0 B8R0.19 C#CC(=O)CC(=O)CC 1458a_100000211873_100000747405 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.19 C#CC(=O)CC(=O)NC 1458a_100000211873_100000183359 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.19 C#CC(=O)CC(=O)OC 1458a_100000211873_100000747449 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.19 C=CC(=O)CC(=O)CC 1458a_100000185746_100000747405 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.19 C=CC(=O)CC(=O)NC 1458a_100000185746_100000183359 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.19 C=CC(=O)CC(=O)OC 1458a_100000185746_100000747449 [0,0,0,0,0,0|2,0,1]=3 6 B8R0.19 CCC(=CC(=O)NC)C 11a_106832991635_100020758463 [0,0,0,0,0,0|4,0,0]=4 7 B8R0.19 CCC(=CC(=O)NC)C 1626a_100102657272_100020758463 [0,0,0,0,0,0|4,0,0]=4 8 B8R0.19 CCC(=CC(=O)NC)C 240690a_100102657272_100020758463 [0,0,0,0,0,0|4,0,0]=4 9 B8R0.19 CCC(=O)C=C(C)CC 1458a_100020758463_100000210202 [0,0,0,0,0,0|4,0,0]=4 10 B8R0.19 CCC(=O)CC(=O)CC 1458a_100000210414_100000747405 [0,0,0,0,0,0|3,0,0]=3 11 B8R0.19 CCC(=O)CC(=O)CO 1458a_100000210174_100000747405 [0,0,0,0,0,0|4,0,0]=4 12 B8R0.19 CCC(=O)CC(=O)NC 1458a_100000210414_100000183359 [0,0,0,0,0,0|3,0,0]=3 13 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000210414_100000747449 [0,0,0,0,0,0|2,0,0]=2 14 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000211351_100000210202 [0,0,0,0,0,0|2,0,0]=2 15 B8R0.19 CCN(C)CC(=O)OC 2230a_100000198492_100000210202 [0,0,0,0,0,0|4,0,0]=4 16 B8R0.19 CCN(C)CC(=O)OC 2230a_100000225621_100000747449 [0,0,0,0,0,0|4,0,0]=4 17 B8R0.19 CCN(C)CC(=O)OC 269982a_100000225621_100000747449 [0,0,0,0,0,0|4,0,0]=4 18 B8R0.19 CNC(=O)CC(=O)CO 1458a_100000210174_100000183359 [0,0,0,0,0,0|4,0,0]=4 19 B8R0.19 CNC(=O)CC(=O)OC 240690a_100102657272_100000211351 [0,0,0,0,0,0|2,0,0]=2 20 B8R0.19 CNC(C)CC(=O)OC 2230a_106832991635_100009817358 [0,0,0,0,0,0|3,0,1]=4 21 B8R0.19 CNC(C)CC(=O)OC 34a_100102657272_100009817358 [0,0,0,0,0,0|3,0,1]=4 22 B8R0.19 CNC(C)CC(=O)OC 7a_106832991635_100009817358 [0,0,0,0,0,0|3,0,1]=4 23 B8R0.19 COC(=O)CC(=O)CF 1458a_100000211351_100015361967 [0,0,0,0,0,0|3,0,0]=3 24 B8R0.19 COC(=O)CC(=O)CO 1458a_100000210174_100000747449 [0,0,0,0,0,0|3,0,0]=3 25 B8R0.19 COC(=O)CC(C)OC 34a_100138415774_100009817358 [0,0,0,0,0,0|2,0,1]=3 26 B8R0.19 COC(=O)CC(C)SC 62a_100009817358_200000210301 [0,0,0,0,0,0|2,1,1]=4 27 B8R0.19 COC(=O)CC(C)SC 62a_200000210301_100009817358 [0,0,0,0,0,0|2,1,1]=4 28 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_100009817358_200025704644 [0,0,0,0,0,0|2,1,1]=4 29 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_200025704644_100009817358 [0,0,0,0,0,0|2,1,1]=4 30 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [1,0,0,0,0,0|3,0,0]=4 31 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_100009818208_200025704644 [1,0,0,0,0,0|1,1,1]=4 32 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_200025704644_100009818208 [1,0,0,0,0,0|1,1,1]=4 33 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [1,0,0,0,0,0|3,0,0]=4 34 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [1,0,0,0,0,0|3,0,0]=4 35 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [1,0,0,0,0,0|3,0,0]=4 36 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [1,0,0,0,0,0|3,0,0]=4 37 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [1,0,0,0,0,0|3,0,0]=4 38 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [1,0,0,0,0,0|2,0,0]=3 39 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [1,0,0,0,0,0|3,0,0]=4 40 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [1,0,0,0,0,0|3,0,0]=4 41 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [1,0,0,0,0,0|2,0,1]=4 42 B7R0.2 CNC(=O)C=C(C)C 11a_106832991635_100000211388 [1,0,0,0,0,0|3,0,0]=4 43 B7R0.2 CNC(=O)C=C(C)C 1626a_100102657272_100000211388 [1,0,0,0,0,0|3,0,0]=4 44 B7R0.2 CNC(=O)C=C(C)C 240690a_100102657272_100000211388 [1,0,0,0,0,0|3,0,0]=4 45 B7R0.2 CNC(=O)C=C(C)Cl 11a_106832991635_200042562850 [1,0,0,0,0,0|3,0,0]=4 46 B7R0.2 CNC(=O)C=C(C)Cl 1626a_100102657272_200042562850 [1,0,0,0,0,0|3,0,0]=4 47 B7R0.2 CNC(=O)C=C(C)Cl 240690a_100102657272_200042562850 [1,0,0,0,0,0|3,0,0]=4 48 B7R0.2 CNC(=O)C=C(C)I 11a_106832991635_100025716642 [1,0,0,0,0,0|3,0,0]=4 49 B7R0.2 CNC(=O)C=C(C)I 1626a_100102657272_100025716642 [1,0,0,0,0,0|3,0,0]=4 50 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [1,0,0,0,0,0|2,0,0]=3 51 B7R0.2 CNC(=O)CC(=O)N 240690a_100102657272_100134613110 [1,0,0,0,0,0|3,0,0]=4 52 B7R0.2 CNC(=O)CC(=O)N 527a_100102657272_100134613110 [1,0,0,0,0,0|3,0,0]=4 53 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [1,0,0,0,0,0|1,0,0]=2 54 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [1,0,0,0,0,0|1,0,0]=2 55 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [1,0,0,0,0,0|1,0,0]=2 56 B7R0.2 COC(=O)CN(C)C 2230a_100000198492_200000210301 [1,0,0,0,0,0|3,0,0]=4 57 B7R0.2 COC(=O)CN(C)C 2230a_100102631434_100000747449 [1,0,0,0,0,0|3,0,0]=4 58 B7R0.2 COC(=O)CN(C)C 269982a_100102631434_100000747449 [1,0,0,0,0,0|3,0,0]=4 59 B7R0.2 COC(=O)CN(C)[13CH3] 2230a_100000198492_200025704644 [1,0,0,0,0,0|3,0,0]=4 60 B7R0.2 CSC(C)OC(=O)C 62a_100009818208_200000210301 [1,0,0,0,0,0|1,1,1]=4 61 B7R0.2 CSC(C)OC(=O)C 62a_200000210301_100009818208 [1,0,0,0,0,0|1,1,1]=4 62 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [1,0,0,0,0,0|3,0,0]=4 63 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [1,0,0,0,0,0|3,0,0]=4 64 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [1,0,0,0,0,0|3,0,0]=4 65 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [1,0,0,0,0,0|3,0,0]=4 66 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [1,0,0,0,0,0|3,0,0]=4 67 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [1,0,0,0,0,0|3,0,0]=4 68 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [1,0,0,0,0,0|3,0,0]=4 69 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [1,0,0,0,0,0|2,0,0]=3 70 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [1,0,0,0,0,0|2,0,1]=4 71 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [1,0,0,0,0,0|2,0,1]=4 72 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [1,0,0,0,0,0|3,0,0]=4 73 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [1,0,0,0,0,0|3,0,0]=4 74 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [1,0,0,0,0,0|3,0,0]=4 75 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [1,0,0,0,0,0|3,0,0]=4 76 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [1,0,0,0,0,0|3,0,0]=4 77 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [1,0,0,0,0,0|3,0,0]=4 78 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [1,0,0,0,0,0|3,0,0]=4 79 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [1,0,0,0,0,0|3,0,0]=4 80 B7R0.3 CNC(=O)C=COC 1626a_100102657272_100016268678 [1,0,0,0,0,0|2,0,0]=3 81 B7R0.3 CNC(=O)C=COC 240690a_100102657272_100016268678 [1,0,0,0,0,0|2,0,0]=3 82 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [1,0,0,0,0,0|2,0,1]=4 83 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [1,0,0,0,0,0|2,0,1]=4 84 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [1,0,0,0,0,0|2,0,1]=4 85 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [1,0,0,0,0,0|2,0,1]=4 86 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [1,0,0,0,0,0|2,0,1]=4 87 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [1,0,0,0,0,0|2,0,1]=4 88 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [1,0,0,0,0,0|2,0,1]=4 89 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [1,0,0,0,0,0|2,0,1]=4 90 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [1,0,0,0,0,0|2,0,1]=4 91 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [1,0,0,0,0,0|2,0,1]=4 92 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [1,0,0,0,0,0|1,1,1]=4 93 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [1,0,0,0,0,0|1,1,1]=4 94 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [1,0,0,0,0,0|1,1,1]=4 95 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [1,0,0,0,0,0|1,1,1]=4 96 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [1,0,0,0,0,0|0,1,1]=3 97 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [1,0,0,0,0,0|0,1,1]=3 98 B7R0.3 COC=CC(=O)CF 1458a_100016268678_100015361967 [1,0,0,0,0,0|3,0,0]=4 99 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [1,0,0,0,0,0|1,0,1]=3 100 B9R0.22 CNS(=O)(=O)CC(=O)OC 270084a_100102657272_100000736875 [0,1,0,0,0,0|3,0,0]=4 101 B9R0.22 CNS(=O)(=O)CC(=O)OC 274078a_100102657272_100000736875 [0,1,0,0,0,0|3,0,0]=4 102 B9R0.22 COC(=O)CC(C)(C)OC 7a_100015205050_200000210301 [0,1,0,0,0,0|2,0,1]=4 103 B9R0.22 COC(=O)CC(C)(C)O[13CH3] 7a_100015205050_200025704644 [0,1,0,0,0,0|2,0,1]=4 104 B9R0.26 CC[C@@H](CC(=O)OC)OC 7a_200015357724_200000210301 [0,1,0,0,0,0|2,0,1]=4 105 B9R0.26 CC[C@@H](CC(=O)OC)O[13CH3] 7a_200015357724_200025704644 [0,1,0,0,0,0|2,0,1]=4 106 B9R0.26 COC(=O)C[C@H](CCl)OC 7a_100000754131_200000210301 [0,1,0,0,0,0|2,0,1]=4 107 B9R0.26 COC(=O)C[C@H](CCl)O[13CH3] 7a_100000754131_200025704644 [0,1,0,0,0,0|2,0,1]=4 108 B9R0.27 C#CC(=O)C(C)C(=O)OC 1458a_100000211873_100000211248 [0,1,0,0,0,0|2,0,1]=4 109 B9R0.27 C=CC(=O)C(C)C(=O)OC 1458a_100000185746_100000211248 [0,1,0,0,0,0|2,0,1]=4 110 B9R0.27 CCC(=O)C(C)C(=O)CC 1458a_100000210414_100000742827 [0,1,0,0,0,0|3,0,0]=4 111 B9R0.27 CCC(=O)C(C)C(=O)NC 1458a_100000210414_100000209862 [0,1,0,0,0,0|3,0,0]=4 112 B9R0.27 CCC(=O)C(C)C(=O)OC 1458a_100000210414_100000211248 [0,1,0,0,0,0|2,0,0]=3 113 B9R0.27 CCC(=O)C(C)C(=O)OC 1458a_100012027023_100000210202 [0,1,0,0,0,0|2,0,0]=3 114 B9R0.27 CCC(=O)C(F)C(=O)NC 1458a_100000210414_100009813575 [0,1,0,0,0,0|3,0,0]=4 115 B9R0.27 CNC(=O)C(C)C(=O)OC 11a_106832991635_100012027023 [0,1,0,0,0,0|2,0,0]=3 116 B9R0.27 CNC(=O)C(C)C(=O)OC 1626a_100102657272_100012027023 [0,1,0,0,0,0|2,0,0]=3 117 B9R0.27 CNC(=O)C(C)C(=O)OC 240690a_100102657272_100012027023 [0,1,0,0,0,0|2,0,0]=3 118 B9R0.27 CNC(=O)C(C)C(=O)OC 527a_100102657272_100012027023 [0,1,0,0,0,0|2,0,0]=3 119 B9R0.27 COC(=O)C(=O)C(C)OC 34a_100138415774_100000692041 [0,1,0,0,0,0|2,0,1]=4 120 B9R0.27 COC(=O)C(C)C(=O)CF 1458a_100012027023_100015361967 [0,1,0,0,0,0|3,0,0]=4 121 B9R0.27 COC(=O)C(C)C(=O)CO 1458a_100000210174_100000211248 [0,1,0,0,0,0|3,0,0]=4 122 B9R0.27 COC(=O)[C@@H](N)[C@@H](C)OC 34a_100000004424_200000210301 [0,1,0,0,0,0|2,0,1]=4 123 B9R0.27 COC(=O)[C@@H](N)[C@@H](C)O[13CH3] 34a_100000004424_200025704644 [0,1,0,0,0,0|2,0,1]=4 124 B9R0.34 C#CC(=O)CC(=O)OCC 1458a_100000211873_100000188475 [0,1,0,0,0,0|2,0,1]=4 125 B9R0.34 C#CCC(=O)CC(=O)OC 1458a_100000211351_100000184674 [0,1,0,0,0,0|2,0,1]=4 126 B9R0.34 C#CCC(=O)CC(=O)OC 1458a_100011220946_100000747449 [0,1,0,0,0,0|2,0,1]=4 127 B9R0.34 C=CC(=O)CC(=O)OCC 1458a_100000185746_100000188475 [0,1,0,0,0,0|2,0,1]=4 128 B9R0.34 C=CCC(=O)CC(=O)OC 1458a_100000210193_100000747449 [0,1,0,0,0,0|2,0,1]=4 129 B9R0.34 C=CCC(=O)CC(=O)OC 1458a_100000211351_100000210623 [0,1,0,0,0,0|2,0,1]=4 130 B9R0.34 C=COC(=O)CC(=O)CC 1458a_100000210414_100000036128 [0,1,0,0,0,0|2,0,1]=4 131 B9R0.34 CC#CC(=O)CC(=O)CC 1458a_100000763181_100000747405 [0,1,0,0,0,0|3,0,0]=4 132 B9R0.34 CC#CC(=O)CC(=O)NC 1458a_100000763181_100000183359 [0,1,0,0,0,0|3,0,0]=4 133 B9R0.34 CC#CC(=O)CC(=O)OC 1458a_100000763181_100000747449 [0,1,0,0,0,0|2,0,0]=3 134 B9R0.34 CC=CC(=O)CC(=O)CC 1458a_100000210699_100000747405 [0,1,0,0,0,0|3,0,0]=4 135 B9R0.34 CC=CC(=O)CC(=O)NC 1458a_100000210699_100000183359 [0,1,0,0,0,0|3,0,0]=4 136 B9R0.34 CC=CC(=O)CC(=O)OC 1458a_100000210699_100000747449 [0,1,0,0,0,0|2,0,0]=3 137 B9R0.34 CCC(=O)CC(=O)CCO 1458a_100011216618_100000747405 [0,1,0,0,0,0|3,0,0]=4 138 B9R0.34 CCC(=O)CC(=O)COC 1458a_100000210968_100000747405 [0,1,0,0,0,0|2,0,0]=3 139 B9R0.34 CCC(=O)CC(=O)CSC 1458a_100000184570_100000747405 [0,1,0,0,0,0|2,1,0]=4 140 B9R0.34 CCC(=O)CC(=O)NCO 1458a_100000210414_100000185155 [0,1,0,0,0,0|3,0,0]=4 141 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000210414_100000747444 [0,1,0,0,0,0|3,0,0]=4 142 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000211992_100000747405 [0,1,0,0,0,0|3,0,0]=4 143 B9R0.34 CCCC(=O)CC(=O)NC 1458a_100000211992_100000183359 [0,1,0,0,0,0|3,0,0]=4 144 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211351_100000210303 [0,1,0,0,0,0|2,0,0]=3 145 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211992_100000747449 [0,1,0,0,0,0|2,0,0]=3 146 B9R0.34 CCNC(=O)CC(=O)CC 1458a_100000210414_100000183381 [0,1,0,0,0,0|3,0,0]=4 147 B9R0.34 CCNC(=O)CC(=O)OC 240690a_100015525214_100000211351 [0,1,0,0,0,0|2,0,0]=3 148 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000210414_100000188475 [0,1,0,0,0,0|2,0,0]=3 149 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000243816_100000210202 [0,1,0,0,0,0|2,0,0]=3 150 B9R0.34 CCOC(=O)CC(=O)CF 1458a_100000243816_100015361967 [0,1,0,0,0,0|3,0,0]=4 151 B9R0.34 CCOC(=O)CC(=O)CO 1458a_100000210174_100000188475 [0,1,0,0,0,0|3,0,0]=4 152 B9R0.34 CCOC(=O)CC(=O)NC 240690a_100102657272_100000243816 [0,1,0,0,0,0|2,0,0]=3 153 B9R0.34 CCOC(=O)C[C@@H](C)OC 7a_100009816390_200000210301 [0,1,0,0,0,0|2,0,1]=4 154 B9R0.34 CCOC(=O)C[C@@H](C)O[13CH3] 7a_100009816390_200025704644 [0,1,0,0,0,0|2,0,1]=4 155 B9R0.34 CCOC(=O)OC(C)SC 62a_100000036008_200000210301 [0,1,0,0,0,0|1,1,1]=4 156 B9R0.34 CCOC(=O)OC(C)SC 62a_200000210301_100000036008 [0,1,0,0,0,0|1,1,1]=4 157 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_100000036008_200025704644 [0,1,0,0,0,0|1,1,1]=4 158 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_200025704644_100000036008 [0,1,0,0,0,0|1,1,1]=4 159 B9R0.34 CCOC(C)CC(=O)OC 34a_100121572206_100009817358 [0,1,0,0,0,0|2,0,1]=4 160 B9R0.34 CNC(=O)CC(=O)CCO 1458a_100011216618_100000183359 [0,1,0,0,0,0|3,0,0]=4 161 B9R0.34 CNC(=O)CC(=O)COC 1458a_100000210968_100000183359 [0,1,0,0,0,0|2,0,0]=3 162 B9R0.34 CNC(=O)CC(=O)CSC 1458a_100000184570_100000183359 [0,1,0,0,0,0|2,1,0]=4 163 B9R0.34 CNNC(=O)CC(=O)OC 22a_100016993582_100000211351 [0,1,0,0,0,0|2,0,0]=3 164 B9R0.34 COC(=O)CC(=O)C=CBr 1458a_100016273825_100000747449 [0,1,0,0,0,0|2,0,1]=4 165 B9R0.34 COC(=O)CC(=O)C=CCl 1458a_200016279998_100000747449 [0,1,0,0,0,0|2,0,1]=4 166 B9R0.34 COC(=O)CC(=O)C=CI 1458a_100016256311_100000747449 [0,1,0,0,0,0|2,0,1]=4 167 B9R0.34 COC(=O)CC(=O)CC#N 1458a_100000211351_100011214920 [0,1,0,0,0,0|2,0,1]=4 168 B9R0.34 COC(=O)CC(=O)CC#N 1458a_100051588842_100000747449 [0,1,0,0,0,0|2,0,1]=4 169 B9R0.34 COC(=O)CC(=O)CCF 1458a_100000211351_100011217306 [0,1,0,0,0,0|2,0,0]=3 170 B9R0.34 COC(=O)CC(=O)CCO 1458a_100000211351_100000211926 [0,1,0,0,0,0|2,0,0]=3 171 B9R0.34 COC(=O)CC(=O)CCO 1458a_100011216618_100000747449 [0,1,0,0,0,0|2,0,0]=3 172 B9R0.34 COC(=O)CC(=O)CSC 1458a_100000184570_100000747449 [0,1,0,0,0,0|1,1,0]=3 173 B9R0.34 COC(=O)CC(=O)CSC 62a_100000210525_200000210301 [0,1,0,0,0,0|1,1,0]=3 174 B9R0.34 COC(=O)CC(=O)CSC 62a_200000210301_100000210525 [0,1,0,0,0,0|1,1,0]=3 175 B9R0.34 COC(=O)CC(=O)CS[13CH3] 62a_100000210525_200025704644 [0,1,0,0,0,0|1,1,0]=3 176 B9R0.34 COC(=O)CC(=O)CS[13CH3] 62a_200025704644_100000210525 [0,1,0,0,0,0|1,1,0]=3 177 B9R0.34 COC(=O)NC(=O)CSC 62a_200000210301_100000010850 [0,1,0,0,0,0|1,1,0]=3 178 B9R0.34 COC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000010850 [0,1,0,0,0,0|1,1,0]=3 179 B9R0.34 COCC(=O)CC(=O)OC 1458a_100000210968_100000747449 [0,1,0,0,0,0|1,0,0]=2 180 B9R0.34 COCN(C)CC(=O)OC 2230a_100000198492_100000766300 [0,1,0,0,0,0|3,0,0]=4 181 B9R0.34 COC[C@H](O)CC(=O)OC 34a_100138415774_100000754131 [0,1,0,0,0,0|1,0,2]=4 182 B9R0.42 C=C(C)C(=O)CC(=O)CC 1458a_100000185857_100000747405 [0,1,0,0,0,0|3,0,0]=4 183 B9R0.42 C=C(C)C(=O)CC(=O)NC 1458a_100000185857_100000183359 [0,1,0,0,0,0|3,0,0]=4 184 B9R0.42 C=C(C)C(=O)CC(=O)OC 1458a_100000185857_100000747449 [0,1,0,0,0,0|2,0,0]=3 185 B9R0.42 CCC(=O)CC(=O)C(=O)C 1458a_100000210414_100011261029 [0,1,0,0,0,0|3,0,0]=4 186 B9R0.42 CCC(=O)CC(=O)C(C)C 1458a_100000210198_100000747405 [0,1,0,0,0,0|3,0,0]=4 187 B9R0.42 CCC(=O)CC(=O)C(C)C 1458a_100000210414_100000753385 [0,1,0,0,0,0|3,0,0]=4 188 B9R0.42 CCC(=O)CC(=O)C(C)F 1458a_100000062450_100000747405 [0,1,0,0,0,0|3,0,0]=4 189 B9R0.42 CCC(=O)CC(=O)N(C)C 1458a_100000210414_100000185267 [0,1,0,0,0,0|3,0,0]=4 190 B9R0.42 CCC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747405 [0,1,0,0,0,0|3,0,0]=4 191 B9R0.42 CCC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747405 [0,1,0,0,0,0|3,0,0]=4 192 B9R0.42 CNC(=O)CC(=O)C(C)C 1458a_100000210198_100000183359 [0,1,0,0,0,0|3,0,0]=4 193 B9R0.42 CNC(=O)CC(=O)C(C)F 1458a_100000062450_100000183359 [0,1,0,0,0,0|3,0,0]=4 194 B9R0.42 CNC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000183359 [0,1,0,0,0,0|3,0,0]=4 195 B9R0.42 CNC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000183359 [0,1,0,0,0,0|3,0,0]=4 196 B9R0.42 COC(=O)CC(=O)C(C)C 1458a_100000210198_100000747449 [0,1,0,0,0,0|2,0,0]=3 197 B9R0.42 COC(=O)CC(=O)C(C)C 1458a_100000211351_100000210206 [0,1,0,0,0,0|2,0,0]=3 198 B9R0.42 COC(=O)CC(=O)C(C)F 1458a_100000062450_100000747449 [0,1,0,0,0,0|2,0,0]=3 199 B9R0.42 COC(=O)CC(=O)C(O)O 1458a_100000233687_100000747449 [0,1,0,0,0,0|3,0,0]=4 200 B9R0.42 COC(=O)CC(=O)N(C)C 240690a_100102631434_100000211351 [0,1,0,0,0,0|2,0,0]=3 201 B9R0.42 COC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747449 [0,1,0,0,0,0|2,0,0]=3 202 B9R0.42 COC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747449 [0,1,0,0,0,0|2,0,0]=3 203 B9R1.81 CCC(=O)C1CCC1=O 1458a_100000210414_100009892977 [0,0,0,1,0,0|3,0,0]=4 204 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [0,0,0,0,1,0|3,0,0]=4 205 B7R0.10 C/C=C(\C)/C(=O)NC 11a_106832991635_100020587367 [0,0,0,0,1,0|3,0,0]=4 206 B7R0.10 C/C=C(\C)/C(=O)NC 1626a_100102657272_100020587367 [0,0,0,0,1,0|3,0,0]=4 207 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [0,0,0,0,1,0|2,0,0]=3 208 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [0,0,0,0,1,0|2,0,1]=4 209 B7R0.10 CNC(=O)C(=O)CF 1458a_100011218921_100015361967 [0,0,0,0,1,0|3,0,0]=4 210 B7R0.10 CNC(=O)C(=O)NC 1626a_100102657272_100011218921 [0,0,0,0,1,0|2,0,0]=3 211 B7R0.10 CNC(=O)C(=O)NC 240690a_100102657272_100011218921 [0,0,0,0,1,0|2,0,0]=3 212 B7R0.10 CNC(=O)C(=O)NC 527a_100102657272_100011218921 [0,0,0,0,1,0|2,0,0]=3 213 B7R0.10 CNC(=O)C(=O)OC 11a_106832991635_100000024059 [0,0,0,0,1,0|1,0,0]=2 214 B7R0.10 CNC(=O)C(=O)OC 1626a_100102657272_100000024059 [0,0,0,0,1,0|1,0,0]=2 215 B7R0.10 CNC(=O)C(=O)OC 240690a_100102657272_100000024059 [0,0,0,0,1,0|1,0,0]=2 216 B7R0.10 CNC(=O)C(=O)OC 527a_100102657272_100000024059 [0,0,0,0,1,0|1,0,0]=2 217 B7R0.10 CNC(=O)C(C)OC 11a_106832991635_100000743197 [0,0,0,0,1,0|2,0,1]=4 218 B7R0.10 CNC(=O)C(C)OC 1626a_100102657272_100000743197 [0,0,0,0,1,0|2,0,1]=4 219 B7R0.10 CNC(=O)C(C)OC 240690a_100102657272_100000743197 [0,0,0,0,1,0|2,0,1]=4 220 B7R0.10 CNC(=O)C(C)OC 34a_100138415774_100000731044 [0,0,0,0,1,0|2,0,1]=4 221 B7R0.10 CNC(=O)C(C)OC 527a_100102657272_100000743197 [0,0,0,0,1,0|2,0,1]=4 222 B7R0.10 CNC(=O)C(F)OC 34a_100138415774_100009813575 [0,0,0,0,1,0|2,0,1]=4 223 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [0,0,0,0,1,0|2,0,1]=4 224 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [0,0,0,0,1,0|2,0,1]=4 225 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [0,0,0,0,1,0|2,0,1]=4 226 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [0,0,0,0,1,0|1,0,1]=3 227 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [0,0,0,0,1,0|1,0,1]=3 228 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [0,0,0,0,1,0|1,0,1]=3 229 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [0,0,0,0,1,0|1,1,1]=4 230 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [0,0,0,0,1,0|1,1,1]=4 231 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [0,0,0,0,1,0|1,1,1]=4 232 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [0,0,0,0,1,0|1,1,1]=4 233 B9R0.24 CCC(=O)C=CC(=O)NC 1458a_100016259477_100000210202 [0,0,0,0,0,1|3,0,0]=4 234 B9R0.24 CCC(=O)CCC(=O)NC 1458a_100011309844_100000210202 [0,0,0,0,0,1|3,0,0]=4 235 B9R0.24 CCC(=O)CCC(=O)OC 1458a_100000187943_100000210202 [0,0,0,0,0,1|2,0,0]=3 236 B9R0.24 CCC(=O)CNC(=O)CC 1458a_100000194589_100000210202 [0,0,0,0,0,1|3,0,0]=4 237 B9R0.24 CCC(=O)CNC(=O)OC 1458a_100000215747_100000210202 [0,0,0,0,0,1|2,0,0]=3 238 B9R0.24 CCC(=O)NCC(=O)NC 11a_100000693194_100000210414 [0,0,0,0,0,1|3,0,0]=4 239 B9R0.24 CCC(=O)NCC(=O)NC 11a_106832991635_100000194589 [0,0,0,0,0,1|3,0,0]=4 240 B9R0.24 CCC(=O)NCC(=O)NC 1626a_100102657272_100000194589 [0,0,0,0,0,1|3,0,0]=4 241 B9R0.24 CCC(=O)NCC(=O)NC 240690a_100000693194_100000210414 [0,0,0,0,0,1|3,0,0]=4 242 B9R0.24 CCC(=O)NCC(=O)NC 240690a_100102657272_100000194589 [0,0,0,0,0,1|3,0,0]=4 243 B9R0.24 CCC(=O)NCC(=O)NC 527a_100000693194_100000210414 [0,0,0,0,0,1|3,0,0]=4 244 B9R0.24 CCC(=O)NCC(=O)NC 527a_100102657272_100000194589 [0,0,0,0,0,1|3,0,0]=4 245 B9R0.24 CCC(=O)NCC(=O)OC 188690a_100000185156_100000210414 [0,0,0,0,0,1|2,0,0]=3 246 B9R0.24 CCC(=O)NNC(=O)CC 22a_100000183195_100000210414 [0,0,0,0,0,1|3,0,0]=4 247 B9R0.24 CCC(=O)NNC(=O)NC 273464a_100102657272_100000183195 [0,0,0,0,0,1|3,0,0]=4 248 B9R0.24 CCC(=O)NNC(=O)NC 512a_106832991638_100000183195 [0,0,0,0,0,1|3,0,0]=4 249 B9R0.24 CCC(C)OCC(=O)OC 7a_100000210228_100000747449 [0,0,0,0,0,1|2,0,1]=4 250 B9R0.24 CNC(=O)C=CC(=O)NC 1626a_100102657272_100016259477 [0,0,0,0,0,1|3,0,0]=4 251 B9R0.24 CNC(=O)C=CC(=O)OC 1626a_100102657272_100016283253 [0,0,0,0,0,1|2,0,0]=3 252 B9R0.24 CNC(=O)CCC(=O)NC 11a_106832991635_100011309844 [0,0,0,0,0,1|3,0,0]=4 253 B9R0.24 CNC(=O)CCC(=O)NC 1626a_100102657272_100011309844 [0,0,0,0,0,1|3,0,0]=4 254 B9R0.24 CNC(=O)CCC(=O)NC 240690a_100102657272_100011309844 [0,0,0,0,0,1|3,0,0]=4 255 B9R0.24 CNC(=O)CCC(=O)NC 527a_100102657272_100011309844 [0,0,0,0,0,1|3,0,0]=4 256 B9R0.24 CNC(=O)CCC(=O)OC 11a_106832991635_100000187943 [0,0,0,0,0,1|2,0,0]=3 257 B9R0.24 CNC(=O)CCC(=O)OC 1626a_100102657272_100000187943 [0,0,0,0,0,1|2,0,0]=3 258 B9R0.24 CNC(=O)CCC(=O)OC 240690a_100102657272_100000187943 [0,0,0,0,0,1|2,0,0]=3 259 B9R0.24 CNC(=O)CCC(=O)OC 527a_100102657272_100000187943 [0,0,0,0,0,1|2,0,0]=3 260 B9R0.24 CNC(=O)CNC(=O)NC 2708a_100102657272_100000693194 [0,0,0,0,0,1|3,0,0]=4 261 B9R0.24 CNC(=O)CNC(=O)NC 273464a_100000693194_100102657272 [0,0,0,0,0,1|3,0,0]=4 262 B9R0.24 CNC(=O)CNC(=O)NC 273464a_100102657272_100000693194 [0,0,0,0,0,1|3,0,0]=4 263 B9R0.24 CNC(=O)CNC(=O)NC 512a_106832991638_100000693194 [0,0,0,0,0,1|3,0,0]=4 264 B9R0.24 CNC(=O)CNC(=O)OC 11a_106832991635_100000215747 [0,0,0,0,0,1|2,0,0]=3 265 B9R0.24 CNC(=O)CNC(=O)OC 1626a_100102657272_100000215747 [0,0,0,0,0,1|2,0,0]=3 266 B9R0.24 CNC(=O)CNC(=O)OC 240690a_100102657272_100000215747 [0,0,0,0,0,1|2,0,0]=3 267 B9R0.24 CNC(=O)CNC(=O)OC 527a_100102657272_100000215747 [0,0,0,0,0,1|2,0,0]=3 268 B9R0.24 COC(=O)CCC(=O)CF 1458a_100000187943_100015361967 [0,0,0,0,0,1|3,0,0]=4 269 B9R0.24 COC(=O)CNC(=O)CO 188690a_100000185156_100000210174 [0,0,0,0,0,1|3,0,0]=4 270 B9R0.24 COC(=O)CSC(C)OC 62a_100000747449_100009879195 [0,0,0,0,0,1|1,1,1]=4 271 B9R0.24 COC(=O)CSC(C)OC 62a_100009879195_100000747449 [0,0,0,0,0,1|1,1,1]=4 272 B9R0.24 COC(=O)NCC(=O)CF 1458a_100000215747_100015361967 [0,0,0,0,0,1|3,0,0]=4 273 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [2,0,0,0,0,0|2,0,0]=4 274 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [2,0,0,0,0,0|2,0,0]=4 275 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [2,0,0,0,0,0|2,0,0]=4 276 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [2,0,0,0,0,0|2,0,0]=4 277 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [2,0,0,0,0,0|1,0,1]=4 278 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [2,0,0,0,0,0|1,0,1]=4 279 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [2,0,0,0,0,0|1,0,1]=4 280 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [2,0,0,0,0,0|1,0,1]=4 281 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [2,0,0,0,0,0|1,0,1]=4 282 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [2,0,0,0,0,0|1,0,1]=4 283 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [2,0,0,0,0,0|1,0,1]=4 284 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [2,0,0,0,0,0|1,0,1]=4 285 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [2,0,0,0,0,0|1,0,1]=4 286 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [2,0,0,0,0,0|1,0,1]=4 287 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [2,0,0,0,0,0|1,0,1]=4 288 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [2,0,0,0,0,0|1,0,1]=4 289 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [2,0,0,0,0,0|1,0,1]=4 290 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [2,0,0,0,0,0|0,1,1]=4 291 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [2,0,0,0,0,0|0,1,1]=4 292 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [2,0,0,0,0,0|0,1,1]=4 293 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [2,0,0,0,0,0|0,1,1]=4 294 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [2,0,0,0,0,0|0,0,1]=3 295 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [2,0,0,0,0,0|2,0,0]=4 296 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [2,0,0,0,0,0|2,0,0]=4 297 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [2,0,0,0,0,0|2,0,0]=4 298 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [2,0,0,0,0,0|2,0,0]=4 299 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [2,0,0,0,0,0|2,0,0]=4 300 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [2,0,0,0,0,0|2,0,0]=4 301 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [2,0,0,0,0,0|2,0,0]=4 302 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [2,0,0,0,0,0|2,0,0]=4 303 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [2,0,0,0,0,0|2,0,0]=4 304 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [2,0,0,0,0,0|1,0,1]=4 305 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [2,0,0,0,0,0|2,0,0]=4 306 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [2,0,0,0,0,0|2,0,0]=4 307 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [2,0,0,0,0,0|1,0,1]=4 308 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [2,0,0,0,0,0|1,0,1]=4 309 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [2,0,0,0,0,0|0,1,1]=4 310 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [2,0,0,0,0,0|0,1,1]=4 311 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [2,0,0,0,0,0|2,0,0]=4 312 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [2,0,0,0,0,0|2,0,0]=4 313 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [2,0,0,0,0,0|2,0,0]=4 314 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [2,0,0,0,0,0|2,0,0]=4 315 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [2,0,0,0,0,0|2,0,0]=4 316 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [2,0,0,0,0,0|1,0,1]=4 317 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [2,0,0,0,0,0|1,0,0]=3 318 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [2,0,0,0,0,0|1,0,0]=3 319 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [2,0,0,0,0,0|1,0,1]=4 320 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [2,0,0,0,0,0|1,0,1]=4 321 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [2,0,0,0,0,0|1,0,1]=4 322 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [2,0,0,0,0,0|1,0,1]=4 323 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [2,0,0,0,0,0|1,0,1]=4 324 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [2,0,0,0,0,0|0,0,1]=3 325 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [2,0,0,0,0,0|0,1,1]=4 326 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [2,0,0,0,0,0|0,1,1]=4 327 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000070787_100000742827 [1,1,0,0,0,0|2,0,0]=4 328 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000210414_100000179758 [1,1,0,0,0,0|2,0,0]=4 329 B8R0.2 CNC(=O)C(C)C(=O)C 1458a_100000070787_100000209862 [1,1,0,0,0,0|2,0,0]=4 330 B8R0.2 CNC(=O)C(F)C(=O)C 1458a_100000070787_100009813575 [1,1,0,0,0,0|2,0,0]=4 331 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100000070787_100000211248 [1,1,0,0,0,0|1,0,0]=3 332 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100012027023_200000210301 [1,1,0,0,0,0|1,0,0]=3 333 B8R0.2 COC(=O)C(C)C(=O)[13CH3] 1458a_100012027023_200025704644 [1,1,0,0,0,0|1,0,0]=3 334 B8R0.5 C=C(C)CC(=O)COC 1458a_100000210968_100000748629 [1,1,0,0,0,0|2,0,0]=4 335 B8R0.5 C=COC(=O)CC(=O)C 1458a_100000070787_100000036128 [1,1,0,0,0,0|1,0,1]=4 336 B8R0.5 CC(=O)CC(=O)NCO 1458a_100000070787_100000185155 [1,1,0,0,0,0|2,0,0]=4 337 B8R0.5 CC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000183797 [1,1,0,0,0,0|1,1,0]=4 338 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [1,1,0,0,0,0|2,0,0]=4 339 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [1,1,0,0,0,0|2,0,0]=4 340 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [1,1,0,0,0,0|1,0,0]=3 341 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [1,1,0,0,0,0|1,0,0]=3 342 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [1,1,0,0,0,0|1,0,0]=3 343 B8R0.5 CNCC(=O)NC(=O)C 7a_106832991635_100000183797 [1,1,0,0,0,0|2,0,0]=4 344 B8R0.5 COCC(=O)CC(=O)N 1458a_100000210968_100000187820 [1,1,0,0,0,0|2,0,0]=4 345 B8R0.5 COCC(=O)CC(=O)[O-] 1458a_100000210968_100020667443 [1,1,0,0,0,0|1,0,1]=4 346 B8R0.5 COCC(=O)OC(C)C 34a_100138415774_100011215430 [1,1,0,0,0,0|1,0,1]=4 347 B8R0.5 CSCC(=O)NC(=O)C 62a_200000210301_100000183797 [1,1,0,0,0,0|1,1,0]=4 348 B8R0.23 CC(=O)CC(=O)C(=O)C 1458a_100000070787_100011261029 [1,1,0,0,0,0|2,0,0]=4 349 B8R0.23 CC(=O)CC(=O)C(C)C 1458a_100000070787_100000753385 [1,1,0,0,0,0|2,0,0]=4 350 B8R0.23 CC(=O)CC(=O)N(C)C 1458a_100000070787_100000185267 [1,1,0,0,0,0|2,0,0]=4 351 B8R0.1 C/C=C/CC(=O)COC 1458a_100000210968_100102629194 [1,1,0,0,0,0|2,0,0]=4 352 B8R0.1 C=C(COC)OCOC 34a_100138415774_100000042856 [1,1,0,0,0,0|1,0,1]=4 353 B8R0.1 CC=CCC(=O)COC 1458a_100000210968_100000070051 [1,1,0,0,0,0|2,0,0]=4 354 B8R0.1 CCCC(=O)C=COC 1458a_100016268678_100000210303 [1,1,0,0,0,0|2,0,0]=4 355 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [1,1,0,0,0,0|1,0,1]=4 356 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [1,1,0,0,0,0|1,0,1]=4 357 B8R0.1 CCNC(=O)C=COC 240690a_100015525214_100016268678 [1,1,0,0,0,0|2,0,0]=4 358 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [1,1,0,0,0,0|1,0,1]=4 359 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [1,1,0,0,0,0|0,1,1]=4 360 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [1,1,0,0,0,0|0,1,1]=4 361 B8R0.1 CNNC(=O)C=COC 22a_100016993582_100016268678 [1,1,0,0,0,0|2,0,0]=4 362 B8R0.1 COC=CC(=O)CCF 1458a_100016268678_100011217306 [1,1,0,0,0,0|2,0,0]=4 363 B8R0.1 COC=CC(=O)CCO 1458a_100016268678_100000211926 [1,1,0,0,0,0|2,0,0]=4 364 B8R0.1 COCCC(=O)COC 1458a_100000210968_100000233755 [1,1,0,0,0,0|1,0,1]=4 365 B8R0.3 C=C(COC)C(=O)OC 34a_100138415774_100009813391 [1,1,0,0,0,0|1,0,1]=4 366 B8R0.3 COC(=O)C(C)CO[13CH3] 34a_100000749362_200025704644 [1,1,0,0,0,0|1,0,1]=4 367 B8R0.3 COC(=O)C(C)CO[13CH3] 7a_100000749362_200025704644 [1,1,0,0,0,0|1,0,1]=4 368 B8R0.3 COC(=O)C(F)CO[13CH3] 34a_200009849844_200025704644 [1,1,0,0,0,0|1,0,1]=4 369 B8R0.3 COC(=O)[C@H](N)CO[13CH3] 34a_100000003586_200025704644 [1,1,0,0,0,0|1,0,1]=4 370 B8R0.3 COCC(=O)C(=O)OC 34a_100138415774_100011610305 [1,1,0,0,0,0|1,0,1]=4 371 B8R0.3 COCC(C)C(=O)OC 34a_100000749362_200000210301 [1,1,0,0,0,0|1,0,1]=4 372 B8R0.3 COCC(C)C(=O)OC 34a_100138415774_100000698445 [1,1,0,0,0,0|1,0,1]=4 373 B8R0.3 COCC(C)C(=O)OC 7a_100000749362_200000210301 [1,1,0,0,0,0|1,0,1]=4 374 B8R0.3 COCC(F)C(=O)OC 34a_200009849844_200000210301 [1,1,0,0,0,0|1,0,1]=4 375 B8R0.3 COC[C@@H](N)C(=O)OC 34a_100000003586_200000210301 [1,1,0,0,0,0|1,0,1]=4 376 B8R0.6 CCC(=O)C=CCOC 1458a_100016285016_100000210202 [1,1,0,0,0,0|2,0,0]=4 377 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [1,1,0,0,0,0|1,0,1]=4 378 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [1,1,0,0,0,0|1,0,1]=4 379 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [1,1,0,0,0,0|1,0,1]=4 380 B8R0.6 CCOC=CC(=O)CC 1458a_100016266692_100000210202 [1,1,0,0,0,0|2,0,0]=4 381 B8R0.6 CCOC=CC(=O)NC 11a_106832991635_100016266692 [1,1,0,0,0,0|2,0,0]=4 382 B8R0.6 CCOC=CC(=O)NC 1626a_100102657272_100016266692 [1,1,0,0,0,0|2,0,0]=4 383 B8R0.6 CCOC=CC(=O)NC 240690a_100102657272_100016266692 [1,1,0,0,0,0|2,0,0]=4 384 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [1,1,0,0,0,0|1,0,1]=4 385 B8R0.6 CCSCOC(=O)OC 62a_100000210202_100000139417 [1,1,0,0,0,0|0,1,1]=4 386 B8R0.6 CNC(=O)C=CCOC 11a_106832991635_100016285016 [1,1,0,0,0,0|2,0,0]=4 387 B8R0.6 CNC(=O)C=CCOC 1626a_100102657272_100016285016 [1,1,0,0,0,0|2,0,0]=4 388 B8R0.6 CNC(=O)C=CCOC 240690a_100102657272_100016285016 [1,1,0,0,0,0|2,0,0]=4 389 B8R0.6 CNC(=O)OCCOC 34a_100138415774_200011997002 [1,1,0,0,0,0|1,0,1]=4 390 B8R0.6 CNC/C=C/C(=O)OC 2230a_106832991635_100000742655 [1,1,0,0,0,0|2,0,0]=4 391 B8R0.6 CNC/C=C/C(=O)OC 34a_100102657272_100000742655 [1,1,0,0,0,0|2,0,0]=4 392 B8R0.6 CNC/C=C/C(=O)OC 7a_106832991635_100000742655 [1,1,0,0,0,0|2,0,0]=4 393 B8R0.6 COC(=O)/C=C/CSC 62a_100000742655_200000210301 [1,1,0,0,0,0|1,1,0]=4 394 B8R0.6 COC(=O)/C=C/CSC 62a_200000210301_100000742655 [1,1,0,0,0,0|1,1,0]=4 395 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_100000742655_200025704644 [1,1,0,0,0,0|1,1,0]=4 396 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_200025704644_100000742655 [1,1,0,0,0,0|1,1,0]=4 397 B8R0.6 COC(=O)NCCO[13CH3] 34a_100000757965_200025704644 [1,1,0,0,0,0|1,0,1]=4 398 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [1,1,0,0,0,0|0,0,1]=3 399 B8R0.6 COC(=O)OCSCF 62a_100015361967_100000139417 [1,1,0,0,0,0|0,1,1]=4 400 B8R0.6 COC/C=C/C(=O)OC 34a_100138415774_100000742655 [1,1,0,0,0,0|1,0,0]=3 401 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [1,1,0,0,0,0|1,0,1]=4 402 B8R0.6 COCCNC(=O)OC 34a_100000757965_200000210301 [1,1,0,0,0,0|1,0,1]=4 403 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [1,1,0,0,0,0|0,0,1]=3 404 B8R0.6 COCSCC(=O)OC 62a_100000747449_100000766300 [1,1,0,0,0,0|0,1,1]=4 405 B8R0.6 COCSCC(=O)OC 62a_100000766300_100000747449 [1,1,0,0,0,0|0,1,1]=4 406 B8R0.8 COC=CC(=O)C(C)C 1458a_100016268678_100000210206 [1,1,0,0,0,0|2,0,0]=4 407 B8R0.8 COC=CC(=O)N(C)C 1626a_100102631434_100016268678 [1,1,0,0,0,0|2,0,0]=4 408 B8R0.8 COC=CC(=O)N(C)C 240690a_100102631434_100016268678 [1,1,0,0,0,0|2,0,0]=4 409 B8R0.13 COC(=O)C(C)(C)OC 34a_100011217581_200000210301 [0,1,0,0,1,0|1,0,1]=4 410 B8R0.13 COC(=O)C(C)(C)OC 7a_100011217581_200000210301 [0,1,0,0,1,0|1,0,1]=4 411 B8R0.13 COC(=O)C(C)(C)O[13CH3] 34a_100011217581_200025704644 [0,1,0,0,1,0|1,0,1]=4 412 B8R0.13 COC(=O)C(C)(C)O[13CH3] 7a_100011217581_200025704644 [0,1,0,0,1,0|1,0,1]=4 413 B8R0.13 COC(=O)C(C)(F)OC 34a_100138415774_200009867631 [0,1,0,0,1,0|1,0,1]=4 414 B8R0.13 COC(=O)C(F)(F)OC 34a_100138415774_100000211177 [0,1,0,0,1,0|1,0,1]=4 415 B8R0.20 CCC(OC)C(=O)OC 34a_100000695916_200000210301 [0,1,0,0,1,0|1,0,1]=4 416 B8R0.20 CCC(OC)C(=O)OC 34a_100138415774_100000235869 [0,1,0,0,1,0|1,0,1]=4 417 B8R0.20 CCC(OC)C(=O)OC 7a_100000695916_200000210301 [0,1,0,0,1,0|1,0,1]=4 418 B8R0.20 CCC(O[13CH3])C(=O)OC 34a_100000695916_200025704644 [0,1,0,0,1,0|1,0,1]=4 419 B8R0.20 CCC(O[13CH3])C(=O)OC 7a_100000695916_200025704644 [0,1,0,0,1,0|1,0,1]=4 420 B8R0.20 CNC(C=O)C(=O)OC 34a_100102657272_100000046368 [0,1,0,0,1,0|1,0,1]=4 421 B8R0.20 CNC(OC)C(=O)OC 34a_100102657272_100000101307 [0,1,0,0,1,0|1,0,1]=4 422 B8R0.20 COC(=O)C(C=O)OC 34a_100138415774_100000046368 [0,1,0,0,1,0|0,0,1]=3 423 B8R0.20 COC(=O)C(C=O)SC 62a_100000046368_200000210301 [0,1,0,0,1,0|0,1,1]=4 424 B8R0.20 COC(=O)C(C=O)SC 62a_200000210301_100000046368 [0,1,0,0,1,0|0,1,1]=4 425 B8R0.20 COC(=O)C(C=O)S[13CH3] 62a_100000046368_200025704644 [0,1,0,0,1,0|0,1,1]=4 426 B8R0.20 COC(=O)C(C=O)S[13CH3] 62a_200025704644_100000046368 [0,1,0,0,1,0|0,1,1]=4 427 B8R0.20 COC(=O)C(CN)OC 34a_100000695228_200000210301 [0,1,0,0,1,0|1,0,1]=4 428 B8R0.20 COC(=O)C(CN)O[13CH3] 34a_100000695228_200025704644 [0,1,0,0,1,0|1,0,1]=4 429 B8R0.20 COC(=O)C(CO)OC 34a_100138415774_100012276630 [0,1,0,0,1,0|0,0,2]=4 430 B8R0.20 COC(=O)C(OC)OC 34a_100000036821_200000210301 [0,1,0,0,1,0|0,0,2]=4 431 B8R0.20 COC(=O)C(OC)OC 34a_100138415774_100000101307 [0,1,0,0,1,0|0,0,2]=4 432 B8R0.20 COC(=O)C(OC)O[13CH3] 34a_100000036821_200025704644 [0,1,0,0,1,0|0,0,2]=4 433 B8R0.20 COC(=O)C(OC)SC 62a_100000101307_200000210301 [0,1,0,0,1,0|0,1,1]=4 434 B8R0.20 COC(=O)C(OC)SC 62a_200000210301_100000101307 [0,1,0,0,1,0|0,1,1]=4 435 B8R0.20 COC(=O)C(OC)S[13CH3] 62a_100000101307_200025704644 [0,1,0,0,1,0|0,1,1]=4 436 B8R0.20 COC(=O)C(OC)S[13CH3] 62a_200025704644_100000101307 [0,1,0,0,1,0|0,1,1]=4 437 B10R0.46 C=C(CC(=O)OC)C(=O)NC 1626a_100102657272_100000040833 [0,1,0,0,0,1|2,0,0]=4 438 B10R0.46 CCC(=O)C(C)CC(=O)OC 1458a_100000037256_100000210202 [0,1,0,0,0,1|2,0,0]=4 439 B10R0.46 CCC(=O)N(C)CC(=O)OC 11a_100000198492_100000210414 [0,1,0,0,0,1|2,0,0]=4 440 B10R0.46 CCC(=O)N(C)CC(=O)OC 1626a_100000198492_100000210414 [0,1,0,0,0,1|2,0,0]=4 441 B10R0.46 CCC(=O)N(C)CC(=O)OC 240690a_100000198492_100000210414 [0,1,0,0,0,1|2,0,0]=4 442 B10R0.46 CCC(=O)N(C)CC(=O)OC 527a_100000198492_100000210414 [0,1,0,0,0,1|2,0,0]=4 443 B10R0.46 CCC(=O)N[C@H](C)C(=O)OC 188690a_100000687819_100000210414 [0,1,0,0,0,1|2,0,0]=4 444 B10R0.46 CNC(=O)C(=O)CC(=O)OC 1458a_100011218921_100000747449 [0,1,0,0,0,1|2,0,0]=4 445 B10R0.46 CNC(=O)C(C)CC(=O)OC 1626a_100102657272_100000037256 [0,1,0,0,0,1|2,0,0]=4 446 B10R0.46 CNC(=O)C(C)CC(=O)OC 240690a_100102657272_100000037256 [0,1,0,0,0,1|2,0,0]=4 447 B10R0.46 CNC(=O)C(C)CC(=O)OC 527a_100102657272_100000037256 [0,1,0,0,0,1|2,0,0]=4 448 B10R0.82 C=C(C)C(=O)NCC(=O)OC 188690a_100000185156_100000185857 [0,1,0,0,0,1|2,0,0]=4 449 B10R0.82 CCC(=O)COC(=O)C(C)C 1458a_100000210414_100000139345 [0,1,0,0,0,1|2,0,0]=4 450 B10R0.82 COC(=O)C=CC(=O)N(C)C 1626a_100102631434_100016283253 [0,1,0,0,0,1|2,0,0]=4 451 B10R0.82 COC(=O)CCC(=O)C(C)C 1458a_100000187943_100000210206 [0,1,0,0,0,1|2,0,0]=4 452 B10R0.82 COC(=O)CCC(=O)N(C)C 11a_100102631434_100000187943 [0,1,0,0,0,1|2,0,0]=4 453 B10R0.82 COC(=O)CCC(=O)N(C)C 1626a_100102631434_100000187943 [0,1,0,0,0,1|2,0,0]=4 454 B10R0.82 COC(=O)CCC(=O)N(C)C 240690a_100102631434_100000187943 [0,1,0,0,0,1|2,0,0]=4 455 B10R0.82 COC(=O)CCC(=O)N(C)C 527a_100102631434_100000187943 [0,1,0,0,0,1|2,0,0]=4 456 B10R0.82 COC(=O)CNC(=O)C(C)C 188690a_100000185156_100000210198 [0,1,0,0,0,1|2,0,0]=4 457 B10R0.82 COC(=O)CNC(=O)C(C)F 188690a_100000185156_100000062450 [0,1,0,0,0,1|2,0,0]=4 458 B10R0.82 COC(=O)CNC(=O)[C@@H](C)O 188690a_100000185156_100000717761 [0,1,0,0,0,1|2,0,0]=4 459 B10R0.82 COC(=O)CNC(=O)[C@H](C)O 188690a_100000185156_217856618621 [0,1,0,0,0,1|2,0,0]=4 460 B10R0.82 COC(=O)NCC(=O)C(C)C 1458a_100000215747_100000210206 [0,1,0,0,0,1|2,0,0]=4 461 B10R0.82 COC(=O)NCC(=O)N(C)C 11a_100102631434_100000215747 [0,1,0,0,0,1|2,0,0]=4 462 B10R0.82 COC(=O)NCC(=O)N(C)C 1626a_100102631434_100000215747 [0,1,0,0,0,1|2,0,0]=4 463 B10R0.82 COC(=O)NCC(=O)N(C)C 240690a_100102631434_100000215747 [0,1,0,0,0,1|2,0,0]=4 464 B10R0.82 COC(=O)NCC(=O)N(C)C 527a_100102631434_100000215747 [0,1,0,0,0,1|2,0,0]=4 465 B10R0.108 CC=CC(=O)NCC(=O)OC 188690a_100000185156_100000210699 [0,1,0,0,0,1|2,0,0]=4 466 B10R0.108 CCC(=O)NNC(=O)COC 22a_100000183195_100000210968 [0,1,0,0,0,1|2,0,0]=4 467 B10R0.108 CCC(=O)NNC(=O)COC 22a_100000216845_100000210414 [0,1,0,0,0,1|2,0,0]=4 468 B10R0.108 CCCC(=O)CCC(=O)OC 1458a_100000187943_100000210303 [0,1,0,0,0,1|2,0,0]=4 469 B10R0.108 CCCC(=O)CNC(=O)OC 1458a_100000215747_100000210303 [0,1,0,0,0,1|2,0,0]=4 470 B10R0.108 CCCC(=O)NCC(=O)OC 188690a_100000185156_100000211992 [0,1,0,0,0,1|2,0,0]=4 471 B10R0.108 CCCC(=O)OCC(=O)CC 1458a_100000210414_100000034017 [0,1,0,0,0,1|2,0,0]=4 472 B10R0.108 CCNC(=O)CCC(=O)OC 11a_100015525214_100000187943 [0,1,0,0,0,1|2,0,0]=4 473 B10R0.108 CCNC(=O)CCC(=O)OC 240690a_100015525214_100000187943 [0,1,0,0,0,1|2,0,0]=4 474 B10R0.108 CCNC(=O)CCC(=O)OC 527a_100015525214_100000187943 [0,1,0,0,0,1|2,0,0]=4 475 B10R0.108 CCNC(=O)CNC(=O)OC 11a_100015525214_100000215747 [0,1,0,0,0,1|2,0,0]=4 476 B10R0.108 CCNC(=O)CNC(=O)OC 240690a_100015525214_100000215747 [0,1,0,0,0,1|2,0,0]=4 477 B10R0.108 CCNC(=O)CNC(=O)OC 527a_100015525214_100000215747 [0,1,0,0,0,1|2,0,0]=4 478 B10R0.108 CCOC(=O)C=CC(=O)CC 1458a_100000210415_100000210202 [0,1,0,0,0,1|2,0,0]=4 479 B10R0.108 CCOC(=O)C=CC(=O)NC 1626a_100102657272_100000210415 [0,1,0,0,0,1|2,0,0]=4 480 B10R0.108 CCOC(=O)C=CC(=O)NC 240690a_100102657272_100000210415 [0,1,0,0,0,1|2,0,0]=4 481 B10R0.108 CCOC(=O)CCC(=O)CC 1458a_100000183558_100000210202 [0,1,0,0,0,1|2,0,0]=4 482 B10R0.108 CCOC(=O)CCC(=O)NC 11a_106832991635_100000183558 [0,1,0,0,0,1|2,0,0]=4 483 B10R0.108 CCOC(=O)CCC(=O)NC 1626a_100102657272_100000183558 [0,1,0,0,0,1|2,0,0]=4 484 B10R0.108 CCOC(=O)CCC(=O)NC 240690a_100102657272_100000183558 [0,1,0,0,0,1|2,0,0]=4 485 B10R0.108 CCOC(=O)CNC(=O)CC 188690a_100000741813_100000210414 [0,1,0,0,0,1|2,0,0]=4 486 B10R0.108 CCOC(=O)NCC(=O)CC 1458a_100000190774_100000210202 [0,1,0,0,0,1|2,0,0]=4 487 B10R0.108 CCOC(=O)NCC(=O)NC 11a_106832991635_100000190774 [0,1,0,0,0,1|2,0,0]=4 488 B10R0.108 CCOC(=O)NCC(=O)NC 1626a_100102657272_100000190774 [0,1,0,0,0,1|2,0,0]=4 489 B10R0.108 CCOC(=O)NCC(=O)NC 240690a_100102657272_100000190774 [0,1,0,0,0,1|2,0,0]=4 490 B10R0.108 CCOC(=O)NCC(=O)NC 527a_100102657272_100000190774 [0,1,0,0,0,1|2,0,0]=4 491 B10R0.108 CNC(=O)CNC(=O)COC 11a_100000693194_100000210968 [0,1,0,0,0,1|2,0,0]=4 492 B10R0.108 CNC(=O)CNC(=O)COC 240690a_100000693194_100000210968 [0,1,0,0,0,1|2,0,0]=4 493 B10R0.108 CNC(=O)CNC(=O)COC 527a_100000693194_100000210968 [0,1,0,0,0,1|2,0,0]=4 494 B10R0.108 CNC(=O)NNC(=O)COC 273464a_100102657272_100000216845 [0,1,0,0,0,1|2,0,0]=4 495 B10R0.108 CNCC(=O)CCC(=O)OC 2230a_106832991635_100000691467 [0,1,0,0,0,1|2,0,0]=4 496 B10R0.108 CNCC(=O)CCC(=O)OC 34a_100102657272_100000691467 [0,1,0,0,0,1|2,0,0]=4 497 B10R0.108 CNCC(=O)CCC(=O)OC 7a_106832991635_100000691467 [0,1,0,0,0,1|2,0,0]=4 498 B10R0.108 CNCC(=O)NCC(=O)OC 2230a_106832991635_100000182966 [0,1,0,0,0,1|2,0,0]=4 499 B10R0.108 CNCC(=O)NCC(=O)OC 34a_100102657272_100000182966 [0,1,0,0,0,1|2,0,0]=4 500 B10R0.108 CNCC(=O)NCC(=O)OC 7a_106832991635_100000182966 [0,1,0,0,0,1|2,0,0]=4 501 B10R0.108 CNNC(=O)C=CC(=O)OC 22a_100016993582_100016283253 [0,1,0,0,0,1|2,0,0]=4 502 B10R0.108 CNNC(=O)CNC(=O)OC 22a_100016993582_100000215747 [0,1,0,0,0,1|2,0,0]=4 503 B10R0.108 COC(=O)CCC(=O)CCF 1458a_100000187943_100011217306 [0,1,0,0,0,1|2,0,0]=4 504 B10R0.108 COC(=O)CCC(=O)CCO 1458a_100000187943_100000211926 [0,1,0,0,0,1|2,0,0]=4 505 B10R0.108 COC(=O)CCC(=O)CSC 62a_100000691467_200000210301 [0,1,0,0,0,1|1,1,0]=4 506 B10R0.108 COC(=O)CCC(=O)CSC 62a_200000210301_100000691467 [0,1,0,0,0,1|1,1,0]=4 507 B10R0.108 COC(=O)CCC(=O)CS[13CH3] 62a_100000691467_200025704644 [0,1,0,0,0,1|1,1,0]=4 508 B10R0.108 COC(=O)CCC(=O)CS[13CH3] 62a_200025704644_100000691467 [0,1,0,0,0,1|1,1,0]=4 509 B10R0.108 COC(=O)CNC(=O)CSC 188690a_100000185156_100000184570 [0,1,0,0,0,1|1,1,0]=4 510 B10R0.108 COC(=O)CNC(=O)CSC 62a_100000182966_200000210301 [0,1,0,0,0,1|1,1,0]=4 511 B10R0.108 COC(=O)CNC(=O)CSC 62a_200000210301_100000182966 [0,1,0,0,0,1|1,1,0]=4 512 B10R0.108 COC(=O)CNC(=O)CS[13CH3] 62a_100000182966_200025704644 [0,1,0,0,0,1|1,1,0]=4 513 B10R0.108 COC(=O)CNC(=O)CS[13CH3] 62a_200025704644_100000182966 [0,1,0,0,0,1|1,1,0]=4 514 B10R0.108 COC(=O)NCC(=O)CCF 1458a_100000215747_100011217306 [0,1,0,0,0,1|2,0,0]=4 515 B10R0.108 COC(=O)NCC(=O)CCO 1458a_100000215747_100000211926 [0,1,0,0,0,1|2,0,0]=4 516 B10R0.108 COCC(=O)CCC(=O)OC 34a_100138415774_100000691467 [0,1,0,0,0,1|1,0,0]=3 517 B10R0.108 COCC(=O)NCC(=O)OC 188690a_100000185156_100000210968 [0,1,0,0,0,1|1,0,0]=3 518 B10R0.108 COCC(=O)NCC(=O)OC 34a_100138415774_100000182966 [0,1,0,0,0,1|1,0,0]=3 519 B10R0.108 COC[C@@H](C)OCC(=O)OC 34a_100011934205_100000747449 [0,1,0,0,0,1|1,0,1]=4 520 B10R0.29 CNC/C(=C\C(=O)OC)/OC 2230a_106832991635_100016998490 [0,2,0,0,0,0|2,0,0]=4 521 B10R0.29 CNC/C(=C\C(=O)OC)/OC 34a_100102657272_100016998490 [0,2,0,0,0,0|2,0,0]=4 522 B10R0.29 COC(=O)/C=C(\CSC)/OC 62a_100016998490_200000210301 [0,2,0,0,0,0|1,1,0]=4 523 B10R0.29 COC(=O)/C=C(\CSC)/OC 62a_200000210301_100016998490 [0,2,0,0,0,0|1,1,0]=4 524 B10R0.29 COC(=O)/C=C(\CS[13CH3])/OC 62a_100016998490_200025704644 [0,2,0,0,0,0|1,1,0]=4 525 B10R0.29 COC(=O)/C=C(\CS[13CH3])/OC 62a_200025704644_100016998490 [0,2,0,0,0,0|1,1,0]=4 526 B10R0.29 COC/C(=C\C(=O)OC)/OC 34a_100138415774_100016998490 [0,2,0,0,0,0|1,0,1]=4 527 B10R0.35 CC#CC(=O)C(C)C(=O)OC 1458a_100000763181_100000211248 [0,2,0,0,0,0|2,0,0]=4 528 B10R0.35 CC=CC(=O)C(C)C(=O)OC 1458a_100000210699_100000211248 [0,2,0,0,0,0|2,0,0]=4 529 B10R0.35 CCC(=O)C(C)C(=O)COC 1458a_100000210968_100000742827 [0,2,0,0,0,0|2,0,0]=4 530 B10R0.35 CCCC(=O)C(C)C(=O)OC 1458a_100000211992_100000211248 [0,2,0,0,0,0|2,0,0]=4 531 B10R0.35 CCCC(=O)C(C)C(=O)OC 1458a_100012027023_100000210303 [0,2,0,0,0,0|2,0,0]=4 532 B10R0.35 CCNC(=O)C(C)C(=O)OC 11a_100015525214_100012027023 [0,2,0,0,0,0|2,0,0]=4 533 B10R0.35 CCNC(=O)C(C)C(=O)OC 240690a_100015525214_100012027023 [0,2,0,0,0,0|2,0,0]=4 534 B10R0.35 CCNC(=O)C(C)C(=O)OC 527a_100015525214_100012027023 [0,2,0,0,0,0|2,0,0]=4 535 B10R0.35 CCOC(=O)C(C)C(=O)CC 1458a_100000210414_100011216346 [0,2,0,0,0,0|2,0,0]=4 536 B10R0.35 CCOC(=O)C(C)C(=O)CC 1458a_100132301724_100000210202 [0,2,0,0,0,0|2,0,0]=4 537 B10R0.35 CCOC(=O)C(C)C(=O)NC 11a_106832991635_100132301724 [0,2,0,0,0,0|2,0,0]=4 538 B10R0.35 CCOC(=O)C(C)C(=O)NC 1626a_100102657272_100132301724 [0,2,0,0,0,0|2,0,0]=4 539 B10R0.35 CCOC(=O)C(C)C(=O)NC 240690a_100102657272_100132301724 [0,2,0,0,0,0|2,0,0]=4 540 B10R0.35 CCOC(=O)C(C)C(=O)NC 527a_100102657272_100132301724 [0,2,0,0,0,0|2,0,0]=4 541 B10R0.35 CCOC(=O)C(F)C(=O)CC 1458a_100000210414_100000760018 [0,2,0,0,0,0|2,0,0]=4 542 B10R0.35 CNC(=O)C(C)C(=O)COC 1458a_100000210968_100000209862 [0,2,0,0,0,0|2,0,0]=4 543 B10R0.35 CNC(=O)C(F)C(=O)COC 1458a_100000210968_100009813575 [0,2,0,0,0,0|2,0,0]=4 544 B10R0.35 CNNC(=O)C(C)C(=O)OC 22a_100016993582_100012027023 [0,2,0,0,0,0|2,0,0]=4 545 B10R0.35 COC(=O)C(C)C(=O)CCF 1458a_100012027023_100011217306 [0,2,0,0,0,0|2,0,0]=4 546 B10R0.35 COC(=O)C(C)C(=O)CCO 1458a_100011216618_100000211248 [0,2,0,0,0,0|2,0,0]=4 547 B10R0.35 COC(=O)C(C)C(=O)CCO 1458a_100012027023_100000211926 [0,2,0,0,0,0|2,0,0]=4 548 B10R0.35 COC(=O)C(C)C(=O)CSC 1458a_100000184570_100000211248 [0,2,0,0,0,0|1,1,0]=4 549 B10R0.35 COCC(=O)C(C)C(=O)OC 1458a_100000210968_100000211248 [0,2,0,0,0,0|1,0,0]=3 550 B10R0.51 CCC(=O)C(CC)C(=O)OC 1458a_100000210414_100000235869 [0,2,0,0,0,0|2,0,0]=4 551 B10R0.51 CCC(=O)C(CO)C(=O)OC 1458a_100000210414_100012276630 [0,2,0,0,0,0|2,0,0]=4 552 B10R0.51 CCC(=O)C(NC)C(=O)OC 7a_106832991635_100000056495 [0,2,0,0,0,0|2,0,0]=4 553 B10R0.51 CCC(=O)C(SC)C(=O)OC 62a_100000056495_200000210301 [0,2,0,0,0,0|2,0,0]=4 554 B10R0.51 CCC(=O)C(SC)C(=O)OC 62a_200000210301_100000056495 [0,2,0,0,0,0|2,0,0]=4 555 B10R0.51 CCC(=O)C(S[13CH3])C(=O)OC 62a_100000056495_200025704644 [0,2,0,0,0,0|2,0,0]=4 556 B10R0.51 CCC(=O)C(S[13CH3])C(=O)OC 62a_200025704644_100000056495 [0,2,0,0,0,0|2,0,0]=4 557 B10R0.51 CNC(C(=O)OC)C(=O)OC 34a_100102657272_100000037946 [0,2,0,0,0,0|1,0,0]=3 558 B10R0.51 COC(=O)C(OC)C(=O)OC 34a_100138415774_100000037946 [0,2,0,0,0,0|1,0,0]=3 559 B10R0.51 COC(=O)C(SC)C(=O)OC 62a_100000037946_200000210301 [0,2,0,0,0,0|1,0,0]=3 560 B10R0.51 COC(=O)C(SC)C(=O)OC 62a_200000210301_100000037946 [0,2,0,0,0,0|1,0,0]=3 561 B10R0.51 COC(=O)C(S[13CH3])C(=O)OC 62a_100000037946_200025704644 [0,2,0,0,0,0|1,0,0]=3 562 B10R0.51 COC(=O)C(S[13CH3])C(=O)OC 62a_200025704644_100000037946 [0,2,0,0,0,0|1,0,0]=3 563 B10R0.56 C=C(C)C(=O)C(C)C(=O)OC 1458a_100000185857_100000211248 [0,2,0,0,0,0|2,0,0]=4 564 B10R0.56 COC(=O)C(C)C(=O)C(C)C 1458a_100000210198_100000211248 [0,2,0,0,0,0|2,0,0]=4 565 B10R0.56 COC(=O)C(C)C(=O)C(C)C 1458a_100012027023_100000210206 [0,2,0,0,0,0|2,0,0]=4 566 B10R0.56 COC(=O)C(C)C(=O)C(C)F 1458a_100000062450_100000211248 [0,2,0,0,0,0|2,0,0]=4 567 B10R0.56 COC(=O)C(C)C(=O)N(C)C 11a_100102631434_100012027023 [0,2,0,0,0,0|2,0,0]=4 568 B10R0.56 COC(=O)C(C)C(=O)N(C)C 1626a_100102631434_100012027023 [0,2,0,0,0,0|2,0,0]=4 569 B10R0.56 COC(=O)C(C)C(=O)N(C)C 240690a_100102631434_100012027023 [0,2,0,0,0,0|2,0,0]=4 570 B10R0.56 COC(=O)C(C)C(=O)N(C)C 527a_100102631434_100012027023 [0,2,0,0,0,0|2,0,0]=4 571 B10R0.56 COC(=O)C(C)C(=O)[C@@H](C)O 1458a_100000717761_100000211248 [0,2,0,0,0,0|2,0,0]=4 572 B10R0.56 COC(=O)C(C)C(=O)[C@H](C)O 1458a_217856618621_100000211248 [0,2,0,0,0,0|2,0,0]=4 573 B10R0.142 CCC(=O)C(C)(C)C(=O)OC 1458a_100012000394_100000210202 [0,2,0,0,0,0|2,0,0]=4 574 B10R0.142 CNC(=O)C(C)(C)C(=O)OC 11a_106832991635_100012000394 [0,2,0,0,0,0|2,0,0]=4 575 B10R0.142 CNC(=O)C(C)(C)C(=O)OC 1626a_100102657272_100012000394 [0,2,0,0,0,0|2,0,0]=4 576 B10R0.142 CNC(=O)C(C)(C)C(=O)OC 240690a_100102657272_100012000394 [0,2,0,0,0,0|2,0,0]=4 577 B10R0.142 CNC(=O)C(C)(C)C(=O)OC 527a_100102657272_100012000394 [0,2,0,0,0,0|2,0,0]=4 578 B10R0.2 C=COC(=O)CC(=O)COC 1458a_100000210968_100000036128 [0,2,0,0,0,0|1,0,1]=4 579 B10R0.2 CC#CC(=O)CC(=O)OCC 1458a_100000763181_100000188475 [0,2,0,0,0,0|2,0,0]=4 580 B10R0.2 CC=CC(=O)CC(=O)OCC 1458a_100000210699_100000188475 [0,2,0,0,0,0|2,0,0]=4 581 B10R0.2 CCCC(=O)CC(=O)COC 1458a_100000210968_100000747444 [0,2,0,0,0,0|2,0,0]=4 582 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000211992_100000188475 [0,2,0,0,0,0|2,0,0]=4 583 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000243816_100000210303 [0,2,0,0,0,0|2,0,0]=4 584 B10R0.2 CCNC(=O)CC(=O)COC 1458a_100000210968_100000183381 [0,2,0,0,0,0|2,0,0]=4 585 B10R0.2 CCNC(=O)CC(=O)OCC 240690a_100015525214_100000243816 [0,2,0,0,0,0|2,0,0]=4 586 B10R0.2 CCOC(=O)C=C(C)COC 34a_100138415774_100135422193 [0,2,0,0,0,0|2,0,0]=4 587 B10R0.2 CCOC(=O)CC(=O)CCF 1458a_100000243816_100011217306 [0,2,0,0,0,0|2,0,0]=4 588 B10R0.2 CCOC(=O)CC(=O)CCO 1458a_100000243816_100000211926 [0,2,0,0,0,0|2,0,0]=4 589 B10R0.2 CCOC(=O)CC(=O)CCO 1458a_100011216618_100000188475 [0,2,0,0,0,0|2,0,0]=4 590 B10R0.2 CCOC(=O)CC(=O)COC 1458a_100000210968_100000188475 [0,2,0,0,0,0|1,0,0]=3 591 B10R0.2 CCOC(=O)CC(=O)CSC 1458a_100000184570_100000188475 [0,2,0,0,0,0|1,1,0]=4 592 B10R0.2 CCOC(=O)CC(=O)CSC 62a_100000210311_200000210301 [0,2,0,0,0,0|1,1,0]=4 593 B10R0.2 CCOC(=O)CC(=O)CSC 62a_200000210301_100000210311 [0,2,0,0,0,0|1,1,0]=4 594 B10R0.2 CCOC(=O)CC(=O)CS[13CH3] 62a_100000210311_200025704644 [0,2,0,0,0,0|1,1,0]=4 595 B10R0.2 CCOC(=O)CC(=O)CS[13CH3] 62a_200025704644_100000210311 [0,2,0,0,0,0|1,1,0]=4 596 B10R0.2 CCOC(=O)CC(=O)NNC 22a_100016993582_100000243816 [0,2,0,0,0,0|2,0,0]=4 597 B10R0.2 CCOC(=O)NC(=O)CNC 7a_106832991635_100000010344 [0,2,0,0,0,0|2,0,0]=4 598 B10R0.2 CCOC(=O)NC(=O)CSC 62a_200000210301_100000010344 [0,2,0,0,0,0|1,1,0]=4 599 B10R0.2 CCOC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000010344 [0,2,0,0,0,0|1,1,0]=4 600 B10R0.2 COCC(=O)CC(=O)NCO 1458a_100000210968_100000185155 [0,2,0,0,0,0|2,0,0]=4 601 B10R0.18 C#CCCC(=O)CC(=O)OC 1458a_100000211351_100000753159 [0,2,0,0,0,0|2,0,0]=4 602 B10R0.18 C#CCCC(=O)CC(=O)OC 1458a_100000692101_100000747449 [0,2,0,0,0,0|2,0,0]=4 603 B10R0.18 C#CCNC(=O)CC(=O)OC 240690a_100000212058_100000211351 [0,2,0,0,0,0|2,0,0]=4 604 B10R0.18 C/C=C/CC(=O)CC(=O)OC 1458a_100000211351_100102629194 [0,2,0,0,0,0|2,0,0]=4 605 B10R0.18 C=CCCC(=O)CC(=O)OC 1458a_100000211351_100000754431 [0,2,0,0,0,0|2,0,0]=4 606 B10R0.18 C=CCCC(=O)CC(=O)OC 1458a_100000749702_100000747449 [0,2,0,0,0,0|2,0,0]=4 607 B10R0.18 C=CCNC(=O)CC(=O)OC 240690a_100020586998_100000211351 [0,2,0,0,0,0|2,0,0]=4 608 B10R0.18 C=CCOC(=O)CC(=O)CC 1458a_100000210414_100000033060 [0,2,0,0,0,0|2,0,0]=4 609 B10R0.18 CC#CCC(=O)CC(=O)OC 1458a_100000211351_100000748600 [0,2,0,0,0,0|2,0,0]=4 610 B10R0.18 CC=CCC(=O)CC(=O)OC 1458a_100000211351_100000070051 [0,2,0,0,0,0|2,0,0]=4 611 B10R0.18 CC=CCC(=O)CC(=O)OC 1458a_100121576822_100000747449 [0,2,0,0,0,0|2,0,0]=4 612 B10R0.18 CCC#CC(=O)CC(=O)OC 1458a_100011827653_100000747449 [0,2,0,0,0,0|2,0,0]=4 613 B10R0.18 CCC(=O)CC(=O)C=COC 1458a_100016268678_100000747405 [0,2,0,0,0,0|2,0,0]=4 614 B10R0.18 CCC(=O)CC(=O)CCOC 1458a_100000749529_100000747405 [0,2,0,0,0,0|2,0,0]=4 615 B10R0.18 CCC=CC(=O)CC(=O)OC 1458a_100000212282_100000747449 [0,2,0,0,0,0|2,0,0]=4 616 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000210183_100000747449 [0,2,0,0,0,0|2,0,0]=4 617 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000211351_100000210211 [0,2,0,0,0,0|2,0,0]=4 618 B10R0.18 CCCNC(=O)CC(=O)OC 240690a_100020643023_100000211351 [0,2,0,0,0,0|2,0,0]=4 619 B10R0.18 CCCOC(=O)CC(=O)CC 1458a_100000210414_200011215008 [0,2,0,0,0,0|2,0,0]=4 620 B10R0.18 CCNNC(=O)CC(=O)OC 22a_100000756455_100000211351 [0,2,0,0,0,0|2,0,0]=4 621 B10R0.18 CCOCC(=O)CC(=O)CC 1458a_100000211967_100000747405 [0,2,0,0,0,0|2,0,0]=4 622 B10R0.18 CCOCC(=O)CC(=O)NC 1458a_100000211967_100000183359 [0,2,0,0,0,0|2,0,0]=4 623 B10R0.18 CCOCC(=O)CC(=O)OC 1458a_100000211967_100000747449 [0,2,0,0,0,0|1,0,0]=3 624 B10R0.18 CCSCC(=O)CC(=O)OC 1458a_100000230394_100000747449 [0,2,0,0,0,0|1,1,0]=4 625 B10R0.18 CCSCC(=O)CC(=O)OC 62a_100000210202_100000210525 [0,2,0,0,0,0|1,1,0]=4 626 B10R0.18 CCSCC(=O)CC(=O)OC 62a_100000210525_100000210202 [0,2,0,0,0,0|1,1,0]=4 627 B10R0.18 CCSCC(=O)NC(=O)OC 62a_100000210202_100000010850 [0,2,0,0,0,0|1,1,0]=4 628 B10R0.18 CNC(=O)CC(=O)C=COC 1458a_100016268678_100000183359 [0,2,0,0,0,0|2,0,0]=4 629 B10R0.18 CNC(=O)CC(=O)CCOC 1458a_100000749529_100000183359 [0,2,0,0,0,0|2,0,0]=4 630 B10R0.18 COC(=O)CC(=O)C#CCO 1458a_100000049017_100000747449 [0,2,0,0,0,0|2,0,0]=4 631 B10R0.18 COC(=O)CC(=O)CCC#N 1458a_100000211351_100011215226 [0,2,0,0,0,0|2,0,0]=4 632 B10R0.18 COC(=O)CC(=O)CCC#N 1458a_100011934036_100000747449 [0,2,0,0,0,0|2,0,0]=4 633 B10R0.18 COC(=O)CC(=O)CCCF 1458a_100000211351_100011934791 [0,2,0,0,0,0|2,0,0]=4 634 B10R0.18 COC(=O)CC(=O)CCCO 1458a_100000211351_100011215043 [0,2,0,0,0,0|2,0,0]=4 635 B10R0.18 COC(=O)CC(=O)CCSC 1458a_100000174002_100000747449 [0,2,0,0,0,0|1,1,0]=4 636 B10R0.18 COC(=O)CC(=O)CCSC 1458a_100000211351_100000751147 [0,2,0,0,0,0|1,1,0]=4 637 B10R0.18 COC(=O)CC(=O)CSCF 62a_100000210525_100015361967 [0,2,0,0,0,0|1,1,0]=4 638 B10R0.18 COC(=O)CC(=O)CSCF 62a_100015361967_100000210525 [0,2,0,0,0,0|1,1,0]=4 639 B10R0.18 COC(=O)CC(=O)NCCF 240690a_100000724931_100000211351 [0,2,0,0,0,0|2,0,0]=4 640 B10R0.18 COC(=O)CC(=O)NCCO 240690a_100000210304_100000211351 [0,2,0,0,0,0|2,0,0]=4 641 B10R0.18 COC(=O)NC(=O)CSCF 62a_100015361967_100000010850 [0,2,0,0,0,0|1,1,0]=4 642 B10R0.18 COC=CC(=O)CC(=O)OC 1458a_100016268678_100000747449 [0,2,0,0,0,0|1,0,0]=3 643 B10R0.18 COCCC(=O)CC(=O)OC 1458a_100000211351_100000233755 [0,2,0,0,0,0|1,0,0]=3 644 B10R0.18 COCCC(=O)CC(=O)OC 1458a_100000749529_100000747449 [0,2,0,0,0,0|1,0,0]=3 645 B10R0.26 C=C(C)C(=O)CC(=O)OCC 1458a_100000185857_100000188475 [0,2,0,0,0,0|2,0,0]=4 646 B10R0.26 CCOC(=O)CC(=O)C(C)C 1458a_100000210198_100000188475 [0,2,0,0,0,0|2,0,0]=4 647 B10R0.26 CCOC(=O)CC(=O)C(C)C 1458a_100000243816_100000210206 [0,2,0,0,0,0|2,0,0]=4 648 B10R0.26 CCOC(=O)CC(=O)C(C)F 1458a_100000062450_100000188475 [0,2,0,0,0,0|2,0,0]=4 649 B10R0.26 CCOC(=O)CC(=O)N(C)C 240690a_100102631434_100000243816 [0,2,0,0,0,0|2,0,0]=4 650 B10R0.26 CCOC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000188475 [0,2,0,0,0,0|2,0,0]=4 651 B10R0.26 CCOC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000188475 [0,2,0,0,0,0|2,0,0]=4 652 B10R0.26 COCC(=O)CC(=O)C(=O)C 1458a_100000210968_100011261029 [0,2,0,0,0,0|2,0,0]=4 653 B10R0.26 COCC(=O)CC(=O)C(C)C 1458a_100000210968_100000753385 [0,2,0,0,0,0|2,0,0]=4 654 B10R0.26 COCC(=O)CC(=O)N(C)C 1458a_100000210968_100000185267 [0,2,0,0,0,0|2,0,0]=4 655 B10R0.44 C=C(C)CC(=O)CC(=O)OC 1458a_100000211351_100000748629 [0,2,0,0,0,0|2,0,0]=4 656 B10R0.44 CCC(=O)CC(=O)OC(C)C 1458a_100000210414_100011215430 [0,2,0,0,0,0|2,0,0]=4 657 B10R0.44 COC(=O)CC(=O)C=C(C)C 1458a_100000211388_100000747449 [0,2,0,0,0,0|2,0,0]=4 658 B10R0.44 COC(=O)CC(=O)C=C(C)Cl 1458a_200042562850_100000747449 [0,2,0,0,0,0|2,0,0]=4 659 B10R0.44 COC(=O)CC(=O)C=C(C)I 1458a_100025716642_100000747449 [0,2,0,0,0,0|2,0,0]=4 660 B10R0.44 COC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747449 [0,2,0,0,0,0|2,0,0]=4 661 B10R0.44 COC(=O)CC(=O)CC(C)C 1458a_100000211351_100000210624 [0,2,0,0,0,0|2,0,0]=4 662 B10R0.44 COC(=O)CC(=O)CC(C)O 1458a_100000211351_100011218427 [0,2,0,0,0,0|2,0,0]=4 663 B10R0.44 COC(=O)CC(=O)CC(F)F 1458a_100000211351_100011934356 [0,2,0,0,0,0|2,0,0]=4 664 B10R0.44 COC(=O)CC(=O)CN(C)C 1458a_100000750896_100000747449 [0,2,0,0,0,0|2,0,0]=4 665 B10R0.44 COC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000747449 [0,2,0,0,0,0|2,0,0]=4 666 B10R0.44 COC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000747449 [0,2,0,0,0,0|1,1,0]=4 667 B10R0.44 COC(=O)CC(=O)NC(C)C 240690a_100138425928_100000211351 [0,2,0,0,0,0|2,0,0]=4 668 B10R0.44 COC(=O)NC(=O)CC(=O)C 1458a_100000070787_100000010850 [0,2,0,0,0,0|2,0,0]=4 669 B10R0.44 COC(=O)NC(=O)CN(C)C 269982a_100102631434_100000010850 [0,2,0,0,0,0|2,0,0]=4 670 B10R0.52 COC(=O)CC(=O)C(C)(C)C 1458a_106744555173_100000747449 [0,2,0,0,0,0|2,0,0]=4 671 B10R0.52 COC(=O)CC(=O)C(C)(C)F 1458a_100000765255_100000747449 [0,2,0,0,0,0|2,0,0]=4 672 B10R0.52 COC(=O)CC(=O)C(C)(C)O 1458a_100000242741_100000747449 [0,2,0,0,0,0|2,0,0]=4 673 B8R1.1 COC1COC(=O)O1 34a_100138415774_100000032252 [1,0,0,1,0,0|1,0,1]=4 674 B8R1.31 CC(=O)C1CCC1=O 1458a_100000070787_100009892977 [1,0,0,1,0,0|2,0,0]=4 675 B8R1.11 COC1CCOC1=O 34a_100138415774_100000211211 [0,0,0,1,1,0|1,0,1]=4 676 B10R1.14 CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210202 [0,0,0,1,0,1|2,0,0]=4 677 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 11a_106832991635_100009814974 [0,0,0,1,0,1|2,0,0]=4 678 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 1626a_100102657272_100009814974 [0,0,0,1,0,1|2,0,0]=4 679 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 240690a_100102657272_100009814974 [0,0,0,1,0,1|2,0,0]=4 680 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 527a_100102657272_100009814974 [0,0,0,1,0,1|2,0,0]=4 681 B10R1.149 CCC(=O)C1CCOC1=O 1458a_100000210414_100000211211 [0,1,0,1,0,0|2,0,0]=4 682 B10R1.8 COc1cc(oc(=O)c1)C 34a_100000210952_200000210301 [0,1,0,1,0,0|2,0,0]=4 683 B10R1.8 COc1cc(oc(=O)c1)C 7a_100000210952_200000210301 [0,1,0,1,0,0|2,0,0]=4 684 B10R1.8 Cc1cc(cc(=O)o1)O[13CH3] 34a_100000210952_200025704644 [0,1,0,1,0,0|2,0,0]=4 685 B10R1.8 Cc1cc(cc(=O)o1)O[13CH3] 7a_100000210952_200025704644 [0,1,0,1,0,0|2,0,0]=4 686 B10R1.134 CCC(=O)CC(=O)C1CO1 1458a_100000701028_100000747405 [0,1,0,1,0,0|2,0,0]=4 687 B10R1.134 CNC(=O)CC(=O)C1CO1 1458a_100000701028_100000183359 [0,1,0,1,0,0|2,0,0]=4 688 B10R1.134 COC(=O)CC(=O)C1CC1 1458a_100000210395_100000747449 [0,1,0,1,0,0|2,0,0]=4 689 B10R1.134 COC(=O)CC(=O)C1CO1 1458a_100000701028_100000747449 [0,1,0,1,0,0|1,0,0]=3 690 B10R1.139 COCC(=O)C1CCC1=O 1458a_100000210968_100009892977 [0,1,0,1,0,0|2,0,0]=4 691 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [1,0,0,0,1,0|2,0,0]=4 692 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [1,0,0,0,1,0|2,0,0]=4 693 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [1,0,0,0,1,0|2,0,0]=4 694 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [1,0,0,0,1,0|2,0,0]=4 695 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [1,0,0,0,1,0|2,0,0]=4 696 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [1,0,0,0,1,0|1,0,1]=4 697 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [1,0,0,0,1,0|1,0,0]=3 698 B6R0.3 CNC(=O)C(=O)N 240690a_100102657272_100011215815 [1,0,0,0,1,0|2,0,0]=4 699 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [1,0,0,0,1,0|1,0,0]=3 700 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [1,0,0,0,1,0|1,0,1]=4 701 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [1,0,0,0,1,0|1,0,1]=4 702 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [1,0,0,0,1,0|1,0,1]=4 703 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000210414_100011218270 [0,0,0,0,0,2|2,0,0]=4 704 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000239890_100000210202 [0,0,0,0,0,2|2,0,0]=4 705 B10R0.59 CCC(=O)CCOC(=O)NC 1458a_100000210414_200011997002 [0,0,0,0,0,2|2,0,0]=4 706 B10R0.59 CCC(=O)COCC(=O)NC 34a_100000725409_100000183359 [0,0,0,0,0,2|2,0,0]=4 707 B10R0.59 CCC(=O)COCC(=O)OC 34a_100000725409_100000747449 [0,0,0,0,0,2|1,0,0]=3 708 B10R0.59 CCC(=O)CSCC(=O)OC 1458a_100000191316_100000210202 [0,0,0,0,0,2|1,1,0]=4 709 B10R0.59 CCC(=O)CSCC(=O)OC 62a_100000747405_100000747449 [0,0,0,0,0,2|1,1,0]=4 710 B10R0.59 CCC(=O)CSCC(=O)OC 62a_100000747449_100000747405 [0,0,0,0,0,2|1,1,0]=4 711 B10R0.59 CCC(=O)NCCC(=O)OC 188690a_100000683876_100000210414 [0,0,0,0,0,2|2,0,0]=4 712 B10R0.59 CCC(=O)NN=CC(=O)OC 4a_100000183195_200011823558 [0,0,0,0,0,2|2,0,0]=4 713 B10R0.59 CNC(=O)CCCC(=O)OC 11a_106832991635_100000239890 [0,0,0,0,0,2|2,0,0]=4 714 B10R0.59 CNC(=O)CCCC(=O)OC 1626a_100102657272_100000239890 [0,0,0,0,0,2|2,0,0]=4 715 B10R0.59 CNC(=O)CCCC(=O)OC 240690a_100102657272_100000239890 [0,0,0,0,0,2|2,0,0]=4 716 B10R0.59 CNC(=O)CCCC(=O)OC 527a_100102657272_100000239890 [0,0,0,0,0,2|2,0,0]=4 717 B10R0.59 CNC(=O)CNCC(=O)OC 2230a_100000693194_100000747449 [0,0,0,0,0,2|2,0,0]=4 718 B10R0.59 CNC(=O)COCC(=O)NC 34a_100000750040_100000183359 [0,0,0,0,0,2|2,0,0]=4 719 B10R0.59 CNC(=O)COCC(=O)OC 34a_100000750040_100000747449 [0,0,0,0,0,2|1,0,0]=3 720 B10R0.59 CNC(=O)CSCC(=O)OC 11a_106832991635_100000191316 [0,0,0,0,0,2|1,1,0]=4 721 B10R0.59 CNC(=O)CSCC(=O)OC 1626a_100102657272_100000191316 [0,0,0,0,0,2|1,1,0]=4 722 B10R0.59 CNC(=O)CSCC(=O)OC 240690a_100102657272_100000191316 [0,0,0,0,0,2|1,1,0]=4 723 B10R0.59 CNC(=O)CSCC(=O)OC 62a_100000183359_100000747449 [0,0,0,0,0,2|1,1,0]=4 724 B10R0.59 CNC(=O)CSCC(=O)OC 62a_100000747449_100000183359 [0,0,0,0,0,2|1,1,0]=4 725 B10R0.59 COC(=O)COCC(C)OC 34a_100000690652_100000747449 [0,0,0,0,0,2|1,0,1]=4 726 B10R0.59 COC(=O)CSCC(=O)OC 62a_100000747449_100000747449 [0,0,0,0,0,2|0,1,0]=3 727 B10R0.59 COC(=O)OCSC(C)OC 62a_100009879195_100000139417 [0,0,0,0,0,2|1,0,1]=4