0 B10R0.65 C#CC(C)(C)NCC=C(C)C 34a_100000054563_100000761012 [0,0,0,0,0,0|2,0,2]=4 1 B10R0.65 C#CC(C)(C)NCC=C(C)C 34a_100000718196_100000038118 [0,0,0,0,0,0|2,0,2]=4 2 B10R0.65 C#CC(C)(C)OCC=C(C)C 34a_100000189450_100000761012 [0,0,0,0,0,0|2,0,2]=4 3 B10R0.65 C#CC(C)(C)OCC=C(C)C 34a_100000753907_100000038118 [0,0,0,0,0,0|2,0,2]=4 4 B10R0.65 C#CC(C)(C)OCC=C(C)C 7a_100000189450_100000761012 [0,0,0,0,0,0|2,0,2]=4 5 B10R0.65 C#CC(C)(C)SCC=C(C)C 62a_100000038118_100000761012 [0,0,0,0,0,0|2,0,2]=4 6 B10R0.65 C#CC(C)(C)SCC=C(C)C 62a_100000761012_100000038118 [0,0,0,0,0,0|2,0,2]=4 7 B10R0.65 C=CC(C)(C)OCC=C(C)C 34a_100011215311_100000761012 [0,0,0,0,0,0|2,0,0]=2 8 B10R0.65 C=CC(C)(C)OCC=C(C)C 7a_100011215311_100000761012 [0,0,0,0,0,0|2,0,0]=2 9 B10R0.65 C=CC(C)(C)OCCC(=C)C 34a_100011215311_100000730704 [0,0,0,0,0,0|2,0,2]=4 10 B10R0.65 C=CC(C)(C)OCCC(=C)C 7a_100011215311_100000730704 [0,0,0,0,0,0|2,0,2]=4 11 B10R0.65 C=CC(C)(C)OCCC(=O)C 7a_100011215311_100000053229 [0,0,0,0,0,0|3,0,1]=4 12 B10R0.65 C=CC(C)(C)OCCC(C)C 34a_100011215311_100000210312 [0,0,0,0,0,0|2,0,2]=4 13 B10R0.65 C=CC(C)(C)OCCC(C)C 7a_100011215311_100000210626 [0,0,0,0,0,0|2,0,2]=4 14 B10R0.65 C=CC(C)(C)OCCN(C)C 7a_100011215311_100000755713 [0,0,0,0,0,0|3,0,1]=4 15 B10R0.65 C=CC(C)(C)OCOC(=O)C 34a_100011215311_100009813279 [0,0,0,0,0,0|4,0,0]=4 16 B10R0.65 C=CC(C)(C)OCOC(C)C 34a_100011215311_100000709892 [0,0,0,0,0,0|3,0,1]=4 17 B10R0.65 C=CC(F)(F)SCC=C(C)C 62a_100000761012_100009814244 [0,0,0,0,0,0|3,0,0]=3 18 B10R0.65 C=CC(F)(F)SCC=C(C)C 62a_100009814244_100000761012 [0,0,0,0,0,0|3,0,0]=3 19 B10R0.65 CC(=CCNC(C)(C)C#N)C 34a_100000718196_100011162410 [0,0,0,0,0,0|3,0,1]=4 20 B10R0.65 CC(=CCNC(C)(C)CO)C 2230a_100000210608_100000761012 [0,0,0,0,0,0|3,0,1]=4 21 B10R0.65 CC(=CCOC(C)(C)C#N)C 34a_100000753907_100011162410 [0,0,0,0,0,0|3,0,1]=4 22 B10R0.65 CC(=CCOC(C)(C)C#N)C 34a_200015195151_100000761012 [0,0,0,0,0,0|3,0,1]=4 23 B10R0.65 CC(=CCOC(C)(C)CCl)C 7a_100000764493_100000761012 [0,0,0,0,0,0|3,0,1]=4 24 B10R0.65 CC(=CCSC(C)(C)C#N)C 62a_100000761012_100011162410 [0,0,0,0,0,0|3,0,1]=4 25 B10R0.65 CC(=CCSC(C)(C)C#N)C 62a_100011162410_100000761012 [0,0,0,0,0,0|3,0,1]=4 26 B10R0.65 CCC(C)(C)NCC=C(C)C 2230a_100000211385_100000761012 [0,0,0,0,0,0|2,0,2]=4 27 B10R0.65 CCC(C)(C)OCC=C(C)C 7a_100000210230_100000761012 [0,0,0,0,0,0|2,0,2]=4 28 B10R0.65 CCC(C)(C)SCC=C(C)C 62a_100000032637_100000761012 [0,0,0,0,0,0|2,0,2]=4 29 B10R0.65 CCC(C)(C)SCC=C(C)C 62a_100000761012_100000032637 [0,0,0,0,0,0|2,0,2]=4 30 B9R0.1 C#CC(C)NCC=C(C)C 2230a_100000707721_100000761012 [1,0,0,0,0,0|1,0,2]=4 31 B9R0.1 C#CC(C)NCC=C(C)C 34a_100000707721_100000761012 [1,0,0,0,0,0|1,0,2]=4 32 B9R0.1 C#CC(C)NCC=C(C)C 34a_100000718196_200000035995 [1,0,0,0,0,0|1,0,2]=4 33 B9R0.1 C#CC(C)OCC=C(C)C 34a_100000753907_200000035995 [1,0,0,0,0,0|1,0,2]=4 34 B9R0.1 C#CC(C)SCC=C(C)C 62a_200000035995_100000761012 [1,0,0,0,0,0|1,0,2]=4 35 B9R0.1 C#C[C@@H](C)OCC=C(C)C 34a_100009815206_100000761012 [1,0,0,0,0,0|1,0,2]=4 36 B9R0.1 C#C[C@@H](C)OCC=C(C)C 7a_100009815206_100000761012 [1,0,0,0,0,0|1,0,2]=4 37 B9R0.1 C=CC(=O)CCC=C(C)C 1458a_100000185746_100011217483 [1,0,0,0,0,0|0,0,2]=3 38 B9R0.1 C=CC(=O)NCC=C(C)C 1626a_100000718196_100000185746 [1,0,0,0,0,0|1,0,2]=4 39 B9R0.1 C=CC(C)COCC(=C)C 34a_100011215527_100000748629 [1,0,0,0,0,0|1,0,2]=4 40 B9R0.1 C=CC(C)COCC(=C)C 7a_100011215527_100000748629 [1,0,0,0,0,0|1,0,2]=4 41 B9R0.1 C=CC(C)COCC(C)C 34a_100011215527_100000210624 [1,0,0,0,0,0|1,0,2]=4 42 B9R0.1 C=CC(C)COCC(C)C 7a_100011215527_100000210760 [1,0,0,0,0,0|1,0,2]=4 43 B9R0.1 C=CC(C)OCC=C(C)C 34a_100000695699_100000761012 [1,0,0,0,0,0|1,0,0]=2 44 B9R0.1 C=CC(C)OCCC(=C)C 34a_100000695699_100000730704 [1,0,0,0,0,0|1,0,2]=4 45 B9R0.1 C=CC(C)OCCC(C)C 34a_100000695699_100000210312 [1,0,0,0,0,0|1,0,2]=4 46 B9R0.1 C=CC(C)OCOC(=O)C 34a_100000695699_100009813279 [1,0,0,0,0,0|3,0,0]=4 47 B9R0.1 C=CC(C)OCOC(C)C 34a_100000695699_100000709892 [1,0,0,0,0,0|2,0,1]=4 48 B9R0.1 C=CC(C)SCC=C(C)C 62a_100011215867_100000761012 [1,0,0,0,0,0|1,0,0]=2 49 B9R0.1 C=CC(C)SCCC(=C)C 62a_100011215867_100000730704 [1,0,0,0,0,0|1,0,2]=4 50 B9R0.1 C=CC(C)SCCC(=O)C 62a_100011215867_100000053229 [1,0,0,0,0,0|2,0,1]=4 51 B9R0.1 C=CC(C)SCCC(C)C 62a_100011215867_100000210312 [1,0,0,0,0,0|1,0,2]=4 52 B9R0.1 C=CC(C)SCCN(C)C 62a_100011215867_100000755713 [1,0,0,0,0,0|2,0,1]=4 53 B9R0.1 C=CC(C)SCOC(=O)C 62a_100011215867_100000076356 [1,0,0,0,0,0|3,0,0]=4 54 B9R0.1 C=CC(C)SCOC(C)C 62a_100011215867_100000709892 [1,0,0,0,0,0|2,0,1]=4 55 B9R0.1 C=CC(O)CNCC(C)C 2230a_100000210953_100000730141 [1,0,0,0,0,0|1,0,2]=4 56 B9R0.1 C=CC(O)CNCC(C)C 34a_100000210953_100000730141 [1,0,0,0,0,0|1,0,2]=4 57 B9R0.1 C=CC(O)COCC(=C)C 34a_100000210245_100000730141 [1,0,0,0,0,0|1,0,2]=4 58 B9R0.1 C=CC(O)COCC(=O)C 34a_100000211253_100000730141 [1,0,0,0,0,0|2,0,1]=4 59 B9R0.1 C=CC(O)COCC(C)C 34a_100000210257_100000730141 [1,0,0,0,0,0|1,0,2]=4 60 B9R0.1 C=CC(O)CSCC(=C)C 62a_100000730141_100000211660 [1,0,0,0,0,0|1,0,2]=4 61 B9R0.1 C=CC(O)CSCC(=C)C 62a_100000748629_100000730141 [1,0,0,0,0,0|1,0,2]=4 62 B9R0.1 C=CC(O)CSCC(C)C 62a_100000210624_100000730141 [1,0,0,0,0,0|1,0,2]=4 63 B9R0.1 C=CC(O)CSCC(C)C 62a_100000730141_100000210760 [1,0,0,0,0,0|1,0,2]=4 64 B9R0.1 CC(=CCCC(C)O[13CH3])C 34a_100102619829_200025704644 [1,0,0,0,0,0|1,0,1]=3 65 B9R0.1 CC(=CCCC(C)O[13CH3])C 7a_100102619829_200025704644 [1,0,0,0,0,0|1,0,1]=3 66 B9R0.1 CC(=CCNC(C)C#N)C 2230a_100000737613_100000761012 [1,0,0,0,0,0|2,0,1]=4 67 B9R0.1 CC(=CCNC(C)CO)C 34a_100000718196_100012180447 [1,0,0,0,0,0|2,0,1]=4 68 B9R0.1 CC(=CCN[C@H](C)CO)C 2230a_100000737577_100000761012 [1,0,0,0,0,0|2,0,1]=4 69 B9R0.1 CC(=CCOC(C)C#N)C 34a_100011218135_100000761012 [1,0,0,0,0,0|2,0,1]=4 70 B9R0.1 CC(=CCOC(C)CF)C 34a_100016041109_100000761012 [1,0,0,0,0,0|2,0,1]=4 71 B9R0.1 CC(=CCOC(C)CF)C 7a_100016041109_100000761012 [1,0,0,0,0,0|2,0,1]=4 72 B9R0.1 CC(=CCOC(C)CN)C 34a_100000210904_100000761012 [1,0,0,0,0,0|2,0,1]=4 73 B9R0.1 CC(=CCOC(C)CO)C 34a_100000753907_100012180447 [1,0,0,0,0,0|2,0,1]=4 74 B9R0.1 CC(=CCSC(C)C#N)C 62a_100000703298_100000761012 [1,0,0,0,0,0|2,0,1]=4 75 B9R0.1 CC(=CCSC(C)C#N)C 62a_100000761012_100000703298 [1,0,0,0,0,0|2,0,1]=4 76 B9R0.1 CC(=CCSC(C)CO)C 62a_100012180447_100000761012 [1,0,0,0,0,0|2,0,1]=4 77 B9R0.1 CC(=CCS[C@H](C)CO)C 62a_100000761012_100016084084 [1,0,0,0,0,0|2,0,1]=4 78 B9R0.1 CC(=CCS[C@H](C)CO)C 62a_100016084084_100000761012 [1,0,0,0,0,0|2,0,1]=4 79 B9R0.1 CCC(C)NCC=C(C)C 2230a_100000209981_100000761012 [1,0,0,0,0,0|1,0,2]=4 80 B9R0.1 CCC(C)NCC=C(C)C 34a_100000718196_100011215416 [1,0,0,0,0,0|1,0,2]=4 81 B9R0.1 CCC(C)OCC=C(C)C 34a_100000753907_100011215416 [1,0,0,0,0,0|1,0,2]=4 82 B9R0.1 CCC(C)OCC=C(C)C 7a_100000210228_100000761012 [1,0,0,0,0,0|1,0,2]=4 83 B9R0.1 CCC(C)SCC=C(C)C 62a_100000758301_100000761012 [1,0,0,0,0,0|1,0,2]=4 84 B9R0.1 CCC(C)SCC=C(C)C 62a_100000761012_100000758301 [1,0,0,0,0,0|1,0,2]=4 85 B9R0.1 CCN(C)CCC=C(C)C 2230a_100000225621_100011217483 [1,0,0,0,0,0|1,0,2]=4 86 B9R0.1 CCN(C)CCC=C(C)C 269982a_100000225621_100011217483 [1,0,0,0,0,0|1,0,2]=4 87 B9R0.1 CNC(C)CCC=C(C)C 270004a_106832991635_100000765506 [1,0,0,0,0,0|1,0,1]=3 88 B9R0.1 COC(C)CCC=C(C)C 34a_100102619829_200000210301 [1,0,0,0,0,0|1,0,1]=3 89 B9R0.1 COC(C)CCC=C(C)C 7a_100102619829_200000210301 [1,0,0,0,0,0|1,0,1]=3 90 B9R0.1 COC(C)SCC=C(C)C 62a_100000761012_100009879195 [1,0,0,0,0,0|2,0,1]=4 91 B9R0.1 COC(C)SCC=C(C)C 62a_100009879195_100000761012 [1,0,0,0,0,0|2,0,1]=4 92 B9R0.20 C=CC(C)(C)OC/C=C/C 34a_100011215311_100102629194 [1,0,0,0,0,0|2,0,0]=3 93 B9R0.20 C=CC(C)(C)OC/C=C/C 7a_100011215311_100102629194 [1,0,0,0,0,0|2,0,0]=3 94 B9R0.20 C=CC(C)(C)OCC=CC 34a_100011215311_100000070051 [1,0,0,0,0,0|2,0,0]=3 95 B9R0.20 C=CC(C)(C)OCC=CC 7a_100011215311_100000070051 [1,0,0,0,0,0|2,0,0]=3 96 B9R0.20 C=CC(F)(F)SC/C=C/C 62a_100009814244_100102629194 [1,0,0,0,0,0|3,0,0]=4 97 B9R0.20 C=CC(F)(F)SC/C=C/C 62a_100102629194_100009814244 [1,0,0,0,0,0|3,0,0]=4 98 B9R0.20 C=CC(F)(F)SCC=CC 62a_100000070051_100009814244 [1,0,0,0,0,0|3,0,0]=4 99 B9R0.20 C=CC(F)(F)SCC=CC 62a_100009814244_100000070051 [1,0,0,0,0,0|3,0,0]=4 100 B9R0.56 CC(=CCNC(C)(C)C)C 2230a_100000715429_100000761012 [1,0,0,0,0,0|2,0,1]=4 101 B9R0.56 CC(=CCNC(C)(C)C)C 34a_100000718196_100000210625 [1,0,0,0,0,0|2,0,1]=4 102 B9R0.56 CC(=CCOC(C)(C)C)C 34a_100000753907_100000210625 [1,0,0,0,0,0|2,0,1]=4 103 B9R0.56 CC(=CCOC(C)(C)C)C 34a_100015890283_100000761012 [1,0,0,0,0,0|2,0,1]=4 104 B9R0.56 CC(=CCOC(C)(C)C)C 7a_100015890283_100000761012 [1,0,0,0,0,0|2,0,1]=4 105 B9R0.56 CC(=CCSC(C)(C)C)C 62a_100000211941_100000761012 [1,0,0,0,0,0|2,0,1]=4 106 B9R0.56 CC(=CCSC(C)(C)C)C 62a_100000761012_100000211941 [1,0,0,0,0,0|2,0,1]=4 107 B9R0.56 CC(=O)NCCC(C)(C)O 1626a_100000707701_100015343762 [1,0,0,0,0,0|2,0,1]=4 108 B9R0.56 CC(=O)NCCC(C)(C)O 527a_100000707701_100103153847 [1,0,0,0,0,0|2,0,1]=4 109 B9R0.56 CC(C)NCCC(C)(C)O 2230a_100138425928_100000702414 [1,0,0,0,0,0|1,0,2]=4 110 B9R0.56 CC(C)NCCC(C)(C)O 34a_100138425928_100000702414 [1,0,0,0,0,0|1,0,2]=4 111 B9R0.56 CC(C)OCCC(C)(C)O 34a_100000212225_100000702414 [1,0,0,0,0,0|1,0,2]=4 112 B9R0.56 CC(C)SCCC(C)(C)O 62a_100000210206_100000702414 [1,0,0,0,0,0|1,0,2]=4 113 B9R0.56 CC(C)SCCC(C)(C)O 62a_100000702414_100000210206 [1,0,0,0,0,0|1,0,2]=4 114 B9R0.56 CN(C)CCCC(C)(C)O 2230a_100102631434_100009888830 [1,0,0,0,0,0|1,0,2]=4 115 B9R0.56 CN(C)CCCC(C)(C)O 269982a_100102631434_100009888830 [1,0,0,0,0,0|1,0,2]=4 116 B11R0.104 C=CCC(C)(C)OCC=C(C)C 7a_100011995686_100000761012 [0,1,0,0,0,0|2,0,0]=3 117 B11R0.129 C=CC(C)(C)C(=O)CC=C(C)C 1458a_100012027013_100000761012 [0,1,0,0,0,0|1,0,1]=3 118 B11R0.129 CCC(C)(O)C(=O)CC=C(C)C 1458a_100011219770_100000761012 [0,1,0,0,0,0|0,0,3]=4 119 B11R0.202 CC(=CCNC(C)(C)C(=O)N)C 2230a_100000743658_100000761012 [0,1,0,0,0,0|3,0,0]=4 120 B11R0.202 CC(=CCNC(C)(C)C(=O)N)C 34a_100000718196_100000702505 [0,1,0,0,0,0|3,0,0]=4 121 B11R0.202 CC(=CCNC(C)(C)C(=O)N)C 34a_100000743658_100000761012 [0,1,0,0,0,0|3,0,0]=4 122 B11R0.202 CC(=CCOC(C)(C)C(=O)N)C 34a_100000753907_100000702505 [0,1,0,0,0,0|3,0,0]=4 123 B11R0.202 CC(=CCOC(C)(C)C(=O)N)C 34a_100011626353_100000761012 [0,1,0,0,0,0|3,0,0]=4 124 B11R0.202 CC(=CCOC(C)(C)C(=O)N)C 7a_100011626353_100000761012 [0,1,0,0,0,0|3,0,0]=4 125 B11R0.202 CC(=CCSC(C)(C)C(=O)N)C 62a_100000702505_100000761012 [0,1,0,0,0,0|3,0,0]=4 126 B11R0.202 CC(=CCSC(C)(C)C(=O)N)C 62a_100000761012_100000702505 [0,1,0,0,0,0|3,0,0]=4 127 B11R0.202 CC(=O)C(C)(C)OCC=C(C)C 34a_100000747739_100000761012 [0,1,0,0,0,0|2,0,1]=4 128 B11R0.202 CC(=O)C(C)(C)OCC=C(C)C 7a_100000747739_100000761012 [0,1,0,0,0,0|2,0,1]=4 129 B11R0.202 CC(=O)C(C)(C)SCC=C(C)C 62a_100000075568_100000761012 [0,1,0,0,0,0|2,0,1]=4 130 B11R0.202 CC(=O)C(C)(C)SCC=C(C)C 62a_100000761012_100000075568 [0,1,0,0,0,0|2,0,1]=4 131 B11R0.213 C#CC(C)(C=C)OCC=C(C)C 34a_100000033310_100000761012 [0,1,0,0,0,0|2,0,0]=3 132 B11R0.213 C#CC(C)(C=C)OCC=C(C)C 7a_100000033310_100000761012 [0,1,0,0,0,0|2,0,0]=3 133 B11R0.213 C#CC(C)(CCC=C(C)C)OC 34a_100102524899_200000210301 [0,1,0,0,0,0|0,0,2]=3 134 B11R0.213 C#CC(C)(CCC=C(C)C)OC 7a_100102524899_200000210301 [0,1,0,0,0,0|0,0,2]=3 135 B11R0.213 C#CC(C)(CCC=C(C)C)O[13CH3] 34a_100102524899_200025704644 [0,1,0,0,0,0|0,0,2]=3 136 B11R0.213 C#CC(C)(CCC=C(C)C)O[13CH3] 7a_100102524899_200025704644 [0,1,0,0,0,0|0,0,2]=3 137 B11R0.213 C=CC(C)(CCC=C(C)C)OC 34a_100000033386_200000210301 [0,1,0,0,0,0|0,0,0]=1 138 B11R0.213 C=CC(C)(CCC=C(C)C)OC 7a_100000033386_200000210301 [0,1,0,0,0,0|0,0,0]=1 139 B11R0.213 C=CC(C)(CCC=C(C)C)O[13CH3] 34a_100000033386_200025704644 [0,1,0,0,0,0|0,0,0]=1 140 B11R0.213 C=CC(C)(CCC=C(C)C)O[13CH3] 7a_100000033386_200025704644 [0,1,0,0,0,0|0,0,0]=1 141 B11R0.213 C=CC(C)(CCCC(C)C)OC 34a_200000067283_200000210301 [0,1,0,0,0,0|0,0,2]=3 142 B11R0.213 C=CC(C)(CCCC(C)C)OC 7a_200000067283_200000210301 [0,1,0,0,0,0|0,0,2]=3 143 B11R0.213 C=CC(C)(CCCC(C)C)O[13CH3] 34a_200000067283_200025704644 [0,1,0,0,0,0|0,0,2]=3 144 B11R0.213 C=CC(C)(CCCC(C)C)O[13CH3] 7a_200000067283_200025704644 [0,1,0,0,0,0|0,0,2]=3 145 B11R0.213 CCC(C)(CCC=C(C)C)OC 7a_100000035081_200000210301 [0,1,0,0,0,0|0,0,2]=3 146 B11R0.213 CCC(C)(CCC=C(C)C)O[13CH3] 7a_100000035081_200025704644 [0,1,0,0,0,0|0,0,2]=3 147 B11R0.300 C=C[Si](C)(C)CC(=O)C=C(C)C 1458a_100000211388_100000038793 [0,1,0,0,0,0|1,1,1]=4 148 B11R0.302 C=CC(C)(C)OCC(=O)C(=O)C 34a_100011215311_100011261029 [0,1,0,0,0,0|3,0,0]=4 149 B11R0.302 C=CC(C)(C)OCC(=O)C(C)C 34a_100011215311_100000753385 [0,1,0,0,0,0|2,0,1]=4 150 B11R0.302 C=CC(C)(C)OCC(=O)C(C)C 7a_100011215311_100000753385 [0,1,0,0,0,0|2,0,1]=4 151 B11R0.302 C=CC(C)(C)OCC(=O)N(C)C 34a_100011215311_100000692301 [0,1,0,0,0,0|3,0,0]=4 152 B11R0.302 C=CC(C)(C)OCC(=O)N(C)C 7a_100011215311_100000692301 [0,1,0,0,0,0|3,0,0]=4 153 B9R0.64 C=CC(C)(C)OCC(=C)C 34a_100011215311_100000748629 [0,0,0,0,1,0|2,0,1]=4 154 B9R0.64 C=CC(C)(C)OCC(=C)C 7a_100011215311_100000748629 [0,0,0,0,1,0|2,0,1]=4 155 B9R0.64 C=CC(C)(C)OCC(C)C 34a_100011215311_100000210624 [0,0,0,0,1,0|2,0,1]=4 156 B9R0.64 C=CC(C)(C)OCC(C)C 7a_100011215311_100000210760 [0,0,0,0,1,0|2,0,1]=4 157 B11R0.127 C#CC(C)(C)NCCC=C(C)C 34a_100000054563_100011217483 [0,0,0,0,0,1|1,0,2]=4 158 B11R0.127 C#CC(C)(C)OCCC=C(C)C 34a_100000189450_100011217483 [0,0,0,0,0,1|1,0,2]=4 159 B11R0.127 C#CC(C)(C)OCCC=C(C)C 7a_100000189450_100011217483 [0,0,0,0,0,1|1,0,2]=4 160 B11R0.127 C#CC(C)(C)SCCC=C(C)C 62a_100000038118_100011217483 [0,0,0,0,0,1|1,0,2]=4 161 B11R0.127 C#CC(C)(C)SCCC=C(C)C 62a_100011217483_100000038118 [0,0,0,0,0,1|1,0,2]=4 162 B11R0.127 C=CC(C)(C)OCCC=C(C)C 34a_100011215311_100011217483 [0,0,0,0,0,1|1,0,0]=2 163 B11R0.127 C=CC(C)(C)OCCC=C(C)C 7a_100011215311_100011217483 [0,0,0,0,0,1|1,0,0]=2 164 B11R0.127 C=CC(C)(C)OCCC=C(F)F 34a_100011215311_200009816681 [0,0,0,0,0,1|3,0,0]=4 165 B11R0.127 C=CC(C)(C)OCCC=C(F)F 7a_100011215311_200009816681 [0,0,0,0,0,1|3,0,0]=4 166 B11R0.127 C=CC(C)(C)OCCCC(=O)C 34a_100011215311_100000685027 [0,0,0,0,0,1|2,0,1]=4 167 B11R0.127 C=CC(C)(C)OCCCC(=O)C 7a_100011215311_100011215641 [0,0,0,0,0,1|2,0,1]=4 168 B11R0.127 C=CC(C)(C)OCCCC(C)C 34a_100011215311_100011214892 [0,0,0,0,0,1|1,0,2]=4 169 B11R0.127 C=CC(C)(C)OCCCC(C)C 7a_100011215311_100011214892 [0,0,0,0,0,1|1,0,2]=4 170 B11R0.127 C=CC(C)(C)OCCCN(C)C 7a_100011215311_100000757444 [0,0,0,0,0,1|2,0,1]=4 171 B11R0.127 C=CC(C)(C)OCCNC(=O)C 7a_100011215311_100000189650 [0,0,0,0,0,1|3,0,0]=4 172 B11R0.127 C=CC(C)(C)OCCOC(=O)C 34a_100011215311_100009814007 [0,0,0,0,0,1|3,0,0]=4 173 B11R0.127 C=CC(C)(C)OCCOC(=O)C 7a_100011215311_100009814007 [0,0,0,0,0,1|3,0,0]=4 174 B11R0.127 C=CC(C)(C)OCCOC(C)C 34a_100011215311_100000211751 [0,0,0,0,0,1|2,0,1]=4 175 B11R0.127 C=CC(C)(C)OCCOC(C)C 7a_100011215311_100000211751 [0,0,0,0,0,1|2,0,1]=4 176 B11R0.127 C=CC(C)(C)OCCSC(C)C 34a_100011215311_100000730970 [0,0,0,0,0,1|2,0,1]=4 177 B11R0.127 C=CC(C)(C)OCCSC(C)C 7a_100011215311_100000730970 [0,0,0,0,0,1|2,0,1]=4 178 B11R0.127 C=CC(F)(F)SCCC=C(C)C 62a_100009814244_100011217483 [0,0,0,0,0,1|2,0,0]=3 179 B11R0.127 C=CC(F)(F)SCCC=C(C)C 62a_100011217483_100009814244 [0,0,0,0,0,1|2,0,0]=3 180 B11R0.127 C=C[Si](C)(C)CSCC=C(C)C 62a_100000038793_100000761012 [0,0,0,0,0,1|1,1,0]=3 181 B11R0.127 C=C[Si](C)(C)CSCC=C(C)C 62a_100000761012_100000038793 [0,0,0,0,0,1|1,1,0]=3 182 B11R0.127 CC(=CCCNC(C)(C)CO)C 2230a_100000210608_100011217483 [0,0,0,0,0,1|2,0,1]=4 183 B11R0.127 CC(=CCCOC(C)(C)C#N)C 34a_200015195151_100011217483 [0,0,0,0,0,1|2,0,1]=4 184 B11R0.127 CC(=CCCOC(C)(C)CCl)C 7a_100000764493_100011217483 [0,0,0,0,0,1|2,0,1]=4 185 B11R0.127 CC(=CCCSC(C)(C)C#N)C 62a_100011162410_100011217483 [0,0,0,0,0,1|2,0,1]=4 186 B11R0.127 CC(=CCCSC(C)(C)C#N)C 62a_100011217483_100011162410 [0,0,0,0,0,1|2,0,1]=4 187 B11R0.127 CC(=CCNCC(C)(C)CO)C 2230a_100020635058_100000761012 [0,0,0,0,0,1|2,0,1]=4 188 B11R0.127 CC(=CCNCC(C)(C)CO)C 34a_100000718196_100009813988 [0,0,0,0,0,1|2,0,1]=4 189 B11R0.127 CC(=CCOCC(C)(C)CCl)C 7a_100011217199_100000761012 [0,0,0,0,0,1|2,0,1]=4 190 B11R0.127 CC(=CCOCC(C)(C)CO)C 34a_100000753907_100009813988 [0,0,0,0,0,1|2,0,1]=4 191 B11R0.127 CC(=CCSCC(C)(C)CO)C 62a_100000761012_100009813988 [0,0,0,0,0,1|2,0,1]=4 192 B11R0.127 CC(=CCSCC(C)(C)CO)C 62a_100009813988_100000761012 [0,0,0,0,0,1|2,0,1]=4 193 B11R0.127 CCC(C)(C)COCC=C(C)C 7a_100000765029_100000761012 [0,0,0,0,0,1|1,0,2]=4 194 B11R0.127 CCC(C)(C)NCCC=C(C)C 2230a_100000211385_100011217483 [0,0,0,0,0,1|1,0,2]=4 195 B11R0.127 CCC(C)(C)OCCC=C(C)C 7a_100000210230_100011217483 [0,0,0,0,0,1|1,0,2]=4 196 B11R0.127 CCC(C)(C)SCCC=C(C)C 62a_100000032637_100011217483 [0,0,0,0,0,1|1,0,2]=4 197 B11R0.127 CCC(C)(C)SCCC=C(C)C 62a_100011217483_100000032637 [0,0,0,0,0,1|1,0,2]=4 198 B11R0.127 COC(C)(C)CNCC=C(C)C 2230a_100000763424_100000761012 [0,0,0,0,0,1|2,0,1]=4 199 B11R0.127 COC(C)(C)CNCC=C(C)C 34a_100000718196_100000701081 [0,0,0,0,0,1|2,0,1]=4 200 B11R0.127 COC(C)(C)COCC=C(C)C 34a_100000753907_100000701081 [0,0,0,0,0,1|2,0,1]=4 201 B11R0.127 COC(C)(C)CSCC=C(C)C 62a_100000701081_100000761012 [0,0,0,0,0,1|2,0,1]=4 202 B11R0.127 COC(C)(C)CSCC=C(C)C 62a_100000761012_100000701081 [0,0,0,0,0,1|2,0,1]=4 203 B11R0.127 CSC(C)(C)CNCC=C(C)C 270004a_100000718196_100009845794 [0,0,0,0,0,1|2,0,1]=4 204 B8R0.6 C=CC(C)OC/C=C/C 34a_100000695699_100102629194 [2,0,0,0,0,0|1,0,0]=3 205 B8R0.6 C=CC(C)OCC=CC 34a_100000695699_100000070051 [2,0,0,0,0,0|1,0,0]=3 206 B8R0.6 C=CC(C)SC/C=C/C 62a_100011215867_100102629194 [2,0,0,0,0,0|1,0,0]=3 207 B8R0.6 C=CC(C)SCC=CC 62a_100011215867_100000070051 [2,0,0,0,0,0|1,0,0]=3 208 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [2,0,0,0,0,0|1,0,1]=4 209 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [2,0,0,0,0,0|1,0,1]=4 210 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [2,0,0,0,0,0|1,0,1]=4 211 B8R0.7 C=CCCCCN(C)C 2230a_100012000471_200000210301 [2,0,0,0,0,0|1,0,1]=4 212 B8R0.7 C=CCCCCN(C)C 2230a_100102631434_100011215482 [2,0,0,0,0,0|1,0,1]=4 213 B8R0.7 C=CCCCCN(C)C 269982a_100012000471_200000210301 [2,0,0,0,0,0|1,0,1]=4 214 B8R0.7 C=CCCCCN(C)C 269982a_100102631434_100011215482 [2,0,0,0,0,0|1,0,1]=4 215 B8R0.7 C=CCCCCN(C)[13CH3] 2230a_100012000471_200025704644 [2,0,0,0,0,0|1,0,1]=4 216 B8R0.7 C=CCCCCN(C)[13CH3] 269982a_100012000471_200025704644 [2,0,0,0,0,0|1,0,1]=4 217 B8R0.7 C=CCCCNC(=O)C 11a_100000700776_100015343762 [2,0,0,0,0,0|2,0,0]=4 218 B8R0.7 C=CCCCNC(=O)C 1626a_100000700776_100015343762 [2,0,0,0,0,0|2,0,0]=4 219 B8R0.7 C=CCCCNC(=O)C 240690a_100000700776_100015343762 [2,0,0,0,0,0|2,0,0]=4 220 B8R0.7 C=CCCCNC(=O)C 527a_100000700776_100103153847 [2,0,0,0,0,0|2,0,0]=4 221 B8R0.7 C=CCCCNC(C)C 2230a_100000700776_100000210206 [2,0,0,0,0,0|1,0,1]=4 222 B8R0.7 C=CCCCNC(C)C 2230a_100138425928_100011713584 [2,0,0,0,0,0|1,0,1]=4 223 B8R0.7 C=CCCCNC(C)C 34a_100000700776_100000210206 [2,0,0,0,0,0|1,0,1]=4 224 B8R0.7 C=CCCCNC(C)C 34a_100138425928_100000757094 [2,0,0,0,0,0|1,0,1]=4 225 B8R0.7 C=CCCCOC(C)C 34a_100000212225_100000757094 [2,0,0,0,0,0|1,0,1]=4 226 B8R0.7 C=CCCCOC(C)C 34a_100000758997_100000210206 [2,0,0,0,0,0|1,0,1]=4 227 B8R0.7 C=CCCCOC(C)C 7a_100000758997_100000210206 [2,0,0,0,0,0|1,0,1]=4 228 B8R0.7 C=CCCCSC(C)C 62a_100000210206_100000757094 [2,0,0,0,0,0|1,0,1]=4 229 B8R0.7 C=CCCCSC(C)C 62a_100011713584_100000210206 [2,0,0,0,0,0|1,0,1]=4 230 B8R0.7 C=CCNCC=C(C)C 2230a_100020586998_100000761012 [2,0,0,0,0,0|1,0,0]=3 231 B8R0.7 C=CCNCC=C(C)C 34a_100000718196_100015514636 [2,0,0,0,0,0|1,0,0]=3 232 B8R0.7 C=CCOCC=C(C)C 34a_100000753907_100015514636 [2,0,0,0,0,0|1,0,0]=3 233 B8R0.7 C=CCOCC=C(C)C 34a_200000210373_100000761012 [2,0,0,0,0,0|1,0,0]=3 234 B8R0.7 C=CCSCC=C(C)C 62a_100000210623_100000761012 [2,0,0,0,0,0|1,0,0]=3 235 B8R0.7 C=CCSCC=C(C)C 62a_100000761012_100000210623 [2,0,0,0,0,0|1,0,0]=3 236 B8R0.7 CC(=CCNCC=O)C 34a_100000718196_200009817547 [2,0,0,0,0,0|2,0,0]=4 237 B8R0.7 CC(=CCOCC=O)C 34a_100000753907_200009817547 [2,0,0,0,0,0|2,0,0]=4 238 B8R0.7 CC(=CCSCC=O)C 62a_100000761012_200015260668 [2,0,0,0,0,0|2,0,0]=4 239 B8R0.7 CC(=CCSCC=O)C 62a_200015260668_100000761012 [2,0,0,0,0,0|2,0,0]=4 240 B8R0.28 CC(=CCCN(C)C)C 2230a_100102631434_100011217483 [2,0,0,0,0,0|1,0,1]=4 241 B8R0.28 CC(=CCCN(C)C)C 269982a_100102631434_100011217483 [2,0,0,0,0,0|1,0,1]=4 242 B8R0.28 CC(=CCNC(C)C)C 2230a_100138425928_100000761012 [2,0,0,0,0,0|1,0,1]=4 243 B8R0.28 CC(=CCNC(C)C)C 34a_100000718196_100000210206 [2,0,0,0,0,0|1,0,1]=4 244 B8R0.28 CC(=CCNC(C)C)C 34a_100138425928_100000761012 [2,0,0,0,0,0|1,0,1]=4 245 B8R0.28 CC(=CCOC(C)C)C 34a_100000212225_100000761012 [2,0,0,0,0,0|1,0,1]=4 246 B8R0.28 CC(=CCOC(C)C)C 34a_100000753907_100000210206 [2,0,0,0,0,0|1,0,1]=4 247 B8R0.28 CC(=CCSC(C)C)C 62a_100000210206_100000761012 [2,0,0,0,0,0|1,0,1]=4 248 B8R0.28 CC(=CCSC(C)C)C 62a_100000761012_100000210206 [2,0,0,0,0,0|1,0,1]=4 249 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [2,0,0,0,0,0|0,0,2]=4 250 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [2,0,0,0,0,0|1,0,1]=4 251 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [2,0,0,0,0,0|2,0,0]=4 252 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [2,0,0,0,0,0|2,0,0]=4 253 B8R0.28 CC(O)CCCN(C)C 2230a_100102631434_200000718107 [2,0,0,0,0,0|1,0,1]=4 254 B8R0.28 CC(O)CCCN(C)C 269982a_100102631434_200000718107 [2,0,0,0,0,0|1,0,1]=4 255 B8R0.28 CC(O)CCNC(C)C 2230a_100138425928_100012276601 [2,0,0,0,0,0|1,0,1]=4 256 B8R0.28 CC(O)CCNC(C)C 2230a_200000755665_100000210206 [2,0,0,0,0,0|1,0,1]=4 257 B8R0.28 CC(O)CCNC(C)C 34a_100138425928_100012276601 [2,0,0,0,0,0|1,0,1]=4 258 B8R0.28 CC(O)CCOC(C)C 34a_100000212225_100012276601 [2,0,0,0,0,0|1,0,1]=4 259 B8R0.28 CC(O)CCSC(C)C 62a_100000210206_100012276601 [2,0,0,0,0,0|1,0,1]=4 260 B8R0.28 CC(O)CCSC(C)C 62a_100012276601_100000210206 [2,0,0,0,0,0|1,0,1]=4 261 B8R0.25 C=CCOC(C)(C)C=C 34a_100011215311_100015514636 [2,0,0,0,0,0|2,0,0]=4 262 B8R0.25 C=CCOC(C)(C)C=C 7a_100011215311_100015514636 [2,0,0,0,0,0|2,0,0]=4 263 B10R0.3 C/C=C/C(C)OCC=C(C)C 34a_200102604097_100000761012 [1,1,0,0,0,0|1,0,0]=3 264 B10R0.3 C=CCC(=O)CCC=C(C)C 1458a_100000210193_100011217483 [1,1,0,0,0,0|0,0,2]=4 265 B10R0.3 C=CCN(C)CCC=C(C)C 2230a_100000225617_100011217483 [1,1,0,0,0,0|1,0,0]=3 266 B10R0.3 C=CCN(C)CCC=C(C)C 269982a_100000225617_100011217483 [1,1,0,0,0,0|1,0,0]=3 267 B10R0.3 C=CC[C@@H](C)OCC=C(C)C 34a_100000731007_100000761012 [1,1,0,0,0,0|1,0,0]=3 268 B10R0.3 C=CC[C@@H](C)OCC=C(C)C 7a_100000731007_100000761012 [1,1,0,0,0,0|1,0,0]=3 269 B10R0.3 CC(=CCCC(=O)C=CBr)C 1458a_100016273825_100011217483 [1,1,0,0,0,0|0,0,2]=4 270 B10R0.3 CC(=CCCC(=O)C=CCl)C 1458a_200016279998_100011217483 [1,1,0,0,0,0|0,0,2]=4 271 B10R0.3 CC(=CCCC(=O)C=CI)C 1458a_100016256311_100011217483 [1,1,0,0,0,0|0,0,2]=4 272 B10R0.3 CC(=CCCC(C)OCF)C 34a_100102619829_100015361967 [1,1,0,0,0,0|1,0,1]=4 273 B10R0.3 CC(=CCCC(C)OCF)C 7a_100102619829_100015361967 [1,1,0,0,0,0|1,0,1]=4 274 B10R0.3 CC=CC(=O)CCC=C(C)C 1458a_100000210699_100011217483 [1,1,0,0,0,0|0,0,2]=4 275 B10R0.3 CCNC(C)CCC=C(C)C 270004a_100015525214_100000765506 [1,1,0,0,0,0|0,0,2]=4 276 B10R0.3 CCOC(C)CCC=C(C)C 34a_100102619829_100000210202 [1,1,0,0,0,0|0,0,2]=4 277 B10R0.3 CCOC(C)CCC=C(C)C 7a_100102619829_100000210202 [1,1,0,0,0,0|0,0,2]=4 278 B10R0.3 CNCC(C)CCC=C(C)C 270004a_106832991635_100000033009 [1,1,0,0,0,0|0,0,2]=4 279 B10R0.57 C=CC(C)C(=O)CC=C(C)C 1458a_100011216780_100000761012 [1,1,0,0,0,0|0,0,1]=3 280 B10R0.77 C=CC(C=C)OCC=C(C)C 34a_100000033096_100000761012 [1,1,0,0,0,0|1,0,1]=4 281 B10R0.77 C=CC(CC)OCC=C(C)C 34a_100000766422_100000761012 [1,1,0,0,0,0|1,0,0]=3 282 B10R0.77 C=CC(CC)OCC=C(C)C 7a_100000766422_100000761012 [1,1,0,0,0,0|1,0,0]=3 283 B10R0.77 C=C[C@@H](CO)NCC=C(C)C 2230a_100016989147_100000761012 [1,1,0,0,0,0|1,0,0]=3 284 B10R0.77 C=C[C@@H](CO)NCC=C(C)C 34a_100016989147_100000761012 [1,1,0,0,0,0|1,0,0]=3 285 B10R0.82 C=CC(C)OCC(=O)C(=O)C 34a_100000695699_100011261029 [1,1,0,0,0,0|2,0,0]=4 286 B10R0.82 C=CC(C)OCC(=O)C(C)C 34a_100000695699_100000753385 [1,1,0,0,0,0|1,0,1]=4 287 B10R0.82 C=CC(C)OCC(=O)N(C)C 34a_100000695699_100000692301 [1,1,0,0,0,0|2,0,0]=4 288 B10R0.82 C=CC(C)SCC(=O)C(=O)C 62a_100011215867_100011261029 [1,1,0,0,0,0|2,0,0]=4 289 B10R0.82 C=CC(C)SCC(=O)C(C)C 62a_100011215867_100000753385 [1,1,0,0,0,0|1,0,1]=4 290 B10R0.82 C=CC(C)SCC(=O)N(C)C 62a_100011215867_100000692301 [1,1,0,0,0,0|2,0,0]=4 291 B10R0.98 C=C(C)C(=O)CCC=C(C)C 1458a_100000185857_100011217483 [1,1,0,0,0,0|0,0,2]=4 292 B10R0.98 CC(=CCCC(C)N(C)C)C 270004a_100102631434_100000765506 [1,1,0,0,0,0|1,0,1]=4 293 B10R0.98 CC(=CCNC(C)C(=O)N)C 34a_100000718196_100000702099 [1,1,0,0,0,0|2,0,0]=4 294 B10R0.98 CC(=CCN[C@@H](C)C(=O)O)C 269956a_100000743915_100000761012 [1,1,0,0,0,0|2,0,0]=4 295 B10R0.98 CC(=CCN[C@H](C)C(=O)N)C 2230a_100000119354_100000761012 [1,1,0,0,0,0|2,0,0]=4 296 B10R0.98 CC(=CCN[C@H](C)C(=O)N)C 34a_100000119354_100000761012 [1,1,0,0,0,0|2,0,0]=4 297 B10R0.98 CC(=CCOC(C)C(=O)N)C 34a_100000753907_100000702099 [1,1,0,0,0,0|2,0,0]=4 298 B10R0.98 CC(=CCO[C@@H](C)C(=O)[O-])C 7a_217856618621_100000761012 [1,1,0,0,0,0|2,0,0]=4 299 B10R0.98 CC(=CCO[C@H](C)C(=O)N)C 34a_100000731257_100000761012 [1,1,0,0,0,0|2,0,0]=4 300 B10R0.98 CC(=CCO[C@H](C)C(=O)N)C 7a_100000731257_100000761012 [1,1,0,0,0,0|2,0,0]=4 301 B10R0.98 CC(=CCSC(C)C(=O)N)C 62a_100000702099_100000761012 [1,1,0,0,0,0|2,0,0]=4 302 B10R0.98 CC(=CCSC(C)C(=O)N)C 62a_100000761012_100000702099 [1,1,0,0,0,0|2,0,0]=4 303 B10R0.98 CC(=O)C(C)OCC=C(C)C 34a_100000212229_100000761012 [1,1,0,0,0,0|1,0,1]=4 304 B10R0.98 CC(=O)C(C)SCC=C(C)C 62a_100000761012_100009814033 [1,1,0,0,0,0|1,0,1]=4 305 B10R0.98 CC(=O)C(C)SCC=C(C)C 62a_100009814033_100000761012 [1,1,0,0,0,0|1,0,1]=4 306 B10R0.40 C=CC(C)(C)C(=O)C/C=C/C 1458a_100012027013_100102629194 [1,1,0,0,0,0|1,0,1]=4 307 B10R0.40 C=CC(C)(C)C(=O)CC=CC 1458a_100012027013_100000070051 [1,1,0,0,0,0|1,0,1]=4 308 B10R0.62 C=CC(C)(C)OC/C=C\CC 34a_100011215311_100103147603 [1,1,0,0,0,0|2,0,0]=4 309 B10R0.62 C=CC(C)(C)OC/C=C\CC 7a_100011215311_100103147603 [1,1,0,0,0,0|2,0,0]=4 310 B10R0.62 C=C[Si](C)(C)CSC/C=C/C 62a_100000038793_100102629194 [1,1,0,0,0,0|1,1,0]=4 311 B10R0.62 C=C[Si](C)(C)CSC/C=C/C 62a_100102629194_100000038793 [1,1,0,0,0,0|1,1,0]=4 312 B10R0.62 C=C[Si](C)(C)CSCC=CC 62a_100000038793_100000070051 [1,1,0,0,0,0|1,1,0]=4 313 B10R0.62 C=C[Si](C)(C)CSCC=CC 62a_100000070051_100000038793 [1,1,0,0,0,0|1,1,0]=4 314 B10R0.156 C=CCC(C)(C)OC/C=C/C 7a_100011995686_100102629194 [1,1,0,0,0,0|2,0,0]=4 315 B10R0.156 C=CCC(C)(C)OCC=CC 7a_100011995686_100000070051 [1,1,0,0,0,0|2,0,0]=4 316 B10R0.157 C#CC(C)(C=C)OC/C=C/C 34a_100000033310_100102629194 [1,1,0,0,0,0|2,0,0]=4 317 B10R0.157 C#CC(C)(C=C)OC/C=C/C 7a_100000033310_100102629194 [1,1,0,0,0,0|2,0,0]=4 318 B10R0.157 C#CC(C)(C=C)OCC=CC 34a_100000033310_100000070051 [1,1,0,0,0,0|2,0,0]=4 319 B10R0.157 C#CC(C)(C=C)OCC=CC 7a_100000033310_100000070051 [1,1,0,0,0,0|2,0,0]=4 320 B10R0.12 CC(=CCC(=O)C(C)(C)O)C 1458a_100000242741_100000761012 [1,1,0,0,0,0|0,0,2]=4 321 B12R0.172 C=CCC(C)(C)OCCC=C(C)C 7a_100011995686_100011217483 [0,1,0,0,0,1|1,0,0]=3 322 B12R0.172 C=CC[Si](C)(C)CSCC=C(C)C 62a_100000046978_100000761012 [0,1,0,0,0,1|1,1,0]=4 323 B12R0.172 C=CC[Si](C)(C)CSCC=C(C)C 62a_100000761012_100000046978 [0,1,0,0,0,1|1,1,0]=4 324 B12R0.209 C=CC(C)(C)OCCC(=O)N(C)C 7a_100011215311_100000737620 [0,1,0,0,0,1|2,0,0]=4 325 B12R0.349 C=CC(C)(C)C(=O)CCC=C(C)C 1458a_100012027013_100011217483 [0,1,0,0,0,1|1,0,0]=3 326 B12R0.349 C=CC(C)(C)C(=O)NCC=C(C)C 11a_100000718196_100012027013 [0,1,0,0,0,1|1,0,1]=4 327 B12R0.349 C=CC(C)(C)C(=O)NCC=C(C)C 1626a_100000718196_100012027013 [0,1,0,0,0,1|1,0,1]=4 328 B12R0.349 C=CC(C)(C)C(=O)NCC=C(C)C 527a_100000718196_100012027013 [0,1,0,0,0,1|1,0,1]=4 329 B12R0.349 CCC(C)(O)C(=O)CCC=C(C)C 1458a_100011219770_100011217483 [0,1,0,0,0,1|0,0,2]=4 330 B12R0.595 C=C[Si](C)(C)CC(=O)CC=C(C)C 1458a_100011220947_100000038793 [0,1,0,0,0,1|1,1,0]=4 331 B12R0.595 CCC(C)(O)CC(=O)CC=C(C)C 1458a_200011219800_100000761012 [0,1,0,0,0,1|0,0,2]=4 332 B12R0.692 CC(=CCCNC(C)(C)C(=O)N)C 2230a_100000743658_100011217483 [0,1,0,0,0,1|2,0,0]=4 333 B12R0.692 CC(=CCCNC(C)(C)C(=O)N)C 34a_100000743658_100011217483 [0,1,0,0,0,1|2,0,0]=4 334 B12R0.692 CC(=CCCOC(C)(C)C(=O)N)C 34a_100011626353_100011217483 [0,1,0,0,0,1|2,0,0]=4 335 B12R0.692 CC(=CCCOC(C)(C)C(=O)N)C 7a_100011626353_100011217483 [0,1,0,0,0,1|2,0,0]=4 336 B12R0.692 CC(=CCCSC(C)(C)C(=O)N)C 62a_100000702505_100011217483 [0,1,0,0,0,1|2,0,0]=4 337 B12R0.692 CC(=CCCSC(C)(C)C(=O)N)C 62a_100011217483_100000702505 [0,1,0,0,0,1|2,0,0]=4 338 B12R0.692 CC(=CCNCC(C)(C)C(=O)N)C 2230a_100000740840_100000761012 [0,1,0,0,0,1|2,0,0]=4 339 B12R0.692 CC(=CCNCC(C)(C)C(=O)N)C 34a_100000718196_200009895572 [0,1,0,0,0,1|2,0,0]=4 340 B12R0.692 CC(=CCNCC(C)(C)C(=O)N)C 34a_100000740840_100000761012 [0,1,0,0,0,1|2,0,0]=4 341 B12R0.692 CC(=CCNCC(C)(C)C(=O)O)C 269956a_100000693527_100000761012 [0,1,0,0,0,1|2,0,0]=4 342 B12R0.692 CC(=CCOCC(C)(C)C(=O)N)C 34a_100000753907_200009895572 [0,1,0,0,0,1|2,0,0]=4 343 B12R0.692 CC(=CCSCC(C)(C)C(=O)N)C 62a_100000761012_200009895572 [0,1,0,0,0,1|2,0,0]=4 344 B12R0.692 CC(=CCSCC(C)(C)C(=O)N)C 62a_200009895572_100000761012 [0,1,0,0,0,1|2,0,0]=4 345 B12R0.692 CC(=O)C(C)(C)OCCC=C(C)C 34a_100000747739_100011217483 [0,1,0,0,0,1|1,0,1]=4 346 B12R0.692 CC(=O)C(C)(C)OCCC=C(C)C 7a_100000747739_100011217483 [0,1,0,0,0,1|1,0,1]=4 347 B12R0.692 CC(=O)C(C)(C)SCCC=C(C)C 62a_100000075568_100011217483 [0,1,0,0,0,1|1,0,1]=4 348 B12R0.692 CC(=O)C(C)(C)SCCC=C(C)C 62a_100011217483_100000075568 [0,1,0,0,0,1|1,0,1]=4 349 B12R0.777 C#CC(C)(C=C)OCCC=C(C)C 34a_100000033310_100011217483 [0,1,0,0,0,1|1,0,0]=3 350 B12R0.777 C#CC(C)(C=C)OCCC=C(C)C 7a_100000033310_100011217483 [0,1,0,0,0,1|1,0,0]=3 351 B12R0.777 COC(C)(CNCC=C(C)C)OC 2230a_100000732740_100000761012 [0,1,0,0,0,1|1,0,1]=4 352 B12R0.777 COC(C)(CNCC=C(C)C)OC 34a_100000718196_100000766008 [0,1,0,0,0,1|1,0,1]=4 353 B12R0.777 COC(C)(COCC=C(C)C)OC 34a_100000753907_100000766008 [0,1,0,0,0,1|1,0,1]=4 354 B12R0.777 COC(C)(CSCC=C(C)C)OC 62a_100000761012_100000766008 [0,1,0,0,0,1|1,0,1]=4 355 B12R0.777 COC(C)(CSCC=C(C)C)OC 62a_100000766008_100000761012 [0,1,0,0,0,1|1,0,1]=4 356 B12R0.174 C=CCC(C)(C)C(=O)CC=C(C)C 1458a_100000705796_100000761012 [0,2,0,0,0,0|1,0,1]=4 357 B12R0.282 C#CC(C)(CCC=C(C)C)OCC 34a_100102524899_100000210202 [0,2,0,0,0,0|0,0,2]=4 358 B12R0.282 C#CC(C)(CCC=C(C)C)OCC 7a_100102524899_100000210202 [0,2,0,0,0,0|0,0,2]=4 359 B12R0.282 C#CC(C)(CCC=C(C)C)OCF 34a_100102524899_100015361967 [0,2,0,0,0,0|0,0,2]=4 360 B12R0.282 C#CC(C)(CCC=C(C)C)OCF 7a_100102524899_100015361967 [0,2,0,0,0,0|0,0,2]=4 361 B12R0.282 C=CC(C)(CCC=C(C)C)OCC 34a_100000033386_100000210202 [0,2,0,0,0,0|0,0,0]=2 362 B12R0.282 C=CC(C)(CCC=C(C)C)OCC 7a_100000033386_100000210202 [0,2,0,0,0,0|0,0,0]=2 363 B12R0.282 C=CC(C)(CCC=C(C)C)OCF 34a_100000033386_100015361967 [0,2,0,0,0,0|0,0,0]=2 364 B12R0.282 C=CC(C)(CCC=C(C)C)OCF 7a_100000033386_100015361967 [0,2,0,0,0,0|0,0,0]=2 365 B12R0.282 C=CC(C)(CCCC(C)C)OCC 34a_200000067283_100000210202 [0,2,0,0,0,0|0,0,2]=4 366 B12R0.282 C=CC(C)(CCCC(C)C)OCC 7a_200000067283_100000210202 [0,2,0,0,0,0|0,0,2]=4 367 B12R0.282 C=CC(C)(CCCC(C)C)OCF 34a_200000067283_100015361967 [0,2,0,0,0,0|0,0,2]=4 368 B12R0.282 C=CC(C)(CCCC(C)C)OCF 7a_200000067283_100015361967 [0,2,0,0,0,0|0,0,2]=4 369 B12R0.282 C=CCC(C)(CC)OCC=C(C)C 7a_200011216962_100000761012 [0,2,0,0,0,0|2,0,0]=4 370 B12R0.282 CCC(C)(CCC=C(C)C)OCF 7a_100000035081_100015361967 [0,2,0,0,0,0|0,0,2]=4 371 B12R0.282 CCOC(C)(CC)CCC=C(C)C 7a_100000035081_100000210202 [0,2,0,0,0,0|0,0,2]=4 372 B12R0.331 C=CC#CC(C)(C)OCC=C(C)C 34a_100000015972_100000761012 [0,2,0,0,0,0|2,0,0]=4 373 B12R0.331 C=CC#CC(C)(C)OCC=C(C)C 7a_100000015972_100000761012 [0,2,0,0,0,0|2,0,0]=4 374 B12R0.260 C=C(Cl)C(C)(C)C(=O)CC=C(C)C 1458a_100000049003_100000761012 [0,2,0,0,0,0|1,0,1]=4 375 B10R1.235 C=C[C@@]1(C[C@@H](C1)C(=O)C)O 1458a_214967552222_200000210301 [0,0,0,1,1,0|1,0,0]=3 376 B10R1.235 C=C[C@@]1(C[C@@H](C1)C(=O)[13CH3])O 1458a_214967552222_200025704644 [0,0,0,1,1,0|1,0,0]=3 377 B12R1.10 C=CC(F)(F)N1CCC=C(C1)C 269982a_100000725631_100009814244 [0,0,0,1,0,1|2,0,0]=4 378 B12R1.671 CCC1(CO1)CNCC=C(C)C 34a_100000718196_200000139556 [0,0,0,1,0,1|0,0,2]=4 379 B12R1.671 CCC1(CO1)COCC=C(C)C 34a_100000753907_200000139556 [0,0,0,1,0,1|0,0,2]=4 380 B12R1.671 CCC1(CO1)CSCC=C(C)C 62a_100000761012_200000139556 [0,0,0,1,0,1|0,0,2]=4 381 B12R1.671 CCC1(CO1)CSCC=C(C)C 62a_200000139556_100000761012 [0,0,0,1,0,1|0,0,2]=4 382 B12R1.1806 CC(=CCN1CCC(C1)(C)O)C 2230a_100000718628_100000761012 [0,0,0,1,0,1|0,0,2]=4 383 B12R1.1806 CC(=CCN1CCC(C1)(C)O)C 269982a_100000718628_100000761012 [0,0,0,1,0,1|0,0,2]=4 384 B12R1.2433 CCC1(CN(C1)CC=C(C)C)O 2230a_100015191684_100000761012 [0,0,0,1,0,1|0,0,2]=4 385 B12R1.2433 CCC1(CN(C1)CC=C(C)C)O 269982a_100015191684_100000761012 [0,0,0,1,0,1|0,0,2]=4 386 B12R1.2795 CC(=CCNCC1(CCC1)O)C 2230a_100000752638_100000761012 [0,0,0,1,0,1|0,0,2]=4 387 B12R1.2795 CC(=CCNCC1(COC1)O)C 2230a_100010264505_100000761012 [0,0,0,1,0,1|1,0,1]=4 388 B12R1.2372 C=CC1(COC1)OCC=C(C)C 34a_100000118599_100000761012 [0,1,0,1,0,0|1,0,0]=3 389 B12R1.2372 C=CC1(COC1)OCC=C(C)C 7a_100000118599_100000761012 [0,1,0,1,0,0|1,0,0]=3 390 B12R1.3825 C=C(C)[C@H]1C=C[C@@](CC1)(C)OC 34a_100015729468_200000210301 [0,1,0,1,0,0|0,0,2]=4 391 B12R1.3825 C=C(C)[C@H]1C=C[C@@](CC1)(C)OC 7a_100015729468_200000210301 [0,1,0,1,0,0|0,0,2]=4 392 B12R1.3825 C=C(C)[C@H]1C=C[C@@](CC1)(C)O[13CH3] 34a_100015729468_200025704644 [0,1,0,1,0,0|0,0,2]=4 393 B12R1.3825 C=C(C)[C@H]1C=C[C@@](CC1)(C)O[13CH3] 7a_100015729468_200025704644 [0,1,0,1,0,0|0,0,2]=4 394 B12R1.2445 C=C[C@@]1(C[C@@H](C1)C(=O)C(C)C)O 1458a_214967552222_100000210206 [0,1,0,1,0,0|0,0,1]=3 395 B12R1.2445 C=C[C@@]1(C[C@@H](C1)C(=O)N(C)C)O 240690a_100102631434_214967552222 [0,1,0,1,0,0|1,0,0]=3 396 B12R1.2445 C=C[C@@]1(C[C@@H](C1)C(=O)N(C)C)O 527a_100102631434_214967552222 [0,1,0,1,0,0|1,0,0]=3 397 B8R0.9 C=CC(=O)CC=C(C)C 1458a_100000185746_100000761012 [1,0,0,0,1,0|0,0,2]=4 398 B8R0.9 C=CC(C)COC(C)C 34a_100011215527_100000210206 [1,0,0,0,1,0|1,0,1]=4 399 B8R0.9 C=CC(C)COC(C)C 7a_100011215527_100000210206 [1,0,0,0,1,0|1,0,1]=4 400 B8R0.9 C=CC(C)OCC(=C)C 34a_100000695699_100000748629 [1,0,0,0,1,0|1,0,1]=4 401 B8R0.9 C=CC(C)OCC(C)C 34a_100000695699_100000210624 [1,0,0,0,1,0|1,0,1]=4 402 B8R0.9 C=CC(C)SCC(=C)C 62a_100011215867_100000211660 [1,0,0,0,1,0|1,0,1]=4 403 B8R0.9 C=CC(C)SCC(C)C 62a_100011215867_100000210760 [1,0,0,0,1,0|1,0,1]=4 404 B8R0.9 C=CC(O)CNC(C)C 2230a_100138425928_100000730141 [1,0,0,0,1,0|1,0,1]=4 405 B8R0.9 C=CC(O)CNC(C)C 34a_100138425928_100000730141 [1,0,0,0,1,0|1,0,1]=4 406 B8R0.9 C=CC(O)COC(C)C 34a_100000212225_100000730141 [1,0,0,0,1,0|1,0,1]=4 407 B8R0.9 C=CC(O)CSC(C)C 62a_100000210206_100000730141 [1,0,0,0,1,0|1,0,1]=4 408 B8R0.9 C=CC(O)CSC(C)C 62a_100000730141_100000210206 [1,0,0,0,1,0|1,0,1]=4 409 B8R0.29 CN(C)CCC(C)(C)O 2230a_100102631434_100000702414 [1,0,0,0,1,0|1,0,1]=4 410 B10R0.55 C#CC(C)NCCC=C(C)C 2230a_100000707721_100011217483 [1,0,0,0,0,1|0,0,2]=4 411 B10R0.55 C#CC(C)NCCC=C(C)C 34a_100000707721_100011217483 [1,0,0,0,0,1|0,0,2]=4 412 B10R0.55 C#CC(C)SCCC=C(C)C 62a_200000035995_100011217483 [1,0,0,0,0,1|0,0,2]=4 413 B10R0.55 C#C[C@@H](C)OCCC=C(C)C 34a_100009815206_100011217483 [1,0,0,0,0,1|0,0,2]=4 414 B10R0.55 C#C[C@@H](C)OCCC=C(C)C 7a_100009815206_100011217483 [1,0,0,0,0,1|0,0,2]=4 415 B10R0.55 C=CC(C)COCC=C(C)C 34a_100011215527_100000761012 [1,0,0,0,0,1|0,0,0]=2 416 B10R0.55 C=CC(C)COCC=C(C)C 7a_100011215527_100000761012 [1,0,0,0,0,1|0,0,0]=2 417 B10R0.55 C=CC(C)COCCC(=C)C 34a_100011215527_100000730704 [1,0,0,0,0,1|0,0,2]=4 418 B10R0.55 C=CC(C)COCCC(=C)C 7a_100011215527_100000730704 [1,0,0,0,0,1|0,0,2]=4 419 B10R0.55 C=CC(C)COCCC(=O)C 7a_100011215527_100000053229 [1,0,0,0,0,1|1,0,1]=4 420 B10R0.55 C=CC(C)COCCC(C)C 34a_100011215527_100000210312 [1,0,0,0,0,1|0,0,2]=4 421 B10R0.55 C=CC(C)COCCC(C)C 7a_100011215527_100000210626 [1,0,0,0,0,1|0,0,2]=4 422 B10R0.55 C=CC(C)COCCN(C)C 7a_100011215527_100000755713 [1,0,0,0,0,1|1,0,1]=4 423 B10R0.55 C=CC(C)COCOC(=O)C 34a_100011215527_100009813279 [1,0,0,0,0,1|2,0,0]=4 424 B10R0.55 C=CC(C)COCOC(C)C 34a_100011215527_100000709892 [1,0,0,0,0,1|1,0,1]=4 425 B10R0.55 C=CC(C)OCCC=C(C)C 34a_100000695699_100011217483 [1,0,0,0,0,1|0,0,0]=2 426 B10R0.55 C=CC(C)OCCC=C(F)F 34a_100000695699_200009816681 [1,0,0,0,0,1|2,0,0]=4 427 B10R0.55 C=CC(C)OCCCC(=O)C 34a_100000695699_100000685027 [1,0,0,0,0,1|1,0,1]=4 428 B10R0.55 C=CC(C)OCCCC(C)C 34a_100000695699_100011214892 [1,0,0,0,0,1|0,0,2]=4 429 B10R0.55 C=CC(C)OCCOC(=O)C 34a_100000695699_100009814007 [1,0,0,0,0,1|2,0,0]=4 430 B10R0.55 C=CC(C)OCCOC(C)C 34a_100000695699_100000211751 [1,0,0,0,0,1|1,0,1]=4 431 B10R0.55 C=CC(C)OCCSC(C)C 34a_100000695699_100000730970 [1,0,0,0,0,1|1,0,1]=4 432 B10R0.55 C=CC(C)SCCC=C(C)C 62a_100011215867_100011217483 [1,0,0,0,0,1|0,0,0]=2 433 B10R0.55 C=CC(C)SCCC=C(F)F 62a_100011215867_200009816681 [1,0,0,0,0,1|2,0,0]=4 434 B10R0.55 C=CC(C)SCCCC(=O)C 62a_100011215867_100011215641 [1,0,0,0,0,1|1,0,1]=4 435 B10R0.55 C=CC(C)SCCCC(C)C 62a_100011215867_100011214892 [1,0,0,0,0,1|0,0,2]=4 436 B10R0.55 C=CC(C)SCCCN(C)C 62a_100011215867_100000757444 [1,0,0,0,0,1|1,0,1]=4 437 B10R0.55 C=CC(C)SCCNC(=O)C 62a_100011215867_100000189650 [1,0,0,0,0,1|2,0,0]=4 438 B10R0.55 C=CC(C)SCCOC(=O)C 62a_100011215867_100009814007 [1,0,0,0,0,1|2,0,0]=4 439 B10R0.55 C=CC(C)SCCOC(C)C 62a_100011215867_100000211751 [1,0,0,0,0,1|1,0,1]=4 440 B10R0.55 C=CC(C)SCCSC(C)C 62a_100011215867_100000730970 [1,0,0,0,0,1|1,0,1]=4 441 B10R0.55 C=CC(O)CNCC=C(C)C 34a_100000718196_100000730141 [1,0,0,0,0,1|0,0,0]=2 442 B10R0.55 C=CC(O)COCC=C(C)C 34a_100000753907_100000730141 [1,0,0,0,0,1|0,0,0]=2 443 B10R0.55 C=CC(O)COCCC(=C)C 34a_100000764851_100000730141 [1,0,0,0,0,1|0,0,2]=4 444 B10R0.55 C=CC(O)COCCC(=O)C 34a_100000759926_100000730141 [1,0,0,0,0,1|1,0,1]=4 445 B10R0.55 C=CC(O)COCCC(=O)C 7a_100000759926_100000730141 [1,0,0,0,0,1|1,0,1]=4 446 B10R0.55 C=CC(O)COCCC(C)C 34a_100000210254_100000730141 [1,0,0,0,0,1|0,0,2]=4 447 B10R0.55 C=CC(O)COCCC(C)C 7a_100000210254_100000730141 [1,0,0,0,0,1|0,0,2]=4 448 B10R0.55 C=CC(O)CSCC=C(C)C 62a_100000730141_100000761012 [1,0,0,0,0,1|0,0,0]=2 449 B10R0.55 C=CC(O)CSCC=C(C)C 62a_100000761012_100000730141 [1,0,0,0,0,1|0,0,0]=2 450 B10R0.55 C=CC(O)CSCCC(=C)C 62a_100000730141_100000730704 [1,0,0,0,0,1|0,0,2]=4 451 B10R0.55 C=CC(O)CSCCC(=C)C 62a_100000730704_100000730141 [1,0,0,0,0,1|0,0,2]=4 452 B10R0.55 C=CC(O)CSCCC(=O)C 62a_100000053229_100000730141 [1,0,0,0,0,1|1,0,1]=4 453 B10R0.55 C=CC(O)CSCCC(=O)C 62a_100000730141_100000053229 [1,0,0,0,0,1|1,0,1]=4 454 B10R0.55 C=CC(O)CSCCC(C)C 62a_100000210312_100000730141 [1,0,0,0,0,1|0,0,2]=4 455 B10R0.55 C=CC(O)CSCCC(C)C 62a_100000730141_100000210312 [1,0,0,0,0,1|0,0,2]=4 456 B10R0.55 C=CC(O)CSCCN(C)C 62a_100000730141_100000755713 [1,0,0,0,0,1|1,0,1]=4 457 B10R0.55 C=CC(O)CSCOC(=O)C 62a_100000076356_100000730141 [1,0,0,0,0,1|2,0,0]=4 458 B10R0.55 C=CC(O)CSCOC(=O)C 62a_100000730141_100000076356 [1,0,0,0,0,1|2,0,0]=4 459 B10R0.55 C=CC(O)CSCOC(C)C 62a_100000709892_100000730141 [1,0,0,0,0,1|1,0,1]=4 460 B10R0.55 C=CC(O)CSCOC(C)C 62a_100000730141_100000709892 [1,0,0,0,0,1|1,0,1]=4 461 B10R0.55 C=C[C@H](N)COCC=C(C)C 34a_100016989147_100000761012 [1,0,0,0,0,1|1,0,0]=3 462 B10R0.55 CC(=CCCNC(C)C#N)C 2230a_100000737613_100011217483 [1,0,0,0,0,1|1,0,1]=4 463 B10R0.55 CC(=CCCN[C@H](C)CO)C 2230a_100000737577_100011217483 [1,0,0,0,0,1|1,0,1]=4 464 B10R0.55 CC(=CCCOC(C)C#N)C 34a_100011218135_100011217483 [1,0,0,0,0,1|1,0,1]=4 465 B10R0.55 CC(=CCCOC(C)CF)C 34a_100016041109_100011217483 [1,0,0,0,0,1|1,0,1]=4 466 B10R0.55 CC(=CCCOC(C)CF)C 7a_100016041109_100011217483 [1,0,0,0,0,1|1,0,1]=4 467 B10R0.55 CC(=CCCOC(C)CN)C 34a_100000210904_100011217483 [1,0,0,0,0,1|1,0,1]=4 468 B10R0.55 CC(=CCCSC(C)C#N)C 62a_100000703298_100011217483 [1,0,0,0,0,1|1,0,1]=4 469 B10R0.55 CC(=CCCSC(C)C#N)C 62a_100011217483_100000703298 [1,0,0,0,0,1|1,0,1]=4 470 B10R0.55 CC(=CCCSC(C)CO)C 62a_100012180447_100011217483 [1,0,0,0,0,1|1,0,1]=4 471 B10R0.55 CC(=CCCS[C@H](C)CO)C 62a_100011217483_100016084084 [1,0,0,0,0,1|1,0,1]=4 472 B10R0.55 CC(=CCCS[C@H](C)CO)C 62a_100016084084_100011217483 [1,0,0,0,0,1|1,0,1]=4 473 B10R0.55 CC(=CCNCC(C)CO)C 34a_100000744482_100000761012 [1,0,0,0,0,1|1,0,1]=4 474 B10R0.55 CC(=CCNCC(O)CO)C 34a_100000718196_100011219619 [1,0,0,0,0,1|1,0,1]=4 475 B10R0.55 CC(=CCNC[C@@H](C)CO)C 34a_100000718196_100000059175 [1,0,0,0,0,1|1,0,1]=4 476 B10R0.55 CC(=CCNC[C@@H](O)CF)C 34a_100000718196_100015614560 [1,0,0,0,0,1|1,0,1]=4 477 B10R0.55 CC(=CCNC[C@@H](O)CO)C 34a_100000718196_100009815848 [1,0,0,0,0,1|1,0,1]=4 478 B10R0.55 CC(=CCNC[C@H](O)CO)C 2230a_100020644852_100000761012 [1,0,0,0,0,1|1,0,1]=4 479 B10R0.55 CC(=CCOCC(C)CN)C 34a_100000744482_100000761012 [1,0,0,0,0,1|1,0,1]=4 480 B10R0.55 CC(=CCOCC(O)CO)C 34a_100000753907_100011219619 [1,0,0,0,0,1|1,0,1]=4 481 B10R0.55 CC(=CCOC[C@@H](C)CO)C 34a_100000753907_100000059175 [1,0,0,0,0,1|1,0,1]=4 482 B10R0.55 CC(=CCOC[C@@H](O)CF)C 34a_100000753907_100015614560 [1,0,0,0,0,1|1,0,1]=4 483 B10R0.55 CC(=CCOC[C@@H](O)CO)C 34a_100000753907_100009815848 [1,0,0,0,0,1|1,0,1]=4 484 B10R0.55 CC(=CCSCC(O)CO)C 62a_100000761012_100011219619 [1,0,0,0,0,1|1,0,1]=4 485 B10R0.55 CC(=CCSCC(O)CO)C 62a_100011219619_100000761012 [1,0,0,0,0,1|1,0,1]=4 486 B10R0.55 CC(=CCSC[C@@H](C)CO)C 62a_100000059175_100000761012 [1,0,0,0,0,1|1,0,1]=4 487 B10R0.55 CC(=CCSC[C@@H](C)CO)C 62a_100000761012_100000059175 [1,0,0,0,0,1|1,0,1]=4 488 B10R0.55 CC(=CCSC[C@@H](O)CF)C 62a_100000761012_100015614560 [1,0,0,0,0,1|1,0,1]=4 489 B10R0.55 CC(=CCSC[C@@H](O)CF)C 62a_100015614560_100000761012 [1,0,0,0,0,1|1,0,1]=4 490 B10R0.55 CC(=CCSC[C@@H](O)CO)C 62a_100000761012_100009815848 [1,0,0,0,0,1|1,0,1]=4 491 B10R0.55 CC(=CCSC[C@@H](O)CO)C 62a_100009815848_100000761012 [1,0,0,0,0,1|1,0,1]=4 492 B10R0.55 CCC(C)CNCC=C(C)C 2230a_100020588543_100000761012 [1,0,0,0,0,1|0,0,2]=4 493 B10R0.55 CCC(C)CNCC=C(C)C 270004a_100000718196_100000243153 [1,0,0,0,0,1|0,0,2]=4 494 B10R0.55 CCC(C)CNCC=C(C)C 34a_100000718196_100000748023 [1,0,0,0,0,1|0,0,2]=4 495 B10R0.55 CCC(C)COCC=C(C)C 34a_100000753907_100000748023 [1,0,0,0,0,1|0,0,2]=4 496 B10R0.55 CCC(C)CSCC=C(C)C 62a_100000748023_100000761012 [1,0,0,0,0,1|0,0,2]=4 497 B10R0.55 CCC(C)CSCC=C(C)C 62a_100000761012_100000748023 [1,0,0,0,0,1|0,0,2]=4 498 B10R0.55 CCC(C)NCCC=C(C)C 2230a_100000209981_100011217483 [1,0,0,0,0,1|0,0,2]=4 499 B10R0.55 CCC(C)OCCC=C(C)C 7a_100000210228_100011217483 [1,0,0,0,0,1|0,0,2]=4 500 B10R0.55 CCC(C)SCCC=C(C)C 62a_100000758301_100011217483 [1,0,0,0,0,1|0,0,2]=4 501 B10R0.55 CCC(C)SCCC=C(C)C 62a_100011217483_100000758301 [1,0,0,0,0,1|0,0,2]=4 502 B10R0.55 CCC(O)CNCC=C(C)C 2230a_100011218483_100000761012 [1,0,0,0,0,1|0,0,2]=4 503 B10R0.55 CCC(O)CNCC=C(C)C 34a_100000718196_100011218378 [1,0,0,0,0,1|0,0,2]=4 504 B10R0.55 CCC(O)COCC=C(C)C 34a_100000753907_100011218378 [1,0,0,0,0,1|0,0,2]=4 505 B10R0.55 CCC(O)CSCC=C(C)C 62a_100000761012_100011218378 [1,0,0,0,0,1|0,0,2]=4 506 B10R0.55 CCC(O)CSCC=C(C)C 62a_100011218378_100000761012 [1,0,0,0,0,1|0,0,2]=4 507 B10R0.55 CC[C@H](C)CNCC=C(C)C 34a_100000718196_100009816398 [1,0,0,0,0,1|0,0,2]=4 508 B10R0.55 CC[C@H](C)COCC=C(C)C 34a_100000753907_100009816398 [1,0,0,0,0,1|0,0,2]=4 509 B10R0.55 CC[C@H](C)COCC=C(C)C 7a_100009816381_100000761012 [1,0,0,0,0,1|0,0,2]=4 510 B10R0.55 CC[C@H](C)CSCC=C(C)C 62a_100000761012_100009816398 [1,0,0,0,0,1|0,0,2]=4 511 B10R0.55 CC[C@H](C)CSCC=C(C)C 62a_100009816398_100000761012 [1,0,0,0,0,1|0,0,2]=4 512 B10R0.55 COC(C)COCC=C(C)C 34a_100000690652_100000761012 [1,0,0,0,0,1|1,0,1]=4 513 B10R0.55 COC(C)SCCC=C(C)C 62a_100009879195_100011217483 [1,0,0,0,0,1|1,0,1]=4 514 B10R0.55 COC(C)SCCC=C(C)C 62a_100011217483_100009879195 [1,0,0,0,0,1|1,0,1]=4 515 B10R0.55 CO[C@H](C)CNCC=C(C)C 2230a_100020591295_100000761012 [1,0,0,0,0,1|1,0,1]=4 516 B10R0.15 CC(=CCCNC(C)(C)C)C 2230a_100000715429_100011217483 [1,0,0,0,0,1|1,0,1]=4 517 B10R0.15 CC(=CCCOC(C)(C)C)C 34a_100015890283_100011217483 [1,0,0,0,0,1|1,0,1]=4 518 B10R0.15 CC(=CCCOC(C)(C)C)C 7a_100015890283_100011217483 [1,0,0,0,0,1|1,0,1]=4 519 B10R0.15 CC(=CCCSC(C)(C)C)C 62a_100000211941_100011217483 [1,0,0,0,0,1|1,0,1]=4 520 B10R0.15 CC(=CCCSC(C)(C)C)C 62a_100011217483_100000211941 [1,0,0,0,0,1|1,0,1]=4 521 B10R0.15 CC(=CCNCC(C)(C)C)C 2230a_100000743828_100000761012 [1,0,0,0,0,1|1,0,1]=4 522 B10R0.15 CC(=CCNCC(C)(C)C)C 270004a_100000718196_100011204126 [1,0,0,0,0,1|1,0,1]=4 523 B10R0.15 CC(=CCNCC(C)(C)C)C 34a_100000718196_100011219605 [1,0,0,0,0,1|1,0,1]=4 524 B10R0.15 CC(=CCNCC(C)(C)F)C 2230a_100020643315_100000761012 [1,0,0,0,0,1|1,0,1]=4 525 B10R0.15 CC(=CCNCC(C)(C)F)C 34a_100000718196_100011997219 [1,0,0,0,0,1|1,0,1]=4 526 B10R0.15 CC(=CCNCC(C)(C)O)C 2230a_100000751335_100000761012 [1,0,0,0,0,1|0,0,1]=3 527 B10R0.15 CC(=CCNCC(C)(C)O)C 34a_100000718196_100000764493 [1,0,0,0,0,1|0,0,1]=3 528 B10R0.15 CC(=CCOCC(C)(C)C)C 34a_100000753907_100011219605 [1,0,0,0,0,1|1,0,1]=4 529 B10R0.15 CC(=CCOCC(C)(C)F)C 34a_100000716592_100000761012 [1,0,0,0,0,1|1,0,1]=4 530 B10R0.15 CC(=CCOCC(C)(C)F)C 34a_100000753907_100011997219 [1,0,0,0,0,1|1,0,1]=4 531 B10R0.15 CC(=CCOCC(C)(C)O)C 34a_100000753907_100000764493 [1,0,0,0,0,1|0,0,1]=3 532 B10R0.15 CC(=CCOCC(C)(F)F)C 34a_100000068830_100000761012 [1,0,0,0,0,1|2,0,0]=4 533 B10R0.15 CC(=CCSCC(C)(C)C)C 62a_100000761012_100011219605 [1,0,0,0,0,1|1,0,1]=4 534 B10R0.15 CC(=CCSCC(C)(C)C)C 62a_100011219605_100000761012 [1,0,0,0,0,1|1,0,1]=4 535 B10R0.15 CC(=CCSCC(C)(C)F)C 62a_100000761012_100011997219 [1,0,0,0,0,1|1,0,1]=4 536 B10R0.15 CC(=CCSCC(C)(C)F)C 62a_100011997219_100000761012 [1,0,0,0,0,1|1,0,1]=4 537 B10R0.15 CC(=CCSCC(C)(C)O)C 62a_100000761012_100000764493 [1,0,0,0,0,1|0,0,1]=3 538 B10R0.15 CC(=CCSCC(C)(C)O)C 62a_100000764493_100000761012 [1,0,0,0,0,1|0,0,1]=3 539 B12R0.210 C=C[Si](C)(C)CSCCC=C(C)C 62a_100000038793_100011217483 [0,0,0,0,0,2|1,1,0]=4 540 B12R0.210 C=C[Si](C)(C)CSCCC=C(C)C 62a_100011217483_100000038793 [0,0,0,0,0,2|1,1,0]=4