,0]=3 137 B13R0.175 CCOCC(=O)NCCC(=O)OCC WXVL_AK0465SB0091 [0,1,0,0,0,1|0,0,0]=2 138 B13R0.175 CCOCC(=O)NCCC(=O)OCC WXVL_AK0465SB0091 [0,1,0,0,0,1|0,0,0]=2 139 B13R0.332 CCOC(=O)CCNC(=O)C=C(C)C WXVL_AK0465SB0342 [0,1,0,0,0,1|1,0,1]=4 140 B13R0.332 CCOC(=O)CCNC(=O)C=C(C)C WXVL_AK0465SB0342 [0,1,0,0,0,1|1,0,1]=4 141 B13R0.332 CCOC(=O)CCNC(=O)CC(C)C WXVL_AK0465SB0063 [0,1,0,0,0,1|1,0,0]=3 142 B13R0.332 CCOC(=O)CCNC(=O)CC(C)C WXVL_AK0465SB0063 [0,1,0,0,0,1|1,0,0]=3 143 B13R0.332 CCOC(=O)CCNC(=O)CC(C)O WXVL_AK0465SB3643 [0,1,0,0,0,1|1,0,0]=3 144 B13R0.332 CCOC(=O)CCNC(=O)CC(C)O WXVL_AK0465SB3643 [0,1,0,0,0,1|1,0,0]=3 145 B13R0.332 CCOC(=O)CCNC(=O)CN(C)C WXVL_AK0465SB0085 [0,1,0,0,0,1|2,0,0]=4 146 B13R0.332 CCOC(=O)CCNC(=O)CN(C)C WXVL_AK0465SB0085 [0,1,0,0,0,1|2,0,0]=4 147 B13R0.369 C/C=C(\C)/C(=O)NCCC(=O)OCC WXVL_AK0465SB0343 [0,1,0,0,0,1|1,0,1]=4 148 B13R0.369 C/C=C(\C)/C(=O)NCCC(=O)OCC WXVL_AK0465SB0343 [0,1,0,0,0,1|1,0,1]=4 149 B13R0.369 CCOC(=O)CCNC(=O)C(=O)CC WXVL_AK0465SB0344 [0,1,0,0,0,1|1,0,0]=3 150 B13R0.369 CCOC(=O)CCNC(=O)C(=O)CC WXVL_AK0465SB0344 [0,1,0,0,0,1|1,0,0]=3 151 B13R0.369 CCOC(=O)CCNC(=O)C(C)CC WXVL_AK0465SB0054 [0,1,0,0,0,1|1,0,0]=3 152 B13R0.369 CCOC(=O)CCNC(=O)C(C)CC WXVL_AK0465SB0054 [0,1,0,0,0,1|1,0,0]=3 153 B13R0.369 CCOC(=O)CCNC(=O)[C@@H](C)OC WXVL_AK0465SB2926 [0,1,0,0,0,1|2,0,0]=4 154 B13R0.369 CCOC(=O)CCNC(=O)[C@@H](C)OC WXVL_AK0465SB2926 [0,1,0,0,0,1|2,0,0]=4 155 B13R0.369 CCOC(=O)CCNC(=O)[C@@H](O)CC WXVL_AK0465SB3573 [0,1,0,0,0,1|1,0,0]=3 156 B13R0.369 CCOC(=O)CCNC(=O)[C@@H](O)CC WXVL_AK0465SB3573 [0,1,0,0,0,1|1,0,0]=3 157 B13R0.369 CCOC(=O)CCNC(=O)[C@H](C)CC WXVL_AK0465SB00054 [0,1,0,0,0,1|1,0,0]=3 158 B13R0.369 CCOC(=O)CCNC(=O)[C@H](C)CC WXVL_AK0465SB00054 [0,1,0,0,0,1|1,0,0]=3 159 B13R0.1523 CCCS(=O)(=O)NCCC(=O)OCC WXVL_AK0465HU0030 [0,1,0,0,0,1|2,0,0]=4 160 B13R0.1523 CCCS(=O)(=O)NCCC(=O)OCC WXVL_AK0465HU0030 [0,1,0,0,0,1|2,0,0]=4 161 B13R0.55 CCCC(=O)N[C@@H](C)C(=O)OC(C)C WXVL_AK0771SB0073 [0,2,0,0,0,0|2,0,0]=4 162 B13R0.55 CCCC(=O)N[C@@H](C)C(=O)OC(C)C WXVL_AK0771SB0073 [0,2,0,0,0,0|2,0,0]=4 163 B13R0.120 CCOC(=O)[C@H](C)NC(=O)CCOC WXVL_AK1648SB0156 [0,2,0,0,0,0|2,0,0]=4 164 B13R0.120 CCOC(=O)[C@H](C)NC(=O)CCOC WXVL_AK1648SB0156 [0,2,0,0,0,0|2,0,0]=4 165 B13R0.120 CCOC(=O)[C@H](C)NC(=O)CCSC WXVL_AK1648SB0361 [0,2,0,0,0,0|2,0,0]=4 166 B13R0.120 CCOC(=O)[C@H](C)NC(=O)CCSC WXVL_AK1648SB0361 [0,2,0,0,0,0|2,0,0]=4 167 B13R0.120 CCOC(=O)[C@H](C)NC(=O)CSCC WXVL_AK1648SB0002 [0,2,0,0,0,0|1,1,0]=4 168 B13R0.120 CCOC(=O)[C@H](C)NC(=O)CSCC WXVL_AK1648SB0002 [0,2,0,0,0,0|1,1,0]=4 169 B13R0.120 CCOC(=O)[C@H](C)NC(=O)NCCCl WXVL_AK1648YV0092 [0,2,0,0,0,0|2,0,0]=4 170 B13R0.120 CCOC(=O)[C@H](C)NC(=O)NCCCl WXVL_AK1648YV0092 [0,2,0,0,0,0|2,0,0]=4 171 B13R0.120 CCOCC(=O)N[C@@H](C)C(=O)OCC WXVL_AK1648SB0091 [0,2,0,0,0,0|1,0,0]=3 172 B13R0.120 CCOCC(=O)N[C@@H](C)C(=O)OCC WXVL_AK1648SB0091 [0,2,0,0,0,0|1,0,0]=3 173 B13R0.225 CCCC(=O)N[C@@H](CO)C(=O)OCC WXVL_AK0757SB0073 [0,2,0,0,0,0|2,0,0]=4 174 B13R0.225 CCCC(=O)N[C@@H](CO)C(=O)OCC WXVL_AK0757SB0073 [0,2,0,0,0,0|2,0,0]=4 175 B13R0.243 CCOC(=O)[C@H](C)NC(=O)CC(C)C WXVL_AK1648SB0063 [0,2,0,0,0,0|2,0,0]=4 176 B13R0.243 CCOC(=O)[C@H](C)NC(=O)CC(C)C WXVL_AK1648SB0063 [0,2,0,0,0,0|2,0,0]=4 177 B13R0.243 CCOC(=O)[C@H](C)NC(=O)CC(C)O WXVL_AK1648SB3643 [0,2,0,0,0,0|2,0,0]=4 178 B13R0.243 CCOC(=O)[C@H](C)NC(=O)CC(C)O WXVL_AK1648SB3643 [0,2,0,0,0,0|2,0,0]=4 179 B13R0.246 CCOC(=O)[C@H](C)NC(=O)C(=O)CC WXVL_AK1648SB0344 [0,2,0,0,0,0|2,0,0]=4 180 B13R0.246 CCOC(=O)[C@H](C)NC(=O)C(=O)CC WXVL_AK1648SB0344 [0,2,0,0,0,0|2,0,0]=4 181 B13R0.246 CCOC(=O)[C@H](C)NC(=O)C(C)CC WXVL_AK1648SB0054 [0,2,0,0,0,0|2,0,0]=4 182 B13R0.246 CCOC(=O)[C@H](C)NC(=O)C(C)CC WXVL_AK1648SB0054 [0,2,0,0,0,0|2,0,0]=4 183 B13R0.246 CCOC(=O)[C@H](C)NC(=O)[C@@H](O)CC WXVL_AK1648SB3573 [0,2,0,0,0,0|2,0,0]=4 184 B13R0.246 CCOC(=O)[C@H](C)NC(=O)[C@@H](O)CC WXVL_AK1648SB3573 [0,2,0,0,0,0|2,0,0]=4 185 B13R0.246 CCOC(=O)[C@H](C)NC(=O)[C@H](C)CC WXVL_AK1648SB00054 [0,2,0,0,0,0|2,0,0]=4 186 B13R0.246 CCOC(=O)[C@H](C)NC(=O)[C@H](C)CC WXVL_AK1648SB00054 [0,2,0,0,0,0|2,0,0]=4 187 B13R0.20 CCOC(=O)CNC(=O)N(CC)CC WXVL_AN0042YV0151 [0,2,0,0,0,0|2,0,0]=4 188 B13R0.20 CCOC(=O)CNC(=O)N(CC)CC WXVL_AN0042YV0151 [0,2,0,0,0,0|2,0,0]=4 189 B13R0.368 CCOC(=O)CNC(=O)N(C)C(C)C WXVL_AN0073YV0151 [0,2,0,0,0,0|2,0,0]=4 190 B13R0.368 CCOC(=O)CNC(=O)N(C)C(C)C WXVL_AN0073YV0151 [0,2,0,0,0,0|2,0,0]=4 191 B13R0.17 C#C[C@@H](C)NC(=O)NCC(=O)OCC WXVL_AK00735YV0151 [0,2,0,0,0,0|2,0,0]=4 192 B13R0.17 C#C[C@@H](C)NC(=O)NCC(=O)OCC WXVL_AK00735YV0151 [0,2,0,0,0,0|2,0,0]=4 193 B13R0.17 C=CC(C)NC(=O)NCC(=O)OCC WXVL_AK00769YV0151 [0,2,0,0,0,0|2,0,0]=4 194 B13R0.17 C=CC(C)NC(=O)NCC(=O)OCC WXVL_AK00769YV0151 [0,2,0,0,0,0|2,0,0]=4 195 B13R0.17 CCOC(=O)CNC(=O)NC(C)C#N WXVL_AK00810YV0151 [0,2,0,0,0,0|2,0,0]=4 196 B13R0.17 CCOC(=O)CNC(=O)NC(C)C#N WXVL_AK00810YV0151 [0,2,0,0,0,0|2,0,0]=4 197 B13R0.17 CCOC(=O)CNC(=O)N[C@@H](C)CC WXVL_AK00678YV0151 [0,2,0,0,0,0|2,0,0]=4 198 B13R0.17 CCOC(=O)CNC(=O)N[C@@H](C)CC WXVL_AK00678YV0151 [0,2,0,0,0,0|2,0,0]=4 199 B13R0.17 CCOC(=O)CNC(=O)N[C@@H](C)CF WXVL_AK00558YV0151 [0,2,0,0,0,0|2,0,0]=4 200 B13R0.17 CCOC(=O)CNC(=O)N[C@@H](C)CF WXVL_AK00558YV0151 [0,2,0,0,0,0|2,0,0]=4 201 B13R0.17 CCOC(=O)CNC(=O)N[C@@H](C)CO WXVL_AK0109YV0151 [0,2,0,0,0,0|2,0,0]=4 202 B13R0.17 CCOC(=O)CNC(=O)N[C@@H](C)CO WXVL_AK0109YV0151 [0,2,0,0,0,0|2,0,0]=4 203 B13R0.95 C=C(C)CNC(=O)NCC(=O)OCC WXVL_AK0761YV0151 [0,2,0,0,0,0|2,0,0]=4 204 B13R0.95 C=C(C)CNC(=O)NCC(=O)OCC WXVL_AK0761YV0151 [0,2,0,0,0,0|2,0,0]=4 205 B13R0.95 CCOC(=O)CNC(=O)NCC(C)C WXVL_AK00544YV0151 [0,2,0,0,0,0|2,0,0]=4 206 B13R0.95 CCOC(=O)CNC(=O)NCC(C)C WXVL_AK00544YV0151 [0,2,0,0,0,0|2,0,0]=4 207 B13R0.95 CCOC(=O)CNC(=O)NCC(C)O WXVL_AK0052YV0151 [0,2,0,0,0,0|2,0,0]=4 208 B13R0.95 CCOC(=O)CNC(=O)NCC(C)O WXVL_AK0052YV0151 [0,2,0,0,0,0|2,0,0]=4 209 B13R0.95 CCOC(=O)CNC(=O)NCC(F)F WXVL_AK0136YV0151 [0,2,0,0,0,0|2,0,0]=4 210 B13R0.95 CCOC(=O)CNC(=O)NCC(F)F WXVL_AK0136YV0151 [0,2,0,0,0,0|2,0,0]=4 211 B13R0.95 CCOC(=O)CNC(=O)NC[C@H](C)O WXVL_AK0113YV0151 [0,2,0,0,0,0|2,0,0]=4 212 B13R0.95 CCOC(=O)CNC(=O)NC[C@H](C)O WXVL_AK0113YV0151 [0,2,0,0,0,0|2,0,0]=4 213 B13R0.193 C#CCCNC(=O)NCC(=O)OCC WXVL_AK3109YV0151 [0,2,0,0,0,0|2,0,0]=4 214 B13R0.193 C#CCCNC(=O)NCC(=O)OCC WXVL_AK3109YV0151 [0,2,0,0,0,0|2,0,0]=4 215 B13R0.193 C=CCCNC(=O)NCC(=O)OCC WXVL_AK00138YV0151 [0,2,0,0,0,0|2,0,0]=4 216 B13R0.193 C=CCCNC(=O)NCC(=O)OCC WXVL_AK00138YV0151 [0,2,0,0,0,0|2,0,0]=4 217 B13R0.193 CCCCNC(=O)NCC(=O)OCC WXVL_AK00588YV0151 [0,2,0,0,0,0|2,0,0]=4 218 B13R0.193 CCCCNC(=O)NCC(=O)OCC WXVL_AK00588YV0151 [0,2,0,0,0,0|2,0,0]=4 219 B13R0.193 CCOC(=O)CNC(=O)NCCC#N WXVL_AK0087YV0151 [0,2,0,0,0,0|2,0,0]=4 220 B13R0.193 CCOC(=O)CNC(=O)NCCC#N WXVL_AK0087YV0151 [0,2,0,0,0,0|2,0,0]=4 221 B13R0.193 CCOC(=O)CNC(=O)NCCCO WXVL_AK0073YV0151 [0,2,0,0,0,0|2,0,0]=4 222 B13R0.193 CCOC(=O)CNC(=O)NCCCO WXVL_AK0073YV0151 [0,2,0,0,0,0|2,0,0]=4 223 B13R0.193 CCOC(=O)CNC(=O)NCCSC WXVL_AK00440YV0151 [0,2,0,0,0,0|2,0,0]=4 224 B13R0.193 CCOC(=O)CNC(=O)NCCSC WXVL_AK00440YV0151 [0,2,0,0,0,0|2,0,0]=4 225 B13R0.27 CCCC(=O)NCC(=O)OC(C)(C)C WXVL_AK0744SB0073 [0,2,0,0,0,0|2,0,0]=4 226 B13R0.27 CCCC(=O)NCC(=O)OC(C)(C)C WXVL_AK0744SB0073 [0,2,0,0,0,0|2,0,0]=4 227 B13R0.27 CCNC(=O)CCC(=O)OC(C)(C)C WXVL_AK00476SB3197 [0,2,0,0,0,0|1,0,0]=3 228 B13R0.27 CCNC(=O)CCC(=O)OC(C)(C)C WXVL_AK00476SB3197 [0,2,0,0,0,0|1,0,0]=3 229 B13R0.27 CCOC(=O)CNC(=O)NC(C)(C)C WXVL_AK0024YV0151 [0,2,0,0,0,0|2,0,0]=4 230 B13R0.27 CCOC(=O)CNC(=O)NC(C)(C)C WXVL_AK0024YV0151 [0,2,0,0,0,0|2,0,0]=4 231 B11R1.16 CCNC(=O)C1CC=CCC1 WXVL_AK00476SB3640 [1,0,0,1,0,0|2,0,0]=4 232 B11R1.16 CCNC(=O)C1CC=CCC1 WXVL_AK00476SB3640 [1,0,0,1,0,0|2,0,0]=4 233 B11R1.16 CCNC(=O)C1CCOCC1 WXVL_AK00476SB0149 [1,0,0,1,0,0|1,0,1]=4 234 B11R1.16 CCNC(=O)C1CCOCC1 WXVL_AK00476SB0149 [1,0,0,1,0,0|1,0,1]=4 235 B11R1.15 CCNC(=O)C1CNC(=O)C1 WXVL_AK00476SB0366 [1,0,0,1,0,0|2,0,0]=4 236 B11R1.15 CCNC(=O)C1CNC(=O)C1 WXVL_AK00476SB0366 [1,0,0,1,0,0|2,0,0]=4 237 B11R1.15 CCNC(=O)[C@@H]1CCC(=O)N1 WXVL_AK00476SB0126 [1,0,0,1,0,0|2,0,0]=4 238 B11R1.15 CCNC(=O)[C@@H]1CCC(=O)N1 WXVL_AK00476SB0126 [1,0,0,1,0,0|2,0,0]=4 239 B11R1.23 CCC(=O)N1CCNC(=O)C1 WXVL_AN0102SB0064 [1,0,0,1,0,0|2,0,0]=4 240 B11R1.23 CCC(=O)N1CCNC(=O)C1 WXVL_AN0102SB0064 [1,0,0,1,0,0|2,0,0]=4 241 B11R1.23 CCC(=O)N1CCOC(=O)C1 WXVL_AN4960SB0064 [1,0,0,1,0,0|1,0,0]=3 242 B11R1.23 CNC(=O)C1CCNC(=O)C1 WXVL_AK00442SB2983 [1,0,0,1,0,0|2,0,0]=4 243 B11R1.23 CNC(=O)C1CCNC(=O)C1 WXVL_AK00442SB2983 [1,0,0,1,0,0|2,0,0]=4 244 B11R1.23 O=C1CN(CCO1)C(=O)CO WXVL_AN4960SB2706 [1,0,0,1,0,0|2,0,0]=4 245 B11R1.228 CCC(=O)N[C@@H]1CCNC1=O WXVL_AK0496SB0064 [1,0,0,1,0,0|2,0,0]=4 246 B11R1.228 CCC(=O)N[C@@H]1CCNC1=O WXVL_AK0496SB0064 [1,0,0,1,0,0|2,0,0]=4 247 B11R1.228 CNC(=O)CN1CCOC1=O WXVL_AK00442SB8467 [1,0,0,1,0,0|2,0,0]=4 248 B11R1.228 CNC(=O)CN1CCOC1=O WXVL_AK00442SB8467 [1,0,0,1,0,0|2,0,0]=4 249 B13R1.444 CCNC(=O)CCN1CCOC1=O WXVL_AK00476SB0844 [0,0,0,1,0,1|1,0,0]=3 250 B13R1.444 CCNC(=O)CCN1CCOC1=O WXVL_AK00476SB0844 [0,0,0,1,0,1|1,0,0]=3 251 B13R1.1463 CCCC(=O)N1CCNC(=O)CC1 WXVL_AN00585SB0073 [0,0,0,1,0,1|2,0,0]=4 252 B13R1.1496 CCOC(=O)CCNC(=O)C1CC1 WXVL_AK0465SB0038 [0,0,0,1,0,1|1,0,0]=3 253 B13R1.1496 CCOC(=O)CCNC(=O)C1CC1 WXVL_AK0465SB0038 [0,0,0,1,0,1|1,0,0]=3 254 B13R1.1494 CCOC(=O)[C@H](C)NC(=O)C1CC1 WXVL_AK1648SB0038 [0,1,0,1,0,0|2,0,0]=4 255 B13R1.1494 CCOC(=O)[C@H](C)NC(=O)C1CC1 WXVL_AK1648SB0038 [0,1,0,1,0,0|2,0,0]=4 256 B13R1.22 CCC(=O)C(=O)N1CCOC(=O)C1 WXVL_AN4960SB0344 [0,1,0,1,0,0|2,0,0]=4 257 B13R1.22 CCC(C)C(=O)N1CCOC(=O)C1 WXVL_AN4960SB0054 [0,1,0,1,0,0|2,0,0]=4 258 B13R1.22 CC[C@@H](C)C(=O)N1CCOC(=O)C1 WXVL_AN4960SB00054 [0,1,0,1,0,0|2,0,0]=4 259 B13R1.22 CC[C@H](O)C(=O)N1CCOC(=O)C1 WXVL_AN4960SB3573 [0,1,0,1,0,0|2,0,0]=4 260 B13R1.18 CCCNC(=O)C1CCNC(=O)C1 WXVL_AK00504SB2983 [0,1,0,1,0,0|2,0,0]=4 261 B13R1.18 CCCNC(=O)C1CCNC(=O)C1 WXVL_AK00504SB2983 [0,1,0,1,0,0|2,0,0]=4 262 B13R1.18 CCOCC(=O)N1CCNC(=O)C1 WXVL_AN0102SB0091 [0,1,0,1,0,0|2,0,0]=4 263 B13R1.18 CCOCC(=O)N1CCNC(=O)C1 WXVL_AN0102SB0091 [0,1,0,1,0,0|2,0,0]=4 264 B13R1.18 CCOCC(=O)N1CCOC(=O)C1 WXVL_AN4960SB0091 [0,1,0,1,0,0|1,0,0]=3 265 B13R1.18 CCSCC(=O)N1CCOC(=O)C1 WXVL_AN4960SB0002 [0,1,0,1,0,0|1,1,0]=4 266 B13R1.18 COCCC(=O)N1CCOC(=O)C1 WXVL_AN4960SB0156 [0,1,0,1,0,0|2,0,0]=4 267 B13R1.18 CSCCC(=O)N1CCOC(=O)C1 WXVL_AN4960SB0361 [0,1,0,1,0,0|2,0,0]=4 268 B13R1.18 O=C1CC(CCN1)C(=O)NCCF WXVL_AK00466SB2983 [0,1,0,1,0,0|2,0,0]=4 269 B13R1.18 O=C1CC(CCN1)C(=O)NCCF WXVL_AK00466SB2983 [0,1,0,1,0,0|2,0,0]=4 270 B13R1.18 O=C1CN(CCO1)C(=O)NCCCl WXVL_AN4960YV0092 [0,1,0,1,0,0|2,0,0]=4 271 B13R1.686 CCCNC(=O)CN1CCOC1=O WXVL_AK00504SB8467 [0,1,0,1,0,0|2,0,0]=4 272 B13R1.686 CCCNC(=O)CN1CCOC1=O WXVL_AK00504SB8467 [0,1,0,1,0,0|2,0,0]=4 273 B13R1.686 CCOCC(=O)N[C@@H]1CCNC1=O WXVL_AK0496SB0091 [0,1,0,1,0,0|2,0,0]=4 274 B13R1.686 CCOCC(=O)N[C@@H]1CCNC1=O WXVL_AK0496SB0091 [0,1,0,1,0,0|2,0,0]=4 275 B13R1.686 O=C(CN1CCOC1=O)NCCF WXVL_AK00466SB8467 [0,1,0,1,0,0|2,0,0]=4 276 B13R1.686 O=C(CN1CCOC1=O)NCCF WXVL_AK00466SB8467 [0,1,0,1,0,0|2,0,0]=4 277 B13R1.3132 CCOC(=O)CNC(=O)NC1CC1 WXVL_AK0001YV0151 [0,1,0,1,0,0|2,0,0]=4 278 B13R1.3132 CCOC(=O)CNC(=O)NC1CC1 WXVL_AK0001YV0151 [0,1,0,1,0,0|2,0,0]=4 279 B13R1.147 CC(C)CC(=O)N1CCOC(=O)C1 WXVL_AN4960SB0063 [0,1,0,1,0,0|2,0,0]=4 280 B13R1.147 CC(C)NC(=O)C1CCNC(=O)C1 WXVL_AK0030SB2983 [0,1,0,1,0,0|2,0,0]=4 281 B13R1.147 CC(C)NC(=O)C1CCNC(=O)C1 WXVL_AK0030SB2983 [0,1,0,1,0,0|2,0,0]=4 282 B13R1.147 CC(O)CC(=O)N1CCOC(=O)C1 WXVL_AN4960SB3643 [0,1,0,1,0,0|2,0,0]=4 283 B13R1.282 CC(C)NC(=O)CN1CCOC1=O WXVL_AK0030SB8467 [0,1,0,1,0,0|2,0,0]=4 284 B13R1.282 CC(C)NC(=O)CN1CCOC1=O WXVL_AK0030SB8467 [0,1,0,1,0,0|2,0,0]=4 285 B13R2.5324 O=C1CN(CCO1)C(=O)C2CC2 WXVL_AN4960SB0038 [0,0,0,2,0,0|2,0,0]=4 286 B9R0.34 CCNC(=O)CC(=O)OC WXVL_AK00476SB2790 [1,0,0,0,1,0|1,0,0]=3 287 B9R0.34 CCNC(=O)CC(=O)OC WXVL_AK00476SB2790 [1,0,0,0,1,0|1,0,0]=3 288 B9R0.34 CCOC(=O)CC(=O)NC WXVL_AK00442SB3094 [1,0,0,0,1,0|1,0,0]=3 289 B9R0.34 CCOC(=O)CC(=O)NC WXVL_AK00442SB3094 [1,0,0,0,1,0|1,0,0]=3 290 B9R0.35 CCNC(=O)C(=O)OCC WXVL_AK00476SB4144 [0,0,0,0,2,0|1,0,0]=3 291 B9R0.35 CCNC(=O)C(=O)OCC WXVL_AK00476SB4144 [0,0,0,0,2,0|1,0,0]=3