0 B12R1.31 CCOC(=O)CN1CC[C@H](C1)C 2230a_100016987628_100000188475 [1,0,0,0,0,0|3,0,0]=4 1 B12R1.31 CCOC(=O)CN1CC[C@H](C1)C 269982a_100016987628_100000188475 [1,0,0,0,0,0|3,0,0]=4 2 B12R1.31 CCOC(=O)CN1CC[C@H](C1)C 34a_100016987628_100000188475 [1,0,0,0,0,0|3,0,0]=4 3 B12R1.31 CCOC(=O)C[C@H]1CCN(C1)C 2230a_106256037354_200000210301 [1,0,0,0,0,0|3,0,0]=4 4 B12R1.31 CCOC(=O)C[C@H]1CCN(C1)C 269982a_106256037354_200000210301 [1,0,0,0,0,0|3,0,0]=4 5 B12R1.31 CCOC(=O)C[C@H]1CCN(C1)[13CH3] 2230a_106256037354_200025704644 [1,0,0,0,0,0|3,0,0]=4 6 B12R1.31 CCOC(=O)C[C@H]1CCN(C1)[13CH3] 269982a_106256037354_200025704644 [1,0,0,0,0,0|3,0,0]=4 7 B12R1.1618 C#CCC(=O)CC1(OCCO1)C 1458a_100000137474_100000184674 [1,0,0,0,0,0|1,0,2]=4 8 B12R1.1618 C=CCC(=O)CC1(OCCO1)C 1458a_100000137474_100000210623 [1,0,0,0,0,0|1,0,2]=4 9 B12R1.1618 CC1(OCCO1)CC(=O)CC#N 1458a_100000137474_100011214920 [1,0,0,0,0,0|2,0,1]=4 10 B12R1.1618 CC1(OCCO1)CC(=O)CCF 1458a_100000137474_100011217306 [1,0,0,0,0,0|2,0,0]=3 11 B12R1.1618 CC1(OCCO1)CC(=O)CCO 1458a_100000137474_100000211926 [1,0,0,0,0,0|2,0,0]=3 12 B12R1.1618 CCCC(=O)CC1(OCCO1)C 1458a_100000137474_100000210303 [1,0,0,0,0,0|1,0,0]=2 13 B12R1.1618 CCCN(C)CC1(OCCO1)C 269982a_100000747261_100009818610 [1,0,0,0,0,0|3,0,0]=4 14 B12R1.1618 CCNC(=O)CC1(OCCO1)C 11a_100015525214_100000137474 [1,0,0,0,0,0|1,0,0]=2 15 B12R1.1618 CCNC(=O)CC1(OCCO1)C 527a_100015525214_100000137474 [1,0,0,0,0,0|1,0,0]=2 16 B12R1.1618 CNNC(=O)CC1(OCCO1)C 22a_100016993582_100000137474 [1,0,0,0,0,0|2,0,0]=3 17 B12R0.68 C#CC(C)NC(C)CC(=O)OCC 2230a_100000707721_100009817359 [0,0,1,0,0,0|2,0,1]=4 18 B12R0.68 C#CC(C)SC(C)CC(=O)OCC 62a_200000035995_100009817359 [0,0,1,0,0,0|1,1,1]=4 19 B12R0.68 C#C[C@@H](C)OC(C)CC(=O)OCC 7a_100009815206_100009817359 [0,0,1,0,0,0|1,0,1]=3 20 B12R0.68 C=CC(C)SC(C)CC(=O)OCC 62a_100011215867_100009817359 [0,0,1,0,0,0|1,1,1]=4 21 B12R0.68 CCNC(=O)CN(C)C[C@@H](C)CO 2230a_100000741943_100000059175 [0,0,1,0,0,0|3,0,0]=4 22 B12R0.68 CCNC(=O)CN(C)C[C@@H](C)CO 269982a_100000741943_100000059175 [0,0,1,0,0,0|3,0,0]=4 23 B12R0.68 CCOC(=O)CC(=O)C[C@@H](C)CO 1458a_100000243816_100000059175 [0,0,1,0,0,0|2,0,1]=4 24 B12R0.68 CCOC(=O)CC(=O)N[C@H](C)CO 240690a_100000737577_100000243816 [0,0,1,0,0,0|2,0,1]=4 25 B12R0.68 CCOC(=O)CC(C)NC(=O)CO 188690a_100000686176_100000210174 [0,0,1,0,0,0|2,0,1]=4 26 B12R0.68 CCOC(=O)CC(C)NC(C)C#N 2230a_100000737613_100009817359 [0,0,1,0,0,0|2,0,1]=4 27 B12R0.68 CCOC(=O)CC(C)NC(C)CC 2230a_100000209981_100009817359 [0,0,1,0,0,0|2,0,0]=3 28 B12R0.68 CCOC(=O)CC(C)N[C@H](C)CO 2230a_100000737577_100009817359 [0,0,1,0,0,0|1,0,0]=2 29 B12R0.68 CCOC(=O)CC(C)OC(C)CC 7a_100000210228_100009817359 [0,0,1,0,0,0|1,0,0]=2 30 B12R0.68 CCOC(=O)CC(C)OC(C)CF 7a_100016041109_100009817359 [0,0,1,0,0,0|1,0,0]=2 31 B12R0.68 CCOC(=O)CC(C)SC(C)C#N 62a_100000703298_100009817359 [0,0,1,0,0,0|1,1,1]=4 32 B12R0.68 CCOC(=O)CC(C)SC(C)C#N 62a_100009817359_100000703298 [0,0,1,0,0,0|1,1,1]=4 33 B12R0.68 CCOC(=O)CC(C)SC(C)CC 62a_100000758301_100009817359 [0,0,1,0,0,0|1,1,0]=3 34 B12R0.68 CCOC(=O)CC(C)SC(C)CC 62a_100009817359_100000758301 [0,0,1,0,0,0|1,1,0]=3 35 B12R0.68 CCOC(=O)CC(C)SC(C)CO 62a_100012180447_100009817359 [0,0,1,0,0,0|0,1,0]=2 36 B12R0.68 CCOC(=O)CC(C)SC(C)OC 62a_100009817359_100009879195 [0,0,1,0,0,0|2,1,0]=4 37 B12R0.68 CCOC(=O)CC(C)SC(C)OC 62a_100009879195_100009817359 [0,0,1,0,0,0|2,1,0]=4 38 B12R0.68 CCOC(=O)CC(C)S[C@H](C)CO 62a_100009817359_100016084084 [0,0,1,0,0,0|0,1,0]=2 39 B12R0.68 CCOC(=O)CC(C)S[C@H](C)CO 62a_100016084084_100009817359 [0,0,1,0,0,0|0,1,0]=2 40 B12R0.68 CCOC(=O)CN(C)CC(C)CC 2230a_100000220588_100000748023 [0,0,1,0,0,0|3,0,0]=4 41 B12R0.68 CCOC(=O)CN(C)CC(C)CC 2230a_100000753921_100000188475 [0,0,1,0,0,0|3,0,0]=4 42 B12R0.68 CCOC(=O)CN(C)CC(C)CC 269982a_100000753921_100000188475 [0,0,1,0,0,0|3,0,0]=4 43 B12R0.68 CCOC(=O)CN(C)CC(C)CC 270004a_100000220588_100000243153 [0,0,1,0,0,0|3,0,0]=4 44 B12R0.68 CCOC(=O)CN(C)CC(O)CO 2230a_100000220588_100011219619 [0,0,1,0,0,0|3,0,0]=4 45 B12R0.68 CCOC(=O)CN(C)CC(O)CO 2230a_100011216503_100000188475 [0,0,1,0,0,0|3,0,0]=4 46 B12R0.68 CCOC(=O)CN(C)CC(O)CO 269982a_100011216503_100000188475 [0,0,1,0,0,0|3,0,0]=4 47 B12R0.68 CCOC(=O)CN(C)C[C@@H](C)CC 2230a_100000220588_100009816398 [0,0,1,0,0,0|3,0,0]=4 48 B12R0.68 CCOC(=O)CN(C)C[C@@H](C)CO 2230a_100000220588_100000059175 [0,0,1,0,0,0|2,0,0]=3 49 B12R0.68 CCOC(=O)CN(C)C[C@@H](O)CO 2230a_100000220588_100009815848 [0,0,1,0,0,0|3,0,0]=4 50 B12R0.68 CCOC(=O)C[C@@H](C)OC(C)C#N 7a_100009816390_100000703298 [0,0,1,0,0,0|1,0,1]=3 51 B12R0.68 CCOC(=O)C[C@@H](C)OC(C)CC 7a_100009816390_100000758301 [0,0,1,0,0,0|1,0,0]=2 52 B12R0.68 CCOC(=O)C[C@@H](C)OC(C)CO 7a_100009816390_100012180447 [0,0,1,0,0,0|0,0,0]=1 53 B12R0.68 CCOC(=O)OC(C)SC(C)CC 62a_100000036008_100000758301 [0,0,1,0,0,0|2,1,0]=4 54 B12R0.68 CCOC(=O)OC(C)SC(C)CC 62a_100000758301_100000036008 [0,0,1,0,0,0|2,1,0]=4 55 B12R0.68 CCOC(=O)OC(C)SC(C)CO 62a_100012180447_100000036008 [0,0,1,0,0,0|1,1,0]=3 56 B12R0.68 CCOC(=O)OC(C)S[C@H](C)CO 62a_100000036008_100016084084 [0,0,1,0,0,0|1,1,0]=3 57 B12R0.68 CCOC(=O)OC(C)S[C@H](C)CO 62a_100016084084_100000036008 [0,0,1,0,0,0|1,1,0]=3 58 B12R0.283 C=C(C)CO[C@H](C)CC(=O)OCC 7a_100009816390_100000748629 [0,0,1,0,0,0|1,0,1]=3 59 B12R0.283 C=C(C)CSC(C)CC(=O)OCC 62a_100000748629_100009817359 [0,0,1,0,0,0|1,1,1]=4 60 B12R0.283 C=C(C)CSC(C)CC(=O)OCC 62a_100009817359_100000211660 [0,0,1,0,0,0|1,1,1]=4 61 B12R0.283 C=C(F)CO[C@H](C)CC(=O)OCC 7a_100009816390_100000042424 [0,0,1,0,0,0|1,0,2]=4 62 B12R0.283 CCNC(=O)CN(C)CCC(C)O 2230a_100000741943_100012276601 [0,0,1,0,0,0|3,0,0]=4 63 B12R0.283 CCNC(=O)CN(C)CCC(C)O 269982a_100000741943_100012276601 [0,0,1,0,0,0|3,0,0]=4 64 B12R0.283 CCOC(=O)CC(=O)CCC(C)O 1458a_100000243816_100012276601 [0,0,1,0,0,0|2,0,1]=4 65 B12R0.283 CCOC(=O)CC(=O)NCC(C)O 240690a_100000210904_100000243816 [0,0,1,0,0,0|2,0,1]=4 66 B12R0.283 CCOC(=O)CC(C)NCC(=O)O 269956a_100016091260_100009817359 [0,0,1,0,0,0|2,0,1]=4 67 B12R0.283 CCOC(=O)CC(C)NCC(C)C 2230a_100000210953_100009817359 [0,0,1,0,0,0|2,0,0]=3 68 B12R0.283 CCOC(=O)CC(C)NCC(C)O 2230a_100000210904_100009817359 [0,0,1,0,0,0|1,0,0]=2 69 B12R0.283 CCOC(=O)CC(C)SCC(C)C 62a_100000210624_100009817359 [0,0,1,0,0,0|1,1,0]=3 70 B12R0.283 CCOC(=O)CC(C)SCC(C)C 62a_100009817359_100000210760 [0,0,1,0,0,0|1,1,0]=3 71 B12R0.283 CCOC(=O)CC(C)SCC(C)O 62a_100009817359_100011218427 [0,0,1,0,0,0|0,1,0]=2 72 B12R0.283 CCOC(=O)CC(C)SCC(C)O 62a_100011218427_100009817359 [0,0,1,0,0,0|0,1,0]=2 73 B12R0.283 CCOC(=O)CC(C)SCC(F)F 62a_100009817359_100011934356 [0,0,1,0,0,0|2,1,0]=4 74 B12R0.283 CCOC(=O)CC(C)SCC(F)F 62a_100011934356_100009817359 [0,0,1,0,0,0|2,1,0]=4 75 B12R0.283 CCOC(=O)CC(C)SC[C@@H](C)O 62a_100009817359_100009817552 [0,0,1,0,0,0|0,1,0]=2 76 B12R0.283 CCOC(=O)CC(C)SC[C@@H](C)O 62a_100009817552_100009817359 [0,0,1,0,0,0|0,1,0]=2 77 B12R0.283 CCOC(=O)CN(C)CCC(C)C 2230a_100000220588_100000210312 [0,0,1,0,0,0|3,0,0]=4 78 B12R0.283 CCOC(=O)CN(C)CCC(C)C 2230a_100000742789_100000188475 [0,0,1,0,0,0|3,0,0]=4 79 B12R0.283 CCOC(=O)CN(C)CCC(C)C 269982a_100000742789_100000188475 [0,0,1,0,0,0|3,0,0]=4 80 B12R0.283 CCOC(=O)CN(C)CCC(C)O 2230a_100000220588_100012276601 [0,0,1,0,0,0|2,0,0]=3 81 B12R0.283 CCOC(=O)C[C@@H](C)OCC(=O)N 7a_100009816390_100000187820 [0,0,1,0,0,0|1,0,2]=4 82 B12R0.283 CCOC(=O)C[C@@H](C)OCC(C)C 7a_100009816390_100000210760 [0,0,1,0,0,0|1,0,0]=2 83 B12R0.283 CCOC(=O)C[C@@H](C)OCC(C)O 7a_100009816390_100011218427 [0,0,1,0,0,0|0,0,0]=1 84 B12R0.283 CCOC(=O)C[C@@H](C)OCC(F)F 7a_100009816390_100011934356 [0,0,1,0,0,0|2,0,0]=3 85 B12R0.283 CCOC(=O)C[C@@H](C)OC[C@@H](C)O 7a_100009816390_100009817552 [0,0,1,0,0,0|0,0,0]=1 86 B12R0.283 CCOC(=O)OC(C)SCC(C)C 62a_100000036008_100000210760 [0,0,1,0,0,0|2,1,0]=4 87 B12R0.283 CCOC(=O)OC(C)SCC(C)C 62a_100000210624_100000036008 [0,0,1,0,0,0|2,1,0]=4 88 B12R0.283 CCOC(=O)OC(C)SCC(C)O 62a_100000036008_100011218427 [0,0,1,0,0,0|1,1,0]=3 89 B12R0.283 CCOC(=O)OC(C)SCC(C)O 62a_100011218427_100000036008 [0,0,1,0,0,0|1,1,0]=3 90 B12R0.283 CCOC(=O)OC(C)SC[C@@H](C)O 62a_100000036008_100009817552 [0,0,1,0,0,0|1,1,0]=3 91 B12R0.283 CCOC(=O)OC(C)SC[C@@H](C)O 62a_100009817552_100000036008 [0,0,1,0,0,0|1,1,0]=3 92 B12R0.661 C#CCOC(C)(C)CC(=O)OCC 7a_100000765344_100000038162 [0,0,1,0,0,0|1,0,2]=4 93 B12R0.661 C=CCOC(C)(C)CC(=O)OCC 7a_100000765344_100015514636 [0,0,1,0,0,0|1,0,2]=4 94 B12R0.661 CCCOC(C)(C)CC(=O)OCC 7a_100000765344_100000210303 [0,0,1,0,0,0|1,0,0]=2 95 B12R0.661 CCOC(=O)CC(C)(C)OCC#N 7a_100000765344_100011215382 [0,0,1,0,0,0|2,0,1]=4 96 B12R0.661 CCOC(=O)CC(C)(C)OCC=O 7a_100000765344_200015260668 [0,0,1,0,0,0|2,0,1]=4 97 B12R0.661 CCOC(=O)CC(C)(C)OCCF 7a_100000765344_100011217306 [0,0,1,0,0,0|2,0,0]=3 98 B12R0.661 CCOC(=O)CC(C)(C)OCCO 7a_100000765344_100000211926 [0,0,1,0,0,0|2,0,0]=3 99 B12R0.744 CCOC(=O)CC(C)(C)OC(C)C 7a_100000765344_100000210206 [0,0,1,0,0,0|1,0,0]=2 100 B11R0.1 CCOC(=O)CC(C)NC(C)C 2230a_100138425928_100009817359 [1,0,1,0,0,0|1,0,0]=3 101 B11R0.1 CCOC(=O)CC(C)SC(C)C 62a_100000210206_100009817359 [1,0,1,0,0,0|0,1,0]=3 102 B11R0.1 CCOC(=O)CC(C)SC(C)C 62a_100009817359_100000210206 [1,0,1,0,0,0|0,1,0]=3 103 B11R0.1 CCOC(=O)CN(C)CC(C)C 2230a_100000220588_100000210760 [1,0,1,0,0,0|2,0,0]=4 104 B11R0.1 CCOC(=O)CN(C)CC(C)C 2230a_100000747067_100000188475 [1,0,1,0,0,0|2,0,0]=4 105 B11R0.1 CCOC(=O)CN(C)CC(C)C 269982a_100000747067_100000188475 [1,0,1,0,0,0|2,0,0]=4 106 B11R0.1 CCOC(=O)CN(C)CC(C)C 270004a_100000220588_100000210432 [1,0,1,0,0,0|2,0,0]=4 107 B11R0.1 CCOC(=O)CN(C)CC(C)O 2230a_100000220588_100011218427 [1,0,1,0,0,0|2,0,0]=4 108 B11R0.1 CCOC(=O)CN(C)CC(C)O 2230a_100000227577_100000188475 [1,0,1,0,0,0|2,0,0]=4 109 B11R0.1 CCOC(=O)CN(C)CC(C)O 269982a_100000227577_100000188475 [1,0,1,0,0,0|2,0,0]=4 110 B11R0.1 CCOC(=O)CN(C)C[C@@H](C)O 2230a_100000220588_100009817552 [1,0,1,0,0,0|2,0,0]=4 111 B11R0.1 CCOC(=O)C[C@@H](C)OC(C)C 7a_100009816390_100000210206 [1,0,1,0,0,0|0,0,0]=2 112 B11R0.1 CCOC(=O)C[C@H](O)CN(C)C 269982a_100102631434_100000688340 [1,0,1,0,0,0|2,0,0]=4 113 B11R0.1 CCOC(=O)OC(C)SC(C)C 62a_100000036008_100000210206 [1,0,1,0,0,0|1,1,0]=4 114 B11R0.1 CCOC(=O)OC(C)SC(C)C 62a_100000210206_100000036008 [1,0,1,0,0,0|1,1,0]=4 115 B11R0.5 C#CCO[C@H](C)CC(=O)OCC 7a_100009816390_100000038162 [1,0,1,0,0,0|0,0,2]=4 116 B11R0.5 C=CCO[C@H](C)CC(=O)OCC 7a_100009816390_100015514636 [1,0,1,0,0,0|0,0,2]=4 117 B11R0.5 CCCCN(C)CC(=O)OCC 2230a_100000207549_100000188475 [1,0,1,0,0,0|2,0,0]=4 118 B11R0.5 CCCCN(C)CC(=O)OCC 2230a_100000220588_100000210211 [1,0,1,0,0,0|2,0,0]=4 119 B11R0.5 CCCCN(C)CC(=O)OCC 269982a_100000207549_100000188475 [1,0,1,0,0,0|2,0,0]=4 120 B11R0.5 CCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210303 [1,0,1,0,0,0|0,0,0]=2 121 B11R0.5 CCCSC(C)CC(=O)OCC 62a_100000210303_100009817359 [1,0,1,0,0,0|0,1,0]=3 122 B11R0.5 CCCSC(C)CC(=O)OCC 62a_100009817359_100000210303 [1,0,1,0,0,0|0,1,0]=3 123 B11R0.5 CCCSC(C)OC(=O)OCC 62a_100000036008_100000210303 [1,0,1,0,0,0|1,1,0]=4 124 B11R0.5 CCCSC(C)OC(=O)OCC 62a_100000210303_100000036008 [1,0,1,0,0,0|1,1,0]=4 125 B11R0.5 CCOC(=O)CC(C)NCCO 2230a_100016997473_100009817359 [1,0,1,0,0,0|1,0,0]=3 126 B11R0.5 CCOC(=O)CC(C)SCCF 62a_100009817359_100011217306 [1,0,1,0,0,0|1,1,0]=4 127 B11R0.5 CCOC(=O)CC(C)SCCF 62a_100011217306_100009817359 [1,0,1,0,0,0|1,1,0]=4 128 B11R0.5 CCOC(=O)CC(C)SCCO 62a_100000211926_100009817359 [1,0,1,0,0,0|0,1,0]=3 129 B11R0.5 CCOC(=O)CC(C)SCCO 62a_100009817359_100000211926 [1,0,1,0,0,0|0,1,0]=3 130 B11R0.5 CCOC(=O)CC(C)SCOC 62a_100000766300_100009817359 [1,0,1,0,0,0|1,1,0]=4 131 B11R0.5 CCOC(=O)CC(C)SCOC 62a_100009817359_100000766300 [1,0,1,0,0,0|1,1,0]=4 132 B11R0.5 CCOC(=O)CC(C)SCSC 62a_100009817359_100011218213 [1,0,1,0,0,0|1,1,0]=4 133 B11R0.5 CCOC(=O)CC(C)SCSC 62a_100011218213_100009817359 [1,0,1,0,0,0|1,1,0]=4 134 B11R0.5 CCOC(=O)CN(C)CCCO 2230a_100000213112_100000188475 [1,0,1,0,0,0|2,0,0]=4 135 B11R0.5 CCOC(=O)CN(C)CCCO 2230a_100000220588_100000230001 [1,0,1,0,0,0|2,0,0]=4 136 B11R0.5 CCOC(=O)CN(C)CCCO 269982a_100000213112_100000188475 [1,0,1,0,0,0|2,0,0]=4 137 B11R0.5 CCOC(=O)C[C@@H](C)OCC#N 7a_100009816390_100011215382 [1,0,1,0,0,0|1,0,1]=4 138 B11R0.5 CCOC(=O)C[C@@H](C)OCC=O 7a_100009816390_200015260668 [1,0,1,0,0,0|0,0,2]=4 139 B11R0.5 CCOC(=O)C[C@@H](C)OCCF 7a_100009816390_100011217306 [1,0,1,0,0,0|1,0,0]=3 140 B11R0.5 CCOC(=O)C[C@@H](C)OCCO 7a_100009816390_100000211926 [1,0,1,0,0,0|0,0,0]=2 141 B11R0.5 CCOC(=O)C[C@H](O)CSCC 62a_100000210202_100000688340 [1,0,1,0,0,0|2,0,0]=4 142 B11R0.5 CCOC(=O)C[C@H](O)CSCC 62a_100000688340_100000210202 [1,0,1,0,0,0|2,0,0]=4 143 B11R0.5 CCOC(=O)OC(C)SCCO 62a_100000036008_100000211926 [1,0,1,0,0,0|1,1,0]=4 144 B11R0.5 CCOC(=O)OC(C)SCCO 62a_100000211926_100000036008 [1,0,1,0,0,0|1,1,0]=4 145 B11R0.5 CCOC[C@@H](O)CC(=O)OCC 34a_100121572206_100000688340 [1,0,1,0,0,0|2,0,0]=4 146 B11R0.110 C#C[C@@H](C)OC(C)CC(=O)OC 34a_100009815206_100009817358 [1,0,1,0,0,0|1,0,1]=4 147 B11R0.110 C#C[C@@H](C)OC(C)CC(=O)OC 7a_100009815206_100009817358 [1,0,1,0,0,0|1,0,1]=4 148 B11R0.110 C=CC(C)OC(C)CC(=O)OC 34a_100000695699_100009817358 [1,0,1,0,0,0|1,0,1]=4 149 B11R0.110 CCC(C)NC(C)CC(=O)OC 2230a_100000209981_100009817358 [1,0,1,0,0,0|2,0,0]=4 150 B11R0.110 CCC(C)OC(C)CC(=O)OC 7a_100000210228_100009817358 [1,0,1,0,0,0|1,0,0]=3 151 B11R0.110 CCC(C)SC(C)CC(=O)OC 62a_100000758301_100009817358 [1,0,1,0,0,0|1,1,0]=4 152 B11R0.110 CCC(C)SC(C)CC(=O)OC 62a_100009817358_100000758301 [1,0,1,0,0,0|1,1,0]=4 153 B11R0.110 COC(=O)CC(C)N[C@H](C)CO 2230a_100000737577_100009817358 [1,0,1,0,0,0|1,0,0]=3 154 B11R0.110 COC(=O)CC(C)OC(C)C#N 34a_100011218135_100009817358 [1,0,1,0,0,0|1,0,1]=4 155 B11R0.110 COC(=O)CC(C)OC(C)CF 34a_100016041109_100009817358 [1,0,1,0,0,0|1,0,0]=3 156 B11R0.110 COC(=O)CC(C)OC(C)CF 7a_100016041109_100009817358 [1,0,1,0,0,0|1,0,0]=3 157 B11R0.110 COC(=O)CC(C)OC(C)CN 34a_100000210904_100009817358 [1,0,1,0,0,0|1,0,0]=3 158 B11R0.110 COC(=O)CC(C)SC(C)CO 62a_100012180447_100009817358 [1,0,1,0,0,0|0,1,0]=3 159 B11R0.110 COC(=O)CC(C)S[C@H](C)CO 62a_100009817358_100016084084 [1,0,1,0,0,0|0,1,0]=3 160 B11R0.110 COC(=O)CC(C)S[C@H](C)CO 62a_100016084084_100009817358 [1,0,1,0,0,0|0,1,0]=3 161 B11R0.110 COC(=O)CN(C)C[C@@H](C)CO 2230a_100000198492_100000059175 [1,0,1,0,0,0|2,0,0]=4 162 B11R0.154 CCC#CCC(C)OC(C)CO 34a_200000035118_100012180447 [1,0,1,0,0,0|1,0,1]=4 163 B11R0.154 CCC#CCC(C)OC(C)CO 7a_200000035118_100012180447 [1,0,1,0,0,0|1,0,1]=4 164 B11R0.154 CCCCCC(C)OC(C)CO 34a_100011215632_100012180447 [1,0,1,0,0,0|1,0,1]=4 165 B11R0.154 CCCCCC(C)OC(C)CO 7a_100011215632_100012180447 [1,0,1,0,0,0|1,0,1]=4 166 B11R0.154 CCOCCC(C)N[C@H](C)CO 270004a_100000737577_200011216536 [1,0,1,0,0,0|1,0,1]=4 167 B11R0.174 C#C[C@@H](C)OCCC(=O)OCC 34a_100009815206_100000765890 [1,0,1,0,0,0|1,0,1]=4 168 B11R0.174 C#C[C@@H](C)OCCC(=O)OCC 7a_100009815206_100011206558 [1,0,1,0,0,0|1,0,1]=4 169 B11R0.174 C=CC(C)OCCC(=O)OCC 34a_100000695699_100000765890 [1,0,1,0,0,0|1,0,1]=4 170 B11R0.174 CCNC(=O)CCNC(C)CO 34a_100025743525_100012180447 [1,0,1,0,0,0|2,0,0]=4 171 B11R0.174 CCNC(=O)CCN[C@H](C)CO 2230a_100000737577_100000737597 [1,0,1,0,0,0|2,0,0]=4 172 B11R0.174 CCNC(=O)CCOC(C)CC 7a_100000210228_100000737597 [1,0,1,0,0,0|2,0,0]=4 173 B11R0.174 CCNC(=O)CCOC(C)CF 7a_100016041109_100000737597 [1,0,1,0,0,0|2,0,0]=4 174 B11R0.174 CCNC(=O)CCSC(C)CO 62a_100012180447_100000737597 [1,0,1,0,0,0|1,1,0]=4 175 B11R0.174 CCNC(=O)CCS[C@H](C)CO 62a_100000737597_100016084084 [1,0,1,0,0,0|1,1,0]=4 176 B11R0.174 CCNC(=O)CCS[C@H](C)CO 62a_100016084084_100000737597 [1,0,1,0,0,0|1,1,0]=4 177 B11R0.174 CCOC(=O)CCNC(C)CC 2230a_100000209981_100011206558 [1,0,1,0,0,0|2,0,0]=4 178 B11R0.174 CCOC(=O)CCN[C@H](C)CO 2230a_100000737577_100011206558 [1,0,1,0,0,0|1,0,0]=3 179 B11R0.174 CCOC(=O)CCOC(C)C#N 34a_100011218135_100000765890 [1,0,1,0,0,0|1,0,1]=4 180 B11R0.174 CCOC(=O)CCOC(C)CC 7a_100000210228_100011206558 [1,0,1,0,0,0|1,0,0]=3 181 B11R0.174 CCOC(=O)CCOC(C)CF 34a_100016041109_100000765890 [1,0,1,0,0,0|1,0,0]=3 182 B11R0.174 CCOC(=O)CCOC(C)CF 7a_100016041109_100011206558 [1,0,1,0,0,0|1,0,0]=3 183 B11R0.174 CCOC(=O)CCOC(C)CN 34a_100000210904_100000765890 [1,0,1,0,0,0|1,0,0]=3 184 B11R0.174 CCOC(=O)CCSC(C)CC 62a_100000758301_100000765890 [1,0,1,0,0,0|1,1,0]=4 185 B11R0.174 CCOC(=O)CCSC(C)CC 62a_100000765890_100000758301 [1,0,1,0,0,0|1,1,0]=4 186 B11R0.174 CCOC(=O)CCSC(C)CO 62a_100012180447_100000765890 [1,0,1,0,0,0|0,1,0]=3 187 B11R0.174 CCOC(=O)CCS[C@H](C)CO 62a_100000765890_100016084084 [1,0,1,0,0,0|0,1,0]=3 188 B11R0.174 CCOC(=O)CCS[C@H](C)CO 62a_100016084084_100000765890 [1,0,1,0,0,0|0,1,0]=3 189 B11R0.174 CCOC(=O)CNCC(C)CO 34a_100000744482_100000188475 [1,0,1,0,0,0|2,0,0]=4 190 B11R0.174 CCOC(=O)CSC[C@@H](C)CO 62a_100000059175_100000188475 [1,0,1,0,0,0|2,0,0]=4 191 B11R0.174 CCOC(=O)CSC[C@@H](C)CO 62a_100000188475_100000059175 [1,0,1,0,0,0|2,0,0]=4 192 B11R0.174 CCOC(=O)OCSC(C)CO 62a_100012180447_100000075025 [1,0,1,0,0,0|1,1,0]=4 193 B11R0.174 CCOC(=O)OCS[C@H](C)CO 62a_100016084084_100000075025 [1,0,1,0,0,0|1,1,0]=4 194 B11R0.46 CCC#CCC(C)OCC(C)O 34a_200000035118_100011218427 [1,0,1,0,0,0|1,0,1]=4 195 B11R0.46 CCC#CCC(C)OCC(C)O 7a_200000035118_100011218427 [1,0,1,0,0,0|1,0,1]=4 196 B11R0.46 CCC#CCC(C)OC[C@@H](C)O 34a_200000035118_100009817552 [1,0,1,0,0,0|1,0,1]=4 197 B11R0.46 CCC#CCC(C)OC[C@@H](C)O 7a_200000035118_100009817552 [1,0,1,0,0,0|1,0,1]=4 198 B11R0.46 CCCCCC(C)OCC(C)O 34a_100011215632_100011218427 [1,0,1,0,0,0|1,0,1]=4 199 B11R0.46 CCCCCC(C)OCC(C)O 7a_100011215632_100011218427 [1,0,1,0,0,0|1,0,1]=4 200 B11R0.46 CCCCCC(C)OC[C@@H](C)O 34a_100011215632_100009817552 [1,0,1,0,0,0|1,0,1]=4 201 B11R0.46 CCCCCC(C)OC[C@@H](C)O 7a_100011215632_100009817552 [1,0,1,0,0,0|1,0,1]=4 202 B11R0.46 CCOCCC(C)NCC(C)O 270004a_100000210904_200011216536 [1,0,1,0,0,0|1,0,1]=4 203 B11R0.93 C=C(C)COC(C)CC(=O)OC 34a_100000210245_100009817358 [1,0,1,0,0,0|1,0,1]=4 204 B11R0.93 COC(=O)CC(C)NCC(C)C 2230a_100000210953_100009817358 [1,0,1,0,0,0|2,0,0]=4 205 B11R0.93 COC(=O)CC(C)NCC(C)C 34a_100000210953_100009817358 [1,0,1,0,0,0|2,0,0]=4 206 B11R0.93 COC(=O)CC(C)NCC(C)O 2230a_100000210904_100009817358 [1,0,1,0,0,0|1,0,0]=3 207 B11R0.93 COC(=O)CC(C)NCC(C)O 34a_100000210904_100009817358 [1,0,1,0,0,0|1,0,0]=3 208 B11R0.93 COC(=O)CC(C)OCC(=O)C 34a_100000211253_100009817358 [1,0,1,0,0,0|0,0,2]=4 209 B11R0.93 COC(=O)CC(C)OCC(C)Br 34a_100012180447_100009817358 [1,0,1,0,0,0|1,0,0]=3 210 B11R0.93 COC(=O)CC(C)OCC(C)C 34a_100000210257_100009817358 [1,0,1,0,0,0|1,0,0]=3 211 B11R0.93 COC(=O)CC(C)OCC(C)F 34a_100015925927_100009817358 [1,0,1,0,0,0|1,0,0]=3 212 B11R0.93 COC(=O)CC(C)OCC(F)F 34a_100000743014_100009817358 [1,0,1,0,0,0|2,0,0]=4 213 B11R0.93 COC(=O)CC(C)OC[C@@H](C)Cl 34a_100016084084_100009817358 [1,0,1,0,0,0|1,0,0]=3 214 B11R0.93 COC(=O)CC(C)OC[C@@H](C)N 34a_100000737577_100009817358 [1,0,1,0,0,0|1,0,0]=3 215 B11R0.93 COC(=O)CC(C)SCC(C)C 62a_100000210624_100009817358 [1,0,1,0,0,0|1,1,0]=4 216 B11R0.93 COC(=O)CC(C)SCC(C)C 62a_100009817358_100000210760 [1,0,1,0,0,0|1,1,0]=4 217 B11R0.93 COC(=O)CC(C)SCC(C)O 62a_100009817358_100011218427 [1,0,1,0,0,0|0,1,0]=3 218 B11R0.93 COC(=O)CC(C)SCC(C)O 62a_100011218427_100009817358 [1,0,1,0,0,0|0,1,0]=3 219 B11R0.93 COC(=O)CC(C)SC[C@@H](C)O 62a_100009817358_100009817552 [1,0,1,0,0,0|0,1,0]=3 220 B11R0.93 COC(=O)CC(C)SC[C@@H](C)O 62a_100009817552_100009817358 [1,0,1,0,0,0|0,1,0]=3 221 B11R0.93 COC(=O)CN(C)CCC(C)O 2230a_100000198492_100012276601 [1,0,1,0,0,0|2,0,0]=4 222 B11R0.176 C=C(C)COCCC(=O)OCC 34a_100000210245_100000765890 [1,0,1,0,0,0|1,0,1]=4 223 B11R0.176 CCNC(=O)CCNCC(C)O 2230a_100000210904_100000737597 [1,0,1,0,0,0|2,0,0]=4 224 B11R0.176 CCNC(=O)CCNCC(C)O 34a_100025743525_100011218427 [1,0,1,0,0,0|2,0,0]=4 225 B11R0.176 CCNC(=O)CCNC[C@@H](C)O 34a_100025743525_100009817552 [1,0,1,0,0,0|2,0,0]=4 226 B11R0.176 CCNC(=O)CCSCC(C)O 62a_100000737597_100011218427 [1,0,1,0,0,0|1,1,0]=4 227 B11R0.176 CCNC(=O)CCSCC(C)O 62a_100011218427_100000737597 [1,0,1,0,0,0|1,1,0]=4 228 B11R0.176 CCNC(=O)CCSC[C@@H](C)O 62a_100000737597_100009817552 [1,0,1,0,0,0|1,1,0]=4 229 B11R0.176 CCNC(=O)CCSC[C@@H](C)O 62a_100009817552_100000737597 [1,0,1,0,0,0|1,1,0]=4 230 B11R0.176 CCOC(=O)CCNCC(C)C 2230a_100000210953_100011206558 [1,0,1,0,0,0|2,0,0]=4 231 B11R0.176 CCOC(=O)CCNCC(C)C 34a_100000210953_100000765890 [1,0,1,0,0,0|2,0,0]=4 232 B11R0.176 CCOC(=O)CCNCC(C)O 2230a_100000210904_100011206558 [1,0,1,0,0,0|1,0,0]=3 233 B11R0.176 CCOC(=O)CCNCC(C)O 34a_100000210904_100000765890 [1,0,1,0,0,0|1,0,0]=3 234 B11R0.176 CCOC(=O)CCOCC(=O)C 34a_100000211253_100000765890 [1,0,1,0,0,0|0,0,2]=4 235 B11R0.176 CCOC(=O)CCOCC(C)Br 34a_100012180447_100000765890 [1,0,1,0,0,0|1,0,0]=3 236 B11R0.176 CCOC(=O)CCOCC(C)C 34a_100000210257_100000765890 [1,0,1,0,0,0|1,0,0]=3 237 B11R0.176 CCOC(=O)CCOCC(C)F 34a_100015925927_100000765890 [1,0,1,0,0,0|1,0,0]=3 238 B11R0.176 CCOC(=O)CCOCC(F)F 34a_100000743014_100000765890 [1,0,1,0,0,0|2,0,0]=4 239 B11R0.176 CCOC(=O)CCOC[C@@H](C)Cl 34a_100016084084_100000765890 [1,0,1,0,0,0|1,0,0]=3 240 B11R0.176 CCOC(=O)CCOC[C@@H](C)N 34a_100000737577_100000765890 [1,0,1,0,0,0|1,0,0]=3 241 B11R0.176 CCOC(=O)CCSCC(C)C 62a_100000210624_100000765890 [1,0,1,0,0,0|1,1,0]=4 242 B11R0.176 CCOC(=O)CCSCC(C)C 62a_100000765890_100000210760 [1,0,1,0,0,0|1,1,0]=4 243 B11R0.176 CCOC(=O)CCSCC(C)O 62a_100000765890_100011218427 [1,0,1,0,0,0|0,1,0]=3 244 B11R0.176 CCOC(=O)CCSCC(C)O 62a_100011218427_100000765890 [1,0,1,0,0,0|0,1,0]=3 245 B11R0.176 CCOC(=O)CCSC[C@@H](C)O 62a_100000765890_100009817552 [1,0,1,0,0,0|0,1,0]=3 246 B11R0.176 CCOC(=O)CCSC[C@@H](C)O 62a_100009817552_100000765890 [1,0,1,0,0,0|0,1,0]=3 247 B11R0.176 CCOC(=O)CNCCC(C)O 2230a_200000755665_100000188475 [1,0,1,0,0,0|2,0,0]=4 248 B11R0.176 CCOC(=O)CSCCC(C)O 62a_100000188475_100012276601 [1,0,1,0,0,0|2,0,0]=4 249 B11R0.176 CCOC(=O)CSCCC(C)O 62a_100012276601_100000188475 [1,0,1,0,0,0|2,0,0]=4 250 B11R0.176 CCOC(=O)OCSCC(C)O 62a_100011218427_100000075025 [1,0,1,0,0,0|1,1,0]=4 251 B11R0.176 CCOC(=O)OCSC[C@@H](C)O 62a_100009817552_100000075025 [1,0,1,0,0,0|1,1,0]=4 252 B11R0.246 CCCOC(C)(C)CC(=O)OC 7a_100015205050_100000210303 [1,0,1,0,0,0|1,0,0]=3 253 B11R0.246 COC(=O)CC(C)(C)OCCF 7a_100015205050_100011217306 [1,0,1,0,0,0|2,0,0]=4 254 B11R0.246 COC(=O)CC(C)(C)OCCO 7a_100015205050_100000211926 [1,0,1,0,0,0|2,0,0]=4 255 B11R0.353 CCCC(=O)CC(C)(O)CCC 1458a_100011667670_100000210303 [1,0,1,0,0,0|1,0,0]=3 256 B11R0.353 CCCC(=O)C[Si](C)(C)OCC 1458a_100000211992_200000065227 [1,0,1,0,0,0|1,1,0]=4 257 B11R0.353 CCCC(C)(O)CC(=O)CCF 1458a_100011667670_100011217306 [1,0,1,0,0,0|2,0,0]=4 258 B11R0.353 CCCC(C)(O)CC(=O)CCO 1458a_100011667670_100000211926 [1,0,1,0,0,0|2,0,0]=4 259 B11R0.353 CCCC(C)(O)CC(=O)NCC 240690a_100015525214_100011667670 [1,0,1,0,0,0|1,0,0]=3 260 B11R0.353 CCCC(C)(O)CC(=O)NCC 527a_100015525214_100011667670 [1,0,1,0,0,0|1,0,0]=3 261 B11R0.353 CCCC(C)(O)CC(=O)NNC 22a_100016993582_100011667670 [1,0,1,0,0,0|2,0,0]=4 262 B11R0.353 CCOC(=O)CC(C)(C)OCC 7a_100000765344_100000210202 [1,0,1,0,0,0|0,0,0]=2 263 B11R0.353 CCOC(=O)CC(C)(C)OCF 7a_100000765344_100015361967 [1,0,1,0,0,0|1,0,0]=3 264 B11R0.255 COC(=O)CC(C)(C)OC(C)C 7a_100015205050_100000210206 [1,0,1,0,0,0|1,0,0]=3 265 B11R0.182 CCCC(CC(=O)OCC)OC 7a_100011216533_200000210301 [1,0,1,0,0,0|1,0,0]=3 266 B11R0.182 CCCC(CC(=O)OCC)O[13CH3] 7a_100011216533_200025704644 [1,0,1,0,0,0|1,0,0]=3 267 B11R0.182 CCOC(=O)C[C@@H](CCl)OCC 7a_100000688340_100000210202 [1,0,1,0,0,0|2,0,0]=4 268 B11R1.30 CC#CC(=O)CC1OCCO1 1458a_100000763181_100000755774 [2,0,0,0,0,0|1,0,1]=4 269 B11R1.30 CC=CC(=O)CC1OCCO1 1458a_100000210699_100000755774 [2,0,0,0,0,0|1,0,1]=4 270 B11R1.30 CCCC(=O)CC1CCCO1 1458a_100000211992_100000203698 [2,0,0,0,0,0|2,0,0]=4 271 B11R1.30 CCCC(=O)CC1OCCO1 1458a_100000211992_100000755774 [2,0,0,0,0,0|1,0,0]=3 272 B11R1.30 COCC(=O)CC1OCCO1 1458a_100000210968_100000755774 [2,0,0,0,0,0|2,0,0]=4 273 B11R1.30 CSCC(=O)CC1OCCO1 1458a_100000184570_100000755774 [2,0,0,0,0,0|2,0,0]=4 274 B11R1.30 O=C(CCO)CC1OCCO1 1458a_100011216618_100000755774 [2,0,0,0,0,0|2,0,0]=4 275 B11R1.756 CC1(OCCO1)CCOCF 7a_100009861814_100015361967 [2,0,0,0,0,0|1,0,1]=4 276 B11R1.756 CCCNCC1(OCCO1)C 2230a_100000691740_100000210303 [2,0,0,0,0,0|2,0,0]=4 277 B11R1.756 CCCSCC1(OCCO1)C 62a_100000210303_100009818610 [2,0,0,0,0,0|2,0,0]=4 278 B11R1.756 CCCSCC1(OCCO1)C 62a_100009818610_100000210303 [2,0,0,0,0,0|2,0,0]=4 279 B11R1.756 CCNCCC1(OCCO1)C 2230a_100000073055_100000210202 [2,0,0,0,0,0|1,0,1]=4 280 B11R1.756 CCNCCC1(OCCO1)C 2230a_100015525214_100000758764 [2,0,0,0,0,0|1,0,1]=4 281 B11R1.756 CCOCCC1(OCCO1)C 34a_100121572206_100000758764 [2,0,0,0,0,0|0,0,1]=3 282 B11R1.756 CCOCCC1(OCCO1)C 7a_100009861814_100000210202 [2,0,0,0,0,0|0,0,1]=3 283 B11R1.756 CCSCCC1(OCCO1)C 62a_100000210202_100000758764 [2,0,0,0,0,0|0,1,1]=4 284 B11R1.756 CCSCCC1(OCCO1)C 62a_100000758764_100000210202 [2,0,0,0,0,0|0,1,1]=4 285 B11R1.895 CC1(OCCO1)CC(=O)CF 1458a_100000137474_100015361967 [2,0,0,0,0,0|1,0,0]=3 286 B11R1.895 CCC(=O)CC1(OCCO1)C 1458a_100000137474_100000210202 [2,0,0,0,0,0|0,0,0]=2 287 B11R1.895 CCN(C)CC1(OCCO1)C 269982a_100000225621_100009818610 [2,0,0,0,0,0|2,0,0]=4 288 B11R1.895 CNC(=O)CC1(OCCO1)C 11a_106832991635_100000137474 [2,0,0,0,0,0|1,0,0]=3 289 B11R1.895 CNC(=O)CC1(OCCO1)C 527a_100102657272_100000137474 [2,0,0,0,0,0|1,0,0]=3 290 B13R0.25 CCOC(=O)CC(C)NC(C)C(C)C 2230a_100000211541_100009817359 [0,1,1,0,0,0|2,0,0]=4 291 B13R0.25 CCOC(=O)CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100009817359 [0,1,1,0,0,0|1,0,1]=4 292 B13R0.25 CCOC(=O)CC(C)OC(C)C(C)C 7a_100000748068_100009817359 [0,1,1,0,0,0|1,0,0]=3 293 B13R0.25 CCOC(=O)CC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100009817359 [0,1,1,0,0,0|0,0,2]=4 294 B13R0.25 CCOC(=O)CC(C)O[C@H](C)C(=O)N 7a_100000731257_100009817359 [0,1,1,0,0,0|0,0,2]=4 295 B13R0.25 CCOC(=O)C[C@@H](C)OC(C)C(=O)C 7a_100009816390_100000179758 [0,1,1,0,0,0|0,0,2]=4 296 B13R0.25 CCOC(=O)C[C@@H](C)OC(C)C(=O)N 7a_100009816390_100000702099 [0,1,1,0,0,0|0,0,2]=4 297 B13R0.28 CCOC(=O)CN(CC)C[C@@H](C)CO 2230a_100000220607_100000059175 [0,1,1,0,0,0|2,0,0]=4 298 B13R0.28 CCOC(=O)CN(CC)C[C@@H](C)CO 269982a_100000220607_100000059175 [0,1,1,0,0,0|2,0,0]=4 299 B13R0.28 CCOC(=O)C[C@@H](CCl)OC(C)C#N 7a_100000688340_100000703298 [0,1,1,0,0,0|1,0,1]=4 300 B13R0.28 CCOC(=O)C[C@@H](CCl)OC(C)CC 7a_100000688340_100000758301 [0,1,1,0,0,0|1,0,0]=3 301 B13R0.28 CCOC(=O)C[C@@H](CCl)OC(C)CO 7a_100000688340_100012180447 [0,1,1,0,0,0|0,0,0]=2 302 B13R0.89 C#CCC(C)OC(C)CC(=O)OCC 7a_100000685586_100009817359 [0,1,1,0,0,0|1,0,0]=3 303 B13R0.89 C=CC[C@@H](C)OC(C)CC(=O)OCC 7a_100000731007_100009817359 [0,1,1,0,0,0|1,0,0]=3 304 B13R0.89 CCCC(C)NC(C)CC(=O)OCC 2230a_100000741246_100009817359 [0,1,1,0,0,0|2,0,0]=4 305 B13R0.89 CCCC(C)OC(C)CC(=O)OCC 7a_100000764384_100009817359 [0,1,1,0,0,0|1,0,0]=3 306 B13R0.89 CCCC(C)O[C@H](C)CC(=O)OCC 7a_100009816390_100000766640 [0,1,1,0,0,0|1,0,0]=3 307 B13R0.89 CCCC(C)SC(C)CC(=O)OCC 62a_100000766640_100009817359 [0,1,1,0,0,0|1,1,0]=4 308 B13R0.89 CCCC(C)SC(C)CC(=O)OCC 62a_100009817359_100000766640 [0,1,1,0,0,0|1,1,0]=4 309 B13R0.89 CCOC(=O)CC(C)N[C@@H](C)CC#N 2230a_100016994482_100009817359 [0,1,1,0,0,0|2,0,0]=4 310 B13R0.89 CCOC(=O)CC(C)N[C@H](C)CCO 2230a_100000706166_100009817359 [0,1,1,0,0,0|1,0,0]=3 311 B13R0.89 CCOC(=O)CC(C)N[C@H](C)COC 2230a_100000764878_100009817359 [0,1,1,0,0,0|1,0,0]=3 312 B13R0.89 CCOC(=O)CC(C)SC(C)CC#N 62a_100009813641_100009817359 [0,1,1,0,0,0|1,1,0]=4 313 B13R0.89 CCOC(=O)CC(C)SC(C)CC#N 62a_100009817359_100009813641 [0,1,1,0,0,0|1,1,0]=4 314 B13R0.89 CCOC(=O)CC(C)SC(C)CCO 62a_100009817359_100009893172 [0,1,1,0,0,0|0,1,0]=3 315 B13R0.89 CCOC(=O)CC(C)SC(C)CCO 62a_100009893172_100009817359 [0,1,1,0,0,0|0,1,0]=3 316 B13R0.89 CCOC(=O)CC(C)SC(C)COC 62a_100000765312_100009817359 [0,1,1,0,0,0|0,1,0]=3 317 B13R0.89 CCOC(=O)CC(C)SC(C)COC 62a_100009817359_100000765312 [0,1,1,0,0,0|0,1,0]=3 318 B13R0.89 CCOC(=O)C[C@@H](C)OC(C)CC#N 7a_100009816390_100009813641 [0,1,1,0,0,0|1,0,0]=3 319 B13R0.89 CCOC(=O)C[C@@H](C)OC(C)CCO 7a_100009816390_100009893172 [0,1,1,0,0,0|0,0,0]=2 320 B13R0.89 CCOC(=O)C[C@@H](C)OC(C)COC 7a_100009816390_100000765312 [0,1,1,0,0,0|0,0,0]=2 321 B13R0.89 CCOC(=O)OC(C)SC(C)CCO 62a_100000036008_100009893172 [0,1,1,0,0,0|1,1,0]=4 322 B13R0.89 CCOC(=O)OC(C)SC(C)CCO 62a_100009893172_100000036008 [0,1,1,0,0,0|1,1,0]=4 323 B13R0.89 CCOC(=O)OC(C)SC(C)COC 62a_100000036008_100000765312 [0,1,1,0,0,0|1,1,0]=4 324 B13R0.89 CCOC(=O)OC(C)SC(C)COC 62a_100000765312_100000036008 [0,1,1,0,0,0|1,1,0]=4 325 B13R0.92 CCOC(=O)C(=O)C(C)N[C@H](C)CO 2230a_100000737577_100010256902 [0,1,1,0,0,0|1,0,1]=4 326 B13R0.92 CCOC(=O)C(=O)C(C)SC(C)CO 62a_100012180447_100010256902 [0,1,1,0,0,0|0,1,1]=4 327 B13R0.92 CCOC(=O)C(=O)C(C)S[C@H](C)CO 62a_100010256902_100016084084 [0,1,1,0,0,0|0,1,1]=4 328 B13R0.92 CCOC(=O)C(=O)C(C)S[C@H](C)CO 62a_100016084084_100010256902 [0,1,1,0,0,0|0,1,1]=4 329 B13R0.334 CC(C)OC(=O)OC(C)OC(C)CF 7a_100016041109_100000067433 [0,1,1,0,0,0|2,0,0]=4 330 B13R0.334 CC(C)OC(=O)OC(C)SC(C)CO 62a_100012180447_100000067433 [0,1,1,0,0,0|1,1,0]=4 331 B13R0.334 CC(C)OC(=O)OC(C)S[C@H](C)CO 62a_100000067433_100016084084 [0,1,1,0,0,0|1,1,0]=4 332 B13R0.334 CC(C)OC(=O)OC(C)S[C@H](C)CO 62a_100016084084_100000067433 [0,1,1,0,0,0|1,1,0]=4 333 B13R0.334 CCC(C)OC(C)OC(=O)OC(C)C 7a_100000210228_100000067433 [0,1,1,0,0,0|2,0,0]=4 334 B13R0.414 C#CC(CC)OC(C)CC(=O)OCC 7a_100000758843_100009817359 [0,1,1,0,0,0|1,0,1]=4 335 B13R0.414 C=CC(CC)OC(C)CC(=O)OCC 7a_100000766422_100009817359 [0,1,1,0,0,0|1,0,1]=4 336 B13R0.414 C=C[C@@H](CO)NC(C)CC(=O)OCC 2230a_100016989147_100009817359 [0,1,1,0,0,0|1,0,1]=4 337 B13R0.414 CCOC(=O)CC(C)NC(CC)CC 2230a_100000199018_100009817359 [0,1,1,0,0,0|2,0,0]=4 338 B13R0.414 CCOC(=O)CC(C)NC(CO)CO 2230a_100000759517_100009817359 [0,1,1,0,0,0|1,0,0]=3 339 B13R0.414 CCOC(=O)CC(C)N[C@@H](CC)CO 2230a_100000709445_100009817359 [0,1,1,0,0,0|1,0,0]=3 340 B13R0.414 CCOC(=O)CC(C)OC(CC)CC 7a_100000688536_100009817359 [0,1,1,0,0,0|1,0,0]=3 341 B13R0.414 CCOC(=O)CC(C)OC(CCl)CCl 7a_100000737055_100009817359 [0,1,1,0,0,0|1,0,0]=3 342 B13R0.414 CCOC(=O)CC(C)OC(CF)CF 7a_100000032261_100009817359 [0,1,1,0,0,0|1,0,0]=3 343 B13R0.414 CCOC(=O)CC(C)O[C@@H](CF)CCl 7a_100015614560_100009817359 [0,1,1,0,0,0|1,0,0]=3 344 B13R0.414 CCOC(=O)CC(C)SC(CC)CC 62a_100000210505_100009817359 [0,1,1,0,0,0|1,1,0]=4 345 B13R0.414 CCOC(=O)CC(C)SC(CC)CC 62a_100009817359_100000210505 [0,1,1,0,0,0|1,1,0]=4 346 B13R0.414 CCOC(=O)C[C@@H](C)OC(CC)CC 7a_100009816390_100000210505 [0,1,1,0,0,0|1,0,0]=3 347 B13R0.736 CCOC(=O)CC(C)C(=O)C(C)CC 1458a_100011192722_100009817359 [0,1,1,0,0,0|2,0,0]=4 348 B13R0.736 CCOC(=O)CC(C)C(=O)C(O)CO 1458a_100011215603_100009817359 [0,1,1,0,0,0|2,0,0]=4 349 B13R0.736 CCOC(=O)CC(C)N(C)C(C)CC 2230a_100000741768_100009817359 [0,1,1,0,0,0|2,0,0]=4 350 B13R0.736 CCOC(=O)CC(C)N(C)C(C)CC 269982a_100000741768_100009817359 [0,1,1,0,0,0|2,0,0]=4 351 B13R0.736 CCOC(=O)CC(C)N(C)C(C)CO 2230a_100000693034_100009817359 [0,1,1,0,0,0|1,0,0]=3 352 B13R0.736 CCOC(=O)CC(C)N(C)C(C)CO 269982a_100000693034_100009817359 [0,1,1,0,0,0|1,0,0]=3 353 B13R0.736 CCOC(=O)OC(C)N(C)C(C)CO 269982a_100000693034_100000036008 [0,1,1,0,0,0|2,0,0]=4 354 B13R0.758 CCOC(=O)CC(C)(C)OC(C)C#N 7a_100000765344_100000703298 [0,1,1,0,0,0|1,0,1]=4 355 B13R0.758 CCOC(=O)CC(C)(C)OC(C)CC 7a_100000765344_100000758301 [0,1,1,0,0,0|1,0,0]=3 356 B13R0.758 CCOC(=O)CC(C)(C)OC(C)CO 7a_100000765344_100012180447 [0,1,1,0,0,0|0,0,0]=2 357 B13R0.1077 C#CC(C)(C)OC(C)CC(=O)OCC 7a_100000189450_100009817359 [0,1,1,0,0,0|1,0,1]=4 358 B13R0.1077 C=CC(C)(C)OC(C)CC(=O)OCC 7a_100011215311_100009817359 [0,1,1,0,0,0|1,0,1]=4 359 B13R0.1077 CCOC(=O)CC(C)NC(C)(C)CC 2230a_100000211385_100009817359 [0,1,1,0,0,0|2,0,0]=4 360 B13R0.1077 CCOC(=O)CC(C)NC(C)(C)CO 2230a_100000210608_100009817359 [0,1,1,0,0,0|1,0,0]=3 361 B13R0.1077 CCOC(=O)CC(C)OC(C)(C)CC 7a_100000210230_100009817359 [0,1,1,0,0,0|1,0,0]=3 362 B13R0.1077 CCOC(=O)CC(C)OC(C)(C)CCl 7a_100000764493_100009817359 [0,1,1,0,0,0|1,0,0]=3 363 B13R0.1077 CCOC(=O)CC(C)SC(C)(C)CC 62a_100000032637_100009817359 [0,1,1,0,0,0|1,1,0]=4 364 B13R0.1077 CCOC(=O)CC(C)SC(C)(C)CC 62a_100009817359_100000032637 [0,1,1,0,0,0|1,1,0]=4 365 B13R0.1077 CCOC(=O)CC(C)SC(F)(F)CO 62a_100009817359_100011217949 [0,1,1,0,0,0|1,1,0]=4 366 B13R0.1077 CCOC(=O)CC(C)SC(F)(F)CO 62a_100011217949_100009817359 [0,1,1,0,0,0|1,1,0]=4 367 B13R0.1077 CCOC(=O)CN(C)CC(C)(C)CO 2230a_100000732702_100000188475 [0,1,1,0,0,0|2,0,0]=4 368 B13R0.1077 CCOC(=O)CN(C)CC(C)(C)CO 269982a_100000732702_100000188475 [0,1,1,0,0,0|2,0,0]=4 369 B13R0.1077 CCOC(=O)C[C@@H](C)OC(C)(C)C#N 7a_100009816390_100011162410 [0,1,1,0,0,0|1,0,1]=4 370 B13R0.1077 CCOC(=O)C[C@@H](C)OC(C)(C)CC 7a_100009816390_100000210677 [0,1,1,0,0,0|1,0,0]=3 371 B13R0.26 C=C(C)CO[C@H](CCl)CC(=O)OCC 7a_100000688340_100000748629 [0,1,1,0,0,0|1,0,1]=4 372 B13R0.26 CCOC(=O)CN(CC)CCC(C)O 2230a_100000220607_100012276601 [0,1,1,0,0,0|2,0,0]=4 373 B13R0.26 CCOC(=O)CN(CC)CCC(C)O 269982a_100000220607_100012276601 [0,1,1,0,0,0|2,0,0]=4 374 B13R0.26 CCOC(=O)C[C@@H](CCl)OCC(C)C 7a_100000688340_100000210760 [0,1,1,0,0,0|1,0,0]=3 375 B13R0.26 CCOC(=O)C[C@@H](CCl)OCC(C)O 7a_100000688340_100011218427 [0,1,1,0,0,0|0,0,0]=2 376 B13R0.26 CCOC(=O)C[C@@H](CCl)OCC(F)F 7a_100000688340_100011934356 [0,1,1,0,0,0|2,0,0]=4 377 B13R0.26 CCOC(=O)C[C@@H](CCl)OC[C@@H](C)O 7a_100000688340_100009817552 [0,1,1,0,0,0|0,0,0]=2 378 B13R0.55 CCOC(=O)CC(C)C(=O)CC(C)C 1458a_100000210554_100009817359 [0,1,1,0,0,0|2,0,0]=4 379 B13R0.55 CCOC(=O)CC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100009817359 [0,1,1,0,0,0|1,0,0]=3 380 B13R0.55 CCOC(=O)CC(C)N(C)CC(C)C 2230a_100000747067_100009817359 [0,1,1,0,0,0|2,0,0]=4 381 B13R0.55 CCOC(=O)CC(C)N(C)CC(C)C 269982a_100000747067_100009817359 [0,1,1,0,0,0|2,0,0]=4 382 B13R0.55 CCOC(=O)CC(C)N(C)CC(C)O 2230a_100000227577_100009817359 [0,1,1,0,0,0|1,0,0]=3 383 B13R0.55 CCOC(=O)CC(C)N(C)CC(C)O 269982a_100000227577_100009817359 [0,1,1,0,0,0|1,0,0]=3 384 B13R0.55 CCOC(=O)CN(C)C(=O)C[C@@H](C)O 240690a_100000220588_100011933948 [0,1,1,0,0,0|2,0,0]=4 385 B13R0.55 CCOC(=O)OC(C)N(C)CC(C)O 269982a_100000227577_100000036008 [0,1,1,0,0,0|2,0,0]=4 386 B13R0.264 CCOC(=O)C(=O)C(C)NCC(C)O 2230a_100000210904_100010256902 [0,1,1,0,0,0|1,0,1]=4 387 B13R0.264 CCOC(=O)C(=O)C(C)SCC(C)O 62a_100010256902_100011218427 [0,1,1,0,0,0|0,1,1]=4 388 B13R0.264 CCOC(=O)C(=O)C(C)SCC(C)O 62a_100011218427_100010256902 [0,1,1,0,0,0|0,1,1]=4 389 B13R0.264 CCOC(=O)C(=O)C(C)SC[C@@H](C)O 62a_100009817552_100010256902 [0,1,1,0,0,0|0,1,1]=4 390 B13R0.264 CCOC(=O)C(=O)C(C)SC[C@@H](C)O 62a_100010256902_100009817552 [0,1,1,0,0,0|0,1,1]=4 391 B13R0.615 CC(C)OC(=O)OC(C)SC[C@@H](C)O 62a_100000067433_100009817552 [0,1,1,0,0,0|1,1,0]=4 392 B13R0.615 CC(C)OC(=O)OC(C)SC[C@@H](C)O 62a_100009817552_100000067433 [0,1,1,0,0,0|1,1,0]=4 393 B13R0.615 CC(O)CSC(C)OC(=O)OC(C)C 62a_100000067433_100011218427 [0,1,1,0,0,0|1,1,0]=4 394 B13R0.615 CC(O)CSC(C)OC(=O)OC(C)C 62a_100011218427_100000067433 [0,1,1,0,0,0|1,1,0]=4 395 B13R0.1518 C=C(C)COC(C)(C)CC(=O)OCC 7a_100000765344_100000748629 [0,1,1,0,0,0|1,0,1]=4 396 B13R0.1518 CCOC(=O)CC(C)(C)OCC(C)C 7a_100000765344_100000210760 [0,1,1,0,0,0|1,0,0]=3 397 B13R0.1518 CCOC(=O)CC(C)(C)OCC(C)O 7a_100000765344_100011218427 [0,1,1,0,0,0|0,0,0]=2 398 B13R0.1518 CCOC(=O)CC(C)(C)OCC(F)F 7a_100000765344_100011934356 [0,1,1,0,0,0|2,0,0]=4 399 B13R0.1518 CCOC(=O)CC(C)(C)OC[C@@H](C)O 7a_100000765344_100009817552 [0,1,1,0,0,0|0,0,0]=2 400 B13R0.1521 C=CC(C)COC(C)CC(=O)OCC 7a_100011215527_100009817359 [0,1,1,0,0,0|1,0,0]=3 401 B13R0.1521 C=CC(O)CO[C@H](C)CC(=O)OCC 7a_100009816390_100000730141 [0,1,1,0,0,0|0,0,1]=3 402 B13R0.1521 C=CC(O)CSC(C)CC(=O)OCC 62a_100000730141_100009817359 [0,1,1,0,0,0|0,1,1]=4 403 B13R0.1521 C=CC(O)CSC(C)CC(=O)OCC 62a_100009817359_100000730141 [0,1,1,0,0,0|0,1,1]=4 404 B13R0.1521 CCOC(=O)CC(C)NCC(C)CC 2230a_100020588543_100009817359 [0,1,1,0,0,0|2,0,0]=4 405 B13R0.1521 CCOC(=O)CC(C)NCC(O)CC 2230a_100011218483_100009817359 [0,1,1,0,0,0|1,0,0]=3 406 B13R0.1521 CCOC(=O)CC(C)NC[C@@H](C)OC 2230a_100020591295_100009817359 [0,1,1,0,0,0|1,0,0]=3 407 B13R0.1521 CCOC(=O)CC(C)NC[C@H](O)CO 2230a_100020644852_100009817359 [0,1,1,0,0,0|1,0,0]=3 408 B13R0.1521 CCOC(=O)CC(C)OC[C@@H](C)CC 7a_100009816381_100009817359 [0,1,1,0,0,0|1,0,0]=3 409 B13R0.1521 CCOC(=O)CC(C)SCC(C)CC 62a_100000748023_100009817359 [0,1,1,0,0,0|1,1,0]=4 410 B13R0.1521 CCOC(=O)CC(C)SCC(C)CC 62a_100009817359_100000748023 [0,1,1,0,0,0|1,1,0]=4 411 B13R0.1521 CCOC(=O)CC(C)SCC(O)CC 62a_100009817359_100011218378 [0,1,1,0,0,0|0,1,0]=3 412 B13R0.1521 CCOC(=O)CC(C)SCC(O)CC 62a_100011218378_100009817359 [0,1,1,0,0,0|0,1,0]=3 413 B13R0.1521 CCOC(=O)CC(C)SCC(O)CO 62a_100009817359_100011219619 [0,1,1,0,0,0|0,1,0]=3 414 B13R0.1521 CCOC(=O)CC(C)SCC(O)CO 62a_100011219619_100009817359 [0,1,1,0,0,0|0,1,0]=3 415 B13R0.1521 CCOC(=O)CC(C)SC[C@@H](C)CC 62a_100009816398_100009817359 [0,1,1,0,0,0|1,1,0]=4 416 B13R0.1521 CCOC(=O)CC(C)SC[C@@H](C)CC 62a_100009817359_100009816398 [0,1,1,0,0,0|1,1,0]=4 417 B13R0.1521 CCOC(=O)CC(C)SC[C@@H](C)CO 62a_100000059175_100009817359 [0,1,1,0,0,0|0,1,0]=3 418 B13R0.1521 CCOC(=O)CC(C)SC[C@@H](C)CO 62a_100009817359_100000059175 [0,1,1,0,0,0|0,1,0]=3 419 B13R0.1521 CCOC(=O)CC(C)SC[C@@H](O)CF 62a_100009817359_100015614560 [0,1,1,0,0,0|0,1,0]=3 420 B13R0.1521 CCOC(=O)CC(C)SC[C@@H](O)CF 62a_100015614560_100009817359 [0,1,1,0,0,0|0,1,0]=3 421 B13R0.1521 CCOC(=O)CC(C)SC[C@@H](O)CO 62a_100009815848_100009817359 [0,1,1,0,0,0|0,1,0]=3 422 B13R0.1521 CCOC(=O)CC(C)SC[C@@H](O)CO 62a_100009817359_100009815848 [0,1,1,0,0,0|0,1,0]=3 423 B13R0.1521 CCOC(=O)C[C@@H](C)OCC(=O)CC 7a_100009816390_100000747405 [0,1,1,0,0,0|0,0,2]=4 424 B13R0.1521 CCOC(=O)C[C@@H](C)OCC(=O)NC 7a_100009816390_100000183359 [0,1,1,0,0,0|0,0,2]=4 425 B13R0.1521 CCOC(=O)C[C@@H](C)OCC(=O)OC 7a_100009816390_100000747449 [0,1,1,0,0,0|0,0,2]=4 426 B13R0.1521 CCOC(=O)C[C@@H](C)OCC(C)CC 7a_100009816390_100000748023 [0,1,1,0,0,0|1,0,0]=3 427 B13R0.1521 CCOC(=O)C[C@@H](C)OCC(O)CC 7a_100009816390_100011218378 [0,1,1,0,0,0|0,0,0]=2 428 B13R0.1521 CCOC(=O)C[C@@H](C)OCC(O)CO 7a_100009816390_100011219619 [0,1,1,0,0,0|0,0,0]=2 429 B13R0.1521 CCOC(=O)C[C@@H](C)OC[C@@H](C)CC 7a_100009816390_100009816398 [0,1,1,0,0,0|1,0,0]=3 430 B13R0.1521 CCOC(=O)C[C@@H](C)OC[C@@H](C)CO 7a_100009816390_100000059175 [0,1,1,0,0,0|0,0,0]=2 431 B13R0.1521 CCOC(=O)C[C@@H](C)OC[C@@H](O)CF 7a_100009816390_100015614560 [0,1,1,0,0,0|0,0,0]=2 432 B13R0.1521 CCOC(=O)C[C@@H](C)OC[C@@H](O)CO 7a_100009816390_100009815848 [0,1,1,0,0,0|0,0,0]=2 433 B13R0.1521 CCOC(=O)OC(C)SCC(O)CC 62a_100000036008_100011218378 [0,1,1,0,0,0|1,1,0]=4 434 B13R0.1521 CCOC(=O)OC(C)SCC(O)CC 62a_100011218378_100000036008 [0,1,1,0,0,0|1,1,0]=4 435 B13R0.1521 CCOC(=O)OC(C)SCC(O)CO 62a_100000036008_100011219619 [0,1,1,0,0,0|1,1,0]=4 436 B13R0.1521 CCOC(=O)OC(C)SCC(O)CO 62a_100011219619_100000036008 [0,1,1,0,0,0|1,1,0]=4 437 B13R0.1521 CCOC(=O)OC(C)SC[C@@H](C)CO 62a_100000036008_100000059175 [0,1,1,0,0,0|1,1,0]=4 438 B13R0.1521 CCOC(=O)OC(C)SC[C@@H](C)CO 62a_100000059175_100000036008 [0,1,1,0,0,0|1,1,0]=4 439 B13R0.1521 CCOC(=O)OC(C)SC[C@@H](O)CF 62a_100000036008_100015614560 [0,1,1,0,0,0|1,1,0]=4 440 B13R0.1521 CCOC(=O)OC(C)SC[C@@H](O)CF 62a_100015614560_100000036008 [0,1,1,0,0,0|1,1,0]=4 441 B13R0.1521 CCOC(=O)OC(C)SC[C@@H](O)CO 62a_100000036008_100009815848 [0,1,1,0,0,0|1,1,0]=4 442 B13R0.1521 CCOC(=O)OC(C)SC[C@@H](O)CO 62a_100009815848_100000036008 [0,1,1,0,0,0|1,1,0]=4 443 B13R0.1522 CCOC(=O)CC(C)NCC(C)(C)C 2230a_100000743828_100009817359 [0,1,1,0,0,0|2,0,0]=4 444 B13R0.1522 CCOC(=O)CC(C)NCC(C)(C)F 2230a_100020643315_100009817359 [0,1,1,0,0,0|2,0,0]=4 445 B13R0.1522 CCOC(=O)CC(C)NCC(C)(C)O 2230a_100000751335_100009817359 [0,1,1,0,0,0|1,0,0]=3 446 B13R0.1522 CCOC(=O)CC(C)SCC(C)(C)C 62a_100009817359_100011219605 [0,1,1,0,0,0|1,1,0]=4 447 B13R0.1522 CCOC(=O)CC(C)SCC(C)(C)C 62a_100011219605_100009817359 [0,1,1,0,0,0|1,1,0]=4 448 B13R0.1522 CCOC(=O)CC(C)SCC(C)(C)F 62a_100009817359_100011997219 [0,1,1,0,0,0|1,1,0]=4 449 B13R0.1522 CCOC(=O)CC(C)SCC(C)(C)F 62a_100011997219_100009817359 [0,1,1,0,0,0|1,1,0]=4 450 B13R0.1522 CCOC(=O)CC(C)SCC(C)(C)O 62a_100000764493_100009817359 [0,1,1,0,0,0|0,1,0]=3 451 B13R0.1522 CCOC(=O)CC(C)SCC(C)(C)O 62a_100009817359_100000764493 [0,1,1,0,0,0|0,1,0]=3 452 B13R0.1522 CCOC(=O)CN(C)CCC(C)(C)O 2230a_100000220588_100000702414 [0,1,1,0,0,0|2,0,0]=4 453 B13R0.1522 CCOC(=O)C[C@@H](C)OCC(C)(C)O 7a_100009816390_100000764493 [0,1,1,0,0,0|0,0,0]=2 454 B13R0.1522 CCOC(=O)C[C@@H](C)OC[Si](C)(C)C 7a_100009816390_100000233785 [0,1,1,0,0,0|1,1,0]=4 455 B13R0.1522 CCOC(=O)OC(C)SCC(C)(C)O 62a_100000036008_100000764493 [0,1,1,0,0,0|1,1,0]=4 456 B13R0.1522 CCOC(=O)OC(C)SCC(C)(C)O 62a_100000764493_100000036008 [0,1,1,0,0,0|1,1,0]=4 457 B13R0.809 C#CCCOC(C)(C)CC(=O)OCC 7a_100000765344_100000688953 [0,1,1,0,0,0|1,0,1]=4 458 B13R0.809 C/C=C/COC(C)(C)CC(=O)OCC 7a_100000765344_100102629194 [0,1,1,0,0,0|1,0,1]=4 459 B13R0.809 C=CCCOC(C)(C)CC(=O)OCC 7a_100000765344_100000754431 [0,1,1,0,0,0|1,0,1]=4 460 B13R0.809 CC#CCOC(C)(C)CC(=O)OCC 7a_100000765344_100000748600 [0,1,1,0,0,0|1,0,1]=4 461 B13R0.809 CC=CCOC(C)(C)CC(=O)OCC 7a_100000765344_100000070051 [0,1,1,0,0,0|1,0,1]=4 462 B13R0.809 CCCCOC(C)(C)CC(=O)OCC 7a_100000765344_100000210211 [0,1,1,0,0,0|1,0,0]=3 463 B13R0.809 CCOC(=O)CC(C)(C)OCCC#N 7a_100000765344_100000184422 [0,1,1,0,0,0|1,0,1]=4 464 B13R0.809 CCOC(=O)CC(C)(C)OCCCF 7a_100000765344_100011934791 [0,1,1,0,0,0|1,0,0]=3 465 B13R0.809 CCOC(=O)CC(C)(C)OCCCO 7a_100000765344_100011215043 [0,1,1,0,0,0|1,0,0]=3 466 B13R0.809 CCOC(=O)CC(C)(C)OCCOC 7a_100000765344_100000233755 [0,1,1,0,0,0|1,0,0]=3 467 B13R0.809 CCOC(=O)CC(C)(C)OCCSC 7a_100000765344_100000212216 [0,1,1,0,0,0|1,0,0]=3 468 B13R1.2547 C#CCCC(=O)CC1(OCCO1)C 1458a_100000137474_100000753159 [1,1,0,0,0,0|1,0,1]=4 469 B13R1.2547 C#CCNC(=O)CC1(OCCO1)C 11a_100000212058_100000137474 [1,1,0,0,0,0|1,0,1]=4 470 B13R1.2547 C#CCNC(=O)CC1(OCCO1)C 527a_100000212058_100000137474 [1,1,0,0,0,0|1,0,1]=4 471 B13R1.2547 C/C=C/CC(=O)CC1(OCCO1)C 1458a_100000137474_100102629194 [1,1,0,0,0,0|1,0,1]=4 472 B13R1.2547 C=CCCC(=O)CC1(OCCO1)C 1458a_100000137474_100000754431 [1,1,0,0,0,0|1,0,1]=4 473 B13R1.2547 C=CCNC(=O)CC1(OCCO1)C 527a_100020586998_100000137474 [1,1,0,0,0,0|1,0,1]=4 474 B13R1.2547 CC#CCC(=O)CC1(OCCO1)C 1458a_100000137474_100000748600 [1,1,0,0,0,0|1,0,1]=4 475 B13R1.2547 CC1(OCCO1)CC(=O)CCC#N 1458a_100000137474_100011215226 [1,1,0,0,0,0|1,0,1]=4 476 B13R1.2547 CC1(OCCO1)CC(=O)CCCF 1458a_100000137474_100011934791 [1,1,0,0,0,0|1,0,0]=3 477 B13R1.2547 CC1(OCCO1)CC(=O)CCCO 1458a_100000137474_100011215043 [1,1,0,0,0,0|1,0,0]=3 478 B13R1.2547 CC1(OCCO1)CC(=O)NCC#N 527a_100000734998_100000137474 [1,1,0,0,0,0|1,0,1]=4 479 B13R1.2547 CC1(OCCO1)CC(=O)NCCF 11a_100000724931_100000137474 [1,1,0,0,0,0|1,0,0]=3 480 B13R1.2547 CC1(OCCO1)CC(=O)NCCF 527a_100000724931_100000137474 [1,1,0,0,0,0|1,0,0]=3 481 B13R1.2547 CC1(OCCO1)CC(=O)NCCO 527a_100000210304_100000137474 [1,1,0,0,0,0|1,0,0]=3 482 B13R1.2547 CC=CCC(=O)CC1(OCCO1)C 1458a_100000137474_100000070051 [1,1,0,0,0,0|1,0,1]=4 483 B13R1.2547 CCCCC(=O)CC1(OCCO1)C 1458a_100000137474_100000210211 [1,1,0,0,0,0|1,0,0]=3 484 B13R1.2547 CCCNC(=O)CC1(OCCO1)C 11a_100020643023_100000137474 [1,1,0,0,0,0|1,0,0]=3 485 B13R1.2547 CCCNC(=O)CC1(OCCO1)C 527a_100020643023_100000137474 [1,1,0,0,0,0|1,0,0]=3 486 B13R1.2547 CCNNC(=O)CC1(OCCO1)C 22a_100000756455_100000137474 [1,1,0,0,0,0|1,0,0]=3 487 B13R1.2547 COCCC(=O)CC1(OCCO1)C 1458a_100000137474_100000233755 [1,1,0,0,0,0|1,0,0]=3 488 B13R1.2547 CSCCC(=O)CC1(OCCO1)C 1458a_100000137474_100000751147 [1,1,0,0,0,0|1,0,0]=3 489 B13R1.2667 CCC(C)C(=O)CC1(OCCO1)C 1458a_100000137474_100000758301 [1,1,0,0,0,0|1,0,0]=3 490 B13R1.2667 CCN(C)C(=O)CC1(OCCO1)C 11a_100000225621_100000137474 [1,1,0,0,0,0|1,0,0]=3 491 B13R1.2667 CCN(C)C(=O)CC1(OCCO1)C 527a_100000225621_100000137474 [1,1,0,0,0,0|1,0,0]=3 492 B13R1.7476 C=C(C)CC(=O)CC1(OCCO1)C 1458a_100000137474_100000748629 [1,1,0,0,0,0|1,0,1]=4 493 B13R1.7476 CC(C)CC(=O)CC1(OCCO1)C 1458a_100000137474_100000210624 [1,1,0,0,0,0|1,0,0]=3 494 B13R1.7476 CC(C)NC(=O)CC1(OCCO1)C 11a_100138425928_100000137474 [1,1,0,0,0,0|1,0,0]=3 495 B13R1.7476 CC(C)NC(=O)CC1(OCCO1)C 527a_100138425928_100000137474 [1,1,0,0,0,0|1,0,0]=3 496 B13R1.7476 CC(O)CC(=O)CC1(OCCO1)C 1458a_100000137474_100011218427 [1,1,0,0,0,0|1,0,0]=3 497 B13R1.7476 CC1(OCCO1)CC(=O)CC(F)F 1458a_100000137474_100011934356 [1,1,0,0,0,0|2,0,0]=4 498 B13R1.1513 CCOC(=O)CC(C)NC1(CC1)C 2230a_100000757604_100009817359 [0,0,1,1,0,0|2,0,0]=4 499 B13R1.1513 CCOC(=O)CC(C)OC1(CC1)C 7a_100011725673_100009817359 [0,0,1,1,0,0|1,0,0]=3 500 B13R1.2845 CCOC(=O)CC(C)N[C@@H]1C[C@@H]1F 2230a_100015190264_100009817359 [0,0,1,1,0,0|2,0,0]=4 501 B13R1.2845 CCOC(=O)CC(C)N[C@@H]1C[C@H]1F 2230a_100025746932_100009817359 [0,0,1,1,0,0|2,0,0]=4 502 B13R1.2846 CCOC(=O)CC(C)NC1CCC1 2230a_100000749019_100009817359 [0,0,1,1,0,0|2,0,0]=4 503 B13R1.2846 CCOC(=O)CC(C)NC1COC1 2230a_100016991112_100009817359 [0,0,1,1,0,0|1,0,0]=3 504 B13R1.2846 CCOC(=O)CC(C)OC1CSC1 7a_100000072292_100009817359 [0,0,1,1,0,0|0,1,0]=3 505 B13R1.2846 CCOC(=O)CC(C)SC1CCC1 62a_100009817359_100000749161 [0,0,1,1,0,0|1,1,0]=4 506 B13R1.2846 CCOC(=O)CC(C)SC1COC1 62a_100009817359_100009818527 [0,0,1,1,0,0|0,1,0]=3 507 B13R1.2846 CCOC(=O)CN(C)CC1COC1 2230a_100000220588_100010264016 [0,0,1,1,0,0|2,0,0]=4 508 B13R1.2846 CCOC(=O)C[C@@H](C)OC1COC1 7a_100009816390_100009818527 [0,0,1,1,0,0|0,0,0]=2 509 B13R1.2846 CCOC(=O)OC(C)SC1COC1 62a_100000036008_100009818527 [0,0,1,1,0,0|1,1,0]=4 510 B13R1.2848 CCOC(=O)CC(C)N1CCC1C 269982a_100000755817_100009817359 [0,0,1,1,0,0|2,0,0]=4 511 B13R1.2874 CC1CC(CC(O1)C)OC(C)CO 34a_200000691454_100012180447 [0,0,1,1,0,0|1,0,1]=4 512 B13R1.2874 CC1CC(CC(O1)C)OC(C)CO 7a_200000691454_100012180447 [0,0,1,1,0,0|1,0,1]=4 513 B13R1.2972 CCN1CC(CC1=O)NC(C)CO 2230a_100015184948_100012180447 [0,0,1,1,0,0|2,0,0]=4 514 B13R1.2972 CCN1CC(CC1=O)NC(C)CO 34a_100015184948_100012180447 [0,0,1,1,0,0|2,0,0]=4 515 B13R1.4568 CCOC(=O)CN1CC(C1)(C)CO 2230a_100015203900_100000188475 [0,0,1,1,0,0|2,0,0]=4 516 B13R1.4568 CCOC(=O)CN1CC(C1)(C)CO 269982a_100015203900_100000188475 [0,0,1,1,0,0|2,0,0]=4 517 B13R1.19 CCCC(=O)CC1CCC(CC1)O 1458a_100012184027_100000210303 [0,0,1,1,0,0|2,0,0]=4 518 B13R1.19 CCNC(=O)CC1CCC(CC1)O 240690a_100015525214_100012184027 [0,0,1,1,0,0|2,0,0]=4 519 B13R1.19 CCNC(=O)CC1CCC(CC1)O 527a_100015525214_100012184027 [0,0,1,1,0,0|2,0,0]=4 520 B13R1.19 CCOC(=O)CN1CCC(CC1)O 2230a_100025773856_100000188475 [0,0,1,1,0,0|2,0,0]=4 521 B13R1.19 CCOC(=O)CN1CCC(CC1)O 269982a_100025773856_100000188475 [0,0,1,1,0,0|2,0,0]=4 522 B13R1.69 CCN1CC(CC1=O)NCC(C)O 2230a_100015184948_100011218427 [0,0,1,1,0,0|2,0,0]=4 523 B13R1.69 CCN1CC(CC1=O)NCC(C)O 34a_100015184948_100011218427 [0,0,1,1,0,0|2,0,0]=4 524 B13R1.69 CCN1CC(CC1=O)NC[C@@H](C)O 2230a_100015184948_100009817552 [0,0,1,1,0,0|2,0,0]=4 525 B13R1.69 CCN1CC(CC1=O)NC[C@@H](C)O 34a_100015184948_100009817552 [0,0,1,1,0,0|2,0,0]=4 526 B13R1.2847 CCOC(=O)CC(C)NCC1CC1 2230a_100000735609_100009817359 [0,0,1,1,0,0|2,0,0]=4 527 B13R1.2847 CCOC(=O)CC(C)SCC1CC1 62a_100000756562_100009817359 [0,0,1,1,0,0|1,1,0]=4 528 B13R1.2847 CCOC(=O)CC(C)SCC1CC1 62a_100009817359_100000742324 [0,0,1,1,0,0|1,1,0]=4 529 B13R1.2847 CCOC(=O)CC(C)SCC1CO1 62a_100009817359_102125554688 [0,0,1,1,0,0|0,1,0]=3 530 B13R1.2847 CCOC(=O)CC(C)SCC1CO1 62a_102125554688_100009817359 [0,0,1,1,0,0|0,1,0]=3 531 B13R1.2847 CCOC(=O)CC(C)SCC1CS1 62a_100000031435_100009817359 [0,0,1,1,0,0|0,2,0]=4 532 B13R1.2847 CCOC(=O)CC(C)SCC1CS1 62a_100009817359_100000031435 [0,0,1,1,0,0|0,2,0]=4 533 B13R1.2847 CCOC(=O)CC(C)SC[C@@H]1CO1 62a_100000745022_100009817359 [0,0,1,1,0,0|0,1,0]=3 534 B13R1.2847 CCOC(=O)CC(C)SC[C@@H]1CO1 62a_100009817359_100000745022 [0,0,1,1,0,0|0,1,0]=3 535 B13R1.2847 CCOC(=O)CN(C)CCC1CO1 2230a_100000220588_100000732470 [0,0,1,1,0,0|2,0,0]=4 536 B13R1.2847 CCOC(=O)C[C@@H](C)OCC1CC1 7a_100009816390_100000742324 [0,0,1,1,0,0|1,0,0]=3 537 B13R1.2847 CCOC(=O)C[C@@H](C)OCC1CO1 7a_100009816390_102125554688 [0,0,1,1,0,0|0,0,0]=2 538 B13R1.2847 CCOC(=O)C[C@@H](C)OCC1CS1 7a_100009816390_100000031435 [0,0,1,1,0,0|0,1,0]=3 539 B13R1.2847 CCOC(=O)C[C@@H](C)OC[C@@H]1CO1 7a_100009816390_100000745022 [0,0,1,1,0,0|0,0,0]=2 540 B13R1.2847 CCOC(=O)OC(C)SCC1CO1 62a_100000036008_102125554688 [0,0,1,1,0,0|1,1,0]=4 541 B13R1.2847 CCOC(=O)OC(C)SCC1CO1 62a_102125554688_100000036008 [0,0,1,1,0,0|1,1,0]=4 542 B13R1.2847 CCOC(=O)OC(C)SC[C@@H]1CO1 62a_100000036008_100000745022 [0,0,1,1,0,0|1,1,0]=4 543 B13R1.2847 CCOC(=O)OC(C)SC[C@@H]1CO1 62a_100000745022_100000036008 [0,0,1,1,0,0|1,1,0]=4 544 B13R1.2849 CCOC(=O)CC(C)N1CC(C1)C 2230a_100000702820_100009817359 [0,0,1,1,0,0|2,0,0]=4 545 B13R1.2849 CCOC(=O)CC(C)N1CC(C1)C 269982a_100000702820_100009817359 [0,0,1,1,0,0|2,0,0]=4 546 B13R1.2849 CCOC(=O)CC(C)N1CC(C1)F 2230a_100000690557_100009817359 [0,0,1,1,0,0|2,0,0]=4 547 B13R1.2849 CCOC(=O)CC(C)N1CC(C1)F 269982a_100000690557_100009817359 [0,0,1,1,0,0|2,0,0]=4 548 B13R1.2849 CCOC(=O)CC(C)N1CC(C1)O 269982a_100000749847_100009817359 [0,0,1,1,0,0|1,0,0]=3 549 B13R1.2849 CCOC(=O)OC(C)N1CC(C1)O 269982a_100000749847_100000036008 [0,0,1,1,0,0|2,0,0]=4 550 B13R1.3420 CC(O)COC1CC(OC(C1)C)C 34a_200000691454_100011218427 [0,0,1,1,0,0|1,0,1]=4 551 B13R1.3420 CC(O)COC1CC(OC(C1)C)C 7a_200000691454_100011218427 [0,0,1,1,0,0|1,0,1]=4 552 B13R1.3420 CC1CC(CC(O1)C)OC[C@@H](C)O 34a_200000691454_100009817552 [0,0,1,1,0,0|1,0,1]=4 553 B13R1.3420 CC1CC(CC(O1)C)OC[C@@H](C)O 7a_200000691454_100009817552 [0,0,1,1,0,0|1,0,1]=4 554 B13R1.2570 CCCC(=O)CC1(CCCCC1)O 1458a_100000755886_100000210303 [0,0,1,1,0,0|2,0,0]=4 555 B13R1.2570 CCNC(=O)CC1(CCCCC1)O 240690a_100015525214_100000755886 [0,0,1,1,0,0|2,0,0]=4 556 B13R1.2570 CCNC(=O)CC1(CCCCC1)O 527a_100015525214_100000755886 [0,0,1,1,0,0|2,0,0]=4 557 B11R0.43 C#C[C@@H](C)OC(C)C(=O)OCC 34a_100009815206_100011216346 [0,0,1,0,1,0|1,0,1]=4 558 B11R0.43 C#C[C@@H](C)OC(C)C(=O)OCC 7a_100009815206_100011216346 [0,0,1,0,1,0|1,0,1]=4 559 B11R0.43 C=CC(C)OC(C)C(=O)OCC 34a_100000695699_100011216346 [0,0,1,0,1,0|1,0,1]=4 560 B11R0.43 CCNC(=O)C(C)NC(C)CO 2230a_100000736553_100012180447 [0,0,1,0,1,0|2,0,0]=4 561 B11R0.43 CCNC(=O)C(C)NC(C)CO 34a_100000736553_100012180447 [0,0,1,0,1,0|2,0,0]=4 562 B11R0.43 CCNC(=O)C(C)N[C@H](C)CO 2230a_100000737577_100000230173 [0,0,1,0,1,0|2,0,0]=4 563 B11R0.43 CCNC(=O)C(C)OC(C)CC 7a_100000210228_100000230173 [0,0,1,0,1,0|2,0,0]=4 564 B11R0.43 CCNC(=O)C(C)OC(C)CF 34a_100016041109_100000230173 [0,0,1,0,1,0|2,0,0]=4 565 B11R0.43 CCNC(=O)C(C)OC(C)CF 7a_100016041109_100000230173 [0,0,1,0,1,0|2,0,0]=4 566 B11R0.43 CCNC(=O)C(C)OC(C)CN 34a_100000210904_100000230173 [0,0,1,0,1,0|2,0,0]=4 567 B11R0.43 CCNC(=O)C(C)SC(C)CO 62a_100012180447_100000230173 [0,0,1,0,1,0|1,1,0]=4 568 B11R0.43 CCNC(=O)C(C)S[C@H](C)CO 62a_100000230173_100016084084 [0,0,1,0,1,0|1,1,0]=4 569 B11R0.43 CCNC(=O)C(C)S[C@H](C)CO 62a_100016084084_100000230173 [0,0,1,0,1,0|1,1,0]=4 570 B11R0.43 CCOC(=O)C(C)NC(C)CC 2230a_100000209981_100011215307 [0,0,1,0,1,0|2,0,0]=4 571 B11R0.43 CCOC(=O)C(C)N[C@H](C)CO 2230a_100000737577_100011215307 [0,0,1,0,1,0|1,0,0]=3 572 B11R0.43 CCOC(=O)C(C)OC(C)C#N 34a_100011218135_100011216346 [0,0,1,0,1,0|1,0,1]=4 573 B11R0.43 CCOC(=O)C(C)OC(C)CC 7a_100000210228_100011216346 [0,0,1,0,1,0|1,0,0]=3 574 B11R0.43 CCOC(=O)C(C)OC(C)CF 34a_100016041109_100011216346 [0,0,1,0,1,0|1,0,0]=3 575 B11R0.43 CCOC(=O)C(C)OC(C)CF 7a_100016041109_100011216346 [0,0,1,0,1,0|1,0,0]=3 576 B11R0.43 CCOC(=O)C(C)OC(C)CN 34a_100000210904_100011216346 [0,0,1,0,1,0|1,0,0]=3 577 B11R0.43 CCOC(=O)C(C)SC(C)CC 62a_100000758301_100011216346 [0,0,1,0,1,0|1,1,0]=4 578 B11R0.43 CCOC(=O)C(C)SC(C)CC 62a_100011216346_100000758301 [0,0,1,0,1,0|1,1,0]=4 579 B11R0.43 CCOC(=O)C(C)SC(C)CO 62a_100012180447_100011216346 [0,0,1,0,1,0|0,1,0]=3 580 B11R0.43 CCOC(=O)C(C)S[C@H](C)CO 62a_100011216346_100016084084 [0,0,1,0,1,0|0,1,0]=3 581 B11R0.43 CCOC(=O)C(C)S[C@H](C)CO 62a_100016084084_100011216346 [0,0,1,0,1,0|0,1,0]=3 582 B11R0.43 CCOC(=O)C(F)N[C@H](C)CO 2230a_100000737577_100000760018 [0,0,1,0,1,0|2,0,0]=4 583 B11R0.43 CCOC(=O)C(F)OC(C)CC 7a_100000210228_100000040065 [0,0,1,0,1,0|2,0,0]=4 584 B11R0.43 CCOC(=O)C(F)OC(C)CF 34a_100016041109_100000760018 [0,0,1,0,1,0|2,0,0]=4 585 B11R0.43 CCOC(=O)C(F)OC(C)CF 7a_100016041109_100000040065 [0,0,1,0,1,0|2,0,0]=4 586 B11R0.43 CCOC(=O)C(F)OC(C)CN 34a_100000210904_100000760018 [0,0,1,0,1,0|2,0,0]=4 587 B11R0.43 CCOC(=O)C(F)SC(C)CO 62a_100012180447_100000760018 [0,0,1,0,1,0|1,1,0]=4 588 B11R0.43 CCOC(=O)C(F)S[C@H](C)CO 62a_100000760018_100016084084 [0,0,1,0,1,0|1,1,0]=4 589 B11R0.43 CCOC(=O)C(F)S[C@H](C)CO 62a_100016084084_100000760018 [0,0,1,0,1,0|1,1,0]=4 590 B11R0.43 CCOC(=O)[C@H](C)OC(C)C#N 7a_100000751109_100000703298 [0,0,1,0,1,0|1,0,1]=4 591 B11R0.43 CCOC(=O)[C@H](C)OC(C)CC 7a_100000751109_100000758301 [0,0,1,0,1,0|1,0,0]=3 592 B11R0.43 CCOC(=O)[C@H](C)OC(C)CO 7a_100000751109_100012180447 [0,0,1,0,1,0|0,0,0]=2 593 B11R0.43 CCSC(=O)[C@H](C)NC(C)CO 2230a_100103168634_100012180447 [0,0,1,0,1,0|1,1,0]=4 594 B11R0.187 CCCC(=O)CN(C)C(C)CO 2230a_100000693034_100000747444 [0,0,1,0,1,0|2,0,0]=4 595 B11R0.187 CCCC(=O)CN(C)C(C)CO 269982a_100000693034_100000747444 [0,0,1,0,1,0|2,0,0]=4 596 B11R0.187 CCNC(=O)CN(C)C(C)CO 2230a_100000693034_100000183381 [0,0,1,0,1,0|2,0,0]=4 597 B11R0.187 CCNC(=O)CN(C)C(C)CO 2230a_100000741943_100012180447 [0,0,1,0,1,0|2,0,0]=4 598 B11R0.187 CCNC(=O)CN(C)C(C)CO 269982a_100000693034_100000183381 [0,0,1,0,1,0|2,0,0]=4 599 B11R0.187 CCNC(=O)CN(C)[C@H](C)CO 269982a_100000741943_100016084084 [0,0,1,0,1,0|2,0,0]=4 600 B11R0.187 CCOC(=O)CC(C)C(=O)CO 1458a_100000210174_100009817359 [0,0,1,0,1,0|1,0,1]=4 601 B11R0.187 CCOC(=O)CC(C)N(C)CC 2230a_100000225621_100009817359 [0,0,1,0,1,0|2,0,0]=4 602 B11R0.187 CCOC(=O)CC(C)N(C)CC 269982a_100000225621_100009817359 [0,0,1,0,1,0|2,0,0]=4 603 B11R0.187 CCOC(=O)CN(C)C(C)CC 2230a_100000220588_100000758301 [0,0,1,0,1,0|2,0,0]=4 604 B11R0.187 CCOC(=O)CN(C)C(C)CC 2230a_100000741768_100000188475 [0,0,1,0,1,0|2,0,0]=4 605 B11R0.187 CCOC(=O)CN(C)C(C)CC 269982a_100000741768_100000188475 [0,0,1,0,1,0|2,0,0]=4 606 B11R0.187 CCOC(=O)CN(C)C(C)CO 2230a_100000220588_100012180447 [0,0,1,0,1,0|1,0,0]=3 607 B11R0.187 CCOC(=O)CN(C)C(C)CO 2230a_100000693034_100000188475 [0,0,1,0,1,0|1,0,0]=3 608 B11R0.187 CCOC(=O)CN(C)C(C)CO 269982a_100000693034_100000188475 [0,0,1,0,1,0|1,0,0]=3 609 B11R0.59 C=C(C)COC(C)C(=O)OCC 34a_100000210245_100011216346 [0,0,1,0,1,0|1,0,1]=4 610 B11R0.59 C=C(C)CO[C@@H](C)C(=O)OCC 7a_100000751109_100000748629 [0,0,1,0,1,0|1,0,1]=4 611 B11R0.59 CCNC(=O)C(C)NCC(C)O 2230a_100000210904_100000230173 [0,0,1,0,1,0|2,0,0]=4 612 B11R0.59 CCNC(=O)C(C)NCC(C)O 2230a_100000736553_100011218427 [0,0,1,0,1,0|2,0,0]=4 613 B11R0.59 CCNC(=O)C(C)NCC(C)O 34a_100000210904_100000230173 [0,0,1,0,1,0|2,0,0]=4 614 B11R0.59 CCNC(=O)C(C)NCC(C)O 34a_100000736553_100011218427 [0,0,1,0,1,0|2,0,0]=4 615 B11R0.59 CCNC(=O)C(C)NC[C@@H](C)O 2230a_100000736553_100009817552 [0,0,1,0,1,0|2,0,0]=4 616 B11R0.59 CCNC(=O)C(C)NC[C@@H](C)O 34a_100000736553_100009817552 [0,0,1,0,1,0|2,0,0]=4 617 B11R0.59 CCNC(=O)C(C)OCC(C)Br 34a_100012180447_100000230173 [0,0,1,0,1,0|2,0,0]=4 618 B11R0.59 CCNC(=O)C(C)OCC(C)C 34a_100000210257_100000230173 [0,0,1,0,1,0|2,0,0]=4 619 B11R0.59 CCNC(=O)C(C)OCC(C)F 34a_100015925927_100000230173 [0,0,1,0,1,0|2,0,0]=4 620 B11R0.59 CCNC(=O)C(C)OC[C@@H](C)Cl 34a_100016084084_100000230173 [0,0,1,0,1,0|2,0,0]=4 621 B11R0.59 CCNC(=O)C(C)OC[C@@H](C)N 34a_100000737577_100000230173 [0,0,1,0,1,0|2,0,0]=4 622 B11R0.59 CCNC(=O)C(C)SCC(C)O 62a_100000230173_100011218427 [0,0,1,0,1,0|1,1,0]=4 623 B11R0.59 CCNC(=O)C(C)SCC(C)O 62a_100011218427_100000230173 [0,0,1,0,1,0|1,1,0]=4 624 B11R0.59 CCNC(=O)C(C)SC[C@@H](C)O 62a_100000230173_100009817552 [0,0,1,0,1,0|1,1,0]=4 625 B11R0.59 CCNC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100000230173 [0,0,1,0,1,0|1,1,0]=4 626 B11R0.59 CCOC(=O)C(C)NCC(C)C 2230a_100000210953_100011215307 [0,0,1,0,1,0|2,0,0]=4 627 B11R0.59 CCOC(=O)C(C)NCC(C)C 34a_100000210953_100011216346 [0,0,1,0,1,0|2,0,0]=4 628 B11R0.59 CCOC(=O)C(C)NCC(C)O 2230a_100000210904_100011215307 [0,0,1,0,1,0|1,0,0]=3 629 B11R0.59 CCOC(=O)C(C)NCC(C)O 34a_100000210904_100011216346 [0,0,1,0,1,0|1,0,0]=3 630 B11R0.59 CCOC(=O)C(C)OCC(=O)C 34a_100000211253_100011216346 [0,0,1,0,1,0|0,0,2]=4 631 B11R0.59 CCOC(=O)C(C)OCC(C)Br 34a_100012180447_100011216346 [0,0,1,0,1,0|1,0,0]=3 632 B11R0.59 CCOC(=O)C(C)OCC(C)C 34a_100000210257_100011216346 [0,0,1,0,1,0|1,0,0]=3 633 B11R0.59 CCOC(=O)C(C)OCC(C)F 34a_100015925927_100011216346 [0,0,1,0,1,0|1,0,0]=3 634 B11R0.59 CCOC(=O)C(C)OCC(F)F 34a_100000743014_100011216346 [0,0,1,0,1,0|2,0,0]=4 635 B11R0.59 CCOC(=O)C(C)OC[C@@H](C)Cl 34a_100016084084_100011216346 [0,0,1,0,1,0|1,0,0]=3 636 B11R0.59 CCOC(=O)C(C)OC[C@@H](C)N 34a_100000737577_100011216346 [0,0,1,0,1,0|1,0,0]=3 637 B11R0.59 CCOC(=O)C(C)SCC(C)C 62a_100000210624_100011216346 [0,0,1,0,1,0|1,1,0]=4 638 B11R0.59 CCOC(=O)C(C)SCC(C)C 62a_100011216346_100000210760 [0,0,1,0,1,0|1,1,0]=4 639 B11R0.59 CCOC(=O)C(C)SCC(C)O 62a_100011216346_100011218427 [0,0,1,0,1,0|0,1,0]=3 640 B11R0.59 CCOC(=O)C(C)SCC(C)O 62a_100011218427_100011216346 [0,0,1,0,1,0|0,1,0]=3 641 B11R0.59 CCOC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100011216346 [0,0,1,0,1,0|0,1,0]=3 642 B11R0.59 CCOC(=O)C(C)SC[C@@H](C)O 62a_100011216346_100009817552 [0,0,1,0,1,0|0,1,0]=3 643 B11R0.59 CCOC(=O)C(F)NCC(C)O 2230a_100000210904_100000760018 [0,0,1,0,1,0|2,0,0]=4 644 B11R0.59 CCOC(=O)C(F)NCC(C)O 34a_100000210904_100000760018 [0,0,1,0,1,0|2,0,0]=4 645 B11R0.59 CCOC(=O)C(F)OCC(C)Br 34a_100012180447_100000760018 [0,0,1,0,1,0|2,0,0]=4 646 B11R0.59 CCOC(=O)C(F)OCC(C)C 34a_100000210257_100000760018 [0,0,1,0,1,0|2,0,0]=4 647 B11R0.59 CCOC(=O)C(F)OCC(C)F 34a_100015925927_100000760018 [0,0,1,0,1,0|2,0,0]=4 648 B11R0.59 CCOC(=O)C(F)OC[C@@H](C)Cl 34a_100016084084_100000760018 [0,0,1,0,1,0|2,0,0]=4 649 B11R0.59 CCOC(=O)C(F)OC[C@@H](C)N 34a_100000737577_100000760018 [0,0,1,0,1,0|2,0,0]=4 650 B11R0.59 CCOC(=O)C(F)SCC(C)O 62a_100000760018_100011218427 [0,0,1,0,1,0|1,1,0]=4 651 B11R0.59 CCOC(=O)C(F)SCC(C)O 62a_100011218427_100000760018 [0,0,1,0,1,0|1,1,0]=4 652 B11R0.59 CCOC(=O)C(F)SC[C@@H](C)O 62a_100000760018_100009817552 [0,0,1,0,1,0|1,1,0]=4 653 B11R0.59 CCOC(=O)C(F)SC[C@@H](C)O 62a_100009817552_100000760018 [0,0,1,0,1,0|1,1,0]=4 654 B11R0.59 CCOC(=O)[C@H](C)OCC(C)C 7a_100000751109_100000210760 [0,0,1,0,1,0|1,0,0]=3 655 B11R0.59 CCOC(=O)[C@H](C)OCC(C)O 7a_100000751109_100011218427 [0,0,1,0,1,0|0,0,0]=2 656 B11R0.59 CCOC(=O)[C@H](C)OCC(F)F 7a_100000751109_100011934356 [0,0,1,0,1,0|2,0,0]=4 657 B11R0.59 CCOC(=O)[C@H](C)OC[C@@H](C)O 7a_100000751109_100009817552 [0,0,1,0,1,0|0,0,0]=2 658 B11R0.59 CCSC(=O)[C@H](C)NCC(C)O 2230a_100103168634_100011218427 [0,0,1,0,1,0|1,1,0]=4 659 B11R0.59 CCSC(=O)[C@H](C)NC[C@@H](C)O 2230a_100103168634_100009817552 [0,0,1,0,1,0|1,1,0]=4 660 B11R0.247 CCCCC(C)(O)C(=O)CCC 1458a_100000137666_100000210303 [0,0,1,0,1,0|2,0,0]=4 661 B11R0.247 CCCCC(C)(O)C(=O)NCC 240690a_100015525214_100000137666 [0,0,1,0,1,0|2,0,0]=4 662 B11R0.247 CCCOC(C)(C)C(=O)OCC 34a_100000686869_100000210303 [0,0,1,0,1,0|1,0,0]=3 663 B11R0.247 CCCOC(C)(C)C(=O)OCC 7a_100000686869_100000210303 [0,0,1,0,1,0|1,0,0]=3 664 B11R0.247 CCCOC(F)(F)C(=O)OCC 34a_100000210258_100000210910 [0,0,1,0,1,0|2,0,0]=4 665 B11R0.247 CCCSC(C)(C)C(=O)OCC 62a_100000210303_100011216345 [0,0,1,0,1,0|1,1,0]=4 666 B11R0.247 CCCSC(C)(C)C(=O)OCC 62a_100011216345_100000210303 [0,0,1,0,1,0|1,1,0]=4 667 B11R0.247 CCOC(=O)C(C)(C)OCCF 34a_100000686869_100011217306 [0,0,1,0,1,0|2,0,0]=4 668 B11R0.247 CCOC(=O)C(C)(C)OCCF 7a_100000686869_100011217306 [0,0,1,0,1,0|2,0,0]=4 669 B11R0.247 CCOC(=O)C(C)(C)OCCO 34a_100000686869_100000211926 [0,0,1,0,1,0|2,0,0]=4 670 B11R0.247 CCOC(=O)C(C)(C)OCCO 7a_100000686869_100000211926 [0,0,1,0,1,0|2,0,0]=4 671 B11R0.247 CCOC(=O)C(C)(C)OCSC 34a_100000686869_100011218213 [0,0,1,0,1,0|2,0,0]=4 672 B11R0.240 CCCC(=O)C(C)(O)CC(C)C 1458a_100011434877_100000210303 [0,0,1,0,1,0|2,0,0]=4 673 B11R0.240 CCNC(=O)C(C)(O)CC(C)C 240690a_100015525214_100011434877 [0,0,1,0,1,0|2,0,0]=4 674 B11R0.240 CCOC(=O)C(C)(C)NC(C)C 2230a_100138425928_100011216345 [0,0,1,0,1,0|2,0,0]=4 675 B11R0.240 CCOC(=O)C(C)(C)OC(C)C 34a_100000686869_100000210206 [0,0,1,0,1,0|1,0,0]=3 676 B11R0.240 CCOC(=O)C(C)(C)OC(C)C 7a_100000686869_100000210206 [0,0,1,0,1,0|1,0,0]=3 677 B11R0.240 CCOC(=O)C(C)(C)SC(C)C 62a_100000210206_100011216345 [0,0,1,0,1,0|1,1,0]=4 678 B11R0.240 CCOC(=O)C(C)(C)SC(C)C 62a_100011216345_100000210206 [0,0,1,0,1,0|1,1,0]=4 679 B11R0.240 CCOC(=O)C(F)(F)OC(C)C 34a_100000212225_100000210910 [0,0,1,0,1,0|2,0,0]=4 680 B11R1.201 CCOC(=O)CN1CC(C1)C 2230a_100000702820_100000188475 [1,0,0,0,1,0|2,0,0]=4 681 B11R1.201 CCOC(=O)CN1CC(C1)C 269982a_100000702820_100000188475 [1,0,0,0,1,0|2,0,0]=4 682 B11R1.201 CCOC(=O)CN1CC(C1)C 34a_100000702820_100000188475 [1,0,0,0,1,0|2,0,0]=4 683 B11R1.291 CCOC(=O)CN1CCC1C 269982a_100000755817_100000188475 [1,0,0,0,1,0|2,0,0]=4 684 B11R1.291 CCOC(=O)CN1CCC1C 34a_100000755817_100000188475 [1,0,0,0,1,0|2,0,0]=4 685 B11R1.819 CCCC(=O)C1(CCCO1)C 1458a_100000684770_100000210303 [1,0,0,0,1,0|2,0,0]=4 686 B11R1.819 CCNC(=O)C1(CCCO1)C 11a_100015525214_100000684770 [1,0,0,0,1,0|2,0,0]=4 687 B11R1.819 CCNC(=O)C1(CCCO1)C 240690a_100015525214_100000684770 [1,0,0,0,1,0|2,0,0]=4 688 B11R1.819 CCNC(=O)C1(CCCO1)C 527a_100015525214_100000684770 [1,0,0,0,1,0|2,0,0]=4 689 B11R1.840 CCCC(=O)CC1(CCC1)C 1458a_100000211992_100000726658 [1,0,0,0,1,0|2,0,0]=4 690 B13R0.17 C#C[C@@H](C)OC(C)CCC(=O)OCC 34a_100009815206_100000748298 [0,0,1,0,0,1|1,0,1]=4 691 B13R0.17 C#C[C@@H](C)OC(C)CCC(=O)OCC 7a_100009815206_100000748298 [0,0,1,0,0,1|1,0,1]=4 692 B13R0.17 C=CC(C)OC(C)CCC(=O)OCC 34a_100000695699_100000748298 [0,0,1,0,0,1|1,0,1]=4 693 B13R0.17 CCOC(=O)CCC(C)NC(C)CC 2230a_100000209981_100000748298 [0,0,1,0,0,1|2,0,0]=4 694 B13R0.17 CCOC(=O)CCC(C)N[C@H](C)CO 2230a_100000737577_100000748298 [0,0,1,0,0,1|1,0,0]=3 695 B13R0.17 CCOC(=O)CCC(C)OC(C)C#N 34a_100011218135_100000748298 [0,0,1,0,0,1|1,0,1]=4 696 B13R0.17 CCOC(=O)CCC(C)OC(C)CC 7a_100000210228_100000748298 [0,0,1,0,0,1|1,0,0]=3 697 B13R0.17 CCOC(=O)CCC(C)OC(C)CF 34a_100016041109_100000748298 [0,0,1,0,0,1|1,0,0]=3 698 B13R0.17 CCOC(=O)CCC(C)OC(C)CF 7a_100016041109_100000748298 [0,0,1,0,0,1|1,0,0]=3 699 B13R0.17 CCOC(=O)CCC(C)OC(C)CN 34a_100000210904_100000748298 [0,0,1,0,0,1|1,0,0]=3 700 B13R0.17 CCOC(=O)CCC(C)SC(C)CC 62a_100000748298_100000758301 [0,0,1,0,0,1|1,1,0]=4 701 B13R0.17 CCOC(=O)CCC(C)SC(C)CC 62a_100000758301_100000748298 [0,0,1,0,0,1|1,1,0]=4 702 B13R0.17 CCOC(=O)CCC(C)SC(C)CO 62a_100012180447_100000748298 [0,0,1,0,0,1|0,1,0]=3 703 B13R0.17 CCOC(=O)CCC(C)S[C@H](C)CO 62a_100000748298_100016084084 [0,0,1,0,0,1|0,1,0]=3 704 B13R0.17 CCOC(=O)CCC(C)S[C@H](C)CO 62a_100016084084_100000748298 [0,0,1,0,0,1|0,1,0]=3 705 B13R0.17 CCOC(=O)CCN(C)C[C@@H](C)CO 2230a_100000745921_100000059175 [0,0,1,0,0,1|2,0,0]=4 706 B13R0.17 CCOC(=O)CCN(C)C[C@@H](C)CO 269982a_100000745921_100000059175 [0,0,1,0,0,1|2,0,0]=4 707 B13R0.17 CCOC(=O)CNC(C)CC(C)CC 2230a_100000763565_100000188475 [0,0,1,0,0,1|2,0,0]=4 708 B13R0.95 C=C(C)COC(C)CCC(=O)OCC 34a_100000210245_100000748298 [0,0,1,0,0,1|1,0,1]=4 709 B13R0.95 CCOC(=O)CCC(C)NCC(C)C 2230a_100000210953_100000748298 [0,0,1,0,0,1|2,0,0]=4 710 B13R0.95 CCOC(=O)CCC(C)NCC(C)C 34a_100000210953_100000748298 [0,0,1,0,0,1|2,0,0]=4 711 B13R0.95 CCOC(=O)CCC(C)NCC(C)O 2230a_100000210904_100000748298 [0,0,1,0,0,1|1,0,0]=3 712 B13R0.95 CCOC(=O)CCC(C)NCC(C)O 34a_100000210904_100000748298 [0,0,1,0,0,1|1,0,0]=3 713 B13R0.95 CCOC(=O)CCC(C)OCC(=O)C 34a_100000211253_100000748298 [0,0,1,0,0,1|0,0,2]=4 714 B13R0.95 CCOC(=O)CCC(C)OCC(C)Br 34a_100012180447_100000748298 [0,0,1,0,0,1|1,0,0]=3 715 B13R0.95 CCOC(=O)CCC(C)OCC(C)C 34a_100000210257_100000748298 [0,0,1,0,0,1|1,0,0]=3 716 B13R0.95 CCOC(=O)CCC(C)OCC(C)F 34a_100015925927_100000748298 [0,0,1,0,0,1|1,0,0]=3 717 B13R0.95 CCOC(=O)CCC(C)OCC(F)F 34a_100000743014_100000748298 [0,0,1,0,0,1|2,0,0]=4 718 B13R0.95 CCOC(=O)CCC(C)OC[C@@H](C)Cl 34a_100016084084_100000748298 [0,0,1,0,0,1|1,0,0]=3 719 B13R0.95 CCOC(=O)CCC(C)OC[C@@H](C)N 34a_100000737577_100000748298 [0,0,1,0,0,1|1,0,0]=3 720 B13R0.95 CCOC(=O)CCC(C)SCC(C)C 62a_100000210624_100000748298 [0,0,1,0,0,1|1,1,0]=4 721 B13R0.95 CCOC(=O)CCC(C)SCC(C)C 62a_100000748298_100000210760 [0,0,1,0,0,1|1,1,0]=4 722 B13R0.95 CCOC(=O)CCC(C)SCC(C)O 62a_100000748298_100011218427 [0,0,1,0,0,1|0,1,0]=3 723 B13R0.95 CCOC(=O)CCC(C)SCC(C)O 62a_100011218427_100000748298 [0,0,1,0,0,1|0,1,0]=3 724 B13R0.95 CCOC(=O)CCC(C)SC[C@@H](C)O 62a_100000748298_100009817552 [0,0,1,0,0,1|0,1,0]=3 725 B13R0.95 CCOC(=O)CCC(C)SC[C@@H](C)O 62a_100009817552_100000748298 [0,0,1,0,0,1|0,1,0]=3 726 B13R0.95 CCOC(=O)CCN(C)CCC(C)O 2230a_100000745921_100012276601 [0,0,1,0,0,1|2,0,0]=4 727 B13R0.95 CCOC(=O)CCN(C)CCC(C)O 269982a_100000745921_100012276601 [0,0,1,0,0,1|2,0,0]=4 728 B13R0.95 CCOC(=O)CNC(C)CCC(C)C 2230a_100138410893_100000188475 [0,0,1,0,0,1|2,0,0]=4 729 B13R0.95 CCOC(=O)COC(C)CCC(C)C 34a_100011215350_100000188475 [0,0,1,0,0,1|2,0,0]=4 730 B13R0.95 CCOC(=O)COC(C)CCC(C)C 7a_100011215350_100000188475 [0,0,1,0,0,1|2,0,0]=4 731 B13R0.95 CCOC(=O)CSC(C)CCC(C)C 62a_100000188475_100011261404 [0,0,1,0,0,1|2,0,0]=4 732 B13R0.95 CCOC(=O)CSC(C)CCC(C)C 62a_100011261404_100000188475 [0,0,1,0,0,1|2,0,0]=4 733 B13R0.331 C=C(C)CCO[C@H](C)CC(=O)OCC 7a_100009816390_100000730704 [0,0,1,0,0,1|1,0,1]=4 734 B13R0.331 CCOC(=O)CC(C)NCCC(C)O 2230a_200000755665_100009817359 [0,0,1,0,0,1|1,0,0]=3 735 B13R0.331 CCOC(=O)CC(C)NOCC(=O)O 269956a_100000106656_100009817359 [0,0,1,0,0,1|1,0,1]=4 736 B13R0.331 CCOC(=O)CC(C)OCCC(=O)C 7a_100000759926_100009817359 [0,0,1,0,0,1|0,0,2]=4 737 B13R0.331 CCOC(=O)CC(C)OCCC(C)C 7a_100000210254_100009817359 [0,0,1,0,0,1|1,0,0]=3 738 B13R0.331 CCOC(=O)CC(C)SCCC(C)C 62a_100000210312_100009817359 [0,0,1,0,0,1|1,1,0]=4 739 B13R0.331 CCOC(=O)CC(C)SCCC(C)C 62a_100009817359_100000210312 [0,0,1,0,0,1|1,1,0]=4 740 B13R0.331 CCOC(=O)CC(C)SCCC(C)O 62a_100009817359_100012276601 [0,0,1,0,0,1|0,1,0]=3 741 B13R0.331 CCOC(=O)CC(C)SCCC(C)O 62a_100012276601_100009817359 [0,0,1,0,0,1|0,1,0]=3 742 B13R0.331 CCOC(=O)CC(C)SCOC(C)C 62a_100000709892_100009817359 [0,0,1,0,0,1|1,1,0]=4 743 B13R0.331 CCOC(=O)CC(C)SCOC(C)C 62a_100009817359_100000709892 [0,0,1,0,0,1|1,1,0]=4 744 B13R0.331 CCOC(=O)CN(C)CCCC(C)O 2230a_100000220588_200000718107 [0,0,1,0,0,1|2,0,0]=4 745 B13R0.331 CCOC(=O)C[C@@H](C)OCC=C(C)C 7a_100009816390_100000761012 [0,0,1,0,0,1|1,0,1]=4 746 B13R0.331 CCOC(=O)C[C@@H](C)OCCC(=O)C 7a_100009816390_100000053229 [0,0,1,0,0,1|0,0,2]=4 747 B13R0.331 CCOC(=O)C[C@@H](C)OCCC(C)C 7a_100009816390_100000210626 [0,0,1,0,0,1|1,0,0]=3 748 B13R0.331 CCOC(=O)C[C@@H](C)OCCC(C)O 7a_100009816390_100012276601 [0,0,1,0,0,1|0,0,0]=2 749 B13R0.331 CCOC(=O)C[C@@H](C)OCCN(C)C 7a_100009816390_100000755713 [0,0,1,0,0,1|2,0,0]=4 750 B13R0.331 CCOC(=O)C[C@H](O)CNCC(C)O 34a_100000210904_100000688340 [0,0,1,0,0,1|2,0,0]=4 751 B13R0.331 CCOC(=O)C[C@H](O)COCC(C)Br 34a_100012180447_100000688340 [0,0,1,0,0,1|2,0,0]=4 752 B13R0.331 CCOC(=O)C[C@H](O)COCC(C)C 34a_100000210257_100000688340 [0,0,1,0,0,1|2,0,0]=4 753 B13R0.331 CCOC(=O)C[C@H](O)COCC(C)F 34a_100015925927_100000688340 [0,0,1,0,0,1|2,0,0]=4 754 B13R0.331 CCOC(=O)C[C@H](O)COC[C@@H](C)Cl 34a_100016084084_100000688340 [0,0,1,0,0,1|2,0,0]=4 755 B13R0.331 CCOC(=O)C[C@H](O)COC[C@@H](C)N 34a_100000737577_100000688340 [0,0,1,0,0,1|2,0,0]=4 756 B13R0.331 CCOC(=O)C[C@H](O)CSCC(C)O 62a_100000688340_100011218427 [0,0,1,0,0,1|1,1,0]=4 757 B13R0.331 CCOC(=O)C[C@H](O)CSCC(C)O 62a_100011218427_100000688340 [0,0,1,0,0,1|1,1,0]=4 758 B13R0.331 CCOC(=O)C[C@H](O)CSC[C@@H](C)O 62a_100000688340_100009817552 [0,0,1,0,0,1|1,1,0]=4 759 B13R0.331 CCOC(=O)C[C@H](O)CSC[C@@H](C)O 62a_100009817552_100000688340 [0,0,1,0,0,1|1,1,0]=4 760 B13R0.331 CCOC(=O)OC(C)SCCC(C)O 62a_100000036008_100012276601 [0,0,1,0,0,1|1,1,0]=4 761 B13R0.331 CCOC(=O)OC(C)SCCC(C)O 62a_100012276601_100000036008 [0,0,1,0,0,1|1,1,0]=4 762 B13R0.461 CCCCC(C)(C)OCC(=O)OCC 7a_100011219641_100000188475 [0,0,1,0,0,1|2,0,0]=4 763 B13R0.764 CCOC(=O)CNC(C)(C)CC(C)C 2230a_100011346068_100000188475 [0,0,1,0,0,1|2,0,0]=4 764 B13R0.765 CCCC(C)(CC)OCC(=O)OCC 7a_200011215934_100000188475 [0,0,1,0,0,1|2,0,0]=4 765 B13R0.765 CCCC(C)(CC)SCC(=O)OCC 62a_100000188475_200000040151 [0,0,1,0,0,1|2,0,0]=4 766 B13R0.765 CCCC(C)(CC)SCC(=O)OCC 62a_200000040151_100000188475 [0,0,1,0,0,1|2,0,0]=4 767 B13R1.41 CCOC(=O)COC1CCC(C1)C 34a_100000698185_100000188475 [1,0,0,0,0,1|2,0,0]=4 768 B13R1.1483 CC#CC(=O)CCC1(OCCO1)C 1458a_100000763181_100000758764 [1,0,0,0,0,1|1,0,1]=4 769 B13R1.1483 CC1(OCCO1)CCC(=O)CCO 1458a_100011216618_100000758764 [1,0,0,0,0,1|2,0,0]=4 770 B13R1.1483 CC1(OCCO1)CNC(=O)CCO 240690a_100000691740_100011216618 [1,0,0,0,0,1|2,0,0]=4 771 B13R1.1483 CC=CC(=O)CCC1(OCCO1)C 1458a_100000210699_100000758764 [1,0,0,0,0,1|1,0,1]=4 772 B13R1.1483 CC=CC(=O)NCC1(OCCO1)C 11a_100000691740_100000210699 [1,0,0,0,0,1|1,0,1]=4 773 B13R1.1483 CC=CC(=O)NCC1(OCCO1)C 1626a_100000691740_100000210699 [1,0,0,0,0,1|1,0,1]=4 774 B13R1.1483 CC=CC(=O)NCC1(OCCO1)C 240690a_100000691740_100000210699 [1,0,0,0,0,1|1,0,1]=4 775 B13R1.1483 CCCC(=O)CCC1(OCCO1)C 1458a_100000211992_100000758764 [1,0,0,0,0,1|1,0,0]=3 776 B13R1.1483 CCCC(=O)NCC1(OCCO1)C 11a_100000691740_100000211992 [1,0,0,0,0,1|1,0,0]=3 777 B13R1.1483 CCCC(=O)NCC1(OCCO1)C 1626a_100000691740_100000211992 [1,0,0,0,0,1|1,0,0]=3 778 B13R1.1483 CCCC(=O)NCC1(OCCO1)C 240690a_100000691740_100000211992 [1,0,0,0,0,1|1,0,0]=3 779 B13R1.1483 CCCC(=O)NCC1(OCCO1)C 527a_100000691740_100000211992 [1,0,0,0,0,1|1,0,0]=3 780 B13R1.1483 CCNC(=O)NCC1(OCCO1)C 2708a_100000691740_100015525214 [1,0,0,0,0,1|1,0,0]=3 781 B13R1.1483 CCNC(=O)NCC1(OCCO1)C 2708a_100015525214_100000691740 [1,0,0,0,0,1|1,0,0]=3 782 B13R1.1483 CCNC(=O)NCC1(OCCO1)C 273464a_100000691740_100015525214 [1,0,0,0,0,1|1,0,0]=3 783 B13R1.1483 CCNC(=O)NCC1(OCCO1)C 273464a_100015525214_100000691740 [1,0,0,0,0,1|1,0,0]=3 784 B13R1.1483 CCNC(=O)NCC1(OCCO1)C 512a_100000691740_100015525214 [1,0,0,0,0,1|1,0,0]=3 785 B13R1.1483 CCNC(=O)NCC1(OCCO1)C 512a_100015525214_100000691740 [1,0,0,0,0,1|1,0,0]=3 786 B13R1.1483 CCOC(=O)COC1(CCCC1)C 34a_100000751722_100000188475 [1,0,0,0,0,1|2,0,0]=4 787 B13R1.1483 CCOC(=O)COC1(CCCC1)C 7a_100000751722_100000188475 [1,0,0,0,0,1|2,0,0]=4 788 B13R1.1483 CNNC(=O)NCC1(OCCO1)C 273464a_100000691740_100016993582 [1,0,0,0,0,1|2,0,0]=4 789 B13R1.1483 CNNC(=O)NCC1(OCCO1)C 512a_100000691740_100016993582 [1,0,0,0,0,1|2,0,0]=4 790 B13R1.1483 CNNC(=O)NCC1(OCCO1)C 512a_100016993582_100000691740 [1,0,0,0,0,1|2,0,0]=4 791 B13R1.1483 COCC(=O)CCC1(OCCO1)C 1458a_100000210968_100000758764 [1,0,0,0,0,1|2,0,0]=4 792 B13R1.1483 COCC(=O)NCC1(OCCO1)C 11a_100000691740_100000210968 [1,0,0,0,0,1|2,0,0]=4 793 B13R1.1483 COCC(=O)NCC1(OCCO1)C 1626a_100000691740_100000210968 [1,0,0,0,0,1|2,0,0]=4 794 B13R1.1483 COCC(=O)NCC1(OCCO1)C 240690a_100000691740_100000210968 [1,0,0,0,0,1|2,0,0]=4 795 B13R1.1483 COCC(=O)NCC1(OCCO1)C 527a_100000691740_100000210968 [1,0,0,0,0,1|2,0,0]=4 796 B13R1.1483 CSCC(=O)CCC1(OCCO1)C 1458a_100000184570_100000758764 [1,0,0,0,0,1|2,0,0]=4 797 B13R1.1483 CSCC(=O)NCC1(OCCO1)C 11a_100000691740_100000184570 [1,0,0,0,0,1|2,0,0]=4 798 B13R1.1483 CSCC(=O)NCC1(OCCO1)C 1626a_100000691740_100000184570 [1,0,0,0,0,1|2,0,0]=4 799 B13R1.1483 CSCC(=O)NCC1(OCCO1)C 240690a_100000691740_100000184570 [1,0,0,0,0,1|2,0,0]=4 800 B13R1.1483 CSCC(=O)NCC1(OCCO1)C 527a_100000691740_100000184570 [1,0,0,0,0,1|2,0,0]=4