0 B8R1.50 CC1CCC(N1C)C 2230a_100000687148_200000210301 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.50 CC1CCC(N1C)C 269982a_100000687148_200000210301 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.50 CC1CCC(N1C)C 34a_100000687148_200000210301 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.50 CC1CCC(N1[13CH3])C 2230a_100000687148_200025704644 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.50 CC1CCC(N1[13CH3])C 269982a_100000687148_200025704644 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.50 CC1CCC(N1[13CH3])C 34a_100000687148_200025704644 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.50 Cc1[nH][nH]c(=O)c1O 271570a_203496583355_100000686169 [0,0,0,0,0,0|2,0,2]=4 7 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [1,0,0,0,0,0|2,0,1]=4 8 B7R1.2 C[C@@H]1CCN(C1)C 2230a_100016987628_200000210301 [1,0,0,0,0,0|2,0,1]=4 9 B7R1.2 C[C@@H]1CCN(C1)C 269982a_100016987628_200000210301 [1,0,0,0,0,0|2,0,1]=4 10 B7R1.2 C[C@@H]1CCN(C1)C 34a_100016987628_200000210301 [1,0,0,0,0,0|2,0,1]=4 11 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 2230a_100016987628_200025704644 [1,0,0,0,0,0|2,0,1]=4 12 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 269982a_100016987628_200025704644 [1,0,0,0,0,0|2,0,1]=4 13 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 34a_100016987628_200025704644 [1,0,0,0,0,0|2,0,1]=4 14 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [1,0,0,0,0,0|2,0,1]=4 15 B7R1.4 C[C@@H]1CCCN1C 2230a_100015189458_200000210301 [1,0,0,0,0,0|2,0,1]=4 16 B7R1.4 C[C@@H]1CCCN1C 269982a_100015189458_200000210301 [1,0,0,0,0,0|2,0,1]=4 17 B7R1.4 C[C@@H]1CCCN1C 34a_100015189458_200000210301 [1,0,0,0,0,0|2,0,1]=4 18 B7R1.4 C[C@@H]1CCCN1[13CH3] 2230a_100015189458_200025704644 [1,0,0,0,0,0|2,0,1]=4 19 B7R1.4 C[C@@H]1CCCN1[13CH3] 269982a_100015189458_200025704644 [1,0,0,0,0,0|2,0,1]=4 20 B7R1.4 C[C@@H]1CCCN1[13CH3] 34a_100015189458_200025704644 [1,0,0,0,0,0|2,0,1]=4 21 B7R1.4 C[C@H]1CCCN1C 2230a_100020605311_200000210301 [1,0,0,0,0,0|2,0,1]=4 22 B7R1.4 C[C@H]1CCCN1C 269982a_100020605311_200000210301 [1,0,0,0,0,0|2,0,1]=4 23 B7R1.4 C[C@H]1CCCN1[13CH3] 2230a_100020605311_200025704644 [1,0,0,0,0,0|2,0,1]=4 24 B7R1.4 C[C@H]1CCCN1[13CH3] 269982a_100020605311_200025704644 [1,0,0,0,0,0|2,0,1]=4 25 B9R1.132 CN1CCC(C1=O)S[13CH3] 62a_100000755940_200025704644 [0,1,0,0,0,0|2,0,0]=3 26 B9R1.132 CN1CCC(C1=O)S[13CH3] 62a_200025704644_100000755940 [0,1,0,0,0,0|2,0,0]=3 27 B9R1.132 CNC1CCN(C1=O)C 2230a_106832991635_100000755940 [0,1,0,0,0,0|2,0,0]=3 28 B9R1.132 CNC1CCN(C1=O)C 34a_100102657272_100000755940 [0,1,0,0,0,0|2,0,0]=3 29 B9R1.132 CNC1CCN(C1=O)C 7a_106832991635_100000755940 [0,1,0,0,0,0|2,0,0]=3 30 B9R1.132 COC1CCN(C1=O)C 34a_100138415774_100000755940 [0,1,0,0,0,0|2,0,0]=3 31 B9R1.132 CSC1CCN(C1=O)C 62a_100000755940_200000210301 [0,1,0,0,0,0|2,0,0]=3 32 B9R1.132 CSC1CCN(C1=O)C 62a_200000210301_100000755940 [0,1,0,0,0,0|2,0,0]=3 33 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [0,0,1,0,0,0|1,0,1]=3 34 B7R0.3 C#CC(=O)CCCF 1458a_100000211873_100011934791 [0,0,1,0,0,0|2,0,1]=4 35 B7R0.3 C#CC(=O)CCCO 1458a_100000211873_100011215043 [0,0,1,0,0,0|2,0,1]=4 36 B7R0.3 C#CC(=O)CCOC 1458a_100000211873_100000233755 [0,0,1,0,0,0|2,0,1]=4 37 B7R0.3 C#CC(=O)CCSC 1458a_100000211873_100000751147 [0,0,1,0,0,0|2,0,1]=4 38 B7R0.3 C#CC(C)NCC=O 2230a_100000707721_200015260668 [0,0,1,0,0,0|2,0,1]=4 39 B7R0.3 C#CC(C)NCC=O 34a_100000707721_200009817547 [0,0,1,0,0,0|2,0,1]=4 40 B7R0.3 C#CC(C)SCC=O 62a_200000035995_200015260668 [0,0,1,0,0,0|2,0,1]=4 41 B7R0.3 C#CCCC(=O)C=C 1458a_100000185746_100000753159 [0,0,1,0,0,0|1,0,2]=4 42 B7R0.3 C#C[C@@H](C)OCC=O 34a_100009815206_200009817547 [0,0,1,0,0,0|2,0,1]=4 43 B7R0.3 C#C[C@@H](C)OCC=O 7a_100009815206_200015260668 [0,0,1,0,0,0|2,0,1]=4 44 B7R0.3 C=CC(=O)C/C=C/C 1458a_100000185746_100102629194 [0,0,1,0,0,0|1,0,2]=4 45 B7R0.3 C=CC(=O)CC#CC 1458a_100000185746_100000748600 [0,0,1,0,0,0|1,0,2]=4 46 B7R0.3 C=CC(=O)CC=CC 1458a_100000185746_100000070051 [0,0,1,0,0,0|1,0,2]=4 47 B7R0.3 C=CC(=O)CCC#N 1458a_100000185746_100011215226 [0,0,1,0,0,0|2,0,1]=4 48 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [0,0,1,0,0,0|1,0,0]=2 49 B7R0.3 C=CC(=O)CCCF 1458a_100000185746_100011934791 [0,0,1,0,0,0|2,0,0]=3 50 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [0,0,1,0,0,0|2,0,0]=3 51 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [0,0,1,0,0,0|2,0,0]=3 52 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [0,0,1,0,0,0|2,0,0]=3 53 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [0,0,1,0,0,0|2,0,0]=3 54 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [0,0,1,0,0,0|2,0,0]=3 55 B7R0.3 C=CC(=O)NCCF 1626a_100000724931_100000185746 [0,0,1,0,0,0|3,0,0]=4 56 B7R0.3 C=CC(=O)NCCF 240690a_100000724931_200121576911 [0,0,1,0,0,0|3,0,0]=4 57 B7R0.3 C=CC(=O)NCCO 240690a_100000210304_200121576911 [0,0,1,0,0,0|3,0,0]=4 58 B7R0.3 C=CC(=O)NNCC 22a_100000756455_100000185746 [0,0,1,0,0,0|3,0,0]=4 59 B7R0.3 C=CC(C)OCC=O 34a_100000695699_200009817547 [0,0,1,0,0,0|2,0,0]=3 60 B7R0.3 C=CC(C)SCC=O 62a_100011215867_200015260668 [0,0,1,0,0,0|2,0,0]=3 61 B7R0.3 C=CCCC(=O)C=C 1458a_100000185746_100000754431 [0,0,1,0,0,0|1,0,2]=4 62 B7R0.3 C=CCCC(C)NC 270004a_106832991635_100000762624 [0,0,1,0,0,0|3,0,0]=4 63 B7R0.3 C=CCCC(C)OC 34a_100000765329_200000210301 [0,0,1,0,0,0|3,0,0]=4 64 B7R0.3 C=CCCC(C)OC 7a_100000765329_200000210301 [0,0,1,0,0,0|3,0,0]=4 65 B7R0.3 C=CCCC(C)O[13CH3] 34a_100000765329_200025704644 [0,0,1,0,0,0|3,0,0]=4 66 B7R0.3 C=CCCC(C)O[13CH3] 7a_100000765329_200025704644 [0,0,1,0,0,0|3,0,0]=4 67 B7R0.3 C=CCOC(C)C=C 34a_100000695699_100015514636 [0,0,1,0,0,0|3,0,0]=4 68 B7R0.3 C=CCSC(C)C=C 62a_100011215867_100000210623 [0,0,1,0,0,0|3,0,0]=4 69 B7R0.3 CC(C#N)NCC=O 2230a_100000737613_200015260668 [0,0,1,0,0,0|2,0,1]=4 70 B7R0.3 CC(C#N)OCC=O 34a_100011218135_200009817547 [0,0,1,0,0,0|2,0,1]=4 71 B7R0.3 CC(C#N)SCC=O 62a_100000703298_200015260668 [0,0,1,0,0,0|2,0,1]=4 72 B7R0.3 CC(C#N)SCC=O 62a_200015260668_100000703298 [0,0,1,0,0,0|2,0,1]=4 73 B7R0.3 CC(CF)OCC=O 34a_100016041109_200009817547 [0,0,1,0,0,0|2,0,1]=4 74 B7R0.3 CC(CF)OCC=O 7a_100016041109_200015260668 [0,0,1,0,0,0|2,0,1]=4 75 B7R0.3 CC(CN)OCC=O 34a_100000210904_200009817547 [0,0,1,0,0,0|2,0,1]=4 76 B7R0.3 CC(CO)SCC=O 62a_100012180447_200015260668 [0,0,1,0,0,0|1,0,2]=4 77 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [0,0,1,0,0,0|2,0,1]=4 78 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [0,0,1,0,0,0|2,0,1]=4 79 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [0,0,1,0,0,0|2,0,1]=4 80 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [0,0,1,0,0,0|2,0,1]=4 81 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [0,0,1,0,0,0|2,0,1]=4 82 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [0,0,1,0,0,0|2,0,1]=4 83 B7R0.3 CCC(C)NCC=O 2230a_100000209981_200015260668 [0,0,1,0,0,0|2,0,1]=4 84 B7R0.3 CCC(C)OCC=O 7a_100000210228_200015260668 [0,0,1,0,0,0|2,0,1]=4 85 B7R0.3 CCC(C)SCC=O 62a_100000758301_200015260668 [0,0,1,0,0,0|2,0,1]=4 86 B7R0.3 CCC(C)SCC=O 62a_200015260668_100000758301 [0,0,1,0,0,0|2,0,1]=4 87 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [0,0,1,0,0,0|1,0,1]=3 88 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [0,0,1,0,0,0|1,0,1]=3 89 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [0,0,1,0,0,0|1,0,1]=3 90 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [0,0,1,0,0,0|0,0,2]=3 91 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [0,0,1,0,0,0|2,0,0]=3 92 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [0,0,1,0,0,0|2,0,0]=3 93 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [0,0,1,0,0,0|2,0,0]=3 94 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [0,0,1,0,0,0|2,0,0]=3 95 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [0,0,1,0,0,0|2,0,1]=4 96 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [0,0,1,0,0,0|2,0,1]=4 97 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [0,0,1,0,0,0|2,0,1]=4 98 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [0,0,1,0,0,0|2,0,1]=4 99 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [0,0,1,0,0,0|1,0,2]=4 100 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [0,0,1,0,0,0|1,0,2]=4 101 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [0,0,1,0,0,0|3,0,0]=4 102 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [0,0,1,0,0,0|3,0,0]=4 103 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [0,0,1,0,0,0|3,0,0]=4 104 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [0,0,1,0,0,0|3,0,0]=4 105 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [0,0,1,0,0,0|3,0,0]=4 106 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [0,0,1,0,0,0|3,0,0]=4 107 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [0,0,1,0,0,0|3,0,0]=4 108 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [0,0,1,0,0,0|3,0,0]=4 109 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [0,0,1,0,0,0|3,0,0]=4 110 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [0,0,1,0,0,0|2,0,1]=4 111 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [0,0,1,0,0,0|2,0,1]=4 112 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [0,0,1,0,0,0|2,0,1]=4 113 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [0,0,1,0,0,0|3,0,0]=4 114 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [0,0,1,0,0,0|3,0,0]=4 115 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [0,0,1,0,0,0|3,0,0]=4 116 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [0,0,1,0,0,0|3,0,0]=4 117 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [0,0,1,0,0,0|3,0,0]=4 118 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [0,0,1,0,0,0|3,0,0]=4 119 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [0,0,1,0,0,0|3,0,0]=4 120 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [0,0,1,0,0,0|2,0,1]=4 121 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [0,0,1,0,0,0|2,0,1]=4 122 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [0,0,1,0,0,0|2,0,1]=4 123 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [0,0,1,0,0,0|2,0,1]=4 124 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [0,0,1,0,0,0|3,0,0]=4 125 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [0,0,1,0,0,0|3,0,0]=4 126 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [0,0,1,0,0,0|3,0,0]=4 127 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [0,0,1,0,0,0|3,0,0]=4 128 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [0,0,1,0,0,0|3,0,0]=4 129 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [0,0,1,0,0,0|3,0,0]=4 130 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [0,0,1,0,0,0|3,0,0]=4 131 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [0,0,1,0,0,0|3,0,0]=4 132 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [0,0,1,0,0,0|3,0,0]=4 133 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [0,0,1,0,0,0|3,0,0]=4 134 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [0,0,1,0,0,0|3,0,0]=4 135 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [0,0,1,0,0,0|3,0,0]=4 136 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [0,0,1,0,0,0|3,0,0]=4 137 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [0,0,1,0,0,0|3,0,0]=4 138 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [0,0,1,0,0,0|3,0,0]=4 139 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [0,0,1,0,0,0|3,0,0]=4 140 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [0,0,1,0,0,0|3,0,0]=4 141 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [0,0,1,0,0,0|3,0,0]=4 142 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [0,0,1,0,0,0|3,0,0]=4 143 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [0,0,1,0,0,0|3,0,0]=4 144 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [0,0,1,0,0,0|3,0,0]=4 145 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [0,0,1,0,0,0|3,0,0]=4 146 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [0,0,1,0,0,0|3,0,0]=4 147 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [0,0,1,0,0,0|3,0,0]=4 148 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [0,0,1,0,0,0|3,0,0]=4 149 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [0,0,1,0,0,0|3,0,0]=4 150 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [0,0,1,0,0,0|3,0,0]=4 151 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [0,0,1,0,0,0|3,0,0]=4 152 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [0,0,1,0,0,0|3,0,0]=4 153 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [0,0,1,0,0,0|3,0,0]=4 154 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [0,0,1,0,0,0|3,0,0]=4 155 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [0,0,1,0,0,0|3,0,0]=4 156 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [0,0,1,0,0,0|3,0,0]=4 157 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [0,0,1,0,0,0|3,0,0]=4 158 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [0,0,1,0,0,0|3,0,0]=4 159 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [0,0,1,0,0,0|3,0,0]=4 160 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [0,0,1,0,0,0|3,0,0]=4 161 B7R0.3 COC(C)SCC=O 62a_100009879195_200015260668 [0,0,1,0,0,0|3,0,0]=4 162 B7R0.3 COC(C)SCC=O 62a_200015260668_100009879195 [0,0,1,0,0,0|3,0,0]=4 163 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [0,0,1,0,0,0|2,0,1]=4 164 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [0,0,1,0,0,0|1,0,2]=4 165 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [0,0,1,0,0,0|3,0,0]=4 166 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [0,0,1,0,0,0|2,0,1]=4 167 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [0,0,1,0,0,0|1,0,2]=4 168 B7R0.3 C[C@H](CO)NCC=O 2230a_100000737577_200015260668 [0,0,1,0,0,0|1,0,2]=4 169 B7R0.3 C[C@H](CO)SCC=O 62a_100016084084_200015260668 [0,0,1,0,0,0|1,0,2]=4 170 B7R0.3 C[C@H](CO)SCC=O 62a_200015260668_100016084084 [0,0,1,0,0,0|1,0,2]=4 171 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [0,0,1,0,0,0|1,0,2]=4 172 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [0,0,1,0,0,0|1,0,2]=4 173 B7R0.10 C#CC(=O)C(C)CC 1458a_100000211873_100000758301 [0,0,1,0,0,0|1,0,1]=3 174 B7R0.10 C#CC(C)C(=O)C=C 1458a_100000185746_200000035995 [0,0,1,0,0,0|1,0,2]=4 175 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [0,0,1,0,0,0|1,0,1]=3 176 B7R0.10 C/C=C(\C)/C(=O)CF 1458a_100020587367_100015361967 [0,0,1,0,0,0|2,0,1]=4 177 B7R0.10 C/C=C(\C)/C(=O)NC 11a_106832991635_100020587367 [0,0,1,0,0,0|2,0,1]=4 178 B7R0.10 C/C=C(\C)/C(=O)NC 1626a_100102657272_100020587367 [0,0,1,0,0,0|2,0,1]=4 179 B7R0.10 C/C=C(\C)/C(C)NC 269862a_106832991636_100020675665 [0,0,1,0,0,0|3,0,0]=4 180 B7R0.10 C=CC(=O)C(C)C#N 1458a_100000185746_100000703298 [0,0,1,0,0,0|2,0,1]=4 181 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [0,0,1,0,0,0|1,0,0]=2 182 B7R0.10 C=CC(=O)N(C)CC 1626a_100000225621_100000185746 [0,0,1,0,0,0|2,0,0]=3 183 B7R0.10 C=CC(=O)N(C)CC 240690a_100000225621_200121576911 [0,0,1,0,0,0|2,0,0]=3 184 B7R0.10 CC(O[13CH3])C(=O)NN 34a_100000725659_200025704644 [0,0,1,0,0,0|3,0,0]=4 185 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [0,0,1,0,0,0|1,0,0]=2 186 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [0,0,1,0,0,0|1,0,1]=3 187 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [0,0,1,0,0,0|1,0,1]=3 188 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [0,0,1,0,0,0|2,0,1]=4 189 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [0,0,1,0,0,0|2,0,1]=4 190 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [0,0,1,0,0,0|2,0,1]=4 191 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [0,0,1,0,0,0|2,0,1]=4 192 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [0,0,1,0,0,0|2,0,1]=4 193 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [0,0,1,0,0,0|2,0,1]=4 194 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [0,0,1,0,0,0|2,0,1]=4 195 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [0,0,1,0,0,0|2,0,1]=4 196 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [0,0,1,0,0,0|0,0,2]=3 197 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [0,0,1,0,0,0|1,0,2]=4 198 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [0,0,1,0,0,0|2,0,0]=3 199 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [0,0,1,0,0,0|2,0,0]=3 200 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [0,0,1,0,0,0|2,0,0]=3 201 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [0,0,1,0,0,0|2,0,0]=3 202 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [0,0,1,0,0,0|1,0,1]=3 203 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [0,0,1,0,0,0|0,0,2]=3 204 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [0,0,1,0,0,0|2,0,0]=3 205 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [0,0,1,0,0,0|2,0,0]=3 206 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [0,0,1,0,0,0|2,0,0]=3 207 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [0,0,1,0,0,0|2,0,0]=3 208 B7R0.10 CCC(O)C(=O)CF 1458a_100011196387_100015361967 [0,0,1,0,0,0|1,0,2]=4 209 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [0,0,1,0,0,0|1,0,2]=4 210 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [0,0,1,0,0,0|1,0,2]=4 211 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [0,0,1,0,0,0|1,0,2]=4 212 B7R0.10 CCN(C)C(=O)NC 2708a_100102657272_100000225621 [0,0,1,0,0,0|3,0,0]=4 213 B7R0.10 CCN(C)C(=O)NC 273464a_100102657272_100000225621 [0,0,1,0,0,0|3,0,0]=4 214 B7R0.10 CNC(=O)C(=O)CF 1458a_100011218921_100015361967 [0,0,1,0,0,0|2,0,0]=3 215 B7R0.10 CNC(=O)C(=O)NC 1626a_100102657272_100011218921 [0,0,1,0,0,0|2,0,0]=3 216 B7R0.10 CNC(=O)C(=O)NC 240690a_100102657272_100011218921 [0,0,1,0,0,0|2,0,0]=3 217 B7R0.10 CNC(=O)C(=O)NC 527a_100102657272_100011218921 [0,0,1,0,0,0|2,0,0]=3 218 B7R0.10 CNC(=O)C(=O)OC 11a_106832991635_100000024059 [0,0,1,0,0,0|2,0,0]=3 219 B7R0.10 CNC(=O)C(=O)OC 1626a_100102657272_100000024059 [0,0,1,0,0,0|2,0,0]=3 220 B7R0.10 CNC(=O)C(=O)OC 240690a_100102657272_100000024059 [0,0,1,0,0,0|2,0,0]=3 221 B7R0.10 CNC(=O)C(=O)OC 527a_100102657272_100000024059 [0,0,1,0,0,0|2,0,0]=3 222 B7R0.10 CNC(=O)C(C)NC 2230a_106832991635_100000731044 [0,0,1,0,0,0|3,0,0]=4 223 B7R0.10 CNC(=O)C(C)NC 34a_100102657272_100000731044 [0,0,1,0,0,0|3,0,0]=4 224 B7R0.10 CNC(=O)C(C)NC 7a_106832991635_100000209862 [0,0,1,0,0,0|3,0,0]=4 225 B7R0.10 CNC(=O)C(C)OC 11a_106832991635_100000743197 [0,0,1,0,0,0|3,0,0]=4 226 B7R0.10 CNC(=O)C(C)OC 1626a_100102657272_100000743197 [0,0,1,0,0,0|3,0,0]=4 227 B7R0.10 CNC(=O)C(C)OC 240690a_100102657272_100000743197 [0,0,1,0,0,0|3,0,0]=4 228 B7R0.10 CNC(=O)C(C)OC 34a_100138415774_100000731044 [0,0,1,0,0,0|3,0,0]=4 229 B7R0.10 CNC(=O)C(C)OC 527a_100102657272_100000743197 [0,0,1,0,0,0|3,0,0]=4 230 B7R0.10 CNC(=O)C(C)SC 11a_106832991635_100000149566 [0,0,1,0,0,0|3,0,0]=4 231 B7R0.10 CNC(=O)C(C)SC 1626a_100102657272_100000149566 [0,0,1,0,0,0|3,0,0]=4 232 B7R0.10 CNC(=O)C(C)SC 240690a_100102657272_100000149566 [0,0,1,0,0,0|3,0,0]=4 233 B7R0.10 CNC(=O)C(C)SC 527a_100102657272_100000149566 [0,0,1,0,0,0|3,0,0]=4 234 B7R0.10 CNC(=O)C(C)SC 62a_100000209862_200000210301 [0,0,1,0,0,0|3,0,0]=4 235 B7R0.10 CNC(=O)C(C)SC 62a_200000210301_100000731044 [0,0,1,0,0,0|3,0,0]=4 236 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_100000209862_200025704644 [0,0,1,0,0,0|3,0,0]=4 237 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_200025704644_100000731044 [0,0,1,0,0,0|3,0,0]=4 238 B7R0.10 CNC(=O)[C@@H](C)NC 2230a_100000684985_200000210301 [0,0,1,0,0,0|3,0,0]=4 239 B7R0.10 CNC(=O)[C@@H](C)NC 34a_100000684985_200000210301 [0,0,1,0,0,0|3,0,0]=4 240 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 2230a_100000684985_200025704644 [0,0,1,0,0,0|3,0,0]=4 241 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 34a_100000684985_200025704644 [0,0,1,0,0,0|3,0,0]=4 242 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [0,0,1,0,0,0|3,0,0]=4 243 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [0,0,1,0,0,0|3,0,0]=4 244 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [0,0,1,0,0,0|3,0,0]=4 245 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [0,0,1,0,0,0|3,0,0]=4 246 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [0,0,1,0,0,0|3,0,0]=4 247 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [0,0,1,0,0,0|3,0,0]=4 248 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [0,0,1,0,0,0|3,0,0]=4 249 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [0,0,1,0,0,0|3,0,0]=4 250 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [0,0,1,0,0,0|3,0,0]=4 251 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [0,0,1,0,0,0|3,0,0]=4 252 B7R0.10 COC(C)C(=O)CF 1458a_100000743197_100015361967 [0,0,1,0,0,0|2,0,1]=4 253 B7R0.10 COC(C)C(=O)NN 34a_100000725659_200000210301 [0,0,1,0,0,0|3,0,0]=4 254 B7R0.10 CSC(C)C(=O)CF 1458a_100000149566_100015361967 [0,0,1,0,0,0|2,0,1]=4 255 B7R0.16 C=C(Br)C(=O)N(C)C 11a_100102631434_100009813364 [0,0,1,0,0,0|2,0,1]=4 256 B7R0.16 C=C(Br)C(=O)N(C)C 1626a_100102631434_100009813364 [0,0,1,0,0,0|2,0,1]=4 257 B7R0.16 C=C(C)C(=O)C(C)C 1458a_100000185857_100000210206 [0,0,1,0,0,0|1,0,0]=2 258 B7R0.16 C=C(C)C(=O)N(C)C 11a_100102631434_100000185857 [0,0,1,0,0,0|2,0,0]=3 259 B7R0.16 C=C(C)C(=O)N(C)C 1626a_100102631434_100000185857 [0,0,1,0,0,0|2,0,0]=3 260 B7R0.16 C=C(Cl)C(=O)N(C)C 11a_100102631434_100000039160 [0,0,1,0,0,0|2,0,1]=4 261 B7R0.16 C=C(Cl)C(=O)N(C)C 1626a_100102631434_100000039160 [0,0,1,0,0,0|2,0,1]=4 262 B7R0.16 C=C(F)C(=O)N(C)C 11a_100102631434_100000036797 [0,0,1,0,0,0|2,0,1]=4 263 B7R0.16 C=C(F)C(=O)N(C)C 1626a_100102631434_100000036797 [0,0,1,0,0,0|2,0,1]=4 264 B7R0.16 CC(=O)C(=O)N(C)C 1458a_100011218876_200000210301 [0,0,1,0,0,0|1,0,0]=2 265 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [0,0,1,0,0,0|1,0,1]=3 266 B7R0.16 CC(=O)C(C)N(C)C 2230a_100102631434_100009814033 [0,0,1,0,0,0|2,0,1]=4 267 B7R0.16 CC(=O)C(C)N(C)C 269982a_100102631434_100009814033 [0,0,1,0,0,0|2,0,1]=4 268 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [0,0,1,0,0,0|2,0,0]=3 269 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [0,0,1,0,0,0|2,0,0]=3 270 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [0,0,1,0,0,0|2,0,0]=3 271 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [0,0,1,0,0,0|2,0,0]=3 272 B7R0.16 CC(=O)[C@H](C)N(C)C 1458a_100009822176_200000210301 [0,0,1,0,0,0|2,0,1]=4 273 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [0,0,1,0,0,0|0,0,2]=3 274 B7R0.16 CC(C)C(=O)C(C)C 1458a_100000210198_100000210206 [0,0,1,0,0,0|1,0,1]=3 275 B7R0.16 CC(C)C(=O)C(C)F 1458a_100000062450_100000210206 [0,0,1,0,0,0|1,0,1]=3 276 B7R0.16 CC(C)C(=O)C(O)O 1458a_100000233687_100000210206 [0,0,1,0,0,0|1,0,2]=4 277 B7R0.16 CC(C)C(=O)N(C)C 11a_100102631434_100000210198 [0,0,1,0,0,0|2,0,0]=3 278 B7R0.16 CC(C)C(=O)N(C)C 1626a_100102631434_100000210198 [0,0,1,0,0,0|2,0,0]=3 279 B7R0.16 CC(C)C(=O)N(C)C 240690a_100102631434_100000210198 [0,0,1,0,0,0|2,0,0]=3 280 B7R0.16 CC(C)C(=O)N(C)C 527a_100102631434_100000210198 [0,0,1,0,0,0|2,0,0]=3 281 B7R0.16 CC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000210206 [0,0,1,0,0,0|0,0,2]=3 282 B7R0.16 CC(C)C(=O)[C@H](C)O 1458a_217856618621_100000210206 [0,0,1,0,0,0|0,0,2]=3 283 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [0,0,1,0,0,0|1,0,1]=3 284 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [0,0,1,0,0,0|0,0,2]=3 285 B7R0.16 CC(F)C(=O)N(C)C 11a_100102631434_100000062450 [0,0,1,0,0,0|2,0,1]=4 286 B7R0.16 CC(F)C(=O)N(C)C 1626a_100102631434_100000062450 [0,0,1,0,0,0|2,0,1]=4 287 B7R0.16 CC(F)C(=O)N(C)C 240690a_100102631434_100000062450 [0,0,1,0,0,0|2,0,1]=4 288 B7R0.16 CC(F)C(=O)N(C)C 527a_100102631434_100000062450 [0,0,1,0,0,0|2,0,1]=4 289 B7R0.16 CN(C)C(=O)C(=O)N 240690a_100102631434_100011215815 [0,0,1,0,0,0|2,0,0]=3 290 B7R0.16 CN(C)C(=O)C(=O)[13CH3] 1458a_100011218876_200025704644 [0,0,1,0,0,0|1,0,0]=2 291 B7R0.16 C[C@@H](C(=O)[13CH3])N(C)C 1458a_100009822176_200025704644 [0,0,1,0,0,0|2,0,1]=4 292 B7R0.16 C[C@@H](O)C(=O)N(C)C 240690a_100102631434_100000717761 [0,0,1,0,0,0|1,0,2]=4 293 B7R0.16 C[C@H](O)C(=O)N(C)C 1626a_100102631434_217856618621 [0,0,1,0,0,0|1,0,2]=4 294 B7R0.16 C[C@H](O)C(=O)N(C)C 240690a_100102631434_217856618621 [0,0,1,0,0,0|1,0,2]=4 295 B9R1.3 CC1C(=O)NCCN1C 2230a_100000750721_200000210301 [0,0,0,0,0,1|2,0,1]=4 296 B9R1.3 CC1C(=O)NCCN1C 269982a_100000750721_200000210301 [0,0,0,0,0,1|2,0,1]=4 297 B9R1.3 CC1C(=O)NCCN1C 34a_100000750721_200000210301 [0,0,0,0,0,1|2,0,1]=4 298 B9R1.3 CC1C(=O)NCCN1[13CH3] 2230a_100000750721_200025704644 [0,0,0,0,0,1|2,0,1]=4 299 B9R1.3 CC1C(=O)NCCN1[13CH3] 269982a_100000750721_200025704644 [0,0,0,0,0,1|2,0,1]=4 300 B9R1.3 CC1C(=O)NCCN1[13CH3] 34a_100000750721_200025704644 [0,0,0,0,0,1|2,0,1]=4 301 B9R1.69 CN1CCN(C(=O)C1)C 2230a_100000187256_200000210301 [0,0,0,0,0,1|3,0,0]=4 302 B9R1.69 CN1CCN(C(=O)C1)C 269982a_100000187256_200000210301 [0,0,0,0,0,1|3,0,0]=4 303 B9R1.69 CN1CCN(CC1=O)[13CH3] 2230a_100000187256_200025704644 [0,0,0,0,0,1|3,0,0]=4 304 B9R1.69 CN1CCN(CC1=O)[13CH3] 269982a_100000187256_200025704644 [0,0,0,0,0,1|3,0,0]=4 305 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [1,0,1,0,0,0|1,0,1]=4 306 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [1,0,1,0,0,0|2,0,0]=4 307 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [1,0,1,0,0,0|2,0,0]=4 308 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [1,0,1,0,0,0|1,0,0]=3 309 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [1,0,1,0,0,0|2,0,0]=4 310 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [1,0,1,0,0,0|2,0,0]=4 311 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [1,0,1,0,0,0|2,0,0]=4 312 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [1,0,1,0,0,0|0,0,2]=4 313 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [1,0,1,0,0,0|0,0,1]=3 314 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [1,0,1,0,0,0|1,0,1]=4 315 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [1,0,1,0,0,0|1,0,1]=4 316 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [1,0,1,0,0,0|1,0,1]=4 317 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [1,0,1,0,0,0|1,0,1]=4 318 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [1,0,1,0,0,0|1,0,1]=4 319 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [1,0,1,0,0,0|1,0,1]=4 320 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [1,0,1,0,0,0|1,0,1]=4 321 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [1,0,1,0,0,0|1,0,1]=4 322 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [1,0,1,0,0,0|1,0,1]=4 323 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [1,0,1,0,0,0|1,0,1]=4 324 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [1,0,1,0,0,0|1,0,1]=4 325 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [1,0,1,0,0,0|1,0,1]=4 326 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [1,0,1,0,0,0|1,0,1]=4 327 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [1,0,1,0,0,0|1,0,1]=4 328 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [1,0,1,0,0,0|1,0,1]=4 329 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [1,0,1,0,0,0|1,0,1]=4 330 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [1,0,1,0,0,0|1,0,1]=4 331 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [1,0,1,0,0,0|1,0,1]=4 332 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [1,0,1,0,0,0|1,0,1]=4 333 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [1,0,1,0,0,0|2,0,0]=4 334 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [1,0,1,0,0,0|0,0,1]=3 335 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [1,0,1,0,0,0|0,0,1]=3 336 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [1,0,1,0,0,0|1,0,1]=4 337 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [1,0,1,0,0,0|0,0,2]=4 338 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [1,0,1,0,0,0|1,0,1]=4 339 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [1,0,1,0,0,0|1,0,1]=4 340 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [1,0,1,0,0,0|1,0,1]=4 341 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [1,0,1,0,0,0|1,0,1]=4 342 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [1,0,1,0,0,0|1,0,1]=4 343 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [1,0,1,0,0,0|1,0,1]=4 344 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [1,0,1,0,0,0|1,0,0]=3 345 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [1,0,1,0,0,0|1,0,0]=3 346 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [1,0,1,0,0,0|1,0,0]=3 347 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [1,0,1,0,0,0|2,0,0]=4 348 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [1,0,1,0,0,0|2,0,0]=4 349 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [1,0,1,0,0,0|2,0,0]=4 350 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [1,0,1,0,0,0|2,0,0]=4 351 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [1,0,1,0,0,0|2,0,0]=4 352 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [1,0,1,0,0,0|2,0,0]=4 353 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [1,0,1,0,0,0|2,0,0]=4 354 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [1,0,1,0,0,0|2,0,0]=4 355 B6R0.4 C=C(Br)CCOC 34a_100009813270_200000210301 [1,0,1,0,0,0|2,0,0]=4 356 B6R0.4 C=C(Br)CCO[13CH3] 34a_100009813270_200025704644 [1,0,1,0,0,0|2,0,0]=4 357 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [1,0,1,0,0,0|2,0,0]=4 358 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [1,0,1,0,0,0|2,0,0]=4 359 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [1,0,1,0,0,0|2,0,0]=4 360 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [1,0,1,0,0,0|2,0,0]=4 361 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [1,0,1,0,0,0|2,0,0]=4 362 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [1,0,1,0,0,0|2,0,0]=4 363 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [1,0,1,0,0,0|2,0,0]=4 364 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [1,0,1,0,0,0|2,0,0]=4 365 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [1,0,1,0,0,0|2,0,0]=4 366 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [1,0,1,0,0,0|2,0,0]=4 367 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [1,0,1,0,0,0|2,0,0]=4 368 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [1,0,1,0,0,0|2,0,0]=4 369 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [1,0,1,0,0,0|2,0,0]=4 370 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [1,0,1,0,0,0|2,0,0]=4 371 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [1,0,1,0,0,0|2,0,0]=4 372 B6R0.4 C=C(F)CNCC 2230a_100015525214_100009893438 [1,0,1,0,0,0|2,0,0]=4 373 B6R0.4 C=C(F)COCC 34a_100121572206_100009893438 [1,0,1,0,0,0|2,0,0]=4 374 B6R0.4 C=C(F)COCC 34a_200010262243_100000210202 [1,0,1,0,0,0|2,0,0]=4 375 B6R0.4 C=C(F)CSCC 62a_100000042424_100000210202 [1,0,1,0,0,0|2,0,0]=4 376 B6R0.4 C=C(F)CSCC 62a_100000210202_100000042424 [1,0,1,0,0,0|2,0,0]=4 377 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [1,0,1,0,0,0|1,0,1]=4 378 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [1,0,1,0,0,0|1,0,1]=4 379 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [1,0,1,0,0,0|1,0,1]=4 380 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [1,0,1,0,0,0|1,0,1]=4 381 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,0,1,0,0,0|1,0,1]=4 382 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,0,1,0,0,0|1,0,1]=4 383 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,0,1,0,0,0|1,0,1]=4 384 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,0,1,0,0,0|1,0,1]=4 385 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,0,1,0,0,0|1,0,1]=4 386 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [1,0,1,0,0,0|1,0,1]=4 387 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [1,0,1,0,0,0|1,0,1]=4 388 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [1,0,1,0,0,0|1,0,1]=4 389 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [1,0,1,0,0,0|1,0,1]=4 390 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [1,0,1,0,0,0|1,0,1]=4 391 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,0,1,0,0,0|0,0,1]=3 392 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,0,1,0,0,0|0,0,1]=3 393 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,0,1,0,0,0|0,0,1]=3 394 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,0,1,0,0,0|1,0,1]=4 395 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,0,1,0,0,0|1,0,1]=4 396 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,0,1,0,0,0|1,0,1]=4 397 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,0,1,0,0,0|1,0,1]=4 398 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [1,0,1,0,0,0|2,0,0]=4 399 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [1,0,1,0,0,0|2,0,0]=4 400 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,0,1,0,0,0|1,0,1]=4 401 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,0,1,0,0,0|1,0,1]=4 402 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,0,1,0,0,0|1,0,1]=4 403 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [1,0,1,0,0,0|2,0,0]=4 404 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,0,1,0,0,0|1,0,1]=4 405 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [1,0,1,0,0,0|1,0,1]=4 406 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,0,1,0,0,0|1,0,1]=4 407 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [1,0,1,0,0,0|2,0,0]=4 408 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [1,0,1,0,0,0|2,0,0]=4 409 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,0,1,0,0,0|1,0,1]=4 410 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [1,0,1,0,0,0|1,0,1]=4 411 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [1,0,1,0,0,0|1,0,1]=4 412 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,0,1,0,0,0|1,0,1]=4 413 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [1,0,1,0,0,0|2,0,0]=4 414 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [1,0,1,0,0,0|2,0,0]=4 415 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [1,0,1,0,0,0|2,0,0]=4 416 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,0,1,0,0,0|1,0,1]=4 417 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,0,1,0,0,0|1,0,1]=4 418 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,0,1,0,0,0|1,0,1]=4 419 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,0,1,0,0,0|1,0,1]=4 420 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [1,0,1,0,0,0|2,0,0]=4 421 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [1,0,1,0,0,0|2,0,0]=4 422 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [1,0,1,0,0,0|2,0,0]=4 423 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,0,1,0,0,0|1,0,1]=4 424 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,0,1,0,0,0|1,0,1]=4 425 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,0,1,0,0,0|1,0,1]=4 426 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,0,1,0,0,0|1,0,1]=4 427 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,0,1,0,0,0|1,0,1]=4 428 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [1,0,1,0,0,0|2,0,0]=4 429 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [1,0,1,0,0,0|2,0,0]=4 430 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,0,1,0,0,0|1,0,1]=4 431 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [1,0,1,0,0,0|2,0,0]=4 432 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [1,0,1,0,0,0|2,0,0]=4 433 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [1,0,1,0,0,0|2,0,0]=4 434 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [1,0,1,0,0,0|2,0,0]=4 435 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [1,0,1,0,0,0|2,0,0]=4 436 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [1,0,1,0,0,0|2,0,0]=4 437 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [1,0,1,0,0,0|2,0,0]=4 438 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [1,0,1,0,0,0|2,0,0]=4 439 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [1,0,1,0,0,0|2,0,0]=4 440 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [1,0,1,0,0,0|2,0,0]=4 441 B6R0.6 C=CCNCC=O 2230a_100020586998_200015260668 [1,0,1,0,0,0|2,0,0]=4 442 B6R0.6 C=CCOCC=O 34a_200000210373_200009817547 [1,0,1,0,0,0|2,0,0]=4 443 B6R0.6 C=CCSCC=O 62a_100000210623_200015260668 [1,0,1,0,0,0|2,0,0]=4 444 B6R0.6 C=CCSCC=O 62a_200015260668_100000210623 [1,0,1,0,0,0|2,0,0]=4 445 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [1,0,1,0,0,0|2,0,0]=4 446 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [1,0,1,0,0,0|2,0,0]=4 447 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [1,0,1,0,0,0|2,0,0]=4 448 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [1,0,1,0,0,0|2,0,0]=4 449 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [1,0,1,0,0,0|1,0,1]=4 450 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [1,0,1,0,0,0|1,0,1]=4 451 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [1,0,1,0,0,0|1,0,1]=4 452 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [1,0,1,0,0,0|1,0,1]=4 453 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [1,0,1,0,0,0|1,0,1]=4 454 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [1,0,1,0,0,0|1,0,1]=4 455 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [1,0,1,0,0,0|1,0,1]=4 456 B6R0.6 O=CCSCC=O 62a_200015260668_200015260668 [1,0,1,0,0,0|1,0,0]=3 457 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [1,0,1,0,0,0|1,0,1]=4 458 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [1,0,1,0,0,0|1,0,1]=4 459 B6R0.3 C#CC(=O)C(C)C 1458a_100000211873_100000210206 [1,0,1,0,0,0|0,0,2]=4 460 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [1,0,1,0,0,0|1,0,1]=4 461 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [1,0,1,0,0,0|1,0,1]=4 462 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [1,0,1,0,0,0|1,0,0]=3 463 B6R0.3 C=C(C)C(=O)CF 1458a_100000185857_100015361967 [1,0,1,0,0,0|2,0,0]=4 464 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [1,0,1,0,0,0|2,0,0]=4 465 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [1,0,1,0,0,0|2,0,0]=4 466 B6R0.3 C=C(C)C(C)NC 269862a_106832991636_100011216138 [1,0,1,0,0,0|2,0,0]=4 467 B6R0.3 C=CC(=O)C(C)C 1458a_100000185746_100000210206 [1,0,1,0,0,0|0,0,1]=3 468 B6R0.3 C=CC(=O)N(C)C 1626a_100102631434_100000185746 [1,0,1,0,0,0|1,0,1]=4 469 B6R0.3 C=CC(=O)N(C)C 240690a_100102631434_200121576911 [1,0,1,0,0,0|1,0,1]=4 470 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [1,0,1,0,0,0|1,0,1]=4 471 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [1,0,1,0,0,0|1,0,1]=4 472 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [1,0,1,0,0,0|1,0,1]=4 473 B6R0.3 CC(C)C(=O)CF 1458a_100000210198_100015361967 [1,0,1,0,0,0|1,0,1]=4 474 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [1,0,1,0,0,0|0,0,2]=4 475 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [1,0,1,0,0,0|2,0,0]=4 476 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [1,0,1,0,0,0|2,0,0]=4 477 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [1,0,1,0,0,0|0,0,1]=3 478 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [1,0,1,0,0,0|0,0,1]=3 479 B6R0.3 CCC(=O)C(C)F 1458a_100000062450_100000210202 [1,0,1,0,0,0|1,0,1]=4 480 B6R0.3 CCC(=O)N(C)C 11a_100102631434_100000210414 [1,0,1,0,0,0|1,0,1]=4 481 B6R0.3 CCC(=O)N(C)C 1626a_100102631434_100000210414 [1,0,1,0,0,0|1,0,1]=4 482 B6R0.3 CCC(=O)N(C)C 240690a_100102631434_100000210414 [1,0,1,0,0,0|1,0,1]=4 483 B6R0.3 CCC(=O)N(C)C 527a_100102631434_100000210414 [1,0,1,0,0,0|1,0,1]=4 484 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [1,0,1,0,0,0|0,0,2]=4 485 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [1,0,1,0,0,0|0,0,2]=4 486 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [1,0,1,0,0,0|0,0,1]=3 487 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [1,0,1,0,0,0|0,0,1]=3 488 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [1,0,1,0,0,0|0,0,1]=3 489 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [1,0,1,0,0,0|0,0,2]=4 490 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [1,0,1,0,0,0|0,0,2]=4 491 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [1,0,1,0,0,0|1,0,1]=4 492 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [1,0,1,0,0,0|1,0,1]=4 493 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [1,0,1,0,0,0|1,0,1]=4 494 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [1,0,1,0,0,0|1,0,1]=4 495 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [1,0,1,0,0,0|1,0,0]=3 496 B6R0.3 CNC(=O)C(=O)N 240690a_100102657272_100011215815 [1,0,1,0,0,0|2,0,0]=4 497 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [1,0,1,0,0,0|1,0,0]=3 498 B6R0.3 CNC(=O)C(C)C 11a_106832991635_100000210198 [1,0,1,0,0,0|1,0,0]=3 499 B6R0.3 CNC(=O)C(C)C 1626a_100102657272_100000210198 [1,0,1,0,0,0|1,0,0]=3 500 B6R0.3 CNC(=O)C(C)C 240690a_100102657272_100000210198 [1,0,1,0,0,0|1,0,0]=3 501 B6R0.3 CNC(=O)C(C)C 527a_100102657272_100000210198 [1,0,1,0,0,0|1,0,0]=3 502 B6R0.3 CNC(=O)C(C)F 11a_106832991635_100000062450 [1,0,1,0,0,0|2,0,0]=4 503 B6R0.3 CNC(=O)C(C)F 1626a_100102657272_100000062450 [1,0,1,0,0,0|2,0,0]=4 504 B6R0.3 CNC(=O)C(C)F 240690a_100102657272_100000062450 [1,0,1,0,0,0|2,0,0]=4 505 B6R0.3 CNC(=O)C(C)F 527a_100102657272_100000062450 [1,0,1,0,0,0|2,0,0]=4 506 B6R0.3 CNC(=O)N(C)C 2708a_100102657272_100102631434 [1,0,1,0,0,0|2,0,0]=4 507 B6R0.3 CNC(=O)[C@@H](C)O 240690a_100102657272_100000717761 [1,0,1,0,0,0|2,0,0]=4 508 B6R0.3 CNC(=O)[C@H](C)O 1626a_100102657272_217856618621 [1,0,1,0,0,0|2,0,0]=4 509 B6R0.3 CNC(=O)[C@H](C)O 240690a_100102657272_217856618621 [1,0,1,0,0,0|2,0,0]=4 510 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [1,0,1,0,0,0|1,0,1]=4 511 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [1,0,1,0,0,0|1,0,1]=4 512 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [1,0,1,0,0,0|2,0,0]=4 513 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [1,0,1,0,0,0|2,0,0]=4 514 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [1,0,1,0,0,0|2,0,0]=4 515 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [1,0,1,0,0,0|1,0,1]=4 516 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [1,0,1,0,0,0|2,0,0]=4 517 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [1,0,1,0,0,0|2,0,0]=4 518 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [1,0,1,0,0,0|1,0,1]=4 519 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [1,0,1,0,0,0|1,0,1]=4 520 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [1,0,1,0,0,0|2,0,0]=4 521 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [1,0,1,0,0,0|1,0,1]=4 522 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [1,0,1,0,0,0|1,0,1]=4 523 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [1,0,1,0,0,0|2,0,0]=4 524 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [1,0,1,0,0,0|2,0,0]=4 525 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [1,0,1,0,0,0|1,0,1]=4 526 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [1,0,1,0,0,0|1,0,1]=4 527 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [1,0,1,0,0,0|1,0,1]=4 528 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [1,0,1,0,0,0|2,0,0]=4 529 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [1,0,1,0,0,0|2,0,0]=4 530 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [1,0,1,0,0,0|1,0,1]=4 531 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [1,0,1,0,0,0|2,0,0]=4 532 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [1,0,1,0,0,0|2,0,0]=4 533 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [1,0,1,0,0,0|2,0,0]=4 534 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [1,0,1,0,0,0|2,0,0]=4 535 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [1,0,1,0,0,0|1,0,1]=4 536 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [1,0,1,0,0,0|1,0,1]=4 537 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [1,0,1,0,0,0|0,0,1]=3 538 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [1,0,1,0,0,0|1,0,1]=4 539 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [1,0,1,0,0,0|1,0,1]=4 540 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [1,0,1,0,0,0|0,0,1]=3 541 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [1,0,1,0,0,0|1,0,1]=4 542 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [1,0,1,0,0,0|1,0,1]=4 543 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [1,0,1,0,0,0|0,0,1]=3 544 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [1,0,1,0,0,0|0,0,1]=3 545 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [1,0,1,0,0,0|1,0,1]=4 546 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [1,0,1,0,0,0|1,0,1]=4 547 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [1,0,1,0,0,0|1,0,1]=4 548 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [1,0,1,0,0,0|1,0,1]=4 549 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [1,0,1,0,0,0|1,0,0]=3 550 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [1,0,1,0,0,0|1,0,0]=3 551 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [1,0,1,0,0,0|1,0,0]=3 552 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [1,0,1,0,0,0|1,0,0]=3 553 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [1,0,1,0,0,0|0,0,1]=3 554 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [1,0,1,0,0,0|1,0,1]=4 555 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [1,0,1,0,0,0|1,0,1]=4 556 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [1,0,1,0,0,0|1,0,1]=4 557 B8R0.1 C#CCC(=O)CCCC 1458a_100000210183_100000184674 [0,1,1,0,0,0|1,0,1]=4 558 B8R0.1 C#CCC(=O)CCCC 1458a_100011220946_100000210211 [0,1,1,0,0,0|1,0,1]=4 559 B8R0.1 C/C=C/C(C)OCC=O 34a_200102604097_200009817547 [0,1,1,0,0,0|2,0,0]=4 560 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [0,1,1,0,0,0|1,0,0]=3 561 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [0,1,1,0,0,0|1,0,0]=3 562 B8R0.1 C=CCC(=O)CCCF 1458a_100000210193_100011934791 [0,1,1,0,0,0|2,0,0]=4 563 B8R0.1 C=CCC(=O)CCCO 1458a_100000210193_100011215043 [0,1,1,0,0,0|2,0,0]=4 564 B8R0.1 C=CCC(=O)CCOC 1458a_100000210193_100000233755 [0,1,1,0,0,0|2,0,0]=4 565 B8R0.1 C=CCC(=O)CCOC 1458a_100000749529_100000210623 [0,1,1,0,0,0|2,0,0]=4 566 B8R0.1 C=CCC(=O)CCSC 1458a_100000174002_100000210623 [0,1,1,0,0,0|2,0,0]=4 567 B8R0.1 C=CCC(=O)CCSC 1458a_100000210193_100000751147 [0,1,1,0,0,0|2,0,0]=4 568 B8R0.1 C=CCC(=O)COCC 1458a_100000211967_100000210623 [0,1,1,0,0,0|2,0,0]=4 569 B8R0.1 C=CCC(=O)CSCC 1458a_100000230394_100000210623 [0,1,1,0,0,0|2,0,0]=4 570 B8R0.1 C=CCC(=O)NCCC 11a_100020643023_100000210193 [0,1,1,0,0,0|2,0,0]=4 571 B8R0.1 C=CCC(=O)NCCC 1626a_100020643023_100000210193 [0,1,1,0,0,0|2,0,0]=4 572 B8R0.1 C=CCC(=O)NCCC 240690a_100020643023_100000210193 [0,1,1,0,0,0|2,0,0]=4 573 B8R0.1 C=CCC(=O)NCCC 527a_100020643023_100000210193 [0,1,1,0,0,0|2,0,0]=4 574 B8R0.1 C=CCCN(C)CC=O 2230a_100020639649_200015260668 [0,1,1,0,0,0|2,0,0]=4 575 B8R0.1 C=CCCN(C)CC=O 269982a_100020639649_200015260668 [0,1,1,0,0,0|2,0,0]=4 576 B8R0.1 C=CC[C@@H](C)OCC=O 34a_100000731007_200009817547 [0,1,1,0,0,0|2,0,0]=4 577 B8R0.1 C=CC[C@@H](C)OCC=O 7a_100000731007_200015260668 [0,1,1,0,0,0|2,0,0]=4 578 B8R0.1 C=COC(=O)CNCC 2230a_100015525214_100000036128 [0,1,1,0,0,0|2,0,0]=4 579 B8R0.1 C=COC(=O)COCC 34a_100121572206_100000036128 [0,1,1,0,0,0|2,0,0]=4 580 B8R0.1 C=COC(=O)CSCC 62a_100000036128_100000210202 [0,1,1,0,0,0|2,0,0]=4 581 B8R0.1 C=COC(=O)CSCC 62a_100000210202_100000036128 [0,1,1,0,0,0|2,0,0]=4 582 B8R0.1 CC#CC(=O)CCCC 1458a_100000763181_100000210211 [0,1,1,0,0,0|1,0,1]=4 583 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [0,1,1,0,0,0|1,0,0]=3 584 B8R0.1 CC=CC(=O)CCCF 1458a_100000210699_100011934791 [0,1,1,0,0,0|2,0,0]=4 585 B8R0.1 CC=CC(=O)CCCO 1458a_100000210699_100011215043 [0,1,1,0,0,0|2,0,0]=4 586 B8R0.1 CC=CC(=O)CCOC 1458a_100000210699_100000233755 [0,1,1,0,0,0|2,0,0]=4 587 B8R0.1 CC=CC(=O)CCSC 1458a_100000210699_100000751147 [0,1,1,0,0,0|2,0,0]=4 588 B8R0.1 CC=CC(=O)NCCC 11a_100020643023_100000210699 [0,1,1,0,0,0|2,0,0]=4 589 B8R0.1 CC=CC(=O)NCCC 1626a_100020643023_100000210699 [0,1,1,0,0,0|2,0,0]=4 590 B8R0.1 CC=CC(=O)NCCC 240690a_100020643023_100000210699 [0,1,1,0,0,0|2,0,0]=4 591 B8R0.1 CCCCC(=O)C=CBr 1458a_100016273825_100000210211 [0,1,1,0,0,0|1,0,0]=3 592 B8R0.1 CCCCC(=O)C=CCl 1458a_200016279998_100000210211 [0,1,1,0,0,0|1,0,0]=3 593 B8R0.1 CCCCC(=O)C=CI 1458a_100016256311_100000210211 [0,1,1,0,0,0|1,0,0]=3 594 B8R0.1 CCCCC(=O)CC#N 1458a_100000210183_100011214920 [0,1,1,0,0,0|1,0,1]=4 595 B8R0.1 CCCCC(=O)CC#N 1458a_100051588842_100000210211 [0,1,1,0,0,0|1,0,1]=4 596 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [0,1,1,0,0,0|1,0,1]=4 597 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [0,1,1,0,0,0|1,0,1]=4 598 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [0,1,1,0,0,0|1,0,1]=4 599 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [0,1,1,0,0,0|0,0,2]=4 600 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [0,1,1,0,0,0|0,0,2]=4 601 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [0,1,1,0,0,0|0,0,2]=4 602 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [0,1,1,0,0,0|0,1,1]=4 603 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [0,1,1,0,0,0|1,0,1]=4 604 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [0,1,1,0,0,0|1,0,1]=4 605 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [0,1,1,0,0,0|1,0,1]=4 606 B8R0.1 CCCCC(=O)NNC 22a_100016993582_100000210183 [0,1,1,0,0,0|2,0,0]=4 607 B8R0.1 CCCCN(C)CC=O 2230a_100000207549_200015260668 [0,1,1,0,0,0|2,0,0]=4 608 B8R0.1 CCCCN(C)CC=O 269982a_100000207549_200015260668 [0,1,1,0,0,0|2,0,0]=4 609 B8R0.1 CCCNC(=O)C=CBr 1626a_100020643023_100016273825 [0,1,1,0,0,0|2,0,0]=4 610 B8R0.1 CCCNC(=O)C=CBr 240690a_100020643023_100016273825 [0,1,1,0,0,0|2,0,0]=4 611 B8R0.1 CCCNC(=O)C=CCl 11a_100020643023_200016279998 [0,1,1,0,0,0|2,0,0]=4 612 B8R0.1 CCCNC(=O)C=CCl 1626a_100020643023_200016279998 [0,1,1,0,0,0|2,0,0]=4 613 B8R0.1 CCCNC(=O)C=CCl 240690a_100020643023_200016279998 [0,1,1,0,0,0|2,0,0]=4 614 B8R0.1 CCCNC(=O)C=CI 1626a_100020643023_100016256311 [0,1,1,0,0,0|2,0,0]=4 615 B8R0.1 COCCC(=O)C=CBr 1458a_100016273825_100000233755 [0,1,1,0,0,0|2,0,0]=4 616 B8R0.1 COCCC(=O)C=CCl 1458a_200016279998_100000233755 [0,1,1,0,0,0|2,0,0]=4 617 B8R0.1 COCCC(=O)C=CI 1458a_100016256311_100000233755 [0,1,1,0,0,0|2,0,0]=4 618 B8R0.1 CSCCC(=O)C=CBr 1458a_100016273825_100000751147 [0,1,1,0,0,0|2,0,0]=4 619 B8R0.1 CSCCC(=O)C=CCl 1458a_200016279998_100000751147 [0,1,1,0,0,0|2,0,0]=4 620 B8R0.1 CSCCC(=O)C=CI 1458a_100016256311_100000751147 [0,1,1,0,0,0|2,0,0]=4 621 B8R0.1 O=C(C=CBr)CCCF 1458a_100016273825_100011934791 [0,1,1,0,0,0|2,0,0]=4 622 B8R0.1 O=C(C=CBr)CCCO 1458a_100016273825_100011215043 [0,1,1,0,0,0|2,0,0]=4 623 B8R0.1 O=C(C=CCl)CCCF 1458a_200016279998_100011934791 [0,1,1,0,0,0|2,0,0]=4 624 B8R0.1 O=C(C=CCl)CCCO 1458a_200016279998_100011215043 [0,1,1,0,0,0|2,0,0]=4 625 B8R0.1 O=C(C=CI)CCCF 1458a_100016256311_100011934791 [0,1,1,0,0,0|2,0,0]=4 626 B8R0.1 O=C(C=CI)CCCO 1458a_100016256311_100011215043 [0,1,1,0,0,0|2,0,0]=4 627 B8R0.3 C#CC(=O)C(C)CCC 1458a_100000211873_100000766640 [0,1,1,0,0,0|1,0,1]=4 628 B8R0.3 C=CC(=O)C(C)CCC 1458a_100000185746_100000766640 [0,1,1,0,0,0|1,0,0]=3 629 B8R0.3 C=CC(=O)C(C)CCO 1458a_100000185746_100009893172 [0,1,1,0,0,0|2,0,0]=4 630 B8R0.3 C=CC(=O)C(C)COC 1458a_100000185746_100000765312 [0,1,1,0,0,0|2,0,0]=4 631 B8R0.3 C=CC(=O)N(C)CCC 1626a_100000747261_100000185746 [0,1,1,0,0,0|2,0,0]=4 632 B8R0.3 C=CC(=O)N(C)CCC 240690a_100000747261_200121576911 [0,1,1,0,0,0|2,0,0]=4 633 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [0,1,1,0,0,0|1,0,1]=4 634 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [0,1,1,0,0,0|1,0,1]=4 635 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [0,1,1,0,0,0|1,0,1]=4 636 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [0,1,1,0,0,0|0,0,2]=4 637 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [0,1,1,0,0,0|2,0,0]=4 638 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [0,1,1,0,0,0|2,0,0]=4 639 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [0,1,1,0,0,0|2,0,0]=4 640 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [0,1,1,0,0,0|2,0,0]=4 641 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [0,1,1,0,0,0|1,0,1]=4 642 B8R0.3 CCC[C@H](O)C(=O)CF 1458a_100009822183_100015361967 [0,1,1,0,0,0|1,0,1]=4 643 B8R0.3 CCC[C@H](O)C(=O)NC 240690a_100102657272_100009822183 [0,1,1,0,0,0|2,0,0]=4 644 B8R0.6 C#CC(=O)CCCCC 1458a_100000211873_100000210326 [0,1,1,0,0,0|1,0,1]=4 645 B8R0.6 C#CC(=O)CCCCF 1458a_100000211873_100000729493 [0,1,1,0,0,0|1,0,1]=4 646 B8R0.6 C#CC(=O)CCCCO 1458a_100000211873_100000210776 [0,1,1,0,0,0|1,0,1]=4 647 B8R0.6 C#CC(=O)CCCOC 1458a_100000211873_100000740836 [0,1,1,0,0,0|1,0,1]=4 648 B8R0.6 C#CC(=O)CCOCC 1458a_100000211873_100011215890 [0,1,1,0,0,0|1,0,1]=4 649 B8R0.6 C#CC(=O)CCSCC 1458a_100000211873_100000757381 [0,1,1,0,0,0|1,0,1]=4 650 B8R0.6 C#CCCCC(=O)C=C 1458a_100000185746_100000731252 [0,1,1,0,0,0|1,0,1]=4 651 B8R0.6 C=CC(=O)C/C=C\CC 1458a_100000185746_100103147603 [0,1,1,0,0,0|1,0,1]=4 652 B8R0.6 C=CC(=O)CC#CCC 1458a_100000185746_100009813939 [0,1,1,0,0,0|1,0,1]=4 653 B8R0.6 C=CC(=O)CCCC#N 1458a_100000185746_100000211468 [0,1,1,0,0,0|1,0,1]=4 654 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [0,1,1,0,0,0|1,0,0]=3 655 B8R0.6 C=CC(=O)CCCCF 1458a_100000185746_100000729493 [0,1,1,0,0,0|1,0,0]=3 656 B8R0.6 C=CC(=O)CCCCO 1458a_100000185746_100000210776 [0,1,1,0,0,0|1,0,0]=3 657 B8R0.6 C=CC(=O)CCCOC 1458a_100000185746_100000740836 [0,1,1,0,0,0|1,0,0]=3 658 B8R0.6 C=CC(=O)CCOCC 1458a_100000185746_100011215890 [0,1,1,0,0,0|1,0,0]=3 659 B8R0.6 C=CC(=O)CCSCC 1458a_100000185746_100000757381 [0,1,1,0,0,0|1,0,0]=3 660 B8R0.6 C=CC(=O)NCCCC 1626a_100000102301_100000185746 [0,1,1,0,0,0|1,0,0]=3 661 B8R0.6 C=CC(=O)NCCCC 240690a_100000102301_200121576911 [0,1,1,0,0,0|1,0,0]=3 662 B8R0.6 C=CC(=O)NCCCF 1626a_100015189416_100000185746 [0,1,1,0,0,0|2,0,0]=4 663 B8R0.6 C=CC(=O)NCCCF 240690a_100015189416_200121576911 [0,1,1,0,0,0|2,0,0]=4 664 B8R0.6 C=CC(=O)NCCCO 240690a_100000182051_200121576911 [0,1,1,0,0,0|2,0,0]=4 665 B8R0.6 C=CC(=O)NCCNC 2230a_114873766552_200000210301 [0,1,1,0,0,0|2,0,0]=4 666 B8R0.6 C=CC(=O)NCCN[13CH3] 2230a_114873766552_200025704644 [0,1,1,0,0,0|2,0,0]=4 667 B8R0.6 C=CC(=O)NCCOC 1626a_100000209980_100000185746 [0,1,1,0,0,0|2,0,0]=4 668 B8R0.6 C=CC(=O)NCCOC 240690a_100000209980_200121576911 [0,1,1,0,0,0|2,0,0]=4 669 B8R0.6 C=CC(=O)NCCOC 34a_100011304386_200000210301 [0,1,1,0,0,0|2,0,0]=4 670 B8R0.6 C=CC(=O)NCCO[13CH3] 34a_100011304386_200025704644 [0,1,1,0,0,0|2,0,0]=4 671 B8R0.6 C=CC(=O)NCCSC 1626a_100020590264_100000185746 [0,1,1,0,0,0|2,0,0]=4 672 B8R0.6 C=CC(=O)NCCSC 240690a_100020590264_200121576911 [0,1,1,0,0,0|2,0,0]=4 673 B8R0.6 C=CC(=O)NNCCC 22a_100000740057_100000185746 [0,1,1,0,0,0|2,0,0]=4 674 B8R0.6 C=CC(=O)OCCNC 2230a_106832991635_100009813456 [0,1,1,0,0,0|2,0,0]=4 675 B8R0.6 C=CC(=O)OCCNC 34a_100102657272_100009813456 [0,1,1,0,0,0|2,0,0]=4 676 B8R0.6 C=CC(=O)OCCNC 7a_106832991635_100009813456 [0,1,1,0,0,0|2,0,0]=4 677 B8R0.6 C=CC(=O)OCCOC 34a_100138415774_100009813456 [0,1,1,0,0,0|2,0,0]=4 678 B8R0.6 C=CC(=O)OCCSC 62a_100009813456_200000210301 [0,1,1,0,0,0|2,0,0]=4 679 B8R0.6 C=CC(=O)OCCSC 62a_200000210301_100009813456 [0,1,1,0,0,0|2,0,0]=4 680 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_100009813456_200025704644 [0,1,1,0,0,0|2,0,0]=4 681 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_200025704644_100009813456 [0,1,1,0,0,0|2,0,0]=4 682 B8R0.6 C=CC(C)COCC=O 34a_100011215527_200009817547 [0,1,1,0,0,0|1,0,0]=3 683 B8R0.6 C=CC(C)COCC=O 7a_100011215527_200015260668 [0,1,1,0,0,0|1,0,0]=3 684 B8R0.6 C=CC(O)CSCC=O 62a_100000730141_200015260668 [0,1,1,0,0,0|2,0,0]=4 685 B8R0.6 C=CC(O)CSCC=O 62a_200015260668_100000730141 [0,1,1,0,0,0|2,0,0]=4 686 B8R0.6 C=CCCCC(=O)C=C 1458a_100000185746_100000757094 [0,1,1,0,0,0|1,0,1]=4 687 B8R0.6 C=CCCOC(C)C=C 34a_100000695699_100000754431 [0,1,1,0,0,0|2,0,0]=4 688 B8R0.6 C=CCCSC(C)C=C 62a_100011215867_100000754431 [0,1,1,0,0,0|2,0,0]=4 689 B8R0.6 C=CCOCC(C)C=C 34a_100011215527_100015514636 [0,1,1,0,0,0|2,0,0]=4 690 B8R0.6 C=CCOCC(C)C=C 7a_100011215527_100015514636 [0,1,1,0,0,0|2,0,0]=4 691 B8R0.6 C=C[C@H](N)COCC=O 34a_100016989147_200009817547 [0,1,1,0,0,0|2,0,0]=4 692 B8R0.6 CC(CN)COCC=O 34a_100000744482_200009817547 [0,1,1,0,0,0|1,0,1]=4 693 B8R0.6 CC(CO)CNCC=O 34a_100000744482_200009817547 [0,1,1,0,0,0|0,0,2]=4 694 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [0,1,1,0,0,0|1,0,1]=4 695 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [0,1,1,0,0,0|1,0,1]=4 696 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [0,1,1,0,0,0|1,0,1]=4 697 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [0,1,1,0,0,0|1,0,1]=4 698 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [0,1,1,0,0,0|1,0,1]=4 699 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [0,1,1,0,0,0|1,0,1]=4 700 B8R0.6 CCC(C)CNCC=O 2230a_100020588543_200015260668 [0,1,1,0,0,0|1,0,1]=4 701 B8R0.6 CCC(C)CSCC=O 62a_100000748023_200015260668 [0,1,1,0,0,0|1,0,1]=4 702 B8R0.6 CCC(C)CSCC=O 62a_200015260668_100000748023 [0,1,1,0,0,0|1,0,1]=4 703 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [0,1,1,0,0,0|1,0,1]=4 704 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [0,1,1,0,0,0|1,0,1]=4 705 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [0,1,1,0,0,0|1,0,1]=4 706 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [0,1,1,0,0,0|0,0,2]=4 707 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [0,1,1,0,0,0|2,0,0]=4 708 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [0,1,1,0,0,0|2,0,0]=4 709 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [0,1,1,0,0,0|2,0,0]=4 710 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [0,1,1,0,0,0|2,0,0]=4 711 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [0,1,1,0,0,0|1,0,1]=4 712 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [0,1,1,0,0,0|1,0,1]=4 713 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [0,1,1,0,0,0|1,0,1]=4 714 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [0,1,1,0,0,0|1,0,1]=4 715 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [0,1,1,0,0,0|0,0,2]=4 716 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [0,1,1,0,0,0|0,0,2]=4 717 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [0,1,1,0,0,0|2,0,0]=4 718 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [0,1,1,0,0,0|2,0,0]=4 719 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [0,1,1,0,0,0|2,0,0]=4 720 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [0,1,1,0,0,0|2,0,0]=4 721 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [0,1,1,0,0,0|2,0,0]=4 722 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [0,1,1,0,0,0|2,0,0]=4 723 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [0,1,1,0,0,0|2,0,0]=4 724 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [0,1,1,0,0,0|1,0,1]=4 725 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [0,1,1,0,0,0|1,0,1]=4 726 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [0,1,1,0,0,0|1,0,1]=4 727 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [0,1,1,0,0,0|2,0,0]=4 728 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [0,1,1,0,0,0|2,0,0]=4 729 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [0,1,1,0,0,0|2,0,0]=4 730 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [0,1,1,0,0,0|2,0,0]=4 731 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [0,1,1,0,0,0|2,0,0]=4 732 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [0,1,1,0,0,0|2,0,0]=4 733 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [0,1,1,0,0,0|2,0,0]=4 734 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [0,1,1,0,0,0|1,0,1]=4 735 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [0,1,1,0,0,0|1,0,1]=4 736 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [0,1,1,0,0,0|1,0,1]=4 737 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [0,1,1,0,0,0|1,0,1]=4 738 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [0,1,1,0,0,0|2,0,0]=4 739 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [0,1,1,0,0,0|2,0,0]=4 740 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [0,1,1,0,0,0|2,0,0]=4 741 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [0,1,1,0,0,0|2,0,0]=4 742 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [0,1,1,0,0,0|2,0,0]=4 743 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [0,1,1,0,0,0|2,0,0]=4 744 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [0,1,1,0,0,0|2,0,0]=4 745 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [0,1,1,0,0,0|2,0,0]=4 746 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [0,1,1,0,0,0|2,0,0]=4 747 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [0,1,1,0,0,0|2,0,0]=4 748 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [0,1,1,0,0,0|2,0,0]=4 749 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [0,1,1,0,0,0|2,0,0]=4 750 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [0,1,1,0,0,0|1,0,1]=4 751 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [0,1,1,0,0,0|1,0,1]=4 752 B8R0.6 CCOCCC(=O)CF 1458a_100000749530_100015361967 [0,1,1,0,0,0|1,0,1]=4 753 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [0,1,1,0,0,0|0,0,2]=4 754 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [0,1,1,0,0,0|2,0,0]=4 755 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [0,1,1,0,0,0|2,0,0]=4 756 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [0,1,1,0,0,0|2,0,0]=4 757 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [0,1,1,0,0,0|2,0,0]=4 758 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [0,1,1,0,0,0|2,0,0]=4 759 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [0,1,1,0,0,0|2,0,0]=4 760 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [0,1,1,0,0,0|2,0,0]=4 761 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [0,1,1,0,0,0|1,0,1]=4 762 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [0,1,1,0,0,0|1,0,1]=4 763 B8R0.6 CCSCCC(=O)CF 1458a_100000230768_100015361967 [0,1,1,0,0,0|1,0,1]=4 764 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [0,1,1,0,0,0|0,0,2]=4 765 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [0,1,1,0,0,0|2,0,0]=4 766 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [0,1,1,0,0,0|2,0,0]=4 767 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [0,1,1,0,0,0|2,0,0]=4 768 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [0,1,1,0,0,0|2,0,0]=4 769 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [0,1,1,0,0,0|2,0,0]=4 770 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [0,1,1,0,0,0|2,0,0]=4 771 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [0,1,1,0,0,0|2,0,0]=4 772 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [0,1,1,0,0,0|2,0,0]=4 773 B8R0.6 CC[C@H](C)COCC=O 7a_100009816381_200015260668 [0,1,1,0,0,0|1,0,1]=4 774 B8R0.6 CC[C@H](C)CSCC=O 62a_100009816398_200015260668 [0,1,1,0,0,0|1,0,1]=4 775 B8R0.6 CC[C@H](C)CSCC=O 62a_200015260668_100009816398 [0,1,1,0,0,0|1,0,1]=4 776 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [0,1,1,0,0,0|2,0,0]=4 777 B8R0.6 CNC(=O)CCCN[13CH3] 2230a_100000740002_200025704644 [0,1,1,0,0,0|2,0,0]=4 778 B8R0.6 CNC(=O)CCCN[13CH3] 34a_100000740002_200025704644 [0,1,1,0,0,0|2,0,0]=4 779 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [0,1,1,0,0,0|2,0,0]=4 780 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [0,1,1,0,0,0|2,0,0]=4 781 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [0,1,1,0,0,0|2,0,0]=4 782 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [0,1,1,0,0,0|2,0,0]=4 783 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [0,1,1,0,0,0|2,0,0]=4 784 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [0,1,1,0,0,0|2,0,0]=4 785 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [0,1,1,0,0,0|2,0,0]=4 786 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [0,1,1,0,0,0|2,0,0]=4 787 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [0,1,1,0,0,0|2,0,0]=4 788 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [0,1,1,0,0,0|2,0,0]=4 789 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [0,1,1,0,0,0|2,0,0]=4 790 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [0,1,1,0,0,0|2,0,0]=4 791 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [0,1,1,0,0,0|2,0,0]=4 792 B8R0.6 CNCCCC(=O)NC 2230a_100000740002_200000210301 [0,1,1,0,0,0|2,0,0]=4 793 B8R0.6 CNCCCC(=O)NC 2230a_106832991635_100000741757 [0,1,1,0,0,0|2,0,0]=4 794 B8R0.6 CNCCCC(=O)NC 34a_100000740002_200000210301 [0,1,1,0,0,0|2,0,0]=4 795 B8R0.6 CNCCCC(=O)NC 34a_100102657272_100000741757 [0,1,1,0,0,0|2,0,0]=4 796 B8R0.6 CNCCCC(=O)NC 7a_106832991635_100000741757 [0,1,1,0,0,0|2,0,0]=4 797 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [0,1,1,0,0,0|2,0,0]=4 798 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [0,1,1,0,0,0|2,0,0]=4 799 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [0,1,1,0,0,0|2,0,0]=4 800 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [0,1,1,0,0,0|2,0,0]=4 801 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [0,1,1,0,0,0|2,0,0]=4 802 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [0,1,1,0,0,0|2,0,0]=4 803 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [0,1,1,0,0,0|2,0,0]=4 804 B8R0.6 COC(C)COCC=O 34a_100000690652_200009817547 [0,1,1,0,0,0|2,0,0]=4 805 B8R0.6 COCCCC(=O)CF 1458a_100000741012_100015361967 [0,1,1,0,0,0|1,0,1]=4 806 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [0,1,1,0,0,0|0,0,2]=4 807 B8R0.6 COCCCC(=O)NN 34a_100000211488_200000210301 [0,1,1,0,0,0|2,0,0]=4 808 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [0,1,1,0,0,0|2,0,0]=4 809 B8R0.6 CO[C@H](C)CNCC=O 2230a_100020591295_200015260668 [0,1,1,0,0,0|2,0,0]=4 810 B8R0.6 CSCCCC(=O)CF 1458a_100000173376_100015361967 [0,1,1,0,0,0|1,0,1]=4 811 B8R0.6 C[C@@H](CO)CSCC=O 62a_100000059175_200015260668 [0,1,1,0,0,0|0,0,2]=4 812 B8R0.6 C[C@@H](CO)CSCC=O 62a_200015260668_100000059175 [0,1,1,0,0,0|0,0,2]=4 813 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [0,1,1,0,0,0|1,0,1]=4 814 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [0,1,1,0,0,0|0,0,2]=4 815 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [0,1,1,0,0,0|0,0,2]=4 816 B8R0.6 [13CH3]OCCCC(=O)NN 34a_100000211488_200025704644 [0,1,1,0,0,0|2,0,0]=4 817 B8R0.8 C=C(Br)C(=O)NCCC 11a_100020643023_100009813364 [0,1,1,0,0,0|2,0,0]=4 818 B8R0.8 C=C(Br)C(=O)NCCC 1626a_100020643023_100009813364 [0,1,1,0,0,0|2,0,0]=4 819 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [0,1,1,0,0,0|1,0,0]=3 820 B8R0.8 C=C(C)C(=O)CCCF 1458a_100000185857_100011934791 [0,1,1,0,0,0|2,0,0]=4 821 B8R0.8 C=C(C)C(=O)CCCO 1458a_100000185857_100011215043 [0,1,1,0,0,0|2,0,0]=4 822 B8R0.8 C=C(C)C(=O)CCOC 1458a_100000185857_100000233755 [0,1,1,0,0,0|2,0,0]=4 823 B8R0.8 C=C(C)C(=O)CCSC 1458a_100000185857_100000751147 [0,1,1,0,0,0|2,0,0]=4 824 B8R0.8 C=C(C)C(=O)NCCC 11a_100020643023_100000185857 [0,1,1,0,0,0|2,0,0]=4 825 B8R0.8 C=C(C)C(=O)NCCC 1626a_100020643023_100000185857 [0,1,1,0,0,0|2,0,0]=4 826 B8R0.8 C=C(Cl)C(=O)NCCC 11a_100020643023_100000039160 [0,1,1,0,0,0|2,0,0]=4 827 B8R0.8 C=C(Cl)C(=O)NCCC 1626a_100020643023_100000039160 [0,1,1,0,0,0|2,0,0]=4 828 B8R0.8 C=C(F)C(=O)NCCC 11a_100020643023_100000036797 [0,1,1,0,0,0|2,0,0]=4 829 B8R0.8 C=C(F)C(=O)NCCC 1626a_100020643023_100000036797 [0,1,1,0,0,0|2,0,0]=4 830 B8R0.8 C=CCCN(C)C(=O)C 11a_100020639649_100015343762 [0,1,1,0,0,0|2,0,0]=4 831 B8R0.8 C=CCCN(C)C(=O)C 1626a_100020639649_100015343762 [0,1,1,0,0,0|2,0,0]=4 832 B8R0.8 C=CCCN(C)C(=O)C 240690a_100020639649_100015343762 [0,1,1,0,0,0|2,0,0]=4 833 B8R0.8 C=CCCN(C)C(=O)C 527a_100020639649_100103153847 [0,1,1,0,0,0|2,0,0]=4 834 B8R0.8 C=CCNC(C)C(=O)C 2230a_100020586998_100009814033 [0,1,1,0,0,0|2,0,0]=4 835 B8R0.8 C=CCNC(C)C(=O)N 2230a_100020586998_100000702099 [0,1,1,0,0,0|2,0,0]=4 836 B8R0.8 C=CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210623 [0,1,1,0,0,0|2,0,0]=4 837 B8R0.8 C=CCN[C@H](C)C(=O)N 2230a_100000119354_100000210623 [0,1,1,0,0,0|2,0,0]=4 838 B8R0.8 C=CCN[C@H](C)C(=O)N 34a_100000119354_100015514636 [0,1,1,0,0,0|2,0,0]=4 839 B8R0.8 C=CCOC(C)C(=O)C 34a_100000212229_100015514636 [0,1,1,0,0,0|2,0,0]=4 840 B8R0.8 C=CCOC(C)C(=O)N 34a_200000210373_100000702099 [0,1,1,0,0,0|2,0,0]=4 841 B8R0.8 C=CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100015514636 [0,1,1,0,0,0|2,0,0]=4 842 B8R0.8 C=CCO[C@H](C)C(=O)N 34a_100000731257_100015514636 [0,1,1,0,0,0|2,0,0]=4 843 B8R0.8 C=CCO[C@H](C)C(=O)N 7a_100000731257_100015514636 [0,1,1,0,0,0|2,0,0]=4 844 B8R0.8 C=CCSC(C)C(=O)C 1458a_100000230602_200000210301 [0,1,1,0,0,0|2,0,0]=4 845 B8R0.8 C=CCSC(C)C(=O)C 62a_100000210623_100009814033 [0,1,1,0,0,0|2,0,0]=4 846 B8R0.8 C=CCSC(C)C(=O)C 62a_100009814033_100000210623 [0,1,1,0,0,0|2,0,0]=4 847 B8R0.8 C=CCSC(C)C(=O)N 62a_100000210623_100000702099 [0,1,1,0,0,0|2,0,0]=4 848 B8R0.8 C=CCSC(C)C(=O)N 62a_100000702099_100000210623 [0,1,1,0,0,0|2,0,0]=4 849 B8R0.8 C=CCSC(C)C(=O)[13CH3] 1458a_100000230602_200025704644 [0,1,1,0,0,0|2,0,0]=4 850 B8R0.8 CC(=O)C(=O)CSCF 62a_100011261029_100015361967 [0,1,1,0,0,0|2,0,0]=4 851 B8R0.8 CC(=O)C(=O)CSCF 62a_100015361967_100011261029 [0,1,1,0,0,0|2,0,0]=4 852 B8R0.8 CC(=O)C(C)OCC=O 34a_100000212229_200009817547 [0,1,1,0,0,0|1,0,0]=3 853 B8R0.8 CC(=O)C(C)SCC=O 62a_100009814033_200015260668 [0,1,1,0,0,0|1,0,0]=3 854 B8R0.8 CC(=O)C(C)SCC=O 62a_200015260668_100009814033 [0,1,1,0,0,0|1,0,0]=3 855 B8R0.8 CC(SCC=O)C(=O)N 62a_100000702099_200015260668 [0,1,1,0,0,0|1,0,0]=3 856 B8R0.8 CC(SCC=O)C(=O)N 62a_200015260668_100000702099 [0,1,1,0,0,0|1,0,0]=3 857 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [0,1,1,0,0,0|1,0,1]=4 858 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [0,1,1,0,0,0|1,0,1]=4 859 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210183_100000210206 [0,1,1,0,0,0|1,0,1]=4 860 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210198_100000210211 [0,1,1,0,0,0|1,0,1]=4 861 B8R0.8 CCCCC(=O)C(C)F 1458a_100000062450_100000210211 [0,1,1,0,0,0|1,0,1]=4 862 B8R0.8 CCCCC(=O)C(O)O 1458a_100000233687_100000210211 [0,1,1,0,0,0|0,0,2]=4 863 B8R0.8 CCCCC(=O)N(C)C 11a_100102631434_100000210183 [0,1,1,0,0,0|2,0,0]=4 864 B8R0.8 CCCCC(=O)N(C)C 1626a_100102631434_100000210183 [0,1,1,0,0,0|2,0,0]=4 865 B8R0.8 CCCCC(=O)N(C)C 240690a_100102631434_100000210183 [0,1,1,0,0,0|2,0,0]=4 866 B8R0.8 CCCCC(=O)N(C)C 527a_100102631434_100000210183 [0,1,1,0,0,0|2,0,0]=4 867 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [0,1,1,0,0,0|0,0,2]=4 868 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [0,1,1,0,0,0|0,0,2]=4 869 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [0,1,1,0,0,0|1,0,1]=4 870 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [0,1,1,0,0,0|1,0,1]=4 871 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [0,1,1,0,0,0|1,0,1]=4 872 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [0,1,1,0,0,0|0,0,2]=4 873 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [0,1,1,0,0,0|0,0,2]=4 874 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [0,1,1,0,0,0|2,0,0]=4 875 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [0,1,1,0,0,0|2,0,0]=4 876 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [0,1,1,0,0,0|2,0,0]=4 877 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [0,1,1,0,0,0|2,0,0]=4 878 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [0,1,1,0,0,0|1,0,0]=3 879 B8R0.8 CCCNC(=O)C(=O)N 240690a_100020643023_100011215815 [0,1,1,0,0,0|1,0,0]=3 880 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [0,1,1,0,0,0|1,0,0]=3 881 B8R0.8 CCNNC(=O)C(=O)N 22a_100000756455_100011215815 [0,1,1,0,0,0|2,0,0]=4 882 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [0,1,1,0,0,0|1,0,0]=3 883 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [0,1,1,0,0,0|1,0,0]=3 884 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [0,1,1,0,0,0|1,0,0]=3 885 B8R0.8 C[C@@H](NCC=O)C(=O)N 2230a_100000119354_200015260668 [0,1,1,0,0,0|1,0,0]=3 886 B8R0.8 C[C@@H](NCC=O)C(=O)N 34a_100000119354_200009817547 [0,1,1,0,0,0|1,0,0]=3 887 B8R0.8 C[C@@H](OCC=O)C(=O)N 34a_100000731257_200009817547 [0,1,1,0,0,0|1,0,0]=3 888 B8R0.8 C[C@@H](OCC=O)C(=O)N 7a_100000731257_200015260668 [0,1,1,0,0,0|1,0,0]=3 889 B8R0.8 C[C@H](NCC=O)C(=O)O 269956a_100000743915_200015260668 [0,1,1,0,0,0|1,0,0]=3 890 B8R0.8 C[C@H](OCC=O)C(=O)[O-] 7a_217856618621_200015260668 [0,1,1,0,0,0|1,0,0]=3 891 B8R0.8 NC(=O)C(=O)NCCF 240690a_100000724931_100011215815 [0,1,1,0,0,0|2,0,0]=4 892 B8R0.8 NC(=O)C(=O)NCCO 240690a_100000210304_100011215815 [0,1,1,0,0,0|2,0,0]=4 893 B8R0.8 NC(=O)C(F)SCC=O 62a_100009813875_200015260668 [0,1,1,0,0,0|2,0,0]=4 894 B8R0.8 NC(=O)C(F)SCC=O 62a_200015260668_100009813875 [0,1,1,0,0,0|2,0,0]=4 895 B8R0.8 O=CCSC(F)C(=O)[O-] 62a_100020610796_200015260668 [0,1,1,0,0,0|2,0,0]=4 896 B8R0.8 O=CCSC(F)C(=O)[O-] 62a_200015260668_100020610796 [0,1,1,0,0,0|2,0,0]=4 897 B8R0.9 C#CC(=O)CCC(C)C 1458a_100000211873_100000210312 [0,1,1,0,0,0|1,0,1]=4 898 B8R0.9 C#CC(=O)CCC(C)O 1458a_100000211873_100012276601 [0,1,1,0,0,0|1,0,1]=4 899 B8R0.9 C=CC(=O)CCC(=C)C 1458a_100000185746_100000730704 [0,1,1,0,0,0|1,0,1]=4 900 B8R0.9 C=CC(=O)CCC(C)C 1458a_100000185746_100000210312 [0,1,1,0,0,0|1,0,0]=3 901 B8R0.9 C=CC(=O)CCC(C)O 1458a_100000185746_100012276601 [0,1,1,0,0,0|1,0,0]=3 902 B8R0.9 C=CC(=O)NCC(C)C 1626a_100000210953_100000185746 [0,1,1,0,0,0|2,0,0]=4 903 B8R0.9 C=CC(=O)NCC(C)C 240690a_100000210953_200121576911 [0,1,1,0,0,0|2,0,0]=4 904 B8R0.9 C=CC(=O)NCC(C)O 240690a_100000210904_200121576911 [0,1,1,0,0,0|2,0,0]=4 905 B8R0.9 C=CC(C)NCC(=O)O 269956a_100016091260_100011215867 [0,1,1,0,0,0|2,0,0]=4 906 B8R0.9 C=CC(C)OCC(=O)N 34a_100000695699_100000187820 [0,1,1,0,0,0|2,0,0]=4 907 B8R0.9 C=CC(C)OCC(=O)[O-] 34a_100000695699_100020667443 [0,1,1,0,0,0|2,0,0]=4 908 B8R0.9 C=CC(C)SCC(=O)N 62a_100011215867_100000747473 [0,1,1,0,0,0|2,0,0]=4 909 B8R0.9 C=CC(C)SCC(=O)[O-] 62a_100011215867_100020667443 [0,1,1,0,0,0|2,0,0]=4 910 B8R0.9 CC(C)CCC(=O)CF 1458a_100000181311_100015361967 [0,1,1,0,0,0|1,0,1]=4 911 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [0,1,1,0,0,0|0,0,2]=4 912 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [0,1,1,0,0,0|0,0,2]=4 913 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [0,1,1,0,0,0|1,0,1]=4 914 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [0,1,1,0,0,0|1,0,1]=4 915 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [0,1,1,0,0,0|1,0,1]=4 916 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [0,1,1,0,0,0|1,0,1]=4 917 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [0,1,1,0,0,0|1,0,1]=4 918 B8R0.9 CNC(=O)CCC(C)C 11a_106832991635_100000181311 [0,1,1,0,0,0|2,0,0]=4 919 B8R0.9 CNC(=O)CCC(C)C 1626a_100102657272_100000181311 [0,1,1,0,0,0|2,0,0]=4 920 B8R0.9 CNC(=O)CCC(C)C 240690a_100102657272_100000181311 [0,1,1,0,0,0|2,0,0]=4 921 B8R0.9 CNC(=O)CCC(C)C 527a_100102657272_100000181311 [0,1,1,0,0,0|2,0,0]=4 922 B8R0.9 CNC(=O)CCC(C)O 1626a_100102657272_100000718519 [0,1,1,0,0,0|2,0,0]=4 923 B8R0.11 C=CC(CC)OCC=O 34a_100000766422_200009817547 [0,1,1,0,0,0|2,0,0]=4 924 B8R0.11 C=CC(CC)OCC=O 7a_100000766422_200015260668 [0,1,1,0,0,0|2,0,0]=4 925 B8R0.11 C=C[C@@H](CO)NCC=O 2230a_100016989147_200015260668 [0,1,1,0,0,0|2,0,0]=4 926 B8R0.11 C=C[C@@H](CO)NCC=O 34a_100016989147_200009817547 [0,1,1,0,0,0|2,0,0]=4 927 B8R0.11 CCCOC(C=O)C=O 34a_100000210258_100000736813 [0,1,1,0,0,0|1,0,1]=4 928 B8R0.11 CCCSC(C=O)C=O 62a_100000210303_100000736813 [0,1,1,0,0,0|1,0,1]=4 929 B8R0.11 CCCSC(C=O)C=O 62a_100000736813_100000210303 [0,1,1,0,0,0|1,0,1]=4 930 B8R0.11 O=CCSC(C=O)C=O 62a_100000736813_200015260668 [0,1,1,0,0,0|1,0,1]=4 931 B8R0.11 O=CCSC(C=O)C=O 62a_200015260668_100000736813 [0,1,1,0,0,0|1,0,1]=4 932 B8R0.19 C#CC(=O)CC(C)CC 1458a_100000211873_100000748023 [0,1,1,0,0,0|1,0,1]=4 933 B8R0.19 C#CC(=O)CC(O)CC 1458a_100000211873_100011218378 [0,1,1,0,0,0|1,0,1]=4 934 B8R0.19 C#CC(=O)C[C@@H](C)CC 1458a_100000211873_100009816398 [0,1,1,0,0,0|1,0,1]=4 935 B8R0.19 C=CC(=O)CC(=O)CC 1458a_100000185746_100000747405 [0,1,1,0,0,0|1,0,1]=4 936 B8R0.19 C=CC(=O)CC(C)CC 1458a_100000185746_100000748023 [0,1,1,0,0,0|1,0,0]=3 937 B8R0.19 C=CC(=O)CC(O)CC 1458a_100000185746_100011218378 [0,1,1,0,0,0|1,0,0]=3 938 B8R0.19 C=CC(=O)C[C@@H](C)CC 1458a_100000185746_100009816398 [0,1,1,0,0,0|1,0,0]=3 939 B8R0.19 C=CC(=O)C[C@@H](C)CO 1458a_100000185746_100000059175 [0,1,1,0,0,0|2,0,0]=4 940 B8R0.19 C=CC(=O)NC(C)CC 1626a_100000209981_100000185746 [0,1,1,0,0,0|2,0,0]=4 941 B8R0.19 C=CC(=O)NC(C)CC 240690a_100000209981_200121576911 [0,1,1,0,0,0|2,0,0]=4 942 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [0,1,1,0,0,0|1,0,1]=4 943 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [0,1,1,0,0,0|1,0,1]=4 944 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [0,1,1,0,0,0|1,0,1]=4 945 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [0,1,1,0,0,0|1,0,1]=4 946 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [0,1,1,0,0,0|1,0,1]=4 947 B8R0.19 CCC(C)CC(=O)CF 1458a_100000708755_100015361967 [0,1,1,0,0,0|1,0,1]=4 948 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [0,1,1,0,0,0|0,0,2]=4 949 B8R0.19 CCC(C)CC(=O)NC 11a_106832991635_100000708755 [0,1,1,0,0,0|2,0,0]=4 950 B8R0.19 CCC(C)CC(=O)NC 1626a_100102657272_100000708755 [0,1,1,0,0,0|2,0,0]=4 951 B8R0.19 CCC(C)CC(=O)NC 240690a_100102657272_100000708755 [0,1,1,0,0,0|2,0,0]=4 952 B8R0.19 CCC(C)CC(=O)NC 527a_100102657272_100000708755 [0,1,1,0,0,0|2,0,0]=4 953 B8R0.19 CCC(O)CC(=O)CF 1458a_100011667805_100015361967 [0,1,1,0,0,0|1,0,1]=4 954 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [0,1,1,0,0,0|0,0,2]=4 955 B8R0.19 CCC(O)CC(=O)NC 1626a_100102657272_100011667805 [0,1,1,0,0,0|2,0,0]=4 956 B8R0.19 CCC(O)CC(=O)NC 240690a_100102657272_100011667805 [0,1,1,0,0,0|2,0,0]=4 957 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [0,1,1,0,0,0|0,0,2]=4 958 B8R0.25 C=CC(C)(C)OCC=O 34a_100011215311_200009817547 [0,1,1,0,0,0|2,0,0]=4 959 B8R0.25 C=CC(C)(C)OCC=O 7a_100011215311_200015260668 [0,1,1,0,0,0|2,0,0]=4 960 B8R0.2 C/C=C(\C)/C(=O)C(C)C 1458a_100020587367_100000210206 [0,1,1,0,0,0|1,0,1]=4 961 B8R0.2 C=C(Br)C(=O)N(C)CC 11a_100000225621_100009813364 [0,1,1,0,0,0|2,0,0]=4 962 B8R0.2 C=C(Br)C(=O)N(C)CC 1626a_100000225621_100009813364 [0,1,1,0,0,0|2,0,0]=4 963 B8R0.2 C=C(C)C(=O)C(C)CC 1458a_100000185857_100000758301 [0,1,1,0,0,0|1,0,0]=3 964 B8R0.2 C=C(C)C(=O)N(C)CC 11a_100000225621_100000185857 [0,1,1,0,0,0|2,0,0]=4 965 B8R0.2 C=C(C)C(=O)N(C)CC 1626a_100000225621_100000185857 [0,1,1,0,0,0|2,0,0]=4 966 B8R0.2 C=C(Cl)C(=O)N(C)CC 11a_100000225621_100000039160 [0,1,1,0,0,0|2,0,0]=4 967 B8R0.2 C=C(Cl)C(=O)N(C)CC 1626a_100000225621_100000039160 [0,1,1,0,0,0|2,0,0]=4 968 B8R0.2 C=C(F)C(=O)N(C)CC 11a_100000225621_100000036797 [0,1,1,0,0,0|2,0,0]=4 969 B8R0.2 C=C(F)C(=O)N(C)CC 1626a_100000225621_100000036797 [0,1,1,0,0,0|2,0,0]=4 970 B8R0.2 C=CC(=O)C(C)C(=O)C 1458a_100000185746_100000179758 [0,1,1,0,0,0|1,0,1]=4 971 B8R0.2 C=CC(=O)N(C)C(C)C 1626a_200000211004_100000185746 [0,1,1,0,0,0|2,0,0]=4 972 B8R0.2 C=CC(=O)N(C)C(C)C 240690a_200000211004_200121576911 [0,1,1,0,0,0|2,0,0]=4 973 B8R0.2 CC(C)C(C)C(=O)CF 1458a_100000755409_100015361967 [0,1,1,0,0,0|1,0,1]=4 974 B8R0.2 CCC(=O)C(=O)N(C)C 1458a_100011218876_100000210202 [0,1,1,0,0,0|1,0,0]=3 975 B8R0.2 CCC(=O)C(C)C(C)C 1458a_100000755409_100000210202 [0,1,1,0,0,0|1,0,1]=4 976 B8R0.2 CCC(=O)N(C)C(C)C 11a_200000211004_100000210414 [0,1,1,0,0,0|2,0,0]=4 977 B8R0.2 CCC(=O)N(C)C(C)C 1626a_200000211004_100000210414 [0,1,1,0,0,0|2,0,0]=4 978 B8R0.2 CCC(=O)N(C)C(C)C 240690a_200000211004_100000210414 [0,1,1,0,0,0|2,0,0]=4 979 B8R0.2 CCC(=O)N(C)C(C)C 527a_200000211004_100000210414 [0,1,1,0,0,0|2,0,0]=4 980 B8R0.2 CCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210202 [0,1,1,0,0,0|0,0,2]=4 981 B8R0.2 CCC(C)C(=O)C(C)C 1458a_100000210198_100000758301 [0,1,1,0,0,0|1,0,1]=4 982 B8R0.2 CCC(C)C(=O)C(C)C 1458a_100011192722_100000210206 [0,1,1,0,0,0|1,0,1]=4 983 B8R0.2 CCC(C)C(=O)C(C)F 1458a_100000062450_100000758301 [0,1,1,0,0,0|1,0,1]=4 984 B8R0.2 CCC(C)C(=O)C(O)O 1458a_100000233687_100000758301 [0,1,1,0,0,0|0,0,2]=4 985 B8R0.2 CCC(C)C(=O)N(C)C 11a_100102631434_100011192722 [0,1,1,0,0,0|2,0,0]=4 986 B8R0.2 CCC(C)C(=O)N(C)C 1626a_100102631434_100011192722 [0,1,1,0,0,0|2,0,0]=4 987 B8R0.2 CCC(C)C(=O)N(C)C 240690a_100102631434_100011192722 [0,1,1,0,0,0|2,0,0]=4 988 B8R0.2 CCC(C)C(=O)N(C)C 527a_100102631434_100011192722 [0,1,1,0,0,0|2,0,0]=4 989 B8R0.2 CCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000758301 [0,1,1,0,0,0|0,0,2]=4 990 B8R0.2 CCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000758301 [0,1,1,0,0,0|0,0,2]=4 991 B8R0.2 CCC(C)N(C)C(=O)C 11a_100000741768_100015343762 [0,1,1,0,0,0|2,0,0]=4 992 B8R0.2 CCC(C)N(C)C(=O)C 1626a_100000741768_100015343762 [0,1,1,0,0,0|2,0,0]=4 993 B8R0.2 CCC(C)N(C)C(=O)C 240690a_100000741768_100015343762 [0,1,1,0,0,0|2,0,0]=4 994 B8R0.2 CCC(C)N(C)C(=O)C 527a_100000741768_100103153847 [0,1,1,0,0,0|2,0,0]=4 995 B8R0.2 CCC(O)C(=O)C(C)C 1458a_100011196387_100000210206 [0,1,1,0,0,0|0,0,2]=4 996 B8R0.2 CCN(C)C(=O)C(=O)N 240690a_100000225621_100011215815 [0,1,1,0,0,0|1,0,0]=3 997 B8R0.2 CCN(C)C(=O)C(C)C 11a_100000225621_100000210198 [0,1,1,0,0,0|2,0,0]=4 998 B8R0.2 CCN(C)C(=O)C(C)C 1626a_100000225621_100000210198 [0,1,1,0,0,0|2,0,0]=4 999 B8R0.2 CCN(C)C(=O)C(C)C 240690a_100000225621_100000210198 [0,1,1,0,0,0|2,0,0]=4 1000 B8R0.2 CCN(C)C(=O)C(C)C 527a_100000225621_100000210198 [0,1,1,0,0,0|2,0,0]=4 1001 B8R0.2 CCN(C)C(=O)C(C)F 11a_100000225621_100000062450 [0,1,1,0,0,0|2,0,0]=4 1002 B8R0.2 CCN(C)C(=O)C(C)F 1626a_100000225621_100000062450 [0,1,1,0,0,0|2,0,0]=4 1003 B8R0.2 CCN(C)C(=O)C(C)F 240690a_100000225621_100000062450 [0,1,1,0,0,0|2,0,0]=4 1004 B8R0.2 CCN(C)C(=O)C(C)F 527a_100000225621_100000062450 [0,1,1,0,0,0|2,0,0]=4 1005 B8R0.2 CCN(C)C(=O)[C@@H](C)O 240690a_100000225621_100000717761 [0,1,1,0,0,0|2,0,0]=4 1006 B8R0.2 CCN(C)C(=O)[C@H](C)O 1626a_100000225621_217856618621 [0,1,1,0,0,0|2,0,0]=4 1007 B8R0.2 CCN(C)C(=O)[C@H](C)O 240690a_100000225621_217856618621 [0,1,1,0,0,0|2,0,0]=4 1008 B8R0.2 CN(C)C(=O)C(=O)CF 1458a_100011218876_100015361967 [0,1,1,0,0,0|2,0,0]=4 1009 B8R0.2 CNC(=O)C(=O)C(C)C 1458a_100011218921_100000210206 [0,1,1,0,0,0|1,0,0]=3 1010 B8R0.2 CNC(=O)C(=O)N(C)C 1626a_100102631434_100011218921 [0,1,1,0,0,0|2,0,0]=4 1011 B8R0.2 CNC(=O)C(=O)N(C)C 1626a_100102657272_100011218876 [0,1,1,0,0,0|2,0,0]=4 1012 B8R0.2 CNC(=O)C(=O)N(C)C 240690a_100102631434_100011218921 [0,1,1,0,0,0|2,0,0]=4 1013 B8R0.2 CNC(=O)C(=O)N(C)C 240690a_100102657272_100011218876 [0,1,1,0,0,0|2,0,0]=4 1014 B8R0.2 CNC(=O)C(=O)N(C)C 527a_100102631434_100011218921 [0,1,1,0,0,0|2,0,0]=4 1015 B8R0.2 CNC(=O)C(=O)N(C)C 527a_100102657272_100011218876 [0,1,1,0,0,0|2,0,0]=4 1016 B8R0.2 CNC(=O)C(C)C(C)C 11a_106832991635_100000755409 [0,1,1,0,0,0|2,0,0]=4 1017 B8R0.2 CNC(=O)C(C)C(C)C 1626a_100102657272_100000755409 [0,1,1,0,0,0|2,0,0]=4 1018 B8R0.2 CNC(=O)C(C)C(C)C 240690a_100102657272_100000755409 [0,1,1,0,0,0|2,0,0]=4 1019 B8R0.2 CNC(=O)C(C)C(C)C 527a_100102657272_100000755409 [0,1,1,0,0,0|2,0,0]=4 1020 B8R0.2 COC(=O)C(=O)N(C)C 11a_100102631434_100000024059 [0,1,1,0,0,0|2,0,0]=4 1021 B8R0.2 COC(=O)C(=O)N(C)C 1626a_100102631434_100000024059 [0,1,1,0,0,0|2,0,0]=4 1022 B8R0.2 COC(=O)C(=O)N(C)C 240690a_100102631434_100000024059 [0,1,1,0,0,0|2,0,0]=4 1023 B8R0.2 COC(=O)C(=O)N(C)C 527a_100102631434_100000024059 [0,1,1,0,0,0|2,0,0]=4 1024 B8R0.13 CCC(=O)C(C)(C)CC 1458a_100000749717_100000210202 [0,1,1,0,0,0|1,0,1]=4 1025 B8R0.13 CCC(=O)C(C)(O)CC 1458a_100011219770_100000210202 [0,1,1,0,0,0|0,0,2]=4 1026 B8R0.13 CCC(=O)C(F)(F)CC 1458a_100000061896_100000210202 [0,1,1,0,0,0|1,0,1]=4 1027 B8R0.13 CCC(C)(C)C(=O)CF 1458a_100000749717_100015361967 [0,1,1,0,0,0|1,0,1]=4 1028 B8R0.13 CCC(C)(C)C(=O)NC 11a_106832991635_100000749717 [0,1,1,0,0,0|2,0,0]=4 1029 B8R0.13 CCC(C)(C)C(=O)NC 1626a_100102657272_100000749717 [0,1,1,0,0,0|2,0,0]=4 1030 B8R0.13 CCC(C)(C)C(=O)NC 240690a_100102657272_100000749717 [0,1,1,0,0,0|2,0,0]=4 1031 B8R0.13 CCC(C)(C)C(=O)NC 527a_100102657272_100000749717 [0,1,1,0,0,0|2,0,0]=4 1032 B8R0.13 CCC(C)(O)C(=O)CF 1458a_100011219770_100015361967 [0,1,1,0,0,0|1,0,1]=4 1033 B8R0.13 CCC(C)(O)C(=O)NC 240690a_100102657272_100011219770 [0,1,1,0,0,0|2,0,0]=4 1034 B8R0.20 C#CC(=O)C(CC)CC 1458a_100000211873_100000210505 [0,1,1,0,0,0|1,0,1]=4 1035 B8R0.20 C=CC(=O)C(CC)CC 1458a_100000185746_100000210505 [0,1,1,0,0,0|1,0,0]=3 1036 B8R0.20 C=CC(=O)N(CC)CC 1626a_100000724800_100000185746 [0,1,1,0,0,0|2,0,0]=4 1037 B8R0.20 C=CC(=O)N(CC)CC 240690a_100000724800_200121576911 [0,1,1,0,0,0|2,0,0]=4 1038 B8R0.20 CCC(=O)C(CC)CC 1458a_100000210414_100000210505 [0,1,1,0,0,0|1,0,1]=4 1039 B8R0.20 CCC(=O)C(CC)CC 1458a_100000211163_100000210202 [0,1,1,0,0,0|1,0,1]=4 1040 B8R0.20 CCC(=O)C(CC)OC 1458a_100000747056_100000210202 [0,1,1,0,0,0|0,0,2]=4 1041 B8R0.20 CCC(=O)C(CC)OC 34a_200011218131_200000210301 [0,1,1,0,0,0|0,0,2]=4 1042 B8R0.20 CCC(=O)C(CC)OC 7a_200011218131_200000210301 [0,1,1,0,0,0|0,0,2]=4 1043 B8R0.20 CCC(=O)C(CC)O[13CH3] 34a_200011218131_200025704644 [0,1,1,0,0,0|0,0,2]=4 1044 B8R0.20 CCC(=O)C(CC)O[13CH3] 7a_200011218131_200025704644 [0,1,1,0,0,0|0,0,2]=4 1045 B8R0.20 CCC(=O)N(CC)CC 11a_100000724800_100000210414 [0,1,1,0,0,0|2,0,0]=4 1046 B8R0.20 CCC(=O)N(CC)CC 1626a_100000724800_100000210414 [0,1,1,0,0,0|2,0,0]=4 1047 B8R0.20 CCC(=O)N(CC)CC 240690a_100000724800_100000210414 [0,1,1,0,0,0|2,0,0]=4 1048 B8R0.20 CCC(=O)N(CC)CC 527a_100000724800_100000210414 [0,1,1,0,0,0|2,0,0]=4 1049 B8R0.20 CCC(CC)C(=O)CF 1458a_100000211163_100015361967 [0,1,1,0,0,0|1,0,1]=4 1050 B8R0.20 CCC(CC)C(=O)CO 1458a_100000210174_100000210505 [0,1,1,0,0,0|0,0,2]=4 1051 B8R0.20 CCC(CC)C(=O)NC 11a_106832991635_100000211163 [0,1,1,0,0,0|2,0,0]=4 1052 B8R0.20 CCC(CC)C(=O)NC 1626a_100102657272_100000211163 [0,1,1,0,0,0|2,0,0]=4 1053 B8R0.20 CCC(CC)C(=O)NC 240690a_100102657272_100000211163 [0,1,1,0,0,0|2,0,0]=4 1054 B8R0.20 CCC(CC)C(=O)NC 527a_100102657272_100000211163 [0,1,1,0,0,0|2,0,0]=4 1055 B8R0.20 CCC(NC)C(=O)OC 2230a_106832991635_100000235869 [0,1,1,0,0,0|2,0,0]=4 1056 B8R0.20 CCC(NC)C(=O)OC 34a_100102657272_100000235869 [0,1,1,0,0,0|2,0,0]=4 1057 B8R0.20 CCC(NC)C(=O)OC 7a_106832991635_100000742303 [0,1,1,0,0,0|2,0,0]=4 1058 B8R0.20 CCC(OC)C(=O)CF 1458a_100000747056_100015361967 [0,1,1,0,0,0|1,0,1]=4 1059 B8R0.20 CCC(OC)C(=O)NC 11a_106832991635_100000747056 [0,1,1,0,0,0|2,0,0]=4 1060 B8R0.20 CCC(OC)C(=O)NC 1626a_100102657272_100000747056 [0,1,1,0,0,0|2,0,0]=4 1061 B8R0.20 CCC(OC)C(=O)NC 240690a_100102657272_100000747056 [0,1,1,0,0,0|2,0,0]=4 1062 B8R0.20 CCC(OC)C(=O)NC 527a_100102657272_100000747056 [0,1,1,0,0,0|2,0,0]=4 1063 B8R0.20 CCC(OC)C(=O)OC 34a_100000695916_200000210301 [0,1,1,0,0,0|2,0,0]=4 1064 B8R0.20 CCC(OC)C(=O)OC 34a_100138415774_100000235869 [0,1,1,0,0,0|2,0,0]=4 1065 B8R0.20 CCC(OC)C(=O)OC 7a_100000695916_200000210301 [0,1,1,0,0,0|2,0,0]=4 1066 B8R0.20 CCC(O[13CH3])C(=O)OC 34a_100000695916_200025704644 [0,1,1,0,0,0|2,0,0]=4 1067 B8R0.20 CCC(O[13CH3])C(=O)OC 7a_100000695916_200025704644 [0,1,1,0,0,0|2,0,0]=4 1068 B8R0.20 CCC(SC)C(=O)OC 62a_100000235869_200000210301 [0,1,1,0,0,0|2,0,0]=4 1069 B8R0.20 CCC(SC)C(=O)OC 62a_200000210301_100000235869 [0,1,1,0,0,0|2,0,0]=4 1070 B8R0.20 CCC(S[13CH3])C(=O)OC 62a_100000235869_200025704644 [0,1,1,0,0,0|2,0,0]=4 1071 B8R0.20 CCC(S[13CH3])C(=O)OC 62a_200025704644_100000235869 [0,1,1,0,0,0|2,0,0]=4 1072 B8R0.20 CCN(C)C(C=O)C=O 2230a_100000225621_100000736813 [0,1,1,0,0,0|1,0,1]=4 1073 B8R0.20 CC[C@H](NC)C(=O)NC 2230a_106657271573_200000210301 [0,1,1,0,0,0|2,0,0]=4 1074 B8R0.20 CC[C@H](NC)C(=O)NC 34a_106657271573_200000210301 [0,1,1,0,0,0|2,0,0]=4 1075 B8R0.20 CC[C@H](N[13CH3])C(=O)NC 2230a_106657271573_200025704644 [0,1,1,0,0,0|2,0,0]=4 1076 B8R0.20 CC[C@H](N[13CH3])C(=O)NC 34a_106657271573_200025704644 [0,1,1,0,0,0|2,0,0]=4 1077 B8R0.18 CC(=C(C#N)C(=O)[13CH3])C 1458a_100000137542_200025704644 [0,1,1,0,0,0|1,0,1]=4 1078 B8R0.18 CC(=O)C(=C(C)C)C#N 1458a_100000137542_200000210301 [0,1,1,0,0,0|1,0,1]=4 1079 B8R0.18 CCN(C(=O)C)C(C)C 11a_100000223864_100015343762 [0,1,1,0,0,0|2,0,0]=4 1080 B8R0.18 CCN(C(=O)C)C(C)C 1626a_100000223864_100015343762 [0,1,1,0,0,0|2,0,0]=4 1081 B8R0.18 CCN(C(=O)C)C(C)C 240690a_100000223864_100015343762 [0,1,1,0,0,0|2,0,0]=4 1082 B8R0.18 CCN(C(=O)C)C(C)C 527a_100000223864_100103153847 [0,1,1,0,0,0|2,0,0]=4 1083 B8R0.27 CC(=O)N(C)C(C)(C)C 11a_100011215553_100015343762 [0,1,1,0,0,0|2,0,0]=4 1084 B8R0.27 CC(=O)N(C)C(C)(C)C 1626a_100011215553_100015343762 [0,1,1,0,0,0|2,0,0]=4 1085 B8R0.27 CC(=O)N(C)C(C)(C)C 240690a_100011215553_100015343762 [0,1,1,0,0,0|2,0,0]=4 1086 B8R0.27 CC(=O)[C@@H](O)C(C)(C)C 1458a_100009816492_200000210301 [0,1,1,0,0,0|0,0,2]=4 1087 B8R0.27 CC(C)(C)[C@H](O)C(=O)[13CH3] 1458a_100009816492_200025704644 [0,1,1,0,0,0|0,0,2]=4 1088 B8R0.27 CC(C)C(=O)C(C)(C)C 1458a_106744555173_100000210206 [0,1,1,0,0,0|1,0,1]=4 1089 B8R0.27 CC(C)C(=O)C(C)(C)F 1458a_100000765255_100000210206 [0,1,1,0,0,0|1,0,1]=4 1090 B8R0.27 CC(C)C(=O)C(C)(C)O 1458a_100000242741_100000210206 [0,1,1,0,0,0|0,0,2]=4 1091 B8R0.27 CN(C)C(=O)C(C)(C)C 11a_100102631434_106744555173 [0,1,1,0,0,0|2,0,0]=4 1092 B8R0.27 CN(C)C(=O)C(C)(C)C 1626a_100102631434_106744555173 [0,1,1,0,0,0|2,0,0]=4 1093 B8R0.27 CN(C)C(=O)C(C)(C)C 240690a_100102631434_106744555173 [0,1,1,0,0,0|2,0,0]=4 1094 B8R0.27 CN(C)C(=O)C(C)(C)C 527a_100102631434_106744555173 [0,1,1,0,0,0|2,0,0]=4 1095 B8R0.27 CN(C)C(=O)C(C)(C)F 11a_100102631434_100000765255 [0,1,1,0,0,0|2,0,0]=4 1096 B8R0.27 CN(C)C(=O)C(C)(C)F 1626a_100102631434_100000765255 [0,1,1,0,0,0|2,0,0]=4 1097 B8R0.27 CN(C)C(=O)C(C)(C)F 240690a_100102631434_100000765255 [0,1,1,0,0,0|2,0,0]=4 1098 B8R0.27 CN(C)C(=O)C(C)(C)F 527a_100102631434_100000765255 [0,1,1,0,0,0|2,0,0]=4 1099 B8R0.27 CN(C)C(=O)C(C)(C)O 240690a_100102631434_100000242741 [0,1,1,0,0,0|2,0,0]=4 1100 B8R1.1 CNC1CNC(=O)C1 2230a_100000697751_200000210301 [1,1,0,0,0,0|1,0,1]=4 1101 B8R1.1 CNC1COC(=O)O1 34a_100102657272_100000032252 [1,1,0,0,0,0|2,0,0]=4 1102 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [1,1,0,0,0,0|0,0,1]=3 1103 B8R1.1 COC1CNC(=O)C1 34a_100000690082_200000210301 [1,1,0,0,0,0|1,0,1]=4 1104 B8R1.1 COC1COC(=O)O1 34a_100138415774_100000032252 [1,1,0,0,0,0|2,0,0]=4 1105 B8R1.1 CSC1COC(=O)O1 62a_200000210301_100000032252 [1,1,0,0,0,0|2,0,0]=4 1106 B8R1.1 [13CH3]NC1CNC(=O)C1 2230a_100000697751_200025704644 [1,1,0,0,0,0|1,0,1]=4 1107 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [1,1,0,0,0,0|0,0,1]=3 1108 B8R1.1 [13CH3]OC1CNC(=O)C1 34a_100000690082_200025704644 [1,1,0,0,0,0|1,0,1]=4 1109 B8R1.1 [13CH3]SC1COC(=O)O1 62a_200025704644_100000032252 [1,1,0,0,0,0|2,0,0]=4 1110 B8R1.11 CNC1CCCC1=O 2230a_106832991635_100000211823 [1,1,0,0,0,0|0,0,1]=3 1111 B8R1.11 CNC1CCCC1=O 34a_100102657272_100000709159 [1,1,0,0,0,0|0,0,1]=3 1112 B8R1.11 CNC1CCCC1=O 7a_106832991635_100000211823 [1,1,0,0,0,0|0,0,1]=3 1113 B8R1.11 CNC1CCNC1=O 2230a_100016995588_200000210301 [1,1,0,0,0,0|1,0,0]=3 1114 B8R1.11 CNC1CCNC1=O 34a_100016995588_200000210301 [1,1,0,0,0,0|1,0,0]=3 1115 B8R1.11 CNC1CCOC1=O 2230a_106832991635_100000211211 [1,1,0,0,0,0|1,0,0]=3 1116 B8R1.11 CNC1CCOC1=O 34a_100102657272_100000211211 [1,1,0,0,0,0|1,0,0]=3 1117 B8R1.11 CNC1CCOC1=O 7a_106832991635_100000211211 [1,1,0,0,0,0|1,0,0]=3 1118 B8R1.11 CN[C@@H]1CONC1=O 2230a_100000765999_200000210301 [1,1,0,0,0,0|2,0,0]=4 1119 B8R1.11 CN[C@@H]1CONC1=O 34a_100000765999_200000210301 [1,1,0,0,0,0|2,0,0]=4 1120 B8R1.11 COC1CCCC1=O 34a_100138415774_100000709159 [1,1,0,0,0,0|0,0,1]=3 1121 B8R1.11 COC1CCCC1=O 34a_200000719330_200000210301 [1,1,0,0,0,0|0,0,1]=3 1122 B8R1.11 COC1CCOC1=O 34a_100138415774_100000211211 [1,1,0,0,0,0|1,0,0]=3 1123 B8R1.11 CO[C@H]1CCNC1=O 34a_100000688343_200000210301 [1,1,0,0,0,0|1,0,0]=3 1124 B8R1.11 CSC1CCCC1=O 62a_100000211823_200000210301 [1,1,0,0,0,0|0,0,1]=3 1125 B8R1.11 CSC1CCCC1=O 62a_200000210301_100000211823 [1,1,0,0,0,0|0,0,1]=3 1126 B8R1.11 CSC1CCOC1=O 62a_100000211211_200000210301 [1,1,0,0,0,0|1,0,0]=3 1127 B8R1.11 CSC1CCOC1=O 62a_200000210301_100000211211 [1,1,0,0,0,0|1,0,0]=3 1128 B8R1.11 [13CH3]NC1CCNC1=O 2230a_100016995588_200025704644 [1,1,0,0,0,0|1,0,0]=3 1129 B8R1.11 [13CH3]NC1CCNC1=O 34a_100016995588_200025704644 [1,1,0,0,0,0|1,0,0]=3 1130 B8R1.11 [13CH3]N[C@@H]1CONC1=O 2230a_100000765999_200025704644 [1,1,0,0,0,0|2,0,0]=4 1131 B8R1.11 [13CH3]N[C@@H]1CONC1=O 34a_100000765999_200025704644 [1,1,0,0,0,0|2,0,0]=4 1132 B8R1.11 [13CH3]OC1CCCC1=O 34a_200000719330_200025704644 [1,1,0,0,0,0|0,0,1]=3 1133 B8R1.11 [13CH3]O[C@H]1CCNC1=O 34a_100000688343_200025704644 [1,1,0,0,0,0|1,0,0]=3 1134 B8R1.11 [13CH3]SC1CCCC1=O 62a_100000211823_200025704644 [1,1,0,0,0,0|0,0,1]=3 1135 B8R1.11 [13CH3]SC1CCCC1=O 62a_200025704644_100000211823 [1,1,0,0,0,0|0,0,1]=3 1136 B8R1.11 [13CH3]SC1CCOC1=O 62a_100000211211_200025704644 [1,1,0,0,0,0|1,0,0]=3 1137 B8R1.11 [13CH3]SC1CCOC1=O 62a_200025704644_100000211211 [1,1,0,0,0,0|1,0,0]=3 1138 B10R1.119 CC1C(=O)N(CCN1C)C 2230a_100000708691_200000210301 [0,1,0,0,0,1|2,0,0]=4 1139 B10R1.119 CC1C(=O)N(CCN1C)C 269982a_100000708691_200000210301 [0,1,0,0,0,1|2,0,0]=4 1140 B10R1.119 CC1C(=O)N(CCN1C)C 34a_100000708691_200000210301 [0,1,0,0,0,1|2,0,0]=4 1141 B10R1.119 CC1C(=O)N(CCN1[13CH3])C 2230a_100000708691_200025704644 [0,1,0,0,0,1|2,0,0]=4 1142 B10R1.119 CC1C(=O)N(CCN1[13CH3])C 269982a_100000708691_200025704644 [0,1,0,0,0,1|2,0,0]=4 1143 B10R1.119 CC1C(=O)N(CCN1[13CH3])C 34a_100000708691_200025704644 [0,1,0,0,0,1|2,0,0]=4 1144 B10R1.25 CNC1CCC(=O)NC1=O 2230a_100000691121_200000210301 [0,1,0,0,0,1|0,0,0]=2 1145 B10R1.25 CNC1CCC(=O)NC1=O 2230a_106832991635_100000694648 [0,1,0,0,0,1|0,0,0]=2 1146 B10R1.25 CNC1CCC(=O)NC1=O 34a_100000691121_200000210301 [0,1,0,0,0,1|0,0,0]=2 1147 B10R1.25 CNC1CCC(=O)NC1=O 7a_106832991635_100000694648 [0,1,0,0,0,1|0,0,0]=2 1148 B10R1.25 CSC1CCC(=O)NC1=O 62a_100000694648_200000210301 [0,1,0,0,0,1|0,0,0]=2 1149 B10R1.25 CSC1CCC(=O)NC1=O 62a_200000210301_100000694648 [0,1,0,0,0,1|0,0,0]=2 1150 B10R1.25 [13CH3]NC1CCC(=O)NC1=O 2230a_100000691121_200025704644 [0,1,0,0,0,1|0,0,0]=2 1151 B10R1.25 [13CH3]NC1CCC(=O)NC1=O 34a_100000691121_200025704644 [0,1,0,0,0,1|0,0,0]=2 1152 B10R1.25 [13CH3]SC1CCC(=O)NC1=O 62a_100000694648_200025704644 [0,1,0,0,0,1|0,0,0]=2 1153 B10R1.25 [13CH3]SC1CCC(=O)NC1=O 62a_200025704644_100000694648 [0,1,0,0,0,1|0,0,0]=2 1154 B10R1.176 CN1CC(CCC1=O)N[13CH3] 2230a_100011935005_200025704644 [0,1,0,0,0,1|2,0,0]=4 1155 B10R1.176 CN1CC(CCC1=O)N[13CH3] 34a_100011935005_200025704644 [0,1,0,0,0,1|2,0,0]=4 1156 B10R1.176 CN1CCC(CC1=O)N[13CH3] 2230a_100000126938_200025704644 [0,1,0,0,0,1|2,0,0]=4 1157 B10R1.176 CN1CCC(CC1=O)N[13CH3] 34a_100000126938_200025704644 [0,1,0,0,0,1|2,0,0]=4 1158 B10R1.176 CNC1CCC(=O)N(C1)C 2230a_100011935005_200000210301 [0,1,0,0,0,1|2,0,0]=4 1159 B10R1.176 CNC1CCC(=O)N(C1)C 34a_100011935005_200000210301 [0,1,0,0,0,1|2,0,0]=4 1160 B10R1.176 CNC1CCN(C(=O)C1)C 2230a_100000126938_200000210301 [0,1,0,0,0,1|2,0,0]=4 1161 B10R1.176 CNC1CCN(C(=O)C1)C 34a_100000126938_200000210301 [0,1,0,0,0,1|2,0,0]=4 1162 B10R1.94 CCNC1CCN(C1=O)C 2230a_100015525214_100000755940 [0,2,0,0,0,0|2,0,0]=4 1163 B10R1.94 CCOC1CCN(C1=O)C 34a_100121572206_100000755940 [0,2,0,0,0,0|2,0,0]=4 1164 B10R1.94 CCSC1CCN(C1=O)C 62a_100000210202_100000755940 [0,2,0,0,0,0|2,0,0]=4 1165 B10R1.94 CCSC1CCN(C1=O)C 62a_100000755940_100000210202 [0,2,0,0,0,0|2,0,0]=4 1166 B10R1.94 CN1CCC(C1=O)CO[13CH3] 34a_100009823153_200025704644 [0,2,0,0,0,0|2,0,0]=4 1167 B10R1.94 CN1CCC(C1=O)SCF 62a_100000755940_100015361967 [0,2,0,0,0,0|2,0,0]=4 1168 B10R1.94 CN1CCC(C1=O)SCF 62a_100015361967_100000755940 [0,2,0,0,0,0|2,0,0]=4 1169 B10R1.94 COCC1CCN(C1=O)C 34a_100009823153_200000210301 [0,2,0,0,0,0|2,0,0]=4 1170 B10R1.194 CC(=O)C1CCN(C1=O)C 1458a_100000070787_100000755940 [0,2,0,0,0,0|1,0,1]=4 1171 B10R1.194 CC(=O)C1CCN(C1=O)C 1458a_100000137746_200000210301 [0,2,0,0,0,0|1,0,1]=4 1172 B10R1.194 CC(=O)[C@H]1CCC(=O)N1C 1458a_100010979499_200000210301 [0,2,0,0,0,0|2,0,0]=4 1173 B10R1.194 CN1C(=O)CC[C@@H]1C(=O)[13CH3] 1458a_100010979499_200025704644 [0,2,0,0,0,0|2,0,0]=4 1174 B10R1.194 CN1CCC(C1=O)C(=O)[13CH3] 1458a_100000137746_200025704644 [0,2,0,0,0,0|1,0,1]=4 1175 B10R1.194 CN1CCC(C1=O)N(C)C 2230a_100102631434_100000755940 [0,2,0,0,0,0|2,0,0]=4 1176 B10R1.194 CN1CCC(C1=O)N(C)C 269982a_100102631434_100000755940 [0,2,0,0,0,0|2,0,0]=4 1177 B8R1.38 C#CC(=O)C1CCC1 1458a_100000211873_100000749161 [0,0,1,1,0,0|1,0,1]=4 1178 B8R1.38 C=CC(=O)C1CCC1 1458a_100000185746_100000749161 [0,0,1,1,0,0|1,0,0]=3 1179 B8R1.38 C=CC(=O)C1COC1 1458a_100000185746_100000687716 [0,0,1,1,0,0|2,0,0]=4 1180 B8R1.38 C=CC(=O)N1CCC1 240690a_100000754969_200121576911 [0,0,1,1,0,0|2,0,0]=4 1181 B8R1.38 CCC(=O)C1CCC1 1458a_100000209988_100000210202 [0,0,1,1,0,0|1,0,1]=4 1182 B8R1.38 CCC(=O)C1CCC1 1458a_100000210414_100000749161 [0,0,1,1,0,0|1,0,1]=4 1183 B8R1.38 CNC(=O)C1CCC1 11a_106832991635_100000209988 [0,0,1,1,0,0|2,0,0]=4 1184 B8R1.38 CNC(=O)C1CCC1 1626a_100102657272_100000209988 [0,0,1,1,0,0|2,0,0]=4 1185 B8R1.38 CNC(=O)C1CCC1 240690a_100102657272_100000209988 [0,0,1,1,0,0|2,0,0]=4 1186 B8R1.38 CNC(=O)C1CCC1 527a_100102657272_100000209988 [0,0,1,1,0,0|2,0,0]=4 1187 B8R1.38 O=C(CF)C1CCC1 1458a_100000209988_100015361967 [0,0,1,1,0,0|1,0,1]=4 1188 B8R1.38 O=C(CO)C1CCC1 1458a_100000210174_100000749161 [0,0,1,1,0,0|0,0,2]=4 1189 B8R1.40 C#CC(=O)CC1CC1 1458a_100000211873_100000742324 [0,0,1,1,0,0|1,0,1]=4 1190 B8R1.40 C=CC(=O)CC1CC1 1458a_100000185746_100000742324 [0,0,1,1,0,0|1,0,0]=3 1191 B8R1.40 C=CC(=O)CC1CO1 1458a_100000185746_100011216344 [0,0,1,1,0,0|2,0,0]=4 1192 B8R1.40 C=CC(=O)CC1CS1 1458a_100000185746_100000031435 [0,0,1,1,0,0|2,0,0]=4 1193 B8R1.40 C=CC(=O)C[C@@H]1CO1 1458a_100000185746_100000745022 [0,0,1,1,0,0|2,0,0]=4 1194 B8R1.40 C=CC(=O)NC1CC1 1626a_100000212008_100000185746 [0,0,1,1,0,0|2,0,0]=4 1195 B8R1.40 C=CC(=O)NC1CC1 240690a_100000212008_200121576911 [0,0,1,1,0,0|2,0,0]=4 1196 B8R1.40 CCC(=O)CC1CC1 1458a_100000210414_100000742324 [0,0,1,1,0,0|1,0,1]=4 1197 B8R1.40 CCC(=O)CC1CC1 1458a_100000738066_100000210202 [0,0,1,1,0,0|1,0,1]=4 1198 B8R1.40 CNC(=O)CC1CC1 11a_106832991635_100000738066 [0,0,1,1,0,0|2,0,0]=4 1199 B8R1.40 CNC(=O)CC1CC1 1626a_100102657272_100000738066 [0,0,1,1,0,0|2,0,0]=4 1200 B8R1.40 CNC(=O)CC1CC1 240690a_100102657272_100000738066 [0,0,1,1,0,0|2,0,0]=4 1201 B8R1.40 CNC(=O)CC1CC1 527a_100102657272_100000738066 [0,0,1,1,0,0|2,0,0]=4 1202 B8R1.40 O=C(CF)CC1CC1 1458a_100000738066_100015361967 [0,0,1,1,0,0|1,0,1]=4 1203 B8R1.40 O=C(CO)CC1CC1 1458a_100000210174_100000742324 [0,0,1,1,0,0|0,0,2]=4 1204 B8R1.83 CC1CC1C(=O)CF 1458a_100000211227_100015361967 [0,0,1,1,0,0|1,0,1]=4 1205 B8R1.83 CCC(=O)C1CC1C 1458a_100000211227_100000210202 [0,0,1,1,0,0|1,0,1]=4 1206 B8R1.83 CNC(=O)C1CC1C 11a_106832991635_100000211227 [0,0,1,1,0,0|2,0,0]=4 1207 B8R1.83 CNC(=O)C1CC1C 1626a_100102657272_100000211227 [0,0,1,1,0,0|2,0,0]=4 1208 B8R1.83 CNC(=O)C1CC1C 527a_100102657272_100000211227 [0,0,1,1,0,0|2,0,0]=4 1209 B8R1.39 CC1(CC1)C(=O)CF 1458a_100000756474_100015361967 [0,0,1,1,0,0|1,0,1]=4 1210 B8R1.39 CCC(=O)C1(CC1)C 1458a_100000756474_100000210202 [0,0,1,1,0,0|1,0,1]=4 1211 B8R1.39 CCC(=O)C1(CC1)F 1458a_100000055089_100000210202 [0,0,1,1,0,0|1,0,1]=4 1212 B8R1.39 CCC(=O)C1(CC1)O 1458a_100000241761_100000210202 [0,0,1,1,0,0|0,0,2]=4 1213 B8R1.39 CNC(=O)C1(CC1)C 11a_106832991635_100000756474 [0,0,1,1,0,0|2,0,0]=4 1214 B8R1.39 CNC(=O)C1(CC1)C 1626a_100102657272_100000756474 [0,0,1,1,0,0|2,0,0]=4 1215 B8R1.39 CNC(=O)C1(CC1)C 240690a_100102657272_100000756474 [0,0,1,1,0,0|2,0,0]=4 1216 B8R1.39 CNC(=O)C1(CC1)C 527a_100102657272_100000756474 [0,0,1,1,0,0|2,0,0]=4 1217 B8R1.31 CC(=O)N1CCC1C 11a_100000755817_100015343762 [0,0,1,1,0,0|2,0,0]=4 1218 B8R1.31 CC(=O)N1CCC1C 240690a_100000755817_100015343762 [0,0,1,1,0,0|2,0,0]=4 1219 B8R1.31 CC(=O)N1CCC1C 527a_100000755817_100103153847 [0,0,1,1,0,0|2,0,0]=4 1220 B8R1.54 CC(=O)N(C)C1CC1 11a_100000226674_100015343762 [0,0,1,1,0,0|2,0,0]=4 1221 B8R1.54 CC(=O)N(C)C1CC1 1626a_100000226674_100015343762 [0,0,1,1,0,0|2,0,0]=4 1222 B8R1.54 CC(=O)N(C)C1CC1 240690a_100000226674_100015343762 [0,0,1,1,0,0|2,0,0]=4 1223 B8R1.54 CC(=O)N(C)C1CC1 527a_100000226674_100103153847 [0,0,1,1,0,0|2,0,0]=4 1224 B8R1.54 CC(C)C(=O)C1CC1 1458a_100000210395_100000210206 [0,0,1,1,0,0|1,0,1]=4 1225 B8R1.54 CC(C)C(=O)C1CO1 1458a_100000701028_100000210206 [0,0,1,1,0,0|0,0,2]=4 1226 B8R1.54 CN(C)C(=O)C1CC1 11a_100102631434_100000210395 [0,0,1,1,0,0|2,0,0]=4 1227 B8R1.54 CN(C)C(=O)C1CC1 1626a_100102631434_100000210395 [0,0,1,1,0,0|2,0,0]=4 1228 B8R1.54 CN(C)C(=O)C1CC1 240690a_100102631434_100000210395 [0,0,1,1,0,0|2,0,0]=4 1229 B8R1.54 CN(C)C(=O)C1CC1 527a_100102631434_100000210395 [0,0,1,1,0,0|2,0,0]=4 1230 B8R1.77 CC(=O)[C@H]1CC1(C)C 1458a_100000692687_200000210301 [0,0,1,1,0,0|1,0,1]=4 1231 B8R1.77 CC1(C[C@@H]1C(=O)[13CH3])C 1458a_100000692687_200025704644 [0,0,1,1,0,0|1,0,1]=4 1232 B6R1.4 CC1CCN1C 269982a_100000755817_200000210301 [1,0,0,0,1,0|2,0,0]=4 1233 B6R1.4 CC1CCN1C 34a_100000755817_200000210301 [1,0,0,0,1,0|2,0,0]=4 1234 B6R1.4 CC1CCN1[13CH3] 269982a_100000755817_200025704644 [1,0,0,0,1,0|2,0,0]=4 1235 B6R1.4 CC1CCN1[13CH3] 34a_100000755817_200025704644 [1,0,0,0,1,0|2,0,0]=4 1236 B8R0.23 C=C(Br)C(=O)NC(C)C 11a_100138425928_100009813364 [0,0,1,0,0,1|1,0,1]=4 1237 B8R0.23 C=C(Br)C(=O)NC(C)C 1626a_100138425928_100009813364 [0,0,1,0,0,1|1,0,1]=4 1238 B8R0.23 C=C(C)C(=O)CC(C)C 1458a_100000185857_100000210624 [0,0,1,0,0,1|1,0,0]=3 1239 B8R0.23 C=C(C)C(=O)CC(C)O 1458a_100000185857_100011218427 [0,0,1,0,0,1|2,0,0]=4 1240 B8R0.23 C=C(C)C(=O)NC(C)C 11a_100138425928_100000185857 [0,0,1,0,0,1|1,0,0]=3 1241 B8R0.23 C=C(C)C(=O)NC(C)C 1626a_100138425928_100000185857 [0,0,1,0,0,1|1,0,0]=3 1242 B8R0.23 C=C(C)CC(=O)C(C)C 1458a_100000210198_100000748629 [0,0,1,0,0,1|1,0,0]=3 1243 B8R0.23 C=C(C)CC(=O)C(C)F 1458a_100000062450_100000748629 [0,0,1,0,0,1|2,0,0]=4 1244 B8R0.23 C=C(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000748629 [0,0,1,0,0,1|2,0,0]=4 1245 B8R0.23 C=C(C)CC(=O)[C@H](C)O 1458a_217856618621_100000748629 [0,0,1,0,0,1|2,0,0]=4 1246 B8R0.23 C=C(Cl)C(=O)NC(C)C 11a_100138425928_100000039160 [0,0,1,0,0,1|1,0,1]=4 1247 B8R0.23 C=C(Cl)C(=O)NC(C)C 1626a_100138425928_100000039160 [0,0,1,0,0,1|1,0,1]=4 1248 B8R0.23 C=C(F)C(=O)NC(C)C 11a_100138425928_100000036797 [0,0,1,0,0,1|1,0,1]=4 1249 B8R0.23 C=C(F)C(=O)NC(C)C 1626a_100138425928_100000036797 [0,0,1,0,0,1|1,0,1]=4 1250 B8R0.23 C=C(F)CC(=O)C(C)C 1458a_100000210198_100009893438 [0,0,1,0,0,1|1,0,1]=4 1251 B8R0.23 CC(=CC(=O)C(C)C)C 1458a_100000211388_100000210206 [0,0,1,0,0,1|1,0,0]=3 1252 B8R0.23 CC(=CC(=O)C(C)C)Cl 1458a_200042562850_100000210206 [0,0,1,0,0,1|1,0,0]=3 1253 B8R0.23 CC(=CC(=O)C(C)C)I 1458a_100025716642_100000210206 [0,0,1,0,0,1|1,0,0]=3 1254 B8R0.23 CC(=CC(=O)N(C)C)C 11a_100102631434_100000211388 [0,0,1,0,0,1|2,0,0]=4 1255 B8R0.23 CC(=CC(=O)N(C)C)C 1626a_100102631434_100000211388 [0,0,1,0,0,1|2,0,0]=4 1256 B8R0.23 CC(=CC(=O)N(C)C)C 240690a_100102631434_100000211388 [0,0,1,0,0,1|2,0,0]=4 1257 B8R0.23 CC(=CC(=O)N(C)C)Cl 11a_100102631434_200042562850 [0,0,1,0,0,1|2,0,0]=4 1258 B8R0.23 CC(=CC(=O)N(C)C)Cl 1626a_100102631434_200042562850 [0,0,1,0,0,1|2,0,0]=4 1259 B8R0.23 CC(=CC(=O)N(C)C)Cl 240690a_100102631434_200042562850 [0,0,1,0,0,1|2,0,0]=4 1260 B8R0.23 CC(=CC(=O)N(C)C)I 11a_100102631434_100025716642 [0,0,1,0,0,1|2,0,0]=4 1261 B8R0.23 CC(=CC(=O)N(C)C)I 1626a_100102631434_100025716642 [0,0,1,0,0,1|2,0,0]=4 1262 B8R0.23 CC(=O)C(=O)CN(C)C 269982a_100102631434_100011261029 [0,0,1,0,0,1|1,0,0]=3 1263 B8R0.23 CC(=O)C(=O)NC(C)C 1458a_100011220036_200000210301 [0,0,1,0,0,1|0,0,0]=2 1264 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [0,0,1,0,0,1|1,0,1]=4 1265 B8R0.23 CC(=O)C(C)NC(C)C 2230a_100138425928_100009814033 [0,0,1,0,0,1|1,0,1]=4 1266 B8R0.23 CC(=O)C(C)OC(C)C 34a_100000212229_100000210206 [0,0,1,0,0,1|1,0,1]=4 1267 B8R0.23 CC(=O)C(C)SC(C)C 62a_100000210206_100009814033 [0,0,1,0,0,1|1,0,1]=4 1268 B8R0.23 CC(=O)C(C)SC(C)C 62a_100009814033_100000210206 [0,0,1,0,0,1|1,0,1]=4 1269 B8R0.23 CC(=O)CC(=O)C(=O)C 1458a_100000070787_100011261029 [0,0,1,0,0,1|1,0,1]=4 1270 B8R0.23 CC(=O)CC(=O)C(C)C 1458a_100000070787_100000753385 [0,0,1,0,0,1|0,0,0]=2 1271 B8R0.23 CC(=O)CC(=O)N(C)C 1458a_100000070787_100000185267 [0,0,1,0,0,1|1,0,0]=3 1272 B8R0.23 CC(=O)CN(C)C(C)C 1458a_100000743827_200000210301 [0,0,1,0,0,1|2,0,0]=4 1273 B8R0.23 CC(=O)N(C)CC(C)C 11a_100000747067_100015343762 [0,0,1,0,0,1|2,0,0]=4 1274 B8R0.23 CC(=O)N(C)CC(C)C 1626a_100000747067_100015343762 [0,0,1,0,0,1|2,0,0]=4 1275 B8R0.23 CC(=O)N(C)CC(C)C 240690a_100000747067_100015343762 [0,0,1,0,0,1|2,0,0]=4 1276 B8R0.23 CC(=O)N(C)CC(C)C 527a_100000747067_100103153847 [0,0,1,0,0,1|2,0,0]=4 1277 B8R0.23 CC(=O)NC(C)C(C)C 11a_100000211541_100015343762 [0,0,1,0,0,1|1,0,1]=4 1278 B8R0.23 CC(=O)NC(C)C(C)C 1626a_100000211541_100015343762 [0,0,1,0,0,1|1,0,1]=4 1279 B8R0.23 CC(=O)NC(C)C(C)C 240690a_100000211541_100015343762 [0,0,1,0,0,1|1,0,1]=4 1280 B8R0.23 CC(=O)NC(C)C(C)C 527a_100000211541_100103153847 [0,0,1,0,0,1|1,0,1]=4 1281 B8R0.23 CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_200000210301 [0,0,1,0,0,1|0,0,2]=4 1282 B8R0.23 CC(C)C(=O)C=C(Cl)Cl 1458a_100000137448_100000210206 [0,0,1,0,0,1|2,0,0]=4 1283 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100000210198_100000187820 [0,0,1,0,0,1|1,0,0]=3 1284 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100134613110_100000210206 [0,0,1,0,0,1|1,0,0]=3 1285 B8R0.23 CC(C)C(=O)CC(=O)[O-] 1458a_100000210198_100020667443 [0,0,1,0,0,1|1,0,0]=3 1286 B8R0.23 CC(C)C(=O)CN(C)C 1458a_100000750896_100000210206 [0,0,1,0,0,1|2,0,0]=4 1287 B8R0.23 CC(C)C(=O)CN(C)C 2230a_100102631434_100000753385 [0,0,1,0,0,1|2,0,0]=4 1288 B8R0.23 CC(C)C(=O)CN(C)C 269982a_100102631434_100000753385 [0,0,1,0,0,1|2,0,0]=4 1289 B8R0.23 CC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000210206 [0,0,1,0,0,1|0,0,2]=4 1290 B8R0.23 CC(C)C(=O)C[N+](=O)[O-] 1458a_100000210198_100000761209 [0,0,1,0,0,1|2,0,0]=4 1291 B8R0.23 CC(C)C(=O)C[S+](C)C 1458a_200159257847_100000210206 [0,0,1,0,0,1|2,0,0]=4 1292 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210198_100000210624 [0,0,1,0,0,1|1,0,1]=4 1293 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210554_100000210206 [0,0,1,0,0,1|1,0,1]=4 1294 B8R0.23 CC(C)CC(=O)C(C)F 1458a_100000062450_100000210624 [0,0,1,0,0,1|1,0,1]=4 1295 B8R0.23 CC(C)CC(=O)N(C)C 11a_100102631434_100000210554 [0,0,1,0,0,1|2,0,0]=4 1296 B8R0.23 CC(C)CC(=O)N(C)C 1626a_100102631434_100000210554 [0,0,1,0,0,1|2,0,0]=4 1297 B8R0.23 CC(C)CC(=O)N(C)C 240690a_100102631434_100000210554 [0,0,1,0,0,1|2,0,0]=4 1298 B8R0.23 CC(C)CC(=O)N(C)C 527a_100102631434_100000210554 [0,0,1,0,0,1|2,0,0]=4 1299 B8R0.23 CC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000210624 [0,0,1,0,0,1|0,0,2]=4 1300 B8R0.23 CC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000210624 [0,0,1,0,0,1|0,0,2]=4 1301 B8R0.23 CC(C)C[C@H](O)C(=O)[13CH3] 1458a_100012027011_200025704644 [0,0,1,0,0,1|0,0,2]=4 1302 B8R0.23 CC(C)N(C)CC(=O)[13CH3] 1458a_100000743827_200025704644 [0,0,1,0,0,1|2,0,0]=4 1303 B8R0.23 CC(C)NC(=O)C(=O)N 240690a_100138425928_100011215815 [0,0,1,0,0,1|1,0,0]=3 1304 B8R0.23 CC(C)NC(=O)C(=O)[13CH3] 1458a_100011220036_200025704644 [0,0,1,0,0,1|0,0,0]=2 1305 B8R0.23 CC(C)NC(=O)C(C)C 11a_100138425928_100000210198 [0,0,1,0,0,1|1,0,1]=4 1306 B8R0.23 CC(C)NC(=O)C(C)C 1626a_100138425928_100000210198 [0,0,1,0,0,1|1,0,1]=4 1307 B8R0.23 CC(C)NC(=O)C(C)C 240690a_100138425928_100000210198 [0,0,1,0,0,1|1,0,1]=4 1308 B8R0.23 CC(C)NC(=O)C(C)C 527a_100138425928_100000210198 [0,0,1,0,0,1|1,0,1]=4 1309 B8R0.23 CC(C)NC(=O)C(C)F 11a_100138425928_100000062450 [0,0,1,0,0,1|1,0,1]=4 1310 B8R0.23 CC(C)NC(=O)C(C)F 1626a_100138425928_100000062450 [0,0,1,0,0,1|1,0,1]=4 1311 B8R0.23 CC(C)NC(=O)C(C)F 240690a_100138425928_100000062450 [0,0,1,0,0,1|1,0,1]=4 1312 B8R0.23 CC(C)NC(=O)C(C)F 527a_100138425928_100000062450 [0,0,1,0,0,1|1,0,1]=4 1313 B8R0.23 CC(C)NC(=O)N(C)C 2708a_100138425928_100102631434 [0,0,1,0,0,1|2,0,0]=4 1314 B8R0.23 CC(C)NC(=O)[C@@H](C)O 240690a_100138425928_100000717761 [0,0,1,0,0,1|0,0,2]=4 1315 B8R0.23 CC(C)NC(=O)[C@H](C)O 1626a_100138425928_217856618621 [0,0,1,0,0,1|0,0,2]=4 1316 B8R0.23 CC(C)NC(=O)[C@H](C)O 240690a_100138425928_217856618621 [0,0,1,0,0,1|0,0,2]=4 1317 B8R0.23 CC(F)C(=O)CC(=O)N 1458a_100000062450_100000187820 [0,0,1,0,0,1|2,0,0]=4 1318 B8R0.23 CC(F)C(=O)CC(=O)[O-] 1458a_100000062450_100020667443 [0,0,1,0,0,1|2,0,0]=4 1319 B8R0.23 CC(O)CC(=O)C(C)C 1458a_100000210198_100011218427 [0,0,1,0,0,1|0,0,2]=4 1320 B8R0.23 CN(C)C(=O)CC(=O)N 240690a_100102631434_100134613110 [0,0,1,0,0,1|2,0,0]=4 1321 B8R0.23 CN(C)C(=O)CC(=O)N 527a_100102631434_100134613110 [0,0,1,0,0,1|2,0,0]=4 1322 B8R0.23 C[C@@H](O)C(=O)CC(=O)N 1458a_100000717761_100000187820 [0,0,1,0,0,1|2,0,0]=4 1323 B8R0.23 C[C@@H](O)C(=O)CC(=O)[O-] 1458a_100000717761_100020667443 [0,0,1,0,0,1|2,0,0]=4 1324 B8R0.23 C[C@H](O)C(=O)CC(=O)N 1458a_217856618621_100000187820 [0,0,1,0,0,1|2,0,0]=4 1325 B8R0.23 C[C@H](O)C(=O)CC(=O)[O-] 1458a_217856618621_100020667443 [0,0,1,0,0,1|2,0,0]=4 1326 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [1,0,0,0,0,1|1,0,1]=4 1327 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [1,0,0,0,0,1|1,0,1]=4 1328 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [1,0,0,0,0,1|1,0,1]=4 1329 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [1,0,0,0,0,1|1,0,1]=4