0 B9R0.1 C#CC(=O)CCC=C(C)C 1458a_100000211873_100011217483 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.1 C#CC(C)NCC=C(C)C 2230a_100000707721_100000761012 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.1 C#CC(C)NCC=C(C)C 34a_100000707721_100000761012 [0,0,0,0,0,0|2,0,1]=3 3 B9R0.1 C#CC(C)NCC=C(C)C 34a_100000718196_200000035995 [0,0,0,0,0,0|2,0,1]=3 4 B9R0.1 C#CC(C)OCC=C(C)C 34a_100000753907_200000035995 [0,0,0,0,0,0|2,0,1]=3 5 B9R0.1 C#CC(C)SCC=C(C)C 62a_200000035995_100000761012 [0,0,0,0,0,0|2,0,1]=3 6 B9R0.1 C#C[C@@H](C)OCC=C(C)C 34a_100009815206_100000761012 [0,0,0,0,0,0|2,0,1]=3 7 B9R0.1 C#C[C@@H](C)OCC=C(C)C 7a_100009815206_100000761012 [0,0,0,0,0,0|2,0,1]=3 8 B9R0.1 C=CC(=O)CCC=C(C)C 1458a_100000185746_100011217483 [0,0,0,0,0,0|2,0,1]=3 9 B9R0.1 C=CC(=O)NCC=C(C)C 1626a_100000718196_100000185746 [0,0,0,0,0,0|3,0,1]=4 10 B9R0.1 C=CC(C)COCC(=C)C 34a_100011215527_100000748629 [0,0,0,0,0,0|2,0,2]=4 11 B9R0.1 C=CC(C)COCC(=C)C 7a_100011215527_100000748629 [0,0,0,0,0,0|2,0,2]=4 12 B9R0.1 C=CC(C)COCC(C)C 34a_100011215527_100000210624 [0,0,0,0,0,0|2,0,2]=4 13 B9R0.1 C=CC(C)COCC(C)C 7a_100011215527_100000210760 [0,0,0,0,0,0|2,0,2]=4 14 B9R0.1 C=CC(C)OCC=C(C)C 34a_100000695699_100000761012 [0,0,0,0,0,0|2,0,0]=2 15 B9R0.1 C=CC(C)OCCC(=C)C 34a_100000695699_100000730704 [0,0,0,0,0,0|2,0,2]=4 16 B9R0.1 C=CC(C)OCCC(C)C 34a_100000695699_100000210312 [0,0,0,0,0,0|2,0,2]=4 17 B9R0.1 C=CC(C)OCOC(=O)C 34a_100000695699_100009813279 [0,0,0,0,0,0|4,0,0]=4 18 B9R0.1 C=CC(C)OCOC(C)C 34a_100000695699_100000709892 [0,0,0,0,0,0|3,0,1]=4 19 B9R0.1 C=CC(C)SCC=C(C)C 62a_100011215867_100000761012 [0,0,0,0,0,0|2,0,0]=2 20 B9R0.1 C=CC(C)SCCC(=C)C 62a_100011215867_100000730704 [0,0,0,0,0,0|2,0,2]=4 21 B9R0.1 C=CC(C)SCCC(=O)C 62a_100011215867_100000053229 [0,0,0,0,0,0|3,0,1]=4 22 B9R0.1 C=CC(C)SCCC(C)C 62a_100011215867_100000210312 [0,0,0,0,0,0|2,0,2]=4 23 B9R0.1 C=CC(C)SCCN(C)C 62a_100011215867_100000755713 [0,0,0,0,0,0|3,0,1]=4 24 B9R0.1 C=CC(C)SCOC(=O)C 62a_100011215867_100000076356 [0,0,0,0,0,0|4,0,0]=4 25 B9R0.1 C=CC(C)SCOC(C)C 62a_100011215867_100000709892 [0,0,0,0,0,0|3,0,1]=4 26 B9R0.1 CC(=CCCC(=O)CO)C 1458a_100000210174_100011217483 [0,0,0,0,0,0|1,0,3]=4 27 B9R0.1 CC(=CCCC(C)O[13CH3])C 34a_100102619829_200025704644 [0,0,0,0,0,0|2,0,0]=2 28 B9R0.1 CC(=CCCC(C)O[13CH3])C 7a_100102619829_200025704644 [0,0,0,0,0,0|2,0,0]=2 29 B9R0.1 CC(=CCNC(C)C#N)C 2230a_100000737613_100000761012 [0,0,0,0,0,0|2,0,1]=3 30 B9R0.1 CC(=CCNC(C)CO)C 34a_100000718196_100012180447 [0,0,0,0,0,0|1,0,2]=3 31 B9R0.1 CC(=CCN[C@H](C)CO)C 2230a_100000737577_100000761012 [0,0,0,0,0,0|1,0,2]=3 32 B9R0.1 CC(=CCOC(C)C#N)C 34a_100011218135_100000761012 [0,0,0,0,0,0|2,0,1]=3 33 B9R0.1 CC(=CCOC(C)CF)C 34a_100016041109_100000761012 [0,0,0,0,0,0|2,0,1]=3 34 B9R0.1 CC(=CCOC(C)CF)C 7a_100016041109_100000761012 [0,0,0,0,0,0|2,0,1]=3 35 B9R0.1 CC(=CCOC(C)CN)C 34a_100000210904_100000761012 [0,0,0,0,0,0|2,0,1]=3 36 B9R0.1 CC(=CCOC(C)CO)C 34a_100000753907_100012180447 [0,0,0,0,0,0|1,0,2]=3 37 B9R0.1 CC(=CCSC(C)C#N)C 62a_100000703298_100000761012 [0,0,0,0,0,0|2,0,1]=3 38 B9R0.1 CC(=CCSC(C)C#N)C 62a_100000761012_100000703298 [0,0,0,0,0,0|2,0,1]=3 39 B9R0.1 CC(=CCSC(C)CO)C 62a_100012180447_100000761012 [0,0,0,0,0,0|1,0,2]=3 40 B9R0.1 CC(=CCSC(F)C#N)C 62a_100000761012_200000117898 [0,0,0,0,0,0|3,0,1]=4 41 B9R0.1 CC(=CCSC(F)C#N)C 62a_200000117898_100000761012 [0,0,0,0,0,0|3,0,1]=4 42 B9R0.1 CC(=CCS[C@H](C)CO)C 62a_100000761012_100016084084 [0,0,0,0,0,0|1,0,2]=3 43 B9R0.1 CC(=CCS[C@H](C)CO)C 62a_100016084084_100000761012 [0,0,0,0,0,0|1,0,2]=3 44 B9R0.1 CC(=O)CCCN(C)N=O 1458a_200000076914_200000210301 [0,0,0,0,0,0|3,0,1]=4 45 B9R0.1 CC(=O)NCCC(C)CO 240690a_106354213184_100015343762 [0,0,0,0,0,0|2,0,2]=4 46 B9R0.1 CC(=O)NCCC(C)CO 527a_106354213184_100103153847 [0,0,0,0,0,0|2,0,2]=4 47 B9R0.1 CC(C)CCCC(C)N[13CH3] 2230a_100000210607_200025704644 [0,0,0,0,0,0|2,0,2]=4 48 B9R0.1 CC(C)CCCC(C)O[13CH3] 34a_200011218570_200025704644 [0,0,0,0,0,0|2,0,2]=4 49 B9R0.1 CC(C)CCCC(C)O[13CH3] 7a_200011218570_200025704644 [0,0,0,0,0,0|2,0,2]=4 50 B9R0.1 CC(CO)CCNC(C)C 2230a_106354213184_100000210206 [0,0,0,0,0,0|1,0,3]=4 51 B9R0.1 CC(CO)CCNC(C)C 34a_106354213184_100000210206 [0,0,0,0,0,0|1,0,3]=4 52 B9R0.1 CCC(=O)CCC=C(C)C 1458a_100000210414_100011217483 [0,0,0,0,0,0|2,0,2]=4 53 B9R0.1 CCC(C)CCNC(=O)C 11a_100020591266_100015343762 [0,0,0,0,0,0|3,0,1]=4 54 B9R0.1 CCC(C)CCNC(=O)C 1626a_100020591266_100015343762 [0,0,0,0,0,0|3,0,1]=4 55 B9R0.1 CCC(C)CCNC(=O)C 240690a_100020591266_100015343762 [0,0,0,0,0,0|3,0,1]=4 56 B9R0.1 CCC(C)CCNC(=O)C 527a_100020591266_100103153847 [0,0,0,0,0,0|3,0,1]=4 57 B9R0.1 CCC(C)CCNC(C)C 2230a_100020591266_100000210206 [0,0,0,0,0,0|2,0,2]=4 58 B9R0.1 CCC(C)CCOC(C)C 7a_100011215188_100000210206 [0,0,0,0,0,0|2,0,2]=4 59 B9R0.1 CCC(C)NCC=C(C)C 2230a_100000209981_100000761012 [0,0,0,0,0,0|2,0,1]=3 60 B9R0.1 CCC(C)NCC=C(C)C 34a_100000718196_100011215416 [0,0,0,0,0,0|2,0,1]=3 61 B9R0.1 CCC(C)OCC=C(C)C 34a_100000753907_100011215416 [0,0,0,0,0,0|2,0,1]=3 62 B9R0.1 CCC(C)OCC=C(C)C 7a_100000210228_100000761012 [0,0,0,0,0,0|2,0,1]=3 63 B9R0.1 CCC(C)SCC=C(C)C 62a_100000758301_100000761012 [0,0,0,0,0,0|2,0,1]=3 64 B9R0.1 CCC(C)SCC=C(C)C 62a_100000761012_100000758301 [0,0,0,0,0,0|2,0,1]=3 65 B9R0.1 CCN(C)CCC=C(C)C 2230a_100000225621_100011217483 [0,0,0,0,0,0|2,0,1]=3 66 B9R0.1 CCN(C)CCC=C(C)C 269982a_100000225621_100011217483 [0,0,0,0,0,0|2,0,1]=3 67 B9R0.1 CN(CCCC(=O)[13CH3])N=O 1458a_200000076914_200025704644 [0,0,0,0,0,0|3,0,1]=4 68 B9R0.1 CNC(C)CCC=C(C)C 270004a_106832991635_100000765506 [0,0,0,0,0,0|2,0,0]=2 69 B9R0.1 CNC(C)CCCC(C)C 2230a_100000210607_200000210301 [0,0,0,0,0,0|2,0,2]=4 70 B9R0.1 CNC(C)CCCC(C)C 270004a_106832991635_100000753411 [0,0,0,0,0,0|2,0,2]=4 71 B9R0.1 CNC(C)CCOC(C)C 270004a_106832991635_200011219172 [0,0,0,0,0,0|3,0,1]=4 72 B9R0.1 COC(C)CCC=C(C)C 34a_100102619829_200000210301 [0,0,0,0,0,0|2,0,0]=2 73 B9R0.1 COC(C)CCC=C(C)C 7a_100102619829_200000210301 [0,0,0,0,0,0|2,0,0]=2 74 B9R0.1 COC(C)CCCC(C)C 34a_200011218570_200000210301 [0,0,0,0,0,0|2,0,2]=4 75 B9R0.1 COC(C)CCCC(C)C 7a_200011218570_200000210301 [0,0,0,0,0,0|2,0,2]=4 76 B9R0.1 COC(C)CCOC(C)C 7a_100000764861_100000210206 [0,0,0,0,0,0|3,0,1]=4 77 B9R0.1 COC(C)SCC=C(C)C 62a_100000761012_100009879195 [0,0,0,0,0,0|3,0,0]=3 78 B9R0.1 COC(C)SCC=C(C)C 62a_100009879195_100000761012 [0,0,0,0,0,0|3,0,0]=3 79 B8R0.6 C#CC(C)NC/C=C/C 34a_100000707721_100102629194 [1,0,0,0,0,0|2,0,1]=4 80 B8R0.6 C#CC(C)NCC=CC 2230a_100000707721_100000070051 [1,0,0,0,0,0|2,0,1]=4 81 B8R0.6 C#CC(C)NCC=CC 34a_100000707721_100000070051 [1,0,0,0,0,0|2,0,1]=4 82 B8R0.6 C#CC(C)OC/C=C/C 34a_100016270725_200000035995 [1,0,0,0,0,0|2,0,1]=4 83 B8R0.6 C#CC(C)SC/C=C/C 62a_200000035995_100102629194 [1,0,0,0,0,0|2,0,1]=4 84 B8R0.6 C#CC(C)SCC=CC 62a_200000035995_100000070051 [1,0,0,0,0,0|2,0,1]=4 85 B8R0.6 C#C[C@@H](C)OC/C=C/C 34a_100009815206_100102629194 [1,0,0,0,0,0|2,0,1]=4 86 B8R0.6 C#C[C@@H](C)OC/C=C/C 7a_100009815206_100102629194 [1,0,0,0,0,0|2,0,1]=4 87 B8R0.6 C#C[C@@H](C)OCC=CC 34a_100009815206_100000070051 [1,0,0,0,0,0|2,0,1]=4 88 B8R0.6 C#C[C@@H](C)OCC=CC 7a_100009815206_100000070051 [1,0,0,0,0,0|2,0,1]=4 89 B8R0.6 C/C=C/COC(C)C#N 34a_100011218135_100102629194 [1,0,0,0,0,0|2,0,1]=4 90 B8R0.6 C/C=C/COC(C)CC 34a_100016270725_100011215416 [1,0,0,0,0,0|2,0,1]=4 91 B8R0.6 C/C=C/COC(C)CC 7a_100000210228_100102629194 [1,0,0,0,0,0|2,0,1]=4 92 B8R0.6 C/C=C/COC(C)CF 34a_100016041109_100102629194 [1,0,0,0,0,0|2,0,1]=4 93 B8R0.6 C/C=C/COC(C)CF 7a_100016041109_100102629194 [1,0,0,0,0,0|2,0,1]=4 94 B8R0.6 C/C=C/COC(C)CN 34a_100000210904_100102629194 [1,0,0,0,0,0|2,0,1]=4 95 B8R0.6 C/C=C/COC(C)CO 34a_100016270725_100012180447 [1,0,0,0,0,0|1,0,2]=4 96 B8R0.6 C/C=C/CSC(C)C#N 62a_100000703298_100102629194 [1,0,0,0,0,0|2,0,1]=4 97 B8R0.6 C/C=C/CSC(C)C#N 62a_100102629194_100000703298 [1,0,0,0,0,0|2,0,1]=4 98 B8R0.6 C/C=C/CSC(C)CC 62a_100000758301_100102629194 [1,0,0,0,0,0|2,0,1]=4 99 B8R0.6 C/C=C/CSC(C)CC 62a_100102629194_100000758301 [1,0,0,0,0,0|2,0,1]=4 100 B8R0.6 C/C=C/CSC(C)CO 62a_100012180447_100102629194 [1,0,0,0,0,0|1,0,2]=4 101 B8R0.6 C/C=C/CSC(C)OC 62a_100009879195_100102629194 [1,0,0,0,0,0|3,0,0]=4 102 B8R0.6 C/C=C/CSC(C)OC 62a_100102629194_100009879195 [1,0,0,0,0,0|3,0,0]=4 103 B8R0.6 C/C=C/CS[C@H](C)CO 62a_100016084084_100102629194 [1,0,0,0,0,0|1,0,2]=4 104 B8R0.6 C/C=C/CS[C@H](C)CO 62a_100102629194_100016084084 [1,0,0,0,0,0|1,0,2]=4 105 B8R0.6 C=CC(C)OC/C=C/C 34a_100000695699_100102629194 [1,0,0,0,0,0|2,0,0]=3 106 B8R0.6 C=CC(C)OCC=CC 34a_100000695699_100000070051 [1,0,0,0,0,0|2,0,0]=3 107 B8R0.6 C=CC(C)SC/C=C/C 62a_100011215867_100102629194 [1,0,0,0,0,0|2,0,0]=3 108 B8R0.6 C=CC(C)SCC=CC 62a_100011215867_100000070051 [1,0,0,0,0,0|2,0,0]=3 109 B8R0.6 CC=CCNC(C)C#N 2230a_100000737613_100000070051 [1,0,0,0,0,0|2,0,1]=4 110 B8R0.6 CC=CCNC(C)CC 2230a_100000209981_100000070051 [1,0,0,0,0,0|2,0,1]=4 111 B8R0.6 CC=CCN[C@H](C)CO 2230a_100000737577_100000070051 [1,0,0,0,0,0|1,0,2]=4 112 B8R0.6 CC=CCOC(C)C#N 34a_100011218135_100000070051 [1,0,0,0,0,0|2,0,1]=4 113 B8R0.6 CC=CCOC(C)CC 7a_100000210228_100000070051 [1,0,0,0,0,0|2,0,1]=4 114 B8R0.6 CC=CCOC(C)CF 34a_100016041109_100000070051 [1,0,0,0,0,0|2,0,1]=4 115 B8R0.6 CC=CCOC(C)CF 7a_100016041109_100000070051 [1,0,0,0,0,0|2,0,1]=4 116 B8R0.6 CC=CCOC(C)CN 34a_100000210904_100000070051 [1,0,0,0,0,0|2,0,1]=4 117 B8R0.6 CC=CCSC(C)C#N 62a_100000070051_100000703298 [1,0,0,0,0,0|2,0,1]=4 118 B8R0.6 CC=CCSC(C)C#N 62a_100000703298_100000070051 [1,0,0,0,0,0|2,0,1]=4 119 B8R0.6 CC=CCSC(C)CC 62a_100000070051_100000758301 [1,0,0,0,0,0|2,0,1]=4 120 B8R0.6 CC=CCSC(C)CC 62a_100000758301_100000070051 [1,0,0,0,0,0|2,0,1]=4 121 B8R0.6 CC=CCSC(C)CO 62a_100012180447_100000070051 [1,0,0,0,0,0|1,0,2]=4 122 B8R0.6 CC=CCSC(C)OC 62a_100000070051_100009879195 [1,0,0,0,0,0|3,0,0]=4 123 B8R0.6 CC=CCSC(C)OC 62a_100009879195_100000070051 [1,0,0,0,0,0|3,0,0]=4 124 B8R0.6 CC=CCS[C@H](C)CO 62a_100000070051_100016084084 [1,0,0,0,0,0|1,0,2]=4 125 B8R0.6 CC=CCS[C@H](C)CO 62a_100016084084_100000070051 [1,0,0,0,0,0|1,0,2]=4 126 B8R0.7 C#CCNCC=C(C)C 34a_100000212058_100000761012 [1,0,0,0,0,0|2,0,1]=4 127 B8R0.7 C#CCNCC=C(C)C 34a_100000718196_100000184674 [1,0,0,0,0,0|2,0,1]=4 128 B8R0.7 C#CCOCC=C(C)C 34a_100000210247_100000761012 [1,0,0,0,0,0|2,0,1]=4 129 B8R0.7 C#CCOCC=C(C)C 34a_100000753907_100000184674 [1,0,0,0,0,0|2,0,1]=4 130 B8R0.7 C#CCSCC=C(C)C 62a_100000038162_100000761012 [1,0,0,0,0,0|2,0,1]=4 131 B8R0.7 C=C(C)CCOCC=O 34a_100000764851_200009817547 [1,0,0,0,0,0|1,0,2]=4 132 B8R0.7 C=C(C)CCSCC=O 62a_100000730704_200015260668 [1,0,0,0,0,0|1,0,2]=4 133 B8R0.7 C=C(C)CCSCC=O 62a_200015260668_100000730704 [1,0,0,0,0,0|1,0,2]=4 134 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [1,0,0,0,0,0|2,0,1]=4 135 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [1,0,0,0,0,0|2,0,1]=4 136 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [1,0,0,0,0,0|2,0,1]=4 137 B8R0.7 C=CCCCCN(C)C 2230a_100012000471_200000210301 [1,0,0,0,0,0|2,0,1]=4 138 B8R0.7 C=CCCCCN(C)C 2230a_100102631434_100011215482 [1,0,0,0,0,0|2,0,1]=4 139 B8R0.7 C=CCCCCN(C)C 269982a_100012000471_200000210301 [1,0,0,0,0,0|2,0,1]=4 140 B8R0.7 C=CCCCCN(C)C 269982a_100102631434_100011215482 [1,0,0,0,0,0|2,0,1]=4 141 B8R0.7 C=CCCCCN(C)[13CH3] 2230a_100012000471_200025704644 [1,0,0,0,0,0|2,0,1]=4 142 B8R0.7 C=CCCCCN(C)[13CH3] 269982a_100012000471_200025704644 [1,0,0,0,0,0|2,0,1]=4 143 B8R0.7 C=CCCCNC(=O)C 11a_100000700776_100015343762 [1,0,0,0,0,0|3,0,0]=4 144 B8R0.7 C=CCCCNC(=O)C 1626a_100000700776_100015343762 [1,0,0,0,0,0|3,0,0]=4 145 B8R0.7 C=CCCCNC(=O)C 240690a_100000700776_100015343762 [1,0,0,0,0,0|3,0,0]=4 146 B8R0.7 C=CCCCNC(=O)C 527a_100000700776_100103153847 [1,0,0,0,0,0|3,0,0]=4 147 B8R0.7 C=CCCCNC(C)C 2230a_100000700776_100000210206 [1,0,0,0,0,0|2,0,1]=4 148 B8R0.7 C=CCCCNC(C)C 2230a_100138425928_100011713584 [1,0,0,0,0,0|2,0,1]=4 149 B8R0.7 C=CCCCNC(C)C 34a_100000700776_100000210206 [1,0,0,0,0,0|2,0,1]=4 150 B8R0.7 C=CCCCNC(C)C 34a_100138425928_100000757094 [1,0,0,0,0,0|2,0,1]=4 151 B8R0.7 C=CCCCOC(C)C 34a_100000212225_100000757094 [1,0,0,0,0,0|2,0,1]=4 152 B8R0.7 C=CCCCOC(C)C 34a_100000758997_100000210206 [1,0,0,0,0,0|2,0,1]=4 153 B8R0.7 C=CCCCOC(C)C 7a_100000758997_100000210206 [1,0,0,0,0,0|2,0,1]=4 154 B8R0.7 C=CCCCSC(C)C 62a_100000210206_100000757094 [1,0,0,0,0,0|2,0,1]=4 155 B8R0.7 C=CCCCSC(C)C 62a_100011713584_100000210206 [1,0,0,0,0,0|2,0,1]=4 156 B8R0.7 C=CCNCC=C(C)C 2230a_100020586998_100000761012 [1,0,0,0,0,0|2,0,0]=3 157 B8R0.7 C=CCNCC=C(C)C 34a_100000718196_100015514636 [1,0,0,0,0,0|2,0,0]=3 158 B8R0.7 C=CCOCC=C(C)C 34a_100000753907_100015514636 [1,0,0,0,0,0|2,0,0]=3 159 B8R0.7 C=CCOCC=C(C)C 34a_200000210373_100000761012 [1,0,0,0,0,0|2,0,0]=3 160 B8R0.7 C=CCSCC=C(C)C 62a_100000210623_100000761012 [1,0,0,0,0,0|2,0,0]=3 161 B8R0.7 C=CCSCC=C(C)C 62a_100000761012_100000210623 [1,0,0,0,0,0|2,0,0]=3 162 B8R0.7 CC(=CCCSCF)C 62a_100011217483_100015361967 [1,0,0,0,0,0|2,0,1]=4 163 B8R0.7 CC(=CCCSCF)C 62a_100015361967_100011217483 [1,0,0,0,0,0|2,0,1]=4 164 B8R0.7 CC(=CCNCC=O)C 34a_100000718196_200009817547 [1,0,0,0,0,0|1,0,0]=2 165 B8R0.7 CC(=CCNCCF)C 34a_100000718196_100011217306 [1,0,0,0,0,0|2,0,1]=4 166 B8R0.7 CC(=CCNCCF)C 34a_100000724931_100000761012 [1,0,0,0,0,0|2,0,1]=4 167 B8R0.7 CC(=CCNCCO)C 2230a_100016997473_100000761012 [1,0,0,0,0,0|1,0,2]=4 168 B8R0.7 CC(=CCNCCO)C 34a_100000718196_100000211926 [1,0,0,0,0,0|1,0,2]=4 169 B8R0.7 CC(=CCNCCO)C 34a_100016990907_100000761012 [1,0,0,0,0,0|1,0,2]=4 170 B8R0.7 CC(=CCOCC=O)C 34a_100000753907_200009817547 [1,0,0,0,0,0|1,0,0]=2 171 B8R0.7 CC(=CCOCCBr)C 34a_100000211926_100000761012 [1,0,0,0,0,0|2,0,1]=4 172 B8R0.7 CC(=CCOCCF)C 34a_100000753907_100011217306 [1,0,0,0,0,0|2,0,1]=4 173 B8R0.7 CC(=CCOCCN)C 34a_100000210304_100000761012 [1,0,0,0,0,0|2,0,1]=4 174 B8R0.7 CC(=CCOCCO)C 34a_100000753907_100000211926 [1,0,0,0,0,0|1,0,2]=4 175 B8R0.7 CC(=CCSCC#N)C 62a_100000761012_100011215382 [1,0,0,0,0,0|2,0,1]=4 176 B8R0.7 CC(=CCSCC#N)C 62a_100011215382_100000761012 [1,0,0,0,0,0|2,0,1]=4 177 B8R0.7 CC(=CCSCC=O)C 62a_100000761012_200015260668 [1,0,0,0,0,0|1,0,0]=2 178 B8R0.7 CC(=CCSCC=O)C 62a_200015260668_100000761012 [1,0,0,0,0,0|1,0,0]=2 179 B8R0.7 CC(=CCSCCF)C 62a_100000761012_100011217306 [1,0,0,0,0,0|2,0,1]=4 180 B8R0.7 CC(=CCSCCF)C 62a_100011217306_100000761012 [1,0,0,0,0,0|2,0,1]=4 181 B8R0.7 CC(=CCSCCO)C 62a_100000211926_100000761012 [1,0,0,0,0,0|1,0,2]=4 182 B8R0.7 CC(=CCSCCO)C 62a_100000761012_100000211926 [1,0,0,0,0,0|1,0,2]=4 183 B8R0.7 CC(=O)CCOCC=O 34a_100000759926_200009817547 [1,0,0,0,0,0|2,0,1]=4 184 B8R0.7 CC(=O)CCOCC=O 7a_100000759926_200015260668 [1,0,0,0,0,0|2,0,1]=4 185 B8R0.7 CC(=O)CCSCC=O 62a_100000053229_200015260668 [1,0,0,0,0,0|2,0,1]=4 186 B8R0.7 CC(=O)CCSCC=O 62a_200015260668_100000053229 [1,0,0,0,0,0|2,0,1]=4 187 B8R0.7 CC(=O)OCSCC=O 62a_100000076356_200015260668 [1,0,0,0,0,0|3,0,0]=4 188 B8R0.7 CC(=O)OCSCC=O 62a_200015260668_100000076356 [1,0,0,0,0,0|3,0,0]=4 189 B8R0.7 CC(C)CCOCC=O 34a_100000210254_200009817547 [1,0,0,0,0,0|1,0,2]=4 190 B8R0.7 CC(C)CCOCC=O 7a_100000210254_200015260668 [1,0,0,0,0,0|1,0,2]=4 191 B8R0.7 CC(C)CCSCC=O 62a_100000210312_200015260668 [1,0,0,0,0,0|1,0,2]=4 192 B8R0.7 CC(C)CCSCC=O 62a_200015260668_100000210312 [1,0,0,0,0,0|1,0,2]=4 193 B8R0.7 CC(C)NCCCC=O 2230a_100138425928_200011292268 [1,0,0,0,0,0|1,0,1]=3 194 B8R0.7 CC(C)OCSCC=O 62a_100000709892_200015260668 [1,0,0,0,0,0|2,0,1]=4 195 B8R0.7 CC(C)OCSCC=O 62a_200015260668_100000709892 [1,0,0,0,0,0|2,0,1]=4 196 B8R0.7 CC(C)SCCCC=O 62a_100000210206_200011292268 [1,0,0,0,0,0|1,0,1]=3 197 B8R0.7 CC(C)SCCCC=O 62a_200011292268_100000210206 [1,0,0,0,0,0|1,0,1]=3 198 B8R0.7 CCCNCC=C(C)C 34a_100000718196_100000210303 [1,0,0,0,0,0|2,0,1]=4 199 B8R0.7 CCCOCC=C(C)C 34a_100000210258_100000761012 [1,0,0,0,0,0|2,0,1]=4 200 B8R0.7 CCCOCC=C(C)C 34a_100000753907_100000210303 [1,0,0,0,0,0|2,0,1]=4 201 B8R0.7 CCCSCC=C(C)C 62a_100000210303_100000761012 [1,0,0,0,0,0|2,0,1]=4 202 B8R0.7 CCCSCC=C(C)C 62a_100000761012_100000210303 [1,0,0,0,0,0|2,0,1]=4 203 B8R0.7 CCNCCC=C(C)C 2230a_100015525214_100011217483 [1,0,0,0,0,0|2,0,1]=4 204 B8R0.7 CCOCCC=C(C)C 34a_100121572206_100011217483 [1,0,0,0,0,0|2,0,1]=4 205 B8R0.7 CCSCCC=C(C)C 62a_100000210202_100011217483 [1,0,0,0,0,0|2,0,1]=4 206 B8R0.7 CCSCCC=C(C)C 62a_100011217483_100000210202 [1,0,0,0,0,0|2,0,1]=4 207 B8R0.7 CN(C)CCCCC=O 2230a_100102631434_100000139335 [1,0,0,0,0,0|1,0,1]=3 208 B8R0.7 CN(C)CCCCC=O 269982a_100102631434_100000139335 [1,0,0,0,0,0|1,0,1]=3 209 B8R0.7 CN(C)CCSCC=O 62a_200015260668_100000755713 [1,0,0,0,0,0|2,0,1]=4 210 B8R0.7 COCSCC=C(C)C 62a_100000761012_100000766300 [1,0,0,0,0,0|3,0,0]=4 211 B8R0.7 COCSCC=C(C)C 62a_100000766300_100000761012 [1,0,0,0,0,0|3,0,0]=4 212 B8R0.7 CSCNCC=C(C)C 34a_100000718196_100011218213 [1,0,0,0,0,0|3,0,0]=4 213 B8R0.7 CSCOCC=C(C)C 34a_100000753907_100011218213 [1,0,0,0,0,0|3,0,0]=4 214 B8R0.7 CSCSCC=C(C)C 62a_100000761012_100011218213 [1,0,0,0,0,0|3,0,0]=4 215 B8R0.7 CSCSCC=C(C)C 62a_100011218213_100000761012 [1,0,0,0,0,0|3,0,0]=4 216 B8R0.28 C=C(C)CCNC(C)C 2230a_100138425928_100000730704 [1,0,0,0,0,0|1,0,2]=4 217 B8R0.28 C=C(C)CCNC(C)C 34a_100138425928_100000730704 [1,0,0,0,0,0|1,0,2]=4 218 B8R0.28 C=C(C)CCOC(C)C 34a_100000212225_100000730704 [1,0,0,0,0,0|1,0,2]=4 219 B8R0.28 C=C(C)CCOC(C)C 34a_100000764851_100000210206 [1,0,0,0,0,0|1,0,2]=4 220 B8R0.28 C=C(C)CCSC(C)C 62a_100000210206_100000730704 [1,0,0,0,0,0|1,0,2]=4 221 B8R0.28 C=C(C)CCSC(C)C 62a_100000730704_100000210206 [1,0,0,0,0,0|1,0,2]=4 222 B8R0.28 CC(=CCCN(C)C)C 2230a_100102631434_100011217483 [1,0,0,0,0,0|1,0,1]=3 223 B8R0.28 CC(=CCCN(C)C)C 269982a_100102631434_100011217483 [1,0,0,0,0,0|1,0,1]=3 224 B8R0.28 CC(=CCNC(C)C)C 2230a_100138425928_100000761012 [1,0,0,0,0,0|1,0,1]=3 225 B8R0.28 CC(=CCNC(C)C)C 34a_100000718196_100000210206 [1,0,0,0,0,0|1,0,1]=3 226 B8R0.28 CC(=CCNC(C)C)C 34a_100138425928_100000761012 [1,0,0,0,0,0|1,0,1]=3 227 B8R0.28 CC(=CCOC(C)C)C 34a_100000212225_100000761012 [1,0,0,0,0,0|1,0,1]=3 228 B8R0.28 CC(=CCOC(C)C)C 34a_100000753907_100000210206 [1,0,0,0,0,0|1,0,1]=3 229 B8R0.28 CC(=CCSC(C)C)C 62a_100000210206_100000761012 [1,0,0,0,0,0|1,0,1]=3 230 B8R0.28 CC(=CCSC(C)C)C 62a_100000761012_100000210206 [1,0,0,0,0,0|1,0,1]=3 231 B8R0.28 CC(=O)C/C=C/C(C)C 1458a_100016292215_200000210301 [1,0,0,0,0,0|0,0,3]=4 232 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [1,0,0,0,0,0|0,0,1]=2 233 B8R0.28 CC(=O)CCC=C(F)F 1458a_100000070787_200009816681 [1,0,0,0,0,0|2,0,1]=4 234 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [1,0,0,0,0,0|1,0,2]=4 235 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [1,0,0,0,0,0|0,0,3]=4 236 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [1,0,0,0,0,0|0,0,3]=4 237 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [1,0,0,0,0,0|1,0,2]=4 238 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [1,0,0,0,0,0|1,0,2]=4 239 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [1,0,0,0,0,0|1,0,2]=4 240 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [1,0,0,0,0,0|2,0,1]=4 241 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [1,0,0,0,0,0|2,0,1]=4 242 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [1,0,0,0,0,0|2,0,1]=4 243 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [1,0,0,0,0,0|1,0,2]=4 244 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [1,0,0,0,0,0|1,0,2]=4 245 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [1,0,0,0,0,0|1,0,2]=4 246 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [1,0,0,0,0,0|2,0,1]=4 247 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [1,0,0,0,0,0|1,0,2]=4 248 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [1,0,0,0,0,0|1,0,2]=4 249 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [1,0,0,0,0,0|1,0,2]=4 250 B8R0.28 CC(=O)NCC=C(C)C 11a_100000718196_100015343762 [1,0,0,0,0,0|1,0,1]=3 251 B8R0.28 CC(=O)NCC=C(C)C 1626a_100000718196_100015343762 [1,0,0,0,0,0|1,0,1]=3 252 B8R0.28 CC(=O)NCC=C(C)C 527a_100000718196_100103153847 [1,0,0,0,0,0|1,0,1]=3 253 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [1,0,0,0,0,0|2,0,1]=4 254 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [1,0,0,0,0,0|2,0,1]=4 255 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [1,0,0,0,0,0|2,0,1]=4 256 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [1,0,0,0,0,0|2,0,1]=4 257 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [1,0,0,0,0,0|2,0,1]=4 258 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [1,0,0,0,0,0|2,0,1]=4 259 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [1,0,0,0,0,0|2,0,1]=4 260 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [1,0,0,0,0,0|2,0,1]=4 261 B8R0.28 CC(Br)CCOC(C)C 34a_100009893172_100000210206 [1,0,0,0,0,0|2,0,1]=4 262 B8R0.28 CC(C)/C=C/CC(=O)[13CH3] 1458a_100016292215_200025704644 [1,0,0,0,0,0|0,0,3]=4 263 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [1,0,0,0,0,0|0,0,3]=4 264 B8R0.28 CC(C)CCCN(C)C 2230a_100102631434_100011214892 [1,0,0,0,0,0|1,0,2]=4 265 B8R0.28 CC(C)CCCN(C)C 269982a_100102631434_100011214892 [1,0,0,0,0,0|1,0,2]=4 266 B8R0.28 CC(C)CCNC(C)C 2230a_100138425928_100000210312 [1,0,0,0,0,0|1,0,2]=4 267 B8R0.28 CC(C)CCNC(C)C 34a_100138425928_100000210312 [1,0,0,0,0,0|1,0,2]=4 268 B8R0.28 CC(C)CCOC(C)C 34a_100000210254_100000210206 [1,0,0,0,0,0|1,0,2]=4 269 B8R0.28 CC(C)CCOC(C)C 34a_100000212225_100000210312 [1,0,0,0,0,0|1,0,2]=4 270 B8R0.28 CC(C)CCOC(C)C 7a_100000210254_100000210206 [1,0,0,0,0,0|1,0,2]=4 271 B8R0.28 CC(C)CCSC(C)C 62a_100000210206_100000210312 [1,0,0,0,0,0|1,0,2]=4 272 B8R0.28 CC(C)CCSC(C)C 62a_100000210312_100000210206 [1,0,0,0,0,0|1,0,2]=4 273 B8R0.28 CC(C)OCC[C@@H](C)N 34a_100000706166_100000210206 [1,0,0,0,0,0|2,0,1]=4 274 B8R0.28 CC(O)CCCN(C)C 2230a_100102631434_200000718107 [1,0,0,0,0,0|1,0,2]=4 275 B8R0.28 CC(O)CCCN(C)C 269982a_100102631434_200000718107 [1,0,0,0,0,0|1,0,2]=4 276 B8R0.28 CC(O)CCNC(C)C 2230a_100138425928_100012276601 [1,0,0,0,0,0|1,0,2]=4 277 B8R0.28 CC(O)CCNC(C)C 2230a_200000755665_100000210206 [1,0,0,0,0,0|1,0,2]=4 278 B8R0.28 CC(O)CCNC(C)C 34a_100138425928_100012276601 [1,0,0,0,0,0|1,0,2]=4 279 B8R0.28 CC(O)CCOC(C)C 34a_100000212225_100012276601 [1,0,0,0,0,0|1,0,2]=4 280 B8R0.28 CC(O)CCSC(C)C 62a_100000210206_100012276601 [1,0,0,0,0,0|1,0,2]=4 281 B8R0.28 CC(O)CCSC(C)C 62a_100012276601_100000210206 [1,0,0,0,0,0|1,0,2]=4 282 B10R0.3 C#CCC(C)OCC=C(C)C 34a_100000685586_100000761012 [0,1,0,0,0,0|2,0,1]=4 283 B10R0.3 C#CCC(C)OCC=C(C)C 7a_100000685586_100000761012 [0,1,0,0,0,0|2,0,1]=4 284 B10R0.3 C#CCN(C)CCC=C(C)C 2230a_100000225692_100011217483 [0,1,0,0,0,0|2,0,1]=4 285 B10R0.3 C#CCN(C)CCC=C(C)C 34a_100000225692_100011217483 [0,1,0,0,0,0|2,0,1]=4 286 B10R0.3 C/C=C/C(C)OCC=C(C)C 34a_200102604097_100000761012 [0,1,0,0,0,0|2,0,0]=3 287 B10R0.3 C=CCC(=O)CCC=C(C)C 1458a_100000210193_100011217483 [0,1,0,0,0,0|2,0,1]=4 288 B10R0.3 C=CCN(C)CCC=C(C)C 2230a_100000225617_100011217483 [0,1,0,0,0,0|2,0,0]=3 289 B10R0.3 C=CCN(C)CCC=C(C)C 269982a_100000225617_100011217483 [0,1,0,0,0,0|2,0,0]=3 290 B10R0.3 C=CC[C@@H](C)OCC=C(C)C 34a_100000731007_100000761012 [0,1,0,0,0,0|2,0,0]=3 291 B10R0.3 C=CC[C@@H](C)OCC=C(C)C 7a_100000731007_100000761012 [0,1,0,0,0,0|2,0,0]=3 292 B10R0.3 CC#CC(C)OCC=C(C)C 34a_100011216543_100000761012 [0,1,0,0,0,0|2,0,1]=4 293 B10R0.3 CC(=CCCC(=O)C=CBr)C 1458a_100016273825_100011217483 [0,1,0,0,0,0|2,0,1]=4 294 B10R0.3 CC(=CCCC(=O)C=CCl)C 1458a_200016279998_100011217483 [0,1,0,0,0,0|2,0,1]=4 295 B10R0.3 CC(=CCCC(=O)C=CI)C 1458a_100016256311_100011217483 [0,1,0,0,0,0|2,0,1]=4 296 B10R0.3 CC(=CCCC(C)OCF)C 34a_100102619829_100015361967 [0,1,0,0,0,0|1,0,1]=3 297 B10R0.3 CC(=CCCC(C)OCF)C 7a_100102619829_100015361967 [0,1,0,0,0,0|1,0,1]=3 298 B10R0.3 CC(=CCCN(C)CC#N)C 2230a_100000748184_100011217483 [0,1,0,0,0,0|2,0,1]=4 299 B10R0.3 CC(=CCCN(C)CCO)C 2230a_100000210263_100011217483 [0,1,0,0,0,0|1,0,2]=4 300 B10R0.3 CC(=CCCN(C)CCO)C 269982a_100000210263_100011217483 [0,1,0,0,0,0|1,0,2]=4 301 B10R0.3 CC(=CCNC(C)CCO)C 34a_100000718196_100009893172 [0,1,0,0,0,0|1,0,2]=4 302 B10R0.3 CC(=CCN[C@@H](C)CC#N)C 2230a_100016994482_100000761012 [0,1,0,0,0,0|2,0,1]=4 303 B10R0.3 CC(=CCN[C@H](C)CCO)C 2230a_100000706166_100000761012 [0,1,0,0,0,0|1,0,2]=4 304 B10R0.3 CC(=CCN[C@H](C)CCO)C 34a_100000706166_100000761012 [0,1,0,0,0,0|1,0,2]=4 305 B10R0.3 CC(=CCOC(C)CCBr)C 34a_100012276601_100000761012 [0,1,0,0,0,0|2,0,1]=4 306 B10R0.3 CC(=CCOC(C)CCO)C 34a_100000753907_100009893172 [0,1,0,0,0,0|1,0,2]=4 307 B10R0.3 CC(=CCSC(C)CC#N)C 62a_100000761012_100009813641 [0,1,0,0,0,0|2,0,1]=4 308 B10R0.3 CC(=CCSC(C)CC#N)C 62a_100009813641_100000761012 [0,1,0,0,0,0|2,0,1]=4 309 B10R0.3 CC(=CCSC(C)CCO)C 62a_100000761012_100009893172 [0,1,0,0,0,0|1,0,2]=4 310 B10R0.3 CC(=CCSC(C)CCO)C 62a_100009893172_100000761012 [0,1,0,0,0,0|1,0,2]=4 311 B10R0.3 CC=CC(=O)CCC=C(C)C 1458a_100000210699_100011217483 [0,1,0,0,0,0|2,0,1]=4 312 B10R0.3 CCCC(C)NCC=C(C)C 2230a_100000741246_100000761012 [0,1,0,0,0,0|2,0,1]=4 313 B10R0.3 CCCC(C)NCC=C(C)C 270004a_100000718196_100000211909 [0,1,0,0,0,0|2,0,1]=4 314 B10R0.3 CCCC(C)NCC=C(C)C 34a_100000718196_100000766640 [0,1,0,0,0,0|2,0,1]=4 315 B10R0.3 CCCC(C)OCC=C(C)C 34a_100000753907_100000766640 [0,1,0,0,0,0|2,0,1]=4 316 B10R0.3 CCCC(C)OCC=C(C)C 34a_100000764384_100000761012 [0,1,0,0,0,0|2,0,1]=4 317 B10R0.3 CCCC(C)OCC=C(C)C 7a_100000764384_100000761012 [0,1,0,0,0,0|2,0,1]=4 318 B10R0.3 CCCC(C)SCC=C(C)C 62a_100000761012_100000766640 [0,1,0,0,0,0|2,0,1]=4 319 B10R0.3 CCCC(C)SCC=C(C)C 62a_100000766640_100000761012 [0,1,0,0,0,0|2,0,1]=4 320 B10R0.3 CCCN(C)CCC=C(C)C 2230a_100000747261_100011217483 [0,1,0,0,0,0|2,0,1]=4 321 B10R0.3 CCCN(C)CCC=C(C)C 269982a_100000747261_100011217483 [0,1,0,0,0,0|2,0,1]=4 322 B10R0.3 CCNC(C)CCC=C(C)C 270004a_100015525214_100000765506 [0,1,0,0,0,0|1,0,1]=3 323 B10R0.3 CCOC(C)CCC=C(C)C 34a_100102619829_100000210202 [0,1,0,0,0,0|1,0,1]=3 324 B10R0.3 CCOC(C)CCC=C(C)C 7a_100102619829_100000210202 [0,1,0,0,0,0|1,0,1]=3 325 B10R0.3 CN(C)CCCN(C)CC=O 269982a_100000225831_200015260668 [0,1,0,0,0,0|2,0,1]=4 326 B10R0.3 CNCC(C)CCC=C(C)C 270004a_106832991635_100000033009 [0,1,0,0,0,0|1,0,1]=3 327 B10R0.3 COCC(C)NCC=C(C)C 270004a_100000718196_100000749346 [0,1,0,0,0,0|1,0,2]=4 328 B10R0.3 COCC(C)NCC=C(C)C 34a_100000718196_100000765312 [0,1,0,0,0,0|1,0,2]=4 329 B10R0.3 COCC(C)OCC=C(C)C 34a_100000753907_100000765312 [0,1,0,0,0,0|1,0,2]=4 330 B10R0.3 COCC(C)SCC=C(C)C 62a_100000761012_100000765312 [0,1,0,0,0,0|1,0,2]=4 331 B10R0.3 COCC(C)SCC=C(C)C 62a_100000765312_100000761012 [0,1,0,0,0,0|1,0,2]=4 332 B10R0.3 COC[C@@H](C)NCC=C(C)C 2230a_100000764878_100000761012 [0,1,0,0,0,0|1,0,2]=4 333 B10R0.3 COC[C@@H](C)OCC=C(C)C 34a_100011934205_100000761012 [0,1,0,0,0,0|1,0,2]=4 334 B10R0.3 CSCC(C)NCC=C(C)C 270004a_100000718196_100011216314 [0,1,0,0,0,0|1,1,1]=4 335 B10R0.44 C#CC(C)OC(C)C=C(C)C 34a_100000717055_200000035995 [0,1,0,0,0,0|2,0,1]=4 336 B10R0.44 CC(=CC(=O)C[C@@H](C)CO)C 1458a_100000211388_100000059175 [0,1,0,0,0,0|0,0,3]=4 337 B10R0.44 CC(=CC(C)OC(C)CO)C 34a_100000717055_100012180447 [0,1,0,0,0,0|1,0,2]=4 338 B10R0.44 CCC(C)CC(=O)C=C(C)C 1458a_100000211388_100000748023 [0,1,0,0,0,0|1,0,2]=4 339 B10R0.44 CCC(C)OC(C)C=C(C)C 34a_100000717055_100011215416 [0,1,0,0,0,0|2,0,1]=4 340 B10R0.44 CC[C@H](C)CC(=O)C=C(C)C 1458a_100000211388_100009816398 [0,1,0,0,0,0|1,0,2]=4 341 B10R0.57 C#CC(C)C(=O)CC=C(C)C 1458a_100011220947_200000035995 [0,1,0,0,0,0|1,0,2]=4 342 B10R0.57 C/C=C(\C)/C(=O)CC=C(C)C 1458a_100020587367_100000761012 [0,1,0,0,0,0|1,0,2]=4 343 B10R0.57 C=CC(C)C(=O)CC=C(C)C 1458a_100011216780_100000761012 [0,1,0,0,0,0|1,0,1]=3 344 B10R0.57 CC(=CCC(=O)C(C)C#N)C 1458a_100000753662_100000761012 [0,1,0,0,0,0|1,0,2]=4 345 B10R0.57 CC(=CCC(=O)C(C)C#N)C 1458a_100011220947_100000703298 [0,1,0,0,0,0|1,0,2]=4 346 B10R0.57 CC(=CCN(C)C(C)CO)C 2230a_100000693034_100000761012 [0,1,0,0,0,0|1,0,2]=4 347 B10R0.57 CC(=CCN(C)C(C)CO)C 269982a_100000693034_100000761012 [0,1,0,0,0,0|1,0,2]=4 348 B10R0.57 CCC(C)C(=O)CC=C(C)C 1458a_100011192722_100000761012 [0,1,0,0,0,0|1,0,2]=4 349 B10R0.57 CCC(C)C(=O)CC=C(C)C 1458a_100011220947_100000758301 [0,1,0,0,0,0|1,0,2]=4 350 B10R0.57 CCC(C)N(C)CC=C(C)C 2230a_100000741768_100000761012 [0,1,0,0,0,0|2,0,1]=4 351 B10R0.57 CCC(C)N(C)CC=C(C)C 269982a_100000741768_100000761012 [0,1,0,0,0,0|2,0,1]=4 352 B10R0.57 COC(C)C(=O)CC=C(C)C 1458a_100000743197_100000761012 [0,1,0,0,0,0|2,0,1]=4 353 B10R0.57 CSC(C)C(=O)CC=C(C)C 1458a_100000149566_100000761012 [0,1,0,0,0,0|2,0,1]=4 354 B10R0.65 C#CC(C)(C)NCC=C(C)C 34a_100000054563_100000761012 [0,1,0,0,0,0|2,0,1]=4 355 B10R0.65 C#CC(C)(C)NCC=C(C)C 34a_100000718196_100000038118 [0,1,0,0,0,0|2,0,1]=4 356 B10R0.65 C#CC(C)(C)OCC=C(C)C 34a_100000189450_100000761012 [0,1,0,0,0,0|2,0,1]=4 357 B10R0.65 C#CC(C)(C)OCC=C(C)C 34a_100000753907_100000038118 [0,1,0,0,0,0|2,0,1]=4 358 B10R0.65 C#CC(C)(C)OCC=C(C)C 7a_100000189450_100000761012 [0,1,0,0,0,0|2,0,1]=4 359 B10R0.65 C#CC(C)(C)SCC=C(C)C 62a_100000038118_100000761012 [0,1,0,0,0,0|2,0,1]=4 360 B10R0.65 C#CC(C)(C)SCC=C(C)C 62a_100000761012_100000038118 [0,1,0,0,0,0|2,0,1]=4 361 B10R0.65 C=CC(C)(C)OCC=C(C)C 34a_100011215311_100000761012 [0,1,0,0,0,0|2,0,0]=3 362 B10R0.65 C=CC(C)(C)OCC=C(C)C 7a_100011215311_100000761012 [0,1,0,0,0,0|2,0,0]=3 363 B10R0.65 C=CC(F)(F)SCC=C(C)C 62a_100000761012_100009814244 [0,1,0,0,0,0|3,0,0]=4 364 B10R0.65 C=CC(F)(F)SCC=C(C)C 62a_100009814244_100000761012 [0,1,0,0,0,0|3,0,0]=4 365 B10R0.65 CC(=CCNC(C)(C)C#N)C 34a_100000718196_100011162410 [0,1,0,0,0,0|2,0,1]=4 366 B10R0.65 CC(=CCNC(C)(C)CO)C 2230a_100000210608_100000761012 [0,1,0,0,0,0|1,0,2]=4 367 B10R0.65 CC(=CCOC(C)(C)C#N)C 34a_100000753907_100011162410 [0,1,0,0,0,0|2,0,1]=4 368 B10R0.65 CC(=CCOC(C)(C)C#N)C 34a_200015195151_100000761012 [0,1,0,0,0,0|2,0,1]=4 369 B10R0.65 CC(=CCOC(C)(C)CCl)C 7a_100000764493_100000761012 [0,1,0,0,0,0|2,0,1]=4 370 B10R0.65 CC(=CCSC(C)(C)C#N)C 62a_100000761012_100011162410 [0,1,0,0,0,0|2,0,1]=4 371 B10R0.65 CC(=CCSC(C)(C)C#N)C 62a_100011162410_100000761012 [0,1,0,0,0,0|2,0,1]=4 372 B10R0.65 CCC(C)(C)NCC=C(C)C 2230a_100000211385_100000761012 [0,1,0,0,0,0|2,0,1]=4 373 B10R0.65 CCC(C)(C)OCC=C(C)C 7a_100000210230_100000761012 [0,1,0,0,0,0|2,0,1]=4 374 B10R0.65 CCC(C)(C)SCC=C(C)C 62a_100000032637_100000761012 [0,1,0,0,0,0|2,0,1]=4 375 B10R0.65 CCC(C)(C)SCC=C(C)C 62a_100000761012_100000032637 [0,1,0,0,0,0|2,0,1]=4 376 B10R0.77 C#CC(CC)OCC=C(C)C 34a_100000758843_100000761012 [0,1,0,0,0,0|2,0,1]=4 377 B10R0.77 C#CC(CC)OCC=C(C)C 7a_100000758843_100000761012 [0,1,0,0,0,0|2,0,1]=4 378 B10R0.77 C=CC(C=C)OCC=C(C)C 34a_100000033096_100000761012 [0,1,0,0,0,0|2,0,1]=4 379 B10R0.77 C=CC(CC)OCC=C(C)C 34a_100000766422_100000761012 [0,1,0,0,0,0|2,0,0]=3 380 B10R0.77 C=CC(CC)OCC=C(C)C 7a_100000766422_100000761012 [0,1,0,0,0,0|2,0,0]=3 381 B10R0.77 C=C[C@@H](CO)NCC=C(C)C 2230a_100016989147_100000761012 [0,1,0,0,0,0|2,0,0]=3 382 B10R0.77 C=C[C@@H](CO)NCC=C(C)C 34a_100016989147_100000761012 [0,1,0,0,0,0|2,0,0]=3 383 B10R0.77 CC(=CCNC(C=O)C=O)C 34a_100000718196_100000736813 [0,1,0,0,0,0|1,0,1]=3 384 B10R0.77 CC(=CCNC(CO)CO)C 2230a_100000759517_100000761012 [0,1,0,0,0,0|1,0,2]=4 385 B10R0.77 CC(=CCOC(C=O)C=O)C 34a_100000753907_100000736813 [0,1,0,0,0,0|1,0,1]=3 386 B10R0.77 CC(=CCOC(CCl)CCl)C 7a_100000737055_100000761012 [0,1,0,0,0,0|2,0,1]=4 387 B10R0.77 CC(=CCOC(CF)CF)C 34a_100000032261_100000761012 [0,1,0,0,0,0|2,0,1]=4 388 B10R0.77 CC(=CCOC(CF)CF)C 7a_100000032261_100000761012 [0,1,0,0,0,0|2,0,1]=4 389 B10R0.77 CC(=CCOC(CN)CN)C 34a_100000031598_100000761012 [0,1,0,0,0,0|2,0,1]=4 390 B10R0.77 CC(=CCO[C@@H](CF)CCl)C 34a_100015614560_100000761012 [0,1,0,0,0,0|2,0,1]=4 391 B10R0.77 CC(=CCO[C@@H](CF)CCl)C 7a_100015614560_100000761012 [0,1,0,0,0,0|2,0,1]=4 392 B10R0.77 CC(=CCSC(C=O)C=O)C 62a_100000736813_100000761012 [0,1,0,0,0,0|1,0,1]=3 393 B10R0.77 CC(=CCSC(C=O)C=O)C 62a_100000761012_100000736813 [0,1,0,0,0,0|1,0,1]=3 394 B10R0.77 CCC(CC)NCC=C(C)C 2230a_100000199018_100000761012 [0,1,0,0,0,0|2,0,1]=4 395 B10R0.77 CCC(CC)NCC=C(C)C 270004a_100000718196_100000210860 [0,1,0,0,0,0|2,0,1]=4 396 B10R0.77 CCC(CC)OCC=C(C)C 7a_100000688536_100000761012 [0,1,0,0,0,0|2,0,1]=4 397 B10R0.77 CCC(CC)SCC=C(C)C 62a_100000210505_100000761012 [0,1,0,0,0,0|2,0,1]=4 398 B10R0.77 CCC(CC)SCC=C(C)C 62a_100000761012_100000210505 [0,1,0,0,0,0|2,0,1]=4 399 B10R0.77 CCN(CC)CCC=C(C)C 2230a_100000724800_100011217483 [0,1,0,0,0,0|2,0,1]=4 400 B10R0.77 CCN(CC)CCC=C(C)C 269956a_100000042499_100011217483 [0,1,0,0,0,0|2,0,1]=4 401 B10R0.77 CCN(CC)CCC=C(C)C 269982a_100000724800_100011217483 [0,1,0,0,0,0|2,0,1]=4 402 B10R0.77 CC[C@@H](CO)NCC=C(C)C 2230a_100000709445_100000761012 [0,1,0,0,0,0|1,0,2]=4 403 B10R0.82 C=CC(C)OCC(=O)C(=O)C 34a_100000695699_100011261029 [0,1,0,0,0,0|3,0,0]=4 404 B10R0.82 C=CC(C)OCC(=O)C(C)C 34a_100000695699_100000753385 [0,1,0,0,0,0|2,0,1]=4 405 B10R0.82 C=CC(C)OCC(=O)N(C)C 34a_100000695699_100000692301 [0,1,0,0,0,0|3,0,0]=4 406 B10R0.82 C=CC(C)SCC(=O)C(=O)C 62a_100011215867_100011261029 [0,1,0,0,0,0|3,0,0]=4 407 B10R0.82 C=CC(C)SCC(=O)C(C)C 62a_100011215867_100000753385 [0,1,0,0,0,0|2,0,1]=4 408 B10R0.82 C=CC(C)SCC(=O)N(C)C 62a_100011215867_100000692301 [0,1,0,0,0,0|3,0,0]=4 409 B10R0.82 CCC(C)CCC(=O)C(C)C 1458a_100000701222_100000210206 [0,1,0,0,0,0|1,0,2]=4 410 B10R0.82 CCC(C)CCC(=O)N(C)C 11a_100102631434_100000701222 [0,1,0,0,0,0|2,0,1]=4 411 B10R0.82 CCC(C)CCC(=O)N(C)C 1626a_100102631434_100000701222 [0,1,0,0,0,0|2,0,1]=4 412 B10R0.82 CCC(C)CCC(=O)N(C)C 240690a_100102631434_100000701222 [0,1,0,0,0,0|2,0,1]=4 413 B10R0.82 CCC(C)CCC(=O)N(C)C 527a_100102631434_100000701222 [0,1,0,0,0,0|2,0,1]=4 414 B10R0.98 C=C(C)C(=O)CCC=C(C)C 1458a_100000185857_100011217483 [0,1,0,0,0,0|2,0,1]=4 415 B10R0.98 C=C(C)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000730704 [0,1,0,0,0,0|1,0,2]=4 416 B10R0.98 C=C(C)CCN[C@H](C)C(=O)N 2230a_100000119354_100000730704 [0,1,0,0,0,0|1,0,2]=4 417 B10R0.98 C=C(C)CCN[C@H](C)C(=O)N 34a_100000119354_100000730704 [0,1,0,0,0,0|1,0,2]=4 418 B10R0.98 C=C(C)CCOC(C)C(=O)C 34a_100000212229_100000730704 [0,1,0,0,0,0|1,0,2]=4 419 B10R0.98 C=C(C)CCOC(C)C(=O)N 34a_100000764851_100000702099 [0,1,0,0,0,0|1,0,2]=4 420 B10R0.98 C=C(C)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000730704 [0,1,0,0,0,0|1,0,2]=4 421 B10R0.98 C=C(C)CCO[C@H](C)C(=O)N 34a_100000731257_100000730704 [0,1,0,0,0,0|1,0,2]=4 422 B10R0.98 C=C(C)CCO[C@H](C)C(=O)N 7a_100000731257_100000730704 [0,1,0,0,0,0|1,0,2]=4 423 B10R0.98 C=C(C)CCSC(C)C(=O)C 62a_100000730704_100009814033 [0,1,0,0,0,0|1,0,2]=4 424 B10R0.98 C=C(C)CCSC(C)C(=O)C 62a_100009814033_100000730704 [0,1,0,0,0,0|1,0,2]=4 425 B10R0.98 C=C(C)CCSC(C)C(=O)N 62a_100000702099_100000730704 [0,1,0,0,0,0|1,0,2]=4 426 B10R0.98 C=C(C)CCSC(C)C(=O)N 62a_100000730704_100000702099 [0,1,0,0,0,0|1,0,2]=4 427 B10R0.98 C=C(C)CNCC(C)C(=O)O 269956a_100000749485_100000748629 [0,1,0,0,0,0|1,0,2]=4 428 B10R0.98 C=C(C)COCC(C)C(=O)C 34a_100000032740_100000748629 [0,1,0,0,0,0|1,0,2]=4 429 B10R0.98 C=C(C)COCC(C)C(=O)C 7a_100000032740_100000748629 [0,1,0,0,0,0|1,0,2]=4 430 B10R0.98 CC(=CCCC(C)N(C)C)C 270004a_100102631434_100000765506 [0,1,0,0,0,0|2,0,0]=3 431 B10R0.98 CC(=CCCN(C)C(C)C)C 269982a_200000211004_100011217483 [0,1,0,0,0,0|2,0,1]=4 432 B10R0.98 CC(=CCNC(C)C(=O)N)C 34a_100000718196_100000702099 [0,1,0,0,0,0|1,0,0]=2 433 B10R0.98 CC(=CCNC(C)C(C)C)C 2230a_100000211541_100000761012 [0,1,0,0,0,0|2,0,1]=4 434 B10R0.98 CC(=CCNC(F)C(=O)N)C 34a_100000718196_100009813875 [0,1,0,0,0,0|2,0,0]=3 435 B10R0.98 CC(=CCNC(F)C(=O)[O-])C 34a_100000718196_100020610796 [0,1,0,0,0,0|2,0,0]=3 436 B10R0.98 CC(=CCN[C@@H](C)C(=O)O)C 269956a_100000743915_100000761012 [0,1,0,0,0,0|1,0,0]=2 437 B10R0.98 CC(=CCN[C@H](C)C(=O)N)C 2230a_100000119354_100000761012 [0,1,0,0,0,0|1,0,0]=2 438 B10R0.98 CC(=CCN[C@H](C)C(=O)N)C 34a_100000119354_100000761012 [0,1,0,0,0,0|1,0,0]=2 439 B10R0.98 CC(=CCOC(C)C(=O)N)C 34a_100000753907_100000702099 [0,1,0,0,0,0|1,0,0]=2 440 B10R0.98 CC(=CCOC(C)C(C)C)C 7a_100000748068_100000761012 [0,1,0,0,0,0|2,0,1]=4 441 B10R0.98 CC(=CCOC(F)C(=O)N)C 34a_100000753907_100009813875 [0,1,0,0,0,0|2,0,0]=3 442 B10R0.98 CC(=CCOC(F)C(=O)[O-])C 34a_100000753907_100020610796 [0,1,0,0,0,0|2,0,0]=3 443 B10R0.98 CC(=CCO[C@@H](C)C(=O)[O-])C 7a_217856618621_100000761012 [0,1,0,0,0,0|1,0,0]=2 444 B10R0.98 CC(=CCO[C@H](C)C(=O)N)C 34a_100000731257_100000761012 [0,1,0,0,0,0|1,0,0]=2 445 B10R0.98 CC(=CCO[C@H](C)C(=O)N)C 7a_100000731257_100000761012 [0,1,0,0,0,0|1,0,0]=2 446 B10R0.98 CC(=CCSC(C)C(=O)N)C 62a_100000702099_100000761012 [0,1,0,0,0,0|1,0,0]=2 447 B10R0.98 CC(=CCSC(C)C(=O)N)C 62a_100000761012_100000702099 [0,1,0,0,0,0|1,0,0]=2 448 B10R0.98 CC(=CCSC(F)C(=O)N)C 62a_100000761012_100009813875 [0,1,0,0,0,0|2,0,0]=3 449 B10R0.98 CC(=CCSC(F)C(=O)N)C 62a_100009813875_100000761012 [0,1,0,0,0,0|2,0,0]=3 450 B10R0.98 CC(=CCSC(F)C(=O)[O-])C 62a_100000761012_100020610796 [0,1,0,0,0,0|2,0,0]=3 451 B10R0.98 CC(=CCSC(F)C(=O)[O-])C 62a_100020610796_100000761012 [0,1,0,0,0,0|2,0,0]=3 452 B10R0.98 CC(=O)C(C)COCC(C)C 34a_100000032740_100000210624 [0,1,0,0,0,0|1,0,2]=4 453 B10R0.98 CC(=O)C(C)COCC(C)C 7a_100000032740_100000210760 [0,1,0,0,0,0|1,0,2]=4 454 B10R0.98 CC(=O)C(C)OCC=C(C)C 34a_100000212229_100000761012 [0,1,0,0,0,0|1,0,0]=2 455 B10R0.98 CC(=O)C(C)OCCC(C)C 34a_100000212229_100000210312 [0,1,0,0,0,0|1,0,2]=4 456 B10R0.98 CC(=O)C(C)OCCC(C)C 7a_100000210254_100000179758 [0,1,0,0,0,0|1,0,2]=4 457 B10R0.98 CC(=O)C(C)OCOC(C)C 34a_100000212229_100000709892 [0,1,0,0,0,0|2,0,1]=4 458 B10R0.98 CC(=O)C(C)SCC=C(C)C 62a_100000761012_100009814033 [0,1,0,0,0,0|1,0,0]=2 459 B10R0.98 CC(=O)C(C)SCC=C(C)C 62a_100009814033_100000761012 [0,1,0,0,0,0|1,0,0]=2 460 B10R0.98 CC(=O)C(C)SCCC(C)C 62a_100000210312_100009814033 [0,1,0,0,0,0|1,0,2]=4 461 B10R0.98 CC(=O)C(C)SCCC(C)C 62a_100009814033_100000210312 [0,1,0,0,0,0|1,0,2]=4 462 B10R0.98 CC(=O)C(C)SCCN(C)C 62a_100009814033_100000755713 [0,1,0,0,0,0|2,0,1]=4 463 B10R0.98 CC(=O)C(C)SCOC(C)C 62a_100000709892_100009814033 [0,1,0,0,0,0|2,0,1]=4 464 B10R0.98 CC(=O)C(C)SCOC(C)C 62a_100009814033_100000709892 [0,1,0,0,0,0|2,0,1]=4 465 B10R0.98 CC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000053229 [0,1,0,0,0,0|2,0,1]=4 466 B10R0.98 CC(=O)CCOC(C)C(=O)C 7a_100000759926_100000179758 [0,1,0,0,0,0|2,0,1]=4 467 B10R0.98 CC(=O)CCOC(C)C(=O)N 34a_100000759926_100000702099 [0,1,0,0,0,0|2,0,1]=4 468 B10R0.98 CC(=O)CCOC(C)C(=O)N 7a_100000759926_100000702099 [0,1,0,0,0,0|2,0,1]=4 469 B10R0.98 CC(=O)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000053229 [0,1,0,0,0,0|2,0,1]=4 470 B10R0.98 CC(=O)CCO[C@H](C)C(=O)N 7a_100000731257_100000053229 [0,1,0,0,0,0|2,0,1]=4 471 B10R0.98 CC(=O)CCSC(C)C(=O)C 62a_100000053229_100009814033 [0,1,0,0,0,0|2,0,1]=4 472 B10R0.98 CC(=O)CCSC(C)C(=O)C 62a_100009814033_100000053229 [0,1,0,0,0,0|2,0,1]=4 473 B10R0.98 CC(=O)CCSC(C)C(=O)N 62a_100000053229_100000702099 [0,1,0,0,0,0|2,0,1]=4 474 B10R0.98 CC(=O)CCSC(C)C(=O)N 62a_100000702099_100000053229 [0,1,0,0,0,0|2,0,1]=4 475 B10R0.98 CC(=O)N(C)CCCN(C)C 240690a_100000225831_100015343762 [0,1,0,0,0,0|2,0,1]=4 476 B10R0.98 CC(=O)OCN[C@@H](C)C(=O)O 269956a_100000743915_100000076356 [0,1,0,0,0,0|3,0,0]=4 477 B10R0.98 CC(=O)OCN[C@H](C)C(=O)N 34a_100000119354_100009813279 [0,1,0,0,0,0|3,0,0]=4 478 B10R0.98 CC(=O)OCOC(C)C(=O)C 34a_100000212229_100009813279 [0,1,0,0,0,0|3,0,0]=4 479 B10R0.98 CC(=O)OCO[C@H](C)C(=O)N 34a_100000731257_100009813279 [0,1,0,0,0,0|3,0,0]=4 480 B10R0.98 CC(=O)OCSC(C)C(=O)C 62a_100000076356_100009814033 [0,1,0,0,0,0|3,0,0]=4 481 B10R0.98 CC(=O)OCSC(C)C(=O)C 62a_100009814033_100000076356 [0,1,0,0,0,0|3,0,0]=4 482 B10R0.98 CC(=O)OCSC(C)C(=O)N 62a_100000076356_100000702099 [0,1,0,0,0,0|3,0,0]=4 483 B10R0.98 CC(=O)OCSC(C)C(=O)N 62a_100000702099_100000076356 [0,1,0,0,0,0|3,0,0]=4 484 B10R0.98 CC(C)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210312 [0,1,0,0,0,0|1,0,2]=4 485 B10R0.98 CC(C)CCN[C@H](C)C(=O)N 2230a_100000119354_100000210312 [0,1,0,0,0,0|1,0,2]=4 486 B10R0.98 CC(C)CCN[C@H](C)C(=O)N 34a_100000119354_100000210312 [0,1,0,0,0,0|1,0,2]=4 487 B10R0.98 CC(C)CCOC(C)C(=O)N 34a_100000210254_100000702099 [0,1,0,0,0,0|1,0,2]=4 488 B10R0.98 CC(C)CCOC(C)C(=O)N 7a_100000210254_100000702099 [0,1,0,0,0,0|1,0,2]=4 489 B10R0.98 CC(C)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210626 [0,1,0,0,0,0|1,0,2]=4 490 B10R0.98 CC(C)CCO[C@H](C)C(=O)N 34a_100000731257_100000210312 [0,1,0,0,0,0|1,0,2]=4 491 B10R0.98 CC(C)CCO[C@H](C)C(=O)N 7a_100000731257_100000210626 [0,1,0,0,0,0|1,0,2]=4 492 B10R0.98 CC(C)CCSC(C)C(=O)N 62a_100000210312_100000702099 [0,1,0,0,0,0|1,0,2]=4 493 B10R0.98 CC(C)CCSC(C)C(=O)N 62a_100000702099_100000210312 [0,1,0,0,0,0|1,0,2]=4 494 B10R0.98 CC(C)CNCC(C)C(=O)O 269956a_100000749485_100000210760 [0,1,0,0,0,0|1,0,2]=4 495 B10R0.98 CC(C)OCN[C@@H](C)C(=O)O 269956a_100000743915_100000709892 [0,1,0,0,0,0|2,0,1]=4 496 B10R0.98 CC(C)OCN[C@H](C)C(=O)N 2230a_100000119354_100000709892 [0,1,0,0,0,0|2,0,1]=4 497 B10R0.98 CC(C)OCN[C@H](C)C(=O)N 34a_100000119354_100000709892 [0,1,0,0,0,0|2,0,1]=4 498 B10R0.98 CC(C)OCO[C@H](C)C(=O)N 34a_100000731257_100000709892 [0,1,0,0,0,0|2,0,1]=4 499 B10R0.98 CC(C)OCSC(C)C(=O)N 62a_100000702099_100000709892 [0,1,0,0,0,0|2,0,1]=4 500 B10R0.98 CC(C)OCSC(C)C(=O)N 62a_100000709892_100000702099 [0,1,0,0,0,0|2,0,1]=4 501 B10R0.98 CC(SCCN(C)C)C(=O)N 62a_100000702099_100000755713 [0,1,0,0,0,0|2,0,1]=4 502 B10R0.98 C[C@@H](OCCN(C)C)C(=O)N 7a_100000731257_100000755713 [0,1,0,0,0,0|2,0,1]=4 503 B10R0.98 C[C@H](NCCN(C)C)C(=O)O 269956a_100000743915_100000755713 [0,1,0,0,0,0|2,0,1]=4 504 B10R0.98 C[C@H](OCCN(C)C)C(=O)[O-] 7a_217856618621_100000755713 [0,1,0,0,0,0|2,0,1]=4 505 B10R1.73 CC(=CCN[C@@H]1C[C@@H]1F)C 2230a_100015190264_100000761012 [0,0,0,1,0,0|2,0,1]=4 506 B10R1.73 CC(=CCN[C@@H]1C[C@H]1F)C 2230a_100025746932_100000761012 [0,0,0,1,0,0|2,0,1]=4 507 B10R1.73 CC(=CCN[C@@H]1C[C@H]1F)C 34a_100025746932_100000761012 [0,0,0,1,0,0|2,0,1]=4 508 B10R1.117 CC(=CCN1CCC1C)C 269982a_100000755817_100000761012 [0,0,0,1,0,0|2,0,1]=4 509 B10R1.117 CC(=CCN1CCC1C)C 34a_100000755817_100000761012 [0,0,0,1,0,0|2,0,1]=4 510 B10R1.127 CC(=CCCN1CCC1)C 269982a_100000754969_100011217483 [0,0,0,1,0,0|2,0,1]=4 511 B10R1.127 CC(=CCNC1CCC1)C 2230a_100000749019_100000761012 [0,0,0,1,0,0|2,0,1]=4 512 B10R1.127 CC(=CCNC1CCC1)C 270004a_100000718196_100000241760 [0,0,0,1,0,0|2,0,1]=4 513 B10R1.127 CC(=CCNC1CCC1)C 34a_100000718196_100000749161 [0,0,0,1,0,0|2,0,1]=4 514 B10R1.127 CC(=CCNC1CCC1)C 34a_100000749019_100000761012 [0,0,0,1,0,0|2,0,1]=4 515 B10R1.127 CC(=CCNC1COC1)C 2230a_100016991112_100000761012 [0,0,0,1,0,0|1,0,2]=4 516 B10R1.127 CC(=CCNC1COC1)C 34a_100000718196_100009818527 [0,0,0,1,0,0|1,0,2]=4 517 B10R1.127 CC(=CCOC1CCC1)C 34a_100000748187_100000761012 [0,0,0,1,0,0|2,0,1]=4 518 B10R1.127 CC(=CCOC1CCC1)C 34a_100000753907_100000749161 [0,0,0,1,0,0|2,0,1]=4 519 B10R1.127 CC(=CCOC1COC1)C 34a_100000753907_100009818527 [0,0,0,1,0,0|1,0,2]=4 520 B10R1.127 CC(=CCOC1CSC1)C 7a_100000072292_100000761012 [0,0,0,1,0,0|1,1,1]=4 521 B10R1.127 CC(=CCSC1CCC1)C 62a_100000761012_100000749161 [0,0,0,1,0,0|2,0,1]=4 522 B10R1.127 CC(=CCSC1COC1)C 62a_100000761012_100009818527 [0,0,0,1,0,0|1,0,2]=4 523 B10R1.194 CC(=O)C1CCN(C1=O)C 1458a_100000070787_100000755940 [0,0,0,1,0,0|2,0,1]=4 524 B10R1.194 CC(=O)C1CCN(C1=O)C 1458a_100000137746_200000210301 [0,0,0,1,0,0|2,0,1]=4 525 B10R1.194 CN1CCC(C1=O)C(=O)[13CH3] 1458a_100000137746_200025704644 [0,0,0,1,0,0|2,0,1]=4 526 B10R1.194 CN1CCC(C1=O)N(C)C 2230a_100102631434_100000755940 [0,0,0,1,0,0|2,0,1]=4 527 B10R1.194 CN1CCC(C1=O)N(C)C 269982a_100102631434_100000755940 [0,0,0,1,0,0|2,0,1]=4 528 B10R1.277 CN1CCCN(C(=O)C1)C 2230a_100000709885_200000210301 [0,0,0,1,0,0|2,0,1]=4 529 B10R1.277 CN1CCCN(C(=O)C1)C 269982a_100000709885_200000210301 [0,0,0,1,0,0|2,0,1]=4 530 B10R1.277 CN1CCCN(C(=O)C1)C 34a_100000709885_200000210301 [0,0,0,1,0,0|2,0,1]=4 531 B10R1.277 CN1CCCN(CC1=O)[13CH3] 2230a_100000709885_200025704644 [0,0,0,1,0,0|2,0,1]=4 532 B10R1.277 CN1CCCN(CC1=O)[13CH3] 269982a_100000709885_200025704644 [0,0,0,1,0,0|2,0,1]=4 533 B10R1.277 CN1CCCN(CC1=O)[13CH3] 34a_100000709885_200025704644 [0,0,0,1,0,0|2,0,1]=4 534 B10R1.350 CC(=CCNC1(CC1)C)C 2230a_100000757604_100000761012 [0,0,0,1,0,0|2,0,1]=4 535 B10R1.350 CC(=CCOC1(CC1)C)C 7a_100011725673_100000761012 [0,0,0,1,0,0|2,0,1]=4 536 B8R0.9 C=C(C)CCC(C)NC 270004a_106832991635_100011215600 [0,0,0,0,1,0|2,0,1]=4 537 B8R0.9 C=CC(=O)CC=C(C)C 1458a_100000185746_100000761012 [0,0,0,0,1,0|2,0,1]=4 538 B8R0.9 C=CC(C)COC(C)C 34a_100011215527_100000210206 [0,0,0,0,1,0|2,0,1]=4 539 B8R0.9 C=CC(C)COC(C)C 7a_100011215527_100000210206 [0,0,0,0,1,0|2,0,1]=4 540 B8R0.9 C=CC(C)OCC(=C)C 34a_100000695699_100000748629 [0,0,0,0,1,0|2,0,1]=4 541 B8R0.9 C=CC(C)OCC(C)C 34a_100000695699_100000210624 [0,0,0,0,1,0|2,0,1]=4 542 B8R0.9 C=CC(C)SCC(=C)C 62a_100011215867_100000211660 [0,0,0,0,1,0|2,0,1]=4 543 B8R0.9 C=CC(C)SCC(C)C 62a_100011215867_100000210760 [0,0,0,0,1,0|2,0,1]=4 544 B8R0.9 CC(C)CCC(C)N[13CH3] 2230a_100138410893_200025704644 [0,0,0,0,1,0|2,0,1]=4 545 B8R0.9 CC(C)CCC(C)O[13CH3] 34a_100011215350_200025704644 [0,0,0,0,1,0|2,0,1]=4 546 B8R0.9 CC(C)CCC(C)O[13CH3] 7a_100011215350_200025704644 [0,0,0,0,1,0|2,0,1]=4 547 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_100011261404_200025704644 [0,0,0,0,1,0|2,0,1]=4 548 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_200025704644_100011261404 [0,0,0,0,1,0|2,0,1]=4 549 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [0,0,0,0,1,0|2,0,1]=4 550 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [0,0,0,0,1,0|2,0,1]=4 551 B8R0.9 CCN(C)CC=C(C)C 2230a_100000225621_100000761012 [0,0,0,0,1,0|2,0,1]=4 552 B8R0.9 CCN(C)CC=C(C)C 269982a_100000225621_100000761012 [0,0,0,0,1,0|2,0,1]=4 553 B8R0.9 CNC(C)CCC(C)C 2230a_100138410893_200000210301 [0,0,0,0,1,0|2,0,1]=4 554 B8R0.9 CNC(C)CCC(C)C 2230a_106832991635_100011261404 [0,0,0,0,1,0|2,0,1]=4 555 B8R0.9 CNC(C)CCC(C)C 270004a_106832991635_100000210476 [0,0,0,0,1,0|2,0,1]=4 556 B8R0.9 CNC(C)CCC(C)C 34a_100102657272_100011261404 [0,0,0,0,1,0|2,0,1]=4 557 B8R0.9 COC(C)CCC(C)C 34a_100011215350_200000210301 [0,0,0,0,1,0|2,0,1]=4 558 B8R0.9 COC(C)CCC(C)C 34a_100138415774_100011261404 [0,0,0,0,1,0|2,0,1]=4 559 B8R0.9 COC(C)CCC(C)C 7a_100011215350_200000210301 [0,0,0,0,1,0|2,0,1]=4 560 B8R0.9 CSC(C)CCC(C)C 62a_100011261404_200000210301 [0,0,0,0,1,0|2,0,1]=4 561 B8R0.9 CSC(C)CCC(C)C 62a_200000210301_100011261404 [0,0,0,0,1,0|2,0,1]=4 562 B10R0.55 C#CC(C)NCCC=C(C)C 2230a_100000707721_100011217483 [0,0,0,0,0,1|1,0,1]=3 563 B10R0.55 C#CC(C)NCCC=C(C)C 34a_100000707721_100011217483 [0,0,0,0,0,1|1,0,1]=3 564 B10R0.55 C#CC(C)SCCC=C(C)C 62a_200000035995_100011217483 [0,0,0,0,0,1|1,0,1]=3 565 B10R0.55 C#C[C@@H](C)OCCC=C(C)C 34a_100009815206_100011217483 [0,0,0,0,0,1|1,0,1]=3 566 B10R0.55 C#C[C@@H](C)OCCC=C(C)C 7a_100009815206_100011217483 [0,0,0,0,0,1|1,0,1]=3 567 B10R0.55 C=CC(C)COCC=C(C)C 34a_100011215527_100000761012 [0,0,0,0,0,1|1,0,0]=2 568 B10R0.55 C=CC(C)COCC=C(C)C 7a_100011215527_100000761012 [0,0,0,0,0,1|1,0,0]=2 569 B10R0.55 C=CC(C)COCCC(=C)C 34a_100011215527_100000730704 [0,0,0,0,0,1|1,0,2]=4 570 B10R0.55 C=CC(C)COCCC(=C)C 7a_100011215527_100000730704 [0,0,0,0,0,1|1,0,2]=4 571 B10R0.55 C=CC(C)COCCC(=O)C 7a_100011215527_100000053229 [0,0,0,0,0,1|2,0,1]=4 572 B10R0.55 C=CC(C)COCCC(C)C 34a_100011215527_100000210312 [0,0,0,0,0,1|1,0,2]=4 573 B10R0.55 C=CC(C)COCCC(C)C 7a_100011215527_100000210626 [0,0,0,0,0,1|1,0,2]=4 574 B10R0.55 C=CC(C)COCCN(C)C 7a_100011215527_100000755713 [0,0,0,0,0,1|2,0,1]=4 575 B10R0.55 C=CC(C)COCOC(=O)C 34a_100011215527_100009813279 [0,0,0,0,0,1|3,0,0]=4 576 B10R0.55 C=CC(C)COCOC(C)C 34a_100011215527_100000709892 [0,0,0,0,0,1|2,0,1]=4 577 B10R0.55 C=CC(C)OCCC=C(C)C 34a_100000695699_100011217483 [0,0,0,0,0,1|1,0,0]=2 578 B10R0.55 C=CC(C)OCCC=C(F)F 34a_100000695699_200009816681 [0,0,0,0,0,1|3,0,0]=4 579 B10R0.55 C=CC(C)OCCCC(=O)C 34a_100000695699_100000685027 [0,0,0,0,0,1|2,0,1]=4 580 B10R0.55 C=CC(C)OCCCC(C)C 34a_100000695699_100011214892 [0,0,0,0,0,1|1,0,2]=4 581 B10R0.55 C=CC(C)OCCOC(=O)C 34a_100000695699_100009814007 [0,0,0,0,0,1|3,0,0]=4 582 B10R0.55 C=CC(C)OCCOC(C)C 34a_100000695699_100000211751 [0,0,0,0,0,1|2,0,1]=4 583 B10R0.55 C=CC(C)OCCSC(C)C 34a_100000695699_100000730970 [0,0,0,0,0,1|2,0,1]=4 584 B10R0.55 C=CC(C)SCCC=C(C)C 62a_100011215867_100011217483 [0,0,0,0,0,1|1,0,0]=2 585 B10R0.55 C=CC(C)SCCC=C(F)F 62a_100011215867_200009816681 [0,0,0,0,0,1|3,0,0]=4 586 B10R0.55 C=CC(C)SCCCC(=O)C 62a_100011215867_100011215641 [0,0,0,0,0,1|2,0,1]=4 587 B10R0.55 C=CC(C)SCCCC(C)C 62a_100011215867_100011214892 [0,0,0,0,0,1|1,0,2]=4 588 B10R0.55 C=CC(C)SCCCN(C)C 62a_100011215867_100000757444 [0,0,0,0,0,1|2,0,1]=4 589 B10R0.55 C=CC(C)SCCNC(=O)C 62a_100011215867_100000189650 [0,0,0,0,0,1|3,0,0]=4 590 B10R0.55 C=CC(C)SCCOC(=O)C 62a_100011215867_100009814007 [0,0,0,0,0,1|3,0,0]=4 591 B10R0.55 C=CC(C)SCCOC(C)C 62a_100011215867_100000211751 [0,0,0,0,0,1|2,0,1]=4 592 B10R0.55 C=CC(C)SCCSC(C)C 62a_100011215867_100000730970 [0,0,0,0,0,1|2,0,1]=4 593 B10R0.55 C=CC(O)CNCC=C(C)C 34a_100000718196_100000730141 [0,0,0,0,0,1|2,0,0]=3 594 B10R0.55 C=CC(O)COCC=C(C)C 34a_100000753907_100000730141 [0,0,0,0,0,1|2,0,0]=3 595 B10R0.55 C=CC(O)CSCC=C(C)C 62a_100000730141_100000761012 [0,0,0,0,0,1|2,0,0]=3 596 B10R0.55 C=CC(O)CSCC=C(C)C 62a_100000761012_100000730141 [0,0,0,0,0,1|2,0,0]=3 597 B10R0.55 C=C[C@H](N)COCC=C(C)C 34a_100016989147_100000761012 [0,0,0,0,0,1|2,0,0]=3 598 B10R0.55 CC(=CCCNC(C)C#N)C 2230a_100000737613_100011217483 [0,0,0,0,0,1|1,0,1]=3 599 B10R0.55 CC(=CCCN[C@H](C)CO)C 2230a_100000737577_100011217483 [0,0,0,0,0,1|0,0,2]=3 600 B10R0.55 CC(=CCCOC(C)C#N)C 34a_100011218135_100011217483 [0,0,0,0,0,1|1,0,1]=3 601 B10R0.55 CC(=CCCOC(C)CF)C 34a_100016041109_100011217483 [0,0,0,0,0,1|1,0,1]=3 602 B10R0.55 CC(=CCCOC(C)CF)C 7a_100016041109_100011217483 [0,0,0,0,0,1|1,0,1]=3 603 B10R0.55 CC(=CCCOC(C)CN)C 34a_100000210904_100011217483 [0,0,0,0,0,1|1,0,1]=3 604 B10R0.55 CC(=CCCSC(C)C#N)C 62a_100000703298_100011217483 [0,0,0,0,0,1|1,0,1]=3 605 B10R0.55 CC(=CCCSC(C)C#N)C 62a_100011217483_100000703298 [0,0,0,0,0,1|1,0,1]=3 606 B10R0.55 CC(=CCCSC(C)CO)C 62a_100012180447_100011217483 [0,0,0,0,0,1|0,0,2]=3 607 B10R0.55 CC(=CCCSC(F)C#N)C 62a_100011217483_200000117898 [0,0,0,0,0,1|2,0,1]=4 608 B10R0.55 CC(=CCCSC(F)C#N)C 62a_200000117898_100011217483 [0,0,0,0,0,1|2,0,1]=4 609 B10R0.55 CC(=CCCS[C@H](C)CO)C 62a_100011217483_100016084084 [0,0,0,0,0,1|0,0,2]=3 610 B10R0.55 CC(=CCCS[C@H](C)CO)C 62a_100016084084_100011217483 [0,0,0,0,0,1|0,0,2]=3 611 B10R0.55 CC(=CCNCC(C)CO)C 34a_100000744482_100000761012 [0,0,0,0,0,1|0,0,2]=3 612 B10R0.55 CC(=CCNCC(O)CO)C 34a_100000718196_100011219619 [0,0,0,0,0,1|1,0,2]=4 613 B10R0.55 CC(=CCNC[C@@H](C)CO)C 34a_100000718196_100000059175 [0,0,0,0,0,1|0,0,2]=3 614 B10R0.55 CC(=CCNC[C@@H](F)CO)C 34a_100015665980_100000761012 [0,0,0,0,0,1|1,0,2]=4 615 B10R0.55 CC(=CCNC[C@@H](O)CF)C 34a_100000718196_100015614560 [0,0,0,0,0,1|2,0,1]=4 616 B10R0.55 CC(=CCNC[C@@H](O)CO)C 34a_100000718196_100009815848 [0,0,0,0,0,1|1,0,2]=4 617 B10R0.55 CC(=CCNC[C@H](O)CO)C 2230a_100020644852_100000761012 [0,0,0,0,0,1|1,0,2]=4 618 B10R0.55 CC(=CCOCC(C)CN)C 34a_100000744482_100000761012 [0,0,0,0,0,1|1,0,1]=3 619 B10R0.55 CC(=CCOCC(Cl)CCl)C 34a_100000033668_100000761012 [0,0,0,0,0,1|2,0,1]=4 620 B10R0.55 CC(=CCOCC(O)CO)C 34a_100000753907_100011219619 [0,0,0,0,0,1|1,0,2]=4 621 B10R0.55 CC(=CCOC[C@@H](C)CO)C 34a_100000753907_100000059175 [0,0,0,0,0,1|0,0,2]=3 622 B10R0.55 CC(=CCOC[C@@H](O)CF)C 34a_100000753907_100015614560 [0,0,0,0,0,1|2,0,1]=4 623 B10R0.55 CC(=CCOC[C@@H](O)CO)C 34a_100000753907_100009815848 [0,0,0,0,0,1|1,0,2]=4 624 B10R0.55 CC(=CCOC[C@H](F)CN)C 34a_100015665980_100000761012 [0,0,0,0,0,1|2,0,1]=4 625 B10R0.55 CC(=CCSCC(O)CO)C 62a_100000761012_100011219619 [0,0,0,0,0,1|1,0,2]=4 626 B10R0.55 CC(=CCSCC(O)CO)C 62a_100011219619_100000761012 [0,0,0,0,0,1|1,0,2]=4 627 B10R0.55 CC(=CCSC[C@@H](C)CO)C 62a_100000059175_100000761012 [0,0,0,0,0,1|0,0,2]=3 628 B10R0.55 CC(=CCSC[C@@H](C)CO)C 62a_100000761012_100000059175 [0,0,0,0,0,1|0,0,2]=3 629 B10R0.55 CC(=CCSC[C@@H](O)CF)C 62a_100000761012_100015614560 [0,0,0,0,0,1|2,0,1]=4 630 B10R0.55 CC(=CCSC[C@@H](O)CF)C 62a_100015614560_100000761012 [0,0,0,0,0,1|2,0,1]=4 631 B10R0.55 CC(=CCSC[C@@H](O)CO)C 62a_100000761012_100009815848 [0,0,0,0,0,1|1,0,2]=4 632 B10R0.55 CC(=CCSC[C@@H](O)CO)C 62a_100009815848_100000761012 [0,0,0,0,0,1|1,0,2]=4 633 B10R0.55 CCC(C)CNCC=C(C)C 2230a_100020588543_100000761012 [0,0,0,0,0,1|1,0,1]=3 634 B10R0.55 CCC(C)CNCC=C(C)C 270004a_100000718196_100000243153 [0,0,0,0,0,1|1,0,1]=3 635 B10R0.55 CCC(C)CNCC=C(C)C 34a_100000718196_100000748023 [0,0,0,0,0,1|1,0,1]=3 636 B10R0.55 CCC(C)COCC=C(C)C 34a_100000753907_100000748023 [0,0,0,0,0,1|1,0,1]=3 637 B10R0.55 CCC(C)CSCC=C(C)C 62a_100000748023_100000761012 [0,0,0,0,0,1|1,0,1]=3 638 B10R0.55 CCC(C)CSCC=C(C)C 62a_100000761012_100000748023 [0,0,0,0,0,1|1,0,1]=3 639 B10R0.55 CCC(C)NCCC=C(C)C 2230a_100000209981_100011217483 [0,0,0,0,0,1|1,0,1]=3 640 B10R0.55 CCC(C)OCCC=C(C)C 7a_100000210228_100011217483 [0,0,0,0,0,1|1,0,1]=3 641 B10R0.55 CCC(C)SCCC=C(C)C 62a_100000758301_100011217483 [0,0,0,0,0,1|1,0,1]=3 642 B10R0.55 CCC(C)SCCC=C(C)C 62a_100011217483_100000758301 [0,0,0,0,0,1|1,0,1]=3 643 B10R0.55 CCC(O)CNCC=C(C)C 2230a_100011218483_100000761012 [0,0,0,0,0,1|2,0,1]=4 644 B10R0.55 CCC(O)CNCC=C(C)C 34a_100000718196_100011218378 [0,0,0,0,0,1|2,0,1]=4 645 B10R0.55 CCC(O)COCC=C(C)C 34a_100000753907_100011218378 [0,0,0,0,0,1|2,0,1]=4 646 B10R0.55 CCC(O)CSCC=C(C)C 62a_100000761012_100011218378 [0,0,0,0,0,1|2,0,1]=4 647 B10R0.55 CCC(O)CSCC=C(C)C 62a_100011218378_100000761012 [0,0,0,0,0,1|2,0,1]=4 648 B10R0.55 CC[C@H](C)CNCC=C(C)C 34a_100000718196_100009816398 [0,0,0,0,0,1|1,0,1]=3 649 B10R0.55 CC[C@H](C)COCC=C(C)C 34a_100000753907_100009816398 [0,0,0,0,0,1|1,0,1]=3 650 B10R0.55 CC[C@H](C)COCC=C(C)C 7a_100009816381_100000761012 [0,0,0,0,0,1|1,0,1]=3 651 B10R0.55 CC[C@H](C)CSCC=C(C)C 62a_100000761012_100009816398 [0,0,0,0,0,1|1,0,1]=3 652 B10R0.55 CC[C@H](C)CSCC=C(C)C 62a_100009816398_100000761012 [0,0,0,0,0,1|1,0,1]=3 653 B10R0.55 COC(C)COCC=C(C)C 34a_100000690652_100000761012 [0,0,0,0,0,1|2,0,0]=3 654 B10R0.55 COC(C)SCCC=C(C)C 62a_100009879195_100011217483 [0,0,0,0,0,1|2,0,0]=3 655 B10R0.55 COC(C)SCCC=C(C)C 62a_100011217483_100009879195 [0,0,0,0,0,1|2,0,0]=3 656 B10R0.55 CO[C@H](C)CNCC=C(C)C 2230a_100020591295_100000761012 [0,0,0,0,0,1|2,0,0]=3 657 B7R0.1 C/C=C/COCC=O 34a_100016270725_200009817547 [2,0,0,0,0,0|1,0,0]=3 658 B7R0.1 C/C=C/CSCC=O 62a_100102629194_200015260668 [2,0,0,0,0,0|1,0,0]=3 659 B7R0.1 C/C=C/CSCC=O 62a_200015260668_100102629194 [2,0,0,0,0,0|1,0,0]=3 660 B7R0.1 C=CCNCC=CC 2230a_100020586998_100000070051 [2,0,0,0,0,0|2,0,0]=4 661 B7R0.1 C=CCOC/C=C/C 34a_100016270725_100015514636 [2,0,0,0,0,0|2,0,0]=4 662 B7R0.1 C=CCOC/C=C/C 34a_200000210373_100102629194 [2,0,0,0,0,0|2,0,0]=4 663 B7R0.1 C=CCOCC=CC 34a_200000210373_100000070051 [2,0,0,0,0,0|2,0,0]=4 664 B7R0.1 C=CCSC/C=C/C 62a_100000210623_100102629194 [2,0,0,0,0,0|2,0,0]=4 665 B7R0.1 C=CCSC/C=C/C 62a_100102629194_100000210623 [2,0,0,0,0,0|2,0,0]=4 666 B7R0.1 C=CCSCC=CC 62a_100000070051_100000210623 [2,0,0,0,0,0|2,0,0]=4 667 B7R0.1 C=CCSCC=CC 62a_100000210623_100000070051 [2,0,0,0,0,0|2,0,0]=4 668 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [2,0,0,0,0,0|2,0,0]=4 669 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [2,0,0,0,0,0|2,0,0]=4 670 B7R0.1 CC=CCSCC=O 62a_100000070051_200015260668 [2,0,0,0,0,0|1,0,0]=3 671 B7R0.1 CC=CCSCC=O 62a_200015260668_100000070051 [2,0,0,0,0,0|1,0,0]=3 672 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [2,0,0,0,0,0|1,0,1]=4 673 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [2,0,0,0,0,0|1,0,1]=4 674 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [2,0,0,0,0,0|1,0,1]=4 675 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [2,0,0,0,0,0|1,0,1]=4 676 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [2,0,0,0,0,0|1,0,1]=4 677 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [2,0,0,0,0,0|1,0,1]=4 678 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [2,0,0,0,0,0|1,0,1]=4 679 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [2,0,0,0,0,0|1,0,1]=4 680 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [2,0,0,0,0,0|1,0,1]=4 681 B7R0.3 C=CCCC(C)NC 270004a_106832991635_100000762624 [2,0,0,0,0,0|2,0,0]=4 682 B7R0.3 C=CCCC(C)OC 34a_100000765329_200000210301 [2,0,0,0,0,0|2,0,0]=4 683 B7R0.3 C=CCCC(C)OC 7a_100000765329_200000210301 [2,0,0,0,0,0|2,0,0]=4 684 B7R0.3 C=CCCC(C)O[13CH3] 34a_100000765329_200025704644 [2,0,0,0,0,0|2,0,0]=4 685 B7R0.3 C=CCCC(C)O[13CH3] 7a_100000765329_200025704644 [2,0,0,0,0,0|2,0,0]=4 686 B7R0.3 C=CCOC(C)C=C 34a_100000695699_100015514636 [2,0,0,0,0,0|2,0,0]=4 687 B7R0.3 C=CCSC(C)C=C 62a_100011215867_100000210623 [2,0,0,0,0,0|2,0,0]=4 688 B7R0.4 C/C=C/CNC(C)C 34a_100138425928_100102629194 [2,0,0,0,0,0|1,0,1]=4 689 B7R0.4 C/C=C/COC(C)C 34a_100000212225_100102629194 [2,0,0,0,0,0|1,0,1]=4 690 B7R0.4 C/C=C/COC(C)C 34a_100016270725_100000210206 [2,0,0,0,0,0|1,0,1]=4 691 B7R0.4 C/C=C/CSC(C)C 62a_100000210206_100102629194 [2,0,0,0,0,0|1,0,1]=4 692 B7R0.4 C/C=C/CSC(C)C 62a_100102629194_100000210206 [2,0,0,0,0,0|1,0,1]=4 693 B7R0.4 C=C(C)COCC=O 34a_100000210245_200009817547 [2,0,0,0,0,0|1,0,1]=4 694 B7R0.4 C=C(C)CSCC=O 62a_100000748629_200015260668 [2,0,0,0,0,0|1,0,1]=4 695 B7R0.4 C=C(C)CSCC=O 62a_200015260668_100000211660 [2,0,0,0,0,0|1,0,1]=4 696 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [2,0,0,0,0,0|2,0,0]=4 697 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [2,0,0,0,0,0|2,0,0]=4 698 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [2,0,0,0,0,0|2,0,0]=4 699 B7R0.4 C=CCCCN(C)C 2230a_100102631434_100011713584 [2,0,0,0,0,0|2,0,0]=4 700 B7R0.4 C=CCCCN(C)C 269982a_100102631434_100000757094 [2,0,0,0,0,0|2,0,0]=4 701 B7R0.4 CC(=CCCS[13CH3])C 62a_100011217483_200025704644 [2,0,0,0,0,0|1,0,0]=3 702 B7R0.4 CC(=CCCS[13CH3])C 62a_200025704644_100011217483 [2,0,0,0,0,0|1,0,0]=3 703 B7R0.4 CC(=CCNCF)C 34a_100000718196_100015361967 [2,0,0,0,0,0|2,0,0]=4 704 B7R0.4 CC(=CCOCF)C 34a_100000753907_100015361967 [2,0,0,0,0,0|2,0,0]=4 705 B7R0.4 CC(=CCSCF)C 62a_100000761012_100015361967 [2,0,0,0,0,0|2,0,0]=4 706 B7R0.4 CC(=CCSCF)C 62a_100015361967_100000761012 [2,0,0,0,0,0|2,0,0]=4 707 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [2,0,0,0,0,0|2,0,0]=4 708 B7R0.4 CC(C)CNCC=O 2230a_100000210953_200015260668 [2,0,0,0,0,0|1,0,1]=4 709 B7R0.4 CC(C)CNCC=O 34a_100000210953_200009817547 [2,0,0,0,0,0|1,0,1]=4 710 B7R0.4 CC(C)COCC=O 34a_100000210257_200009817547 [2,0,0,0,0,0|1,0,1]=4 711 B7R0.4 CC(C)CSCC=O 62a_100000210624_200015260668 [2,0,0,0,0,0|1,0,1]=4 712 B7R0.4 CC(C)CSCC=O 62a_200015260668_100000210760 [2,0,0,0,0,0|1,0,1]=4 713 B7R0.4 CC=CCNC(C)C 2230a_100138425928_100000070051 [2,0,0,0,0,0|1,0,1]=4 714 B7R0.4 CC=CCNC(C)C 34a_100138425928_100000070051 [2,0,0,0,0,0|1,0,1]=4 715 B7R0.4 CC=CCOC(C)C 34a_100000212225_100000070051 [2,0,0,0,0,0|1,0,1]=4 716 B7R0.4 CC=CCSC(C)C 62a_100000070051_100000210206 [2,0,0,0,0,0|1,0,1]=4 717 B7R0.4 CC=CCSC(C)C 62a_100000210206_100000070051 [2,0,0,0,0,0|1,0,1]=4 718 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [2,0,0,0,0,0|1,0,1]=4 719 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [2,0,0,0,0,0|1,0,1]=4 720 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [2,0,0,0,0,0|1,0,1]=4 721 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [2,0,0,0,0,0|1,0,1]=4 722 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [2,0,0,0,0,0|1,0,1]=4 723 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [2,0,0,0,0,0|1,0,1]=4 724 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [2,0,0,0,0,0|1,0,1]=4 725 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [2,0,0,0,0,0|1,0,1]=4 726 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [2,0,0,0,0,0|1,0,1]=4 727 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [2,0,0,0,0,0|1,0,1]=4 728 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [2,0,0,0,0,0|1,0,1]=4 729 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [2,0,0,0,0,0|2,0,0]=4 730 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [2,0,0,0,0,0|2,0,0]=4 731 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [2,0,0,0,0,0|2,0,0]=4 732 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [2,0,0,0,0,0|2,0,0]=4 733 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [2,0,0,0,0,0|1,0,1]=4 734 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [2,0,0,0,0,0|1,0,1]=4 735 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [2,0,0,0,0,0|1,0,1]=4 736 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [2,0,0,0,0,0|1,0,1]=4 737 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [2,0,0,0,0,0|1,0,1]=4 738 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [2,0,0,0,0,0|1,0,1]=4 739 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [2,0,0,0,0,0|1,0,1]=4 740 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [2,0,0,0,0,0|1,0,1]=4 741 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [2,0,0,0,0,0|1,0,1]=4 742 B7R0.4 CCNCC=C(C)C 2230a_100015525214_100000761012 [2,0,0,0,0,0|1,0,0]=3 743 B7R0.4 CCNCC=C(C)C 34a_100000718196_100000210202 [2,0,0,0,0,0|1,0,0]=3 744 B7R0.4 CCOCC=C(C)C 34a_100000753907_100000210202 [2,0,0,0,0,0|1,0,0]=3 745 B7R0.4 CCOCC=C(C)C 34a_100121572206_100000761012 [2,0,0,0,0,0|1,0,0]=3 746 B7R0.4 CCSCC=C(C)C 62a_100000210202_100000761012 [2,0,0,0,0,0|1,0,0]=3 747 B7R0.4 CCSCC=C(C)C 62a_100000761012_100000210202 [2,0,0,0,0,0|1,0,0]=3 748 B7R0.4 CN(C)CCCC=O 2230a_100102631434_200011292268 [2,0,0,0,0,0|1,0,0]=3 749 B7R0.4 CN(C)CCCC=O 269982a_100102631434_200011292268 [2,0,0,0,0,0|1,0,0]=3 750 B7R0.4 CNCCC=C(C)C 2230a_106832991635_100011217483 [2,0,0,0,0,0|1,0,0]=3 751 B7R0.4 CNCCC=C(C)C 34a_100102657272_100011217483 [2,0,0,0,0,0|1,0,0]=3 752 B7R0.4 CNCCC=C(C)C 7a_106832991635_100011217483 [2,0,0,0,0,0|1,0,0]=3 753 B7R0.4 COCCC=C(C)C 34a_100138415774_100011217483 [2,0,0,0,0,0|1,0,0]=3 754 B7R0.4 CSCCC=C(C)C 62a_100011217483_200000210301 [2,0,0,0,0,0|1,0,0]=3 755 B7R0.4 CSCCC=C(C)C 62a_200000210301_100011217483 [2,0,0,0,0,0|1,0,0]=3 756 B9R0.5 C/C=C/COC(C)/C=C/C 34a_200102604097_100102629194 [1,1,0,0,0,0|2,0,0]=4 757 B9R0.5 C=CC[C@@H](C)OC/C=C/C 34a_100000731007_100102629194 [1,1,0,0,0,0|2,0,0]=4 758 B9R0.5 C=CC[C@@H](C)OC/C=C/C 7a_100000731007_100102629194 [1,1,0,0,0,0|2,0,0]=4 759 B9R0.5 C=CC[C@@H](C)OCC=CC 34a_100000731007_100000070051 [1,1,0,0,0,0|2,0,0]=4 760 B9R0.5 C=CC[C@@H](C)OCC=CC 7a_100000731007_100000070051 [1,1,0,0,0,0|2,0,0]=4 761 B9R0.5 CC=CCOC(C)/C=C/C 34a_200102604097_100000070051 [1,1,0,0,0,0|2,0,0]=4 762 B9R0.8 C=CC(C)C(=O)C/C=C/C 1458a_100011216780_100102629194 [1,1,0,0,0,0|1,0,1]=4 763 B9R0.8 C=CC(C)C(=O)CC=CC 1458a_100011216780_100000070051 [1,1,0,0,0,0|1,0,1]=4 764 B9R0.20 C=CC(C)(C)OC/C=C/C 34a_100011215311_100102629194 [1,1,0,0,0,0|2,0,0]=4 765 B9R0.20 C=CC(C)(C)OC/C=C/C 7a_100011215311_100102629194 [1,1,0,0,0,0|2,0,0]=4 766 B9R0.20 C=CC(C)(C)OCC=CC 34a_100011215311_100000070051 [1,1,0,0,0,0|2,0,0]=4 767 B9R0.20 C=CC(C)(C)OCC=CC 7a_100011215311_100000070051 [1,1,0,0,0,0|2,0,0]=4 768 B9R0.46 C#CC(C)OCC/C=C/C 34a_100016278192_200000035995 [1,1,0,0,0,0|1,0,1]=4 769 B9R0.46 C/C=C/CCOC(C)CC 34a_100016278192_100011215416 [1,1,0,0,0,0|1,0,1]=4 770 B9R0.46 C/C=C/CCOC(C)CO 34a_100016278192_100012180447 [1,1,0,0,0,0|0,0,2]=4 771 B9R0.46 C/C=C/CNCC(C)CO 34a_100000744482_100102629194 [1,1,0,0,0,0|0,0,2]=4 772 B9R0.46 C/C=C/COCC(C)CC 34a_100016270725_100000748023 [1,1,0,0,0,0|1,0,1]=4 773 B9R0.46 C/C=C/COCC(C)CN 34a_100000744482_100102629194 [1,1,0,0,0,0|1,0,1]=4 774 B9R0.46 C/C=C/COCC(C)OC 34a_100000690652_100102629194 [1,1,0,0,0,0|2,0,0]=4 775 B9R0.46 C/C=C/COC[C@@H](C)CC 34a_100016270725_100009816398 [1,1,0,0,0,0|1,0,1]=4 776 B9R0.46 C/C=C/COC[C@@H](C)CC 7a_100009816381_100102629194 [1,1,0,0,0,0|1,0,1]=4 777 B9R0.46 C/C=C/COC[C@@H](C)CO 34a_100016270725_100000059175 [1,1,0,0,0,0|0,0,2]=4 778 B9R0.46 C/C=C/CSCC(C)CC 62a_100000748023_100102629194 [1,1,0,0,0,0|1,0,1]=4 779 B9R0.46 C/C=C/CSCC(C)CC 62a_100102629194_100000748023 [1,1,0,0,0,0|1,0,1]=4 780 B9R0.46 C/C=C/CSC[C@@H](C)CC 62a_100009816398_100102629194 [1,1,0,0,0,0|1,0,1]=4 781 B9R0.46 C/C=C/CSC[C@@H](C)CC 62a_100102629194_100009816398 [1,1,0,0,0,0|1,0,1]=4 782 B9R0.46 C/C=C/CSC[C@@H](C)CO 62a_100000059175_100102629194 [1,1,0,0,0,0|0,0,2]=4 783 B9R0.46 C/C=C/CSC[C@@H](C)CO 62a_100102629194_100000059175 [1,1,0,0,0,0|0,0,2]=4 784 B9R0.46 C=CC(C)COC/C=C/C 34a_100011215527_100102629194 [1,1,0,0,0,0|1,0,0]=3 785 B9R0.46 C=CC(C)COC/C=C/C 7a_100011215527_100102629194 [1,1,0,0,0,0|1,0,0]=3 786 B9R0.46 C=CC(C)COCC=CC 34a_100011215527_100000070051 [1,1,0,0,0,0|1,0,0]=3 787 B9R0.46 C=CC(C)COCC=CC 7a_100011215527_100000070051 [1,1,0,0,0,0|1,0,0]=3 788 B9R0.46 C=CC(C)OC/C=C\CC 34a_100000695699_100103147603 [1,1,0,0,0,0|2,0,0]=4 789 B9R0.46 C=CC(C)SC/C=C\CC 62a_100011215867_100103147603 [1,1,0,0,0,0|2,0,0]=4 790 B9R0.46 C=CC(O)COC/C=C/C 34a_100016270725_100000730141 [1,1,0,0,0,0|2,0,0]=4 791 B9R0.46 C=CC(O)CSC/C=C/C 62a_100000730141_100102629194 [1,1,0,0,0,0|2,0,0]=4 792 B9R0.46 C=CC(O)CSC/C=C/C 62a_100102629194_100000730141 [1,1,0,0,0,0|2,0,0]=4 793 B9R0.46 C=CC(O)CSCC=CC 62a_100000070051_100000730141 [1,1,0,0,0,0|2,0,0]=4 794 B9R0.46 C=CC(O)CSCC=CC 62a_100000730141_100000070051 [1,1,0,0,0,0|2,0,0]=4 795 B9R0.46 C=C[C@H](N)COC/C=C/C 34a_100016989147_100102629194 [1,1,0,0,0,0|2,0,0]=4 796 B9R0.46 C=C[C@H](N)COCC=CC 34a_100016989147_100000070051 [1,1,0,0,0,0|2,0,0]=4 797 B9R0.46 CC=CCNCC(C)CC 2230a_100020588543_100000070051 [1,1,0,0,0,0|1,0,1]=4 798 B9R0.46 CC=CCNCC(C)CO 34a_100000744482_100000070051 [1,1,0,0,0,0|0,0,2]=4 799 B9R0.46 CC=CCNC[C@@H](C)OC 2230a_100020591295_100000070051 [1,1,0,0,0,0|2,0,0]=4 800 B9R0.46 CC=CCOCC(C)CN 34a_100000744482_100000070051 [1,1,0,0,0,0|1,0,1]=4 801 B9R0.46 CC=CCOCC(C)OC 34a_100000690652_100000070051 [1,1,0,0,0,0|2,0,0]=4 802 B9R0.46 CC=CCOC[C@@H](C)CC 7a_100009816381_100000070051 [1,1,0,0,0,0|1,0,1]=4 803 B9R0.46 CC=CCSCC(C)CC 62a_100000070051_100000748023 [1,1,0,0,0,0|1,0,1]=4 804 B9R0.46 CC=CCSCC(C)CC 62a_100000748023_100000070051 [1,1,0,0,0,0|1,0,1]=4 805 B9R0.46 CC=CCSC[C@@H](C)CC 62a_100000070051_100009816398 [1,1,0,0,0,0|1,0,1]=4 806 B9R0.46 CC=CCSC[C@@H](C)CC 62a_100009816398_100000070051 [1,1,0,0,0,0|1,0,1]=4 807 B9R0.46 CC=CCSC[C@@H](C)CO 62a_100000059175_100000070051 [1,1,0,0,0,0|0,0,2]=4 808 B9R0.46 CC=CCSC[C@@H](C)CO 62a_100000070051_100000059175 [1,1,0,0,0,0|0,0,2]=4 809 B9R0.47 C/C=C/CN[C@@H](C)C(=O)O 269956a_100000743915_100102629194 [1,1,0,0,0,0|1,0,0]=3 810 B9R0.47 C/C=C/CN[C@H](C)C(=O)N 34a_100000119354_100102629194 [1,1,0,0,0,0|1,0,0]=3 811 B9R0.47 C/C=C/COC(C)C(=O)C 34a_100000212229_100102629194 [1,1,0,0,0,0|1,0,0]=3 812 B9R0.47 C/C=C/COC(C)C(=O)N 34a_100016270725_100000702099 [1,1,0,0,0,0|1,0,0]=3 813 B9R0.47 C/C=C/COC(F)C(=O)N 34a_100016270725_100009813875 [1,1,0,0,0,0|2,0,0]=4 814 B9R0.47 C/C=C/COC(F)C(=O)[O-] 34a_100016270725_100020610796 [1,1,0,0,0,0|2,0,0]=4 815 B9R0.47 C/C=C/CO[C@@H](C)C(=O)[O-] 7a_217856618621_100102629194 [1,1,0,0,0,0|1,0,0]=3 816 B9R0.47 C/C=C/CO[C@H](C)C(=O)N 34a_100000731257_100102629194 [1,1,0,0,0,0|1,0,0]=3 817 B9R0.47 C/C=C/CO[C@H](C)C(=O)N 7a_100000731257_100102629194 [1,1,0,0,0,0|1,0,0]=3 818 B9R0.47 C/C=C/CSC(C)C(=O)C 62a_100009814033_100102629194 [1,1,0,0,0,0|1,0,0]=3 819 B9R0.47 C/C=C/CSC(C)C(=O)C 62a_100102629194_100009814033 [1,1,0,0,0,0|1,0,0]=3 820 B9R0.47 C/C=C/CSC(C)C(=O)N 62a_100000702099_100102629194 [1,1,0,0,0,0|1,0,0]=3 821 B9R0.47 C/C=C/CSC(C)C(=O)N 62a_100102629194_100000702099 [1,1,0,0,0,0|1,0,0]=3 822 B9R0.47 C/C=C/CSC(F)C(=O)N 62a_100009813875_100102629194 [1,1,0,0,0,0|2,0,0]=4 823 B9R0.47 C/C=C/CSC(F)C(=O)N 62a_100102629194_100009813875 [1,1,0,0,0,0|2,0,0]=4 824 B9R0.47 C/C=C/CSC(F)C(=O)[O-] 62a_100020610796_100102629194 [1,1,0,0,0,0|2,0,0]=4 825 B9R0.47 C/C=C/CSC(F)C(=O)[O-] 62a_100102629194_100020610796 [1,1,0,0,0,0|2,0,0]=4 826 B9R0.47 CC=CCN[C@H](C)C(=O)N 2230a_100000119354_100000070051 [1,1,0,0,0,0|1,0,0]=3 827 B9R0.47 CC=CCN[C@H](C)C(=O)N 34a_100000119354_100000070051 [1,1,0,0,0,0|1,0,0]=3 828 B9R0.47 CC=CCOC(C)C(=O)C 34a_100000212229_100000070051 [1,1,0,0,0,0|1,0,0]=3 829 B9R0.47 CC=CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000070051 [1,1,0,0,0,0|1,0,0]=3 830 B9R0.47 CC=CCO[C@H](C)C(=O)N 34a_100000731257_100000070051 [1,1,0,0,0,0|1,0,0]=3 831 B9R0.47 CC=CCO[C@H](C)C(=O)N 7a_100000731257_100000070051 [1,1,0,0,0,0|1,0,0]=3 832 B9R0.47 CC=CCSC(C)C(=O)C 62a_100000070051_100009814033 [1,1,0,0,0,0|1,0,0]=3 833 B9R0.47 CC=CCSC(C)C(=O)C 62a_100009814033_100000070051 [1,1,0,0,0,0|1,0,0]=3 834 B9R0.47 CC=CCSC(C)C(=O)N 62a_100000070051_100000702099 [1,1,0,0,0,0|1,0,0]=3 835 B9R0.47 CC=CCSC(C)C(=O)N 62a_100000702099_100000070051 [1,1,0,0,0,0|1,0,0]=3 836 B9R0.47 CC=CCSC(F)C(=O)N 62a_100000070051_100009813875 [1,1,0,0,0,0|2,0,0]=4 837 B9R0.47 CC=CCSC(F)C(=O)N 62a_100009813875_100000070051 [1,1,0,0,0,0|2,0,0]=4 838 B9R0.47 CC=CCSC(F)C(=O)[O-] 62a_100000070051_100020610796 [1,1,0,0,0,0|2,0,0]=4 839 B9R0.47 CC=CCSC(F)C(=O)[O-] 62a_100020610796_100000070051 [1,1,0,0,0,0|2,0,0]=4 840 B9R0.47 CCCCCC(C)C(=O)C 1458a_100000070787_200011218191 [1,1,0,0,0,0|0,0,2]=4 841 B9R0.47 CCCCCC(C)C(=O)C 1458a_100011215998_200000210301 [1,1,0,0,0,0|0,0,2]=4 842 B9R0.47 CCCCCC(C)C(=O)[13CH3] 1458a_100011215998_200025704644 [1,1,0,0,0,0|0,0,2]=4 843 B9R0.50 C/C=C/COC(C=O)C=O 34a_100016270725_100000736813 [1,1,0,0,0,0|1,0,1]=4 844 B9R0.50 C/C=C/CSC(C=O)C=O 62a_100000736813_100102629194 [1,1,0,0,0,0|1,0,1]=4 845 B9R0.50 C/C=C/CSC(C=O)C=O 62a_100102629194_100000736813 [1,1,0,0,0,0|1,0,1]=4 846 B9R0.50 C=CC(CC)OC/C=C/C 34a_100000766422_100102629194 [1,1,0,0,0,0|2,0,0]=4 847 B9R0.50 C=CC(CC)OC/C=C/C 7a_100000766422_100102629194 [1,1,0,0,0,0|2,0,0]=4 848 B9R0.50 C=CC(CC)OCC=CC 34a_100000766422_100000070051 [1,1,0,0,0,0|2,0,0]=4 849 B9R0.50 C=CC(CC)OCC=CC 7a_100000766422_100000070051 [1,1,0,0,0,0|2,0,0]=4 850 B9R0.50 C=C[C@@H](CO)NC/C=C/C 34a_100016989147_100102629194 [1,1,0,0,0,0|2,0,0]=4 851 B9R0.50 C=C[C@@H](CO)NCC=CC 2230a_100016989147_100000070051 [1,1,0,0,0,0|2,0,0]=4 852 B9R0.50 C=C[C@@H](CO)NCC=CC 34a_100016989147_100000070051 [1,1,0,0,0,0|2,0,0]=4 853 B9R0.50 CC=CCSC(C=O)C=O 62a_100000070051_100000736813 [1,1,0,0,0,0|1,0,1]=4 854 B9R0.50 CC=CCSC(C=O)C=O 62a_100000736813_100000070051 [1,1,0,0,0,0|1,0,1]=4 855 B9R0.2 C#CCCNCC=C(C)C 34a_100000718196_100000688953 [1,1,0,0,0,0|1,0,1]=4 856 B9R0.2 C#CCCNCC=C(C)C 34a_100000755551_100000761012 [1,1,0,0,0,0|1,0,1]=4 857 B9R0.2 C#CCCOCC=C(C)C 34a_100000753907_100000688953 [1,1,0,0,0,0|1,0,1]=4 858 B9R0.2 C#CCCOCC=C(C)C 34a_100011215631_100000761012 [1,1,0,0,0,0|1,0,1]=4 859 B9R0.2 C#CCCSCC=C(C)C 62a_100000688953_100000761012 [1,1,0,0,0,0|1,0,1]=4 860 B9R0.2 C#CCCSCC=C(C)C 62a_100000761012_100000688953 [1,1,0,0,0,0|1,0,1]=4 861 B9R0.2 C#CCNCCC=C(C)C 34a_100000212058_100011217483 [1,1,0,0,0,0|1,0,1]=4 862 B9R0.2 C#CCOCCC=C(C)C 34a_100000210247_100011217483 [1,1,0,0,0,0|1,0,1]=4 863 B9R0.2 C#CCSCCC=C(C)C 62a_100000038162_100011217483 [1,1,0,0,0,0|1,0,1]=4 864 B9R0.2 C/C=C/CNCC=C(C)C 34a_100000718196_100102629194 [1,1,0,0,0,0|1,0,1]=4 865 B9R0.2 C/C=C/COCC=C(C)C 34a_100000753907_100102629194 [1,1,0,0,0,0|1,0,1]=4 866 B9R0.2 C/C=C/COCC=C(C)C 34a_100016270725_100000761012 [1,1,0,0,0,0|1,0,1]=4 867 B9R0.2 C/C=C/CSCC=C(C)C 62a_100000761012_100102629194 [1,1,0,0,0,0|1,0,1]=4 868 B9R0.2 C/C=C/CSCC=C(C)C 62a_100102629194_100000761012 [1,1,0,0,0,0|1,0,1]=4 869 B9R0.2 C=C(C)CSCCCC=O 62a_100000748629_200011292268 [1,1,0,0,0,0|0,0,2]=4 870 B9R0.2 C=C(C)CSCCCC=O 62a_200011292268_100000211660 [1,1,0,0,0,0|0,0,2]=4 871 B9R0.2 C=CCCNCC=C(C)C 2230a_100015191253_100000761012 [1,1,0,0,0,0|1,0,0]=3 872 B9R0.2 C=CCCNCC=C(C)C 34a_100000718196_100000754431 [1,1,0,0,0,0|1,0,0]=3 873 B9R0.2 C=CCCOCC=C(C)C 34a_100000753907_100000754431 [1,1,0,0,0,0|1,0,0]=3 874 B9R0.2 C=CCCOCC=C(C)C 34a_100011205117_100000761012 [1,1,0,0,0,0|1,0,0]=3 875 B9R0.2 C=CCCSCC=C(C)C 62a_100000754431_100000761012 [1,1,0,0,0,0|1,0,0]=3 876 B9R0.2 C=CCCSCC=C(C)C 62a_100000761012_100000754431 [1,1,0,0,0,0|1,0,0]=3 877 B9R0.2 C=CCNCCC=C(C)C 2230a_100020586998_100011217483 [1,1,0,0,0,0|1,0,0]=3 878 B9R0.2 C=CCOCCC=C(C)C 34a_200000210373_100011217483 [1,1,0,0,0,0|1,0,0]=3 879 B9R0.2 C=CCSCCC=C(C)C 62a_100000210623_100011217483 [1,1,0,0,0,0|1,0,0]=3 880 B9R0.2 C=CCSCCC=C(C)C 62a_100011217483_100000210623 [1,1,0,0,0,0|1,0,0]=3 881 B9R0.2 CC(=CCCNCCF)C 34a_100000724931_100011217483 [1,1,0,0,0,0|1,0,1]=4 882 B9R0.2 CC(=CCCNCCO)C 2230a_100016997473_100011217483 [1,1,0,0,0,0|0,0,2]=4 883 B9R0.2 CC(=CCCNCCO)C 34a_100016990907_100011217483 [1,1,0,0,0,0|0,0,2]=4 884 B9R0.2 CC(=CCCOCCBr)C 34a_100000211926_100011217483 [1,1,0,0,0,0|1,0,1]=4 885 B9R0.2 CC(=CCCOCCN)C 34a_100000210304_100011217483 [1,1,0,0,0,0|1,0,1]=4 886 B9R0.2 CC(=CCCSCC#N)C 62a_100011215382_100011217483 [1,1,0,0,0,0|1,0,1]=4 887 B9R0.2 CC(=CCCSCC#N)C 62a_100011217483_100011215382 [1,1,0,0,0,0|1,0,1]=4 888 B9R0.2 CC(=CCCSCC=O)C 62a_100011217483_200015260668 [1,1,0,0,0,0|0,0,0]=2 889 B9R0.2 CC(=CCCSCC=O)C 62a_200015260668_100011217483 [1,1,0,0,0,0|0,0,0]=2 890 B9R0.2 CC(=CCCSCCF)C 62a_100011217306_100011217483 [1,1,0,0,0,0|1,0,1]=4 891 B9R0.2 CC(=CCCSCCF)C 62a_100011217483_100011217306 [1,1,0,0,0,0|1,0,1]=4 892 B9R0.2 CC(=CCCSCCO)C 62a_100000211926_100011217483 [1,1,0,0,0,0|0,0,2]=4 893 B9R0.2 CC(=CCCSCCO)C 62a_100011217483_100000211926 [1,1,0,0,0,0|0,0,2]=4 894 B9R0.2 CC(=CCNCCCF)C 2230a_100015189416_100000761012 [1,1,0,0,0,0|1,0,1]=4 895 B9R0.2 CC(=CCNCCCF)C 34a_100000718196_100011934791 [1,1,0,0,0,0|1,0,1]=4 896 B9R0.2 CC(=CCNCCCF)C 34a_100015189416_100000761012 [1,1,0,0,0,0|1,0,1]=4 897 B9R0.2 CC(=CCNCCCO)C 34a_100000718196_100000230001 [1,1,0,0,0,0|0,0,2]=4 898 B9R0.2 CC(=CCOCCCBr)C 34a_100011217188_100000761012 [1,1,0,0,0,0|1,0,1]=4 899 B9R0.2 CC(=CCOCCCCl)C 34a_100000230001_100000761012 [1,1,0,0,0,0|1,0,1]=4 900 B9R0.2 CC(=CCOCCCF)C 34a_100000753907_100011934791 [1,1,0,0,0,0|1,0,1]=4 901 B9R0.2 CC(=CCOCCCF)C 34a_100000759539_100000761012 [1,1,0,0,0,0|1,0,1]=4 902 B9R0.2 CC(=CCOCCCN)C 34a_100000182051_100000761012 [1,1,0,0,0,0|1,0,1]=4 903 B9R0.2 CC(=CCOCCCO)C 34a_100000753907_100000230001 [1,1,0,0,0,0|0,0,2]=4 904 B9R0.2 CC(=CCOCCON)C 34a_100000700252_100000761012 [1,1,0,0,0,0|2,0,0]=4 905 B9R0.2 CC(=CCSCCC#N)C 62a_100000761012_100011215226 [1,1,0,0,0,0|1,0,1]=4 906 B9R0.2 CC(=CCSCCC#N)C 62a_100011215226_100000761012 [1,1,0,0,0,0|1,0,1]=4 907 B9R0.2 CC(=CCSCCCF)C 62a_100000761012_100011934791 [1,1,0,0,0,0|1,0,1]=4 908 B9R0.2 CC(=CCSCCCF)C 62a_100011934791_100000761012 [1,1,0,0,0,0|1,0,1]=4 909 B9R0.2 CC(=CCSCCCO)C 62a_100000761012_100011215043 [1,1,0,0,0,0|0,0,2]=4 910 B9R0.2 CC(=CCSCCCO)C 62a_100011215043_100000761012 [1,1,0,0,0,0|0,0,2]=4 911 B9R0.2 CC(=O)CCCOCC=O 34a_100000759063_200009817547 [1,1,0,0,0,0|1,0,1]=4 912 B9R0.2 CC(=O)CCCOCC=O 7a_100000759063_200015260668 [1,1,0,0,0,0|1,0,1]=4 913 B9R0.2 CC(=O)CCCSCC=O 62a_100011215641_200015260668 [1,1,0,0,0,0|1,0,1]=4 914 B9R0.2 CC(=O)CCCSCC=O 62a_200015260668_100011215641 [1,1,0,0,0,0|1,0,1]=4 915 B9R0.2 CC(=O)NCCNCC=O 2230a_100000209853_200015260668 [1,1,0,0,0,0|2,0,0]=4 916 B9R0.2 CC(=O)NCCOCC=O 34a_100000158858_200009817547 [1,1,0,0,0,0|2,0,0]=4 917 B9R0.2 CC(=O)NCCSCC=O 62a_100000189650_200015260668 [1,1,0,0,0,0|2,0,0]=4 918 B9R0.2 CC(=O)NCCSCC=O 62a_200015260668_100000189650 [1,1,0,0,0,0|2,0,0]=4 919 B9R0.2 CC(=O)OCCSCC=O 62a_100009814007_200015260668 [1,1,0,0,0,0|2,0,0]=4 920 B9R0.2 CC(=O)OCCSCC=O 62a_200015260668_100009814007 [1,1,0,0,0,0|2,0,0]=4 921 B9R0.2 CC(C)CCCNCC=O 2230a_200000737386_200015260668 [1,1,0,0,0,0|0,0,2]=4 922 B9R0.2 CC(C)CCCNCC=O 34a_200000737386_200009817547 [1,1,0,0,0,0|0,0,2]=4 923 B9R0.2 CC(C)CCCOCC=O 34a_100000210774_200009817547 [1,1,0,0,0,0|0,0,2]=4 924 B9R0.2 CC(C)CCCOCC=O 7a_100000210774_200015260668 [1,1,0,0,0,0|0,0,2]=4 925 B9R0.2 CC(C)CCCSCC=O 62a_100011214892_200015260668 [1,1,0,0,0,0|0,0,2]=4 926 B9R0.2 CC(C)CCCSCC=O 62a_200015260668_100011214892 [1,1,0,0,0,0|0,0,2]=4 927 B9R0.2 CC(C)CNCCCC=O 2230a_100000210953_200011292268 [1,1,0,0,0,0|0,0,2]=4 928 B9R0.2 CC(C)CSCCCC=O 62a_100000210624_200011292268 [1,1,0,0,0,0|0,0,2]=4 929 B9R0.2 CC(C)CSCCCC=O 62a_200011292268_100000210760 [1,1,0,0,0,0|0,0,2]=4 930 B9R0.2 CC(C)NCCCCC=O 2230a_100138425928_100000139335 [1,1,0,0,0,0|0,0,2]=4 931 B9R0.2 CC(C)NCCOCC=O 34a_100000224655_200009817547 [1,1,0,0,0,0|1,0,1]=4 932 B9R0.2 CC(C)OCCNCC=O 2230a_100000701111_200015260668 [1,1,0,0,0,0|1,0,1]=4 933 B9R0.2 CC(C)OCCNCC=O 34a_100000701111_200009817547 [1,1,0,0,0,0|1,0,1]=4 934 B9R0.2 CC(C)OCCOCC=O 34a_100000211219_200009817547 [1,1,0,0,0,0|1,0,1]=4 935 B9R0.2 CC(C)OCCOCC=O 7a_100000211219_200015260668 [1,1,0,0,0,0|1,0,1]=4 936 B9R0.2 CC(C)OCCSCC=O 62a_100000211751_200015260668 [1,1,0,0,0,0|1,0,1]=4 937 B9R0.2 CC(C)OCCSCC=O 62a_200015260668_100000211751 [1,1,0,0,0,0|1,0,1]=4 938 B9R0.2 CC(C)SCCCCC=O 62a_100000139335_100000210206 [1,1,0,0,0,0|0,0,2]=4 939 B9R0.2 CC(C)SCCCCC=O 62a_100000210206_100000139335 [1,1,0,0,0,0|0,0,2]=4 940 B9R0.2 CC(C)SCCNCC=O 2230a_100000731138_200015260668 [1,1,0,0,0,0|1,0,1]=4 941 B9R0.2 CC(C)SCCNCC=O 34a_100000731138_200009817547 [1,1,0,0,0,0|1,0,1]=4 942 B9R0.2 CC(C)SCCOCC=O 34a_200011212901_200009817547 [1,1,0,0,0,0|1,0,1]=4 943 B9R0.2 CC(C)SCCOCC=O 7a_200011212901_200015260668 [1,1,0,0,0,0|1,0,1]=4 944 B9R0.2 CC(C)SCCSCC=O 62a_100000730970_200015260668 [1,1,0,0,0,0|1,0,1]=4 945 B9R0.2 CC(C)SCCSCC=O 62a_200015260668_100000730970 [1,1,0,0,0,0|1,0,1]=4 946 B9R0.2 CC=CCNCC=C(C)C 34a_100000718196_100000070051 [1,1,0,0,0,0|1,0,1]=4 947 B9R0.2 CC=CCOCC=C(C)C 34a_100000753907_100000070051 [1,1,0,0,0,0|1,0,1]=4 948 B9R0.2 CC=CCSCC=C(C)C 62a_100000070051_100000761012 [1,1,0,0,0,0|1,0,1]=4 949 B9R0.2 CC=CCSCC=C(C)C 62a_100000761012_100000070051 [1,1,0,0,0,0|1,0,1]=4 950 B9R0.2 CCCCNCC=C(C)C 2230a_100000102301_100000761012 [1,1,0,0,0,0|1,0,1]=4 951 B9R0.2 CCCCNCC=C(C)C 34a_100000718196_100000210210 [1,1,0,0,0,0|1,0,1]=4 952 B9R0.2 CCCCNCC=C(C)C 7a_106832991798_100000761012 [1,1,0,0,0,0|1,0,1]=4 953 B9R0.2 CCCCOCC=C(C)C 34a_100000210227_100000761012 [1,1,0,0,0,0|1,0,1]=4 954 B9R0.2 CCCCOCC=C(C)C 34a_100000753907_100000210210 [1,1,0,0,0,0|1,0,1]=4 955 B9R0.2 CCCCOCC=C(C)C 7a_100000210227_100000761012 [1,1,0,0,0,0|1,0,1]=4 956 B9R0.2 CCCCSCC=C(C)C 62a_100000210211_100000761012 [1,1,0,0,0,0|1,0,1]=4 957 B9R0.2 CCCCSCC=C(C)C 62a_100000761012_100000210210 [1,1,0,0,0,0|1,0,1]=4 958 B9R0.2 CCCOCCC=C(C)C 34a_100000210258_100011217483 [1,1,0,0,0,0|1,0,1]=4 959 B9R0.2 CCCSCCC=C(C)C 62a_100000210303_100011217483 [1,1,0,0,0,0|1,0,1]=4 960 B9R0.2 CCCSCCC=C(C)C 62a_100011217483_100000210303 [1,1,0,0,0,0|1,0,1]=4 961 B9R0.2 CN(C)CCCCCC=O 2230a_100102631434_100000139337 [1,1,0,0,0,0|1,0,1]=4 962 B9R0.2 CN(C)CCCCCC=O 269982a_100102631434_100000139337 [1,1,0,0,0,0|1,0,1]=4 963 B9R0.2 CN(C)CCCSCC=O 62a_200015260668_100000757444 [1,1,0,0,0,0|1,0,1]=4 964 B9R0.2 COCCNCC=C(C)C 2230a_100000209980_100000761012 [1,1,0,0,0,0|2,0,0]=4 965 B9R0.2 COCCNCC=C(C)C 34a_100000718196_100011201679 [1,1,0,0,0,0|2,0,0]=4 966 B9R0.2 COCCOCC=C(C)C 34a_100000210237_100000761012 [1,1,0,0,0,0|2,0,0]=4 967 B9R0.2 COCCOCC=C(C)C 34a_100000753907_100011201679 [1,1,0,0,0,0|2,0,0]=4 968 B9R0.2 COCCSCC=C(C)C 62a_100000233755_100000761012 [1,1,0,0,0,0|2,0,0]=4 969 B9R0.2 COCCSCC=C(C)C 62a_100000761012_100000233755 [1,1,0,0,0,0|2,0,0]=4 970 B9R0.2 COCSCCC=C(C)C 62a_100000766300_100011217483 [1,1,0,0,0,0|2,0,0]=4 971 B9R0.2 COCSCCC=C(C)C 62a_100011217483_100000766300 [1,1,0,0,0,0|2,0,0]=4 972 B9R0.2 CSCCNCC=C(C)C 2230a_100020590264_100000761012 [1,1,0,0,0,0|2,0,0]=4 973 B9R0.2 CSCCNCC=C(C)C 34a_100000718196_100000212216 [1,1,0,0,0,0|2,0,0]=4 974 B9R0.2 CSCCOCC=C(C)C 34a_100000230434_100000761012 [1,1,0,0,0,0|2,0,0]=4 975 B9R0.2 CSCCOCC=C(C)C 34a_100000753907_100000212216 [1,1,0,0,0,0|2,0,0]=4 976 B9R0.2 CSCCOCC=C(C)C 7a_100000230434_100000761012 [1,1,0,0,0,0|2,0,0]=4 977 B9R0.2 CSCCSCC=C(C)C 62a_100000212216_100000761012 [1,1,0,0,0,0|2,0,0]=4 978 B9R0.2 CSCCSCC=C(C)C 62a_100000761012_100000751147 [1,1,0,0,0,0|2,0,0]=4 979 B9R0.2 CSCSCCC=C(C)C 62a_100011217483_100011218213 [1,1,0,0,0,0|2,0,0]=4 980 B9R0.2 CSCSCCC=C(C)C 62a_100011218213_100011217483 [1,1,0,0,0,0|2,0,0]=4 981 B9R0.2 O=CCSCCC=C(F)F 62a_200009816681_200015260668 [1,1,0,0,0,0|2,0,0]=4 982 B9R0.2 O=CCSCCC=C(F)F 62a_200015260668_200009816681 [1,1,0,0,0,0|2,0,0]=4 983 B9R0.4 C=CCCC(=O)C=C(C)C 1458a_100000211388_100000754431 [1,1,0,0,0,0|1,0,1]=4 984 B9R0.4 C=CCOC(C)C=C(C)C 34a_100000717055_100015514636 [1,1,0,0,0,0|2,0,0]=4 985 B9R0.4 CC(=CC(C)OCC=O)C 34a_100000717055_200009817547 [1,1,0,0,0,0|1,0,0]=3 986 B9R0.38 CC(C)(C)NCCCC=O 2230a_100000715429_200011292268 [1,1,0,0,0,0|1,0,1]=4 987 B9R0.38 CC(C)(C)OCCCC=O 7a_100015890283_200011292268 [1,1,0,0,0,0|1,0,1]=4 988 B9R0.38 CC(C)(C)SCCCC=O 62a_100000211941_200011292268 [1,1,0,0,0,0|1,0,1]=4 989 B9R0.38 CC(C)(C)SCCCC=O 62a_200011292268_100000211941 [1,1,0,0,0,0|1,0,1]=4 990 B9R0.48 C=CCC(=O)CC=C(C)C 1458a_100000210193_100000761012 [1,1,0,0,0,0|1,0,1]=4 991 B9R0.48 C=CCC(=O)CC=C(C)C 1458a_100011220947_100000210623 [1,1,0,0,0,0|1,0,1]=4 992 B9R0.48 C=CCN(C)CC=C(C)C 2230a_100000225617_100000761012 [1,1,0,0,0,0|2,0,0]=4 993 B9R0.48 C=CCN(C)CC=C(C)C 269982a_100000225617_100000761012 [1,1,0,0,0,0|2,0,0]=4 994 B9R0.55 C=C(C)CNCC=C(C)C 34a_100000718196_100000748629 [1,1,0,0,0,0|2,0,0]=4 995 B9R0.55 C=C(C)COCC=C(C)C 34a_100000210245_100000761012 [1,1,0,0,0,0|2,0,0]=4 996 B9R0.55 C=C(C)COCC=C(C)C 34a_100000753907_100000748629 [1,1,0,0,0,0|2,0,0]=4 997 B9R0.55 C=C(C)CSCC=C(C)C 62a_100000748629_100000761012 [1,1,0,0,0,0|2,0,0]=4 998 B9R0.55 C=C(C)CSCC=C(C)C 62a_100000761012_100000211660 [1,1,0,0,0,0|2,0,0]=4 999 B9R0.55 C=C(F)CNCC=C(C)C 34a_100000718196_100009893438 [1,1,0,0,0,0|2,0,0]=4 1000 B9R0.55 C=C(F)COCC=C(C)C 34a_100000753907_100009893438 [1,1,0,0,0,0|2,0,0]=4 1001 B9R0.55 C=C(F)COCC=C(C)C 34a_200010262243_100000761012 [1,1,0,0,0,0|2,0,0]=4 1002 B9R0.55 C=C(F)CSCC=C(C)C 62a_100000042424_100000761012 [1,1,0,0,0,0|2,0,0]=4 1003 B9R0.55 C=C(F)CSCC=C(C)C 62a_100000761012_100000042424 [1,1,0,0,0,0|2,0,0]=4 1004 B9R0.55 CC(=CCNCC(=O)N)C 2230a_100000711301_100000761012 [1,1,0,0,0,0|1,0,0]=3 1005 B9R0.55 CC(=CCNCC(=O)N)C 34a_100000718196_100000187820 [1,1,0,0,0,0|1,0,0]=3 1006 B9R0.55 CC(=CCNCC(=O)O)C 269956a_100016091260_100000761012 [1,1,0,0,0,0|1,0,0]=3 1007 B9R0.55 CC(=CCNCC(=O)[O-])C 34a_100000718196_100020667443 [1,1,0,0,0,0|1,0,0]=3 1008 B9R0.55 CC(=CCNC[N+](=O)[O-])C 34a_100000718196_100000761209 [1,1,0,0,0,0|2,0,0]=4 1009 B9R0.55 CC(=CCOCC(=O)N)C 34a_100000753907_100000187820 [1,1,0,0,0,0|1,0,0]=3 1010 B9R0.55 CC(=CCOCC(=O)[O-])C 34a_100000753907_100020667443 [1,1,0,0,0,0|1,0,0]=3 1011 B9R0.55 CC(=CCOC[N+](=O)[O-])C 34a_100000753907_100000761209 [1,1,0,0,0,0|2,0,0]=4 1012 B9R0.55 CC(=CCSCC(=O)N)C 62a_100000747473_100000761012 [1,1,0,0,0,0|1,0,0]=3 1013 B9R0.55 CC(=CCSCC(=O)N)C 62a_100000761012_100000747473 [1,1,0,0,0,0|1,0,0]=3 1014 B9R0.55 CC(=CCSCC(=O)[O-])C 62a_100000761012_100020667443 [1,1,0,0,0,0|1,0,0]=3 1015 B9R0.55 CC(=CCSCC(=O)[O-])C 62a_100020667443_100000761012 [1,1,0,0,0,0|1,0,0]=3 1016 B9R0.55 CC(=CCSC[N+](=O)[O-])C 62a_100000761012_100000761209 [1,1,0,0,0,0|2,0,0]=4 1017 B9R0.55 CC(=O)CCCCC(=O)C 1458a_100000070787_100000735457 [1,1,0,0,0,0|1,0,1]=4 1018 B9R0.55 CC(=O)CCCCC(C)C 1458a_100000070787_100011216152 [1,1,0,0,0,0|0,0,2]=4 1019 B9R0.55 CC(=O)CCCCC(C)C 1458a_100011933920_200000210301 [1,1,0,0,0,0|0,0,2]=4 1020 B9R0.55 CC(=O)CCCCN(C)C 269982a_100102631434_100000735457 [1,1,0,0,0,0|1,0,1]=4 1021 B9R0.55 CC(=O)CCCNC(=O)C 1458a_100000194741_200000210301 [1,1,0,0,0,0|2,0,0]=4 1022 B9R0.55 CC(=O)CCCNC(C)C 34a_100138425928_100000685027 [1,1,0,0,0,0|1,0,1]=4 1023 B9R0.55 CC(=O)CCCOC(=O)C 1458a_100000070787_100000042594 [1,1,0,0,0,0|2,0,0]=4 1024 B9R0.55 CC(=O)CCCOC(=S)C 1458a_100000070787_200135323944 [1,1,0,0,0,0|2,0,0]=4 1025 B9R0.55 CC(=O)CCCOC(C)C 34a_100000212225_100000685027 [1,1,0,0,0,0|1,0,1]=4 1026 B9R0.55 CC(=O)CCCOC(C)C 34a_100000759063_100000210206 [1,1,0,0,0,0|1,0,1]=4 1027 B9R0.55 CC(=O)CCCOC(C)C 7a_100000759063_100000210206 [1,1,0,0,0,0|1,0,1]=4 1028 B9R0.55 CC(=O)CCCSC(=O)C 1458a_100000070787_100000038929 [1,1,0,0,0,0|2,0,0]=4 1029 B9R0.55 CC(=O)CCCSC(C)C 62a_100000210206_100011215641 [1,1,0,0,0,0|1,0,1]=4 1030 B9R0.55 CC(=O)CCCSC(C)C 62a_100011215641_100000210206 [1,1,0,0,0,0|1,0,1]=4 1031 B9R0.55 CC(=O)COCC=C(C)C 34a_100000211253_100000761012 [1,1,0,0,0,0|1,0,0]=3 1032 B9R0.55 CC(=O)NCCCC(=O)N 240690a_100000739312_100015343762 [1,1,0,0,0,0|2,0,0]=4 1033 B9R0.55 CC(=O)NCCCC(=O)N 527a_100000739312_100103153847 [1,1,0,0,0,0|2,0,0]=4 1034 B9R0.55 CC(=O)NCCCC(=O)[13CH3] 1458a_100000194741_200025704644 [1,1,0,0,0,0|2,0,0]=4 1035 B9R0.55 CC(C)CCCCC(=O)[13CH3] 1458a_100011933920_200025704644 [1,1,0,0,0,0|0,0,2]=4 1036 B9R0.55 CC(C)NCCCC(=O)N 34a_100000739312_100000210206 [1,1,0,0,0,0|1,0,1]=4 1037 B9R0.55 CC(C)NCCCC(=O)N 34a_100138425928_100102525003 [1,1,0,0,0,0|1,0,1]=4 1038 B9R0.55 CC(C)OCCCC(=O)N 34a_100000212225_100102525003 [1,1,0,0,0,0|1,0,1]=4 1039 B9R0.55 CC(C)SCCCC(=O)N 62a_100000210206_100102525003 [1,1,0,0,0,0|1,0,1]=4 1040 B9R0.55 CC(C)SCCCC(=O)N 62a_100102525003_100000210206 [1,1,0,0,0,0|1,0,1]=4 1041 B9R0.7 C=C(C)C(=O)CC=C(C)C 1458a_100000185857_100000761012 [1,1,0,0,0,0|0,0,2]=4 1042 B9R0.7 C=C(C)C(=O)CCC(C)C 1458a_100000185857_100000210312 [1,1,0,0,0,0|0,0,2]=4 1043 B9R0.7 C=C(C)C(=O)CCC(C)O 1458a_100000185857_100012276601 [1,1,0,0,0,0|0,0,2]=4 1044 B9R0.7 C=C(C)CCC(=O)C(=C)C 1458a_100000185857_100000730704 [1,1,0,0,0,0|0,0,2]=4 1045 B9R0.7 C=C(C)CCC(=O)C(C)C 1458a_100000210198_100000730704 [1,1,0,0,0,0|0,0,2]=4 1046 B9R0.7 C=C(C)CCC(=O)C(C)C 1458a_200000688413_100000210206 [1,1,0,0,0,0|0,0,2]=4 1047 B9R0.7 C=C(C)CCC(=O)N(C)C 11a_100102631434_200000688413 [1,1,0,0,0,0|1,0,1]=4 1048 B9R0.7 C=C(C)CCC(=O)N(C)C 1626a_100102631434_200000688413 [1,1,0,0,0,0|1,0,1]=4 1049 B9R0.7 C=C(C)CCC(=O)N(C)C 240690a_100102631434_200000688413 [1,1,0,0,0,0|1,0,1]=4 1050 B9R0.7 C=C(C)CCC(=O)N(C)C 527a_100102631434_200000688413 [1,1,0,0,0,0|1,0,1]=4 1051 B9R0.7 CC(=CCC(=O)C(C)C)C 1458a_100000210198_100000761012 [1,1,0,0,0,0|0,0,2]=4 1052 B9R0.7 CC(=CCC(=O)C(C)C)C 1458a_100011220947_100000210206 [1,1,0,0,0,0|0,0,2]=4 1053 B9R0.7 CC(=CCC(=O)C(C)F)C 1458a_100000062450_100000761012 [1,1,0,0,0,0|1,0,1]=4 1054 B9R0.7 CC(=CCC(=O)[C@@H](C)O)C 1458a_100000717761_100000761012 [1,1,0,0,0,0|0,0,2]=4 1055 B9R0.7 CC(=CCC(=O)[C@H](C)O)C 1458a_217856618621_100000761012 [1,1,0,0,0,0|0,0,2]=4 1056 B9R0.7 CC(=CCN(C)C(C)C)C 269982a_200000211004_100000761012 [1,1,0,0,0,0|1,0,1]=4 1057 B9R0.7 CC(=O)CCC(=O)N(C)C 1458a_100011200748_200000210301 [1,1,0,0,0,0|1,0,1]=4 1058 B9R0.7 CC(C)CCC(=O)C(C)C 1458a_100000181311_100000210206 [1,1,0,0,0,0|0,0,2]=4 1059 B9R0.7 CC(C)CCC(=O)C(C)C 1458a_100000210198_100000210312 [1,1,0,0,0,0|0,0,2]=4 1060 B9R0.7 CC(C)CCC(=O)N(C)C 11a_100102631434_100000181311 [1,1,0,0,0,0|1,0,1]=4 1061 B9R0.7 CC(C)CCC(=O)N(C)C 1626a_100102631434_100000181311 [1,1,0,0,0,0|1,0,1]=4 1062 B9R0.7 CC(C)CCC(=O)N(C)C 240690a_100102631434_100000181311 [1,1,0,0,0,0|1,0,1]=4 1063 B9R0.7 CC(C)CCC(=O)N(C)C 527a_100102631434_100000181311 [1,1,0,0,0,0|1,0,1]=4 1064 B9R0.7 CC(O)CCC(=O)C(C)C 1458a_100000210198_100012276601 [1,1,0,0,0,0|0,0,2]=4 1065 B9R0.7 CC(O)CCC(=O)N(C)C 1626a_100102631434_100000718519 [1,1,0,0,0,0|1,0,1]=4 1066 B9R0.7 CN(C)C(=O)CCC(=O)[13CH3] 1458a_100011200748_200025704644 [1,1,0,0,0,0|1,0,1]=4 1067 B9R0.53 C=C(C)CC(=O)C=C(C)C 1458a_100000211388_100000748629 [1,1,0,0,0,0|0,0,2]=4 1068 B9R0.53 CC(=CC(=O)CC(C)C)C 1458a_100000211388_100000210624 [1,1,0,0,0,0|0,0,2]=4 1069 B9R0.53 CC(=CC(=O)CC(C)O)C 1458a_100000211388_100011218427 [1,1,0,0,0,0|0,0,2]=4 1070 B9R0.53 CC(=CC(C)OC(C)C)C 34a_100000717055_100000210206 [1,1,0,0,0,0|1,0,1]=4 1071 B9R0.56 CC(=CCNC(C)(C)C)C 2230a_100000715429_100000761012 [1,1,0,0,0,0|1,0,1]=4 1072 B9R0.56 CC(=CCNC(C)(C)C)C 34a_100000718196_100000210625 [1,1,0,0,0,0|1,0,1]=4 1073 B9R0.56 CC(=CCNS(=O)(=O)C)C 40a_100000718196_100000738038 [1,1,0,0,0,0|2,0,0]=4 1074 B9R0.56 CC(=CCOC(C)(C)C)C 34a_100000753907_100000210625 [1,1,0,0,0,0|1,0,1]=4 1075 B9R0.56 CC(=CCOC(C)(C)C)C 34a_100015890283_100000761012 [1,1,0,0,0,0|1,0,1]=4 1076 B9R0.56 CC(=CCOC(C)(C)C)C 7a_100015890283_100000761012 [1,1,0,0,0,0|1,0,1]=4 1077 B9R0.56 CC(=CCSC(C)(C)C)C 62a_100000211941_100000761012 [1,1,0,0,0,0|1,0,1]=4 1078 B9R0.56 CC(=CCSC(C)(C)C)C 62a_100000761012_100000211941 [1,1,0,0,0,0|1,0,1]=4 1079 B9R0.42 C=CC(C)CC(=O)C(C)C 1458a_100011934298_100000210206 [0,1,0,0,1,0|1,0,1]=4 1080 B9R0.42 C=CC(C)CC(=O)N(C)C 11a_100102631434_100011934298 [0,1,0,0,1,0|2,0,0]=4 1081 B9R0.42 C=CC(C)CC(=O)N(C)C 1626a_100102631434_100011934298 [0,1,0,0,1,0|2,0,0]=4 1082 B9R0.42 C=CC(C)CC(=O)N(C)C 240690a_100102631434_100011934298 [0,1,0,0,1,0|2,0,0]=4 1083 B9R0.42 C=CC(C)CC(=O)N(C)C 527a_100102631434_100011934298 [0,1,0,0,1,0|2,0,0]=4 1084 B11R0.22 C#CC(CC)OCCC=C(C)C 34a_100000758843_100011217483 [0,1,0,0,0,1|1,0,1]=4 1085 B11R0.22 C#CC(CC)OCCC=C(C)C 7a_100000758843_100011217483 [0,1,0,0,0,1|1,0,1]=4 1086 B11R0.22 C=CC(C=C)OCCC=C(C)C 34a_100000033096_100011217483 [0,1,0,0,0,1|1,0,1]=4 1087 B11R0.22 C=CC(CC)OCCC=C(C)C 34a_100000766422_100011217483 [0,1,0,0,0,1|1,0,0]=3 1088 B11R0.22 C=CC(CC)OCCC=C(C)C 7a_100000766422_100011217483 [0,1,0,0,0,1|1,0,0]=3 1089 B11R0.22 C=C[C@@H](CO)NCCC=C(C)C 2230a_100016989147_100011217483 [0,1,0,0,0,1|1,0,0]=3 1090 B11R0.22 C=C[C@@H](CO)NCCC=C(C)C 34a_100016989147_100011217483 [0,1,0,0,0,1|1,0,0]=3 1091 B11R0.22 CC(=CCCNC(CO)CO)C 2230a_100000759517_100011217483 [0,1,0,0,0,1|0,0,2]=4 1092 B11R0.22 CC(=CCCOC(CCl)CCl)C 7a_100000737055_100011217483 [0,1,0,0,0,1|1,0,1]=4 1093 B11R0.22 CC(=CCCOC(CF)CF)C 34a_100000032261_100011217483 [0,1,0,0,0,1|1,0,1]=4 1094 B11R0.22 CC(=CCCOC(CF)CF)C 7a_100000032261_100011217483 [0,1,0,0,0,1|1,0,1]=4 1095 B11R0.22 CC(=CCCOC(CN)CN)C 34a_100000031598_100011217483 [0,1,0,0,0,1|1,0,1]=4 1096 B11R0.22 CC(=CCCO[C@@H](CF)CCl)C 34a_100015614560_100011217483 [0,1,0,0,0,1|1,0,1]=4 1097 B11R0.22 CC(=CCCO[C@@H](CF)CCl)C 7a_100015614560_100011217483 [0,1,0,0,0,1|1,0,1]=4 1098 B11R0.22 CC(=CCCSC(C=O)C=O)C 62a_100000736813_100011217483 [0,1,0,0,0,1|0,0,1]=3 1099 B11R0.22 CC(=CCCSC(C=O)C=O)C 62a_100011217483_100000736813 [0,1,0,0,0,1|0,0,1]=3 1100 B11R0.22 CCC(CC)CNCC=C(C)C 2230a_100102946423_100000761012 [0,1,0,0,0,1|1,0,1]=4 1101 B11R0.22 CCC(CC)CNCC=C(C)C 270004a_100000718196_100000211137 [0,1,0,0,0,1|1,0,1]=4 1102 B11R0.22 CCC(CC)CNCC=C(C)C 34a_100000718196_100011215472 [0,1,0,0,0,1|1,0,1]=4 1103 B11R0.22 CCC(CC)COCC=C(C)C 34a_100000753907_100011215472 [0,1,0,0,0,1|1,0,1]=4 1104 B11R0.22 CCC(CC)COCC=C(C)C 7a_100000703878_100000761012 [0,1,0,0,0,1|1,0,1]=4 1105 B11R0.22 CCC(CC)CSCC=C(C)C 62a_100000761012_100011215472 [0,1,0,0,0,1|1,0,1]=4 1106 B11R0.22 CCC(CC)CSCC=C(C)C 62a_100011215472_100000761012 [0,1,0,0,0,1|1,0,1]=4 1107 B11R0.22 CCC(CC)NCCC=C(C)C 2230a_100000199018_100011217483 [0,1,0,0,0,1|1,0,1]=4 1108 B11R0.22 CCC(CC)OCCC=C(C)C 7a_100000688536_100011217483 [0,1,0,0,0,1|1,0,1]=4 1109 B11R0.22 CCC(CC)SCCC=C(C)C 62a_100000210505_100011217483 [0,1,0,0,0,1|1,0,1]=4 1110 B11R0.22 CCC(CC)SCCC=C(C)C 62a_100011217483_100000210505 [0,1,0,0,0,1|1,0,1]=4 1111 B11R0.22 CCC(COCC=C(C)C)OC 34a_100011934954_100000761012 [0,1,0,0,0,1|1,0,1]=4 1112 B11R0.22 CCC(COCC=C(C)C)OC 7a_100011934954_100000761012 [0,1,0,0,0,1|1,0,1]=4 1113 B11R0.22 CC[C@@H](CO)NCCC=C(C)C 2230a_100000709445_100011217483 [0,1,0,0,0,1|0,0,2]=4 1114 B11R0.22 COC(CNCC=C(C)C)OC 270004a_100000718196_100000752162 [0,1,0,0,0,1|2,0,0]=4 1115 B11R0.22 COC(CNCC=C(C)C)OC 34a_100000718196_100000211822 [0,1,0,0,0,1|2,0,0]=4 1116 B11R0.22 COC(COCC=C(C)C)OC 34a_100000753907_100000211822 [0,1,0,0,0,1|2,0,0]=4 1117 B11R0.22 COC(COCC=C(C)C)OC 34a_100011216393_100000761012 [0,1,0,0,0,1|2,0,0]=4 1118 B11R0.22 COC(CSCC=C(C)C)OC 62a_100000751394_100000761012 [0,1,0,0,0,1|2,0,0]=4 1119 B11R0.22 COC(CSCC=C(C)C)OC 62a_100000761012_100000751394 [0,1,0,0,0,1|2,0,0]=4 1120 B11R0.29 C=C(C)CCNCC(C)C(=O)O 269956a_100000749485_100000730704 [0,1,0,0,0,1|0,0,2]=4 1121 B11R0.29 C=C(C)CCOCC(C)C(=O)C 34a_100000032740_100000730704 [0,1,0,0,0,1|0,0,2]=4 1122 B11R0.29 C=C(C)CCOCC(C)C(=O)C 7a_100000032740_100000730704 [0,1,0,0,0,1|0,0,2]=4 1123 B11R0.29 CC(=CCCNC(C)C(C)C)C 2230a_100000211541_100011217483 [0,1,0,0,0,1|1,0,1]=4 1124 B11R0.29 CC(=CCCN[C@@H](C)C(=O)O)C 269956a_100000743915_100011217483 [0,1,0,0,0,1|0,0,0]=2 1125 B11R0.29 CC(=CCCN[C@H](C)C(=O)N)C 2230a_100000119354_100011217483 [0,1,0,0,0,1|0,0,0]=2 1126 B11R0.29 CC(=CCCN[C@H](C)C(=O)N)C 34a_100000119354_100011217483 [0,1,0,0,0,1|0,0,0]=2 1127 B11R0.29 CC(=CCCOC(C)C(C)C)C 7a_100000748068_100011217483 [0,1,0,0,0,1|1,0,1]=4 1128 B11R0.29 CC(=CCCO[C@@H](C)C(=O)[O-])C 7a_217856618621_100011217483 [0,1,0,0,0,1|0,0,0]=2 1129 B11R0.29 CC(=CCCO[C@H](C)C(=O)N)C 34a_100000731257_100011217483 [0,1,0,0,0,1|0,0,0]=2 1130 B11R0.29 CC(=CCCO[C@H](C)C(=O)N)C 7a_100000731257_100011217483 [0,1,0,0,0,1|0,0,0]=2 1131 B11R0.29 CC(=CCCSC(C)C(=O)N)C 62a_100000702099_100011217483 [0,1,0,0,0,1|0,0,0]=2 1132 B11R0.29 CC(=CCCSC(C)C(=O)N)C 62a_100011217483_100000702099 [0,1,0,0,0,1|0,0,0]=2 1133 B11R0.29 CC(=CCCSC(F)C(=O)N)C 62a_100009813875_100011217483 [0,1,0,0,0,1|1,0,0]=3 1134 B11R0.29 CC(=CCCSC(F)C(=O)N)C 62a_100011217483_100009813875 [0,1,0,0,0,1|1,0,0]=3 1135 B11R0.29 CC(=CCCSC(F)C(=O)[O-])C 62a_100011217483_100020610796 [0,1,0,0,0,1|1,0,0]=3 1136 B11R0.29 CC(=CCCSC(F)C(=O)[O-])C 62a_100020610796_100011217483 [0,1,0,0,0,1|1,0,0]=3 1137 B11R0.29 CC(=CCNCC(C)C(=O)O)C 269956a_100000749485_100000761012 [0,1,0,0,0,1|0,0,0]=2 1138 B11R0.29 CC(=CCNCC(F)C(=O)O)C 269956a_100000084737_100000761012 [0,1,0,0,0,1|1,0,0]=3 1139 B11R0.29 CC(=CCOCC(C)[N+](=O)[O-])C 34a_100000039676_100000761012 [0,1,0,0,0,1|1,0,0]=3 1140 B11R0.29 CC(=CCOCC(C)[N+](=O)[O-])C 7a_100000039676_100000761012 [0,1,0,0,0,1|1,0,0]=3 1141 B11R0.29 CC(=CCOC[C@H](N)C(=O)N)C 34a_100000729942_100000761012 [0,1,0,0,0,1|1,0,0]=3 1142 B11R0.29 CC(=O)C(=O)CNCC=C(C)C 34a_100000718196_100011261029 [0,1,0,0,0,1|1,0,1]=4 1143 B11R0.29 CC(=O)C(=O)COCC=C(C)C 34a_100000753907_100011261029 [0,1,0,0,0,1|1,0,1]=4 1144 B11R0.29 CC(=O)C(=O)CSCC=C(C)C 62a_100000761012_100011261029 [0,1,0,0,0,1|1,0,1]=4 1145 B11R0.29 CC(=O)C(=O)CSCC=C(C)C 62a_100011261029_100000761012 [0,1,0,0,0,1|1,0,1]=4 1146 B11R0.29 CC(=O)C(C)COCC=C(C)C 34a_100000032740_100000761012 [0,1,0,0,0,1|0,0,0]=2 1147 B11R0.29 CC(=O)C(C)COCC=C(C)C 7a_100000032740_100000761012 [0,1,0,0,0,1|0,0,0]=2 1148 B11R0.29 CC(=O)C(C)COCCC(C)C 34a_100000032740_100000210312 [0,1,0,0,0,1|0,0,2]=4 1149 B11R0.29 CC(=O)C(C)COCCC(C)C 7a_100000032740_100000210626 [0,1,0,0,0,1|0,0,2]=4 1150 B11R0.29 CC(=O)C(C)COCCN(C)C 7a_100000032740_100000755713 [0,1,0,0,0,1|1,0,1]=4 1151 B11R0.29 CC(=O)C(C)COCOC(C)C 34a_100000032740_100000709892 [0,1,0,0,0,1|1,0,1]=4 1152 B11R0.29 CC(=O)C(C)NCCCC(C)C 2230a_200000737386_100009814033 [0,1,0,0,0,1|0,0,2]=4 1153 B11R0.29 CC(=O)C(C)NCCOC(C)C 2230a_100000701111_100009814033 [0,1,0,0,0,1|1,0,1]=4 1154 B11R0.29 CC(=O)C(C)NCCSC(C)C 2230a_100000731138_100009814033 [0,1,0,0,0,1|1,0,1]=4 1155 B11R0.29 CC(=O)C(C)OCCC=C(C)C 34a_100000212229_100011217483 [0,1,0,0,0,1|0,0,0]=2 1156 B11R0.29 CC(=O)C(C)OCCC=C(F)F 34a_100000212229_200009816681 [0,1,0,0,0,1|2,0,0]=4 1157 B11R0.29 CC(=O)C(C)OCCCC(C)C 34a_100000212229_100011214892 [0,1,0,0,0,1|0,0,2]=4 1158 B11R0.29 CC(=O)C(C)OCCCC(C)C 7a_100000210774_100000179758 [0,1,0,0,0,1|0,0,2]=4 1159 B11R0.29 CC(=O)C(C)OCCOC(C)C 34a_100000212229_100000211751 [0,1,0,0,0,1|1,0,1]=4 1160 B11R0.29 CC(=O)C(C)OCCOC(C)C 7a_100000211219_100000179758 [0,1,0,0,0,1|1,0,1]=4 1161 B11R0.29 CC(=O)C(C)OCCSC(C)C 34a_100000212229_100000730970 [0,1,0,0,0,1|1,0,1]=4 1162 B11R0.29 CC(=O)C(C)OCCSC(C)C 7a_200011212901_100000179758 [0,1,0,0,0,1|1,0,1]=4 1163 B11R0.29 CC(=O)C(C)SCCC=C(C)C 62a_100009814033_100011217483 [0,1,0,0,0,1|0,0,0]=2 1164 B11R0.29 CC(=O)C(C)SCCC=C(C)C 62a_100011217483_100009814033 [0,1,0,0,0,1|0,0,0]=2 1165 B11R0.29 CC(=O)C(C)SCCC=C(F)F 62a_100009814033_200009816681 [0,1,0,0,0,1|2,0,0]=4 1166 B11R0.29 CC(=O)C(C)SCCC=C(F)F 62a_200009816681_100009814033 [0,1,0,0,0,1|2,0,0]=4 1167 B11R0.29 CC(=O)C(C)SCCCC(C)C 62a_100009814033_100011214892 [0,1,0,0,0,1|0,0,2]=4 1168 B11R0.29 CC(=O)C(C)SCCCC(C)C 62a_100011214892_100009814033 [0,1,0,0,0,1|0,0,2]=4 1169 B11R0.29 CC(=O)C(C)SCCCN(C)C 62a_100009814033_100000757444 [0,1,0,0,0,1|1,0,1]=4 1170 B11R0.29 CC(=O)C(C)SCCOC(C)C 62a_100000211751_100009814033 [0,1,0,0,0,1|1,0,1]=4 1171 B11R0.29 CC(=O)C(C)SCCOC(C)C 62a_100009814033_100000211751 [0,1,0,0,0,1|1,0,1]=4 1172 B11R0.29 CC(=O)C(C)SCCSC(C)C 62a_100000730970_100009814033 [0,1,0,0,0,1|1,0,1]=4 1173 B11R0.29 CC(=O)C(C)SCCSC(C)C 62a_100009814033_100000730970 [0,1,0,0,0,1|1,0,1]=4 1174 B11R0.29 CC(=O)CCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215641 [0,1,0,0,0,1|1,0,1]=4 1175 B11R0.29 CC(=O)CCCN[C@H](C)C(=O)N 34a_100000119354_100000685027 [0,1,0,0,0,1|1,0,1]=4 1176 B11R0.29 CC(=O)CCCOC(C)C(=O)C 34a_100000212229_100000685027 [0,1,0,0,0,1|1,0,1]=4 1177 B11R0.29 CC(=O)CCCOC(C)C(=O)C 7a_100000759063_100000179758 [0,1,0,0,0,1|1,0,1]=4 1178 B11R0.29 CC(=O)CCCOC(C)C(=O)N 34a_100000759063_100000702099 [0,1,0,0,0,1|1,0,1]=4 1179 B11R0.29 CC(=O)CCCOC(C)C(=O)N 7a_100000759063_100000702099 [0,1,0,0,0,1|1,0,1]=4 1180 B11R0.29 CC(=O)CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011215641 [0,1,0,0,0,1|1,0,1]=4 1181 B11R0.29 CC(=O)CCCO[C@H](C)C(=O)N 34a_100000731257_100000685027 [0,1,0,0,0,1|1,0,1]=4 1182 B11R0.29 CC(=O)CCCO[C@H](C)C(=O)N 7a_100000731257_100011215641 [0,1,0,0,0,1|1,0,1]=4 1183 B11R0.29 CC(=O)CCCSC(C)C(=O)C 62a_100009814033_100011215641 [0,1,0,0,0,1|1,0,1]=4 1184 B11R0.29 CC(=O)CCCSC(C)C(=O)C 62a_100011215641_100009814033 [0,1,0,0,0,1|1,0,1]=4 1185 B11R0.29 CC(=O)CCCSC(C)C(=O)N 62a_100000702099_100011215641 [0,1,0,0,0,1|1,0,1]=4 1186 B11R0.29 CC(=O)CCCSC(C)C(=O)N 62a_100011215641_100000702099 [0,1,0,0,0,1|1,0,1]=4 1187 B11R0.29 CC(=O)CCNCC(C)C(=O)O 269956a_100000749485_100000053229 [0,1,0,0,0,1|1,0,1]=4 1188 B11R0.29 CC(=O)CCOCC(C)C(=O)C 7a_100000032740_100000053229 [0,1,0,0,0,1|1,0,1]=4 1189 B11R0.29 CC(=O)NCCNC(C)C(=O)C 2230a_100000209853_100009814033 [0,1,0,0,0,1|2,0,0]=4 1190 B11R0.29 CC(=O)NCCNC(C)C(=O)N 2230a_100000209853_100000702099 [0,1,0,0,0,1|2,0,0]=4 1191 B11R0.29 CC(=O)NCCN[C@@H](C)C(=O)O 269956a_100000743915_100000189650 [0,1,0,0,0,1|2,0,0]=4 1192 B11R0.29 CC(=O)NCCN[C@H](C)C(=O)N 2230a_100000119354_100000189650 [0,1,0,0,0,1|2,0,0]=4 1193 B11R0.29 CC(=O)NCCOC(C)C(=O)N 34a_100000158858_100000702099 [0,1,0,0,0,1|2,0,0]=4 1194 B11R0.29 CC(=O)NCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000189650 [0,1,0,0,0,1|2,0,0]=4 1195 B11R0.29 CC(=O)NCCO[C@H](C)C(=O)N 7a_100000731257_100000189650 [0,1,0,0,0,1|2,0,0]=4 1196 B11R0.29 CC(=O)NCCSC(C)C(=O)C 62a_100000189650_100009814033 [0,1,0,0,0,1|2,0,0]=4 1197 B11R0.29 CC(=O)NCCSC(C)C(=O)C 62a_100009814033_100000189650 [0,1,0,0,0,1|2,0,0]=4 1198 B11R0.29 CC(=O)NCCSC(C)C(=O)N 62a_100000189650_100000702099 [0,1,0,0,0,1|2,0,0]=4 1199 B11R0.29 CC(=O)NCCSC(C)C(=O)N 62a_100000702099_100000189650 [0,1,0,0,0,1|2,0,0]=4 1200 B11R0.29 CC(=O)OCCN[C@@H](C)C(=O)O 269956a_100000743915_100009814007 [0,1,0,0,0,1|2,0,0]=4 1201 B11R0.29 CC(=O)OCCN[C@H](C)C(=O)N 34a_100000119354_100009814007 [0,1,0,0,0,1|2,0,0]=4 1202 B11R0.29 CC(=O)OCCOC(C)C(=O)C 34a_100000212229_100009814007 [0,1,0,0,0,1|2,0,0]=4 1203 B11R0.29 CC(=O)OCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100009814007 [0,1,0,0,0,1|2,0,0]=4 1204 B11R0.29 CC(=O)OCCO[C@H](C)C(=O)N 34a_100000731257_100009814007 [0,1,0,0,0,1|2,0,0]=4 1205 B11R0.29 CC(=O)OCCO[C@H](C)C(=O)N 7a_100000731257_100009814007 [0,1,0,0,0,1|2,0,0]=4 1206 B11R0.29 CC(=O)OCCSC(C)C(=O)C 62a_100009814007_100009814033 [0,1,0,0,0,1|2,0,0]=4 1207 B11R0.29 CC(=O)OCCSC(C)C(=O)C 62a_100009814033_100009814007 [0,1,0,0,0,1|2,0,0]=4 1208 B11R0.29 CC(=O)OCCSC(C)C(=O)N 62a_100000702099_100009814007 [0,1,0,0,0,1|2,0,0]=4 1209 B11R0.29 CC(=O)OCCSC(C)C(=O)N 62a_100009814007_100000702099 [0,1,0,0,0,1|2,0,0]=4 1210 B11R0.29 CC(=O)OCNCC(C)C(=O)O 269956a_100000749485_100000076356 [0,1,0,0,0,1|2,0,0]=4 1211 B11R0.29 CC(=O)OCOCC(C)C(=O)C 34a_100000032740_100009813279 [0,1,0,0,0,1|2,0,0]=4 1212 B11R0.29 CC(C)CCCNC(C)C(=O)N 2230a_200000737386_100000702099 [0,1,0,0,0,1|0,0,2]=4 1213 B11R0.29 CC(C)CCCNC(C)C(=O)N 34a_200000737386_100000702099 [0,1,0,0,0,1|0,0,2]=4 1214 B11R0.29 CC(C)CCCN[C@@H](C)C(=O)O 269956a_100000743915_100011214892 [0,1,0,0,0,1|0,0,2]=4 1215 B11R0.29 CC(C)CCCN[C@H](C)C(=O)N 2230a_100000119354_100011214892 [0,1,0,0,0,1|0,0,2]=4 1216 B11R0.29 CC(C)CCCN[C@H](C)C(=O)N 34a_100000119354_100011214892 [0,1,0,0,0,1|0,0,2]=4 1217 B11R0.29 CC(C)CCCOC(C)C(=O)N 34a_100000210774_100000702099 [0,1,0,0,0,1|0,0,2]=4 1218 B11R0.29 CC(C)CCCOC(C)C(=O)N 7a_100000210774_100000702099 [0,1,0,0,0,1|0,0,2]=4 1219 B11R0.29 CC(C)CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011214892 [0,1,0,0,0,1|0,0,2]=4 1220 B11R0.29 CC(C)CCCO[C@H](C)C(=O)N 34a_100000731257_100011214892 [0,1,0,0,0,1|0,0,2]=4 1221 B11R0.29 CC(C)CCCO[C@H](C)C(=O)N 7a_100000731257_100011214892 [0,1,0,0,0,1|0,0,2]=4 1222 B11R0.29 CC(C)CCCSC(C)C(=O)N 62a_100000702099_100011214892 [0,1,0,0,0,1|0,0,2]=4 1223 B11R0.29 CC(C)CCCSC(C)C(=O)N 62a_100011214892_100000702099 [0,1,0,0,0,1|0,0,2]=4 1224 B11R0.29 CC(C)CCNCC(C)C(=O)O 269956a_100000749485_100000210312 [0,1,0,0,0,1|0,0,2]=4 1225 B11R0.29 CC(C)NCCOC(C)C(=O)N 34a_100000224655_100000702099 [0,1,0,0,0,1|1,0,1]=4 1226 B11R0.29 CC(C)OCCNC(C)C(=O)N 2230a_100000701111_100000702099 [0,1,0,0,0,1|1,0,1]=4 1227 B11R0.29 CC(C)OCCNC(C)C(=O)N 34a_100000701111_100000702099 [0,1,0,0,0,1|1,0,1]=4 1228 B11R0.29 CC(C)OCCN[C@@H](C)C(=O)O 269956a_100000743915_100000211751 [0,1,0,0,0,1|1,0,1]=4 1229 B11R0.29 CC(C)OCCN[C@H](C)C(=O)N 2230a_100000119354_100000211751 [0,1,0,0,0,1|1,0,1]=4 1230 B11R0.29 CC(C)OCCN[C@H](C)C(=O)N 34a_100000119354_100000211751 [0,1,0,0,0,1|1,0,1]=4 1231 B11R0.29 CC(C)OCCOC(C)C(=O)N 34a_100000211219_100000702099 [0,1,0,0,0,1|1,0,1]=4 1232 B11R0.29 CC(C)OCCOC(C)C(=O)N 7a_100000211219_100000702099 [0,1,0,0,0,1|1,0,1]=4 1233 B11R0.29 CC(C)OCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000211751 [0,1,0,0,0,1|1,0,1]=4 1234 B11R0.29 CC(C)OCCO[C@H](C)C(=O)N 34a_100000731257_100000211751 [0,1,0,0,0,1|1,0,1]=4 1235 B11R0.29 CC(C)OCCO[C@H](C)C(=O)N 7a_100000731257_100000211751 [0,1,0,0,0,1|1,0,1]=4 1236 B11R0.29 CC(C)OCCSC(C)C(=O)N 62a_100000211751_100000702099 [0,1,0,0,0,1|1,0,1]=4 1237 B11R0.29 CC(C)OCCSC(C)C(=O)N 62a_100000702099_100000211751 [0,1,0,0,0,1|1,0,1]=4 1238 B11R0.29 CC(C)OCNCC(C)C(=O)O 269956a_100000749485_100000709892 [0,1,0,0,0,1|1,0,1]=4 1239 B11R0.29 CC(C)SCCNC(C)C(=O)N 2230a_100000731138_100000702099 [0,1,0,0,0,1|1,0,1]=4 1240 B11R0.29 CC(C)SCCNC(C)C(=O)N 34a_100000731138_100000702099 [0,1,0,0,0,1|1,0,1]=4 1241 B11R0.29 CC(C)SCCN[C@@H](C)C(=O)O 269956a_100000743915_100000730970 [0,1,0,0,0,1|1,0,1]=4 1242 B11R0.29 CC(C)SCCN[C@H](C)C(=O)N 2230a_100000119354_100000730970 [0,1,0,0,0,1|1,0,1]=4 1243 B11R0.29 CC(C)SCCN[C@H](C)C(=O)N 34a_100000119354_100000730970 [0,1,0,0,0,1|1,0,1]=4 1244 B11R0.29 CC(C)SCCOC(C)C(=O)N 34a_200011212901_100000702099 [0,1,0,0,0,1|1,0,1]=4 1245 B11R0.29 CC(C)SCCOC(C)C(=O)N 7a_200011212901_100000702099 [0,1,0,0,0,1|1,0,1]=4 1246 B11R0.29 CC(C)SCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000730970 [0,1,0,0,0,1|1,0,1]=4 1247 B11R0.29 CC(C)SCCO[C@H](C)C(=O)N 34a_100000731257_100000730970 [0,1,0,0,0,1|1,0,1]=4 1248 B11R0.29 CC(C)SCCO[C@H](C)C(=O)N 7a_100000731257_100000730970 [0,1,0,0,0,1|1,0,1]=4 1249 B11R0.29 CC(C)SCCSC(C)C(=O)N 62a_100000702099_100000730970 [0,1,0,0,0,1|1,0,1]=4 1250 B11R0.29 CC(C)SCCSC(C)C(=O)N 62a_100000730970_100000702099 [0,1,0,0,0,1|1,0,1]=4 1251 B11R0.29 CC(CNCCN(C)C)C(=O)O 269956a_100000749485_100000755713 [0,1,0,0,0,1|1,0,1]=4 1252 B11R0.29 CC(SCCC=C(F)F)C(=O)N 62a_100000702099_200009816681 [0,1,0,0,0,1|2,0,0]=4 1253 B11R0.29 CC(SCCC=C(F)F)C(=O)N 62a_200009816681_100000702099 [0,1,0,0,0,1|2,0,0]=4 1254 B11R0.29 CC(SCCCN(C)C)C(=O)N 62a_100000702099_100000757444 [0,1,0,0,0,1|1,0,1]=4 1255 B11R0.29 C[C@@H](NCCC=C(F)F)C(=O)N 2230a_100000119354_200009816681 [0,1,0,0,0,1|2,0,0]=4 1256 B11R0.29 C[C@@H](NCCC=C(F)F)C(=O)N 34a_100000119354_200009816681 [0,1,0,0,0,1|2,0,0]=4 1257 B11R0.29 C[C@@H](OCCC=C(F)F)C(=O)N 34a_100000731257_200009816681 [0,1,0,0,0,1|2,0,0]=4 1258 B11R0.29 C[C@@H](OCCC=C(F)F)C(=O)N 7a_100000731257_200009816681 [0,1,0,0,0,1|2,0,0]=4 1259 B11R0.29 C[C@@H](OCCCN(C)C)C(=O)N 7a_100000731257_100000757444 [0,1,0,0,0,1|1,0,1]=4 1260 B11R0.29 C[C@H](NCCC=C(F)F)C(=O)O 269956a_100000743915_200009816681 [0,1,0,0,0,1|2,0,0]=4 1261 B11R0.29 C[C@H](NCCCN(C)C)C(=O)O 269956a_100000743915_100000757444 [0,1,0,0,0,1|1,0,1]=4 1262 B11R0.29 C[C@H](OCCC=C(F)F)C(=O)[O-] 7a_217856618621_200009816681 [0,1,0,0,0,1|2,0,0]=4 1263 B11R0.29 C[C@H](OCCCN(C)C)C(=O)[O-] 7a_217856618621_100000757444 [0,1,0,0,0,1|1,0,1]=4 1264 B11R0.93 C=CC(C)CC(=O)CC=C(C)C 1458a_100011934298_100000761012 [0,1,0,0,0,1|1,0,0]=3 1265 B11R0.93 CC(=CCC(=O)C[C@@H](C)CO)C 1458a_100011220947_100000059175 [0,1,0,0,0,1|0,0,2]=4 1266 B11R0.93 CCC(C)CC(=O)CC=C(C)C 1458a_100000708755_100000761012 [0,1,0,0,0,1|1,0,1]=4 1267 B11R0.93 CCC(C)CC(=O)CC=C(C)C 1458a_100011220947_100000748023 [0,1,0,0,0,1|1,0,1]=4 1268 B11R0.93 CCC(C)CN(C)CC=C(C)C 2230a_100000753921_100000761012 [0,1,0,0,0,1|1,0,1]=4 1269 B11R0.93 CCC(C)CN(C)CC=C(C)C 269982a_100000753921_100000761012 [0,1,0,0,0,1|1,0,1]=4 1270 B11R0.93 CC[C@H](C)CC(=O)CC=C(C)C 1458a_100011220947_100009816398 [0,1,0,0,0,1|1,0,1]=4 1271 B11R0.107 C=CC(O)COC(C)C=C(C)C 34a_100000717055_100000730141 [0,1,0,0,0,1|2,0,0]=4 1272 B11R0.107 CC(=CC(C)OC[C@@H](C)CO)C 34a_100000717055_100000059175 [0,1,0,0,0,1|0,0,2]=4 1273 B11R0.107 CCC(C)COC(C)C=C(C)C 34a_100000717055_100000748023 [0,1,0,0,0,1|1,0,1]=4 1274 B11R0.107 CC[C@H](C)COC(C)C=C(C)C 34a_100000717055_100009816398 [0,1,0,0,0,1|1,0,1]=4 1275 B11R0.109 C=CC(C)COCC(=O)C(=O)C 34a_100011215527_100011261029 [0,1,0,0,0,1|2,0,0]=4 1276 B11R0.109 C=CC(C)COCC(=O)C(C)C 34a_100011215527_100000753385 [0,1,0,0,0,1|1,0,1]=4 1277 B11R0.109 C=CC(C)COCC(=O)C(C)C 7a_100011215527_100000753385 [0,1,0,0,0,1|1,0,1]=4 1278 B11R0.109 C=CC(C)COCC(=O)N(C)C 34a_100011215527_100000692301 [0,1,0,0,0,1|2,0,0]=4 1279 B11R0.109 C=CC(C)COCC(=O)N(C)C 7a_100011215527_100000692301 [0,1,0,0,0,1|2,0,0]=4 1280 B11R0.109 C=CC(C)SCCC(=O)N(C)C 62a_100011215867_100000737620 [0,1,0,0,0,1|2,0,0]=4 1281 B11R0.127 C#CC(C)(C)NCCC=C(C)C 34a_100000054563_100011217483 [0,1,0,0,0,1|1,0,1]=4 1282 B11R0.127 C#CC(C)(C)OCCC=C(C)C 34a_100000189450_100011217483 [0,1,0,0,0,1|1,0,1]=4 1283 B11R0.127 C#CC(C)(C)OCCC=C(C)C 7a_100000189450_100011217483 [0,1,0,0,0,1|1,0,1]=4 1284 B11R0.127 C#CC(C)(C)SCCC=C(C)C 62a_100000038118_100011217483 [0,1,0,0,0,1|1,0,1]=4 1285 B11R0.127 C#CC(C)(C)SCCC=C(C)C 62a_100011217483_100000038118 [0,1,0,0,0,1|1,0,1]=4 1286 B11R0.127 C=CC(C)(C)OCCC=C(C)C 34a_100011215311_100011217483 [0,1,0,0,0,1|1,0,0]=3 1287 B11R0.127 C=CC(C)(C)OCCC=C(C)C 7a_100011215311_100011217483 [0,1,0,0,0,1|1,0,0]=3 1288 B11R0.127 C=CC(F)(F)SCCC=C(C)C 62a_100009814244_100011217483 [0,1,0,0,0,1|2,0,0]=4 1289 B11R0.127 C=CC(F)(F)SCCC=C(C)C 62a_100011217483_100009814244 [0,1,0,0,0,1|2,0,0]=4 1290 B11R0.127 C=C[Si](C)(C)CSCC=C(C)C 62a_100000038793_100000761012 [0,1,0,0,0,1|1,1,0]=4 1291 B11R0.127 C=C[Si](C)(C)CSCC=C(C)C 62a_100000761012_100000038793 [0,1,0,0,0,1|1,1,0]=4 1292 B11R0.127 CC(=CCCNC(C)(C)CO)C 2230a_100000210608_100011217483 [0,1,0,0,0,1|0,0,2]=4 1293 B11R0.127 CC(=CCCOC(C)(C)C#N)C 34a_200015195151_100011217483 [0,1,0,0,0,1|1,0,1]=4 1294 B11R0.127 CC(=CCCOC(C)(C)CCl)C 7a_100000764493_100011217483 [0,1,0,0,0,1|1,0,1]=4 1295 B11R0.127 CC(=CCCSC(C)(C)C#N)C 62a_100011162410_100011217483 [0,1,0,0,0,1|1,0,1]=4 1296 B11R0.127 CC(=CCCSC(C)(C)C#N)C 62a_100011217483_100011162410 [0,1,0,0,0,1|1,0,1]=4 1297 B11R0.127 CC(=CCNCC(C)(C)CO)C 2230a_100020635058_100000761012 [0,1,0,0,0,1|0,0,2]=4 1298 B11R0.127 CC(=CCNCC(C)(C)CO)C 34a_100000718196_100009813988 [0,1,0,0,0,1|0,0,2]=4 1299 B11R0.127 CC(=CCOCC(C)(C)CCl)C 7a_100011217199_100000761012 [0,1,0,0,0,1|1,0,1]=4 1300 B11R0.127 CC(=CCOCC(C)(C)CO)C 34a_100000753907_100009813988 [0,1,0,0,0,1|0,0,2]=4 1301 B11R0.127 CC(=CCSCC(C)(C)CO)C 62a_100000761012_100009813988 [0,1,0,0,0,1|0,0,2]=4 1302 B11R0.127 CC(=CCSCC(C)(C)CO)C 62a_100009813988_100000761012 [0,1,0,0,0,1|0,0,2]=4 1303 B11R0.127 CCC(C)(C)COCC=C(C)C 7a_100000765029_100000761012 [0,1,0,0,0,1|1,0,1]=4 1304 B11R0.127 CCC(C)(C)NCCC=C(C)C 2230a_100000211385_100011217483 [0,1,0,0,0,1|1,0,1]=4 1305 B11R0.127 CCC(C)(C)OCCC=C(C)C 7a_100000210230_100011217483 [0,1,0,0,0,1|1,0,1]=4 1306 B11R0.127 CCC(C)(C)SCCC=C(C)C 62a_100000032637_100011217483 [0,1,0,0,0,1|1,0,1]=4 1307 B11R0.127 CCC(C)(C)SCCC=C(C)C 62a_100011217483_100000032637 [0,1,0,0,0,1|1,0,1]=4 1308 B11R0.127 COC(C)(C)CNCC=C(C)C 2230a_100000763424_100000761012 [0,1,0,0,0,1|2,0,0]=4 1309 B11R0.127 COC(C)(C)CNCC=C(C)C 34a_100000718196_100000701081 [0,1,0,0,0,1|2,0,0]=4 1310 B11R0.127 COC(C)(C)COCC=C(C)C 34a_100000753907_100000701081 [0,1,0,0,0,1|2,0,0]=4 1311 B11R0.127 COC(C)(C)CSCC=C(C)C 62a_100000701081_100000761012 [0,1,0,0,0,1|2,0,0]=4 1312 B11R0.127 COC(C)(C)CSCC=C(C)C 62a_100000761012_100000701081 [0,1,0,0,0,1|2,0,0]=4 1313 B11R0.127 CSC(C)(C)CNCC=C(C)C 270004a_100000718196_100009845794 [0,1,0,0,0,1|2,0,0]=4 1314 B11R0.145 C/C=C(\C)/C(=O)CCC=C(C)C 1458a_100020587367_100011217483 [0,1,0,0,0,1|1,0,1]=4 1315 B11R0.145 C=CC(C)C(=O)CCC=C(C)C 1458a_100011216780_100011217483 [0,1,0,0,0,1|1,0,0]=3 1316 B11R0.145 C=CC(C)C(=O)NCC=C(C)C 11a_100000718196_100011216780 [0,1,0,0,0,1|1,0,1]=4 1317 B11R0.145 C=CC(C)C(=O)NCC=C(C)C 1626a_100000718196_100011216780 [0,1,0,0,0,1|1,0,1]=4 1318 B11R0.145 C=CC(C)C(=O)NCC=C(C)C 527a_100000718196_100011216780 [0,1,0,0,0,1|1,0,1]=4 1319 B11R0.145 C=C[C@@H](C)[C@@H](C)OCC=C(C)C 34a_100015455354_100000761012 [0,1,0,0,0,1|1,0,0]=3 1320 B11R0.145 C=C[C@@H](C)[C@@H](C)OCC=C(C)C 7a_100015455354_100000761012 [0,1,0,0,0,1|1,0,0]=3 1321 B11R0.145 CC(=CCCC(=O)C(C)C#N)C 1458a_100000753662_100011217483 [0,1,0,0,0,1|1,0,1]=4 1322 B11R0.145 CC(=CCCN(C)C(C)CO)C 2230a_100000693034_100011217483 [0,1,0,0,0,1|0,0,2]=4 1323 B11R0.145 CC(=CCCN(C)C(C)CO)C 269982a_100000693034_100011217483 [0,1,0,0,0,1|0,0,2]=4 1324 B11R0.145 CCC(C)C(=O)CCC=C(C)C 1458a_100011192722_100011217483 [0,1,0,0,0,1|1,0,1]=4 1325 B11R0.145 CCC(C)C(C)NCC=C(C)C 270004a_100000718196_100000210599 [0,1,0,0,0,1|1,0,1]=4 1326 B11R0.145 CCC(C)C(C)OCC=C(C)C 7a_100011215189_100000761012 [0,1,0,0,0,1|1,0,1]=4 1327 B11R0.145 CCC(C)N(C)CCC=C(C)C 2230a_100000741768_100011217483 [0,1,0,0,0,1|1,0,1]=4 1328 B11R0.145 CCC(C)N(C)CCC=C(C)C 269982a_100000741768_100011217483 [0,1,0,0,0,1|1,0,1]=4 1329 B11R0.145 COC(C)C(=O)CCC=C(C)C 1458a_100000743197_100011217483 [0,1,0,0,0,1|2,0,0]=4 1330 B11R0.145 CSC(C)C(=O)CCC=C(C)C 1458a_100000149566_100011217483 [0,1,0,0,0,1|2,0,0]=4 1331 B11R0.176 C#CCC(C)OCCC=C(C)C 34a_100000685586_100011217483 [0,1,0,0,0,1|1,0,1]=4 1332 B11R0.176 C#CCC(C)OCCC=C(C)C 7a_100000685586_100011217483 [0,1,0,0,0,1|1,0,1]=4 1333 B11R0.176 C/C=C/C(C)OCCC=C(C)C 34a_200102604097_100011217483 [0,1,0,0,0,1|1,0,0]=3 1334 B11R0.176 C=CCC(C)COCC=C(C)C 34a_100009832082_100000761012 [0,1,0,0,0,1|1,0,0]=3 1335 B11R0.176 C=CCC(C)COCC=C(C)C 7a_100009832082_100000761012 [0,1,0,0,0,1|1,0,0]=3 1336 B11R0.176 C=CC[C@@H](C)OCCC=C(C)C 34a_100000731007_100011217483 [0,1,0,0,0,1|1,0,0]=3 1337 B11R0.176 C=CC[C@@H](C)OCCC=C(C)C 7a_100000731007_100011217483 [0,1,0,0,0,1|1,0,0]=3 1338 B11R0.176 C=CC[C@@H](N)COCC=C(C)C 34a_100020615467_100000761012 [0,1,0,0,0,1|2,0,0]=4 1339 B11R0.176 CC#CC(C)OCCC=C(C)C 34a_100011216543_100011217483 [0,1,0,0,0,1|1,0,1]=4 1340 B11R0.176 CC(=CCCN[C@@H](C)CC#N)C 2230a_100016994482_100011217483 [0,1,0,0,0,1|1,0,1]=4 1341 B11R0.176 CC(=CCCN[C@H](C)CCO)C 2230a_100000706166_100011217483 [0,1,0,0,0,1|0,0,2]=4 1342 B11R0.176 CC(=CCCN[C@H](C)CCO)C 34a_100000706166_100011217483 [0,1,0,0,0,1|0,0,2]=4 1343 B11R0.176 CC(=CCCOC(C)CCBr)C 34a_100012276601_100011217483 [0,1,0,0,0,1|1,0,1]=4 1344 B11R0.176 CC(=CCCSC(C)CC#N)C 62a_100009813641_100011217483 [0,1,0,0,0,1|1,0,1]=4 1345 B11R0.176 CC(=CCCSC(C)CC#N)C 62a_100011217483_100009813641 [0,1,0,0,0,1|1,0,1]=4 1346 B11R0.176 CC(=CCCSC(C)CCO)C 62a_100009893172_100011217483 [0,1,0,0,0,1|0,0,2]=4 1347 B11R0.176 CC(=CCCSC(C)CCO)C 62a_100011217483_100009893172 [0,1,0,0,0,1|0,0,2]=4 1348 B11R0.176 CC(=CCOCC(C)CCN)C 34a_106354213184_100000761012 [0,1,0,0,0,1|1,0,1]=4 1349 B11R0.176 CCCC(C)CNCC=C(C)C 270004a_100000718196_100000243154 [0,1,0,0,0,1|1,0,1]=4 1350 B11R0.176 CCCC(C)CNCC=C(C)C 34a_100000718196_100011216630 [0,1,0,0,0,1|1,0,1]=4 1351 B11R0.176 CCCC(C)COCC=C(C)C 34a_100000688023_100000761012 [0,1,0,0,0,1|1,0,1]=4 1352 B11R0.176 CCCC(C)COCC=C(C)C 34a_100000753907_100011216630 [0,1,0,0,0,1|1,0,1]=4 1353 B11R0.176 CCCC(C)COCC=C(C)C 7a_100000688023_100000761012 [0,1,0,0,0,1|1,0,1]=4 1354 B11R0.176 CCCC(C)CSCC=C(C)C 62a_100000761012_100011216630 [0,1,0,0,0,1|1,0,1]=4 1355 B11R0.176 CCCC(C)CSCC=C(C)C 62a_100011216630_100000761012 [0,1,0,0,0,1|1,0,1]=4 1356 B11R0.176 CCCC(C)NCCC=C(C)C 2230a_100000741246_100011217483 [0,1,0,0,0,1|1,0,1]=4 1357 B11R0.176 CCCC(C)OCCC=C(C)C 34a_100000764384_100011217483 [0,1,0,0,0,1|1,0,1]=4 1358 B11R0.176 CCCC(C)OCCC=C(C)C 7a_100000764384_100011217483 [0,1,0,0,0,1|1,0,1]=4 1359 B11R0.176 CCCC(C)SCCC=C(C)C 62a_100000766640_100011217483 [0,1,0,0,0,1|1,0,1]=4 1360 B11R0.176 CCCC(C)SCCC=C(C)C 62a_100011217483_100000766640 [0,1,0,0,0,1|1,0,1]=4 1361 B11R0.176 COCC(C)SCCC=C(C)C 62a_100000765312_100011217483 [0,1,0,0,0,1|0,0,2]=4 1362 B11R0.176 COCC(C)SCCC=C(C)C 62a_100011217483_100000765312 [0,1,0,0,0,1|0,0,2]=4 1363 B11R0.176 COC[C@@H](C)NCCC=C(C)C 2230a_100000764878_100011217483 [0,1,0,0,0,1|0,0,2]=4 1364 B11R0.176 COC[C@@H](C)OCCC=C(C)C 34a_100011934205_100011217483 [0,1,0,0,0,1|0,0,2]=4 1365 B11R0.6 C=C(C)CN(C)CCC=C(C)C 2230a_100000225649_100011217483 [0,2,0,0,0,0|2,0,0]=4 1366 B11R0.6 C=C(C)CN(C)CCC=C(C)C 269982a_100000225649_100011217483 [0,2,0,0,0,0|2,0,0]=4 1367 B11R0.6 CC(=CCCC(=CC(=O)[13CH3])C)C 1458a_100016995320_200025704644 [0,2,0,0,0,0|0,0,1]=3 1368 B11R0.6 CC(=CCCC(=O)CC(=O)N)C 1458a_100134613110_100011217483 [0,2,0,0,0,0|1,0,1]=4 1369 B11R0.6 CC(=CCCC(C)CC(=O)[13CH3])C 1458a_100000043202_200025704644 [0,2,0,0,0,0|0,0,0]=2 1370 B11R0.6 CC(=CCCC(C)CN(C)C)C 270004a_100102631434_100000033009 [0,2,0,0,0,0|1,0,1]=4 1371 B11R0.6 CC(=CCCC(C)OC(C)C)C 34a_100102619829_100000210206 [0,2,0,0,0,0|1,0,1]=4 1372 B11R0.6 CC(=CCCC(C)OC(C)C)C 7a_100102619829_100000210206 [0,2,0,0,0,0|1,0,1]=4 1373 B11R0.6 CC(=CCCN(C)CC(=O)N)C 2230a_100000739694_100011217483 [0,2,0,0,0,0|1,0,0]=3 1374 B11R0.6 CC(=CCCN(C)CC(=O)O)C 269956a_100000746989_100011217483 [0,2,0,0,0,0|1,0,0]=3 1375 B11R0.6 CC(=CCOC(C)C=C(C)C)C 34a_100000717055_100000761012 [0,2,0,0,0,0|2,0,0]=4 1376 B11R0.6 CC(=O)C=C(C)CCC=C(C)C 1458a_100016995320_200000210301 [0,2,0,0,0,0|0,0,1]=3 1377 B11R0.6 CC(=O)CC(C)CCC=C(C)C 1458a_100000043202_200000210301 [0,2,0,0,0,0|0,0,0]=2 1378 B11R0.6 CC(=O)NC(C)CCCC(C)C 11a_100000210607_100015343762 [0,2,0,0,0,0|0,0,2]=4 1379 B11R0.6 CC(=O)NC(C)CCCC(C)C 1626a_100000210607_100015343762 [0,2,0,0,0,0|0,0,2]=4 1380 B11R0.6 CC(=O)NC(C)CCCC(C)C 240690a_100000210607_100015343762 [0,2,0,0,0,0|0,0,2]=4 1381 B11R0.6 CC(=O)NC(C)CCCC(C)C 527a_100000210607_100103153847 [0,2,0,0,0,0|0,0,2]=4 1382 B11R0.6 CC(=O)OC(C)SCC=C(C)C 62a_100000761012_100009818208 [0,2,0,0,0,0|1,0,0]=3 1383 B11R0.6 CC(=O)OC(C)SCC=C(C)C 62a_100009818208_100000761012 [0,2,0,0,0,0|1,0,0]=3 1384 B11R0.45 C=CC(CCC)OCC=C(C)C 34a_100011216692_100000761012 [0,2,0,0,0,0|2,0,0]=4 1385 B11R0.45 C=CC(CCC)OCC=C(C)C 7a_100011216692_100000761012 [0,2,0,0,0,0|2,0,0]=4 1386 B11R0.45 C=CCC(C=C)OCC=C(C)C 34a_100000038011_100000761012 [0,2,0,0,0,0|2,0,0]=4 1387 B11R0.45 C=CCC(C=C)OCC=C(C)C 7a_100000038011_100000761012 [0,2,0,0,0,0|2,0,0]=4 1388 B11R0.45 C=CC[C@H](CO)NCC=C(C)C 2230a_100020615467_100000761012 [0,2,0,0,0,0|2,0,0]=4 1389 B11R0.59 C=CCC(C)C(=O)CC=C(C)C 1458a_100011216819_100000761012 [0,2,0,0,0,0|1,0,1]=4 1390 B11R0.104 C=CCC(C)(C)OCC=C(C)C 7a_100011995686_100000761012 [0,2,0,0,0,0|2,0,0]=4 1391 B11R0.147 C#CCOC(C)CCC=C(C)C 34a_100102619829_100000184674 [0,2,0,0,0,0|1,0,1]=4 1392 B11R0.147 C#CCOC(C)CCC=C(C)C 7a_100102619829_100000038162 [0,2,0,0,0,0|1,0,1]=4 1393 B11R0.147 C=CCCC(C)NCC=C(C)C 270004a_100000718196_100000762624 [0,2,0,0,0,0|2,0,0]=4 1394 B11R0.147 C=CCCC(C)OCC=C(C)C 34a_100000765329_100000761012 [0,2,0,0,0,0|2,0,0]=4 1395 B11R0.147 C=CCCC(C)OCC=C(C)C 7a_100000765329_100000761012 [0,2,0,0,0,0|2,0,0]=4 1396 B11R0.147 C=CCCN(C)CCC=C(C)C 2230a_100020639649_100011217483 [0,2,0,0,0,0|2,0,0]=4 1397 B11R0.147 C=CCCN(C)CCC=C(C)C 269982a_100020639649_100011217483 [0,2,0,0,0,0|2,0,0]=4 1398 B11R0.147 C=CCNC(C)CCC=C(C)C 270004a_100020586998_100000765506 [0,2,0,0,0,0|1,0,0]=3 1399 B11R0.147 C=CCOC(C)CCC=C(C)C 34a_100102619829_100015514636 [0,2,0,0,0,0|1,0,0]=3 1400 B11R0.147 C=CCOC(C)CCC=C(C)C 7a_100102619829_100015514636 [0,2,0,0,0,0|1,0,0]=3 1401 B11R0.147 CC(=CCC/C(=C/CN[13CH3])/C)C 2230a_200020676162_200025704644 [0,2,0,0,0,0|1,0,1]=4 1402 B11R0.147 CC(=CCC/C(=C/CN[13CH3])/C)C 34a_200020676162_200025704644 [0,2,0,0,0,0|1,0,1]=4 1403 B11R0.147 CC(=CCC/C(=C/CS[13CH3])/C)C 62a_100016991246_200025704644 [0,2,0,0,0,0|0,1,1]=4 1404 B11R0.147 CC(=CCC/C(=C/CS[13CH3])/C)C 62a_200025704644_100016991246 [0,2,0,0,0,0|0,1,1]=4 1405 B11R0.147 CC(=CCC/C(=C\CO[13CH3])/C)C 34a_100016990311_200025704644 [0,2,0,0,0,0|0,0,2]=4 1406 B11R0.147 CC(=CCC/C(=C\CO[13CH3])/C)C 7a_100016990311_200025704644 [0,2,0,0,0,0|0,0,2]=4 1407 B11R0.147 CC(=CCCC(C)CCO[13CH3])C 34a_100000017536_200025704644 [0,2,0,0,0,0|0,0,2]=4 1408 B11R0.147 CC(=CCCC(C)CCO[13CH3])C 7a_100000017536_200025704644 [0,2,0,0,0,0|0,0,2]=4 1409 B11R0.147 CC(=CCCC(C)CCS[13CH3])C 62a_100009814015_200025704644 [0,2,0,0,0,0|0,1,1]=4 1410 B11R0.147 CC(=CCCC(C)CCS[13CH3])C 62a_200025704644_100009814015 [0,2,0,0,0,0|0,1,1]=4 1411 B11R0.147 CC(=CCCC(C)NCCO)C 270004a_100000210304_100000765506 [0,2,0,0,0,0|0,0,2]=4 1412 B11R0.147 CC(=CCCC(C)OCC#N)C 7a_100102619829_100011215382 [0,2,0,0,0,0|1,0,1]=4 1413 B11R0.147 CC(=CCCC(C)OCC=O)C 34a_100102619829_200009817547 [0,2,0,0,0,0|0,0,0]=2 1414 B11R0.147 CC(=CCCC(C)OCC=O)C 7a_100102619829_200015260668 [0,2,0,0,0,0|0,0,0]=2 1415 B11R0.147 CC(=CCCC(C)OCCF)C 34a_100102619829_100011217306 [0,2,0,0,0,0|1,0,1]=4 1416 B11R0.147 CC(=CCCC(C)OCCF)C 7a_100102619829_100011217306 [0,2,0,0,0,0|1,0,1]=4 1417 B11R0.147 CC(=CCCC(C)OCCO)C 34a_100102619829_100000211926 [0,2,0,0,0,0|0,0,2]=4 1418 B11R0.147 CC(=CCCC(C)OCCO)C 7a_100102619829_100000211926 [0,2,0,0,0,0|0,0,2]=4 1419 B11R0.147 CC(C)CCCC(C)NCC=O 2230a_100000210607_200015260668 [0,2,0,0,0,0|0,0,2]=4 1420 B11R0.147 CC(C)CCCC(C)OCC=O 34a_200011218570_200009817547 [0,2,0,0,0,0|0,0,2]=4 1421 B11R0.147 CC(C)CCCC(C)OCC=O 7a_200011218570_200015260668 [0,2,0,0,0,0|0,0,2]=4 1422 B11R0.147 CCCNC(C)CCC=C(C)C 270004a_100020643023_100000765506 [0,2,0,0,0,0|1,0,1]=4 1423 B11R0.147 CCCOC(C)CCC=C(C)C 34a_100102619829_100000210303 [0,2,0,0,0,0|1,0,1]=4 1424 B11R0.147 CCCOC(C)CCC=C(C)C 7a_100102619829_100000210303 [0,2,0,0,0,0|1,0,1]=4 1425 B11R0.147 CCNCC(C)CCC=C(C)C 270004a_100015525214_100000033009 [0,2,0,0,0,0|1,0,1]=4 1426 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 2230a_106832991635_100016991246 [0,2,0,0,0,0|1,0,1]=4 1427 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_200000210301 [0,2,0,0,0,0|1,0,1]=4 1428 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 34a_100102657272_100016991246 [0,2,0,0,0,0|1,0,1]=4 1429 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 34a_200020676162_200000210301 [0,2,0,0,0,0|1,0,1]=4 1430 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 7a_106832991635_100016991246 [0,2,0,0,0,0|1,0,1]=4 1431 B11R0.147 CNCCC(C)CCC=C(C)C 2230a_106832991635_100009814015 [0,2,0,0,0,0|1,0,1]=4 1432 B11R0.147 CNCCC(C)CCC=C(C)C 269862a_106832991636_100000212096 [0,2,0,0,0,0|1,0,1]=4 1433 B11R0.147 CNCCC(C)CCC=C(C)C 270004a_106832991635_100000212096 [0,2,0,0,0,0|1,0,1]=4 1434 B11R0.147 CNCCC(C)CCC=C(C)C 34a_100102657272_100009814015 [0,2,0,0,0,0|1,0,1]=4 1435 B11R0.147 CNCCC(C)CCC=C(C)C 7a_106832991635_100009814015 [0,2,0,0,0,0|1,0,1]=4 1436 B11R0.147 COC/C=C(/C)\CCC=C(C)C 34a_100016990311_200000210301 [0,2,0,0,0,0|0,0,2]=4 1437 B11R0.147 COC/C=C(/C)\CCC=C(C)C 7a_100016990311_200000210301 [0,2,0,0,0,0|0,0,2]=4 1438 B11R0.147 COC/C=C(\C)/CCC=C(C)C 34a_100138415774_100016991246 [0,2,0,0,0,0|0,0,2]=4 1439 B11R0.147 COCCC(C)CCC=C(C)C 34a_100000017536_200000210301 [0,2,0,0,0,0|0,0,2]=4 1440 B11R0.147 COCCC(C)CCC=C(C)C 34a_100138415774_100009814015 [0,2,0,0,0,0|0,0,2]=4 1441 B11R0.147 COCCC(C)CCC=C(C)C 7a_100000017536_200000210301 [0,2,0,0,0,0|0,0,2]=4 1442 B11R0.147 CSC/C=C(\C)/CCC=C(C)C 62a_100016991246_200000210301 [0,2,0,0,0,0|0,1,1]=4 1443 B11R0.147 CSC/C=C(\C)/CCC=C(C)C 62a_200000210301_100016991246 [0,2,0,0,0,0|0,1,1]=4 1444 B11R0.147 CSCCC(C)CCC=C(C)C 62a_100009814015_200000210301 [0,2,0,0,0,0|0,1,1]=4 1445 B11R0.147 CSCCC(C)CCC=C(C)C 62a_200000210301_100009814015 [0,2,0,0,0,0|0,1,1]=4 1446 B11R0.147 CSCOC(C)CCC=C(C)C 34a_100102619829_100011218213 [0,2,0,0,0,0|0,1,1]=4 1447 B11R0.19 CC(=CC(C)OC(C=O)C=O)C 34a_100000717055_100000736813 [0,2,0,0,0,0|1,0,1]=4 1448 B11R0.33 CC(=CC(=O)N[C@H](C)C(=O)N)C 11a_100000119354_100000211388 [0,2,0,0,0,0|1,0,1]=4 1449 B11R0.33 CC(=CC(=O)N[C@H](C)C(=O)N)C 240690a_100000119354_100000211388 [0,2,0,0,0,0|1,0,1]=4 1450 B11R0.33 CC(=CC(C)OC(C)C(=O)N)C 34a_100000717055_100000702099 [0,2,0,0,0,0|1,0,0]=3 1451 B11R0.33 CC(=CC(C)OC(F)C(=O)N)C 34a_100000717055_100009813875 [0,2,0,0,0,0|2,0,0]=4 1452 B11R0.33 CC(=CC(C)OC(F)C(=O)[O-])C 34a_100000717055_100020610796 [0,2,0,0,0,0|2,0,0]=4 1453 B11R0.129 C=CC(C)(C)C(=O)CC=C(C)C 1458a_100012027013_100000761012 [0,2,0,0,0,0|1,0,1]=4 1454 B11R0.173 CC(=CCC(=O)C(C)C(=O)N)C 1458a_100011220947_100000702099 [0,2,0,0,0,0|0,0,1]=3 1455 B11R0.173 CC(=CCC(=O)C(F)C(=O)N)C 1458a_100011220947_100009813875 [0,2,0,0,0,0|1,0,1]=4 1456 B11R0.173 CC(=CCC(=O)C(F)C(=O)[O-])C 1458a_100011220947_100020610796 [0,2,0,0,0,0|1,0,1]=4 1457 B11R0.173 CC(=CCN(C)C(C)C(=O)O)C 269956a_100000749554_100000761012 [0,2,0,0,0,0|1,0,0]=3 1458 B11R0.173 CC(=O)C(C)C(=O)CC=C(C)C 1458a_100011220947_100000179758 [0,2,0,0,0,0|0,0,1]=3 1459 B11R0.202 CC(=CCNC(C)(C)C(=O)N)C 2230a_100000743658_100000761012 [0,2,0,0,0,0|1,0,0]=3 1460 B11R0.202 CC(=CCNC(C)(C)C(=O)N)C 34a_100000718196_100000702505 [0,2,0,0,0,0|1,0,0]=3 1461 B11R0.202 CC(=CCNC(C)(C)C(=O)N)C 34a_100000743658_100000761012 [0,2,0,0,0,0|1,0,0]=3 1462 B11R0.202 CC(=CCNC(F)(F)C(=O)[O-])C 34a_100000718196_100020612412 [0,2,0,0,0,0|2,0,0]=4 1463 B11R0.202 CC(=CCOC(C)(C)C(=O)N)C 34a_100000753907_100000702505 [0,2,0,0,0,0|1,0,0]=3 1464 B11R0.202 CC(=CCOC(C)(C)C(=O)N)C 34a_100011626353_100000761012 [0,2,0,0,0,0|1,0,0]=3 1465 B11R0.202 CC(=CCOC(C)(C)C(=O)N)C 7a_100011626353_100000761012 [0,2,0,0,0,0|1,0,0]=3 1466 B11R0.202 CC(=CCOC(F)(F)C(=O)[O-])C 34a_100000753907_100020612412 [0,2,0,0,0,0|2,0,0]=4 1467 B11R0.202 CC(=CCSC(C)(C)C(=O)N)C 62a_100000702505_100000761012 [0,2,0,0,0,0|1,0,0]=3 1468 B11R0.202 CC(=CCSC(C)(C)C(=O)N)C 62a_100000761012_100000702505 [0,2,0,0,0,0|1,0,0]=3 1469 B11R0.202 CC(=CCSC(C)(C)[N+](=O)[O-])C 62a_100000761012_200009813997 [0,2,0,0,0,0|2,0,0]=4 1470 B11R0.202 CC(=CCSC(C)(C)[N+](=O)[O-])C 62a_200009813997_100000761012 [0,2,0,0,0,0|2,0,0]=4 1471 B11R0.202 CC(=CCSC(F)(F)C(=O)N)C 62a_100000761012_100009811971 [0,2,0,0,0,0|2,0,0]=4 1472 B11R0.202 CC(=CCSC(F)(F)C(=O)N)C 62a_100009811971_100000761012 [0,2,0,0,0,0|2,0,0]=4 1473 B11R0.202 CC(=CCSC(F)(F)C(=O)[O-])C 62a_100000745680_100000761012 [0,2,0,0,0,0|2,0,0]=4 1474 B11R0.202 CC(=CCSC(F)(F)C(=O)[O-])C 62a_100000761012_100000745680 [0,2,0,0,0,0|2,0,0]=4 1475 B11R0.202 CC(=O)C(C)(C)OCC=C(C)C 34a_100000747739_100000761012 [0,2,0,0,0,0|1,0,0]=3 1476 B11R0.202 CC(=O)C(C)(C)OCC=C(C)C 7a_100000747739_100000761012 [0,2,0,0,0,0|1,0,0]=3 1477 B11R0.202 CC(=O)C(C)(C)SCC=C(C)C 62a_100000075568_100000761012 [0,2,0,0,0,0|1,0,0]=3 1478 B11R0.202 CC(=O)C(C)(C)SCC=C(C)C 62a_100000761012_100000075568 [0,2,0,0,0,0|1,0,0]=3 1479 B11R0.213 C#CC(C)(C=C)OCC=C(C)C 34a_100000033310_100000761012 [0,2,0,0,0,0|2,0,0]=4 1480 B11R0.213 C#CC(C)(C=C)OCC=C(C)C 7a_100000033310_100000761012 [0,2,0,0,0,0|2,0,0]=4 1481 B11R0.213 C#CC(C)(CCC=C(C)C)OC 34a_100102524899_200000210301 [0,2,0,0,0,0|1,0,1]=4 1482 B11R0.213 C#CC(C)(CCC=C(C)C)OC 7a_100102524899_200000210301 [0,2,0,0,0,0|1,0,1]=4 1483 B11R0.213 C#CC(C)(CCC=C(C)C)O[13CH3] 34a_100102524899_200025704644 [0,2,0,0,0,0|1,0,1]=4 1484 B11R0.213 C#CC(C)(CCC=C(C)C)O[13CH3] 7a_100102524899_200025704644 [0,2,0,0,0,0|1,0,1]=4 1485 B11R0.213 C=CC(C)(CCC=C(C)C)OC 34a_100000033386_200000210301 [0,2,0,0,0,0|1,0,0]=3 1486 B11R0.213 C=CC(C)(CCC=C(C)C)OC 7a_100000033386_200000210301 [0,2,0,0,0,0|1,0,0]=3 1487 B11R0.213 C=CC(C)(CCC=C(C)C)O[13CH3] 34a_100000033386_200025704644 [0,2,0,0,0,0|1,0,0]=3 1488 B11R0.213 C=CC(C)(CCC=C(C)C)O[13CH3] 7a_100000033386_200025704644 [0,2,0,0,0,0|1,0,0]=3 1489 B11R0.213 CCC(C)(CCC=C(C)C)OC 7a_100000035081_200000210301 [0,2,0,0,0,0|1,0,1]=4 1490 B11R0.213 CCC(C)(CCC=C(C)C)O[13CH3] 7a_100000035081_200025704644 [0,2,0,0,0,0|1,0,1]=4 1491 B11R0.273 C=CC(OCC=C(C)C)C(C)C 34a_100000732651_100000761012 [0,2,0,0,0,0|2,0,0]=4 1492 B11R0.273 C=CC(OCC=C(C)C)C(C)C 7a_100000732651_100000761012 [0,2,0,0,0,0|2,0,0]=4 1493 B11R0.273 C=C[C@H](NCC=C(C)C)C(=O)O 269956a_100016992060_100000761012 [0,2,0,0,0,0|1,0,1]=4 1494 B11R0.273 CC(=CCNC(C#N)C(=O)N)C 2230a_100000039599_100000761012 [0,2,0,0,0,0|1,0,1]=4 1495 B11R0.273 CC(=CCNC(CO)C(=O)O)C 269956a_100000187304_100000761012 [0,2,0,0,0,0|1,0,0]=3 1496 B11R0.273 CC(=CCN[C@@H](CO)C(=O)N)C 2230a_100000729942_100000761012 [0,2,0,0,0,0|1,0,0]=3 1497 B11R0.273 CC(=CCN[C@@H](CO)C(=O)N)C 34a_100000729942_100000761012 [0,2,0,0,0,0|1,0,0]=3 1498 B11R0.273 CCC(NCC=C(C)C)C(=O)N 2230a_100000733705_100000761012 [0,2,0,0,0,0|1,0,0]=3 1499 B11R0.273 CCC(NCC=C(C)C)C(=O)N 34a_100000718196_100000750255 [0,2,0,0,0,0|1,0,0]=3 1500 B11R0.273 CCC(NCC=C(C)C)C(=O)N 34a_100000733705_100000761012 [0,2,0,0,0,0|1,0,0]=3 1501 B11R0.273 CCC(OCC=C(C)C)C(=O)N 34a_100000753907_100000750255 [0,2,0,0,0,0|1,0,0]=3 1502 B11R0.273 CCC(SCC=C(C)C)C(=O)N 62a_100000750255_100000761012 [0,2,0,0,0,0|1,0,0]=3 1503 B11R0.273 CCC(SCC=C(C)C)C(=O)N 62a_100000761012_100000750255 [0,2,0,0,0,0|1,0,0]=3 1504 B11R0.273 CC[C@@H](NCC=C(C)C)C(=O)O 269956a_100000747097_100000761012 [0,2,0,0,0,0|1,0,0]=3 1505 B11R0.150 CC(=O)C(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011261029 [0,2,0,0,0,0|2,0,0]=4 1506 B11R0.150 CC(=O)C(=O)CN[C@H](C)C(=O)N 34a_100000119354_100011261029 [0,2,0,0,0,0|2,0,0]=4 1507 B11R0.150 CC(=O)C(=O)COC(C)C(=O)C 34a_100000212229_100011261029 [0,2,0,0,0,0|2,0,0]=4 1508 B11R0.150 CC(=O)C(=O)CO[C@H](C)C(=O)N 34a_100000731257_100011261029 [0,2,0,0,0,0|2,0,0]=4 1509 B11R0.150 CC(=O)C(=O)CSC(C)C(=O)C 62a_100009814033_100011261029 [0,2,0,0,0,0|2,0,0]=4 1510 B11R0.150 CC(=O)C(=O)CSC(C)C(=O)C 62a_100011261029_100009814033 [0,2,0,0,0,0|2,0,0]=4 1511 B11R0.150 CC(=O)C(=O)CSC(C)C(=O)N 62a_100000702099_100011261029 [0,2,0,0,0,0|2,0,0]=4 1512 B11R0.150 CC(=O)C(=O)CSC(C)C(=O)N 62a_100011261029_100000702099 [0,2,0,0,0,0|2,0,0]=4 1513 B11R0.150 CC(=O)C(C)NCC(=O)N(C)C 2230a_100015183351_100009814033 [0,2,0,0,0,0|2,0,0]=4 1514 B11R0.150 CC(=O)C(C)OCC(=O)C(C)C 34a_100000212229_100000753385 [0,2,0,0,0,0|1,0,1]=4 1515 B11R0.150 CC(=O)C(C)OCC(=O)N(C)C 34a_100000212229_100000692301 [0,2,0,0,0,0|2,0,0]=4 1516 B11R0.150 CC(=O)C(C)SCC(=O)C(C)C 62a_100000753385_100009814033 [0,2,0,0,0,0|1,0,1]=4 1517 B11R0.150 CC(=O)C(C)SCC(=O)C(C)C 62a_100009814033_100000753385 [0,2,0,0,0,0|1,0,1]=4 1518 B11R0.150 CC(=O)C(C)SCC(=O)N(C)C 62a_100000692301_100009814033 [0,2,0,0,0,0|2,0,0]=4 1519 B11R0.150 CC(=O)C(C)SCC(=O)N(C)C 62a_100009814033_100000692301 [0,2,0,0,0,0|2,0,0]=4 1520 B11R0.150 CC(=O)N(C)CCC(=O)C(C)C 1458a_100011216537_100000210206 [0,2,0,0,0,0|1,0,1]=4 1521 B11R0.150 CC(=O)N(C)CCC(=O)N(C)C 11a_100102631434_100011216537 [0,2,0,0,0,0|2,0,0]=4 1522 B11R0.150 CC(=O)N(C)CCC(=O)N(C)C 1626a_100102631434_100011216537 [0,2,0,0,0,0|2,0,0]=4 1523 B11R0.150 CC(=O)N(C)CCC(=O)N(C)C 240690a_100102631434_100011216537 [0,2,0,0,0,0|2,0,0]=4 1524 B11R0.150 CC(C)C(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000753385 [0,2,0,0,0,0|1,0,1]=4 1525 B11R0.150 CC(C)C(=O)CN[C@H](C)C(=O)N 2230a_100000119354_100000753385 [0,2,0,0,0,0|1,0,1]=4 1526 B11R0.150 CC(C)C(=O)CN[C@H](C)C(=O)N 34a_100000119354_100000753385 [0,2,0,0,0,0|1,0,1]=4 1527 B11R0.150 CC(C)C(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000753385 [0,2,0,0,0,0|1,0,1]=4 1528 B11R0.150 CC(C)C(=O)CO[C@H](C)C(=O)N 34a_100000731257_100000753385 [0,2,0,0,0,0|1,0,1]=4 1529 B11R0.150 CC(C)C(=O)CO[C@H](C)C(=O)N 7a_100000731257_100000753385 [0,2,0,0,0,0|1,0,1]=4 1530 B11R0.150 CC(C)C(=O)CSC(C)C(=O)N 62a_100000702099_100000753385 [0,2,0,0,0,0|1,0,1]=4 1531 B11R0.150 CC(C)C(=O)CSC(C)C(=O)N 62a_100000753385_100000702099 [0,2,0,0,0,0|1,0,1]=4 1532 B11R0.150 CC(NCC(=O)N(C)C)C(=O)N 2230a_100015183351_100000702099 [0,2,0,0,0,0|2,0,0]=4 1533 B11R0.150 CC(SCC(=O)N(C)C)C(=O)N 62a_100000692301_100000702099 [0,2,0,0,0,0|2,0,0]=4 1534 B11R0.150 CC(SCC(=O)N(C)C)C(=O)N 62a_100000702099_100000692301 [0,2,0,0,0,0|2,0,0]=4 1535 B11R0.150 C[C@@H](NCC(=O)N(C)C)C(=O)N 2230a_100000119354_100000185267 [0,2,0,0,0,0|2,0,0]=4 1536 B11R0.150 C[C@@H](NCC(=O)N(C)C)C(=O)N 34a_100000119354_100000692301 [0,2,0,0,0,0|2,0,0]=4 1537 B11R0.150 C[C@@H](OCC(=O)N(C)C)C(=O)N 34a_100000731257_100000692301 [0,2,0,0,0,0|2,0,0]=4 1538 B11R0.150 C[C@@H](OCC(=O)N(C)C)C(=O)N 7a_100000731257_100000692301 [0,2,0,0,0,0|2,0,0]=4 1539 B11R0.150 C[C@H](NCC(=O)N(C)C)C(=O)O 269956a_100000743915_100000692301 [0,2,0,0,0,0|2,0,0]=4 1540 B11R0.150 C[C@H](OCC(=O)N(C)C)C(=O)[O-] 7a_217856618621_100000692301 [0,2,0,0,0,0|2,0,0]=4 1541 B9R1.11 C=CC(C)N1CC=CC1 269982a_100015195280_100011215867 [1,0,0,1,0,0|2,0,0]=4 1542 B9R1.41 CC(=O)C1CCCC1=O 1458a_100000070787_100000211823 [1,0,0,1,0,0|1,0,1]=4 1543 B9R1.41 CN(C)C1CCCC1=O 2230a_100102631434_100000211823 [1,0,0,1,0,0|1,0,1]=4 1544 B9R1.41 CN(C)C1CCCC1=O 269982a_100102631434_100000211823 [1,0,0,1,0,0|1,0,1]=4 1545 B9R1.67 CC(C)NC1CCC1=O 34a_100138425928_100009892977 [1,0,0,1,0,0|1,0,1]=4 1546 B9R1.67 CC(C)OC1CCC1=O 34a_100000212225_100009892977 [1,0,0,1,0,0|1,0,1]=4 1547 B9R1.67 CC(C)SC1CCC1=O 62a_100000210206_100009892977 [1,0,0,1,0,0|1,0,1]=4 1548 B9R1.67 CC(C)SC1CCC1=O 62a_100009892977_100000210206 [1,0,0,1,0,0|1,0,1]=4 1549 B9R1.83 O=CCCCSC1CC1 62a_200011292268_100000211595 [1,0,0,1,0,0|1,0,1]=4 1550 B9R1.69 CN1CCN(C(=O)C1)C 2230a_100000187256_200000210301 [0,0,0,1,1,0|2,0,0]=4 1551 B9R1.69 CN1CCN(C(=O)C1)C 269982a_100000187256_200000210301 [0,0,0,1,1,0|2,0,0]=4 1552 B9R1.69 CN1CCN(CC1=O)[13CH3] 2230a_100000187256_200025704644 [0,0,0,1,1,0|2,0,0]=4 1553 B9R1.69 CN1CCN(CC1=O)[13CH3] 269982a_100000187256_200025704644 [0,0,0,1,1,0|2,0,0]=4 1554 B11R1.23 C#CC(C)N1CCC=C(C1)C 34a_100000725631_200000035995 [0,0,0,1,0,1|1,0,1]=4 1555 B11R1.23 C=CC(C)N1CCC=C(C1)C 269982a_100000725631_100011215867 [0,0,0,1,0,1|1,0,0]=3 1556 B11R1.23 CC1=CCCN(C1)C(C)C#N 2230a_100000725631_100000184139 [0,0,0,1,0,1|1,0,1]=4 1557 B11R1.23 CC1=CCCN(C1)C(C)C#N 269982a_100000725631_100000703298 [0,0,0,1,0,1|1,0,1]=4 1558 B11R1.23 CC1=CCCN(C1)C(C)CO 2230a_100000725631_100012180447 [0,0,0,1,0,1|0,0,2]=4 1559 B11R1.23 CC1=CCCN(C1)C(C)CO 34a_100000725631_100012180447 [0,0,0,1,0,1|0,0,2]=4 1560 B11R1.23 CC1=CCCN(C1)[C@H](C)CO 269982a_100000725631_100016084084 [0,0,0,1,0,1|0,0,2]=4 1561 B11R1.23 CCC(C)N1CCC=C(C1)C 2230a_100000725631_100000758301 [0,0,0,1,0,1|1,0,1]=4 1562 B11R1.23 CCC(C)N1CCC=C(C1)C 269982a_100000725631_100000758301 [0,0,0,1,0,1|1,0,1]=4 1563 B11R1.23 CCC(C)N1CCC=C(C1)C 34a_100000725631_100011215416 [0,0,0,1,0,1|1,0,1]=4 1564 B11R1.23 COC(C)N1CCC=C(C1)C 269982a_100000725631_100009879195 [0,0,0,1,0,1|2,0,0]=4 1565 B11R1.75 CC(=CCN1CC[C@H](C1)C)C 2230a_100016987628_100000761012 [0,0,0,1,0,1|1,0,1]=4 1566 B11R1.75 CC(=CCN1CC[C@H](C1)C)C 269982a_100016987628_100000761012 [0,0,0,1,0,1|1,0,1]=4 1567 B11R1.75 CC(=CCN1CC[C@H](C1)C)C 34a_100016987628_100000761012 [0,0,0,1,0,1|1,0,1]=4 1568 B11R1.102 CC(=CCCN[C@@H]1C[C@@H]1F)C 2230a_100015190264_100011217483 [0,0,0,1,0,1|1,0,1]=4 1569 B11R1.102 CC(=CCCN[C@@H]1C[C@H]1F)C 2230a_100025746932_100011217483 [0,0,0,1,0,1|1,0,1]=4 1570 B11R1.102 CC(=CCCN[C@@H]1C[C@H]1F)C 34a_100025746932_100011217483 [0,0,0,1,0,1|1,0,1]=4 1571 B11R1.102 CC(=CCOCC1CC1C)C 34a_100000744939_100000761012 [0,0,0,1,0,1|1,0,1]=4 1572 B11R1.102 CC(=CCOCC1CC1C)C 7a_100000744939_100000761012 [0,0,0,1,0,1|1,0,1]=4 1573 B11R1.161 CC(=CCCN1CCC1C)C 269982a_100000755817_100011217483 [0,0,0,1,0,1|1,0,1]=4 1574 B11R1.161 CC(=CCCN1CCC1C)C 34a_100000755817_100011217483 [0,0,0,1,0,1|1,0,1]=4 1575 B11R1.174 CC(=CCCNC1CCC1)C 2230a_100000749019_100011217483 [0,0,0,1,0,1|1,0,1]=4 1576 B11R1.174 CC(=CCCNC1CCC1)C 34a_100000749019_100011217483 [0,0,0,1,0,1|1,0,1]=4 1577 B11R1.174 CC(=CCCNC1COC1)C 2230a_100016991112_100011217483 [0,0,0,1,0,1|0,0,2]=4 1578 B11R1.174 CC(=CCCOC1CCC1)C 34a_100000748187_100011217483 [0,0,0,1,0,1|1,0,1]=4 1579 B11R1.174 CC(=CCCOC1CSC1)C 7a_100000072292_100011217483 [0,0,0,1,0,1|0,1,1]=4 1580 B11R1.174 CC(=CCCSC1CCC1)C 62a_100011217483_100000749161 [0,0,0,1,0,1|1,0,1]=4 1581 B11R1.174 CC(=CCCSC1COC1)C 62a_100011217483_100009818527 [0,0,0,1,0,1|0,0,2]=4 1582 B11R1.174 CC(=CCNCC1CCC1)C 2230a_100000738700_100000761012 [0,0,0,1,0,1|1,0,1]=4 1583 B11R1.174 CC(=CCNCC1CCC1)C 34a_100000718196_100000763275 [0,0,0,1,0,1|1,0,1]=4 1584 B11R1.174 CC(=CCNCC1CCC1)C 34a_100000738700_100000761012 [0,0,0,1,0,1|1,0,1]=4 1585 B11R1.174 CC(=CCNCC1CCO1)C 34a_100000718196_100000103362 [0,0,0,1,0,1|2,0,0]=4 1586 B11R1.174 CC(=CCNCC1COC1)C 2230a_100015281925_100000761012 [0,0,0,1,0,1|0,0,2]=4 1587 B11R1.174 CC(=CCNCC1COC1)C 34a_100000718196_100010264016 [0,0,0,1,0,1|0,0,2]=4 1588 B11R1.174 CC(=CCNCC1COC1)C 34a_100015281925_100000761012 [0,0,0,1,0,1|0,0,2]=4 1589 B11R1.174 CC(=CCNC[C@@H]1CCO1)C 2230a_100020831831_100000761012 [0,0,0,1,0,1|2,0,0]=4 1590 B11R1.174 CC(=CCNC[C@@H]1CCO1)C 34a_100020831831_100000761012 [0,0,0,1,0,1|2,0,0]=4 1591 B11R1.174 CC(=CCOCC1CCC1)C 34a_100000753907_100000763275 [0,0,0,1,0,1|1,0,1]=4 1592 B11R1.174 CC(=CCOCC1CCC1)C 34a_100000760304_100000761012 [0,0,0,1,0,1|1,0,1]=4 1593 B11R1.174 CC(=CCOCC1CCO1)C 34a_100000039022_100000761012 [0,0,0,1,0,1|2,0,0]=4 1594 B11R1.174 CC(=CCOCC1CCO1)C 34a_100000753907_100000103362 [0,0,0,1,0,1|2,0,0]=4 1595 B11R1.174 CC(=CCOCC1CNC1)C 34a_100016987283_100000761012 [0,0,0,1,0,1|1,0,1]=4 1596 B11R1.174 CC(=CCOCC1COC1)C 34a_100000060846_100000761012 [0,0,0,1,0,1|0,0,2]=4 1597 B11R1.174 CC(=CCOCC1COC1)C 34a_100000753907_100010264016 [0,0,0,1,0,1|0,0,2]=4 1598 B11R1.174 CC(=CCSCC1CCC1)C 62a_100000761012_100000763275 [0,0,0,1,0,1|1,0,1]=4 1599 B11R1.174 CC(=CCSCC1CCC1)C 62a_100000763275_100000761012 [0,0,0,1,0,1|1,0,1]=4 1600 B11R1.174 CC(=CCSCC1CCO1)C 62a_100000103362_100000761012 [0,0,0,1,0,1|2,0,0]=4 1601 B11R1.174 CC(=CCSCC1CCO1)C 62a_100000761012_100000103362 [0,0,0,1,0,1|2,0,0]=4 1602 B11R1.174 CC(=CCSCC1COC1)C 62a_100000761012_100010264016 [0,0,0,1,0,1|0,0,2]=4 1603 B11R1.174 CC(=CCSCC1COC1)C 62a_100010264016_100000761012 [0,0,0,1,0,1|0,0,2]=4 1604 B11R1.262 CC(=CCN1CC(C1)CF)C 269982a_100010363649_100000761012 [0,0,0,1,0,1|1,0,1]=4 1605 B11R1.262 CC(=CCN1CC(C1)CF)C 34a_100010363649_100000761012 [0,0,0,1,0,1|1,0,1]=4 1606 B11R1.262 CC(=CCN1CC(C1)CO)C 269982a_100016987283_100000761012 [0,0,0,1,0,1|0,0,2]=4 1607 B11R1.262 CC(=CCN1CC(C1)CO)C 34a_100016987283_100000761012 [0,0,0,1,0,1|0,0,2]=4 1608 B11R1.262 CCC1CN(C1)CC=C(C)C 2230a_100015205115_100000761012 [0,0,0,1,0,1|1,0,1]=4 1609 B11R1.262 CCC1CN(C1)CC=C(C)C 269982a_100015205115_100000761012 [0,0,0,1,0,1|1,0,1]=4 1610 B11R1.262 COC1CN(C1)CC=C(C)C 269982a_100000755009_100000761012 [0,0,0,1,0,1|2,0,0]=4 1611 B11R1.262 CSC1CN(C1)CC=C(C)C 269982a_100016990038_100000761012 [0,0,0,1,0,1|2,0,0]=4 1612 B11R1.717 CC(=CCCNC1(CC1)C)C 2230a_100000757604_100011217483 [0,0,0,1,0,1|1,0,1]=4 1613 B11R1.717 CC(=CCCOC1(CC1)C)C 7a_100011725673_100011217483 [0,0,0,1,0,1|1,0,1]=4 1614 B11R1.717 CC(=CCNCC1(CC1)C)C 2230a_100000766693_100000761012 [0,0,0,1,0,1|1,0,1]=4 1615 B11R1.717 CC(=CCNCC1(CO1)C)C 34a_100000718196_100000760498 [0,0,0,1,0,1|0,0,2]=4 1616 B11R1.717 CC(=CCOCC1(CC1)C)C 7a_100000698024_100000761012 [0,0,0,1,0,1|1,0,1]=4 1617 B11R1.717 CC(=CCOCC1(CO1)C)C 34a_100000753907_100000760498 [0,0,0,1,0,1|0,0,2]=4 1618 B11R1.717 CC(=CCSCC1(CO1)C)C 62a_100000760498_100000761012 [0,0,0,1,0,1|0,0,2]=4 1619 B11R1.717 CC(=CCSCC1(CO1)C)C 62a_100000761012_100000760498 [0,0,0,1,0,1|0,0,2]=4 1620 B11R1.154 C=C1CC(C1)NCC=C(C)C 2230a_100132301982_100000761012 [0,1,0,1,0,0|2,0,0]=4 1621 B11R1.154 CC(=CCSC1CC(=O)C1)C 62a_100009894365_100000761012 [0,1,0,1,0,0|1,0,0]=3 1622 B11R1.172 CC(=CCCN1CC=CC1)C 269982a_100015195280_100011217483 [0,1,0,1,0,0|2,0,0]=4 1623 B11R1.172 CC(=CCNC1CC=CC1)C 2230a_100015188752_100000761012 [0,1,0,1,0,0|2,0,0]=4 1624 B11R1.645 CC(C)NC1CC(OC1=O)C 2230a_100138425928_200000216747 [0,1,0,1,0,0|1,0,1]=4 1625 B11R1.645 CC(C)NC1CC(OC1=O)C 34a_100138425928_200000216747 [0,1,0,1,0,0|1,0,1]=4 1626 B11R1.645 CC(C)OC1CC(OC1=O)C 34a_100000212225_200000216747 [0,1,0,1,0,0|1,0,1]=4 1627 B11R1.645 CC1CC(C(=O)O1)SC(C)C 62a_100000210206_200000216747 [0,1,0,1,0,0|1,0,1]=4 1628 B11R1.645 CC1CC(C(=O)O1)SC(C)C 62a_200000216747_100000210206 [0,1,0,1,0,0|1,0,1]=4 1629 B11R1.22 C=CC(C)N1CC=C(CC1)C 269982a_100000693516_100011215867 [0,1,0,1,0,0|2,0,0]=4 1630 B11R1.22 CNC(C)C1CC=C(CC1)C 269862a_106832991636_100000073480 [0,1,0,1,0,0|2,0,0]=4 1631 B11R1.22 CNC(C)C1CC=C(CC1)C 270004a_106832991635_100000073480 [0,1,0,1,0,0|2,0,0]=4 1632 B11R1.175 CC(=O)N1CCC(C1)C(=O)N 11a_100000752358_100015343762 [0,1,0,1,0,0|2,0,0]=4 1633 B11R1.175 CC(=O)N1CCC(C1)C(=O)N 240690a_100000752358_100015343762 [0,1,0,1,0,0|2,0,0]=4 1634 B11R1.175 CC(=O)N1CCC(C1)C(=O)N 527a_100000752358_100103153847 [0,1,0,1,0,0|2,0,0]=4 1635 B11R1.175 CC(C)N1CCC(C1)C(=O)N 2230a_100000752358_100000210206 [0,1,0,1,0,0|1,0,1]=4 1636 B11R1.175 CC(C)N1CCC(C1)C(=O)N 269982a_100000752358_100000210206 [0,1,0,1,0,0|1,0,1]=4 1637 B11R1.175 CC(C)N1CCC(C1)C(=O)N 34a_100000752358_100000210206 [0,1,0,1,0,0|1,0,1]=4 1638 B11R1.730 CC(=O)C1CCOC(C1)(C)C 1458a_100000070787_100010191092 [0,1,0,1,0,0|1,0,1]=4 1639 B11R1.743 CC(C)N[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210206 [0,1,0,1,0,0|1,0,1]=4 1640 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [1,0,0,0,1,0|0,0,2]=4 1641 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [1,0,0,0,1,0|0,0,2]=4 1642 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [1,0,0,0,1,0|0,0,2]=4 1643 B7R0.6 C=C(C)CCN(C)C 2230a_100102631434_100000730704 [1,0,0,0,1,0|1,0,1]=4 1644 B7R0.6 C=C(C)CCN(C)C 269982a_100102631434_100000730704 [1,0,0,0,1,0|1,0,1]=4 1645 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [1,0,0,0,1,0|0,0,1]=3 1646 B7R0.6 CC(=CCN(C)C)C 2230a_100102631434_100000761012 [1,0,0,0,1,0|1,0,1]=4 1647 B7R0.6 CC(=CCN(C)C)C 269982a_100102631434_100000761012 [1,0,0,0,1,0|1,0,1]=4 1648 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [1,0,0,0,1,0|0,0,1]=3 1649 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [1,0,0,0,1,0|0,0,1]=3 1650 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [1,0,0,0,1,0|0,0,2]=4 1651 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [1,0,0,0,1,0|0,0,2]=4 1652 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [1,0,0,0,1,0|1,0,1]=4 1653 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [1,0,0,0,1,0|1,0,1]=4 1654 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [1,0,0,0,1,0|1,0,1]=4 1655 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [1,0,0,0,1,0|0,0,2]=4 1656 B7R0.6 CC(C)CCN(C)C 2230a_100000742789_200000210301 [1,0,0,0,1,0|1,0,1]=4 1657 B7R0.6 CC(C)CCN(C)C 2230a_100102631434_100000210312 [1,0,0,0,1,0|1,0,1]=4 1658 B7R0.6 CC(C)CCN(C)C 269982a_100000742789_200000210301 [1,0,0,0,1,0|1,0,1]=4 1659 B7R0.6 CC(C)CCN(C)C 269982a_100102631434_100000210312 [1,0,0,0,1,0|1,0,1]=4 1660 B7R0.6 CC(C)CCN(C)[13CH3] 2230a_100000742789_200025704644 [1,0,0,0,1,0|1,0,1]=4 1661 B7R0.6 CC(C)CCN(C)[13CH3] 269982a_100000742789_200025704644 [1,0,0,0,1,0|1,0,1]=4 1662 B7R0.6 CC(O)CCN(C)C 2230a_100102631434_100012276601 [1,0,0,0,1,0|1,0,1]=4 1663 B7R0.6 CC(O)CCN(C)C 269982a_100102631434_100012276601 [1,0,0,0,1,0|1,0,1]=4 1664 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [1,0,0,0,1,0|1,0,1]=4 1665 B7R0.2 C=CC(C)CC(=O)C 1458a_100011934298_200000210301 [0,0,0,0,2,0|2,0,0]=4 1666 B7R0.2 C=CC(C)CC(=O)[13CH3] 1458a_100011934298_200025704644 [0,0,0,0,2,0|2,0,0]=4 1667 B7R0.2 CC(=CC(C)O[13CH3])C 34a_100000717055_200025704644 [0,0,0,0,2,0|2,0,0]=4 1668 B7R0.2 COC(C)C=C(C)C 34a_100000717055_200000210301 [0,0,0,0,2,0|2,0,0]=4 1669 B11R0.111 C=CC(C)COCCC=C(C)C 34a_100011215527_100011217483 [0,0,0,0,0,2|1,0,0]=3 1670 B11R0.111 C=CC(C)COCCC=C(C)C 7a_100011215527_100011217483 [0,0,0,0,0,2|1,0,0]=3 1671 B11R0.111 C=CC(O)CSCCC=C(C)C 62a_100000730141_100011217483 [0,0,0,0,0,2|2,0,0]=4 1672 B11R0.111 C=CC(O)CSCCC=C(C)C 62a_100011217483_100000730141 [0,0,0,0,0,2|2,0,0]=4 1673 B11R0.111 C=C[C@H](N)COCCC=C(C)C 34a_100016989147_100011217483 [0,0,0,0,0,2|2,0,0]=4 1674 B11R0.111 CC(=CCCNCC(C)CO)C 34a_100000744482_100011217483 [0,0,0,0,0,2|0,0,2]=4 1675 B11R0.111 CC(=CCCOCC(C)CN)C 34a_100000744482_100011217483 [0,0,0,0,0,2|1,0,1]=4 1676 B11R0.111 CC(=CCCSC[C@@H](C)CO)C 62a_100000059175_100011217483 [0,0,0,0,0,2|0,0,2]=4 1677 B11R0.111 CC(=CCCSC[C@@H](C)CO)C 62a_100011217483_100000059175 [0,0,0,0,0,2|0,0,2]=4 1678 B11R0.111 CC(=CCNCCC(C)CO)C 2230a_106354213184_100000761012 [0,0,0,0,0,2|0,0,2]=4 1679 B11R0.111 CC(=CCNCCC(C)CO)C 34a_106354213184_100000761012 [0,0,0,0,0,2|0,0,2]=4 1680 B11R0.111 CCC(C)CCNCC=C(C)C 2230a_100020591266_100000761012 [0,0,0,0,0,2|1,0,1]=4 1681 B11R0.111 CCC(C)CCOCC=C(C)C 7a_100011215188_100000761012 [0,0,0,0,0,2|1,0,1]=4 1682 B11R0.111 CCC(C)CNCCC=C(C)C 2230a_100020588543_100011217483 [0,0,0,0,0,2|1,0,1]=4 1683 B11R0.111 CCC(C)CSCCC=C(C)C 62a_100000748023_100011217483 [0,0,0,0,0,2|1,0,1]=4 1684 B11R0.111 CCC(C)CSCCC=C(C)C 62a_100011217483_100000748023 [0,0,0,0,0,2|1,0,1]=4 1685 B11R0.111 CC[C@H](C)COCCC=C(C)C 7a_100009816381_100011217483 [0,0,0,0,0,2|1,0,1]=4 1686 B11R0.111 CC[C@H](C)CSCCC=C(C)C 62a_100009816398_100011217483 [0,0,0,0,0,2|1,0,1]=4 1687 B11R0.111 CC[C@H](C)CSCCC=C(C)C 62a_100011217483_100009816398 [0,0,0,0,0,2|1,0,1]=4 1688 B11R0.111 COC(C)CCOCC=C(C)C 7a_100000764861_100000761012 [0,0,0,0,0,2|2,0,0]=4 1689 B11R0.111 COC(C)COCCC=C(C)C 34a_100000690652_100011217483 [0,0,0,0,0,2|2,0,0]=4 1690 B11R0.111 CO[C@H](C)CNCCC=C(C)C 2230a_100020591295_100011217483 [0,0,0,0,0,2|2,0,0]=4