0 B7R0.3 C#CC(=O)C/C=C/C 1458a_100000211873_100102629194 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.3 C#CC(=O)CC#CC 1458a_100000211873_100000748600 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.3 C#CC(=O)CC=CC 1458a_100000211873_100000070051 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.3 C#CC(=O)CCC#N 1458a_100000211873_100011215226 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.3 C#CC(=O)CCC=C 1458a_100000211873_100000754431 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.3 C#CC(=O)CCCF 1458a_100000211873_100011934791 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.3 C#CC(=O)CCCO 1458a_100000211873_100011215043 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.3 C#CC(=O)CCOC 1458a_100000211873_100000233755 [0,0,0,0,0,0|1,1,1]=3 9 B7R0.3 C#CC(=O)CCSC 1458a_100000211873_100000751147 [0,0,0,0,0,0|1,0,1]=2 10 B7R0.3 C#CCCC(=O)C#C 1458a_100000211873_100000753159 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.3 C#CCCC(=O)C=C 1458a_100000185746_100000753159 [0,0,0,0,0,0|2,0,2]=4 12 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [0,0,0,0,0,0|2,0,1]=3 13 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [0,0,0,0,0,0|2,0,1]=3 14 B7R0.3 C#CCCC(=O)CF 1458a_100000692101_100015361967 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.3 C#CCCC(=O)CO 1458a_100000210174_100000753159 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.3 C#CCCC(=O)NC 11a_106832991635_100000692101 [0,0,0,0,0,0|2,0,1]=3 17 B7R0.3 C#CCCC(=O)NC 1626a_100102657272_100000692101 [0,0,0,0,0,0|2,0,1]=3 18 B7R0.3 C#CCCC(=O)NC 240690a_100102657272_100000692101 [0,0,0,0,0,0|2,0,1]=3 19 B7R0.3 C#CCCC(=O)NC 527a_100102657272_100000692101 [0,0,0,0,0,0|2,0,1]=3 20 B7R0.3 C#CCNC(=O)CC 11a_100000212058_100000210414 [0,0,0,0,0,0|3,0,1]=4 21 B7R0.3 C#CCNC(=O)CC 1626a_100000212058_100000210414 [0,0,0,0,0,0|3,0,1]=4 22 B7R0.3 C#CCNC(=O)CC 240690a_100000212058_100000210414 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.3 C#CCNC(=O)CC 527a_100000212058_100000210414 [0,0,0,0,0,0|3,0,1]=4 24 B7R0.3 C#CCNC(=O)NC 2708a_100000212058_106832991635 [0,0,0,0,0,0|3,0,1]=4 25 B7R0.3 C#CCNC(=O)NC 2708a_100102657272_100000212058 [0,0,0,0,0,0|3,0,1]=4 26 B7R0.3 C#CCNC(=O)NC 273464a_100000212058_100102657272 [0,0,0,0,0,0|3,0,1]=4 27 B7R0.3 C#CCNC(=O)NC 273464a_100102657272_100000212058 [0,0,0,0,0,0|3,0,1]=4 28 B7R0.3 C#CCNC(=O)NC 512a_100000212058_100102657272 [0,0,0,0,0,0|3,0,1]=4 29 B7R0.3 C#CCNC(=O)NC 512a_106832991638_100000212058 [0,0,0,0,0,0|3,0,1]=4 30 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [0,0,0,0,0,0|2,0,1]=3 31 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [0,0,0,0,0,0|3,0,1]=4 32 B7R0.3 C=CC(=O)C/C=C/C 1458a_100000185746_100102629194 [0,0,0,0,0,0|2,0,2]=4 33 B7R0.3 C=CC(=O)CC#CC 1458a_100000185746_100000748600 [0,0,0,0,0,0|2,0,2]=4 34 B7R0.3 C=CC(=O)CC=CC 1458a_100000185746_100000070051 [0,0,0,0,0,0|2,0,2]=4 35 B7R0.3 C=CC(=O)CCC#N 1458a_100000185746_100011215226 [0,0,0,0,0,0|3,0,1]=4 36 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [0,0,0,0,0,0|2,0,1]=3 37 B7R0.3 C=CC(=O)CCCF 1458a_100000185746_100011934791 [0,0,0,0,0,0|3,0,1]=4 38 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [0,0,0,0,0,0|3,0,1]=4 39 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [0,0,0,0,0,0|1,1,1]=3 40 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [0,0,0,0,0,0|1,0,1]=2 41 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [0,0,0,0,0,0|3,0,1]=4 42 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [0,0,0,0,0,0|3,0,1]=4 43 B7R0.3 C=CCCC(=O)C=C 1458a_100000185746_100000754431 [0,0,0,0,0,0|2,0,2]=4 44 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [0,0,0,0,0,0|2,0,1]=3 45 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [0,0,0,0,0,0|2,0,1]=3 46 B7R0.3 C=CCCC(=O)CF 1458a_100000749702_100015361967 [0,0,0,0,0,0|3,0,1]=4 47 B7R0.3 C=CCCC(=O)CO 1458a_100000210174_100000754431 [0,0,0,0,0,0|3,0,1]=4 48 B7R0.3 C=CCCC(=O)NC 11a_106832991635_100000749702 [0,0,0,0,0,0|2,0,1]=3 49 B7R0.3 C=CCCC(=O)NC 1626a_100102657272_100000749702 [0,0,0,0,0,0|2,0,1]=3 50 B7R0.3 C=CCCC(=O)NC 240690a_100102657272_100000749702 [0,0,0,0,0,0|2,0,1]=3 51 B7R0.3 C=CCCC(=O)NC 527a_100102657272_100000749702 [0,0,0,0,0,0|2,0,1]=3 52 B7R0.3 C=CCCC(C)OC 34a_100000765329_200000210301 [0,0,0,0,0,0|2,0,2]=4 53 B7R0.3 C=CCCC(C)OC 7a_100000765329_200000210301 [0,0,0,0,0,0|2,0,2]=4 54 B7R0.3 C=CCCC(C)O[13CH3] 34a_100000765329_200025704644 [0,0,0,0,0,0|2,0,2]=4 55 B7R0.3 C=CCCC(C)O[13CH3] 7a_100000765329_200025704644 [0,0,0,0,0,0|2,0,2]=4 56 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [0,0,0,0,0,0|3,0,1]=4 57 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [0,0,0,0,0,0|3,0,1]=4 58 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [0,0,0,0,0,0|3,0,1]=4 59 B7R0.3 C=CCNC(=O)NC 2708a_100102657272_100020586998 [0,0,0,0,0,0|3,0,1]=4 60 B7R0.3 C=CCNC(=O)NC 273464a_100020586998_100102657272 [0,0,0,0,0,0|3,0,1]=4 61 B7R0.3 C=CCNC(=O)NC 273464a_100102657272_100020586998 [0,0,0,0,0,0|3,0,1]=4 62 B7R0.3 C=CCNC(=O)NC 512a_100020586998_100102657272 [0,0,0,0,0,0|3,0,1]=4 63 B7R0.3 C=CCNC(=O)NC 512a_106832991638_100020586998 [0,0,0,0,0,0|3,0,1]=4 64 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [0,0,0,0,0,0|2,0,1]=3 65 B7R0.3 CC#CCC(=O)CO 1458a_100000210174_100000748600 [0,0,0,0,0,0|3,0,1]=4 66 B7R0.3 CC(CCCCl)O[13CH3] 34a_200000718107_200025704644 [0,0,0,0,0,0|3,0,1]=4 67 B7R0.3 CC(CCCCl)O[13CH3] 7a_200000718107_200025704644 [0,0,0,0,0,0|3,0,1]=4 68 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [0,0,0,0,0,0|2,0,1]=3 69 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [0,0,0,0,0,0|2,0,1]=3 70 B7R0.3 CC=CCC(=O)CF 1458a_100121576822_100015361967 [0,0,0,0,0,0|3,0,1]=4 71 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [0,0,0,0,0,0|3,0,1]=4 72 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [0,0,0,0,0,0|2,0,1]=3 73 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [0,0,0,0,0,0|2,0,1]=3 74 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [0,0,0,0,0,0|2,0,1]=3 75 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [0,0,0,0,0,0|2,0,1]=3 76 B7R0.3 CC=NNC(=O)CC 4a_100000183195_200000210099 [0,0,0,0,0,0|4,0,0]=4 77 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [0,0,0,0,0,0|2,0,2]=4 78 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [0,0,0,0,0,0|1,1,2]=4 79 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [0,0,0,0,0,0|3,0,0]=3 80 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [0,0,0,0,0,0|3,0,0]=3 81 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [0,0,0,0,0,0|3,0,0]=3 82 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [0,0,0,0,0,0|3,0,0]=3 83 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [0,0,0,0,0,0|1,1,0]=2 84 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [0,0,0,0,0,0|1,1,0]=2 85 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [0,0,0,0,0,0|1,0,0]=1 86 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [0,0,0,0,0,0|1,0,0]=1 87 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [0,0,0,0,0,0|4,0,0]=4 88 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [0,0,0,0,0,0|4,0,0]=4 89 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [0,0,0,0,0,0|4,0,0]=4 90 B7R0.3 CCC(=O)NCC#N 1626a_100000734998_100000210414 [0,0,0,0,0,0|4,0,0]=4 91 B7R0.3 CCC(=O)NCC#N 527a_100000734998_100000210414 [0,0,0,0,0,0|4,0,0]=4 92 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [0,0,0,0,0,0|4,0,0]=4 93 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [0,0,0,0,0,0|4,0,0]=4 94 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [0,0,0,0,0,0|4,0,0]=4 95 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [0,0,0,0,0,0|4,0,0]=4 96 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [0,0,0,0,0,0|4,0,0]=4 97 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [0,0,0,0,0,0|4,0,0]=4 98 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [0,0,0,0,0,0|3,0,1]=4 99 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [0,0,0,0,0,0|3,0,1]=4 100 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [0,0,0,0,0,0|2,1,1]=4 101 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [0,0,0,0,0,0|2,1,1]=4 102 B7R0.3 CCC(C)NCSC 2230a_100000209981_100011218213 [0,0,0,0,0,0|3,0,1]=4 103 B7R0.3 CCC(C)SCSC 62a_100000758301_100011218213 [0,0,0,0,0,0|3,0,1]=4 104 B7R0.3 CCC(C)SCSC 62a_100011218213_100000758301 [0,0,0,0,0,0|3,0,1]=4 105 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [0,0,0,0,0,0|2,0,2]=4 106 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [0,0,0,0,0,0|2,0,2]=4 107 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [0,0,0,0,0,0|2,0,2]=4 108 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [0,0,0,0,0,0|2,0,2]=4 109 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [0,0,0,0,0,0|2,0,0]=2 110 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [0,0,0,0,0,0|2,0,0]=2 111 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [0,0,0,0,0,0|3,0,0]=3 112 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [0,0,0,0,0,0|3,0,0]=3 113 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [0,0,0,0,0,0|2,0,0]=2 114 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [0,0,0,0,0,0|2,0,0]=2 115 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [0,0,0,0,0,0|2,0,0]=2 116 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [0,0,0,0,0,0|2,0,0]=2 117 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [0,0,0,0,0,0|3,0,1]=4 118 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [0,0,0,0,0,0|3,0,1]=4 119 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [0,0,0,0,0,0|3,0,1]=4 120 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [0,0,0,0,0,0|3,0,1]=4 121 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [0,0,0,0,0,0|3,0,1]=4 122 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [0,0,0,0,0,0|3,0,1]=4 123 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [0,0,0,0,0,0|2,0,1]=3 124 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [0,0,0,0,0,0|2,0,1]=3 125 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [0,0,0,0,0,0|2,0,1]=3 126 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [0,0,0,0,0,0|2,0,1]=3 127 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [0,0,0,0,0,0|2,0,1]=3 128 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [0,0,0,0,0,0|2,1,1]=4 129 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [0,0,0,0,0,0|2,1,1]=4 130 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [0,0,0,0,0,0|2,1,1]=4 131 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [0,0,0,0,0,0|2,1,1]=4 132 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [0,0,0,0,0,0|4,0,0]=4 133 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [0,0,0,0,0,0|4,0,0]=4 134 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [0,0,0,0,0,0|4,0,0]=4 135 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [0,0,0,0,0,0|4,0,0]=4 136 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [0,0,0,0,0,0|4,0,0]=4 137 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [0,0,0,0,0,0|4,0,0]=4 138 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [0,0,0,0,0,0|4,0,0]=4 139 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [0,0,0,0,0,0|4,0,0]=4 140 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [0,0,0,0,0,0|3,0,0]=3 141 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [0,0,0,0,0,0|3,0,0]=3 142 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [0,0,0,0,0,0|3,0,0]=3 143 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [0,0,0,0,0,0|3,0,0]=3 144 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [0,0,0,0,0,0|4,0,0]=4 145 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [0,0,0,0,0,0|4,0,0]=4 146 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [0,0,0,0,0,0|3,0,0]=3 147 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [0,0,0,0,0,0|3,0,0]=3 148 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [0,0,0,0,0,0|3,0,0]=3 149 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [0,0,0,0,0,0|3,0,0]=3 150 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [0,0,0,0,0,0|3,0,0]=3 151 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [0,0,0,0,0,0|3,0,0]=3 152 B7R0.3 CCCSC(C)OC 62a_100000210303_100009879195 [0,0,0,0,0,0|3,0,1]=4 153 B7R0.3 CCCSC(C)OC 62a_100009879195_100000210303 [0,0,0,0,0,0|3,0,1]=4 154 B7R0.3 CCN(C)CCOC 2230a_100000225621_100011201679 [0,0,0,0,0,0|3,1,0]=4 155 B7R0.3 CCN(C)CCOC 2230a_100000731262_200000210301 [0,0,0,0,0,0|3,1,0]=4 156 B7R0.3 CCN(C)CCOC 2230a_100000743101_100000210202 [0,0,0,0,0,0|3,1,0]=4 157 B7R0.3 CCN(C)CCOC 269982a_100000225621_100000233755 [0,0,0,0,0,0|3,1,0]=4 158 B7R0.3 CCN(C)CCOC 269982a_100000731262_200000210301 [0,0,0,0,0,0|3,1,0]=4 159 B7R0.3 CCN(C)CCOC 269982a_100000743101_100000204670 [0,0,0,0,0,0|3,1,0]=4 160 B7R0.3 CCN(C)CCSC 2230a_100000225621_100000751147 [0,0,0,0,0,0|3,0,0]=3 161 B7R0.3 CCN(C)CCSC 2230a_100000686725_100000210202 [0,0,0,0,0,0|3,0,0]=3 162 B7R0.3 CCN(C)CCSC 269982a_100000225621_100000212216 [0,0,0,0,0,0|3,0,0]=3 163 B7R0.3 CCN(C)CCSC 269982a_100000686725_100000204670 [0,0,0,0,0,0|3,0,0]=3 164 B7R0.3 CCN([13CH3])CCOC 2230a_100000731262_200025704644 [0,0,0,0,0,0|3,1,0]=4 165 B7R0.3 CCN([13CH3])CCOC 269982a_100000731262_200025704644 [0,0,0,0,0,0|3,1,0]=4 166 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [0,0,0,0,0,0|3,0,0]=3 167 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [0,0,0,0,0,0|3,0,0]=3 168 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [0,0,0,0,0,0|2,0,0]=2 169 B7R0.3 CCNC[C@@H](C)OC 2230a_100020591295_100000210202 [0,0,0,0,0,0|3,0,1]=4 170 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [0,0,0,0,0,0|4,0,0]=4 171 B7R0.3 CCNNC(=O)NC 273464a_100102657272_100000756455 [0,0,0,0,0,0|4,0,0]=4 172 B7R0.3 CCNNC(=O)NC 512a_100000756455_100102657272 [0,0,0,0,0,0|4,0,0]=4 173 B7R0.3 CCNNC(=O)NC 512a_106832991638_100000756455 [0,0,0,0,0,0|4,0,0]=4 174 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [0,0,0,0,0,0|3,0,0]=3 175 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [0,0,0,0,0,0|3,0,0]=3 176 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [0,0,0,0,0,0|4,0,0]=4 177 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [0,0,0,0,0,0|3,0,0]=3 178 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [0,0,0,0,0,0|3,0,0]=3 179 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [0,0,0,0,0,0|3,0,0]=3 180 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [0,0,0,0,0,0|3,0,0]=3 181 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [0,0,0,0,0,0|3,0,0]=3 182 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [0,0,0,0,0,0|3,0,0]=3 183 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [0,0,0,0,0,0|2,0,0]=2 184 B7R0.3 CCOCC(C)OC 34a_100000690652_100000210202 [0,0,0,0,0,0|3,0,1]=4 185 B7R0.3 CCOCC(C)OC 34a_100000718985_200000210301 [0,0,0,0,0,0|3,0,1]=4 186 B7R0.3 CCOCC(C)OC 7a_100000718985_200000210301 [0,0,0,0,0,0|3,0,1]=4 187 B7R0.3 CCOCC(C)O[13CH3] 34a_100000718985_200025704644 [0,0,0,0,0,0|3,0,1]=4 188 B7R0.3 CCOCC(C)O[13CH3] 7a_100000718985_200025704644 [0,0,0,0,0,0|3,0,1]=4 189 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [0,0,0,0,0,0|3,0,0]=3 190 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [0,0,0,0,0,0|3,0,0]=3 191 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [0,0,0,0,0,0|3,0,0]=3 192 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [0,0,0,0,0,0|4,0,0]=4 193 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [0,0,0,0,0,0|3,0,0]=3 194 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [0,0,0,0,0,0|3,0,0]=3 195 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [0,0,0,0,0,0|3,0,0]=3 196 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [0,0,0,0,0,0|3,0,0]=3 197 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [0,0,0,0,0,0|3,0,0]=3 198 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [0,0,0,0,0,0|3,0,0]=3 199 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [0,0,0,0,0,0|2,0,0]=2 200 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [0,0,0,0,0,0|2,0,0]=2 201 B7R0.3 CNC(=O)C=COC 1626a_100102657272_100016268678 [0,0,0,0,0,0|1,1,2]=4 202 B7R0.3 CNC(=O)C=COC 240690a_100102657272_100016268678 [0,0,0,0,0,0|1,1,2]=4 203 B7R0.3 CNC(=O)CCC#N 11a_106832991635_100011934036 [0,0,0,0,0,0|3,0,0]=3 204 B7R0.3 CNC(=O)CCC#N 1626a_100102657272_100011934036 [0,0,0,0,0,0|3,0,0]=3 205 B7R0.3 CNC(=O)CCC#N 240690a_100102657272_100011934036 [0,0,0,0,0,0|3,0,0]=3 206 B7R0.3 CNC(=O)CCC#N 527a_100102657272_100011934036 [0,0,0,0,0,0|3,0,0]=3 207 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [0,0,0,0,0,0|2,0,0]=2 208 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [0,0,0,0,0,0|2,0,0]=2 209 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [0,0,0,0,0,0|1,1,0]=2 210 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [0,0,0,0,0,0|1,1,0]=2 211 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [0,0,0,0,0,0|1,1,0]=2 212 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [0,0,0,0,0,0|1,1,0]=2 213 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [0,0,0,0,0,0|1,1,0]=2 214 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [0,0,0,0,0,0|1,1,0]=2 215 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [0,0,0,0,0,0|1,1,0]=2 216 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [0,0,0,0,0,0|1,0,0]=1 217 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [0,0,0,0,0,0|1,0,0]=1 218 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [0,0,0,0,0,0|1,0,0]=1 219 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [0,0,0,0,0,0|1,0,0]=1 220 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [0,0,0,0,0,0|1,0,0]=1 221 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [0,0,0,0,0,0|1,0,0]=1 222 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [0,0,0,0,0,0|1,0,0]=1 223 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [0,0,0,0,0,0|1,0,0]=1 224 B7R0.3 CNC(=O)CN=[N+]=[N-] 11a_106832991635_100000751907 [0,0,0,0,0,0|4,0,0]=4 225 B7R0.3 CNC(=O)CN=[N+]=[N-] 240690a_100102657272_100000751907 [0,0,0,0,0,0|4,0,0]=4 226 B7R0.3 CNC(=O)COCF 34a_100000750040_100015361967 [0,0,0,0,0,0|4,0,0]=4 227 B7R0.3 CNC(=O)CSCF 62a_100000183359_100015361967 [0,0,0,0,0,0|4,0,0]=4 228 B7R0.3 CNC(=O)CSCF 62a_100015361967_100000183359 [0,0,0,0,0,0|4,0,0]=4 229 B7R0.3 CNC(=O)NCC#N 2708a_100000734998_106832991635 [0,0,0,0,0,0|4,0,0]=4 230 B7R0.3 CNC(=O)NCC#N 273464a_100000734998_100102657272 [0,0,0,0,0,0|4,0,0]=4 231 B7R0.3 CNC(=O)NCC#N 273464a_100102657272_100000734998 [0,0,0,0,0,0|4,0,0]=4 232 B7R0.3 CNC(=O)NCC#N 512a_100000734998_100102657272 [0,0,0,0,0,0|4,0,0]=4 233 B7R0.3 CNC(=O)NCC#N 512a_106832991638_100000734998 [0,0,0,0,0,0|4,0,0]=4 234 B7R0.3 CNC(=O)NCCF 2708a_100102657272_100000724931 [0,0,0,0,0,0|4,0,0]=4 235 B7R0.3 CNC(=O)NCCF 273464a_100000724931_100102657272 [0,0,0,0,0,0|4,0,0]=4 236 B7R0.3 CNC(=O)NCCF 273464a_100102657272_100000724931 [0,0,0,0,0,0|4,0,0]=4 237 B7R0.3 CNC(=O)NCCF 512a_106832991638_100000724931 [0,0,0,0,0,0|4,0,0]=4 238 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [0,0,0,0,0,0|4,0,0]=4 239 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [0,0,0,0,0,0|4,0,0]=4 240 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [0,0,0,0,0,0|4,0,0]=4 241 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [0,0,0,0,0,0|4,0,0]=4 242 B7R0.3 CNC(C)CCOC 270004a_106832991635_100000742357 [0,0,0,0,0,0|2,1,1]=4 243 B7R0.3 CNC(C)CCSC 270004a_106832991635_100011217047 [0,0,0,0,0,0|2,0,1]=3 244 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [0,0,0,0,0,0|2,0,0]=2 245 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [0,0,0,0,0,0|2,0,0]=2 246 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [0,0,0,0,0,0|2,0,0]=2 247 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [0,0,0,0,0,0|2,0,0]=2 248 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [0,0,0,0,0,0|2,0,0]=2 249 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [0,0,0,0,0,0|1,0,0]=1 250 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [0,0,0,0,0,0|1,0,0]=1 251 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [0,0,0,0,0,0|1,0,0]=1 252 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [0,0,0,0,0,0|0,0,0]=0 253 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [0,0,0,0,0,0|0,0,0]=0 254 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [0,0,0,0,0,0|0,0,0]=0 255 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [0,0,0,0,0,0|0,0,0]=0 256 B7R0.3 COC(=O)CSCF 62a_100000747449_100015361967 [0,0,0,0,0,0|3,0,0]=3 257 B7R0.3 COC(=O)CSCF 62a_100015361967_100000747449 [0,0,0,0,0,0|3,0,0]=3 258 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [0,0,0,0,0,0|1,0,0]=1 259 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [0,0,0,0,0,0|1,0,0]=1 260 B7R0.3 COC(C)CCCCl 34a_200000718107_200000210301 [0,0,0,0,0,0|3,0,1]=4 261 B7R0.3 COC(C)CCCCl 7a_200000718107_200000210301 [0,0,0,0,0,0|3,0,1]=4 262 B7R0.3 COC(C)CCO[13CH3] 7a_100000764861_200025704644 [0,0,0,0,0,0|1,1,1]=3 263 B7R0.3 COC(C)SCSC 62a_100009879195_100011218213 [0,0,0,0,0,0|2,0,1]=3 264 B7R0.3 COC(C)SCSC 62a_100011218213_100009879195 [0,0,0,0,0,0|2,0,1]=3 265 B7R0.3 COCCC(=NO)N 34a_100000749954_200000210301 [0,0,0,0,0,0|3,1,0]=4 266 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [0,0,0,0,0,0|2,1,0]=3 267 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [0,0,0,0,0,0|2,1,0]=3 268 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [0,0,0,0,0,0|0,1,0]=1 269 B7R0.3 COCCC(C)OC 7a_100000764861_200000210301 [0,0,0,0,0,0|1,1,1]=3 270 B7R0.3 COCSC(C)OC 62a_100000766300_100009879195 [0,0,0,0,0,0|2,1,1]=4 271 B7R0.3 COCSC(C)OC 62a_100009879195_100000766300 [0,0,0,0,0,0|2,1,1]=4 272 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [0,0,0,0,0,0|2,0,0]=2 273 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [0,0,0,0,0,0|2,0,0]=2 274 B7R0.3 CSCCN(C)CF 269982a_100000686725_100015361967 [0,0,0,0,0,0|4,0,0]=4 275 B7R0.3 N#CCCC(=O)CF 1458a_100011934036_100015361967 [0,0,0,0,0,0|4,0,0]=4 276 B7R0.3 N#CCCC(=O)CO 1458a_100000210174_100011215226 [0,0,0,0,0,0|4,0,0]=4 277 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [0,0,0,0,0,0|4,0,0]=4 278 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [0,0,0,0,0,0|4,0,0]=4 279 B7R0.3 [13CH3]OCCC(=NO)N 34a_100000749954_200025704644 [0,0,0,0,0,0|3,1,0]=4 280 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [1,0,0,0,0,0|1,0,1]=3 281 B6R0.1 C#CC(=O)CCF 1458a_100000211873_100011217306 [1,0,0,0,0,0|2,0,1]=4 282 B6R0.1 C#CC(=O)CCO 1458a_100000211873_100000211926 [1,0,0,0,0,0|1,1,1]=4 283 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [1,0,0,0,0,0|1,0,2]=4 284 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [1,0,0,0,0,0|1,0,2]=4 285 B6R0.1 C#CCC(=O)NC 1626a_100102657272_100011220946 [1,0,0,0,0,0|1,0,2]=4 286 B6R0.1 C#CCC(=O)NC 527a_100102657272_100011220946 [1,0,0,0,0,0|1,0,2]=4 287 B6R0.1 C=C(C#N)CSC 62a_200000210301_100000694840 [1,0,0,0,0,0|3,0,0]=4 288 B6R0.1 C=C(C#N)CS[13CH3] 62a_200025704644_100000694840 [1,0,0,0,0,0|3,0,0]=4 289 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [1,0,0,0,0,0|1,0,1]=3 290 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [1,0,0,0,0,0|2,0,1]=4 291 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [1,0,0,0,0,0|1,1,1]=4 292 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [1,0,0,0,0,0|2,0,1]=4 293 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [1,0,0,0,0,0|1,0,2]=4 294 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [1,0,0,0,0,0|1,0,2]=4 295 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [1,0,0,0,0,0|1,0,2]=4 296 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [1,0,0,0,0,0|1,0,2]=4 297 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [1,0,0,0,0,0|1,0,2]=4 298 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [1,0,0,0,0,0|1,0,2]=4 299 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [1,0,0,0,0,0|1,0,2]=4 300 B6R0.1 CC(CCBr)O[13CH3] 34a_100012276601_200025704644 [1,0,0,0,0,0|2,0,1]=4 301 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [1,0,0,0,0,0|1,0,2]=4 302 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [1,0,0,0,0,0|1,0,2]=4 303 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [1,0,0,0,0,0|1,0,2]=4 304 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [1,0,0,0,0,0|1,0,2]=4 305 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [1,0,0,0,0,0|2,0,1]=4 306 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [1,0,0,0,0,0|2,0,1]=4 307 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [1,0,0,0,0,0|2,0,0]=3 308 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [1,0,0,0,0,0|1,1,0]=3 309 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [1,0,0,0,0,0|1,1,0]=3 310 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [1,0,0,0,0,0|2,0,0]=3 311 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [1,0,0,0,0,0|1,1,0]=3 312 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [1,0,0,0,0,0|1,1,0]=3 313 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [1,0,0,0,0,0|1,1,0]=3 314 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [1,0,0,0,0,0|1,0,0]=2 315 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [1,0,0,0,0,0|1,0,0]=2 316 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [1,0,0,0,0,0|1,0,0]=2 317 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [1,0,0,0,0,0|1,0,0]=2 318 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [1,0,0,0,0,0|1,0,0]=2 319 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [1,0,0,0,0,0|3,0,0]=4 320 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [1,0,0,0,0,0|2,0,1]=4 321 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [1,0,0,0,0,0|2,0,1]=4 322 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [1,0,0,0,0,0|2,0,1]=4 323 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [1,0,0,0,0,0|2,0,1]=4 324 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [1,0,0,0,0,0|1,0,2]=4 325 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [1,0,0,0,0,0|1,0,2]=4 326 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [1,0,0,0,0,0|1,0,2]=4 327 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [1,0,0,0,0,0|1,0,2]=4 328 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [1,0,0,0,0,0|1,0,0]=2 329 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [1,0,0,0,0,0|1,0,0]=2 330 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [1,0,0,0,0,0|2,0,0]=3 331 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [1,0,0,0,0,0|2,0,0]=3 332 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [1,0,0,0,0,0|1,0,0]=2 333 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [1,0,0,0,0,0|1,0,0]=2 334 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [1,0,0,0,0,0|1,0,0]=2 335 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [1,0,0,0,0,0|1,0,0]=2 336 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [1,0,0,0,0,0|2,0,1]=4 337 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [1,0,0,0,0,0|2,0,1]=4 338 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [1,0,0,0,0,0|2,0,1]=4 339 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [1,0,0,0,0,0|2,0,1]=4 340 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [1,0,0,0,0,0|2,0,1]=4 341 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [1,0,0,0,0,0|2,0,1]=4 342 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [1,0,0,0,0,0|1,0,1]=3 343 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [1,0,0,0,0,0|1,0,1]=3 344 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [1,0,0,0,0,0|1,0,1]=3 345 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [1,0,0,0,0,0|1,0,1]=3 346 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [1,0,0,0,0,0|1,0,1]=3 347 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [1,0,0,0,0,0|1,1,1]=4 348 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [1,0,0,0,0,0|1,1,1]=4 349 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [1,0,0,0,0,0|1,1,1]=4 350 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [1,0,0,0,0,0|1,1,1]=4 351 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [1,0,0,0,0,0|3,0,0]=4 352 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [1,0,0,0,0,0|3,0,0]=4 353 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [1,0,0,0,0,0|3,0,0]=4 354 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [1,0,0,0,0,0|3,0,0]=4 355 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [1,0,0,0,0,0|3,0,0]=4 356 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [1,0,0,0,0,0|3,0,0]=4 357 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [1,0,0,0,0,0|3,0,0]=4 358 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [1,0,0,0,0,0|3,0,0]=4 359 B6R0.1 CCN(C)CSC 2230a_100000225621_100011218213 [1,0,0,0,0,0|3,0,0]=4 360 B6R0.1 CCN(C)CSC 269982a_100000225621_100011218213 [1,0,0,0,0,0|3,0,0]=4 361 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [1,0,0,0,0,0|2,0,0]=3 362 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [1,0,0,0,0,0|2,0,0]=3 363 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [1,0,0,0,0,0|2,0,0]=3 364 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [1,0,0,0,0,0|3,0,0]=4 365 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [1,0,0,0,0,0|3,0,0]=4 366 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [1,0,0,0,0,0|2,0,0]=3 367 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [1,0,0,0,0,0|2,0,0]=3 368 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [1,0,0,0,0,0|2,0,0]=3 369 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [1,0,0,0,0,0|2,0,0]=3 370 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [1,0,0,0,0,0|2,0,0]=3 371 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [1,0,0,0,0,0|2,0,0]=3 372 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [1,0,0,0,0,0|2,0,1]=4 373 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [1,0,0,0,0,0|2,0,1]=4 374 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [1,0,0,0,0,0|2,0,1]=4 375 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [1,0,0,0,0,0|2,0,1]=4 376 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [1,0,0,0,0,0|2,0,1]=4 377 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [1,0,0,0,0,0|2,0,1]=4 378 B6R0.1 CNC(=O)CC#N 1626a_100102657272_100051588842 [1,0,0,0,0,0|2,0,1]=4 379 B6R0.1 CNC(=O)CC#N 240690a_100102657272_100051588842 [1,0,0,0,0,0|2,0,1]=4 380 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [1,0,0,0,0,0|1,1,0]=3 381 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [1,0,0,0,0,0|2,0,0]=3 382 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [1,0,0,0,0,0|1,1,0]=3 383 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [1,0,0,0,0,0|1,1,0]=3 384 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [1,0,0,0,0,0|1,1,0]=3 385 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [1,0,0,0,0,0|1,1,0]=3 386 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [1,0,0,0,0,0|1,1,0]=3 387 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [1,0,0,0,0,0|1,1,0]=3 388 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [1,0,0,0,0,0|1,1,0]=3 389 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [1,0,0,0,0,0|1,0,0]=2 390 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [1,0,0,0,0,0|1,0,0]=2 391 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [1,0,0,0,0,0|1,0,0]=2 392 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [1,0,0,0,0,0|1,0,0]=2 393 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [1,0,0,0,0,0|1,0,0]=2 394 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [1,0,0,0,0,0|1,0,0]=2 395 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [1,0,0,0,0,0|1,0,0]=2 396 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [1,0,0,0,0,0|1,0,0]=2 397 B6R0.1 CNC(C)CSC 270004a_106832991635_100011216314 [1,0,0,0,0,0|2,0,1]=4 398 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [1,0,0,0,0,0|2,0,0]=3 399 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [1,0,0,0,0,0|2,0,0]=3 400 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [1,0,0,0,0,0|2,0,0]=3 401 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [1,0,0,0,0,0|2,0,0]=3 402 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [1,0,0,0,0,0|1,0,0]=2 403 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [1,0,0,0,0,0|1,0,0]=2 404 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [1,0,0,0,0,0|1,0,0]=2 405 B6R0.1 CNC[C@@H](C)OC 2230a_100020591295_200000210301 [1,0,0,0,0,0|2,0,1]=4 406 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [1,0,0,0,0,0|3,0,0]=4 407 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [1,0,0,0,0,0|3,0,0]=4 408 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [1,0,0,0,0,0|3,0,0]=4 409 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [1,0,0,0,0,0|0,0,0]=1 410 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [1,0,0,0,0,0|0,0,0]=1 411 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [1,0,0,0,0,0|0,0,0]=1 412 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [1,0,0,0,0,0|0,0,0]=1 413 B6R0.1 COC(C)CCBr 34a_100012276601_200000210301 [1,0,0,0,0,0|2,0,1]=4 414 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [1,0,0,0,0,0|1,1,1]=4 415 B6R0.1 COC(C)CO[13CH3] 34a_100000690652_200025704644 [1,0,0,0,0,0|1,1,1]=4 416 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [1,0,0,0,0,0|2,1,0]=4 417 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [1,0,0,0,0,0|0,1,0]=2 418 B6R0.1 COCC(C)OC 34a_100000690652_200000210301 [1,0,0,0,0,0|1,1,1]=4 419 B6R0.1 COCC(C)OC 34a_100138415774_100000765312 [1,0,0,0,0,0|1,1,1]=4 420 B6R0.1 COC[C@@H](C)OC 34a_100011934205_200000210301 [1,0,0,0,0,0|1,1,1]=4 421 B6R0.1 COC[C@@H](C)O[13CH3] 34a_100011934205_200025704644 [1,0,0,0,0,0|1,1,1]=4 422 B6R0.1 CO[C@H](C)CN[13CH3] 2230a_100020591295_200025704644 [1,0,0,0,0,0|2,0,1]=4 423 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [1,0,0,0,0,0|2,0,0]=3 424 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [1,0,0,0,0,0|2,1,0]=4 425 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [1,0,0,0,0,0|3,0,0]=4 426 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [1,0,0,0,0,0|2,1,0]=4 427 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [1,0,0,0,0,0|1,0,1]=3 428 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [1,0,0,0,0,0|1,0,1]=3 429 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [1,0,0,0,0,0|1,0,1]=3 430 B6R0.4 C#CCNC(=O)C 11a_100000212058_100015343762 [1,0,0,0,0,0|2,0,1]=4 431 B6R0.4 C#CCNC(=O)C 1626a_100000212058_100015343762 [1,0,0,0,0,0|2,0,1]=4 432 B6R0.4 C#CCNC(=O)C 240690a_100000212058_100015343762 [1,0,0,0,0,0|2,0,1]=4 433 B6R0.4 C#CCNC(=O)C 527a_100000212058_100103153847 [1,0,0,0,0,0|2,0,1]=4 434 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,0,0,0,0,0|1,0,1]=3 435 B6R0.4 C=C(Br)CCOC 34a_100009813270_200000210301 [1,0,0,0,0,0|1,1,1]=4 436 B6R0.4 C=C(Br)CCO[13CH3] 34a_100009813270_200025704644 [1,0,0,0,0,0|1,1,1]=4 437 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [1,0,0,0,0,0|2,0,0]=3 438 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [1,0,0,0,0,0|2,0,0]=3 439 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [1,0,0,0,0,0|2,0,0]=3 440 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [1,0,0,0,0,0|1,1,0]=3 441 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [1,0,0,0,0,0|1,1,0]=3 442 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [1,0,0,0,0,0|1,1,0]=3 443 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [1,0,0,0,0,0|1,0,0]=2 444 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [1,0,0,0,0,0|1,0,0]=2 445 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [1,0,0,0,0,0|1,0,0]=2 446 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [1,0,0,0,0,0|1,0,0]=2 447 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [1,0,0,0,0,0|3,0,0]=4 448 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [1,0,0,0,0,0|3,0,0]=4 449 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [1,0,0,0,0,0|3,0,0]=4 450 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [1,0,0,0,0,0|3,0,0]=4 451 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [1,0,0,0,0,0|3,0,0]=4 452 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [1,0,0,0,0,0|1,0,1]=3 453 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [1,0,0,0,0,0|1,0,1]=3 454 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [1,0,0,0,0,0|1,0,1]=3 455 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [1,0,0,0,0,0|2,0,1]=4 456 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [1,0,0,0,0,0|2,0,1]=4 457 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [1,0,0,0,0,0|2,0,1]=4 458 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [1,0,0,0,0,0|1,0,1]=3 459 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [1,0,0,0,0,0|2,0,1]=4 460 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [1,0,0,0,0,0|1,1,1]=4 461 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [1,0,0,0,0,0|1,0,1]=3 462 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [1,0,0,0,0,0|1,0,1]=3 463 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [1,0,0,0,0,0|2,0,0]=3 464 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [1,0,0,0,0,0|2,0,0]=3 465 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [1,0,0,0,0,0|2,0,0]=3 466 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,0,0,0,0,0|2,0,0]=3 467 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,0,0,0,0,0|0,1,0]=2 468 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,0,0,0,0,0|0,1,0]=2 469 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,0,0,0,0,0|0,0,0]=1 470 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,0,0,0,0,0|0,0,0]=1 471 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [1,0,0,0,0,0|3,0,0]=4 472 B6R0.4 CC(=O)NCC#N 1626a_100000734998_100015343762 [1,0,0,0,0,0|3,0,0]=4 473 B6R0.4 CC(=O)NCC#N 527a_100000734998_100103153847 [1,0,0,0,0,0|3,0,0]=4 474 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [1,0,0,0,0,0|3,0,0]=4 475 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [1,0,0,0,0,0|3,0,0]=4 476 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [1,0,0,0,0,0|3,0,0]=4 477 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [1,0,0,0,0,0|3,0,0]=4 478 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,0,0,0,0,0|3,0,0]=4 479 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,0,0,0,0,0|3,0,0]=4 480 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [1,0,0,0,0,0|1,0,0]=2 481 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [1,0,0,0,0,0|1,0,0]=2 482 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [1,0,0,0,0,0|1,1,1]=4 483 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [1,0,0,0,0,0|1,1,1]=4 484 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [1,0,0,0,0,0|1,1,1]=4 485 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [1,0,0,0,0,0|1,0,1]=3 486 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [1,0,0,0,0,0|1,0,1]=3 487 B6R0.4 CC(C)OCS[13CH3] 62a_100000709892_200025704644 [1,0,0,0,0,0|2,0,1]=4 488 B6R0.4 CC(C)OCS[13CH3] 62a_200025704644_100000709892 [1,0,0,0,0,0|2,0,1]=4 489 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [1,0,0,0,0,0|1,0,2]=4 490 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [1,0,0,0,0,0|0,0,2]=3 491 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [1,0,0,0,0,0|0,0,2]=3 492 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,0,0,0,0,0|1,0,1]=3 493 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,0,0,0,0,0|1,0,1]=3 494 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,0,0,0,0,0|1,0,1]=3 495 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [1,0,0,0,0,0|3,0,0]=4 496 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [1,0,0,0,0,0|1,0,2]=4 497 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [1,0,0,0,0,0|1,0,2]=4 498 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,0,0,0,0,0|1,0,2]=4 499 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,0,0,0,0,0|1,0,2]=4 500 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,0,0,0,0,0|1,0,0]=2 501 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,0,0,0,0,0|1,0,0]=2 502 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,0,0,0,0,0|1,0,0]=2 503 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [1,0,0,0,0,0|3,0,0]=4 504 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [1,0,0,0,0,0|3,0,0]=4 505 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [1,0,0,0,0,0|3,0,0]=4 506 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [1,0,0,0,0,0|3,0,0]=4 507 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [1,0,0,0,0,0|3,0,0]=4 508 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [1,0,0,0,0,0|3,0,0]=4 509 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,0,0,0,0,0|2,0,0]=3 510 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,0,0,0,0,0|2,0,0]=3 511 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,0,0,0,0,0|2,0,0]=3 512 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,0,0,0,0,0|2,0,0]=3 513 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [1,0,0,0,0,0|3,0,0]=4 514 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [1,0,0,0,0,0|3,0,0]=4 515 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,0,0,0,0,0|2,0,0]=3 516 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [1,0,0,0,0,0|3,0,0]=4 517 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,0,0,0,0,0|2,0,0]=3 518 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,0,0,0,0,0|2,0,0]=3 519 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [1,0,0,0,0,0|3,0,0]=4 520 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,0,0,0,0,0|2,0,0]=3 521 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [1,0,0,0,0,0|2,0,1]=4 522 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,0,0,0,0,0|2,0,0]=3 523 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [1,0,0,0,0,0|3,0,0]=4 524 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [1,0,0,0,0,0|3,0,0]=4 525 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,0,0,0,0,0|2,0,0]=3 526 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [1,0,0,0,0,0|2,0,1]=4 527 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [1,0,0,0,0,0|2,0,1]=4 528 B6R0.4 CN(C)CCS[13CH3] 62a_200025704644_100000755713 [1,0,0,0,0,0|2,0,0]=3 529 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [1,0,0,0,0,0|2,0,1]=4 530 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [1,0,0,0,0,0|2,0,1]=4 531 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [1,0,0,0,0,0|2,0,1]=4 532 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [1,0,0,0,0,0|2,0,1]=4 533 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,0,0,0,0,0|1,0,0]=2 534 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [1,0,0,0,0,0|2,0,0]=3 535 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [1,0,0,0,0,0|2,0,0]=3 536 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [1,0,0,0,0,0|2,0,0]=3 537 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [1,0,0,0,0,0|2,0,1]=4 538 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [1,0,0,0,0,0|2,0,1]=4 539 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [1,0,0,0,0,0|2,0,1]=4 540 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [1,0,0,0,0,0|2,0,1]=4 541 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [1,0,0,0,0,0|1,0,2]=4 542 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [1,0,0,0,0,0|1,0,2]=4 543 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [1,0,0,0,0,0|1,0,2]=4 544 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [1,0,0,0,0,0|1,0,2]=4 545 B6R0.4 CNCCN(C)C 7a_106832991635_100000755713 [1,0,0,0,0,0|3,0,0]=4 546 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [1,0,0,0,0,0|2,0,0]=3 547 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [1,0,0,0,0,0|2,0,0]=3 548 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [1,0,0,0,0,0|0,1,2]=4 549 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [1,0,0,0,0,0|0,1,2]=4 550 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [1,0,0,0,0,0|1,1,1]=4 551 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [1,0,0,0,0,0|1,1,1]=4 552 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,0,0,0,0,0|0,1,0]=2 553 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,0,0,0,0,0|0,1,0]=2 554 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,0,0,0,0,0|0,1,0]=2 555 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,0,0,0,0,0|0,1,0]=2 556 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [1,0,0,0,0,0|1,1,0]=3 557 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [1,0,0,0,0,0|1,1,0]=3 558 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [1,0,0,0,0,0|1,1,0]=3 559 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,0,0,0,0,0|0,1,0]=2 560 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [1,0,0,0,0,0|1,1,1]=4 561 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [1,0,0,0,0,0|1,1,1]=4 562 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [1,0,0,0,0,0|1,1,1]=4 563 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [1,0,0,0,0,0|1,1,1]=4 564 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [1,0,0,0,0,0|0,1,2]=4 565 B6R0.4 COCCN(C)C 2230a_100000743101_200000210301 [1,0,0,0,0,0|2,1,0]=4 566 B6R0.4 COCCN(C)C 2230a_100102631434_100011201679 [1,0,0,0,0,0|2,1,0]=4 567 B6R0.4 COCCN(C)C 269982a_100000743101_200000210301 [1,0,0,0,0,0|2,1,0]=4 568 B6R0.4 COCCN(C)C 269982a_100102631434_100000233755 [1,0,0,0,0,0|2,1,0]=4 569 B6R0.4 COCCN(C)[13CH3] 2230a_100000743101_200025704644 [1,0,0,0,0,0|2,1,0]=4 570 B6R0.4 COCCN(C)[13CH3] 269982a_100000743101_200025704644 [1,0,0,0,0,0|2,1,0]=4 571 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [1,0,0,0,0,0|1,1,1]=4 572 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [1,0,0,0,0,0|1,1,0]=3 573 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [1,0,0,0,0,0|1,0,1]=3 574 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [1,0,0,0,0,0|1,0,1]=3 575 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,0,0,0,0,0|0,0,0]=1 576 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,0,0,0,0,0|0,0,0]=1 577 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,0,0,0,0,0|0,0,0]=1 578 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,0,0,0,0,0|0,0,0]=1 579 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [1,0,0,0,0,0|1,0,0]=2 580 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [1,0,0,0,0,0|1,0,0]=2 581 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,0,0,0,0,0|0,0,0]=1 582 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [1,0,0,0,0,0|1,0,1]=3 583 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [1,0,0,0,0,0|1,0,1]=3 584 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [1,0,0,0,0,0|0,0,2]=3 585 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [1,0,0,0,0,0|0,0,2]=3 586 B6R0.4 CSCCN(C)C 2230a_100000686725_200000210301 [1,0,0,0,0,0|2,0,0]=3 587 B6R0.4 CSCCN(C)C 2230a_100102631434_100000751147 [1,0,0,0,0,0|2,0,0]=3 588 B6R0.4 CSCCN(C)C 269982a_100000686725_200000210301 [1,0,0,0,0,0|2,0,0]=3 589 B6R0.4 CSCCN(C)C 269982a_100102631434_100000212216 [1,0,0,0,0,0|2,0,0]=3 590 B6R0.4 CSCCN(C)C 62a_200000210301_100000755713 [1,0,0,0,0,0|2,0,0]=3 591 B6R0.4 CSCCN(C)[13CH3] 2230a_100000686725_200025704644 [1,0,0,0,0,0|2,0,0]=3 592 B6R0.4 CSCCN(C)[13CH3] 269982a_100000686725_200025704644 [1,0,0,0,0,0|2,0,0]=3 593 B6R0.4 CSCNC(C)C 2230a_100138425928_100011218213 [1,0,0,0,0,0|2,0,1]=4 594 B6R0.4 CSCNC(C)C 34a_100138425928_100011218213 [1,0,0,0,0,0|2,0,1]=4 595 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [1,0,0,0,0,0|1,0,0]=2 596 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [1,0,0,0,0,0|1,0,0]=2 597 B6R0.4 CSCOC(C)C 34a_100000212225_100011218213 [1,0,0,0,0,0|2,0,1]=4 598 B6R0.4 CSCOC(C)C 62a_100000709892_200000210301 [1,0,0,0,0,0|2,0,1]=4 599 B6R0.4 CSCOC(C)C 62a_200000210301_100000709892 [1,0,0,0,0,0|2,0,1]=4 600 B6R0.4 CSCSC(C)C 62a_100000210206_100011218213 [1,0,0,0,0,0|2,0,1]=4 601 B6R0.4 CSCSC(C)C 62a_100011218213_100000210206 [1,0,0,0,0,0|2,0,1]=4 602 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [1,0,0,0,0,0|1,1,1]=4 603 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [1,0,0,0,0,0|3,0,0]=4 604 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [1,0,0,0,0,0|2,0,0]=3 605 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [1,0,0,0,0,0|2,0,0]=3 606 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [1,0,0,0,0,0|1,1,0]=3 607 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [1,0,0,0,0,0|1,1,0]=3 608 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [1,0,0,0,0,0|1,0,0]=2 609 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [1,0,0,0,0,0|1,0,0]=2 610 B6R0.6 C#CCCCOC 34a_100000215630_200000210301 [1,0,0,0,0,0|1,0,2]=4 611 B6R0.6 C#CCCCOC 34a_100138415774_100000695029 [1,0,0,0,0,0|1,0,2]=4 612 B6R0.6 C#CCCCOC 7a_100000215630_200000210301 [1,0,0,0,0,0|1,0,2]=4 613 B6R0.6 C#CCCCO[13CH3] 34a_100000215630_200025704644 [1,0,0,0,0,0|1,0,2]=4 614 B6R0.6 C#CCCCO[13CH3] 7a_100000215630_200025704644 [1,0,0,0,0,0|1,0,2]=4 615 B6R0.6 C#CCCCSC 62a_100011215417_200000210301 [1,0,0,0,0,0|1,0,2]=4 616 B6R0.6 C#CCCCSC 62a_200000210301_100011215417 [1,0,0,0,0,0|1,0,2]=4 617 B6R0.6 C#CCCCS[13CH3] 62a_100011215417_200025704644 [1,0,0,0,0,0|1,0,2]=4 618 B6R0.6 C#CCCCS[13CH3] 62a_200025704644_100011215417 [1,0,0,0,0,0|1,0,2]=4 619 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [1,0,0,0,0,0|1,1,0]=3 620 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [1,0,0,0,0,0|1,1,0]=3 621 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [1,0,0,0,0,0|3,0,0]=4 622 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [1,0,0,0,0,0|3,0,0]=4 623 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [1,0,0,0,0,0|3,0,0]=4 624 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [1,0,0,0,0,0|3,0,0]=4 625 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [1,0,0,0,0,0|1,0,2]=4 626 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [1,0,0,0,0,0|1,0,2]=4 627 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [1,0,0,0,0,0|1,0,2]=4 628 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [1,0,0,0,0,0|1,0,2]=4 629 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [1,0,0,0,0,0|1,0,2]=4 630 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [1,0,0,0,0,0|1,0,2]=4 631 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [1,0,0,0,0,0|1,0,2]=4 632 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [1,0,0,0,0,0|1,0,2]=4 633 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [1,0,0,0,0,0|1,0,2]=4 634 B6R0.6 C=COCCSC 62a_100000039644_200000210301 [1,0,0,0,0,0|2,0,1]=4 635 B6R0.6 C=COCCSC 62a_200000210301_100000039644 [1,0,0,0,0,0|2,0,1]=4 636 B6R0.6 C=COCCS[13CH3] 62a_100000039644_200025704644 [1,0,0,0,0,0|2,0,1]=4 637 B6R0.6 C=COCCS[13CH3] 62a_200025704644_100000039644 [1,0,0,0,0,0|2,0,1]=4 638 B6R0.6 CC#CCCOC 34a_100000750427_200000210301 [1,0,0,0,0,0|1,0,2]=4 639 B6R0.6 CC#CCCO[13CH3] 34a_100000750427_200025704644 [1,0,0,0,0,0|1,0,2]=4 640 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [1,0,0,0,0,0|2,0,1]=4 641 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [1,0,0,0,0,0|2,0,1]=4 642 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [1,0,0,0,0,0|2,0,1]=4 643 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [1,0,0,0,0,0|1,1,1]=4 644 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [1,0,0,0,0,0|1,1,1]=4 645 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [1,0,0,0,0,0|1,1,1]=4 646 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [1,0,0,0,0,0|1,0,1]=3 647 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [1,0,0,0,0,0|1,0,1]=3 648 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [1,0,0,0,0,0|1,0,1]=3 649 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [1,0,0,0,0,0|1,0,1]=3 650 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [1,0,0,0,0,0|3,0,0]=4 651 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [1,0,0,0,0,0|3,0,0]=4 652 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [1,0,0,0,0,0|3,0,0]=4 653 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [1,0,0,0,0,0|3,0,0]=4 654 B6R0.6 CCC#CCSC 62a_100009813939_200000210301 [1,0,0,0,0,0|1,0,2]=4 655 B6R0.6 CCC#CCSC 62a_200000210301_100009813939 [1,0,0,0,0,0|1,0,2]=4 656 B6R0.6 CCC#CCS[13CH3] 62a_100009813939_200025704644 [1,0,0,0,0,0|1,0,2]=4 657 B6R0.6 CCC#CCS[13CH3] 62a_200025704644_100009813939 [1,0,0,0,0,0|1,0,2]=4 658 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [1,0,0,0,0,0|2,0,1]=4 659 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [1,0,0,0,0,0|2,0,1]=4 660 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [1,0,0,0,0,0|2,0,1]=4 661 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [1,0,0,0,0,0|2,0,1]=4 662 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [1,0,0,0,0,0|2,0,1]=4 663 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [1,0,0,0,0,0|1,0,1]=3 664 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [1,0,0,0,0,0|1,0,1]=3 665 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [1,0,0,0,0,0|1,0,1]=3 666 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [1,0,0,0,0,0|1,0,1]=3 667 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [1,0,0,0,0,0|1,0,1]=3 668 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [1,0,0,0,0,0|1,0,1]=3 669 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [1,0,0,0,0,0|1,0,1]=3 670 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [1,0,0,0,0,0|1,0,1]=3 671 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [1,0,0,0,0,0|1,0,1]=3 672 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [1,0,0,0,0,0|3,0,0]=4 673 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [1,0,0,0,0,0|3,0,0]=4 674 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [1,0,0,0,0,0|3,0,0]=4 675 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [1,0,0,0,0,0|3,0,0]=4 676 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [1,0,0,0,0,0|3,0,0]=4 677 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [1,0,0,0,0,0|3,0,0]=4 678 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [1,0,0,0,0,0|3,0,0]=4 679 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [1,0,0,0,0,0|3,0,0]=4 680 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [1,0,0,0,0,0|2,0,1]=4 681 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [1,0,0,0,0,0|2,0,1]=4 682 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [1,0,0,0,0,0|2,0,1]=4 683 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [1,0,0,0,0,0|2,0,1]=4 684 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [1,0,0,0,0,0|2,0,1]=4 685 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [1,0,0,0,0,0|2,0,1]=4 686 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [1,0,0,0,0,0|2,0,1]=4 687 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [1,0,0,0,0,0|2,0,0]=3 688 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [1,0,0,0,0,0|2,0,0]=3 689 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [1,0,0,0,0,0|3,0,0]=4 690 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [1,0,0,0,0,0|3,0,0]=4 691 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [1,0,0,0,0,0|3,0,0]=4 692 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [1,0,0,0,0,0|3,0,0]=4 693 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [1,0,0,0,0,0|3,0,0]=4 694 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [1,0,0,0,0,0|3,0,0]=4 695 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [1,0,0,0,0,0|3,0,0]=4 696 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [1,0,0,0,0,0|2,0,1]=4 697 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [1,0,0,0,0,0|2,0,1]=4 698 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [1,0,0,0,0,0|2,0,1]=4 699 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [1,0,0,0,0,0|2,0,1]=4 700 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [1,0,0,0,0,0|2,0,1]=4 701 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [1,0,0,0,0,0|2,0,1]=4 702 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [1,0,0,0,0,0|2,0,1]=4 703 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [1,0,0,0,0,0|2,0,0]=3 704 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [1,0,0,0,0,0|2,0,0]=3 705 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [1,0,0,0,0,0|2,0,0]=3 706 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [1,0,0,0,0,0|2,0,0]=3 707 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [1,0,0,0,0,0|2,0,0]=3 708 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [1,0,0,0,0,0|2,0,0]=3 709 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [1,0,0,0,0,0|2,0,0]=3 710 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [1,0,0,0,0,0|3,0,0]=4 711 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [1,0,0,0,0,0|3,0,0]=4 712 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [1,0,0,0,0,0|3,0,0]=4 713 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [1,0,0,0,0,0|3,0,0]=4 714 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [1,0,0,0,0,0|3,0,0]=4 715 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [1,0,0,0,0,0|2,0,1]=4 716 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [1,0,0,0,0,0|2,0,1]=4 717 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [1,0,0,0,0,0|2,0,1]=4 718 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [1,0,0,0,0,0|2,0,1]=4 719 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [1,0,0,0,0,0|2,0,1]=4 720 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [1,0,0,0,0,0|2,0,1]=4 721 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [1,0,0,0,0,0|2,0,1]=4 722 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [1,0,0,0,0,0|2,0,0]=3 723 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [1,0,0,0,0,0|2,0,0]=3 724 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [1,0,0,0,0,0|2,0,0]=3 725 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [1,0,0,0,0,0|2,0,0]=3 726 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [1,0,0,0,0,0|2,0,0]=3 727 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [1,0,0,0,0,0|2,0,0]=3 728 B6R0.6 CNCCCOC 2230a_106832991635_100000740836 [1,0,0,0,0,0|1,0,1]=3 729 B6R0.6 CNCCCOC 34a_100000213112_200000210301 [1,0,0,0,0,0|1,0,1]=3 730 B6R0.6 CNCCCOC 34a_100102657272_100000740836 [1,0,0,0,0,0|1,0,1]=3 731 B6R0.6 CNCCCOC 34a_100150723488_200000210301 [1,0,0,0,0,0|1,0,1]=3 732 B6R0.6 CNCCCOC 7a_106832991635_100000740836 [1,0,0,0,0,0|1,0,1]=3 733 B6R0.6 CNCCCO[13CH3] 34a_100000213112_200025704644 [1,0,0,0,0,0|1,0,1]=3 734 B6R0.6 CNCCCSC 2230a_100000749238_200000210301 [1,0,0,0,0,0|1,0,1]=3 735 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [1,0,0,0,0,0|2,0,1]=4 736 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [1,0,0,0,0,0|2,0,1]=4 737 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [1,0,0,0,0,0|2,0,1]=4 738 B6R0.6 COCCCCF 34a_100011995726_200000210301 [1,0,0,0,0,0|2,0,1]=4 739 B6R0.6 COCCCCF 34a_100138415774_100000729493 [1,0,0,0,0,0|2,0,1]=4 740 B6R0.6 COCCCCF 7a_100011995726_200000210301 [1,0,0,0,0,0|2,0,1]=4 741 B6R0.6 COCCCCI 34a_200012148704_200000210301 [1,0,0,0,0,0|2,0,1]=4 742 B6R0.6 COCCCCN 34a_100000750430_200000210301 [1,0,0,0,0,0|2,0,1]=4 743 B6R0.6 COCCCCO 34a_100138415774_100011216708 [1,0,0,0,0,0|2,0,1]=4 744 B6R0.6 COCCCN[13CH3] 34a_100150723488_200025704644 [1,0,0,0,0,0|1,0,1]=3 745 B6R0.6 COCCCOC 34a_100000740835_200000210301 [1,0,0,0,0,0|0,1,1]=3 746 B6R0.6 COCCCOC 34a_100138415774_100000740836 [1,0,0,0,0,0|0,1,1]=3 747 B6R0.6 COCCCO[13CH3] 34a_100000740835_200025704644 [1,0,0,0,0,0|0,1,1]=3 748 B6R0.6 COCCCSC 34a_100000690336_200000210301 [1,0,0,0,0,0|0,0,1]=2 749 B6R0.6 COCCCSC 62a_100000709357_200000210301 [1,0,0,0,0,0|0,0,1]=2 750 B6R0.6 COCCCSC 62a_200000210301_100000709357 [1,0,0,0,0,0|0,0,1]=2 751 B6R0.6 COCCCSC 7a_100000690336_200000210301 [1,0,0,0,0,0|0,0,1]=2 752 B6R0.6 COCCCS[13CH3] 62a_100000709357_200025704644 [1,0,0,0,0,0|0,0,1]=2 753 B6R0.6 COCCCS[13CH3] 62a_200025704644_100000709357 [1,0,0,0,0,0|0,0,1]=2 754 B6R0.6 COCSCOC 62a_100000766300_100000766300 [1,0,0,0,0,0|1,1,1]=4 755 B6R0.6 COCSCSC 62a_100000766300_100011218213 [1,0,0,0,0,0|1,0,1]=3 756 B6R0.6 COCSCSC 62a_100011218213_100000766300 [1,0,0,0,0,0|1,0,1]=3 757 B6R0.6 CSCCCC#N 62a_100000687738_200000210301 [1,0,0,0,0,0|2,0,1]=4 758 B6R0.6 CSCCCC#N 62a_200000210301_100000687738 [1,0,0,0,0,0|2,0,1]=4 759 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [1,0,0,0,0,0|2,0,1]=4 760 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [1,0,0,0,0,0|2,0,1]=4 761 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [1,0,0,0,0,0|2,0,1]=4 762 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [1,0,0,0,0,0|2,0,1]=4 763 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [1,0,0,0,0,0|2,0,1]=4 764 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [1,0,0,0,0,0|2,0,1]=4 765 B6R0.6 CSCCCN[13CH3] 2230a_100000749238_200025704644 [1,0,0,0,0,0|1,0,1]=3 766 B6R0.6 CSCCCO[13CH3] 34a_100000690336_200025704644 [1,0,0,0,0,0|0,0,1]=2 767 B6R0.6 CSCCCO[13CH3] 7a_100000690336_200025704644 [1,0,0,0,0,0|0,0,1]=2 768 B6R0.6 CSCCOCF 34a_100000230434_100015361967 [1,0,0,0,0,0|3,0,0]=4 769 B6R0.6 CSCCOCF 7a_100000230434_100015361967 [1,0,0,0,0,0|3,0,0]=4 770 B6R0.6 CSCCSC#N 62a_100000034367_200000210301 [1,0,0,0,0,0|3,0,0]=4 771 B6R0.6 CSCCSC#N 62a_200000210301_100000034367 [1,0,0,0,0,0|3,0,0]=4 772 B6R0.6 CSCCSCF 62a_100000212216_100015361967 [1,0,0,0,0,0|3,0,0]=4 773 B6R0.6 CSCCSCF 62a_100015361967_100000751147 [1,0,0,0,0,0|3,0,0]=4 774 B6R0.6 CSCSCSC 62a_100011218213_100011218213 [1,0,0,0,0,0|1,1,1]=4 775 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [1,0,0,0,0,0|2,0,1]=4 776 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [1,0,0,0,0,0|2,0,1]=4 777 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [1,0,0,0,0,0|2,0,1]=4 778 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [1,0,0,0,0,0|2,0,1]=4 779 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [1,0,0,0,0,0|2,0,1]=4 780 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [1,0,0,0,0,0|2,0,1]=4 781 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [1,0,0,0,0,0|2,0,1]=4 782 B6R0.6 [13CH3]SCCCC#N 62a_100000687738_200025704644 [1,0,0,0,0,0|2,0,1]=4 783 B6R0.6 [13CH3]SCCCC#N 62a_200025704644_100000687738 [1,0,0,0,0,0|2,0,1]=4 784 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [1,0,0,0,0,0|2,0,1]=4 785 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [1,0,0,0,0,0|2,0,1]=4 786 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [1,0,0,0,0,0|2,0,1]=4 787 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [1,0,0,0,0,0|2,0,1]=4 788 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [1,0,0,0,0,0|2,0,1]=4 789 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [1,0,0,0,0,0|2,0,1]=4 790 B6R0.6 [13CH3]SCCSC#N 62a_100000034367_200025704644 [1,0,0,0,0,0|3,0,0]=4 791 B6R0.6 [13CH3]SCCSC#N 62a_200025704644_100000034367 [1,0,0,0,0,0|3,0,0]=4 792 B8R0.1 C#CCC(=O)CCCC 1458a_100000210183_100000184674 [0,1,0,0,0,0|2,0,1]=4 793 B8R0.1 C#CCC(=O)CCCC 1458a_100011220946_100000210211 [0,1,0,0,0,0|2,0,1]=4 794 B8R0.1 C#CCC(=O)CCOC 1458a_100000749529_100000184674 [0,1,0,0,0,0|1,1,1]=4 795 B8R0.1 C#CCC(=O)CCOC 1458a_100011220946_100000233755 [0,1,0,0,0,0|1,1,1]=4 796 B8R0.1 C#CCC(=O)CCSC 1458a_100000174002_100000184674 [0,1,0,0,0,0|1,0,1]=3 797 B8R0.1 C#CCC(=O)CCSC 1458a_100011220946_100000751147 [0,1,0,0,0,0|1,0,1]=3 798 B8R0.1 C#CCCC(=O)C#CC 1458a_100000763181_100000753159 [0,1,0,0,0,0|2,0,1]=4 799 B8R0.1 C#CCCC(=O)C=CC 1458a_100000210699_100000753159 [0,1,0,0,0,0|2,0,1]=4 800 B8R0.1 C#CCCC(=O)CCC 1458a_100000211992_100000753159 [0,1,0,0,0,0|2,0,1]=4 801 B8R0.1 C#CCCC(=O)CCC 1458a_100000692101_100000210303 [0,1,0,0,0,0|2,0,1]=4 802 B8R0.1 C#CCCC(=O)CCF 1458a_100000692101_100011217306 [0,1,0,0,0,0|2,0,1]=4 803 B8R0.1 C#CCCC(=O)CCO 1458a_100000692101_100000211926 [0,1,0,0,0,0|2,0,1]=4 804 B8R0.1 C#CCCC(=O)CCO 1458a_100011216618_100000753159 [0,1,0,0,0,0|2,0,1]=4 805 B8R0.1 C#CCCC(=O)COC 1458a_100000210968_100000753159 [0,1,0,0,0,0|1,0,1]=3 806 B8R0.1 C#CCCC(=O)CSC 1458a_100000184570_100000753159 [0,1,0,0,0,0|1,1,1]=4 807 B8R0.1 C#CCCC(=O)NCC 11a_100015525214_100000692101 [0,1,0,0,0,0|2,0,1]=4 808 B8R0.1 C#CCCC(=O)NCC 240690a_100015525214_100000692101 [0,1,0,0,0,0|2,0,1]=4 809 B8R0.1 C#CCCC(=O)NCC 527a_100015525214_100000692101 [0,1,0,0,0,0|2,0,1]=4 810 B8R0.1 C#CCCC(=O)NNC 22a_100016993582_100000692101 [0,1,0,0,0,0|2,0,1]=4 811 B8R0.1 C#CCNC(=O)COC 11a_100000212058_100000210968 [0,1,0,0,0,0|2,0,1]=4 812 B8R0.1 C#CCNC(=O)COC 1626a_100000212058_100000210968 [0,1,0,0,0,0|2,0,1]=4 813 B8R0.1 C#CCNC(=O)COC 240690a_100000212058_100000210968 [0,1,0,0,0,0|2,0,1]=4 814 B8R0.1 C#CCNC(=O)COC 527a_100000212058_100000210968 [0,1,0,0,0,0|2,0,1]=4 815 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [0,1,0,0,0,0|2,0,1]=4 816 B8R0.1 C/C=C/CC(=O)CCO 1458a_100011216618_100102629194 [0,1,0,0,0,0|2,0,1]=4 817 B8R0.1 C/C=C/CC(=O)COC 1458a_100000210968_100102629194 [0,1,0,0,0,0|1,0,1]=3 818 B8R0.1 C/C=C/CC(=O)CSC 1458a_100000184570_100102629194 [0,1,0,0,0,0|1,1,1]=4 819 B8R0.1 C=C(COC)OCOC 34a_100138415774_100000042856 [0,1,0,0,0,0|2,1,0]=4 820 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [0,1,0,0,0,0|2,0,1]=4 821 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [0,1,0,0,0,0|2,0,1]=4 822 B8R0.1 C=CCC(=O)CCOC 1458a_100000210193_100000233755 [0,1,0,0,0,0|1,1,1]=4 823 B8R0.1 C=CCC(=O)CCOC 1458a_100000749529_100000210623 [0,1,0,0,0,0|1,1,1]=4 824 B8R0.1 C=CCC(=O)CCSC 1458a_100000174002_100000210623 [0,1,0,0,0,0|1,0,1]=3 825 B8R0.1 C=CCC(=O)CCSC 1458a_100000210193_100000751147 [0,1,0,0,0,0|1,0,1]=3 826 B8R0.1 C=CCCC(=O)C#CC 1458a_100000763181_100000754431 [0,1,0,0,0,0|2,0,1]=4 827 B8R0.1 C=CCCC(=O)C=CC 1458a_100000210699_100000754431 [0,1,0,0,0,0|2,0,1]=4 828 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [0,1,0,0,0,0|2,0,1]=4 829 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [0,1,0,0,0,0|2,0,1]=4 830 B8R0.1 C=CCCC(=O)CCF 1458a_100000749702_100011217306 [0,1,0,0,0,0|2,0,1]=4 831 B8R0.1 C=CCCC(=O)CCO 1458a_100000749702_100000211926 [0,1,0,0,0,0|2,0,1]=4 832 B8R0.1 C=CCCC(=O)CCO 1458a_100011216618_100000754431 [0,1,0,0,0,0|2,0,1]=4 833 B8R0.1 C=CCCC(=O)COC 1458a_100000210968_100000754431 [0,1,0,0,0,0|1,0,1]=3 834 B8R0.1 C=CCCC(=O)CSC 1458a_100000184570_100000754431 [0,1,0,0,0,0|1,1,1]=4 835 B8R0.1 C=CCCC(=O)NCC 11a_100015525214_100000749702 [0,1,0,0,0,0|2,0,1]=4 836 B8R0.1 C=CCCC(=O)NCC 240690a_100015525214_100000749702 [0,1,0,0,0,0|2,0,1]=4 837 B8R0.1 C=CCCC(=O)NCC 527a_100015525214_100000749702 [0,1,0,0,0,0|2,0,1]=4 838 B8R0.1 C=CCCC(=O)NNC 22a_100016993582_100000749702 [0,1,0,0,0,0|2,0,1]=4 839 B8R0.1 C=CCNC(=O)COC 1626a_100020586998_100000210968 [0,1,0,0,0,0|2,0,1]=4 840 B8R0.1 C=CCNC(=O)COC 240690a_100020586998_100000210968 [0,1,0,0,0,0|2,0,1]=4 841 B8R0.1 C=CCNC(=O)COC 527a_100020586998_100000210968 [0,1,0,0,0,0|2,0,1]=4 842 B8R0.1 C=CCOC(=O)COC 34a_100138415774_100000033060 [0,1,0,0,0,0|2,0,1]=4 843 B8R0.1 C=COC(=O)CNCC 2230a_100015525214_100000036128 [0,1,0,0,0,0|2,0,1]=4 844 B8R0.1 C=COC(=O)COCC 34a_100121572206_100000036128 [0,1,0,0,0,0|2,0,1]=4 845 B8R0.1 C=COC(=O)CSCC 62a_100000036128_100000210202 [0,1,0,0,0,0|2,0,1]=4 846 B8R0.1 C=COC(=O)CSCC 62a_100000210202_100000036128 [0,1,0,0,0,0|2,0,1]=4 847 B8R0.1 CC#CC(=O)C/C=C/C 1458a_100000763181_100102629194 [0,1,0,0,0,0|2,0,1]=4 848 B8R0.1 CC#CC(=O)CC=CC 1458a_100000763181_100000070051 [0,1,0,0,0,0|2,0,1]=4 849 B8R0.1 CC#CC(=O)CCC#N 1458a_100000763181_100011215226 [0,1,0,0,0,0|3,0,0]=4 850 B8R0.1 CC#CC(=O)CCCC 1458a_100000763181_100000210211 [0,1,0,0,0,0|2,0,0]=3 851 B8R0.1 CC#CC(=O)CCCF 1458a_100000763181_100011934791 [0,1,0,0,0,0|3,0,0]=4 852 B8R0.1 CC#CC(=O)CCCO 1458a_100000763181_100011215043 [0,1,0,0,0,0|3,0,0]=4 853 B8R0.1 CC#CC(=O)CCOC 1458a_100000763181_100000233755 [0,1,0,0,0,0|1,1,0]=3 854 B8R0.1 CC#CC(=O)CCSC 1458a_100000763181_100000751147 [0,1,0,0,0,0|1,0,0]=2 855 B8R0.1 CC#CCC(=O)C#CC 1458a_100000763181_100000748600 [0,1,0,0,0,0|2,0,1]=4 856 B8R0.1 CC#CCC(=O)C=CC 1458a_100000210699_100000748600 [0,1,0,0,0,0|2,0,1]=4 857 B8R0.1 CC#CCC(=O)CCC 1458a_100000211992_100000748600 [0,1,0,0,0,0|2,0,1]=4 858 B8R0.1 CC#CCC(=O)CCO 1458a_100011216618_100000748600 [0,1,0,0,0,0|2,0,1]=4 859 B8R0.1 CC#CCC(=O)COC 1458a_100000210968_100000748600 [0,1,0,0,0,0|1,0,1]=3 860 B8R0.1 CC#CCC(=O)CSC 1458a_100000184570_100000748600 [0,1,0,0,0,0|1,1,1]=4 861 B8R0.1 CC=CC(=O)C/C=C/C 1458a_100000210699_100102629194 [0,1,0,0,0,0|2,0,1]=4 862 B8R0.1 CC=CC(=O)CCC#N 1458a_100000210699_100011215226 [0,1,0,0,0,0|3,0,0]=4 863 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [0,1,0,0,0,0|2,0,0]=3 864 B8R0.1 CC=CC(=O)CCCF 1458a_100000210699_100011934791 [0,1,0,0,0,0|3,0,0]=4 865 B8R0.1 CC=CC(=O)CCCO 1458a_100000210699_100011215043 [0,1,0,0,0,0|3,0,0]=4 866 B8R0.1 CC=CC(=O)CCOC 1458a_100000210699_100000233755 [0,1,0,0,0,0|1,1,0]=3 867 B8R0.1 CC=CC(=O)CCSC 1458a_100000210699_100000751147 [0,1,0,0,0,0|1,0,0]=2 868 B8R0.1 CC=CC(=O)NCCC 11a_100020643023_100000210699 [0,1,0,0,0,0|3,0,0]=4 869 B8R0.1 CC=CC(=O)NCCC 1626a_100020643023_100000210699 [0,1,0,0,0,0|3,0,0]=4 870 B8R0.1 CC=CC(=O)NCCC 240690a_100020643023_100000210699 [0,1,0,0,0,0|3,0,0]=4 871 B8R0.1 CC=CCC(=O)C=CC 1458a_100000210699_100000070051 [0,1,0,0,0,0|2,0,1]=4 872 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [0,1,0,0,0,0|2,0,1]=4 873 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [0,1,0,0,0,0|2,0,1]=4 874 B8R0.1 CC=CCC(=O)CCF 1458a_100121576822_100011217306 [0,1,0,0,0,0|2,0,1]=4 875 B8R0.1 CC=CCC(=O)CCO 1458a_100011216618_100000070051 [0,1,0,0,0,0|2,0,1]=4 876 B8R0.1 CC=CCC(=O)CCO 1458a_100121576822_100000211926 [0,1,0,0,0,0|2,0,1]=4 877 B8R0.1 CC=CCC(=O)COC 1458a_100000210968_100000070051 [0,1,0,0,0,0|1,0,1]=3 878 B8R0.1 CC=CCC(=O)CSC 1458a_100000184570_100000070051 [0,1,0,0,0,0|1,1,1]=4 879 B8R0.1 CC=CCC(=O)NCC 11a_100015525214_100121576822 [0,1,0,0,0,0|2,0,1]=4 880 B8R0.1 CC=CCC(=O)NCC 240690a_100015525214_100121576822 [0,1,0,0,0,0|2,0,1]=4 881 B8R0.1 CC=CCC(=O)NCC 527a_100015525214_100121576822 [0,1,0,0,0,0|2,0,1]=4 882 B8R0.1 CC=CCC(=O)NNC 22a_100016993582_100121576822 [0,1,0,0,0,0|2,0,1]=4 883 B8R0.1 CC=NNC(=O)COC 4a_100000216845_200000210099 [0,1,0,0,0,0|3,0,0]=4 884 B8R0.1 CCCC(=O)CCC#N 1458a_100000211992_100011215226 [0,1,0,0,0,0|3,0,0]=4 885 B8R0.1 CCCC(=O)CCC#N 1458a_100011934036_100000210303 [0,1,0,0,0,0|3,0,0]=4 886 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [0,1,0,0,0,0|3,0,0]=4 887 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [0,1,0,0,0,0|3,0,0]=4 888 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [0,1,0,0,0,0|1,1,0]=3 889 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [0,1,0,0,0,0|1,1,0]=3 890 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [0,1,0,0,0,0|1,0,0]=2 891 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [0,1,0,0,0,0|1,0,0]=2 892 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [0,1,0,0,0,0|3,0,0]=4 893 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [0,1,0,0,0,0|3,0,0]=4 894 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [0,1,0,0,0,0|3,0,0]=4 895 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [0,1,0,0,0,0|3,0,0]=4 896 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [0,1,0,0,0,0|3,0,0]=4 897 B8R0.1 CCCC(=O)OCNC 2230a_106832991635_100000034017 [0,1,0,0,0,0|3,0,0]=4 898 B8R0.1 CCCC(=O)OCNC 34a_100102657272_100000034017 [0,1,0,0,0,0|3,0,0]=4 899 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [0,1,0,0,0,0|2,1,0]=4 900 B8R0.1 CCCC(=O)OCSC 62a_200000210301_100000034017 [0,1,0,0,0,0|2,0,0]=3 901 B8R0.1 CCCC(=O)OCS[13CH3] 62a_200025704644_100000034017 [0,1,0,0,0,0|2,0,0]=3 902 B8R0.1 CCCCC(=O)C=CBr 1458a_100016273825_100000210211 [0,1,0,0,0,0|2,0,1]=4 903 B8R0.1 CCCCC(=O)C=CCl 1458a_200016279998_100000210211 [0,1,0,0,0,0|2,0,1]=4 904 B8R0.1 CCCCC(=O)C=CI 1458a_100016256311_100000210211 [0,1,0,0,0,0|2,0,1]=4 905 B8R0.1 CCCCC(=O)CC#N 1458a_100000210183_100011214920 [0,1,0,0,0,0|2,0,1]=4 906 B8R0.1 CCCCC(=O)CC#N 1458a_100051588842_100000210211 [0,1,0,0,0,0|2,0,1]=4 907 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [0,1,0,0,0,0|2,0,0]=3 908 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [0,1,0,0,0,0|2,0,0]=3 909 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [0,1,0,0,0,0|2,0,0]=3 910 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [0,1,0,0,0,0|2,0,0]=3 911 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [0,1,0,0,0,0|2,0,0]=3 912 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [0,1,0,0,0,0|1,0,0]=2 913 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [0,1,0,0,0,0|1,1,0]=3 914 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [0,1,0,0,0,0|2,0,0]=3 915 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [0,1,0,0,0,0|2,0,0]=3 916 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [0,1,0,0,0,0|2,0,0]=3 917 B8R0.1 CCCCC(=O)NNC 22a_100016993582_100000210183 [0,1,0,0,0,0|2,0,0]=3 918 B8R0.1 CCCCC(C)COC 34a_100011995851_200000210301 [0,1,0,0,0,0|2,0,1]=4 919 B8R0.1 CCCCC(C)COC 7a_100011995851_200000210301 [0,1,0,0,0,0|2,0,1]=4 920 B8R0.1 CCCCC(C)CO[13CH3] 34a_100011995851_200025704644 [0,1,0,0,0,0|2,0,1]=4 921 B8R0.1 CCCCC(C)CO[13CH3] 7a_100011995851_200025704644 [0,1,0,0,0,0|2,0,1]=4 922 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [0,1,0,0,0,0|2,0,1]=4 923 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [0,1,0,0,0,0|2,0,1]=4 924 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [0,1,0,0,0,0|2,0,1]=4 925 B8R0.1 CCCCC(C)OCF 34a_100000687866_100015361967 [0,1,0,0,0,0|2,0,1]=4 926 B8R0.1 CCCCC(C)OCF 7a_100000687866_100015361967 [0,1,0,0,0,0|2,0,1]=4 927 B8R0.1 CCCCN(C)COC 2230a_100000207549_100000766300 [0,1,0,0,0,0|3,0,0]=4 928 B8R0.1 CCCCN(C)COC 269982a_100000207549_100000766300 [0,1,0,0,0,0|3,0,0]=4 929 B8R0.1 CCCC[C@H](N)COC 34a_100011934283_200000210301 [0,1,0,0,0,0|2,0,1]=4 930 B8R0.1 CCCC[C@H](N)CO[13CH3] 34a_100011934283_200025704644 [0,1,0,0,0,0|2,0,1]=4 931 B8R0.1 CCCN(C)CCSC 2230a_100000686725_100000210303 [0,1,0,0,0,0|3,0,0]=4 932 B8R0.1 CCCN(C)CCSC 2230a_100000747261_100000751147 [0,1,0,0,0,0|3,0,0]=4 933 B8R0.1 CCCN(C)CCSC 269982a_100000686725_100000210303 [0,1,0,0,0,0|3,0,0]=4 934 B8R0.1 CCCN(C)CCSC 269982a_100000747261_100000212216 [0,1,0,0,0,0|3,0,0]=4 935 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [0,1,0,0,0,0|3,0,0]=4 936 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [0,1,0,0,0,0|3,0,0]=4 937 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [0,1,0,0,0,0|3,0,0]=4 938 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [0,1,0,0,0,0|3,0,0]=4 939 B8R0.1 CCCNC(=O)CCO 240690a_100020643023_100011216618 [0,1,0,0,0,0|3,0,0]=4 940 B8R0.1 CCCNC(=O)CNC 2230a_100000174927_200000210301 [0,1,0,0,0,0|3,0,0]=4 941 B8R0.1 CCCNC(=O)CNC 2230a_106832991635_100000183358 [0,1,0,0,0,0|3,0,0]=4 942 B8R0.1 CCCNC(=O)CNC 34a_100102657272_100000183358 [0,1,0,0,0,0|3,0,0]=4 943 B8R0.1 CCCNC(=O)CNC 7a_106832991635_100000183358 [0,1,0,0,0,0|3,0,0]=4 944 B8R0.1 CCCNC(=O)CN[13CH3] 2230a_100000174927_200025704644 [0,1,0,0,0,0|3,0,0]=4 945 B8R0.1 CCCNC(=O)COC 11a_100020643023_100000210968 [0,1,0,0,0,0|2,0,0]=3 946 B8R0.1 CCCNC(=O)COC 1626a_100020643023_100000210968 [0,1,0,0,0,0|2,0,0]=3 947 B8R0.1 CCCNC(=O)COC 240690a_100020643023_100000210968 [0,1,0,0,0,0|2,0,0]=3 948 B8R0.1 CCCNC(=O)COC 34a_100138415774_100000183358 [0,1,0,0,0,0|2,0,0]=3 949 B8R0.1 CCCNC(=O)COC 527a_100020643023_100000210968 [0,1,0,0,0,0|2,0,0]=3 950 B8R0.1 CCCNC(=O)CSC 11a_100020643023_100000184570 [0,1,0,0,0,0|2,1,0]=4 951 B8R0.1 CCCNC(=O)CSC 1626a_100020643023_100000184570 [0,1,0,0,0,0|2,1,0]=4 952 B8R0.1 CCCNC(=O)CSC 240690a_100020643023_100000184570 [0,1,0,0,0,0|2,1,0]=4 953 B8R0.1 CCCNC(=O)CSC 527a_100020643023_100000184570 [0,1,0,0,0,0|2,1,0]=4 954 B8R0.1 CCCNC(=O)CSC 62a_100000183358_200000210301 [0,1,0,0,0,0|2,1,0]=4 955 B8R0.1 CCCNC(=O)CSC 62a_200000210301_100000183358 [0,1,0,0,0,0|2,1,0]=4 956 B8R0.1 CCCNC(=O)CS[13CH3] 62a_100000183358_200025704644 [0,1,0,0,0,0|2,1,0]=4 957 B8R0.1 CCCNC(=O)CS[13CH3] 62a_200025704644_100000183358 [0,1,0,0,0,0|2,1,0]=4 958 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [0,1,0,0,0,0|3,0,0]=4 959 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [0,1,0,0,0,0|3,0,0]=4 960 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [0,1,0,0,0,0|3,0,0]=4 961 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [0,1,0,0,0,0|3,0,0]=4 962 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [0,1,0,0,0,0|3,0,0]=4 963 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [0,1,0,0,0,0|3,0,0]=4 964 B8R0.1 CCCNC(=O)NNC 273464a_100020643023_100016993582 [0,1,0,0,0,0|3,0,0]=4 965 B8R0.1 CCCNC(=O)NNC 512a_100016993582_100020643023 [0,1,0,0,0,0|3,0,0]=4 966 B8R0.1 CCCNC(=O)NNC 512a_100020643023_100016993582 [0,1,0,0,0,0|3,0,0]=4 967 B8R0.1 CCCOC(=O)CNC 2230a_106832991635_200011215008 [0,1,0,0,0,0|3,0,0]=4 968 B8R0.1 CCCOC(=O)CNC 34a_100102657272_200011215008 [0,1,0,0,0,0|3,0,0]=4 969 B8R0.1 CCCOC(=O)CNC 7a_106832991635_200011215008 [0,1,0,0,0,0|3,0,0]=4 970 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [0,1,0,0,0,0|2,0,0]=3 971 B8R0.1 CCCOC(=O)CSC 62a_200000210301_200011215008 [0,1,0,0,0,0|2,1,0]=4 972 B8R0.1 CCCOC(=O)CSC 62a_200011215008_200000210301 [0,1,0,0,0,0|2,1,0]=4 973 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200011215008_200025704644 [0,1,0,0,0,0|2,1,0]=4 974 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200025704644_200011215008 [0,1,0,0,0,0|2,1,0]=4 975 B8R0.1 CCNC(=O)CCC#N 11a_100015525214_100011934036 [0,1,0,0,0,0|3,0,0]=4 976 B8R0.1 CCNC(=O)CCC#N 240690a_100015525214_100011934036 [0,1,0,0,0,0|3,0,0]=4 977 B8R0.1 CCNC(=O)CCC#N 527a_100015525214_100011934036 [0,1,0,0,0,0|3,0,0]=4 978 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [0,1,0,0,0,0|2,0,0]=3 979 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [0,1,0,0,0,0|2,0,0]=3 980 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [0,1,0,0,0,0|2,0,0]=3 981 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [0,1,0,0,0,0|2,0,0]=3 982 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [0,1,0,0,0,0|1,1,0]=3 983 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [0,1,0,0,0,0|1,1,0]=3 984 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [0,1,0,0,0,0|1,1,0]=3 985 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [0,1,0,0,0,0|1,0,0]=2 986 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [0,1,0,0,0,0|1,0,0]=2 987 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [0,1,0,0,0,0|1,0,0]=2 988 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [0,1,0,0,0,0|1,0,0]=2 989 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [0,1,0,0,0,0|1,0,0]=2 990 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [0,1,0,0,0,0|1,0,0]=2 991 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [0,1,0,0,0,0|1,0,0]=2 992 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [0,1,0,0,0,0|3,0,0]=4 993 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [0,1,0,0,0,0|3,0,0]=4 994 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [0,1,0,0,0,0|3,0,0]=4 995 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [0,1,0,0,0,0|3,0,0]=4 996 B8R0.1 CCNC(=O)CSCC 11a_100015525214_100000230394 [0,1,0,0,0,0|3,0,0]=4 997 B8R0.1 CCNC(=O)CSCC 240690a_100015525214_100000230394 [0,1,0,0,0,0|3,0,0]=4 998 B8R0.1 CCNC(=O)CSCC 527a_100015525214_100000230394 [0,1,0,0,0,0|3,0,0]=4 999 B8R0.1 CCNC(=O)CSCC 62a_100000183381_100000210202 [0,1,0,0,0,0|3,0,0]=4 1000 B8R0.1 CCNC(=O)CSCC 62a_100000210202_100000183381 [0,1,0,0,0,0|3,0,0]=4 1001 B8R0.1 CCNC(C)CCSC 270004a_100015525214_100011217047 [0,1,0,0,0,0|2,0,1]=4 1002 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [0,1,0,0,0,0|3,0,0]=4 1003 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [0,1,0,0,0,0|3,0,0]=4 1004 B8R0.1 CCNCC(=O)NCO 2230a_100015525214_100000185155 [0,1,0,0,0,0|3,0,0]=4 1005 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [0,1,0,0,0,0|2,0,0]=3 1006 B8R0.1 CCNNC(=O)COC 22a_100000756455_100000210968 [0,1,0,0,0,0|3,0,0]=4 1007 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [0,1,0,0,0,0|1,0,0]=2 1008 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [0,1,0,0,0,0|1,0,0]=2 1009 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [0,1,0,0,0,0|1,0,0]=2 1010 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [0,1,0,0,0,0|0,1,0]=2 1011 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [0,1,0,0,0,0|0,0,0]=1 1012 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [0,1,0,0,0,0|0,0,0]=1 1013 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [0,1,0,0,0,0|0,0,0]=1 1014 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [0,1,0,0,0,0|0,0,0]=1 1015 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [0,1,0,0,0,0|2,0,0]=3 1016 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [0,1,0,0,0,0|2,0,0]=3 1017 B8R0.1 CCOC(=O)CSCF 62a_100000188475_100015361967 [0,1,0,0,0,0|3,0,0]=4 1018 B8R0.1 CCOC(=O)CSCF 62a_100015361967_100000188475 [0,1,0,0,0,0|3,0,0]=4 1019 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [0,1,0,0,0,0|1,0,0]=2 1020 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [0,1,0,0,0,0|1,0,0]=2 1021 B8R0.1 CCOCC(=O)CCF 1458a_100000211967_100011217306 [0,1,0,0,0,0|3,0,0]=4 1022 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [0,1,0,0,0,0|3,0,0]=4 1023 B8R0.1 CCOCC(=O)NCO 34a_100121572206_100000185155 [0,1,0,0,0,0|3,0,0]=4 1024 B8R0.1 CCOCC(=O)NNC 22a_100016993582_100000211967 [0,1,0,0,0,0|3,0,0]=4 1025 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [0,1,0,0,0,0|2,0,0]=3 1026 B8R0.1 CCSCC(=O)CCF 1458a_100000230394_100011217306 [0,1,0,0,0,0|3,0,0]=4 1027 B8R0.1 CCSCC(=O)CCO 1458a_100000230394_100000211926 [0,1,0,0,0,0|3,0,0]=4 1028 B8R0.1 CCSCC(=O)NCO 62a_100000185155_100000210202 [0,1,0,0,0,0|3,0,0]=4 1029 B8R0.1 CCSCC(=O)NCO 62a_100000210202_100000185155 [0,1,0,0,0,0|3,0,0]=4 1030 B8R0.1 CCSCC(=O)NNC 22a_100016993582_100000230394 [0,1,0,0,0,0|3,0,0]=4 1031 B8R0.1 CNNC(=O)CCC#N 22a_100016993582_100011934036 [0,1,0,0,0,0|3,0,0]=4 1032 B8R0.1 CNNC(=O)CCOC 22a_100016993582_100000749529 [0,1,0,0,0,0|1,1,0]=3 1033 B8R0.1 CNNC(=O)CCSC 22a_100016993582_100000174002 [0,1,0,0,0,0|1,0,0]=2 1034 B8R0.1 COCC(=O)CCC#N 1458a_100000210968_100011215226 [0,1,0,0,0,0|2,0,0]=3 1035 B8R0.1 COCC(=O)CCCF 1458a_100000210968_100011934791 [0,1,0,0,0,0|2,0,0]=3 1036 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [0,1,0,0,0,0|2,0,0]=3 1037 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [0,1,0,0,0,0|0,0,0]=1 1038 B8R0.1 COCC(=O)NCC#N 1626a_100000734998_100000210968 [0,1,0,0,0,0|3,0,0]=4 1039 B8R0.1 COCC(=O)NCC#N 527a_100000734998_100000210968 [0,1,0,0,0,0|3,0,0]=4 1040 B8R0.1 COCC(=O)NCCF 11a_100000724931_100000210968 [0,1,0,0,0,0|3,0,0]=4 1041 B8R0.1 COCC(=O)NCCF 1626a_100000724931_100000210968 [0,1,0,0,0,0|3,0,0]=4 1042 B8R0.1 COCC(=O)NCCF 240690a_100000724931_100000210968 [0,1,0,0,0,0|3,0,0]=4 1043 B8R0.1 COCC(=O)NCCF 527a_100000724931_100000210968 [0,1,0,0,0,0|3,0,0]=4 1044 B8R0.1 COCC(=O)NCCO 240690a_100000210304_100000210968 [0,1,0,0,0,0|3,0,0]=4 1045 B8R0.1 COCC(=O)NCCO 527a_100000210304_100000210968 [0,1,0,0,0,0|3,0,0]=4 1046 B8R0.1 COCC(C)SCSC 62a_100000765312_100011218213 [0,1,0,0,0,0|2,0,1]=4 1047 B8R0.1 COCC(C)SCSC 62a_100011218213_100000765312 [0,1,0,0,0,0|2,0,1]=4 1048 B8R0.1 COCCC(=O)C=CBr 1458a_100016273825_100000233755 [0,1,0,0,0,0|1,1,1]=4 1049 B8R0.1 COCCC(=O)C=CCl 1458a_200016279998_100000233755 [0,1,0,0,0,0|1,1,1]=4 1050 B8R0.1 COCCC(=O)C=CI 1458a_100016256311_100000233755 [0,1,0,0,0,0|1,1,1]=4 1051 B8R0.1 COCCC(=O)CC#N 1458a_100000749529_100011214920 [0,1,0,0,0,0|1,1,1]=4 1052 B8R0.1 COCCC(=O)CC#N 1458a_100051588842_100000233755 [0,1,0,0,0,0|1,1,1]=4 1053 B8R0.1 COCCC(=O)CCF 1458a_100000749529_100011217306 [0,1,0,0,0,0|1,1,0]=3 1054 B8R0.1 COCCC(=O)CCO 1458a_100000749529_100000211926 [0,1,0,0,0,0|1,1,0]=3 1055 B8R0.1 COCCC(=O)CCO 1458a_100011216618_100000233755 [0,1,0,0,0,0|1,1,0]=3 1056 B8R0.1 COCCC(=O)COC 1458a_100000210968_100000233755 [0,1,0,0,0,0|0,1,0]=2 1057 B8R0.1 COCCC(=O)CSC 1458a_100000184570_100000233755 [0,1,0,0,0,0|0,2,0]=3 1058 B8R0.1 COCCN(C)COC 2230a_100000743101_100000766300 [0,1,0,0,0,0|2,1,0]=4 1059 B8R0.1 COCCN(C)COC 269982a_100000743101_100000766300 [0,1,0,0,0,0|2,1,0]=4 1060 B8R0.1 COCN(C)CCSC 2230a_100000686725_100000766300 [0,1,0,0,0,0|2,0,0]=3 1061 B8R0.1 COCN(C)CCSC 269982a_100000686725_100000766300 [0,1,0,0,0,0|2,0,0]=3 1062 B8R0.1 COC[C@@H](C)NCSC 2230a_100000764878_100011218213 [0,1,0,0,0,0|2,0,1]=4 1063 B8R0.1 COC[C@@H](C)OCSC 34a_100011934205_100011218213 [0,1,0,0,0,0|2,0,1]=4 1064 B8R0.1 COC[C@@H](N)CCSC 34a_100011827619_200000210301 [0,1,0,0,0,0|1,0,1]=3 1065 B8R0.1 CSCC(=O)CCC#N 1458a_100000184570_100011215226 [0,1,0,0,0,0|2,1,0]=4 1066 B8R0.1 CSCC(=O)CCCF 1458a_100000184570_100011934791 [0,1,0,0,0,0|2,1,0]=4 1067 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [0,1,0,0,0,0|2,1,0]=4 1068 B8R0.1 CSCCC(=O)C=CBr 1458a_100016273825_100000751147 [0,1,0,0,0,0|1,0,1]=3 1069 B8R0.1 CSCCC(=O)C=CCl 1458a_200016279998_100000751147 [0,1,0,0,0,0|1,0,1]=3 1070 B8R0.1 CSCCC(=O)C=CI 1458a_100016256311_100000751147 [0,1,0,0,0,0|1,0,1]=3 1071 B8R0.1 CSCCC(=O)CC#N 1458a_100000174002_100011214920 [0,1,0,0,0,0|1,0,1]=3 1072 B8R0.1 CSCCC(=O)CC#N 1458a_100051588842_100000751147 [0,1,0,0,0,0|1,0,1]=3 1073 B8R0.1 CSCCC(=O)CCF 1458a_100000174002_100011217306 [0,1,0,0,0,0|1,0,0]=2 1074 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [0,1,0,0,0,0|1,0,0]=2 1075 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [0,1,0,0,0,0|1,0,0]=2 1076 B8R0.1 CSCCC(=O)CSC 1458a_100000184570_100000751147 [0,1,0,0,0,0|0,1,0]=2 1077 B8R0.1 CSCCN(C)CCF 2230a_100000686725_100011217306 [0,1,0,0,0,0|3,0,0]=4 1078 B8R0.1 CSCCN(C)CCF 269982a_100000686725_100011217306 [0,1,0,0,0,0|3,0,0]=4 1079 B8R0.1 CSCCN(C)CCO 2230a_100000210263_100000751147 [0,1,0,0,0,0|3,0,0]=4 1080 B8R0.1 CSCCN(C)CCO 2230a_100000686725_100000211926 [0,1,0,0,0,0|3,0,0]=4 1081 B8R0.1 CSCCN(C)CCO 269982a_100000210263_100000212216 [0,1,0,0,0,0|3,0,0]=4 1082 B8R0.1 CSCCN(C)CCO 269982a_100000686725_100000211926 [0,1,0,0,0,0|3,0,0]=4 1083 B8R0.1 CSCCN(C)CSC 2230a_100000686725_100011218213 [0,1,0,0,0,0|2,1,0]=4 1084 B8R0.1 CSCCN(C)CSC 269982a_100000686725_100011218213 [0,1,0,0,0,0|2,1,0]=4 1085 B8R0.1 CSCC[C@H](N)CO[13CH3] 34a_100011827619_200025704644 [0,1,0,0,0,0|1,0,1]=3 1086 B8R0.1 N#CCCC(=O)CCF 1458a_100011934036_100011217306 [0,1,0,0,0,0|3,0,0]=4 1087 B8R0.1 N#CCCC(=O)CCO 1458a_100011216618_100011215226 [0,1,0,0,0,0|3,0,0]=4 1088 B8R0.1 N#CCCC(=O)CCO 1458a_100011934036_100000211926 [0,1,0,0,0,0|3,0,0]=4 1089 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [0,1,0,0,0,0|3,0,0]=4 1090 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [0,1,0,0,0,0|3,0,0]=4 1091 B8R0.3 C#CC(=O)C(C)CCC 1458a_100000211873_100000766640 [0,1,0,0,0,0|2,0,1]=4 1092 B8R0.3 C#CC(=O)C(C)COC 1458a_100000211873_100000765312 [0,1,0,0,0,0|1,1,1]=4 1093 B8R0.3 C=C(CNC)C(=O)OC 34a_100102657272_100009813391 [0,1,0,0,0,0|1,0,1]=3 1094 B8R0.3 C=C(COC)C(=O)OC 34a_100138415774_100009813391 [0,1,0,0,0,0|0,1,1]=3 1095 B8R0.3 C=C(CSC)C(=O)OC 62a_100009813391_200000210301 [0,1,0,0,0,0|0,0,1]=2 1096 B8R0.3 C=C(CSC)C(=O)OC 62a_200000210301_100009813391 [0,1,0,0,0,0|0,0,1]=2 1097 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_100009813391_200025704644 [0,1,0,0,0,0|0,0,1]=2 1098 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_200025704644_100009813391 [0,1,0,0,0,0|0,0,1]=2 1099 B8R0.3 C=CC(=O)C(C)CCC 1458a_100000185746_100000766640 [0,1,0,0,0,0|2,0,1]=4 1100 B8R0.3 C=CC(=O)C(C)COC 1458a_100000185746_100000765312 [0,1,0,0,0,0|1,1,1]=4 1101 B8R0.3 C=CCC(C)C(=O)CC 1458a_100011216819_100000210202 [0,1,0,0,0,0|2,0,1]=4 1102 B8R0.3 C=CCC(C)C(=O)NC 11a_106832991635_100011216819 [0,1,0,0,0,0|2,0,1]=4 1103 B8R0.3 C=CCC(C)C(=O)NC 1626a_100102657272_100011216819 [0,1,0,0,0,0|2,0,1]=4 1104 B8R0.3 C=CCC(C)C(=O)NC 240690a_100102657272_100011216819 [0,1,0,0,0,0|2,0,1]=4 1105 B8R0.3 C=CCC(C)C(=O)NC 527a_100102657272_100011216819 [0,1,0,0,0,0|2,0,1]=4 1106 B8R0.3 CCC(=O)C(C)CC#N 1458a_100000210414_100009813641 [0,1,0,0,0,0|3,0,0]=4 1107 B8R0.3 CCC(=O)C(C)CCO 1458a_100000210414_100009893172 [0,1,0,0,0,0|3,0,0]=4 1108 B8R0.3 CCC(=O)C(C)COC 1458a_100000210414_100000765312 [0,1,0,0,0,0|1,1,0]=3 1109 B8R0.3 CCC(=O)C(C)COC 1458a_100000751857_100000210202 [0,1,0,0,0,0|1,1,0]=3 1110 B8R0.3 CCC(=O)C(C)CSC 1458a_100000753918_100000210202 [0,1,0,0,0,0|1,0,0]=2 1111 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [0,1,0,0,0,0|2,0,1]=4 1112 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [0,1,0,0,0,0|2,0,0]=3 1113 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [0,1,0,0,0,0|2,0,0]=3 1114 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [0,1,0,0,0,0|3,0,0]=4 1115 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [0,1,0,0,0,0|3,0,0]=4 1116 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [0,1,0,0,0,0|2,0,0]=3 1117 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [0,1,0,0,0,0|2,0,0]=3 1118 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [0,1,0,0,0,0|2,0,0]=3 1119 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [0,1,0,0,0,0|2,0,0]=3 1120 B8R0.3 CCCC(C)C(C)OC 34a_100000708338_200000210301 [0,1,0,0,0,0|2,0,1]=4 1121 B8R0.3 CCCC(C)C(C)OC 7a_100000708338_200000210301 [0,1,0,0,0,0|2,0,1]=4 1122 B8R0.3 CCCC(C)C(C)O[13CH3] 34a_100000708338_200025704644 [0,1,0,0,0,0|2,0,1]=4 1123 B8R0.3 CCCC(C)C(C)O[13CH3] 7a_100000708338_200025704644 [0,1,0,0,0,0|2,0,1]=4 1124 B8R0.3 CCCN(C)C(=O)CC 11a_100000747261_100000210414 [0,1,0,0,0,0|3,0,0]=4 1125 B8R0.3 CCCN(C)C(=O)CC 1626a_100000747261_100000210414 [0,1,0,0,0,0|3,0,0]=4 1126 B8R0.3 CCCN(C)C(=O)CC 240690a_100000747261_100000210414 [0,1,0,0,0,0|3,0,0]=4 1127 B8R0.3 CCCN(C)C(=O)CC 527a_100000747261_100000210414 [0,1,0,0,0,0|3,0,0]=4 1128 B8R0.3 CCCN(C)C(=O)NC 2708a_100102657272_100000747261 [0,1,0,0,0,0|3,0,0]=4 1129 B8R0.3 CCCN(C)C(=O)NC 273464a_100102657272_100000747261 [0,1,0,0,0,0|3,0,0]=4 1130 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [0,1,0,0,0,0|2,0,0]=3 1131 B8R0.3 CCC[C@H](O)C(=O)CF 1458a_100009822183_100015361967 [0,1,0,0,0,0|3,0,0]=4 1132 B8R0.3 CCC[C@H](O)C(=O)NC 240690a_100102657272_100009822183 [0,1,0,0,0,0|2,0,0]=3 1133 B8R0.3 CCNC(=O)C(=O)OC 11a_100015525214_100000024059 [0,1,0,0,0,0|2,0,1]=4 1134 B8R0.3 CCNC(=O)C(=O)OC 240690a_100015525214_100000024059 [0,1,0,0,0,0|2,0,1]=4 1135 B8R0.3 CCNC(=O)C(=O)OC 527a_100015525214_100000024059 [0,1,0,0,0,0|2,0,1]=4 1136 B8R0.3 CCNC(C)C(=O)CC 2230a_100015525214_100000742827 [0,1,0,0,0,0|3,0,0]=4 1137 B8R0.3 CCNC(C)C(=O)NC 2230a_100015525214_100000731044 [0,1,0,0,0,0|3,0,0]=4 1138 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [0,1,0,0,0,0|2,0,0]=3 1139 B8R0.3 CCNC(F)C(=O)NC 2230a_100015525214_100009813575 [0,1,0,0,0,0|3,0,0]=4 1140 B8R0.3 CCN[C@H](C)C(=O)NC 2230a_100000684985_100000210202 [0,1,0,0,0,0|3,0,0]=4 1141 B8R0.3 CCN[C@H](C)C(=O)NC 34a_100000684985_100000210202 [0,1,0,0,0,0|3,0,0]=4 1142 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [0,1,0,0,0,0|3,0,0]=4 1143 B8R0.3 CCOC(C)C(=O)NC 11a_106832991635_100000739345 [0,1,0,0,0,0|3,0,0]=4 1144 B8R0.3 CCOC(C)C(=O)NC 1626a_100102657272_100000739345 [0,1,0,0,0,0|3,0,0]=4 1145 B8R0.3 CCOC(C)C(=O)NC 240690a_100102657272_100000739345 [0,1,0,0,0,0|3,0,0]=4 1146 B8R0.3 CCOC(C)C(=O)NC 34a_100121572206_100000731044 [0,1,0,0,0,0|3,0,0]=4 1147 B8R0.3 CCOC(C)C(=O)NC 527a_100102657272_100000739345 [0,1,0,0,0,0|3,0,0]=4 1148 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [0,1,0,0,0,0|2,0,0]=3 1149 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [0,1,0,0,0,0|2,0,0]=3 1150 B8R0.3 CCOC(F)C(=O)NC 34a_100121572206_100009813575 [0,1,0,0,0,0|3,0,0]=4 1151 B8R0.3 CCSC(C)C(=O)CC 1458a_100000230601_100000210202 [0,1,0,0,0,0|3,0,0]=4 1152 B8R0.3 CCSC(C)C(=O)CC 62a_100000210202_100000742827 [0,1,0,0,0,0|3,0,0]=4 1153 B8R0.3 CCSC(C)C(=O)CC 62a_100000742827_100000210202 [0,1,0,0,0,0|3,0,0]=4 1154 B8R0.3 CCSC(C)C(=O)NC 11a_106832991635_100000230601 [0,1,0,0,0,0|3,0,0]=4 1155 B8R0.3 CCSC(C)C(=O)NC 1626a_100102657272_100000230601 [0,1,0,0,0,0|3,0,0]=4 1156 B8R0.3 CCSC(C)C(=O)NC 240690a_100102657272_100000230601 [0,1,0,0,0,0|3,0,0]=4 1157 B8R0.3 CCSC(C)C(=O)NC 527a_100102657272_100000230601 [0,1,0,0,0,0|3,0,0]=4 1158 B8R0.3 CCSC(C)C(=O)NC 62a_100000209862_100000210202 [0,1,0,0,0,0|3,0,0]=4 1159 B8R0.3 CCSC(C)C(=O)NC 62a_100000210202_100000731044 [0,1,0,0,0,0|3,0,0]=4 1160 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [0,1,0,0,0,0|2,0,0]=3 1161 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [0,1,0,0,0,0|2,0,0]=3 1162 B8R0.3 CCSC(F)C(=O)NC 62a_100000210202_100009813575 [0,1,0,0,0,0|3,0,0]=4 1163 B8R0.3 CCSC(F)C(=O)NC 62a_100009813575_100000210202 [0,1,0,0,0,0|3,0,0]=4 1164 B8R0.3 CNC(=O)C(C)CN[13CH3] 2230a_100015187722_200025704644 [0,1,0,0,0,0|2,0,0]=3 1165 B8R0.3 CNC(=O)C(C)CN[13CH3] 34a_100015187722_200025704644 [0,1,0,0,0,0|2,0,0]=3 1166 B8R0.3 CNC(=O)C(C)COC 11a_106832991635_100000751857 [0,1,0,0,0,0|1,1,0]=3 1167 B8R0.3 CNC(=O)C(C)COC 1626a_100102657272_100000751857 [0,1,0,0,0,0|1,1,0]=3 1168 B8R0.3 CNC(=O)C(C)COC 240690a_100102657272_100000751857 [0,1,0,0,0,0|1,1,0]=3 1169 B8R0.3 CNC(=O)C(C)COC 527a_100102657272_100000751857 [0,1,0,0,0,0|1,1,0]=3 1170 B8R0.3 CNC(=O)C(C)CSC 11a_106832991635_100000753918 [0,1,0,0,0,0|1,0,0]=2 1171 B8R0.3 CNC(=O)C(C)CSC 1626a_100102657272_100000753918 [0,1,0,0,0,0|1,0,0]=2 1172 B8R0.3 CNC(=O)C(C)CSC 240690a_100102657272_100000753918 [0,1,0,0,0,0|1,0,0]=2 1173 B8R0.3 CNC(=O)C(C)CSC 527a_100102657272_100000753918 [0,1,0,0,0,0|1,0,0]=2 1174 B8R0.3 CNCC(=O)C(=O)OC 34a_100102657272_100011610305 [0,1,0,0,0,0|1,0,1]=3 1175 B8R0.3 CNCC(C)C(=O)NC 2230a_100015187722_200000210301 [0,1,0,0,0,0|2,0,0]=3 1176 B8R0.3 CNCC(C)C(=O)NC 34a_100015187722_200000210301 [0,1,0,0,0,0|2,0,0]=3 1177 B8R0.3 CNCC(C)C(=O)OC 34a_100102657272_100000698445 [0,1,0,0,0,0|1,0,0]=2 1178 B8R0.3 COC(=O)C(=O)CSC 62a_100011610305_200000210301 [0,1,0,0,0,0|0,0,1]=2 1179 B8R0.3 COC(=O)C(=O)CSC 62a_200000210301_100011610305 [0,1,0,0,0,0|0,0,1]=2 1180 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_100011610305_200025704644 [0,1,0,0,0,0|0,0,1]=2 1181 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_200025704644_100011610305 [0,1,0,0,0,0|0,0,1]=2 1182 B8R0.3 COC(=O)C(C)CO[13CH3] 34a_100000749362_200025704644 [0,1,0,0,0,0|0,1,0]=2 1183 B8R0.3 COC(=O)C(C)CO[13CH3] 7a_100000749362_200025704644 [0,1,0,0,0,0|0,1,0]=2 1184 B8R0.3 COC(=O)C(C)CSC 62a_100000698445_200000210301 [0,1,0,0,0,0|0,0,0]=1 1185 B8R0.3 COC(=O)C(C)CSC 62a_200000210301_100000698445 [0,1,0,0,0,0|0,0,0]=1 1186 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_100000698445_200025704644 [0,1,0,0,0,0|0,0,0]=1 1187 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_200025704644_100000698445 [0,1,0,0,0,0|0,0,0]=1 1188 B8R0.3 COC(=O)C(C)OCF 34a_100011215400_100015361967 [0,1,0,0,0,0|3,0,0]=4 1189 B8R0.3 COC(=O)C(C)SCF 62a_100000211248_100015361967 [0,1,0,0,0,0|3,0,0]=4 1190 B8R0.3 COC(=O)C(C)SCF 62a_100015361967_100000211248 [0,1,0,0,0,0|3,0,0]=4 1191 B8R0.3 COC(=O)C(F)CO[13CH3] 34a_200009849844_200025704644 [0,1,0,0,0,0|0,1,0]=2 1192 B8R0.3 COC(=O)[C@H](N)CO[13CH3] 34a_100000003586_200025704644 [0,1,0,0,0,0|0,1,0]=2 1193 B8R0.3 COCC(=O)C(=O)OC 34a_100138415774_100011610305 [0,1,0,0,0,0|0,1,1]=3 1194 B8R0.3 COCC(C)C(=O)CF 1458a_100000751857_100015361967 [0,1,0,0,0,0|2,1,0]=4 1195 B8R0.3 COCC(C)C(=O)CO 1458a_100000210174_100000765312 [0,1,0,0,0,0|2,1,0]=4 1196 B8R0.3 COCC(C)C(=O)OC 34a_100000749362_200000210301 [0,1,0,0,0,0|0,1,0]=2 1197 B8R0.3 COCC(C)C(=O)OC 34a_100138415774_100000698445 [0,1,0,0,0,0|0,1,0]=2 1198 B8R0.3 COCC(C)C(=O)OC 7a_100000749362_200000210301 [0,1,0,0,0,0|0,1,0]=2 1199 B8R0.3 COCC(F)C(=O)OC 34a_200009849844_200000210301 [0,1,0,0,0,0|0,1,0]=2 1200 B8R0.3 COCC(N)C(=O)NN 34a_100016989258_200000210301 [0,1,0,0,0,0|2,1,0]=4 1201 B8R0.3 COC[C@@H](N)C(=O)OC 34a_100000003586_200000210301 [0,1,0,0,0,0|0,1,0]=2 1202 B8R0.3 CON(C)C(=O)CSC 62a_100000764215_200000210301 [0,1,0,0,0,0|2,0,1]=4 1203 B8R0.3 CON(C)C(=O)CSC 62a_200000210301_100000764215 [0,1,0,0,0,0|2,0,1]=4 1204 B8R0.3 CON(C)C(=O)CS[13CH3] 62a_100000764215_200025704644 [0,1,0,0,0,0|2,0,1]=4 1205 B8R0.3 CON(C)C(=O)CS[13CH3] 62a_200025704644_100000764215 [0,1,0,0,0,0|2,0,1]=4 1206 B8R0.3 CSCC(C)C(=O)CF 1458a_100000753918_100015361967 [0,1,0,0,0,0|2,0,0]=3 1207 B8R0.3 [13CH3]OCC(N)C(=O)NN 34a_100016989258_200025704644 [0,1,0,0,0,0|2,1,0]=4 1208 B8R0.6 C#CC(=O)CCCCC 1458a_100000211873_100000210326 [0,1,0,0,0,0|2,0,1]=4 1209 B8R0.6 C#CC(=O)CCCCF 1458a_100000211873_100000729493 [0,1,0,0,0,0|2,0,1]=4 1210 B8R0.6 C#CC(=O)CCCCO 1458a_100000211873_100000210776 [0,1,0,0,0,0|2,0,1]=4 1211 B8R0.6 C#CC(=O)CCCOC 1458a_100000211873_100000740836 [0,1,0,0,0,0|1,1,1]=4 1212 B8R0.6 C#CC(=O)CCOCC 1458a_100000211873_100011215890 [0,1,0,0,0,0|1,1,1]=4 1213 B8R0.6 C#CC(=O)CCSCC 1458a_100000211873_100000757381 [0,1,0,0,0,0|1,0,1]=3 1214 B8R0.6 C#CCCCC(=O)CC 1458a_100000210414_100000731252 [0,1,0,0,0,0|2,0,1]=4 1215 B8R0.6 C#CCCCC(=O)CC 1458a_100000690238_100000210202 [0,1,0,0,0,0|2,0,1]=4 1216 B8R0.6 C#CCCCC(=O)NC 11a_106832991635_100000690238 [0,1,0,0,0,0|2,0,1]=4 1217 B8R0.6 C#CCCCC(=O)NC 1626a_100102657272_100000690238 [0,1,0,0,0,0|2,0,1]=4 1218 B8R0.6 C#CCCCC(=O)NC 240690a_100102657272_100000690238 [0,1,0,0,0,0|2,0,1]=4 1219 B8R0.6 C#CCCCC(=O)NC 527a_100102657272_100000690238 [0,1,0,0,0,0|2,0,1]=4 1220 B8R0.6 C#CCCNC(=O)CC 11a_100000755551_100000210414 [0,1,0,0,0,0|2,0,1]=4 1221 B8R0.6 C#CCCNC(=O)CC 1626a_100000755551_100000210414 [0,1,0,0,0,0|2,0,1]=4 1222 B8R0.6 C#CCCNC(=O)CC 240690a_100000755551_100000210414 [0,1,0,0,0,0|2,0,1]=4 1223 B8R0.6 C#CCCNC(=O)CC 527a_100000755551_100000210414 [0,1,0,0,0,0|2,0,1]=4 1224 B8R0.6 C#CCCNC(=O)NC 2708a_100000755551_106832991635 [0,1,0,0,0,0|2,0,1]=4 1225 B8R0.6 C#CCCNC(=O)NC 2708a_100102657272_100000755551 [0,1,0,0,0,0|2,0,1]=4 1226 B8R0.6 C#CCCNC(=O)NC 273464a_100000755551_100102657272 [0,1,0,0,0,0|2,0,1]=4 1227 B8R0.6 C#CCCNC(=O)NC 273464a_100102657272_100000755551 [0,1,0,0,0,0|2,0,1]=4 1228 B8R0.6 C#CCCNC(=O)NC 512a_100000755551_100102657272 [0,1,0,0,0,0|2,0,1]=4 1229 B8R0.6 C#CCCNC(=O)NC 512a_106832991638_100000755551 [0,1,0,0,0,0|2,0,1]=4 1230 B8R0.6 C#CCNCC(=O)NC 2230a_100000693194_100000038162 [0,1,0,0,0,0|2,0,1]=4 1231 B8R0.6 C#CCNCC(=O)NC 34a_100000212058_100000183359 [0,1,0,0,0,0|2,0,1]=4 1232 B8R0.6 C#CCNCC(=O)OC 34a_100000212058_100000747449 [0,1,0,0,0,0|1,0,1]=3 1233 B8R0.6 C#CCOCC(=O)CC 1458a_100011251226_100000210202 [0,1,0,0,0,0|2,0,1]=4 1234 B8R0.6 C#CCOCC(=O)CC 34a_100000725409_100000184674 [0,1,0,0,0,0|2,0,1]=4 1235 B8R0.6 C#CCOCC(=O)NC 11a_106832991635_100011251226 [0,1,0,0,0,0|2,0,1]=4 1236 B8R0.6 C#CCOCC(=O)NC 1626a_100102657272_100011251226 [0,1,0,0,0,0|2,0,1]=4 1237 B8R0.6 C#CCOCC(=O)NC 34a_100000210247_100000183359 [0,1,0,0,0,0|2,0,1]=4 1238 B8R0.6 C#CCOCC(=O)NC 34a_100000750040_100000184674 [0,1,0,0,0,0|2,0,1]=4 1239 B8R0.6 C#CCOCC(=O)NC 527a_100102657272_100011251226 [0,1,0,0,0,0|2,0,1]=4 1240 B8R0.6 C#CCOCC(=O)OC 34a_100000210247_100000747449 [0,1,0,0,0,0|1,0,1]=3 1241 B8R0.6 C#CCSCC(=O)CC 62a_100000038162_100000747405 [0,1,0,0,0,0|2,0,1]=4 1242 B8R0.6 C#CCSCC(=O)NC 62a_100000038162_100000183359 [0,1,0,0,0,0|2,0,1]=4 1243 B8R0.6 C#CCSCC(=O)OC 62a_100000038162_100000747449 [0,1,0,0,0,0|1,0,1]=3 1244 B8R0.6 C=C(C#N)CSCSC 62a_100011218213_100000694840 [0,1,0,0,0,0|3,0,0]=4 1245 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [0,1,0,0,0,0|2,0,1]=4 1246 B8R0.6 C=CC(=O)CCCCF 1458a_100000185746_100000729493 [0,1,0,0,0,0|2,0,1]=4 1247 B8R0.6 C=CC(=O)CCCCO 1458a_100000185746_100000210776 [0,1,0,0,0,0|2,0,1]=4 1248 B8R0.6 C=CC(=O)CCCOC 1458a_100000185746_100000740836 [0,1,0,0,0,0|1,1,1]=4 1249 B8R0.6 C=CC(=O)CCOCC 1458a_100000185746_100011215890 [0,1,0,0,0,0|1,1,1]=4 1250 B8R0.6 C=CC(=O)CCSCC 1458a_100000185746_100000757381 [0,1,0,0,0,0|1,0,1]=3 1251 B8R0.6 C=CC(=O)NCCCC 1626a_100000102301_100000185746 [0,1,0,0,0,0|2,0,1]=4 1252 B8R0.6 C=CC(=O)NCCCC 240690a_100000102301_200121576911 [0,1,0,0,0,0|2,0,1]=4 1253 B8R0.6 C=CC(=O)NCCNC 2230a_114873766552_200000210301 [0,1,0,0,0,0|2,0,1]=4 1254 B8R0.6 C=CC(=O)NCCN[13CH3] 2230a_114873766552_200025704644 [0,1,0,0,0,0|2,0,1]=4 1255 B8R0.6 C=CC(=O)NCCOC 1626a_100000209980_100000185746 [0,1,0,0,0,0|1,1,1]=4 1256 B8R0.6 C=CC(=O)NCCOC 240690a_100000209980_200121576911 [0,1,0,0,0,0|1,1,1]=4 1257 B8R0.6 C=CC(=O)NCCOC 34a_100011304386_200000210301 [0,1,0,0,0,0|1,1,1]=4 1258 B8R0.6 C=CC(=O)NCCO[13CH3] 34a_100011304386_200025704644 [0,1,0,0,0,0|1,1,1]=4 1259 B8R0.6 C=CC(=O)NCCSC 1626a_100020590264_100000185746 [0,1,0,0,0,0|1,0,1]=3 1260 B8R0.6 C=CC(=O)NCCSC 240690a_100020590264_200121576911 [0,1,0,0,0,0|1,0,1]=3 1261 B8R0.6 C=CC(=O)OCCNC 2230a_106832991635_100009813456 [0,1,0,0,0,0|2,0,1]=4 1262 B8R0.6 C=CC(=O)OCCNC 34a_100102657272_100009813456 [0,1,0,0,0,0|2,0,1]=4 1263 B8R0.6 C=CC(=O)OCCNC 7a_106832991635_100009813456 [0,1,0,0,0,0|2,0,1]=4 1264 B8R0.6 C=CC(=O)OCCOC 34a_100138415774_100009813456 [0,1,0,0,0,0|1,1,1]=4 1265 B8R0.6 C=CC(=O)OCCSC 62a_100009813456_200000210301 [0,1,0,0,0,0|1,0,1]=3 1266 B8R0.6 C=CC(=O)OCCSC 62a_200000210301_100009813456 [0,1,0,0,0,0|1,0,1]=3 1267 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_100009813456_200025704644 [0,1,0,0,0,0|1,0,1]=3 1268 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_200025704644_100009813456 [0,1,0,0,0,0|1,0,1]=3 1269 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [0,1,0,0,0,0|2,0,1]=4 1270 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [0,1,0,0,0,0|2,0,1]=4 1271 B8R0.6 C=CCCCC(=O)NC 11a_106832991635_100000766728 [0,1,0,0,0,0|2,0,1]=4 1272 B8R0.6 C=CCCCC(=O)NC 1626a_100102657272_100000766728 [0,1,0,0,0,0|2,0,1]=4 1273 B8R0.6 C=CCCCC(=O)NC 240690a_100102657272_100000766728 [0,1,0,0,0,0|2,0,1]=4 1274 B8R0.6 C=CCCCC(=O)NC 527a_100102657272_100000766728 [0,1,0,0,0,0|2,0,1]=4 1275 B8R0.6 C=CCCNC(=O)CC 11a_100015191253_100000210414 [0,1,0,0,0,0|2,0,1]=4 1276 B8R0.6 C=CCCNC(=O)CC 1626a_100015191253_100000210414 [0,1,0,0,0,0|2,0,1]=4 1277 B8R0.6 C=CCCNC(=O)CC 240690a_100015191253_100000210414 [0,1,0,0,0,0|2,0,1]=4 1278 B8R0.6 C=CCCNC(=O)CC 527a_100015191253_100000210414 [0,1,0,0,0,0|2,0,1]=4 1279 B8R0.6 C=CCCNC(=O)NC 2708a_100015191253_106832991635 [0,1,0,0,0,0|2,0,1]=4 1280 B8R0.6 C=CCCNC(=O)NC 2708a_100102657272_100015191253 [0,1,0,0,0,0|2,0,1]=4 1281 B8R0.6 C=CCCNC(=O)NC 273464a_100015191253_100102657272 [0,1,0,0,0,0|2,0,1]=4 1282 B8R0.6 C=CCCNC(=O)NC 273464a_100102657272_100015191253 [0,1,0,0,0,0|2,0,1]=4 1283 B8R0.6 C=CCCNC(=O)NC 512a_100015191253_100102657272 [0,1,0,0,0,0|2,0,1]=4 1284 B8R0.6 C=CCCNC(=O)NC 512a_106832991638_100015191253 [0,1,0,0,0,0|2,0,1]=4 1285 B8R0.6 C=CCNCC(=O)NC 2230a_100000693194_100000210623 [0,1,0,0,0,0|2,0,1]=4 1286 B8R0.6 C=CCNCC(=O)NC 2230a_100020586998_100000183359 [0,1,0,0,0,0|2,0,1]=4 1287 B8R0.6 C=CCNCC(=O)OC 2230a_100020586998_100000747449 [0,1,0,0,0,0|1,0,1]=3 1288 B8R0.6 C=CCOCC(=O)CC 34a_100000725409_100015514636 [0,1,0,0,0,0|2,0,1]=4 1289 B8R0.6 C=CCOCC(=O)NC 34a_100000750040_100015514636 [0,1,0,0,0,0|2,0,1]=4 1290 B8R0.6 C=CCOCC(=O)NC 34a_200000210373_100000183359 [0,1,0,0,0,0|2,0,1]=4 1291 B8R0.6 C=CCOCC(=O)OC 34a_200000210373_100000747449 [0,1,0,0,0,0|1,0,1]=3 1292 B8R0.6 C=CCSCC(=O)CC 1458a_100000230395_100000210202 [0,1,0,0,0,0|2,0,1]=4 1293 B8R0.6 C=CCSCC(=O)CC 62a_100000210623_100000747405 [0,1,0,0,0,0|2,0,1]=4 1294 B8R0.6 C=CCSCC(=O)CC 62a_100000747405_100000210623 [0,1,0,0,0,0|2,0,1]=4 1295 B8R0.6 C=CCSCC(=O)NC 11a_106832991635_100000230395 [0,1,0,0,0,0|2,0,1]=4 1296 B8R0.6 C=CCSCC(=O)NC 1626a_100102657272_100000230395 [0,1,0,0,0,0|2,0,1]=4 1297 B8R0.6 C=CCSCC(=O)NC 240690a_100102657272_100000230395 [0,1,0,0,0,0|2,0,1]=4 1298 B8R0.6 C=CCSCC(=O)NC 527a_100102657272_100000230395 [0,1,0,0,0,0|2,0,1]=4 1299 B8R0.6 C=CCSCC(=O)NC 62a_100000183359_100000210623 [0,1,0,0,0,0|2,0,1]=4 1300 B8R0.6 C=CCSCC(=O)NC 62a_100000210623_100000183359 [0,1,0,0,0,0|2,0,1]=4 1301 B8R0.6 C=CCSCC(=O)OC 62a_100000210623_100000747449 [0,1,0,0,0,0|1,0,1]=3 1302 B8R0.6 C=CCSCC(=O)OC 62a_100000747449_100000210623 [0,1,0,0,0,0|1,0,1]=3 1303 B8R0.6 C=COCCC(=O)CC 1458a_100000210414_100000039644 [0,1,0,0,0,0|1,1,1]=4 1304 B8R0.6 CC#CCNC(=O)CC 11a_100000685387_100000210414 [0,1,0,0,0,0|2,0,1]=4 1305 B8R0.6 CC#CCNC(=O)CC 1626a_100000685387_100000210414 [0,1,0,0,0,0|2,0,1]=4 1306 B8R0.6 CC#CCNC(=O)CC 527a_100000685387_100000210414 [0,1,0,0,0,0|2,0,1]=4 1307 B8R0.6 CC#CCNC(=O)NC 2708a_100102657272_100000685387 [0,1,0,0,0,0|2,0,1]=4 1308 B8R0.6 CC#CCNC(=O)NC 273464a_100000685387_100102657272 [0,1,0,0,0,0|2,0,1]=4 1309 B8R0.6 CC#CCNC(=O)NC 273464a_100102657272_100000685387 [0,1,0,0,0,0|2,0,1]=4 1310 B8R0.6 CC#CCNC(=O)NC 512a_100000685387_100102657272 [0,1,0,0,0,0|2,0,1]=4 1311 B8R0.6 CC#CCNC(=O)NC 512a_106832991638_100000685387 [0,1,0,0,0,0|2,0,1]=4 1312 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [0,1,0,0,0,0|2,0,1]=4 1313 B8R0.6 CC/C=C/CC(=O)NC 11a_106832991635_100016274230 [0,1,0,0,0,0|2,0,1]=4 1314 B8R0.6 CC/C=C/CC(=O)NC 1626a_100102657272_100016274230 [0,1,0,0,0,0|2,0,1]=4 1315 B8R0.6 CC/C=C/CC(=O)NC 240690a_100102657272_100016274230 [0,1,0,0,0,0|2,0,1]=4 1316 B8R0.6 CC/C=C/CC(=O)NC 527a_100102657272_100016274230 [0,1,0,0,0,0|2,0,1]=4 1317 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [0,1,0,0,0,0|2,0,1]=4 1318 B8R0.6 CCC#CCC(=O)CC 1458a_100000210414_100009813939 [0,1,0,0,0,0|2,0,1]=4 1319 B8R0.6 CCC(=O)C=CCOC 1458a_100016285016_100000210202 [0,1,0,0,0,0|1,1,1]=4 1320 B8R0.6 CCC(=O)CC#CCO 1458a_100000210414_200000047223 [0,1,0,0,0,0|2,0,1]=4 1321 B8R0.6 CCC(=O)CCCC#N 1458a_100000075515_100000210202 [0,1,0,0,0,0|2,0,1]=4 1322 B8R0.6 CCC(=O)CCCC#N 1458a_100000210414_100000211468 [0,1,0,0,0,0|2,0,1]=4 1323 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [0,1,0,0,0,0|2,0,0]=3 1324 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [0,1,0,0,0,0|2,0,0]=3 1325 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [0,1,0,0,0,0|2,0,0]=3 1326 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [0,1,0,0,0,0|1,1,0]=3 1327 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [0,1,0,0,0,0|1,1,0]=3 1328 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [0,1,0,0,0,0|1,0,0]=2 1329 B8R0.6 CCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210202 [0,1,0,0,0,0|3,0,0]=4 1330 B8R0.6 CCC(=O)COCC=O 34a_100000725409_200009817547 [0,1,0,0,0,0|3,0,0]=4 1331 B8R0.6 CCC(=O)COCCF 34a_100000725409_100011217306 [0,1,0,0,0,0|3,0,0]=4 1332 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [0,1,0,0,0,0|3,0,0]=4 1333 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [0,1,0,0,0,0|3,0,0]=4 1334 B8R0.6 CCC(=O)COCSC 34a_100000725409_100011218213 [0,1,0,0,0,0|1,0,0]=2 1335 B8R0.6 CCC(=O)CSCC#N 1458a_100000150266_100000210202 [0,1,0,0,0,0|3,0,0]=4 1336 B8R0.6 CCC(=O)CSCC#N 62a_100000747405_100011215382 [0,1,0,0,0,0|3,0,0]=4 1337 B8R0.6 CCC(=O)CSCC#N 62a_100011215382_100000747405 [0,1,0,0,0,0|3,0,0]=4 1338 B8R0.6 CCC(=O)CSCC=O 62a_100000747405_200015260668 [0,1,0,0,0,0|3,0,0]=4 1339 B8R0.6 CCC(=O)CSCC=O 62a_200015260668_100000747405 [0,1,0,0,0,0|3,0,0]=4 1340 B8R0.6 CCC(=O)CSCCF 62a_100000747405_100011217306 [0,1,0,0,0,0|3,0,0]=4 1341 B8R0.6 CCC(=O)CSCCF 62a_100011217306_100000747405 [0,1,0,0,0,0|3,0,0]=4 1342 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [0,1,0,0,0,0|3,0,0]=4 1343 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [0,1,0,0,0,0|3,0,0]=4 1344 B8R0.6 CCC(=O)CSCOC 62a_100000747405_100000766300 [0,1,0,0,0,0|1,1,0]=3 1345 B8R0.6 CCC(=O)CSCOC 62a_100000766300_100000747405 [0,1,0,0,0,0|1,1,0]=3 1346 B8R0.6 CCC(=O)CSCSC 62a_100000747405_100011218213 [0,1,0,0,0,0|1,0,0]=2 1347 B8R0.6 CCC(=O)CSCSC 62a_100011218213_100000747405 [0,1,0,0,0,0|1,0,0]=2 1348 B8R0.6 CCC(=O)NCCC#N 11a_100000720768_100000210414 [0,1,0,0,0,0|3,0,0]=4 1349 B8R0.6 CCC(=O)NCCC#N 1626a_100000720768_100000210414 [0,1,0,0,0,0|3,0,0]=4 1350 B8R0.6 CCC(=O)NCCC#N 240690a_100000720768_100000210414 [0,1,0,0,0,0|3,0,0]=4 1351 B8R0.6 CCC(=O)NCCC#N 527a_100000720768_100000210414 [0,1,0,0,0,0|3,0,0]=4 1352 B8R0.6 CCC(=O)NCCCF 11a_100015189416_100000210414 [0,1,0,0,0,0|3,0,0]=4 1353 B8R0.6 CCC(=O)NCCCF 1626a_100015189416_100000210414 [0,1,0,0,0,0|3,0,0]=4 1354 B8R0.6 CCC(=O)NCCCF 240690a_100015189416_100000210414 [0,1,0,0,0,0|3,0,0]=4 1355 B8R0.6 CCC(=O)NCCCF 527a_100015189416_100000210414 [0,1,0,0,0,0|3,0,0]=4 1356 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [0,1,0,0,0,0|3,0,0]=4 1357 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [0,1,0,0,0,0|3,0,0]=4 1358 B8R0.6 CCC(=O)NCCNC 34a_100132302217_200000210301 [0,1,0,0,0,0|2,0,0]=3 1359 B8R0.6 CCC(=O)NCCN[13CH3] 34a_100132302217_200025704644 [0,1,0,0,0,0|2,0,0]=3 1360 B8R0.6 CCC(=O)NCCOC 1626a_100000209980_100000210414 [0,1,0,0,0,0|1,1,0]=3 1361 B8R0.6 CCC(=O)NCCOC 240690a_100000209980_100000210414 [0,1,0,0,0,0|1,1,0]=3 1362 B8R0.6 CCC(=O)NCCOC 34a_200000158885_200000210301 [0,1,0,0,0,0|1,1,0]=3 1363 B8R0.6 CCC(=O)NCCOC 527a_100000209980_100000210414 [0,1,0,0,0,0|1,1,0]=3 1364 B8R0.6 CCC(=O)NCCOC 7a_200000158885_200000210301 [0,1,0,0,0,0|1,1,0]=3 1365 B8R0.6 CCC(=O)NCCO[13CH3] 34a_200000158885_200025704644 [0,1,0,0,0,0|1,1,0]=3 1366 B8R0.6 CCC(=O)NCCO[13CH3] 7a_200000158885_200025704644 [0,1,0,0,0,0|1,1,0]=3 1367 B8R0.6 CCC(=O)NCCSC 11a_100020590264_100000210414 [0,1,0,0,0,0|1,0,0]=2 1368 B8R0.6 CCC(=O)NCCSC 1626a_100020590264_100000210414 [0,1,0,0,0,0|1,0,0]=2 1369 B8R0.6 CCC(=O)NCCSC 240690a_100020590264_100000210414 [0,1,0,0,0,0|1,0,0]=2 1370 B8R0.6 CCC(=O)NCCSC 527a_100020590264_100000210414 [0,1,0,0,0,0|1,0,0]=2 1371 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [0,1,0,0,0,0|1,1,0]=3 1372 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [0,1,0,0,0,0|1,1,0]=3 1373 B8R0.6 CCC(C)CNCSC 2230a_100020588543_100011218213 [0,1,0,0,0,0|2,0,1]=4 1374 B8R0.6 CCC(C)CSCSC 62a_100000748023_100011218213 [0,1,0,0,0,0|2,0,1]=4 1375 B8R0.6 CCC(C)CSCSC 62a_100011218213_100000748023 [0,1,0,0,0,0|2,0,1]=4 1376 B8R0.6 CCC(C)NCCSC 2230a_100000209981_100000751147 [0,1,0,0,0,0|2,0,1]=4 1377 B8R0.6 CCC(C)NCCSC 2230a_100020590264_100000758301 [0,1,0,0,0,0|2,0,1]=4 1378 B8R0.6 CCC(C)OCCSC 34a_100000230434_100011215416 [0,1,0,0,0,0|2,0,1]=4 1379 B8R0.6 CCC(C)OCCSC 7a_100000210228_100000212216 [0,1,0,0,0,0|2,0,1]=4 1380 B8R0.6 CCC(C)OCCSC 7a_100000230434_100000758301 [0,1,0,0,0,0|2,0,1]=4 1381 B8R0.6 CCC(C)SCCSC 62a_100000212216_100000758301 [0,1,0,0,0,0|2,0,1]=4 1382 B8R0.6 CCC(C)SCCSC 62a_100000758301_100000751147 [0,1,0,0,0,0|2,0,1]=4 1383 B8R0.6 CCC(O)CNCSC 2230a_100011218483_100011218213 [0,1,0,0,0,0|1,0,2]=4 1384 B8R0.6 CCC(O)CSCSC 62a_100011218213_100011218378 [0,1,0,0,0,0|1,0,2]=4 1385 B8R0.6 CCC(O)CSCSC 62a_100011218378_100011218213 [0,1,0,0,0,0|1,0,2]=4 1386 B8R0.6 CCCC#CC(=O)CC 1458a_200011218047_100000210202 [0,1,0,0,0,0|2,0,1]=4 1387 B8R0.6 CCCC#CC(=O)NC 240690a_100102657272_200011218047 [0,1,0,0,0,0|2,0,1]=4 1388 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [0,1,0,0,0,0|2,0,1]=4 1389 B8R0.6 CCCC=CC(=O)NC 11a_106832991635_100000212230 [0,1,0,0,0,0|2,0,1]=4 1390 B8R0.6 CCCC=CC(=O)NC 1626a_100102657272_100000212230 [0,1,0,0,0,0|2,0,1]=4 1391 B8R0.6 CCCC=CC(=O)NC 240690a_100102657272_100000212230 [0,1,0,0,0,0|2,0,1]=4 1392 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [0,1,0,0,0,0|2,0,0]=3 1393 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [0,1,0,0,0,0|2,0,0]=3 1394 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [0,1,0,0,0,0|3,0,0]=4 1395 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [0,1,0,0,0,0|3,0,0]=4 1396 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [0,1,0,0,0,0|2,0,0]=3 1397 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [0,1,0,0,0,0|2,0,0]=3 1398 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [0,1,0,0,0,0|2,0,0]=3 1399 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [0,1,0,0,0,0|2,0,0]=3 1400 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [0,1,0,0,0,0|2,0,1]=4 1401 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [0,1,0,0,0,0|2,0,1]=4 1402 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [0,1,0,0,0,0|2,0,1]=4 1403 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [0,1,0,0,0,0|2,0,1]=4 1404 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [0,1,0,0,0,0|2,0,1]=4 1405 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [0,1,0,0,0,0|2,0,0]=3 1406 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [0,1,0,0,0,0|2,0,0]=3 1407 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [0,1,0,0,0,0|2,0,0]=3 1408 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [0,1,0,0,0,0|2,0,0]=3 1409 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [0,1,0,0,0,0|3,0,0]=4 1410 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [0,1,0,0,0,0|3,0,0]=4 1411 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [0,1,0,0,0,0|2,0,0]=3 1412 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [0,1,0,0,0,0|2,0,0]=3 1413 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [0,1,0,0,0,0|2,0,0]=3 1414 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [0,1,0,0,0,0|2,0,0]=3 1415 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [0,1,0,0,0,0|2,0,0]=3 1416 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [0,1,0,0,0,0|2,0,0]=3 1417 B8R0.6 CCCCSC(C)OC 62a_100000210211_100009879195 [0,1,0,0,0,0|2,0,1]=4 1418 B8R0.6 CCCCSC(C)OC 62a_100009879195_100000210210 [0,1,0,0,0,0|2,0,1]=4 1419 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [0,1,0,0,0,0|2,0,0]=3 1420 B8R0.6 CCCNC[C@@H](C)OC 2230a_100020591295_100000210303 [0,1,0,0,0,0|2,0,1]=4 1421 B8R0.6 CCCNNC(=O)CC 22a_100000740057_100000210414 [0,1,0,0,0,0|3,0,0]=4 1422 B8R0.6 CCCNNC(=O)NC 273464a_100102657272_100000740057 [0,1,0,0,0,0|3,0,0]=4 1423 B8R0.6 CCCNNC(=O)NC 512a_100000740057_100102657272 [0,1,0,0,0,0|3,0,0]=4 1424 B8R0.6 CCCNNC(=O)NC 512a_106832991638_100000740057 [0,1,0,0,0,0|3,0,0]=4 1425 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [0,1,0,0,0,0|2,0,0]=3 1426 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [0,1,0,0,0,0|2,0,0]=3 1427 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [0,1,0,0,0,0|3,0,0]=4 1428 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [0,1,0,0,0,0|2,0,0]=3 1429 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [0,1,0,0,0,0|2,0,0]=3 1430 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [0,1,0,0,0,0|2,0,0]=3 1431 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [0,1,0,0,0,0|2,0,0]=3 1432 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [0,1,0,0,0,0|2,0,0]=3 1433 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [0,1,0,0,0,0|2,0,0]=3 1434 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [0,1,0,0,0,0|1,0,0]=2 1435 B8R0.6 CCCOCC(C)OC 34a_100000690652_100000210303 [0,1,0,0,0,0|2,0,1]=4 1436 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [0,1,0,0,0,0|2,0,0]=3 1437 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [0,1,0,0,0,0|2,0,0]=3 1438 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [0,1,0,0,0,0|2,0,0]=3 1439 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [0,1,0,0,0,0|3,0,0]=4 1440 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [0,1,0,0,0,0|2,0,0]=3 1441 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [0,1,0,0,0,0|2,0,0]=3 1442 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [0,1,0,0,0,0|2,0,0]=3 1443 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [0,1,0,0,0,0|2,0,0]=3 1444 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [0,1,0,0,0,0|2,0,0]=3 1445 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [0,1,0,0,0,0|2,0,0]=3 1446 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [0,1,0,0,0,0|1,0,0]=2 1447 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [0,1,0,0,0,0|1,0,0]=2 1448 B8R0.6 CCN(C)CCCSC 62a_200000210301_100015186262 [0,1,0,0,0,0|3,0,0]=4 1449 B8R0.6 CCN(C)CCCS[13CH3] 62a_200025704644_100015186262 [0,1,0,0,0,0|3,0,0]=4 1450 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [0,1,0,0,0,0|2,0,0]=3 1451 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [0,1,0,0,0,0|2,0,0]=3 1452 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [0,1,0,0,0,0|2,0,0]=3 1453 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [0,1,0,0,0,0|1,0,0]=2 1454 B8R0.6 CCNN=CC(=O)OC 4a_100000756455_200011823558 [0,1,0,0,0,0|2,0,1]=4 1455 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [0,1,0,0,0,0|1,1,0]=3 1456 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [0,1,0,0,0,0|1,1,0]=3 1457 B8R0.6 CCOCCC(=O)CF 1458a_100000749530_100015361967 [0,1,0,0,0,0|2,1,0]=4 1458 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [0,1,0,0,0,0|2,1,0]=4 1459 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [0,1,0,0,0,0|1,1,0]=3 1460 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [0,1,0,0,0,0|1,1,0]=3 1461 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [0,1,0,0,0,0|1,1,0]=3 1462 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [0,1,0,0,0,0|1,1,0]=3 1463 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [0,1,0,0,0,0|1,1,0]=3 1464 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [0,1,0,0,0,0|1,1,0]=3 1465 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [0,1,0,0,0,0|0,1,0]=2 1466 B8R0.6 CCOCCC(C)OC 7a_100000764861_100000210202 [0,1,0,0,0,0|1,1,1]=4 1467 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [0,1,0,0,0,0|1,0,0]=2 1468 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [0,1,0,0,0,0|1,0,0]=2 1469 B8R0.6 CCSCCC(=O)CF 1458a_100000230768_100015361967 [0,1,0,0,0,0|2,0,0]=3 1470 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [0,1,0,0,0,0|2,0,0]=3 1471 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [0,1,0,0,0,0|1,0,0]=2 1472 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [0,1,0,0,0,0|1,0,0]=2 1473 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [0,1,0,0,0,0|1,0,0]=2 1474 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [0,1,0,0,0,0|1,0,0]=2 1475 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [0,1,0,0,0,0|1,0,0]=2 1476 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [0,1,0,0,0,0|1,0,0]=2 1477 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [0,1,0,0,0,0|0,0,0]=1 1478 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [0,1,0,0,0,0|0,0,0]=1 1479 B8R0.6 CCSCCN(C)CC 2230a_100000225621_100000757381 [0,1,0,0,0,0|3,0,0]=4 1480 B8R0.6 CCSCCN(C)CC 269982a_100000225621_100000757381 [0,1,0,0,0,0|3,0,0]=4 1481 B8R0.6 CCSCOC(=O)OC 62a_100000210202_100000139417 [0,1,0,0,0,0|1,0,0]=2 1482 B8R0.6 CC[C@H](C)CSCSC 62a_100009816398_100011218213 [0,1,0,0,0,0|2,0,1]=4 1483 B8R0.6 CC[C@H](C)CSCSC 62a_100011218213_100009816398 [0,1,0,0,0,0|2,0,1]=4 1484 B8R0.6 CNC(=O)C=CCOC 11a_106832991635_100016285016 [0,1,0,0,0,0|1,1,1]=4 1485 B8R0.6 CNC(=O)C=CCOC 1626a_100102657272_100016285016 [0,1,0,0,0,0|1,1,1]=4 1486 B8R0.6 CNC(=O)C=CCOC 240690a_100102657272_100016285016 [0,1,0,0,0,0|1,1,1]=4 1487 B8R0.6 CNC(=O)CCCC#N 11a_106832991635_100000075515 [0,1,0,0,0,0|2,0,1]=4 1488 B8R0.6 CNC(=O)CCCC#N 1626a_100102657272_100000075515 [0,1,0,0,0,0|2,0,1]=4 1489 B8R0.6 CNC(=O)CCCC#N 240690a_100102657272_100000075515 [0,1,0,0,0,0|2,0,1]=4 1490 B8R0.6 CNC(=O)CCCC#N 527a_100102657272_100000075515 [0,1,0,0,0,0|2,0,1]=4 1491 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [0,1,0,0,0,0|2,0,0]=3 1492 B8R0.6 CNC(=O)CCCN[13CH3] 2230a_100000740002_200025704644 [0,1,0,0,0,0|2,0,0]=3 1493 B8R0.6 CNC(=O)CCCN[13CH3] 34a_100000740002_200025704644 [0,1,0,0,0,0|2,0,0]=3 1494 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [0,1,0,0,0,0|1,1,0]=3 1495 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [0,1,0,0,0,0|1,1,0]=3 1496 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [0,1,0,0,0,0|1,1,0]=3 1497 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [0,1,0,0,0,0|1,1,0]=3 1498 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [0,1,0,0,0,0|1,1,0]=3 1499 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [0,1,0,0,0,0|1,0,0]=2 1500 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [0,1,0,0,0,0|1,0,0]=2 1501 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [0,1,0,0,0,0|1,0,0]=2 1502 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [0,1,0,0,0,0|1,0,0]=2 1503 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [0,1,0,0,0,0|1,0,0]=2 1504 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [0,1,0,0,0,0|1,0,0]=2 1505 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [0,1,0,0,0,0|1,0,0]=2 1506 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [0,1,0,0,0,0|1,0,0]=2 1507 B8R0.6 CNC(=O)CCN=[N+]=[N-] 11a_106832991635_100000688302 [0,1,0,0,0,0|3,0,0]=4 1508 B8R0.6 CNC(=O)CCN=[N+]=[N-] 240690a_100102657272_100000688302 [0,1,0,0,0,0|3,0,0]=4 1509 B8R0.6 CNC(=O)CCNCF 34a_100000738227_100015361967 [0,1,0,0,0,0|2,0,0]=3 1510 B8R0.6 CNC(=O)CCOCF 34a_100000754576_100015361967 [0,1,0,0,0,0|1,1,0]=3 1511 B8R0.6 CNC(=O)CCSCF 62a_100000737683_100015361967 [0,1,0,0,0,0|1,0,0]=2 1512 B8R0.6 CNC(=O)CCSCF 62a_100015361967_100000737683 [0,1,0,0,0,0|1,0,0]=2 1513 B8R0.6 CNC(=O)CNCC#N 2230a_100000693194_100011215382 [0,1,0,0,0,0|3,0,0]=4 1514 B8R0.6 CNC(=O)CNCC=O 2230a_100000693194_200015260668 [0,1,0,0,0,0|3,0,0]=4 1515 B8R0.6 CNC(=O)CNCCF 2230a_100000693194_100011217306 [0,1,0,0,0,0|3,0,0]=4 1516 B8R0.6 CNC(=O)CNCCF 34a_100000724931_100000183359 [0,1,0,0,0,0|3,0,0]=4 1517 B8R0.6 CNC(=O)CNCCO 2230a_100000693194_100000211926 [0,1,0,0,0,0|3,0,0]=4 1518 B8R0.6 CNC(=O)CNCCO 2230a_100016997473_100000183359 [0,1,0,0,0,0|3,0,0]=4 1519 B8R0.6 CNC(=O)CNCCO 34a_100016990907_100000183359 [0,1,0,0,0,0|3,0,0]=4 1520 B8R0.6 CNC(=O)CNCOC 2230a_100000693194_100000766300 [0,1,0,0,0,0|1,1,0]=3 1521 B8R0.6 CNC(=O)CNCSC 2230a_100000693194_100011218213 [0,1,0,0,0,0|1,0,0]=2 1522 B8R0.6 CNC(=O)COCC=O 34a_100000750040_200009817547 [0,1,0,0,0,0|3,0,0]=4 1523 B8R0.6 CNC(=O)COCCBr 34a_100000211926_100000183359 [0,1,0,0,0,0|3,0,0]=4 1524 B8R0.6 CNC(=O)COCCF 34a_100000750040_100011217306 [0,1,0,0,0,0|3,0,0]=4 1525 B8R0.6 CNC(=O)COCCN 34a_100000210304_100000183359 [0,1,0,0,0,0|3,0,0]=4 1526 B8R0.6 CNC(=O)COCCO 1626a_100102657272_100000708028 [0,1,0,0,0,0|3,0,0]=4 1527 B8R0.6 CNC(=O)COCCO 240690a_100102657272_100000708028 [0,1,0,0,0,0|3,0,0]=4 1528 B8R0.6 CNC(=O)COCCO 34a_100000750040_100000211926 [0,1,0,0,0,0|3,0,0]=4 1529 B8R0.6 CNC(=O)COCSC 34a_100000750040_100011218213 [0,1,0,0,0,0|1,0,0]=2 1530 B8R0.6 CNC(=O)CSCC#N 11a_106832991635_100000150266 [0,1,0,0,0,0|3,0,0]=4 1531 B8R0.6 CNC(=O)CSCC#N 1626a_100102657272_100000150266 [0,1,0,0,0,0|3,0,0]=4 1532 B8R0.6 CNC(=O)CSCC#N 240690a_100102657272_100000150266 [0,1,0,0,0,0|3,0,0]=4 1533 B8R0.6 CNC(=O)CSCC#N 62a_100000183359_100011215382 [0,1,0,0,0,0|3,0,0]=4 1534 B8R0.6 CNC(=O)CSCC#N 62a_100011215382_100000183359 [0,1,0,0,0,0|3,0,0]=4 1535 B8R0.6 CNC(=O)CSCC=O 62a_100000183359_200015260668 [0,1,0,0,0,0|3,0,0]=4 1536 B8R0.6 CNC(=O)CSCC=O 62a_200015260668_100000183359 [0,1,0,0,0,0|3,0,0]=4 1537 B8R0.6 CNC(=O)CSCCF 62a_100000183359_100011217306 [0,1,0,0,0,0|3,0,0]=4 1538 B8R0.6 CNC(=O)CSCCF 62a_100011217306_100000183359 [0,1,0,0,0,0|3,0,0]=4 1539 B8R0.6 CNC(=O)CSCCO 62a_100000183359_100000211926 [0,1,0,0,0,0|3,0,0]=4 1540 B8R0.6 CNC(=O)CSCCO 62a_100000211926_100000183359 [0,1,0,0,0,0|3,0,0]=4 1541 B8R0.6 CNC(=O)CSCOC 62a_100000183359_100000766300 [0,1,0,0,0,0|1,1,0]=3 1542 B8R0.6 CNC(=O)CSCOC 62a_100000766300_100000183359 [0,1,0,0,0,0|1,1,0]=3 1543 B8R0.6 CNC(=O)CSCSC 62a_100000183359_100011218213 [0,1,0,0,0,0|1,0,0]=2 1544 B8R0.6 CNC(=O)CSCSC 62a_100011218213_100000183359 [0,1,0,0,0,0|1,0,0]=2 1545 B8R0.6 CNC(=O)NCCC#N 2708a_100000720768_106832991635 [0,1,0,0,0,0|3,0,0]=4 1546 B8R0.6 CNC(=O)NCCC#N 2708a_100102657272_100000720768 [0,1,0,0,0,0|3,0,0]=4 1547 B8R0.6 CNC(=O)NCCC#N 273464a_100000720768_100102657272 [0,1,0,0,0,0|3,0,0]=4 1548 B8R0.6 CNC(=O)NCCC#N 273464a_100102657272_100000720768 [0,1,0,0,0,0|3,0,0]=4 1549 B8R0.6 CNC(=O)NCCC#N 512a_100000720768_100102657272 [0,1,0,0,0,0|3,0,0]=4 1550 B8R0.6 CNC(=O)NCCC#N 512a_106832991638_100000720768 [0,1,0,0,0,0|3,0,0]=4 1551 B8R0.6 CNC(=O)NCCCF 2708a_100015189416_106832991635 [0,1,0,0,0,0|3,0,0]=4 1552 B8R0.6 CNC(=O)NCCCF 2708a_100102657272_100015189416 [0,1,0,0,0,0|3,0,0]=4 1553 B8R0.6 CNC(=O)NCCCF 273464a_100015189416_100102657272 [0,1,0,0,0,0|3,0,0]=4 1554 B8R0.6 CNC(=O)NCCCF 273464a_100102657272_100015189416 [0,1,0,0,0,0|3,0,0]=4 1555 B8R0.6 CNC(=O)NCCCF 512a_100015189416_100102657272 [0,1,0,0,0,0|3,0,0]=4 1556 B8R0.6 CNC(=O)NCCCF 512a_106832991638_100015189416 [0,1,0,0,0,0|3,0,0]=4 1557 B8R0.6 CNC(=O)NCCCO 2708a_100102657272_100000182051 [0,1,0,0,0,0|3,0,0]=4 1558 B8R0.6 CNC(=O)NCCCO 273464a_100000182051_100102657272 [0,1,0,0,0,0|3,0,0]=4 1559 B8R0.6 CNC(=O)NCCCO 273464a_100102657272_100000182051 [0,1,0,0,0,0|3,0,0]=4 1560 B8R0.6 CNC(=O)NCCCO 512a_106832991638_100000182051 [0,1,0,0,0,0|3,0,0]=4 1561 B8R0.6 CNC(=O)NCCN[13CH3] 34a_100015205895_200025704644 [0,1,0,0,0,0|2,0,0]=3 1562 B8R0.6 CNC(=O)NCCOC 2708a_100102657272_100000209980 [0,1,0,0,0,0|1,1,0]=3 1563 B8R0.6 CNC(=O)NCCOC 273464a_100000209980_100102657272 [0,1,0,0,0,0|1,1,0]=3 1564 B8R0.6 CNC(=O)NCCOC 273464a_100102657272_100000209980 [0,1,0,0,0,0|1,1,0]=3 1565 B8R0.6 CNC(=O)NCCSC 2708a_100020590264_106832991635 [0,1,0,0,0,0|1,0,0]=2 1566 B8R0.6 CNC(=O)NCCSC 2708a_100102657272_100020590264 [0,1,0,0,0,0|1,0,0]=2 1567 B8R0.6 CNC(=O)NCCSC 273464a_100020590264_100102657272 [0,1,0,0,0,0|1,0,0]=2 1568 B8R0.6 CNC(=O)NCCSC 273464a_100102657272_100020590264 [0,1,0,0,0,0|1,0,0]=2 1569 B8R0.6 CNC(=O)NCCSC 512a_100020590264_100102657272 [0,1,0,0,0,0|1,0,0]=2 1570 B8R0.6 CNC(=O)NCCSC 512a_106832991638_100020590264 [0,1,0,0,0,0|1,0,0]=2 1571 B8R0.6 CNC(=O)OCCOC 34a_100138415774_200011997002 [0,1,0,0,0,0|1,1,0]=3 1572 B8R0.6 CNC(=O)OCCSC 62a_200000210301_200011997002 [0,1,0,0,0,0|1,0,0]=2 1573 B8R0.6 CNC(=O)OCCSC 62a_200011997002_200000210301 [0,1,0,0,0,0|1,0,0]=2 1574 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200011997002_200025704644 [0,1,0,0,0,0|1,0,0]=2 1575 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200025704644_200011997002 [0,1,0,0,0,0|1,0,0]=2 1576 B8R0.6 CNC(C)CCCSC 270004a_106832991635_100011399439 [0,1,0,0,0,0|2,0,1]=4 1577 B8R0.6 CNC/C=C/C(=O)OC 2230a_106832991635_100000742655 [0,1,0,0,0,0|1,0,1]=3 1578 B8R0.6 CNC/C=C/C(=O)OC 34a_100102657272_100000742655 [0,1,0,0,0,0|1,0,1]=3 1579 B8R0.6 CNC/C=C/C(=O)OC 7a_106832991635_100000742655 [0,1,0,0,0,0|1,0,1]=3 1580 B8R0.6 CNCCCC(=O)NC 2230a_100000740002_200000210301 [0,1,0,0,0,0|2,0,0]=3 1581 B8R0.6 CNCCCC(=O)NC 2230a_106832991635_100000741757 [0,1,0,0,0,0|2,0,0]=3 1582 B8R0.6 CNCCCC(=O)NC 34a_100000740002_200000210301 [0,1,0,0,0,0|2,0,0]=3 1583 B8R0.6 CNCCCC(=O)NC 34a_100102657272_100000741757 [0,1,0,0,0,0|2,0,0]=3 1584 B8R0.6 CNCCCC(=O)NC 7a_106832991635_100000741757 [0,1,0,0,0,0|2,0,0]=3 1585 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [0,1,0,0,0,0|1,0,0]=2 1586 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [0,1,0,0,0,0|1,0,0]=2 1587 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [0,1,0,0,0,0|1,0,0]=2 1588 B8R0.6 CNCCNC(=O)NC 34a_100015205895_200000210301 [0,1,0,0,0,0|2,0,0]=3 1589 B8R0.6 CNCCOC(=O)NC 34a_100102657272_200011997002 [0,1,0,0,0,0|2,0,0]=3 1590 B8R0.6 CNCCOC(=O)NC 7a_106832991635_200011997002 [0,1,0,0,0,0|2,0,0]=3 1591 B8R0.6 COC(=O)/C=C/CSC 62a_100000742655_200000210301 [0,1,0,0,0,0|0,0,1]=2 1592 B8R0.6 COC(=O)/C=C/CSC 62a_200000210301_100000742655 [0,1,0,0,0,0|0,0,1]=2 1593 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_100000742655_200025704644 [0,1,0,0,0,0|0,0,1]=2 1594 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_200025704644_100000742655 [0,1,0,0,0,0|0,0,1]=2 1595 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [0,1,0,0,0,0|0,0,0]=1 1596 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [0,1,0,0,0,0|0,0,0]=1 1597 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [0,1,0,0,0,0|0,0,0]=1 1598 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [0,1,0,0,0,0|0,0,0]=1 1599 B8R0.6 COC(=O)CCSCF 62a_100000204255_100015361967 [0,1,0,0,0,0|0,0,0]=1 1600 B8R0.6 COC(=O)CCSCF 62a_100015361967_100000204255 [0,1,0,0,0,0|0,0,0]=1 1601 B8R0.6 COC(=O)CNCCF 34a_100000724931_100000747449 [0,1,0,0,0,0|2,0,0]=3 1602 B8R0.6 COC(=O)CNCCO 2230a_100016997473_100000747449 [0,1,0,0,0,0|2,0,0]=3 1603 B8R0.6 COC(=O)CNCCO 34a_100016990907_100000747449 [0,1,0,0,0,0|2,0,0]=3 1604 B8R0.6 COC(=O)COCCBr 34a_100000211926_100000747449 [0,1,0,0,0,0|2,0,0]=3 1605 B8R0.6 COC(=O)COCCN 34a_100000210304_100000747449 [0,1,0,0,0,0|2,0,0]=3 1606 B8R0.6 COC(=O)CSCC#N 62a_100000747449_100011215382 [0,1,0,0,0,0|2,0,0]=3 1607 B8R0.6 COC(=O)CSCC#N 62a_100011215382_100000747449 [0,1,0,0,0,0|2,0,0]=3 1608 B8R0.6 COC(=O)CSCC=O 62a_100000747449_200015260668 [0,1,0,0,0,0|2,0,0]=3 1609 B8R0.6 COC(=O)CSCC=O 62a_200015260668_100000747449 [0,1,0,0,0,0|2,0,0]=3 1610 B8R0.6 COC(=O)CSCCF 62a_100000747449_100011217306 [0,1,0,0,0,0|2,0,0]=3 1611 B8R0.6 COC(=O)CSCCF 62a_100011217306_100000747449 [0,1,0,0,0,0|2,0,0]=3 1612 B8R0.6 COC(=O)CSCCO 62a_100000211926_100000747449 [0,1,0,0,0,0|2,0,0]=3 1613 B8R0.6 COC(=O)CSCCO 62a_100000747449_100000211926 [0,1,0,0,0,0|2,0,0]=3 1614 B8R0.6 COC(=O)CSCSC 62a_100000747449_100011218213 [0,1,0,0,0,0|0,0,0]=1 1615 B8R0.6 COC(=O)CSCSC 62a_100011218213_100000747449 [0,1,0,0,0,0|0,0,0]=1 1616 B8R0.6 COC(=O)NCCO[13CH3] 34a_100000757965_200025704644 [0,1,0,0,0,0|0,1,0]=2 1617 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [0,1,0,0,0,0|0,1,0]=2 1618 B8R0.6 COC(=O)OCSCF 62a_100015361967_100000139417 [0,1,0,0,0,0|1,0,0]=2 1619 B8R0.6 COC(C)CCOCF 7a_100000764861_100015361967 [0,1,0,0,0,0|1,1,1]=4 1620 B8R0.6 COC(C)COCSC 34a_100000690652_100011218213 [0,1,0,0,0,0|1,0,1]=3 1621 B8R0.6 COC(C)SCCSC 62a_100000212216_100009879195 [0,1,0,0,0,0|1,0,1]=3 1622 B8R0.6 COC(C)SCCSC 62a_100009879195_100000751147 [0,1,0,0,0,0|1,0,1]=3 1623 B8R0.6 COC/C=C/C(=O)OC 34a_100138415774_100000742655 [0,1,0,0,0,0|0,1,1]=3 1624 B8R0.6 COCCCC(=O)CF 1458a_100000741012_100015361967 [0,1,0,0,0,0|2,1,0]=4 1625 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [0,1,0,0,0,0|2,1,0]=4 1626 B8R0.6 COCCCC(=O)NN 34a_100000211488_200000210301 [0,1,0,0,0,0|2,1,0]=4 1627 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [0,1,0,0,0,0|0,1,0]=2 1628 B8R0.6 COCCCC(C)OC 34a_200011539412_200000210301 [0,1,0,0,0,0|1,1,1]=4 1629 B8R0.6 COCCCC(C)OC 7a_200011539412_200000210301 [0,1,0,0,0,0|1,1,1]=4 1630 B8R0.6 COCCCC(C)O[13CH3] 34a_200011539412_200025704644 [0,1,0,0,0,0|1,1,1]=4 1631 B8R0.6 COCCCC(C)O[13CH3] 7a_200011539412_200025704644 [0,1,0,0,0,0|1,1,1]=4 1632 B8R0.6 COCCNC(=O)CO 240690a_100000209980_100000210174 [0,1,0,0,0,0|2,1,0]=4 1633 B8R0.6 COCCNC(=O)CO 527a_100000209980_100000210174 [0,1,0,0,0,0|2,1,0]=4 1634 B8R0.6 COCCNC(=O)OC 34a_100000757965_200000210301 [0,1,0,0,0,0|0,1,0]=2 1635 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [0,1,0,0,0,0|0,1,0]=2 1636 B8R0.6 COCCSC(C)OC 62a_100000233755_100009879195 [0,1,0,0,0,0|1,1,1]=4 1637 B8R0.6 COCCSC(C)OC 62a_100009879195_100000233755 [0,1,0,0,0,0|1,1,1]=4 1638 B8R0.6 COCNC[C@@H](C)OC 2230a_100020591295_100000766300 [0,1,0,0,0,0|1,1,1]=4 1639 B8R0.6 COCSCC(=O)OC 62a_100000747449_100000766300 [0,1,0,0,0,0|0,1,0]=2 1640 B8R0.6 COCSCC(=O)OC 62a_100000766300_100000747449 [0,1,0,0,0,0|0,1,0]=2 1641 B8R0.6 CO[C@H](C)CNCSC 2230a_100020591295_100011218213 [0,1,0,0,0,0|1,0,1]=3 1642 B8R0.6 CSCCCC(=O)CF 1458a_100000173376_100015361967 [0,1,0,0,0,0|2,0,0]=3 1643 B8R0.6 CSCCNC(=O)CO 240690a_100020590264_100000210174 [0,1,0,0,0,0|2,0,0]=3 1644 B8R0.6 CSCCNC(=O)CO 527a_100020590264_100000210174 [0,1,0,0,0,0|2,0,0]=3 1645 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [0,1,0,0,0,0|3,0,0]=4 1646 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [0,1,0,0,0,0|3,0,0]=4 1647 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [0,1,0,0,0,0|3,0,0]=4 1648 B8R0.6 [13CH3]OCCCC(=O)NN 34a_100000211488_200025704644 [0,1,0,0,0,0|2,1,0]=4 1649 B8R0.8 C#CCCC(=O)C(=C)C 1458a_100000185857_100000753159 [0,1,0,0,0,0|2,0,1]=4 1650 B8R0.8 C#CCCC(=O)C(C)C 1458a_100000210198_100000753159 [0,1,0,0,0,0|2,0,1]=4 1651 B8R0.8 C#CCCC(=O)C(C)C 1458a_100000692101_100000210206 [0,1,0,0,0,0|2,0,1]=4 1652 B8R0.8 C#CCCC(=O)C(C)F 1458a_100000062450_100000753159 [0,1,0,0,0,0|2,0,1]=4 1653 B8R0.8 C#CCCC(=O)N(C)C 11a_100102631434_100000692101 [0,1,0,0,0,0|2,0,1]=4 1654 B8R0.8 C#CCCC(=O)N(C)C 1626a_100102631434_100000692101 [0,1,0,0,0,0|2,0,1]=4 1655 B8R0.8 C#CCCC(=O)N(C)C 240690a_100102631434_100000692101 [0,1,0,0,0,0|2,0,1]=4 1656 B8R0.8 C#CCCC(=O)N(C)C 527a_100102631434_100000692101 [0,1,0,0,0,0|2,0,1]=4 1657 B8R0.8 C#CCCC(=O)[C@@H](C)O 1458a_100000717761_100000753159 [0,1,0,0,0,0|2,0,1]=4 1658 B8R0.8 C#CCCC(=O)[C@H](C)O 1458a_217856618621_100000753159 [0,1,0,0,0,0|2,0,1]=4 1659 B8R0.8 C/C=C/CC(=O)C(C)C 1458a_100000210198_100102629194 [0,1,0,0,0,0|2,0,1]=4 1660 B8R0.8 C/C=C/CC(=O)C(C)F 1458a_100000062450_100102629194 [0,1,0,0,0,0|2,0,1]=4 1661 B8R0.8 C/C=C/CC(=O)[C@@H](C)O 1458a_100000717761_100102629194 [0,1,0,0,0,0|2,0,1]=4 1662 B8R0.8 C/C=C/CC(=O)[C@H](C)O 1458a_217856618621_100102629194 [0,1,0,0,0,0|2,0,1]=4 1663 B8R0.8 C=C(C)C(=O)C/C=C/C 1458a_100000185857_100102629194 [0,1,0,0,0,0|2,0,1]=4 1664 B8R0.8 C=C(C)C(=O)CC#CC 1458a_100000185857_100000748600 [0,1,0,0,0,0|2,0,1]=4 1665 B8R0.8 C=C(C)C(=O)CC=CC 1458a_100000185857_100000070051 [0,1,0,0,0,0|2,0,1]=4 1666 B8R0.8 C=C(C)C(=O)CCC#N 1458a_100000185857_100011215226 [0,1,0,0,0,0|3,0,0]=4 1667 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [0,1,0,0,0,0|2,0,0]=3 1668 B8R0.8 C=C(C)C(=O)CCCF 1458a_100000185857_100011934791 [0,1,0,0,0,0|3,0,0]=4 1669 B8R0.8 C=C(C)C(=O)CCCO 1458a_100000185857_100011215043 [0,1,0,0,0,0|3,0,0]=4 1670 B8R0.8 C=C(C)C(=O)CCOC 1458a_100000185857_100000233755 [0,1,0,0,0,0|1,1,0]=3 1671 B8R0.8 C=C(C)C(=O)CCSC 1458a_100000185857_100000751147 [0,1,0,0,0,0|1,0,0]=2 1672 B8R0.8 C=C(C)C(=O)NCCC 11a_100020643023_100000185857 [0,1,0,0,0,0|3,0,0]=4 1673 B8R0.8 C=C(C)C(=O)NCCC 1626a_100020643023_100000185857 [0,1,0,0,0,0|3,0,0]=4 1674 B8R0.8 C=CCCC(=O)C(=C)C 1458a_100000185857_100000754431 [0,1,0,0,0,0|2,0,1]=4 1675 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000210198_100000754431 [0,1,0,0,0,0|2,0,1]=4 1676 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000749702_100000210206 [0,1,0,0,0,0|2,0,1]=4 1677 B8R0.8 C=CCCC(=O)C(C)F 1458a_100000062450_100000754431 [0,1,0,0,0,0|2,0,1]=4 1678 B8R0.8 C=CCCC(=O)N(C)C 11a_100102631434_100000749702 [0,1,0,0,0,0|2,0,1]=4 1679 B8R0.8 C=CCCC(=O)N(C)C 1626a_100102631434_100000749702 [0,1,0,0,0,0|2,0,1]=4 1680 B8R0.8 C=CCCC(=O)N(C)C 240690a_100102631434_100000749702 [0,1,0,0,0,0|2,0,1]=4 1681 B8R0.8 C=CCCC(=O)N(C)C 527a_100102631434_100000749702 [0,1,0,0,0,0|2,0,1]=4 1682 B8R0.8 C=CCCC(=O)[C@@H](C)O 1458a_100000717761_100000754431 [0,1,0,0,0,0|2,0,1]=4 1683 B8R0.8 C=CCCC(=O)[C@H](C)O 1458a_217856618621_100000754431 [0,1,0,0,0,0|2,0,1]=4 1684 B8R0.8 CC#CCC(=O)C(C)C 1458a_100000210198_100000748600 [0,1,0,0,0,0|2,0,1]=4 1685 B8R0.8 CC#CCC(=O)C(C)F 1458a_100000062450_100000748600 [0,1,0,0,0,0|2,0,1]=4 1686 B8R0.8 CC#CCC(=O)[C@@H](C)O 1458a_100000717761_100000748600 [0,1,0,0,0,0|2,0,1]=4 1687 B8R0.8 CC#CCC(=O)[C@H](C)O 1458a_217856618621_100000748600 [0,1,0,0,0,0|2,0,1]=4 1688 B8R0.8 CC(C)C(=O)CCC#N 1458a_100000210198_100011215226 [0,1,0,0,0,0|3,0,0]=4 1689 B8R0.8 CC(C)C(=O)CCC#N 1458a_100011934036_100000210206 [0,1,0,0,0,0|3,0,0]=4 1690 B8R0.8 CC(C)C(=O)CCCF 1458a_100000210198_100011934791 [0,1,0,0,0,0|3,0,0]=4 1691 B8R0.8 CC(C)C(=O)CCCO 1458a_100000210198_100011215043 [0,1,0,0,0,0|3,0,0]=4 1692 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_100000139345_200025704644 [0,1,0,0,0,0|2,0,0]=3 1693 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_200025704644_100000139345 [0,1,0,0,0,0|2,0,0]=3 1694 B8R0.8 CC(F)C(=O)CCC#N 1458a_100000062450_100011215226 [0,1,0,0,0,0|3,0,0]=4 1695 B8R0.8 CC(F)C(=O)CCCF 1458a_100000062450_100011934791 [0,1,0,0,0,0|3,0,0]=4 1696 B8R0.8 CC(F)C(=O)CCCO 1458a_100000062450_100011215043 [0,1,0,0,0,0|3,0,0]=4 1697 B8R0.8 CC=CCC(=O)C(C)C 1458a_100000210198_100000070051 [0,1,0,0,0,0|2,0,1]=4 1698 B8R0.8 CC=CCC(=O)C(C)C 1458a_100121576822_100000210206 [0,1,0,0,0,0|2,0,1]=4 1699 B8R0.8 CC=CCC(=O)C(C)F 1458a_100000062450_100000070051 [0,1,0,0,0,0|2,0,1]=4 1700 B8R0.8 CC=CCC(=O)N(C)C 11a_100102631434_100121576822 [0,1,0,0,0,0|2,0,1]=4 1701 B8R0.8 CC=CCC(=O)N(C)C 1626a_100102631434_100121576822 [0,1,0,0,0,0|2,0,1]=4 1702 B8R0.8 CC=CCC(=O)N(C)C 240690a_100102631434_100121576822 [0,1,0,0,0,0|2,0,1]=4 1703 B8R0.8 CC=CCC(=O)N(C)C 527a_100102631434_100121576822 [0,1,0,0,0,0|2,0,1]=4 1704 B8R0.8 CC=CCC(=O)[C@@H](C)O 1458a_100000717761_100000070051 [0,1,0,0,0,0|2,0,1]=4 1705 B8R0.8 CC=CCC(=O)[C@H](C)O 1458a_217856618621_100000070051 [0,1,0,0,0,0|2,0,1]=4 1706 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210183_100000210206 [0,1,0,0,0,0|2,0,0]=3 1707 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210198_100000210211 [0,1,0,0,0,0|2,0,0]=3 1708 B8R0.8 CCCCC(=O)C(C)F 1458a_100000062450_100000210211 [0,1,0,0,0,0|2,0,0]=3 1709 B8R0.8 CCCCC(=O)C(O)O 1458a_100000233687_100000210211 [0,1,0,0,0,0|3,0,0]=4 1710 B8R0.8 CCCCC(=O)N(C)C 11a_100102631434_100000210183 [0,1,0,0,0,0|2,0,0]=3 1711 B8R0.8 CCCCC(=O)N(C)C 1626a_100102631434_100000210183 [0,1,0,0,0,0|2,0,0]=3 1712 B8R0.8 CCCCC(=O)N(C)C 240690a_100102631434_100000210183 [0,1,0,0,0,0|2,0,0]=3 1713 B8R0.8 CCCCC(=O)N(C)C 527a_100102631434_100000210183 [0,1,0,0,0,0|2,0,0]=3 1714 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [0,1,0,0,0,0|2,0,0]=3 1715 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [0,1,0,0,0,0|2,0,0]=3 1716 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [0,1,0,0,0,0|3,0,0]=4 1717 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [0,1,0,0,0,0|3,0,0]=4 1718 B8R0.8 CCCNC(=O)C(C)C 11a_100020643023_100000210198 [0,1,0,0,0,0|3,0,0]=4 1719 B8R0.8 CCCNC(=O)C(C)C 1626a_100020643023_100000210198 [0,1,0,0,0,0|3,0,0]=4 1720 B8R0.8 CCCNC(=O)C(C)C 240690a_100020643023_100000210198 [0,1,0,0,0,0|3,0,0]=4 1721 B8R0.8 CCCNC(=O)C(C)C 527a_100020643023_100000210198 [0,1,0,0,0,0|3,0,0]=4 1722 B8R0.8 CCCNC(=O)C(C)F 11a_100020643023_100000062450 [0,1,0,0,0,0|3,0,0]=4 1723 B8R0.8 CCCNC(=O)C(C)F 1626a_100020643023_100000062450 [0,1,0,0,0,0|3,0,0]=4 1724 B8R0.8 CCCNC(=O)C(C)F 240690a_100020643023_100000062450 [0,1,0,0,0,0|3,0,0]=4 1725 B8R0.8 CCCNC(=O)C(C)F 527a_100020643023_100000062450 [0,1,0,0,0,0|3,0,0]=4 1726 B8R0.8 CCCNC(=O)N(C)C 2708a_100020643023_100102631434 [0,1,0,0,0,0|3,0,0]=4 1727 B8R0.8 CCCNC(=O)[C@@H](C)O 240690a_100020643023_100000717761 [0,1,0,0,0,0|3,0,0]=4 1728 B8R0.8 CCCNC(=O)[C@H](C)O 1626a_100020643023_217856618621 [0,1,0,0,0,0|3,0,0]=4 1729 B8R0.8 CCCNC(=O)[C@H](C)O 240690a_100020643023_217856618621 [0,1,0,0,0,0|3,0,0]=4 1730 B8R0.8 CCNCC(=O)C(C)C 2230a_100015525214_100000753385 [0,1,0,0,0,0|3,0,0]=4 1731 B8R0.8 CCNCC(=O)N(C)C 2230a_100015183351_100000210202 [0,1,0,0,0,0|3,0,0]=4 1732 B8R0.8 CCNCC(=O)N(C)C 2230a_100015525214_100000185267 [0,1,0,0,0,0|3,0,0]=4 1733 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [0,1,0,0,0,0|3,0,0]=4 1734 B8R0.8 CCOCC(=O)C(C)C 1458a_100000211967_100000210206 [0,1,0,0,0,0|3,0,0]=4 1735 B8R0.8 CCOCC(=O)C(C)C 34a_100121572206_100000753385 [0,1,0,0,0,0|3,0,0]=4 1736 B8R0.8 CCOCC(=O)N(C)C 11a_100102631434_100000211967 [0,1,0,0,0,0|3,0,0]=4 1737 B8R0.8 CCOCC(=O)N(C)C 1626a_100102631434_100000211967 [0,1,0,0,0,0|3,0,0]=4 1738 B8R0.8 CCOCC(=O)N(C)C 240690a_100102631434_100000211967 [0,1,0,0,0,0|3,0,0]=4 1739 B8R0.8 CCOCC(=O)N(C)C 34a_100121572206_100000692301 [0,1,0,0,0,0|3,0,0]=4 1740 B8R0.8 CCOCC(=O)N(C)C 527a_100102631434_100000211967 [0,1,0,0,0,0|3,0,0]=4 1741 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [0,1,0,0,0,0|3,0,0]=4 1742 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [0,1,0,0,0,0|3,0,0]=4 1743 B8R0.8 CCSCC(=O)C(C)C 1458a_100000230394_100000210206 [0,1,0,0,0,0|3,0,0]=4 1744 B8R0.8 CCSCC(=O)C(C)C 62a_100000210202_100000753385 [0,1,0,0,0,0|3,0,0]=4 1745 B8R0.8 CCSCC(=O)C(C)C 62a_100000753385_100000210202 [0,1,0,0,0,0|3,0,0]=4 1746 B8R0.8 CCSCC(=O)N(C)C 11a_100102631434_100000230394 [0,1,0,0,0,0|3,0,0]=4 1747 B8R0.8 CCSCC(=O)N(C)C 1626a_100102631434_100000230394 [0,1,0,0,0,0|3,0,0]=4 1748 B8R0.8 CCSCC(=O)N(C)C 240690a_100102631434_100000230394 [0,1,0,0,0,0|3,0,0]=4 1749 B8R0.8 CCSCC(=O)N(C)C 527a_100102631434_100000230394 [0,1,0,0,0,0|3,0,0]=4 1750 B8R0.8 CCSCC(=O)N(C)C 62a_100000210202_100000692301 [0,1,0,0,0,0|3,0,0]=4 1751 B8R0.8 CCSCC(=O)N(C)C 62a_100000692301_100000210202 [0,1,0,0,0,0|3,0,0]=4 1752 B8R0.8 CN(C)C(=O)CCC#N 11a_100102631434_100011934036 [0,1,0,0,0,0|3,0,0]=4 1753 B8R0.8 CN(C)C(=O)CCC#N 1626a_100102631434_100011934036 [0,1,0,0,0,0|3,0,0]=4 1754 B8R0.8 CN(C)C(=O)CCC#N 240690a_100102631434_100011934036 [0,1,0,0,0,0|3,0,0]=4 1755 B8R0.8 CN(C)C(=O)CCC#N 527a_100102631434_100011934036 [0,1,0,0,0,0|3,0,0]=4 1756 B8R0.8 CN(C)C(=O)CCN[13CH3] 2230a_100000738053_200025704644 [0,1,0,0,0,0|2,0,0]=3 1757 B8R0.8 CN(C)C(=O)CCO[13CH3] 34a_200000747469_200025704644 [0,1,0,0,0,0|1,1,0]=3 1758 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_100000737620_200025704644 [0,1,0,0,0,0|1,0,0]=2 1759 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_200025704644_100000737620 [0,1,0,0,0,0|1,0,0]=2 1760 B8R0.8 CNCCC(=O)N(C)C 2230a_100000738053_200000210301 [0,1,0,0,0,0|2,0,0]=3 1761 B8R0.8 CNCCC(=O)N(C)C 2230a_106832991635_100000737620 [0,1,0,0,0,0|2,0,0]=3 1762 B8R0.8 CNCCC(=O)N(C)C 7a_106832991635_100000737620 [0,1,0,0,0,0|2,0,0]=3 1763 B8R0.8 COCCC(=O)C(C)C 1458a_100000210198_100000233755 [0,1,0,0,0,0|1,1,0]=3 1764 B8R0.8 COCCC(=O)C(C)C 1458a_100000749529_100000210206 [0,1,0,0,0,0|1,1,0]=3 1765 B8R0.8 COCCC(=O)C(C)F 1458a_100000062450_100000233755 [0,1,0,0,0,0|1,1,0]=3 1766 B8R0.8 COCCC(=O)C(O)O 1458a_100000233687_100000233755 [0,1,0,0,0,0|2,1,0]=4 1767 B8R0.8 COCCC(=O)N(C)C 11a_100102631434_100000749529 [0,1,0,0,0,0|1,1,0]=3 1768 B8R0.8 COCCC(=O)N(C)C 1626a_100102631434_100000749529 [0,1,0,0,0,0|1,1,0]=3 1769 B8R0.8 COCCC(=O)N(C)C 240690a_100102631434_100000749529 [0,1,0,0,0,0|1,1,0]=3 1770 B8R0.8 COCCC(=O)N(C)C 34a_200000747469_200000210301 [0,1,0,0,0,0|1,1,0]=3 1771 B8R0.8 COCCC(=O)N(C)C 527a_100102631434_100000749529 [0,1,0,0,0,0|1,1,0]=3 1772 B8R0.8 COCCC(=O)[C@@H](C)O 1458a_100000717761_100000233755 [0,1,0,0,0,0|1,1,0]=3 1773 B8R0.8 COCCC(=O)[C@H](C)O 1458a_217856618621_100000233755 [0,1,0,0,0,0|1,1,0]=3 1774 B8R0.8 CSCCC(=C(F)F)F 62a_100009813398_200000210301 [0,1,0,0,0,0|3,0,0]=4 1775 B8R0.8 CSCCC(=C(F)F)F 62a_200000210301_100009813398 [0,1,0,0,0,0|3,0,0]=4 1776 B8R0.8 CSCCC(=O)C(C)C 1458a_100000174002_100000210206 [0,1,0,0,0,0|1,0,0]=2 1777 B8R0.8 CSCCC(=O)C(C)C 1458a_100000210198_100000751147 [0,1,0,0,0,0|1,0,0]=2 1778 B8R0.8 CSCCC(=O)C(C)F 1458a_100000062450_100000751147 [0,1,0,0,0,0|1,0,0]=2 1779 B8R0.8 CSCCC(=O)C(O)O 1458a_100000233687_100000751147 [0,1,0,0,0,0|2,0,0]=3 1780 B8R0.8 CSCCC(=O)N(C)C 11a_100102631434_100000174002 [0,1,0,0,0,0|1,0,0]=2 1781 B8R0.8 CSCCC(=O)N(C)C 1626a_100102631434_100000174002 [0,1,0,0,0,0|1,0,0]=2 1782 B8R0.8 CSCCC(=O)N(C)C 240690a_100102631434_100000174002 [0,1,0,0,0,0|1,0,0]=2 1783 B8R0.8 CSCCC(=O)N(C)C 527a_100102631434_100000174002 [0,1,0,0,0,0|1,0,0]=2 1784 B8R0.8 CSCCC(=O)N(C)C 62a_100000737620_200000210301 [0,1,0,0,0,0|1,0,0]=2 1785 B8R0.8 CSCCC(=O)N(C)C 62a_200000210301_100000737620 [0,1,0,0,0,0|1,0,0]=2 1786 B8R0.8 CSCCC(=O)[C@@H](C)O 1458a_100000717761_100000751147 [0,1,0,0,0,0|1,0,0]=2 1787 B8R0.8 CSCCC(=O)[C@H](C)O 1458a_217856618621_100000751147 [0,1,0,0,0,0|1,0,0]=2 1788 B8R0.8 CSCCC(C)N(C)C 270004a_100102631434_100011217047 [0,1,0,0,0,0|2,0,1]=4 1789 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [0,1,0,0,0,0|1,0,2]=4 1790 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [0,1,0,0,0,0|1,0,2]=4 1791 B8R0.8 CSCCN(C)C(=O)C 11a_100000686725_100015343762 [0,1,0,0,0,0|3,0,0]=4 1792 B8R0.8 CSCCN(C)C(=O)C 1626a_100000686725_100015343762 [0,1,0,0,0,0|3,0,0]=4 1793 B8R0.8 CSCCN(C)C(=O)C 240690a_100000686725_100015343762 [0,1,0,0,0,0|3,0,0]=4 1794 B8R0.8 CSCCN(C)C(=O)C 527a_100000686725_100103153847 [0,1,0,0,0,0|3,0,0]=4 1795 B8R0.8 CSCCN(C)C(C)C 2230a_100000686725_100000210206 [0,1,0,0,0,0|3,0,0]=4 1796 B8R0.8 CSCCN(C)C(C)C 269982a_100000686725_100000210206 [0,1,0,0,0,0|3,0,0]=4 1797 B8R0.8 CSCCN(C)C(C)C 269982a_200000211004_100000212216 [0,1,0,0,0,0|3,0,0]=4 1798 B8R0.8 CSCOC(=O)C(C)C 62a_100000139345_200000210301 [0,1,0,0,0,0|2,0,0]=3 1799 B8R0.8 CSCOC(=O)C(C)C 62a_200000210301_100000139345 [0,1,0,0,0,0|2,0,0]=3 1800 B8R0.8 C[C@@H](O)C(=O)CCC#N 1458a_100000717761_100011215226 [0,1,0,0,0,0|3,0,0]=4 1801 B8R0.8 C[C@@H](O)C(=O)CCCF 1458a_100000717761_100011934791 [0,1,0,0,0,0|3,0,0]=4 1802 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [0,1,0,0,0,0|3,0,0]=4 1803 B8R0.8 C[C@H](O)C(=O)CCC#N 1458a_217856618621_100011215226 [0,1,0,0,0,0|3,0,0]=4 1804 B8R0.8 C[C@H](O)C(=O)CCCF 1458a_217856618621_100011934791 [0,1,0,0,0,0|3,0,0]=4 1805 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [0,1,0,0,0,0|3,0,0]=4 1806 B8R0.8 [13CH3]SCCC(=C(F)F)F 62a_100009813398_200025704644 [0,1,0,0,0,0|3,0,0]=4 1807 B8R0.8 [13CH3]SCCC(=C(F)F)F 62a_200025704644_100009813398 [0,1,0,0,0,0|3,0,0]=4 1808 B8R0.9 C#CC(=O)CCC(=C)C 1458a_100000211873_100000730704 [0,1,0,0,0,0|2,0,1]=4 1809 B8R0.9 C#CC(=O)CCC(C)C 1458a_100000211873_100000210312 [0,1,0,0,0,0|2,0,1]=4 1810 B8R0.9 C#CC(=O)CCC(C)O 1458a_100000211873_100012276601 [0,1,0,0,0,0|2,0,1]=4 1811 B8R0.9 C=C(C)CCC(=O)CC 1458a_100000210414_100000730704 [0,1,0,0,0,0|2,0,0]=3 1812 B8R0.9 C=C(C)CCC(=O)CC 1458a_200000688413_100000210202 [0,1,0,0,0,0|2,0,0]=3 1813 B8R0.9 C=C(C)CCC(=O)CF 1458a_200000688413_100015361967 [0,1,0,0,0,0|3,0,0]=4 1814 B8R0.9 C=C(C)CCC(=O)CO 1458a_100000210174_100000730704 [0,1,0,0,0,0|3,0,0]=4 1815 B8R0.9 C=C(C)CCC(=O)NC 11a_106832991635_200000688413 [0,1,0,0,0,0|2,0,0]=3 1816 B8R0.9 C=C(C)CCC(=O)NC 1626a_100102657272_200000688413 [0,1,0,0,0,0|2,0,0]=3 1817 B8R0.9 C=C(C)CCC(=O)NC 240690a_100102657272_200000688413 [0,1,0,0,0,0|2,0,0]=3 1818 B8R0.9 C=C(C)CCC(=O)NC 527a_100102657272_200000688413 [0,1,0,0,0,0|2,0,0]=3 1819 B8R0.9 C=C(C)CNC(=O)CC 11a_100000765925_100000210414 [0,1,0,0,0,0|3,0,0]=4 1820 B8R0.9 C=C(C)CNC(=O)CC 1626a_100000765925_100000210414 [0,1,0,0,0,0|3,0,0]=4 1821 B8R0.9 C=C(C)CNC(=O)CC 240690a_100000765925_100000210414 [0,1,0,0,0,0|3,0,0]=4 1822 B8R0.9 C=C(C)CNC(=O)CC 527a_100000765925_100000210414 [0,1,0,0,0,0|3,0,0]=4 1823 B8R0.9 C=C(C)CNC(=O)NC 2708a_100000765925_106832991635 [0,1,0,0,0,0|3,0,0]=4 1824 B8R0.9 C=C(C)CNC(=O)NC 2708a_100102657272_100000765925 [0,1,0,0,0,0|3,0,0]=4 1825 B8R0.9 C=C(C)CNC(=O)NC 273464a_100000765925_100102657272 [0,1,0,0,0,0|3,0,0]=4 1826 B8R0.9 C=C(C)CNC(=O)NC 273464a_100102657272_100000765925 [0,1,0,0,0,0|3,0,0]=4 1827 B8R0.9 C=C(C)CNC(=O)NC 512a_100000765925_100102657272 [0,1,0,0,0,0|3,0,0]=4 1828 B8R0.9 C=C(C)CNC(=O)NC 512a_106832991638_100000765925 [0,1,0,0,0,0|3,0,0]=4 1829 B8R0.9 C=CC(=O)CCC(=C)C 1458a_100000185746_100000730704 [0,1,0,0,0,0|2,0,1]=4 1830 B8R0.9 C=CC(=O)CCC(C)C 1458a_100000185746_100000210312 [0,1,0,0,0,0|2,0,1]=4 1831 B8R0.9 C=CC(=O)CCC(C)O 1458a_100000185746_100012276601 [0,1,0,0,0,0|2,0,1]=4 1832 B8R0.9 CC(C)CCC(=O)CF 1458a_100000181311_100015361967 [0,1,0,0,0,0|3,0,0]=4 1833 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [0,1,0,0,0,0|3,0,0]=4 1834 B8R0.9 CC(C)CCC(C)O[13CH3] 34a_100011215350_200025704644 [0,1,0,0,0,0|2,0,1]=4 1835 B8R0.9 CC(C)CCC(C)O[13CH3] 7a_100011215350_200025704644 [0,1,0,0,0,0|2,0,1]=4 1836 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [0,1,0,0,0,0|3,0,0]=4 1837 B8R0.9 CCC(=O)CC=C(C)C 1458a_100000210414_100000761012 [0,1,0,0,0,0|2,0,1]=4 1838 B8R0.9 CCC(=O)CC=C(C)C 1458a_100011220947_100000210202 [0,1,0,0,0,0|2,0,1]=4 1839 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [0,1,0,0,0,0|3,0,0]=4 1840 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [0,1,0,0,0,0|2,0,0]=3 1841 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [0,1,0,0,0,0|2,0,0]=3 1842 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [0,1,0,0,0,0|2,0,0]=3 1843 B8R0.9 CCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210202 [0,1,0,0,0,0|3,0,0]=4 1844 B8R0.9 CCC(=O)CC[S+](C)C 1458a_100009452791_100000210202 [0,1,0,0,0,0|1,0,1]=3 1845 B8R0.9 CCC(=O)CNC(=O)C 1458a_100000194580_100000210202 [0,1,0,0,0,0|3,0,0]=4 1846 B8R0.9 CCC(=O)COC(=O)C 1458a_100000183556_100000210202 [0,1,0,0,0,0|3,0,0]=4 1847 B8R0.9 CCC(=O)COC(C)C 1458a_100000745533_100000210202 [0,1,0,0,0,0|3,0,0]=4 1848 B8R0.9 CCC(=O)COC(C)C 34a_100000725409_100000210206 [0,1,0,0,0,0|3,0,0]=4 1849 B8R0.9 CCC(=O)CSC(=O)C 1458a_100000049016_100000210202 [0,1,0,0,0,0|3,0,0]=4 1850 B8R0.9 CCC(=O)CSC(C)C 1458a_100000241585_100000210202 [0,1,0,0,0,0|3,0,0]=4 1851 B8R0.9 CCC(=O)CSC(C)C 62a_100000210206_100000747405 [0,1,0,0,0,0|3,0,0]=4 1852 B8R0.9 CCC(=O)CSC(C)C 62a_100000747405_100000210206 [0,1,0,0,0,0|3,0,0]=4 1853 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [0,1,0,0,0,0|3,0,0]=4 1854 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [0,1,0,0,0,0|3,0,0]=4 1855 B8R0.9 CCC(=O)NCC(C)C 11a_100000210953_100000210414 [0,1,0,0,0,0|3,0,0]=4 1856 B8R0.9 CCC(=O)NCC(C)C 1626a_100000210953_100000210414 [0,1,0,0,0,0|3,0,0]=4 1857 B8R0.9 CCC(=O)NCC(C)C 240690a_100000210953_100000210414 [0,1,0,0,0,0|3,0,0]=4 1858 B8R0.9 CCC(=O)NCC(C)C 527a_100000210953_100000210414 [0,1,0,0,0,0|3,0,0]=4 1859 B8R0.9 CCC(=O)NCC(C)O 11a_100000210904_100000210414 [0,1,0,0,0,0|3,0,0]=4 1860 B8R0.9 CCC(=O)NCC(C)O 240690a_100000210904_100000210414 [0,1,0,0,0,0|3,0,0]=4 1861 B8R0.9 CCC(=O)NCC(C)O 527a_100000210904_100000210414 [0,1,0,0,0,0|3,0,0]=4 1862 B8R0.9 CCS(=O)CCC(=O)C 1458a_100011387550_200000210301 [0,1,0,0,0,0|3,0,0]=4 1863 B8R0.9 CCS(=O)CCC(=O)[13CH3] 1458a_100011387550_200025704644 [0,1,0,0,0,0|3,0,0]=4 1864 B8R0.9 CNC(=O)CC=C(C)C 11a_106832991635_100011220947 [0,1,0,0,0,0|2,0,1]=4 1865 B8R0.9 CNC(=O)CC=C(C)C 1626a_100102657272_100011220947 [0,1,0,0,0,0|2,0,1]=4 1866 B8R0.9 CNC(=O)CC=C(C)C 240690a_100102657272_100011220947 [0,1,0,0,0,0|2,0,1]=4 1867 B8R0.9 CNC(=O)CC=C(C)C 527a_100102657272_100011220947 [0,1,0,0,0,0|2,0,1]=4 1868 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [0,1,0,0,0,0|2,0,0]=3 1869 B8R0.9 CNC(=O)CCC(=O)N 240690a_100102657272_100011215257 [0,1,0,0,0,0|3,0,0]=4 1870 B8R0.9 CNC(=O)CCC(=O)N 527a_100102657272_100011215257 [0,1,0,0,0,0|3,0,0]=4 1871 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [0,1,0,0,0,0|2,0,0]=3 1872 B8R0.9 CNC(=O)CCC(C)C 11a_106832991635_100000181311 [0,1,0,0,0,0|2,0,0]=3 1873 B8R0.9 CNC(=O)CCC(C)C 1626a_100102657272_100000181311 [0,1,0,0,0,0|2,0,0]=3 1874 B8R0.9 CNC(=O)CCC(C)C 240690a_100102657272_100000181311 [0,1,0,0,0,0|2,0,0]=3 1875 B8R0.9 CNC(=O)CCC(C)C 527a_100102657272_100000181311 [0,1,0,0,0,0|2,0,0]=3 1876 B8R0.9 CNC(=O)CCC(C)O 1626a_100102657272_100000718519 [0,1,0,0,0,0|2,0,0]=3 1877 B8R0.9 CNC(=O)CCN(C)C 11a_106832991635_100000689311 [0,1,0,0,0,0|2,0,0]=3 1878 B8R0.9 CNC(=O)CCN(C)C 2230a_100000750875_200000210301 [0,1,0,0,0,0|2,0,0]=3 1879 B8R0.9 CNC(=O)CCN(C)C 2230a_100102631434_100000737683 [0,1,0,0,0,0|2,0,0]=3 1880 B8R0.9 CNC(=O)CCN(C)C 240690a_100102657272_100000689311 [0,1,0,0,0,0|2,0,0]=3 1881 B8R0.9 CNC(=O)CCN(C)C 269982a_100000750875_200000210301 [0,1,0,0,0,0|2,0,0]=3 1882 B8R0.9 CNC(=O)CCN(C)C 269982a_100102631434_100000737683 [0,1,0,0,0,0|2,0,0]=3 1883 B8R0.9 CNC(=O)CCN(C)C 527a_100102657272_100000689311 [0,1,0,0,0,0|2,0,0]=3 1884 B8R0.9 CNC(=O)CCN(C)[13CH3] 2230a_100000750875_200025704644 [0,1,0,0,0,0|2,0,0]=3 1885 B8R0.9 CNC(=O)CCN(C)[13CH3] 269982a_100000750875_200025704644 [0,1,0,0,0,0|2,0,0]=3 1886 B8R0.9 CNC(=O)CC[N+](=O)[O-] 11a_106832991635_200000064761 [0,1,0,0,0,0|3,0,0]=4 1887 B8R0.9 CNC(=O)CC[N+](=O)[O-] 1626a_100102657272_200000064761 [0,1,0,0,0,0|3,0,0]=4 1888 B8R0.9 CNC(=O)CC[N+](=O)[O-] 240690a_100102657272_200000064761 [0,1,0,0,0,0|3,0,0]=4 1889 B8R0.9 CNC(=O)CC[S+](C)C 11a_106832991635_100009452791 [0,1,0,0,0,0|1,0,1]=3 1890 B8R0.9 CNC(=O)CC[S+](C)C 1626a_100102657272_100009452791 [0,1,0,0,0,0|1,0,1]=3 1891 B8R0.9 CNC(=O)CC[S+](C)C 240690a_100102657272_100009452791 [0,1,0,0,0,0|1,0,1]=3 1892 B8R0.9 CNC(=O)CNC(=O)C 11a_100000693194_100015343762 [0,1,0,0,0,0|3,0,0]=4 1893 B8R0.9 CNC(=O)CNC(=O)C 11a_106832991635_100000194580 [0,1,0,0,0,0|3,0,0]=4 1894 B8R0.9 CNC(=O)CNC(=O)C 1626a_100102657272_100000194580 [0,1,0,0,0,0|3,0,0]=4 1895 B8R0.9 CNC(=O)CNC(=O)C 240690a_100000693194_100015343762 [0,1,0,0,0,0|3,0,0]=4 1896 B8R0.9 CNC(=O)CNC(=O)C 240690a_100102657272_100000194580 [0,1,0,0,0,0|3,0,0]=4 1897 B8R0.9 CNC(=O)CNC(=O)C 527a_100000693194_100103153847 [0,1,0,0,0,0|3,0,0]=4 1898 B8R0.9 CNC(=O)CNC(=O)C 527a_100102657272_100000194580 [0,1,0,0,0,0|3,0,0]=4 1899 B8R0.9 CNC(=O)CNC(C)C 2230a_100000693194_100000210206 [0,1,0,0,0,0|3,0,0]=4 1900 B8R0.9 CNC(=O)CNC(C)C 2230a_100138425928_100000183359 [0,1,0,0,0,0|3,0,0]=4 1901 B8R0.9 CNC(=O)CNC(C)C 34a_100138425928_100000183359 [0,1,0,0,0,0|3,0,0]=4 1902 B8R0.9 CNC(=O)COC(=O)C 1626a_100102657272_100000183556 [0,1,0,0,0,0|3,0,0]=4 1903 B8R0.9 CNC(=O)COC(=O)C 240690a_100102657272_100000183556 [0,1,0,0,0,0|3,0,0]=4 1904 B8R0.9 CNC(=O)COC(=O)C 527a_100102657272_100000183556 [0,1,0,0,0,0|3,0,0]=4 1905 B8R0.9 CNC(=O)COC(C)C 11a_106832991635_100000745533 [0,1,0,0,0,0|3,0,0]=4 1906 B8R0.9 CNC(=O)COC(C)C 1626a_100102657272_100000745533 [0,1,0,0,0,0|3,0,0]=4 1907 B8R0.9 CNC(=O)COC(C)C 240690a_100102657272_100000745533 [0,1,0,0,0,0|3,0,0]=4 1908 B8R0.9 CNC(=O)COC(C)C 34a_100000212225_100000183359 [0,1,0,0,0,0|3,0,0]=4 1909 B8R0.9 CNC(=O)COC(C)C 34a_100000750040_100000210206 [0,1,0,0,0,0|3,0,0]=4 1910 B8R0.9 CNC(=O)COC(C)C 527a_100102657272_100000745533 [0,1,0,0,0,0|3,0,0]=4 1911 B8R0.9 CNC(=O)CSC(=O)C 11a_106832991635_100000049016 [0,1,0,0,0,0|3,0,0]=4 1912 B8R0.9 CNC(=O)CSC(=O)C 1626a_100102657272_100000049016 [0,1,0,0,0,0|3,0,0]=4 1913 B8R0.9 CNC(=O)CSC(=O)C 240690a_100102657272_100000049016 [0,1,0,0,0,0|3,0,0]=4 1914 B8R0.9 CNC(=O)CSC(C)C 11a_106832991635_100000241585 [0,1,0,0,0,0|3,0,0]=4 1915 B8R0.9 CNC(=O)CSC(C)C 1626a_100102657272_100000241585 [0,1,0,0,0,0|3,0,0]=4 1916 B8R0.9 CNC(=O)CSC(C)C 240690a_100102657272_100000241585 [0,1,0,0,0,0|3,0,0]=4 1917 B8R0.9 CNC(=O)CSC(C)C 527a_100102657272_100000241585 [0,1,0,0,0,0|3,0,0]=4 1918 B8R0.9 CNC(=O)CSC(C)C 62a_100000183359_100000210206 [0,1,0,0,0,0|3,0,0]=4 1919 B8R0.9 CNC(=O)CSC(C)C 62a_100000210206_100000183359 [0,1,0,0,0,0|3,0,0]=4 1920 B8R0.9 CNC(=O)NCC(C)C 2708a_100000210953_106832991635 [0,1,0,0,0,0|3,0,0]=4 1921 B8R0.9 CNC(=O)NCC(C)C 2708a_100102657272_100000210953 [0,1,0,0,0,0|3,0,0]=4 1922 B8R0.9 CNC(=O)NCC(C)C 273464a_100000210953_100102657272 [0,1,0,0,0,0|3,0,0]=4 1923 B8R0.9 CNC(=O)NCC(C)C 273464a_100102657272_100000210953 [0,1,0,0,0,0|3,0,0]=4 1924 B8R0.9 CNC(=O)NCC(C)C 512a_100000210953_100102657272 [0,1,0,0,0,0|3,0,0]=4 1925 B8R0.9 CNC(=O)NCC(C)C 512a_106832991638_100000210953 [0,1,0,0,0,0|3,0,0]=4 1926 B8R0.9 CNC(=O)NCC(C)O 2708a_100102657272_100000210904 [0,1,0,0,0,0|3,0,0]=4 1927 B8R0.9 CNC(=O)NCC(C)O 273464a_100000210904_100102657272 [0,1,0,0,0,0|3,0,0]=4 1928 B8R0.9 CNC(=O)NCC(C)O 273464a_100102657272_100000210904 [0,1,0,0,0,0|3,0,0]=4 1929 B8R0.9 CNC(=O)NCC(C)O 512a_100000210904_100102657272 [0,1,0,0,0,0|3,0,0]=4 1930 B8R0.9 CNC(=O)NCC(C)O 512a_106832991638_100000210904 [0,1,0,0,0,0|3,0,0]=4 1931 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [0,1,0,0,0,0|1,0,0]=2 1932 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [0,1,0,0,0,0|1,0,0]=2 1933 B8R0.9 COC(=O)CCN(C)C 2230a_100102631434_100000204255 [0,1,0,0,0,0|1,0,0]=2 1934 B8R0.9 COC(=O)CCN(C)C 269982a_100025711912_200000210301 [0,1,0,0,0,0|1,0,0]=2 1935 B8R0.9 COC(=O)CCN(C)C 269982a_100102631434_100000204255 [0,1,0,0,0,0|1,0,0]=2 1936 B8R0.9 COC(=O)CCN(C)[13CH3] 269982a_100025711912_200025704644 [0,1,0,0,0,0|1,0,0]=2 1937 B8R0.9 COC(=O)CNC(=O)C 188690a_100000185156_100015343762 [0,1,0,0,0,0|2,0,0]=3 1938 B8R0.9 COC(=O)CNC(C)C 2230a_100138425928_100000747449 [0,1,0,0,0,0|2,0,0]=3 1939 B8R0.9 COC(=O)CNC(C)C 34a_100138425928_100000747449 [0,1,0,0,0,0|2,0,0]=3 1940 B8R0.9 COC(=O)COC(C)C 34a_100000212225_100000747449 [0,1,0,0,0,0|2,0,0]=3 1941 B8R0.9 COC(=O)CSC(C)C 62a_100000210206_100000747449 [0,1,0,0,0,0|2,0,0]=3 1942 B8R0.9 COC(=O)CSC(C)C 62a_100000747449_100000210206 [0,1,0,0,0,0|2,0,0]=3 1943 B8R0.9 COC(=O)NCC(=O)C 1458a_100000215747_200000210301 [0,1,0,0,0,0|2,0,0]=3 1944 B8R0.9 COC(=O)NCC(=O)[13CH3] 1458a_100000215747_200025704644 [0,1,0,0,0,0|2,0,0]=3 1945 B8R0.9 COC(C)CCC(C)C 34a_100011215350_200000210301 [0,1,0,0,0,0|2,0,1]=4 1946 B8R0.9 COC(C)CCC(C)C 34a_100138415774_100011261404 [0,1,0,0,0,0|2,0,1]=4 1947 B8R0.9 COC(C)CCC(C)C 7a_100011215350_200000210301 [0,1,0,0,0,0|2,0,1]=4 1948 B8R0.9 C[S+](C)CCC(=O)CF 1458a_100009452791_100015361967 [0,1,0,0,0,0|2,0,1]=4 1949 B8R0.11 C#CC(CCCC)OC 34a_200011217967_200000210301 [0,1,0,0,0,0|2,0,1]=4 1950 B8R0.11 C#CC(CCCC)OC 7a_200011217967_200000210301 [0,1,0,0,0,0|2,0,1]=4 1951 B8R0.11 C#CC(CCCC)O[13CH3] 34a_200011217967_200025704644 [0,1,0,0,0,0|2,0,1]=4 1952 B8R0.11 C#CC(CCCC)O[13CH3] 7a_200011217967_200025704644 [0,1,0,0,0,0|2,0,1]=4 1953 B8R0.11 C=CC(CCCC)OC 34a_200011215037_200000210301 [0,1,0,0,0,0|2,0,1]=4 1954 B8R0.11 C=CC(CCCC)OC 7a_200011215037_200000210301 [0,1,0,0,0,0|2,0,1]=4 1955 B8R0.11 C=CC(CCCC)O[13CH3] 34a_200011215037_200025704644 [0,1,0,0,0,0|2,0,1]=4 1956 B8R0.11 C=CC(CCCC)O[13CH3] 7a_200011215037_200025704644 [0,1,0,0,0,0|2,0,1]=4 1957 B8R0.11 CCCCC(CC)OC 34a_100011215227_200000210301 [0,1,0,0,0,0|2,0,1]=4 1958 B8R0.11 CCCCC(CC)OC 34a_100138415774_200011216223 [0,1,0,0,0,0|2,0,1]=4 1959 B8R0.11 CCCCC(CC)OC 7a_100011215227_200000210301 [0,1,0,0,0,0|2,0,1]=4 1960 B8R0.11 CCCCC(CC)O[13CH3] 34a_100011215227_200025704644 [0,1,0,0,0,0|2,0,1]=4 1961 B8R0.11 CCCCC(CC)O[13CH3] 7a_100011215227_200025704644 [0,1,0,0,0,0|2,0,1]=4 1962 B8R0.11 CCN(CC)CCSC 2230a_100000724800_100000751147 [0,1,0,0,0,0|3,0,0]=4 1963 B8R0.11 CCN(CC)CCSC 269956a_100000042499_100000212216 [0,1,0,0,0,0|3,0,0]=4 1964 B8R0.11 CCN(CC)CCSC 269982a_100000724800_100000212216 [0,1,0,0,0,0|3,0,0]=4 1965 B8R0.11 CCN(CC)CCSC 62a_200000210301_100000700428 [0,1,0,0,0,0|3,0,0]=4 1966 B8R0.11 CCN(CC)CCS[13CH3] 62a_200025704644_100000700428 [0,1,0,0,0,0|3,0,0]=4 1967 B8R0.11 CNCCC(OC)OC 2230a_106832991635_100009813347 [0,1,0,0,0,0|1,0,2]=4 1968 B8R0.11 CNCCC(OC)OC 34a_100102657272_100000139399 [0,1,0,0,0,0|1,0,2]=4 1969 B8R0.11 CNCCC(OC)OC 7a_106832991635_100009813347 [0,1,0,0,0,0|1,0,2]=4 1970 B8R0.11 CN[C@H](CO)CCSC 2230a_100011827619_200000210301 [0,1,0,0,0,0|1,0,2]=4 1971 B8R0.11 COC(CCSC)OC 62a_100000139399_200000210301 [0,1,0,0,0,0|0,0,2]=3 1972 B8R0.11 COC(CCSC)OC 62a_200000210301_100000139399 [0,1,0,0,0,0|0,0,2]=3 1973 B8R0.11 COC(CCS[13CH3])OC 62a_100000139399_200025704644 [0,1,0,0,0,0|0,0,2]=3 1974 B8R0.11 COC(CCS[13CH3])OC 62a_200025704644_100000139399 [0,1,0,0,0,0|0,0,2]=3 1975 B8R0.11 COCCC(OC)OC 34a_100138415774_100000139399 [0,1,0,0,0,0|0,1,2]=4 1976 B8R0.11 CSCC[C@@H](CO)N[13CH3] 2230a_100011827619_200025704644 [0,1,0,0,0,0|1,0,2]=4 1977 B8R0.19 C#CC(=O)CC(=O)OC 1458a_100000211873_100000747449 [0,1,0,0,0,0|1,0,2]=4 1978 B8R0.19 C#CC(=O)CC(C)CC 1458a_100000211873_100000748023 [0,1,0,0,0,0|2,0,1]=4 1979 B8R0.19 C#CC(=O)CC(O)CC 1458a_100000211873_100011218378 [0,1,0,0,0,0|2,0,1]=4 1980 B8R0.19 C#CC(=O)C[C@@H](C)CC 1458a_100000211873_100009816398 [0,1,0,0,0,0|2,0,1]=4 1981 B8R0.19 C=CC(=O)CC(=O)OC 1458a_100000185746_100000747449 [0,1,0,0,0,0|1,0,2]=4 1982 B8R0.19 C=CC(=O)CC(C)CC 1458a_100000185746_100000748023 [0,1,0,0,0,0|2,0,1]=4 1983 B8R0.19 C=CC(=O)CC(O)CC 1458a_100000185746_100011218378 [0,1,0,0,0,0|2,0,1]=4 1984 B8R0.19 C=CC(=O)C[C@@H](C)CC 1458a_100000185746_100009816398 [0,1,0,0,0,0|2,0,1]=4 1985 B8R0.19 C=CC(C)CC(=O)CC 1458a_100011934298_100000210202 [0,1,0,0,0,0|2,0,1]=4 1986 B8R0.19 C=CC(C)CC(=O)NC 11a_106832991635_100011934298 [0,1,0,0,0,0|2,0,1]=4 1987 B8R0.19 C=CC(C)CC(=O)NC 1626a_100102657272_100011934298 [0,1,0,0,0,0|2,0,1]=4 1988 B8R0.19 C=CC(C)CC(=O)NC 240690a_100102657272_100011934298 [0,1,0,0,0,0|2,0,1]=4 1989 B8R0.19 C=CC(C)CC(=O)NC 527a_100102657272_100011934298 [0,1,0,0,0,0|2,0,1]=4 1990 B8R0.19 CCC(=O)CC(=O)CC 1458a_100000210414_100000747405 [0,1,0,0,0,0|2,0,1]=4 1991 B8R0.19 CCC(=O)CC(=O)NC 1458a_100000210414_100000183359 [0,1,0,0,0,0|2,0,1]=4 1992 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000210414_100000747449 [0,1,0,0,0,0|1,0,1]=3 1993 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000211351_100000210202 [0,1,0,0,0,0|1,0,1]=3 1994 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [0,1,0,0,0,0|2,0,0]=3 1995 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [0,1,0,0,0,0|2,0,0]=3 1996 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [0,1,0,0,0,0|2,0,0]=3 1997 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [0,1,0,0,0,0|2,0,0]=3 1998 B8R0.19 CCC(=O)CN(C)CC 1458a_100116209913_100000210202 [0,1,0,0,0,0|3,0,0]=4 1999 B8R0.19 CCC(=O)CN(C)CC 269982a_100000225621_100000747405 [0,1,0,0,0,0|3,0,0]=4 2000 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [0,1,0,0,0,0|2,0,0]=3 2001 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [0,1,0,0,0,0|3,0,0]=4 2002 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [0,1,0,0,0,0|3,0,0]=4 2003 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [0,1,0,0,0,0|3,0,0]=4 2004 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [0,1,0,0,0,0|3,0,0]=4 2005 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [0,1,0,0,0,0|3,0,0]=4 2006 B8R0.19 CCC(C)CC(=O)CF 1458a_100000708755_100015361967 [0,1,0,0,0,0|3,0,0]=4 2007 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [0,1,0,0,0,0|3,0,0]=4 2008 B8R0.19 CCC(C)CC(=O)NC 11a_106832991635_100000708755 [0,1,0,0,0,0|2,0,0]=3 2009 B8R0.19 CCC(C)CC(=O)NC 1626a_100102657272_100000708755 [0,1,0,0,0,0|2,0,0]=3 2010 B8R0.19 CCC(C)CC(=O)NC 240690a_100102657272_100000708755 [0,1,0,0,0,0|2,0,0]=3 2011 B8R0.19 CCC(C)CC(=O)NC 527a_100102657272_100000708755 [0,1,0,0,0,0|2,0,0]=3 2012 B8R0.19 CCC(C)NC(=O)NC 2708a_100000209981_106832991635 [0,1,0,0,0,0|3,0,0]=4 2013 B8R0.19 CCC(C)NC(=O)NC 2708a_100102657272_100000209981 [0,1,0,0,0,0|3,0,0]=4 2014 B8R0.19 CCC(C)NC(=O)NC 273464a_100000209981_100102657272 [0,1,0,0,0,0|3,0,0]=4 2015 B8R0.19 CCC(C)NC(=O)NC 273464a_100102657272_100000209981 [0,1,0,0,0,0|3,0,0]=4 2016 B8R0.19 CCC(C)NC(=O)NC 512a_100000209981_100102657272 [0,1,0,0,0,0|3,0,0]=4 2017 B8R0.19 CCC(C)NC(=O)NC 512a_106832991638_100000209981 [0,1,0,0,0,0|3,0,0]=4 2018 B8R0.19 CCC(O)CC(=O)CF 1458a_100011667805_100015361967 [0,1,0,0,0,0|3,0,0]=4 2019 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [0,1,0,0,0,0|3,0,0]=4 2020 B8R0.19 CCC(O)CC(=O)NC 1626a_100102657272_100011667805 [0,1,0,0,0,0|2,0,0]=3 2021 B8R0.19 CCC(O)CC(=O)NC 240690a_100102657272_100011667805 [0,1,0,0,0,0|2,0,0]=3 2022 B8R0.19 CCN(C)CC(=O)NC 2230a_100000189611_100000210202 [0,1,0,0,0,0|3,0,0]=4 2023 B8R0.19 CCN(C)CC(=O)NC 2230a_100000225621_100000183359 [0,1,0,0,0,0|3,0,0]=4 2024 B8R0.19 CCN(C)CC(=O)NC 240690a_100102657272_100116209913 [0,1,0,0,0,0|3,0,0]=4 2025 B8R0.19 CCN(C)CC(=O)NC 269982a_100000225621_100000183359 [0,1,0,0,0,0|3,0,0]=4 2026 B8R0.19 CCN(C)CC(=O)NC 527a_100102657272_100116209913 [0,1,0,0,0,0|3,0,0]=4 2027 B8R0.19 CCN(C)CC(=O)OC 2230a_100000198492_100000210202 [0,1,0,0,0,0|2,0,0]=3 2028 B8R0.19 CCN(C)CC(=O)OC 2230a_100000225621_100000747449 [0,1,0,0,0,0|2,0,0]=3 2029 B8R0.19 CCN(C)CC(=O)OC 269982a_100000225621_100000747449 [0,1,0,0,0,0|2,0,0]=3 2030 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [0,1,0,0,0,0|3,0,0]=4 2031 B8R0.19 CNC(=O)CC(=O)OC 240690a_100102657272_100000211351 [0,1,0,0,0,0|1,0,1]=3 2032 B8R0.19 CNC(C)CC(=O)OC 2230a_106832991635_100009817358 [0,1,0,0,0,0|1,0,0]=2 2033 B8R0.19 CNC(C)CC(=O)OC 34a_100102657272_100009817358 [0,1,0,0,0,0|1,0,0]=2 2034 B8R0.19 CNC(C)CC(=O)OC 7a_106832991635_100009817358 [0,1,0,0,0,0|1,0,0]=2 2035 B8R0.19 COC(=O)CC(=O)CF 1458a_100000211351_100015361967 [0,1,0,0,0,0|2,0,1]=4 2036 B8R0.19 COC(=O)CC(=O)CO 1458a_100000210174_100000747449 [0,1,0,0,0,0|2,0,1]=4 2037 B8R0.19 COC(=O)CC(C)OC 34a_100138415774_100009817358 [0,1,0,0,0,0|0,1,0]=2 2038 B8R0.19 COC(=O)CC(C)SC 62a_100009817358_200000210301 [0,1,0,0,0,0|0,0,0]=1 2039 B8R0.19 COC(=O)CC(C)SC 62a_200000210301_100009817358 [0,1,0,0,0,0|0,0,0]=1 2040 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_100009817358_200025704644 [0,1,0,0,0,0|0,0,0]=1 2041 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_200025704644_100009817358 [0,1,0,0,0,0|0,0,0]=1 2042 B8R0.25 CCCCC(C)(C)OC 7a_100011219641_200000210301 [0,1,0,0,0,0|2,0,1]=4 2043 B8R0.25 CCCCC(C)(C)O[13CH3] 7a_100011219641_200025704644 [0,1,0,0,0,0|2,0,1]=4 2044 B8R0.25 CCCCS(=O)(=O)NC 270084a_100102657272_100000212082 [0,1,0,0,0,0|3,0,0]=4 2045 B8R0.25 CCCCS(=O)(=O)NC 274078a_100102657272_100000212082 [0,1,0,0,0,0|3,0,0]=4 2046 B8R0.25 CCCCS(=O)(=O)NC 40a_100102657272_100000054263 [0,1,0,0,0,0|3,0,0]=4 2047 B8R0.25 CCS(=O)(=O)CCNC 2230a_100000751051_200000210301 [0,1,0,0,0,0|3,0,0]=4 2048 B8R0.25 CCS(=O)(=O)CCNC 2230a_106832991635_100000756660 [0,1,0,0,0,0|3,0,0]=4 2049 B8R0.25 CCS(=O)(=O)CCNC 34a_100000751051_200000210301 [0,1,0,0,0,0|3,0,0]=4 2050 B8R0.25 CCS(=O)(=O)CCNC 34a_100102657272_100000756660 [0,1,0,0,0,0|3,0,0]=4 2051 B8R0.25 CCS(=O)(=O)CCNC 7a_106832991635_100000756660 [0,1,0,0,0,0|3,0,0]=4 2052 B8R0.25 CCS(=O)(=O)CCN[13CH3] 2230a_100000751051_200025704644 [0,1,0,0,0,0|3,0,0]=4 2053 B8R0.25 CCS(=O)(=O)CCN[13CH3] 34a_100000751051_200025704644 [0,1,0,0,0,0|3,0,0]=4 2054 B8R0.25 CCS(=O)(=O)CCOC 34a_100138415774_100000756660 [0,1,0,0,0,0|2,1,0]=4 2055 B8R0.25 CCS(=O)(=O)CCOC 34a_200011216379_200000210301 [0,1,0,0,0,0|2,1,0]=4 2056 B8R0.25 CCS(=O)(=O)CCOC 7a_200011216379_200000210301 [0,1,0,0,0,0|2,1,0]=4 2057 B8R0.25 CCS(=O)(=O)CCO[13CH3] 34a_200011216379_200025704644 [0,1,0,0,0,0|2,1,0]=4 2058 B8R0.25 CCS(=O)(=O)CCO[13CH3] 7a_200011216379_200025704644 [0,1,0,0,0,0|2,1,0]=4 2059 B8R0.25 CCS(=O)(=O)CCSC 62a_100000756660_200000210301 [0,1,0,0,0,0|2,0,0]=3 2060 B8R0.25 CCS(=O)(=O)CCSC 62a_200000210301_100000756660 [0,1,0,0,0,0|2,0,0]=3 2061 B8R0.25 CCS(=O)(=O)CCS[13CH3] 62a_100000756660_200025704644 [0,1,0,0,0,0|2,0,0]=3 2062 B8R0.25 CCS(=O)(=O)CCS[13CH3] 62a_200025704644_100000756660 [0,1,0,0,0,0|2,0,0]=3 2063 B8R0.25 CNCCS(=O)(=O)NC 2230a_100000710037_200000210301 [0,1,0,0,0,0|3,0,0]=4 2064 B8R0.25 CNCCS(=O)(=O)NC 34a_100000710037_200000210301 [0,1,0,0,0,0|3,0,0]=4 2065 B8R0.25 CNS(=O)(=O)CCN[13CH3] 2230a_100000710037_200025704644 [0,1,0,0,0,0|3,0,0]=4 2066 B8R0.25 CNS(=O)(=O)CCN[13CH3] 34a_100000710037_200025704644 [0,1,0,0,0,0|3,0,0]=4 2067 B8R0.25 CNS(=O)(=O)CCOC 270084a_100102657272_100000745348 [0,1,0,0,0,0|2,1,0]=4 2068 B8R0.25 CNS(=O)(=O)CCOC 274078a_100102657272_100000745348 [0,1,0,0,0,0|2,1,0]=4 2069 B8R0.25 COC(C)(C)CCO[13CH3] 7a_100000699976_200025704644 [0,1,0,0,0,0|1,1,1]=4 2070 B8R0.25 COCCC(C)(C)OC 7a_100000699976_200000210301 [0,1,0,0,0,0|1,1,1]=4 2071 B8R1.1 CC1CCC(C1)O[13CH3] 34a_100000698185_200025704644 [0,0,0,1,0,0|2,0,1]=4 2072 B8R1.1 CCN1CNC(=O)C1 2230a_200000708111_100000210202 [0,0,0,1,0,0|3,0,0]=4 2073 B8R1.1 CN1CCC(C1)S[13CH3] 62a_200025704644_200012183744 [0,0,0,1,0,0|3,0,0]=4 2074 B8R1.1 CNC1CNC(=O)C1 2230a_100000697751_200000210301 [0,0,0,1,0,0|2,0,0]=3 2075 B8R1.1 CNC1COC(=O)O1 34a_100102657272_100000032252 [0,0,0,1,0,0|2,0,0]=3 2076 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [0,0,0,1,0,0|1,1,0]=3 2077 B8R1.1 COC1CCC(C1)C 34a_100000698185_200000210301 [0,0,0,1,0,0|2,0,1]=4 2078 B8R1.1 COC1CNC(=O)C1 34a_100000690082_200000210301 [0,0,0,1,0,0|1,1,0]=3 2079 B8R1.1 COC1COC(=O)O1 34a_100138415774_100000032252 [0,0,0,1,0,0|1,1,0]=3 2080 B8R1.1 CO[C@@H]1CCN(C1)C 2230a_100000766984_200000210301 [0,0,0,1,0,0|2,0,1]=4 2081 B8R1.1 CO[C@@H]1CCN(C1)C 269982a_100000766984_200000210301 [0,0,0,1,0,0|2,0,1]=4 2082 B8R1.1 CO[C@@H]1CCN(C1)[13CH3] 2230a_100000766984_200025704644 [0,0,0,1,0,0|2,0,1]=4 2083 B8R1.1 CO[C@@H]1CCN(C1)[13CH3] 269982a_100000766984_200025704644 [0,0,0,1,0,0|2,0,1]=4 2084 B8R1.1 CSC1CCN(C1)C 62a_200000210301_200012183744 [0,0,0,1,0,0|3,0,0]=4 2085 B8R1.1 CSC1COC(=O)O1 62a_200000210301_100000032252 [0,0,0,1,0,0|1,0,0]=2 2086 B8R1.1 [13CH3]NC1CNC(=O)C1 2230a_100000697751_200025704644 [0,0,0,1,0,0|2,0,0]=3 2087 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [0,0,0,1,0,0|1,1,0]=3 2088 B8R1.1 [13CH3]OC1CNC(=O)C1 34a_100000690082_200025704644 [0,0,0,1,0,0|1,1,0]=3 2089 B8R1.1 [13CH3]SC1COC(=O)O1 62a_200025704644_100000032252 [0,0,0,1,0,0|1,0,0]=2 2090 B8R1.2 CCN1CCSCC1 2230a_100000737611_100000210202 [0,0,0,1,0,0|3,0,0]=4 2091 B8R1.2 CCN1CCSCC1 269982a_100000737611_100000204670 [0,0,0,1,0,0|3,0,0]=4 2092 B8R1.2 CNC1CCSCC1 2230a_100000748639_200000210301 [0,0,0,1,0,0|2,0,1]=4 2093 B8R1.2 CNC1CCSCC1 270004a_106832991635_100000203788 [0,0,0,1,0,0|2,0,1]=4 2094 B8R1.2 CNC1CCSCC1 34a_100000748639_200000210301 [0,0,0,1,0,0|2,0,1]=4 2095 B8R1.2 CNC1CCSCC1 34a_100102657272_100000069128 [0,0,0,1,0,0|2,0,1]=4 2096 B8R1.2 CNC1CCSCC1 7a_106832991635_100011500858 [0,0,0,1,0,0|2,0,1]=4 2097 B8R1.2 COC1CCCCC1 34a_100000210231_200000210301 [0,0,0,1,0,0|2,0,1]=4 2098 B8R1.2 COC1CCCCC1 34a_100138415774_100000210327 [0,0,0,1,0,0|2,0,1]=4 2099 B8R1.2 COC1CCCCC1 7a_100000210231_200000210301 [0,0,0,1,0,0|2,0,1]=4 2100 B8R1.2 COC1CCCCO1 34a_100000033831_200000210301 [0,0,0,1,0,0|1,0,2]=4 2101 B8R1.2 COC1CCOCC1 34a_100000744328_200000210301 [0,0,0,1,0,0|1,1,1]=4 2102 B8R1.2 COC1CCSCC1 34a_100000731022_200000210301 [0,0,0,1,0,0|1,0,1]=3 2103 B8R1.2 COC1CCSCC1 34a_100138415774_100000069128 [0,0,0,1,0,0|1,0,1]=3 2104 B8R1.2 COC1CCSCC1 7a_100000731022_200000210301 [0,0,0,1,0,0|1,0,1]=3 2105 B8R1.2 CSC1CCSCC1 62a_200000210301_100000069128 [0,0,0,1,0,0|1,1,1]=4 2106 B8R1.2 [13CH3]NC1CCSCC1 2230a_100000748639_200025704644 [0,0,0,1,0,0|2,0,1]=4 2107 B8R1.2 [13CH3]NC1CCSCC1 34a_100000748639_200025704644 [0,0,0,1,0,0|2,0,1]=4 2108 B8R1.2 [13CH3]OC1CCCCC1 34a_100000210231_200025704644 [0,0,0,1,0,0|2,0,1]=4 2109 B8R1.2 [13CH3]OC1CCCCC1 7a_100000210231_200025704644 [0,0,0,1,0,0|2,0,1]=4 2110 B8R1.2 [13CH3]OC1CCCCO1 34a_100000033831_200025704644 [0,0,0,1,0,0|1,0,2]=4 2111 B8R1.2 [13CH3]OC1CCOCC1 34a_100000744328_200025704644 [0,0,0,1,0,0|1,1,1]=4 2112 B8R1.2 [13CH3]OC1CCSCC1 34a_100000731022_200025704644 [0,0,0,1,0,0|1,0,1]=3 2113 B8R1.2 [13CH3]OC1CCSCC1 7a_100000731022_200025704644 [0,0,0,1,0,0|1,0,1]=3 2114 B8R1.2 [13CH3]SC1CCSCC1 62a_200025704644_100000069128 [0,0,0,1,0,0|1,1,1]=4 2115 B8R1.3 C=C1CCN(CC1)C 2230a_100000752442_200000210301 [0,0,0,1,0,0|3,0,0]=4 2116 B8R1.3 C=C1CCN(CC1)C 269982a_100000752442_200000210301 [0,0,0,1,0,0|3,0,0]=4 2117 B8R1.3 C=C1CCN(CC1)C 34a_100000752442_200000210301 [0,0,0,1,0,0|3,0,0]=4 2118 B8R1.3 C=C1CCN(CC1)[13CH3] 2230a_100000752442_200025704644 [0,0,0,1,0,0|3,0,0]=4 2119 B8R1.3 C=C1CCN(CC1)[13CH3] 269982a_100000752442_200025704644 [0,0,0,1,0,0|3,0,0]=4 2120 B8R1.3 C=C1CCN(CC1)[13CH3] 34a_100000752442_200025704644 [0,0,0,1,0,0|3,0,0]=4 2121 B8R1.3 CC1=CCN(CC1)C 2230a_100000693516_200000210301 [0,0,0,1,0,0|3,0,0]=4 2122 B8R1.3 CC1=CCN(CC1)C 269982a_100000693516_200000210301 [0,0,0,1,0,0|3,0,0]=4 2123 B8R1.3 CC1=CCN(CC1)C 34a_100000693516_200000210301 [0,0,0,1,0,0|3,0,0]=4 2124 B8R1.3 CC1=CCN(CC1)[13CH3] 2230a_100000693516_200025704644 [0,0,0,1,0,0|3,0,0]=4 2125 B8R1.3 CC1=CCN(CC1)[13CH3] 269982a_100000693516_200025704644 [0,0,0,1,0,0|3,0,0]=4 2126 B8R1.3 CC1=CCN(CC1)[13CH3] 34a_100000693516_200025704644 [0,0,0,1,0,0|3,0,0]=4 2127 B8R1.3 CN1CCS(=O)CC1 2230a_100000752083_200000210301 [0,0,0,1,0,0|3,0,0]=4 2128 B8R1.3 CN1CCS(=O)CC1 269982a_100000752083_200000210301 [0,0,0,1,0,0|3,0,0]=4 2129 B8R1.3 [13CH3]N1CCS(=O)CC1 2230a_100000752083_200025704644 [0,0,0,1,0,0|3,0,0]=4 2130 B8R1.3 [13CH3]N1CCS(=O)CC1 269982a_100000752083_200025704644 [0,0,0,1,0,0|3,0,0]=4 2131 B8R1.10 CSCCN1CCC1 269982a_100000754969_100000212216 [0,0,0,1,0,0|3,0,0]=4 2132 B8R1.13 CCOC1CCC1=O 34a_100121572206_100009892977 [0,0,0,1,0,0|3,0,0]=4 2133 B8R1.13 CCSC1CCC1=O 62a_100000210202_100009892977 [0,0,0,1,0,0|3,0,0]=4 2134 B8R1.13 CCSC1CCC1=O 62a_100009892977_100000210202 [0,0,0,1,0,0|3,0,0]=4 2135 B8R1.38 C#CC(=O)C1CCC1 1458a_100000211873_100000749161 [0,0,0,1,0,0|2,0,1]=4 2136 B8R1.38 C#CC(=O)C1COC1 1458a_100000211873_100000687716 [0,0,0,1,0,0|1,1,1]=4 2137 B8R1.38 C=CC(=O)C1CCC1 1458a_100000185746_100000749161 [0,0,0,1,0,0|2,0,1]=4 2138 B8R1.38 C=CC(=O)C1COC1 1458a_100000185746_100000687716 [0,0,0,1,0,0|1,1,1]=4 2139 B8R1.38 CC(O[13CH3])C1CCC1 34a_100000766398_200025704644 [0,0,0,1,0,0|2,0,1]=4 2140 B8R1.38 CC(O[13CH3])C1CCC1 7a_100000766398_200025704644 [0,0,0,1,0,0|2,0,1]=4 2141 B8R1.38 CCC(=O)C1CCC1 1458a_100000209988_100000210202 [0,0,0,1,0,0|2,0,0]=3 2142 B8R1.38 CCC(=O)C1CCC1 1458a_100000210414_100000749161 [0,0,0,1,0,0|2,0,0]=3 2143 B8R1.38 CCC(=O)C1CCO1 1458a_100000089072_100000210202 [0,0,0,1,0,0|3,0,0]=4 2144 B8R1.38 CCC(=O)C1COC1 1458a_100000210414_100000687716 [0,0,0,1,0,0|1,1,0]=3 2145 B8R1.38 CCC(=O)C1COC1 1458a_100000758290_100000210202 [0,0,0,1,0,0|1,1,0]=3 2146 B8R1.38 CCC(=O)N1CCC1 11a_100000754969_100000210414 [0,0,0,1,0,0|3,0,0]=4 2147 B8R1.38 CCC(=O)N1CCC1 240690a_100000754969_100000210414 [0,0,0,1,0,0|3,0,0]=4 2148 B8R1.38 CCC(=O)N1CCC1 527a_100000754969_100000210414 [0,0,0,1,0,0|3,0,0]=4 2149 B8R1.38 CNC(=O)C1CCC1 11a_106832991635_100000209988 [0,0,0,1,0,0|2,0,0]=3 2150 B8R1.38 CNC(=O)C1CCC1 1626a_100102657272_100000209988 [0,0,0,1,0,0|2,0,0]=3 2151 B8R1.38 CNC(=O)C1CCC1 240690a_100102657272_100000209988 [0,0,0,1,0,0|2,0,0]=3 2152 B8R1.38 CNC(=O)C1CCC1 527a_100102657272_100000209988 [0,0,0,1,0,0|2,0,0]=3 2153 B8R1.38 CNC(=O)C1CCO1 11a_106832991635_100000089072 [0,0,0,1,0,0|3,0,0]=4 2154 B8R1.38 CNC(=O)C1CCO1 1626a_100102657272_100000089072 [0,0,0,1,0,0|3,0,0]=4 2155 B8R1.38 CNC(=O)C1CCO1 240690a_100102657272_100000089072 [0,0,0,1,0,0|3,0,0]=4 2156 B8R1.38 CNC(=O)C1CCO1 527a_100102657272_100000089072 [0,0,0,1,0,0|3,0,0]=4 2157 B8R1.38 CNC(=O)C1COC1 11a_106832991635_100000758290 [0,0,0,1,0,0|1,1,0]=3 2158 B8R1.38 CNC(=O)C1COC1 1626a_100102657272_100000758290 [0,0,0,1,0,0|1,1,0]=3 2159 B8R1.38 CNC(=O)C1COC1 240690a_100102657272_100000758290 [0,0,0,1,0,0|1,1,0]=3 2160 B8R1.38 CNC(=O)C1COC1 527a_100102657272_100000758290 [0,0,0,1,0,0|1,1,0]=3 2161 B8R1.38 CNC(=O)N1CCC1 2708a_100102657272_100000754969 [0,0,0,1,0,0|3,0,0]=4 2162 B8R1.38 CNC(=O)N1CCC1 273464a_100102657272_100000754969 [0,0,0,1,0,0|3,0,0]=4 2163 B8R1.38 COC(C)C1CCC1 34a_100000766398_200000210301 [0,0,0,1,0,0|2,0,1]=4 2164 B8R1.38 COC(C)C1CCC1 7a_100000766398_200000210301 [0,0,0,1,0,0|2,0,1]=4 2165 B8R1.38 O=C(CF)C1CCC1 1458a_100000209988_100015361967 [0,0,0,1,0,0|3,0,0]=4 2166 B8R1.38 O=C(CF)C1COC1 1458a_100000758290_100015361967 [0,0,0,1,0,0|2,1,0]=4 2167 B8R1.38 O=C(CO)C1CCC1 1458a_100000210174_100000749161 [0,0,0,1,0,0|3,0,0]=4 2168 B8R1.38 O=C(CO)C1COC1 1458a_100000210174_100000687716 [0,0,0,1,0,0|2,1,0]=4 2169 B8R1.40 C#CC(=O)CC1CC1 1458a_100000211873_100000742324 [0,0,0,1,0,0|2,0,1]=4 2170 B8R1.40 C#CC(=O)CC1CO1 1458a_100000211873_100011216344 [0,0,0,1,0,0|1,1,1]=4 2171 B8R1.40 C#CC(=O)CC1CS1 1458a_100000211873_100000031435 [0,0,0,1,0,0|1,0,1]=3 2172 B8R1.40 C#CC(=O)C[C@@H]1CO1 1458a_100000211873_100000745022 [0,0,0,1,0,0|1,1,1]=4 2173 B8R1.40 C=CC(=O)CC1CC1 1458a_100000185746_100000742324 [0,0,0,1,0,0|2,0,1]=4 2174 B8R1.40 C=CC(=O)CC1CO1 1458a_100000185746_100011216344 [0,0,0,1,0,0|1,1,1]=4 2175 B8R1.40 C=CC(=O)CC1CS1 1458a_100000185746_100000031435 [0,0,0,1,0,0|1,0,1]=3 2176 B8R1.40 C=CC(=O)C[C@@H]1CO1 1458a_100000185746_100000745022 [0,0,0,1,0,0|1,1,1]=4 2177 B8R1.40 CCC(=O)CC1CC1 1458a_100000210414_100000742324 [0,0,0,1,0,0|2,0,0]=3 2178 B8R1.40 CCC(=O)CC1CC1 1458a_100000738066_100000210202 [0,0,0,1,0,0|2,0,0]=3 2179 B8R1.40 CCC(=O)CC1CO1 1458a_100000210414_100011216344 [0,0,0,1,0,0|1,1,0]=3 2180 B8R1.40 CCC(=O)CC1CS1 1458a_100000210414_100000031435 [0,0,0,1,0,0|1,0,0]=2 2181 B8R1.40 CCC(=O)C[C@@H]1CO1 1458a_100000210414_100000745022 [0,0,0,1,0,0|1,1,0]=3 2182 B8R1.40 CCC(=O)NC1CC1 1626a_100000212008_100000210414 [0,0,0,1,0,0|3,0,0]=4 2183 B8R1.40 CCC(=O)NC1CC1 240690a_100000212008_100000210414 [0,0,0,1,0,0|3,0,0]=4 2184 B8R1.40 CCC(=O)NC1CC1 527a_100000212008_100000210414 [0,0,0,1,0,0|3,0,0]=4 2185 B8R1.40 CCN(C)CC1CS1 269982a_100000225621_100000031435 [0,0,0,1,0,0|3,0,0]=4 2186 B8R1.40 CNC(=O)CC1CC1 11a_106832991635_100000738066 [0,0,0,1,0,0|2,0,0]=3 2187 B8R1.40 CNC(=O)CC1CC1 1626a_100102657272_100000738066 [0,0,0,1,0,0|2,0,0]=3 2188 B8R1.40 CNC(=O)CC1CC1 240690a_100102657272_100000738066 [0,0,0,1,0,0|2,0,0]=3 2189 B8R1.40 CNC(=O)CC1CC1 527a_100102657272_100000738066 [0,0,0,1,0,0|2,0,0]=3 2190 B8R1.40 CNC(=O)NC1CC1 2708a_100000212008_106832991635 [0,0,0,1,0,0|3,0,0]=4 2191 B8R1.40 CNC(=O)NC1CC1 2708a_100102657272_100000212008 [0,0,0,1,0,0|3,0,0]=4 2192 B8R1.40 CNC(=O)NC1CC1 273464a_100000212008_100102657272 [0,0,0,1,0,0|3,0,0]=4 2193 B8R1.40 CNC(=O)NC1CC1 273464a_100102657272_100000212008 [0,0,0,1,0,0|3,0,0]=4 2194 B8R1.40 CNC(=O)NC1CC1 512a_100000212008_100102657272 [0,0,0,1,0,0|3,0,0]=4 2195 B8R1.40 O=C(CF)CC1CC1 1458a_100000738066_100015361967 [0,0,0,1,0,0|3,0,0]=4 2196 B8R1.40 O=C(CO)CC1CC1 1458a_100000210174_100000742324 [0,0,0,1,0,0|3,0,0]=4 2197 B8R1.40 O=C(CO)CC1CO1 1458a_100000210174_100011216344 [0,0,0,1,0,0|2,1,0]=4 2198 B8R1.40 O=C(CO)CC1CS1 1458a_100000210174_100000031435 [0,0,0,1,0,0|2,0,0]=3 2199 B8R1.40 O=C(CO)C[C@@H]1CO1 1458a_100000210174_100000745022 [0,0,0,1,0,0|2,1,0]=4 2200 B8R1.47 CCN1CC(C1)SC 269982a_100016990038_100000204670 [0,0,0,1,0,0|3,0,0]=4 2201 B8R1.47 CN[C@H]1C[C@@H](C1)OC 2230a_100121570643_200000210301 [0,0,0,1,0,0|2,0,1]=4 2202 B8R1.47 CO[C@H]1C[C@@H](C1)N[13CH3] 2230a_100121570643_200025704644 [0,0,0,1,0,0|2,0,1]=4 2203 B8R1.52 CC1(CCCC1)O[13CH3] 34a_100000751722_200025704644 [0,0,0,1,0,0|2,0,1]=4 2204 B8R1.52 CC1(CCCC1)O[13CH3] 7a_100000751722_200025704644 [0,0,0,1,0,0|2,0,1]=4 2205 B8R1.52 COC1(CCCC1)C 34a_100000751722_200000210301 [0,0,0,1,0,0|2,0,1]=4 2206 B8R1.52 COC1(CCCC1)C 7a_100000751722_200000210301 [0,0,0,1,0,0|2,0,1]=4 2207 B8R1.83 CC1CC1C(=O)CF 1458a_100000211227_100015361967 [0,0,0,1,0,0|3,0,0]=4 2208 B8R1.83 CCC(=O)C1CC1C 1458a_100000211227_100000210202 [0,0,0,1,0,0|2,0,0]=3 2209 B8R1.83 CCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210202 [0,0,0,1,0,0|3,0,0]=4 2210 B8R1.83 CNC(=O)C1CC1C 11a_106832991635_100000211227 [0,0,0,1,0,0|2,0,0]=3 2211 B8R1.83 CNC(=O)C1CC1C 1626a_100102657272_100000211227 [0,0,0,1,0,0|2,0,0]=3 2212 B8R1.83 CNC(=O)C1CC1C 527a_100102657272_100000211227 [0,0,0,1,0,0|2,0,0]=3 2213 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 11a_106832991635_100015396687 [0,0,0,1,0,0|3,0,0]=4 2214 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 240690a_100102657272_100015396687 [0,0,0,1,0,0|3,0,0]=4 2215 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 527a_100102657272_100015396687 [0,0,0,1,0,0|3,0,0]=4 2216 B8R1.83 COC(=O)C1CN1C 2230a_200009830135_200000210301 [0,0,0,1,0,0|1,0,0]=2 2217 B8R1.83 COC(=O)C1CN1[13CH3] 2230a_200009830135_200025704644 [0,0,0,1,0,0|1,0,0]=2 2218 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [2,0,0,0,0,0|0,0,2]=4 2219 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [2,0,0,0,0,0|0,0,2]=4 2220 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [2,0,0,0,0,0|0,0,2]=4 2221 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [2,0,0,0,0,0|2,0,0]=4 2222 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [2,0,0,0,0,0|2,0,0]=4 2223 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [2,0,0,0,0,0|2,0,0]=4 2224 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [2,0,0,0,0,0|1,1,0]=4 2225 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [2,0,0,0,0,0|1,1,0]=4 2226 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [2,0,0,0,0,0|1,1,0]=4 2227 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [2,0,0,0,0,0|1,0,0]=3 2228 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [2,0,0,0,0,0|1,0,0]=3 2229 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [2,0,0,0,0,0|1,0,0]=3 2230 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [2,0,0,0,0,0|1,0,0]=3 2231 B5R0.1 C=C(F)CSC 62a_100000042424_200000210301 [2,0,0,0,0,0|1,0,1]=4 2232 B5R0.1 C=C(F)CSC 62a_200000210301_100000042424 [2,0,0,0,0,0|1,0,1]=4 2233 B5R0.1 C=C(F)CS[13CH3] 62a_100000042424_200025704644 [2,0,0,0,0,0|1,0,1]=4 2234 B5R0.1 C=C(F)CS[13CH3] 62a_200025704644_100000042424 [2,0,0,0,0,0|1,0,1]=4 2235 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [2,0,0,0,0,0|0,0,2]=4 2236 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [2,0,0,0,0,0|0,0,2]=4 2237 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [2,0,0,0,0,0|0,0,2]=4 2238 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [2,0,0,0,0,0|0,0,2]=4 2239 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [2,0,0,0,0,0|0,0,2]=4 2240 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [2,0,0,0,0,0|1,0,1]=4 2241 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [2,0,0,0,0,0|1,0,1]=4 2242 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [2,0,0,0,0,0|1,0,0]=3 2243 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [2,0,0,0,0,0|0,1,0]=3 2244 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [2,0,0,0,0,0|0,1,0]=3 2245 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [2,0,0,0,0,0|0,1,0]=3 2246 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [2,0,0,0,0,0|1,0,1]=4 2247 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [2,0,0,0,0,0|1,0,1]=4 2248 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [2,0,0,0,0,0|0,0,2]=4 2249 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [2,0,0,0,0,0|0,0,2]=4 2250 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [2,0,0,0,0,0|0,0,2]=4 2251 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [2,0,0,0,0,0|0,0,2]=4 2252 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [2,0,0,0,0,0|0,0,0]=2 2253 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [2,0,0,0,0,0|0,0,0]=2 2254 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [2,0,0,0,0,0|0,0,0]=2 2255 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [2,0,0,0,0,0|2,0,0]=4 2256 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [2,0,0,0,0,0|2,0,0]=4 2257 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [2,0,0,0,0,0|2,0,0]=4 2258 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [2,0,0,0,0,0|2,0,0]=4 2259 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [2,0,0,0,0,0|2,0,0]=4 2260 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [2,0,0,0,0,0|2,0,0]=4 2261 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [2,0,0,0,0,0|1,0,0]=3 2262 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [2,0,0,0,0,0|1,0,0]=3 2263 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [2,0,0,0,0,0|1,0,0]=3 2264 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [2,0,0,0,0,0|2,0,0]=4 2265 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [2,0,0,0,0,0|2,0,0]=4 2266 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [2,0,0,0,0,0|2,0,0]=4 2267 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [2,0,0,0,0,0|2,0,0]=4 2268 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [2,0,0,0,0,0|1,0,0]=3 2269 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [2,0,0,0,0,0|1,0,1]=4 2270 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [2,0,0,0,0,0|2,0,0]=4 2271 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [2,0,0,0,0,0|0,1,0]=3 2272 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [2,0,0,0,0,0|0,1,0]=3 2273 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [2,0,0,0,0,0|1,1,0]=4 2274 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [2,0,0,0,0,0|0,1,0]=3 2275 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [2,0,0,0,0,0|0,1,1]=4 2276 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [2,0,0,0,0,0|0,0,0]=2 2277 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [2,0,0,0,0,0|1,0,0]=3 2278 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [2,0,0,0,0,0|1,0,0]=3 2279 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [2,0,0,0,0,0|0,0,0]=2 2280 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [2,0,0,0,0,0|0,0,1]=3 2281 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [2,0,0,0,0,0|0,0,1]=3 2282 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [2,0,0,0,0,0|1,0,1]=4 2283 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [2,0,0,0,0,0|1,0,1]=4 2284 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [2,0,0,0,0,0|0,0,2]=4 2285 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [2,0,0,0,0,0|0,0,2]=4 2286 B5R0.1 CSCN(C)C 2230a_100102631434_100011218213 [2,0,0,0,0,0|2,0,0]=4 2287 B5R0.1 CSCN(C)C 269982a_100102631434_100011218213 [2,0,0,0,0,0|2,0,0]=4 2288 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [2,0,0,0,0,0|0,0,2]=4 2289 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [2,0,0,0,0,0|0,0,2]=4 2290 B5R0.1 CSC[N+](=O)[O-] 62a_200000210301_100000761209 [2,0,0,0,0,0|1,0,1]=4 2291 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [2,0,0,0,0,0|0,0,2]=4 2292 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [2,0,0,0,0,0|0,0,2]=4 2293 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [2,0,0,0,0,0|1,0,1]=4 2294 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [2,0,0,0,0,0|0,1,0]=3 2295 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [2,0,0,0,0,0|2,0,0]=4 2296 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [2,0,0,0,0,0|1,0,0]=3 2297 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [2,0,0,0,0,0|1,0,0]=3 2298 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [2,0,0,0,0,0|1,0,0]=3 2299 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [2,0,0,0,0,0|0,0,1]=3 2300 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [2,0,0,0,0,0|0,0,1]=3 2301 B5R0.1 [13CH3]SC[N+](=O)[O-] 62a_200025704644_100000761209 [2,0,0,0,0,0|1,0,1]=4 2302 B5R0.2 C#CCCOC 34a_100011215631_200000210301 [2,0,0,0,0,0|1,0,1]=4 2303 B5R0.2 C#CCCOC 34a_100138415774_100000688953 [2,0,0,0,0,0|1,0,1]=4 2304 B5R0.2 C#CCCO[13CH3] 34a_100011215631_200025704644 [2,0,0,0,0,0|1,0,1]=4 2305 B5R0.2 C#CCCSC 62a_100000688953_200000210301 [2,0,0,0,0,0|0,0,2]=4 2306 B5R0.2 C#CCCSC 62a_200000210301_100000688953 [2,0,0,0,0,0|0,0,2]=4 2307 B5R0.2 C#CCCS[13CH3] 62a_100000688953_200025704644 [2,0,0,0,0,0|0,0,2]=4 2308 B5R0.2 C#CCCS[13CH3] 62a_200025704644_100000688953 [2,0,0,0,0,0|0,0,2]=4 2309 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [2,0,0,0,0,0|1,0,1]=4 2310 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [2,0,0,0,0,0|1,0,1]=4 2311 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [2,0,0,0,0,0|0,1,1]=4 2312 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [2,0,0,0,0,0|0,1,1]=4 2313 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [2,0,0,0,0,0|0,1,1]=4 2314 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [2,0,0,0,0,0|0,0,1]=3 2315 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [2,0,0,0,0,0|0,0,1]=3 2316 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [2,0,0,0,0,0|0,0,1]=3 2317 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [2,0,0,0,0,0|0,0,1]=3 2318 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [2,0,0,0,0,0|1,0,1]=4 2319 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [2,0,0,0,0,0|1,0,1]=4 2320 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [2,0,0,0,0,0|1,0,1]=4 2321 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [2,0,0,0,0,0|1,0,1]=4 2322 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [2,0,0,0,0,0|1,0,1]=4 2323 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [2,0,0,0,0,0|0,1,1]=4 2324 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [2,0,0,0,0,0|0,1,1]=4 2325 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [2,0,0,0,0,0|0,1,1]=4 2326 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [2,0,0,0,0,0|0,0,1]=3 2327 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [2,0,0,0,0,0|0,0,1]=3 2328 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [2,0,0,0,0,0|0,0,1]=3 2329 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [2,0,0,0,0,0|0,0,1]=3 2330 B5R0.2 CC#CCOC 34a_100000761923_200000210301 [2,0,0,0,0,0|1,0,1]=4 2331 B5R0.2 CC#CCOC 34a_100138415774_100000748600 [2,0,0,0,0,0|1,0,1]=4 2332 B5R0.2 CC#CCO[13CH3] 34a_100000761923_200025704644 [2,0,0,0,0,0|1,0,1]=4 2333 B5R0.2 CC#CCSC 62a_100000748600_200000210301 [2,0,0,0,0,0|0,0,2]=4 2334 B5R0.2 CC#CCSC 62a_200000210301_100000748600 [2,0,0,0,0,0|0,0,2]=4 2335 B5R0.2 CC#CCS[13CH3] 62a_100000748600_200025704644 [2,0,0,0,0,0|0,0,2]=4 2336 B5R0.2 CC#CCS[13CH3] 62a_200025704644_100000748600 [2,0,0,0,0,0|0,0,2]=4 2337 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [2,0,0,0,0,0|1,0,1]=4 2338 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [2,0,0,0,0,0|1,0,1]=4 2339 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [2,0,0,0,0,0|1,0,1]=4 2340 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [2,0,0,0,0,0|0,1,1]=4 2341 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [2,0,0,0,0,0|0,0,1]=3 2342 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [2,0,0,0,0,0|0,0,1]=3 2343 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [2,0,0,0,0,0|0,0,1]=3 2344 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [2,0,0,0,0,0|0,0,1]=3 2345 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [2,0,0,0,0,0|1,0,1]=4 2346 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [2,0,0,0,0,0|1,0,1]=4 2347 B5R0.2 CCCCNC 34a_100102657272_100000210210 [2,0,0,0,0,0|1,0,1]=4 2348 B5R0.2 CCCCNC 7a_106832991635_100000210211 [2,0,0,0,0,0|1,0,1]=4 2349 B5R0.2 CCCCNC 7a_106832991798_200000210301 [2,0,0,0,0,0|1,0,1]=4 2350 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [2,0,0,0,0,0|1,0,1]=4 2351 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [2,0,0,0,0,0|1,0,1]=4 2352 B5R0.2 CCCCOC 34a_100000210227_200000210301 [2,0,0,0,0,0|0,0,1]=3 2353 B5R0.2 CCCCOC 34a_100138415774_100000210210 [2,0,0,0,0,0|0,0,1]=3 2354 B5R0.2 CCCCOC 7a_100000210227_200000210301 [2,0,0,0,0,0|0,0,1]=3 2355 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [2,0,0,0,0,0|0,0,1]=3 2356 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [2,0,0,0,0,0|0,0,1]=3 2357 B5R0.2 CCCCSC 62a_100000210211_200000210301 [2,0,0,0,0,0|0,0,1]=3 2358 B5R0.2 CCCCSC 62a_200000210301_100000210210 [2,0,0,0,0,0|0,0,1]=3 2359 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [2,0,0,0,0,0|0,0,1]=3 2360 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [2,0,0,0,0,0|0,0,1]=3 2361 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [2,0,0,0,0,0|2,0,0]=4 2362 B5R0.2 CCCOCC 34a_100000210258_100000210202 [2,0,0,0,0,0|2,0,0]=4 2363 B5R0.2 CCCOCC 34a_100121572206_100000210303 [2,0,0,0,0,0|2,0,0]=4 2364 B5R0.2 CCCSCC 62a_100000210202_100000210303 [2,0,0,0,0,0|2,0,0]=4 2365 B5R0.2 CCCSCC 62a_100000210303_100000210202 [2,0,0,0,0,0|2,0,0]=4 2366 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [2,0,0,0,0,0|2,0,0]=4 2367 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [2,0,0,0,0,0|1,0,1]=4 2368 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [2,0,0,0,0,0|1,0,1]=4 2369 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [2,0,0,0,0,0|2,0,0]=4 2370 B5R0.2 CCOCSC 34a_100121572206_100011218213 [2,0,0,0,0,0|1,0,1]=4 2371 B5R0.2 CCOCSC 62a_100000739092_200000210301 [2,0,0,0,0,0|1,0,1]=4 2372 B5R0.2 CCOCSC 62a_200000210301_100000739092 [2,0,0,0,0,0|1,0,1]=4 2373 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [2,0,0,0,0,0|1,0,1]=4 2374 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [2,0,0,0,0,0|1,0,1]=4 2375 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [2,0,0,0,0,0|2,0,0]=4 2376 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [2,0,0,0,0,0|2,0,0]=4 2377 B5R0.2 CCSCOC 62a_100000210202_100000766300 [2,0,0,0,0,0|1,0,1]=4 2378 B5R0.2 CCSCOC 62a_100000766300_100000210202 [2,0,0,0,0,0|1,0,1]=4 2379 B5R0.2 CCSCSC 62a_100000210202_100011218213 [2,0,0,0,0,0|1,0,1]=4 2380 B5R0.2 CCSCSC 62a_100011218213_100000210202 [2,0,0,0,0,0|1,0,1]=4 2381 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [2,0,0,0,0,0|1,0,1]=4 2382 B5R0.2 CNCCCO 34a_100102657272_100000230001 [2,0,0,0,0,0|1,0,1]=4 2383 B5R0.2 CNCCCO 7a_106832991635_100011215043 [2,0,0,0,0,0|1,0,1]=4 2384 B5R0.2 CNCCOC 2230a_100000209980_200000210301 [2,0,0,0,0,0|1,0,0]=3 2385 B5R0.2 CNCCOC 2230a_106832991635_100011201679 [2,0,0,0,0,0|1,0,0]=3 2386 B5R0.2 CNCCOC 34a_100102657272_100011201679 [2,0,0,0,0,0|1,0,0]=3 2387 B5R0.2 CNCCOC 7a_106832991635_100000233755 [2,0,0,0,0,0|1,0,0]=3 2388 B5R0.2 CNCCSC 2230a_100020590264_200000210301 [2,0,0,0,0,0|1,0,0]=3 2389 B5R0.2 CNCCSC 2230a_106832991635_100000751147 [2,0,0,0,0,0|1,0,0]=3 2390 B5R0.2 CNCCSC 34a_100102657272_100000212216 [2,0,0,0,0,0|1,0,0]=3 2391 B5R0.2 CNCCSC 7a_106832991635_100000212216 [2,0,0,0,0,0|1,0,0]=3 2392 B5R0.2 COCCCBr 34a_100011217188_200000210301 [2,0,0,0,0,0|1,0,1]=4 2393 B5R0.2 COCCCCl 34a_100000230001_200000210301 [2,0,0,0,0,0|1,0,1]=4 2394 B5R0.2 COCCCF 34a_100000759539_200000210301 [2,0,0,0,0,0|1,0,1]=4 2395 B5R0.2 COCCCF 34a_100138415774_100011934791 [2,0,0,0,0,0|1,0,1]=4 2396 B5R0.2 COCCCN 34a_100000182051_200000210301 [2,0,0,0,0,0|1,0,1]=4 2397 B5R0.2 COCCCO 34a_100138415774_100000230001 [2,0,0,0,0,0|0,1,1]=4 2398 B5R0.2 COCCN[13CH3] 2230a_100000209980_200025704644 [2,0,0,0,0,0|1,0,0]=3 2399 B5R0.2 COCCOC 34a_100000210237_200000210301 [2,0,0,0,0,0|0,1,0]=3 2400 B5R0.2 COCCOC 34a_100138415774_100011201679 [2,0,0,0,0,0|0,1,0]=3 2401 B5R0.2 COCCON 34a_100000700252_200000210301 [2,0,0,0,0,0|1,1,0]=4 2402 B5R0.2 COCCO[13CH3] 34a_100000210237_200025704644 [2,0,0,0,0,0|0,1,0]=3 2403 B5R0.2 COCCSC 34a_100000230434_200000210301 [2,0,0,0,0,0|0,0,0]=2 2404 B5R0.2 COCCSC 34a_100138415774_100000212216 [2,0,0,0,0,0|0,0,0]=2 2405 B5R0.2 COCCSC 62a_100000233755_200000210301 [2,0,0,0,0,0|0,0,0]=2 2406 B5R0.2 COCCSC 62a_200000210301_100000233755 [2,0,0,0,0,0|0,0,0]=2 2407 B5R0.2 COCCSC 7a_100000230434_200000210301 [2,0,0,0,0,0|0,0,0]=2 2408 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [2,0,0,0,0,0|0,0,0]=2 2409 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [2,0,0,0,0,0|0,0,0]=2 2410 B5R0.2 CSCCC#N 62a_100011215226_200000210301 [2,0,0,0,0,0|1,0,1]=4 2411 B5R0.2 CSCCC#N 62a_200000210301_100011215226 [2,0,0,0,0,0|1,0,1]=4 2412 B5R0.2 CSCCCF 62a_100011934791_200000210301 [2,0,0,0,0,0|1,0,1]=4 2413 B5R0.2 CSCCCF 62a_200000210301_100011934791 [2,0,0,0,0,0|1,0,1]=4 2414 B5R0.2 CSCCCO 62a_100011215043_200000210301 [2,0,0,0,0,0|0,0,1]=3 2415 B5R0.2 CSCCCO 62a_200000210301_100011215043 [2,0,0,0,0,0|0,0,1]=3 2416 B5R0.2 CSCCN[13CH3] 2230a_100020590264_200025704644 [2,0,0,0,0,0|1,0,0]=3 2417 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [2,0,0,0,0,0|0,0,0]=2 2418 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [2,0,0,0,0,0|0,0,0]=2 2419 B5R0.2 CSCCSC 62a_100000212216_200000210301 [2,0,0,0,0,0|0,1,0]=3 2420 B5R0.2 CSCCSC 62a_200000210301_100000751147 [2,0,0,0,0,0|0,1,0]=3 2421 B5R0.2 CSCCS[13CH3] 62a_100000212216_200025704644 [2,0,0,0,0,0|0,1,0]=3 2422 B5R0.2 CSCCS[13CH3] 62a_200025704644_100000751147 [2,0,0,0,0,0|0,1,0]=3 2423 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [2,0,0,0,0,0|1,0,1]=4 2424 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [2,0,0,0,0,0|1,0,1]=4 2425 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [2,0,0,0,0,0|1,0,1]=4 2426 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [2,0,0,0,0,0|1,0,1]=4 2427 B5R0.2 [13CH3]OCCON 34a_100000700252_200025704644 [2,0,0,0,0,0|1,1,0]=4 2428 B5R0.2 [13CH3]SCCC#N 62a_100011215226_200025704644 [2,0,0,0,0,0|1,0,1]=4 2429 B5R0.2 [13CH3]SCCC#N 62a_200025704644_100011215226 [2,0,0,0,0,0|1,0,1]=4 2430 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [2,0,0,0,0,0|1,0,1]=4 2431 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [2,0,0,0,0,0|1,0,1]=4 2432 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [2,0,0,0,0,0|0,0,1]=3 2433 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [2,0,0,0,0,0|0,0,1]=3 2434 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [2,0,0,0,0,0|1,0,1]=4 2435 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [2,0,0,0,0,0|1,0,1]=4 2436 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [2,0,0,0,0,0|1,0,0]=3 2437 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [2,0,0,0,0,0|2,0,0]=4 2438 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [2,0,0,0,0,0|1,1,0]=4 2439 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [2,0,0,0,0,0|1,0,0]=3 2440 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [2,0,0,0,0,0|1,0,0]=3 2441 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [2,0,0,0,0,0|1,0,0]=3 2442 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [2,0,0,0,0,0|1,0,0]=3 2443 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [2,0,0,0,0,0|1,0,1]=4 2444 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [2,0,0,0,0,0|1,0,1]=4 2445 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [2,0,0,0,0,0|1,0,1]=4 2446 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [2,0,0,0,0,0|1,1,0]=4 2447 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [2,0,0,0,0,0|1,1,0]=4 2448 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [2,0,0,0,0,0|2,0,0]=4 2449 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [2,0,0,0,0,0|2,0,0]=4 2450 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [2,0,0,0,0,0|2,0,0]=4 2451 B5R0.3 COC(C)SC 62a_100009879195_200000210301 [2,0,0,0,0,0|1,0,1]=4 2452 B5R0.3 COC(C)SC 62a_200000210301_100009879195 [2,0,0,0,0,0|1,0,1]=4 2453 B5R0.3 COC(C)S[13CH3] 62a_100009879195_200025704644 [2,0,0,0,0,0|1,0,1]=4 2454 B5R0.3 COC(C)S[13CH3] 62a_200025704644_100009879195 [2,0,0,0,0,0|1,0,1]=4 2455 B7R0.2 C#CC(=O)CC(C)C 1458a_100000211873_100000210624 [1,1,0,0,0,0|1,0,1]=4 2456 B7R0.2 C#CC(=O)CC(C)O 1458a_100000211873_100011218427 [1,1,0,0,0,0|1,0,1]=4 2457 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [1,1,0,0,0,0|1,0,1]=4 2458 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [1,1,0,0,0,0|1,0,1]=4 2459 B7R0.2 C=CC(=O)CC(C)O 1458a_100000185746_100011218427 [1,1,0,0,0,0|1,0,1]=4 2460 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [1,1,0,0,0,0|2,0,0]=4 2461 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [1,1,0,0,0,0|2,0,0]=4 2462 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [1,1,0,0,0,0|1,0,1]=4 2463 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [1,1,0,0,0,0|1,0,1]=4 2464 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [1,1,0,0,0,0|2,0,0]=4 2465 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [1,1,0,0,0,0|1,0,1]=4 2466 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [1,1,0,0,0,0|1,0,0]=3 2467 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [1,1,0,0,0,0|1,0,0]=3 2468 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [1,1,0,0,0,0|1,0,0]=3 2469 B7R0.2 CCC(=O)CC(F)F 1458a_100000210414_100011934356 [1,1,0,0,0,0|2,0,0]=4 2470 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [1,1,0,0,0,0|2,0,0]=4 2471 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [1,1,0,0,0,0|2,0,0]=4 2472 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [1,1,0,0,0,0|1,0,0]=3 2473 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [1,1,0,0,0,0|1,0,1]=4 2474 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [1,1,0,0,0,0|2,0,0]=4 2475 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [1,1,0,0,0,0|2,0,0]=4 2476 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [1,1,0,0,0,0|2,0,0]=4 2477 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [1,1,0,0,0,0|2,0,0]=4 2478 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [1,1,0,0,0,0|1,0,1]=4 2479 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [1,1,0,0,0,0|1,0,0]=3 2480 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [1,1,0,0,0,0|1,0,0]=3 2481 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [1,1,0,0,0,0|1,0,0]=3 2482 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [1,1,0,0,0,0|1,0,0]=3 2483 B7R0.2 CNC(=O)CN(C)C 11a_106832991635_100000750896 [1,1,0,0,0,0|2,0,0]=4 2484 B7R0.2 CNC(=O)CN(C)C 2230a_100000189611_200000210301 [1,1,0,0,0,0|2,0,0]=4 2485 B7R0.2 CNC(=O)CN(C)C 2230a_100102631434_100000183359 [1,1,0,0,0,0|2,0,0]=4 2486 B7R0.2 CNC(=O)CN(C)C 240690a_100102657272_100000750896 [1,1,0,0,0,0|2,0,0]=4 2487 B7R0.2 CNC(=O)CN(C)C 269982a_100102631434_100000183359 [1,1,0,0,0,0|2,0,0]=4 2488 B7R0.2 CNC(=O)CN(C)C 527a_100102657272_100000750896 [1,1,0,0,0,0|2,0,0]=4 2489 B7R0.2 CNC(=O)CN(C)[13CH3] 2230a_100000189611_200025704644 [1,1,0,0,0,0|2,0,0]=4 2490 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [1,1,0,0,0,0|1,0,0]=3 2491 B7R0.2 CNC(=O)C[S+](C)C 11a_106832991635_200159257847 [1,1,0,0,0,0|1,0,1]=4 2492 B7R0.2 CNC(=O)C[S+](C)C 1626a_100102657272_200159257847 [1,1,0,0,0,0|1,0,1]=4 2493 B7R0.2 CNC(=O)C[S+](C)C 240690a_100102657272_200159257847 [1,1,0,0,0,0|1,0,1]=4 2494 B7R0.2 CNC(=O)C[S+](C)C 527a_100102657272_200159257847 [1,1,0,0,0,0|1,0,1]=4 2495 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [1,1,0,0,0,0|2,0,0]=4 2496 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [1,1,0,0,0,0|2,0,0]=4 2497 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [1,1,0,0,0,0|2,0,0]=4 2498 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [1,1,0,0,0,0|2,0,0]=4 2499 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [1,1,0,0,0,0|2,0,0]=4 2500 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [1,1,0,0,0,0|0,0,1]=3 2501 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [1,1,0,0,0,0|0,0,1]=3 2502 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [1,1,0,0,0,0|0,0,1]=3 2503 B7R0.2 COC(=O)CN(C)C 2230a_100000198492_200000210301 [1,1,0,0,0,0|1,0,0]=3 2504 B7R0.2 COC(=O)CN(C)C 2230a_100102631434_100000747449 [1,1,0,0,0,0|1,0,0]=3 2505 B7R0.2 COC(=O)CN(C)C 269982a_100102631434_100000747449 [1,1,0,0,0,0|1,0,0]=3 2506 B7R0.2 COC(=O)CN(C)[13CH3] 2230a_100000198492_200025704644 [1,1,0,0,0,0|1,0,0]=3 2507 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [1,1,0,0,0,0|1,0,1]=4 2508 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [1,1,0,0,0,0|1,0,1]=4 2509 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [1,1,0,0,0,0|1,0,1]=4 2510 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [1,1,0,0,0,0|2,0,0]=4 2511 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [1,1,0,0,0,0|1,0,0]=3 2512 B7R0.5 C=C(C)C(=O)CCF 1458a_100000185857_100011217306 [1,1,0,0,0,0|2,0,0]=4 2513 B7R0.5 C=C(C)C(=O)CCO 1458a_100000185857_100000211926 [1,1,0,0,0,0|1,1,0]=4 2514 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [1,1,0,0,0,0|2,0,0]=4 2515 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [1,1,0,0,0,0|1,0,0]=3 2516 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [1,1,0,0,0,0|1,0,0]=3 2517 B7R0.5 CC(C)C(=O)CCF 1458a_100000210198_100011217306 [1,1,0,0,0,0|2,0,0]=4 2518 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [1,1,0,0,0,0|1,1,0]=4 2519 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [1,1,0,0,0,0|1,1,0]=4 2520 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [1,1,0,0,0,0|1,0,0]=3 2521 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [1,1,0,0,0,0|1,0,0]=3 2522 B7R0.5 CC(F)C(=O)CCF 1458a_100000062450_100011217306 [1,1,0,0,0,0|2,0,0]=4 2523 B7R0.5 CC(F)C(=O)CCO 1458a_100000062450_100000211926 [1,1,0,0,0,0|1,1,0]=4 2524 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [1,1,0,0,0,0|1,0,0]=3 2525 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [1,1,0,0,0,0|1,0,0]=3 2526 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [1,1,0,0,0,0|1,0,0]=3 2527 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [1,1,0,0,0,0|2,0,0]=4 2528 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [1,1,0,0,0,0|1,0,0]=3 2529 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [1,1,0,0,0,0|1,0,0]=3 2530 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [1,1,0,0,0,0|1,0,0]=3 2531 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [1,1,0,0,0,0|1,0,0]=3 2532 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [1,1,0,0,0,0|1,0,0]=3 2533 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [1,1,0,0,0,0|1,0,0]=3 2534 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [1,1,0,0,0,0|2,0,0]=4 2535 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [1,1,0,0,0,0|2,0,0]=4 2536 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [1,1,0,0,0,0|2,0,0]=4 2537 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [1,1,0,0,0,0|2,0,0]=4 2538 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [1,1,0,0,0,0|2,0,0]=4 2539 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [1,1,0,0,0,0|2,0,0]=4 2540 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [1,1,0,0,0,0|2,0,0]=4 2541 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [1,1,0,0,0,0|2,0,0]=4 2542 B7R0.5 CCNC(=O)N(C)C 2708a_100015525214_100102631434 [1,1,0,0,0,0|2,0,0]=4 2543 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [1,1,0,0,0,0|2,0,0]=4 2544 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [1,1,0,0,0,0|2,0,0]=4 2545 B7R0.5 CN(C)C(=O)CCO 240690a_100102631434_100011216618 [1,1,0,0,0,0|1,1,0]=4 2546 B7R0.5 CN(C)C(=O)CN[13CH3] 2230a_100015183351_200025704644 [1,1,0,0,0,0|2,0,0]=4 2547 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_100000692301_200025704644 [1,1,0,0,0,0|1,0,0]=3 2548 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_200025704644_100000692301 [1,1,0,0,0,0|1,0,0]=3 2549 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [1,1,0,0,0,0|2,0,0]=4 2550 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [1,1,0,0,0,0|2,0,0]=4 2551 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [1,1,0,0,0,0|2,0,0]=4 2552 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [1,1,0,0,0,0|2,0,0]=4 2553 B7R0.5 CNCC(=O)N(C)C 2230a_100015183351_200000210301 [1,1,0,0,0,0|2,0,0]=4 2554 B7R0.5 CNCC(=O)N(C)C 2230a_106832991635_100000185267 [1,1,0,0,0,0|2,0,0]=4 2555 B7R0.5 CNCC(=O)N(C)C 34a_100102657272_100000692301 [1,1,0,0,0,0|2,0,0]=4 2556 B7R0.5 CNCC(=O)N(C)C 7a_106832991635_100000692301 [1,1,0,0,0,0|2,0,0]=4 2557 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [1,1,0,0,0,0|1,1,0]=4 2558 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [1,1,0,0,0,0|1,1,0]=4 2559 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [1,1,0,0,0,0|1,1,0]=4 2560 B7R0.5 COCC(=O)N(C)C 11a_100102631434_100000210968 [1,1,0,0,0,0|1,1,0]=4 2561 B7R0.5 COCC(=O)N(C)C 1626a_100102631434_100000210968 [1,1,0,0,0,0|1,1,0]=4 2562 B7R0.5 COCC(=O)N(C)C 240690a_100102631434_100000210968 [1,1,0,0,0,0|1,1,0]=4 2563 B7R0.5 COCC(=O)N(C)C 34a_100138415774_100000692301 [1,1,0,0,0,0|1,1,0]=4 2564 B7R0.5 COCC(=O)N(C)C 527a_100102631434_100000210968 [1,1,0,0,0,0|1,1,0]=4 2565 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [1,1,0,0,0,0|1,0,0]=3 2566 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [1,1,0,0,0,0|1,0,0]=3 2567 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [1,1,0,0,0,0|1,0,0]=3 2568 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [1,1,0,0,0,0|1,0,0]=3 2569 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [1,1,0,0,0,0|1,0,0]=3 2570 B7R0.5 CSCC(=O)N(C)C 11a_100102631434_100000184570 [1,1,0,0,0,0|1,0,0]=3 2571 B7R0.5 CSCC(=O)N(C)C 1626a_100102631434_100000184570 [1,1,0,0,0,0|1,0,0]=3 2572 B7R0.5 CSCC(=O)N(C)C 240690a_100102631434_100000184570 [1,1,0,0,0,0|1,0,0]=3 2573 B7R0.5 CSCC(=O)N(C)C 527a_100102631434_100000184570 [1,1,0,0,0,0|1,0,0]=3 2574 B7R0.5 CSCC(=O)N(C)C 62a_100000692301_200000210301 [1,1,0,0,0,0|1,0,0]=3 2575 B7R0.5 CSCC(=O)N(C)C 62a_200000210301_100000692301 [1,1,0,0,0,0|1,0,0]=3 2576 B7R0.5 C[C@@H](O)C(=O)CCF 1458a_100000717761_100011217306 [1,1,0,0,0,0|2,0,0]=4 2577 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [1,1,0,0,0,0|1,1,0]=4 2578 B7R0.5 C[C@H](O)C(=O)CCF 1458a_217856618621_100011217306 [1,1,0,0,0,0|2,0,0]=4 2579 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [1,1,0,0,0,0|1,1,0]=4 2580 B7R0.7 C#CCC(=O)CCC 1458a_100000211992_100000184674 [1,1,0,0,0,0|1,0,1]=4 2581 B7R0.7 C#CCC(=O)CCC 1458a_100011220946_100000210303 [1,1,0,0,0,0|1,0,1]=4 2582 B7R0.7 C#CCC(=O)COC 1458a_100000210968_100000184674 [1,1,0,0,0,0|0,0,2]=4 2583 B7R0.7 C#CCC(=O)CSC 1458a_100000184570_100000184674 [1,1,0,0,0,0|1,0,1]=4 2584 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [1,1,0,0,0,0|1,0,1]=4 2585 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [1,1,0,0,0,0|1,0,1]=4 2586 B7R0.7 C=CCC(=O)COC 1458a_100000210968_100000210623 [1,1,0,0,0,0|0,0,2]=4 2587 B7R0.7 C=CCC(=O)CSC 1458a_100000184570_100000210623 [1,1,0,0,0,0|1,0,1]=4 2588 B7R0.7 C=COC(=O)CNC 2230a_106832991635_100000036128 [1,1,0,0,0,0|1,0,1]=4 2589 B7R0.7 C=COC(=O)CNC 34a_100102657272_100000036128 [1,1,0,0,0,0|1,0,1]=4 2590 B7R0.7 C=COC(=O)COC 34a_100138415774_100000036128 [1,1,0,0,0,0|0,1,1]=4 2591 B7R0.7 C=COC(=O)CSC 62a_100000036128_200000210301 [1,1,0,0,0,0|0,0,1]=3 2592 B7R0.7 C=COC(=O)CSC 62a_200000210301_100000036128 [1,1,0,0,0,0|0,0,1]=3 2593 B7R0.7 C=COC(=O)CS[13CH3] 62a_100000036128_200025704644 [1,1,0,0,0,0|0,0,1]=3 2594 B7R0.7 C=COC(=O)CS[13CH3] 62a_200025704644_100000036128 [1,1,0,0,0,0|0,0,1]=3 2595 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [1,1,0,0,0,0|1,0,0]=3 2596 B7R0.7 CC#CC(=O)CCF 1458a_100000763181_100011217306 [1,1,0,0,0,0|2,0,0]=4 2597 B7R0.7 CC#CC(=O)CCO 1458a_100000763181_100000211926 [1,1,0,0,0,0|1,1,0]=4 2598 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [1,1,0,0,0,0|1,0,0]=3 2599 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [1,1,0,0,0,0|2,0,0]=4 2600 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [1,1,0,0,0,0|1,1,0]=4 2601 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [1,1,0,0,0,0|2,0,0]=4 2602 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [1,1,0,0,0,0|2,0,0]=4 2603 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [1,1,0,0,0,0|1,0,1]=4 2604 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [1,1,0,0,0,0|1,0,1]=4 2605 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [1,1,0,0,0,0|1,0,1]=4 2606 B7R0.7 CCCC(=O)CC#N 1458a_100000211992_100011214920 [1,1,0,0,0,0|1,0,1]=4 2607 B7R0.7 CCCC(=O)CC#N 1458a_100051588842_100000210303 [1,1,0,0,0,0|1,0,1]=4 2608 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [1,1,0,0,0,0|1,0,0]=3 2609 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [1,1,0,0,0,0|1,0,0]=3 2610 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [1,1,0,0,0,0|1,0,0]=3 2611 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [1,1,0,0,0,0|1,0,0]=3 2612 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [1,1,0,0,0,0|1,0,0]=3 2613 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [1,1,0,0,0,0|1,0,0]=3 2614 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [1,1,0,0,0,0|0,0,0]=2 2615 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [1,1,0,0,0,0|0,1,0]=3 2616 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [1,1,0,0,0,0|0,1,0]=3 2617 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [1,1,0,0,0,0|0,1,0]=3 2618 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [1,1,0,0,0,0|0,1,0]=3 2619 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [1,1,0,0,0,0|0,1,0]=3 2620 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [1,1,0,0,0,0|1,0,0]=3 2621 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [1,1,0,0,0,0|1,0,0]=3 2622 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [1,1,0,0,0,0|1,0,0]=3 2623 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [1,1,0,0,0,0|1,0,0]=3 2624 B7R0.7 CCCC(C)COC 34a_100000688023_200000210301 [1,1,0,0,0,0|1,0,1]=4 2625 B7R0.7 CCCC(C)COC 34a_100138415774_100011216630 [1,1,0,0,0,0|1,0,1]=4 2626 B7R0.7 CCCC(C)COC 7a_100000688023_200000210301 [1,1,0,0,0,0|1,0,1]=4 2627 B7R0.7 CCCC(C)CO[13CH3] 34a_100000688023_200025704644 [1,1,0,0,0,0|1,0,1]=4 2628 B7R0.7 CCCC(C)CO[13CH3] 7a_100000688023_200025704644 [1,1,0,0,0,0|1,0,1]=4 2629 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [1,1,0,0,0,0|1,0,1]=4 2630 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [1,1,0,0,0,0|1,0,1]=4 2631 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [1,1,0,0,0,0|1,0,1]=4 2632 B7R0.7 CCCC(C)OCF 34a_100000764384_100015361967 [1,1,0,0,0,0|1,0,1]=4 2633 B7R0.7 CCCC(C)OCF 7a_100000764384_100015361967 [1,1,0,0,0,0|1,0,1]=4 2634 B7R0.7 CCCN(C)COC 2230a_100000747261_100000766300 [1,1,0,0,0,0|2,0,0]=4 2635 B7R0.7 CCCN(C)COC 269982a_100000747261_100000766300 [1,1,0,0,0,0|2,0,0]=4 2636 B7R0.7 CCC[C@H](N)COC 34a_100000732646_200000210301 [1,1,0,0,0,0|1,0,1]=4 2637 B7R0.7 CCC[C@H](N)CO[13CH3] 34a_100000732646_200025704644 [1,1,0,0,0,0|1,0,1]=4 2638 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [1,1,0,0,0,0|1,1,0]=4 2639 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [1,1,0,0,0,0|2,0,0]=4 2640 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [1,1,0,0,0,0|2,0,0]=4 2641 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [1,1,0,0,0,0|2,0,0]=4 2642 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [1,1,0,0,0,0|2,0,0]=4 2643 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [1,1,0,0,0,0|2,0,0]=4 2644 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [1,1,0,0,0,0|1,0,0]=3 2645 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [1,1,0,0,0,0|1,0,0]=3 2646 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [1,1,0,0,0,0|1,0,0]=3 2647 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [1,1,0,0,0,0|1,0,0]=3 2648 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [1,1,0,0,0,0|1,0,0]=3 2649 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [1,1,0,0,0,0|1,0,0]=3 2650 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [1,1,0,0,0,0|1,0,0]=3 2651 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [1,1,0,0,0,0|1,0,0]=3 2652 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [1,1,0,0,0,0|1,0,0]=3 2653 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [1,1,0,0,0,0|1,0,0]=3 2654 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [1,1,0,0,0,0|1,0,0]=3 2655 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [1,1,0,0,0,0|2,0,0]=4 2656 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [1,1,0,0,0,0|2,0,0]=4 2657 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [1,1,0,0,0,0|2,0,0]=4 2658 B7R0.7 CCNC(=O)NNC 273464a_100015525214_100016993582 [1,1,0,0,0,0|2,0,0]=4 2659 B7R0.7 CCNC(=O)NNC 512a_100015525214_100016993582 [1,1,0,0,0,0|2,0,0]=4 2660 B7R0.7 CCNC(=O)NNC 512a_100016993582_100015525214 [1,1,0,0,0,0|2,0,0]=4 2661 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [1,1,0,0,0,0|1,0,0]=3 2662 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [1,1,0,0,0,0|1,0,0]=3 2663 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [1,1,0,0,0,0|1,0,0]=3 2664 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [1,1,0,0,0,0|0,1,0]=3 2665 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [1,1,0,0,0,0|0,0,0]=2 2666 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [1,1,0,0,0,0|0,0,0]=2 2667 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [1,1,0,0,0,0|0,0,0]=2 2668 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [1,1,0,0,0,0|0,0,0]=2 2669 B7R0.7 CNCC(=O)NCO 2230a_106832991635_100000185155 [1,1,0,0,0,0|2,0,0]=4 2670 B7R0.7 CNCC(=O)NCO 34a_100102657272_100000185155 [1,1,0,0,0,0|2,0,0]=4 2671 B7R0.7 CNCC(=O)NCO 7a_106832991635_100000185155 [1,1,0,0,0,0|2,0,0]=4 2672 B7R0.7 CNNC(=O)CCO 22a_100016993582_100011216618 [1,1,0,0,0,0|1,1,0]=4 2673 B7R0.7 CNNC(=O)COC 22a_100016993582_100000210968 [1,1,0,0,0,0|1,1,0]=4 2674 B7R0.7 CNNC(=O)CSC 22a_100016993582_100000184570 [1,1,0,0,0,0|1,0,0]=3 2675 B7R0.7 COCC(=O)CC#N 1458a_100000210968_100011214920 [1,1,0,0,0,0|1,0,1]=4 2676 B7R0.7 COCC(=O)CCF 1458a_100000210968_100011217306 [1,1,0,0,0,0|1,0,0]=3 2677 B7R0.7 COCC(=O)CCO 1458a_100000210968_100000211926 [1,1,0,0,0,0|0,1,0]=3 2678 B7R0.7 COCC(=O)NCO 34a_100138415774_100000185155 [1,1,0,0,0,0|1,1,0]=4 2679 B7R0.7 COCC(O)CSC 62a_100011215053_200000210301 [1,1,0,0,0,0|0,0,2]=4 2680 B7R0.7 COCC(O)CSC 62a_200000210301_100011215053 [1,1,0,0,0,0|0,0,2]=4 2681 B7R0.7 COCC(O)CS[13CH3] 62a_100011215053_200025704644 [1,1,0,0,0,0|0,0,2]=4 2682 B7R0.7 COCC(O)CS[13CH3] 62a_200025704644_100011215053 [1,1,0,0,0,0|0,0,2]=4 2683 B7R0.7 CSCC(=O)CC#N 1458a_100000184570_100011214920 [1,1,0,0,0,0|1,0,1]=4 2684 B7R0.7 CSCC(=O)CCF 1458a_100000184570_100011217306 [1,1,0,0,0,0|1,0,0]=3 2685 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [1,1,0,0,0,0|1,0,0]=3 2686 B7R0.7 CSCC(=O)NCO 62a_100000185155_200000210301 [1,1,0,0,0,0|1,0,0]=3 2687 B7R0.7 CSCC(=O)NCO 62a_200000210301_100000185155 [1,1,0,0,0,0|1,0,0]=3 2688 B7R0.7 O=C(CCO)CCF 1458a_100011216618_100011217306 [1,1,0,0,0,0|1,1,0]=4 2689 B7R0.7 O=C(CCO)CCO 1458a_100011216618_100000211926 [1,1,0,0,0,0|1,1,0]=4 2690 B7R0.7 [13CH3]SCC(=O)NCO 62a_100000185155_200025704644 [1,1,0,0,0,0|1,0,0]=3 2691 B7R0.7 [13CH3]SCC(=O)NCO 62a_200025704644_100000185155 [1,1,0,0,0,0|1,0,0]=3 2692 B7R0.10 C#CC(=O)C(C)CC 1458a_100000211873_100000758301 [1,1,0,0,0,0|1,0,1]=4 2693 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [1,1,0,0,0,0|1,0,1]=4 2694 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [1,1,0,0,0,0|1,0,1]=4 2695 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [1,1,0,0,0,0|1,0,0]=3 2696 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [1,1,0,0,0,0|1,0,0]=3 2697 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [1,1,0,0,0,0|2,0,0]=4 2698 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [1,1,0,0,0,0|2,0,0]=4 2699 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [1,1,0,0,0,0|1,1,0]=4 2700 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [1,1,0,0,0,0|1,0,0]=3 2701 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [1,1,0,0,0,0|1,0,0]=3 2702 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [1,1,0,0,0,0|1,0,0]=3 2703 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [1,1,0,0,0,0|1,0,0]=3 2704 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [1,1,0,0,0,0|1,0,0]=3 2705 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [1,1,0,0,0,0|1,0,0]=3 2706 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [1,1,0,0,0,0|1,1,0]=4 2707 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [1,1,0,0,0,0|2,0,0]=4 2708 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [1,1,0,0,0,0|2,0,0]=4 2709 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [1,1,0,0,0,0|2,0,0]=4 2710 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [1,1,0,0,0,0|2,0,0]=4 2711 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [1,1,0,0,0,0|2,0,0]=4 2712 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [1,1,0,0,0,0|2,0,0]=4 2713 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [1,1,0,0,0,0|1,0,0]=3 2714 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [1,1,0,0,0,0|1,0,0]=3 2715 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [1,1,0,0,0,0|1,0,0]=3 2716 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [1,1,0,0,0,0|1,0,0]=3 2717 B7R0.10 CCC(C)C(C)OC 7a_100011215189_200000210301 [1,1,0,0,0,0|1,0,1]=4 2718 B7R0.10 CCC(C)C(C)O[13CH3] 7a_100011215189_200025704644 [1,1,0,0,0,0|1,0,1]=4 2719 B7R0.10 CCC(O)C(=O)CF 1458a_100011196387_100015361967 [1,1,0,0,0,0|2,0,0]=4 2720 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [1,1,0,0,0,0|1,0,0]=3 2721 B7R0.10 CCN(C)C(=O)NC 2708a_100102657272_100000225621 [1,1,0,0,0,0|2,0,0]=4 2722 B7R0.10 CCN(C)C(=O)NC 273464a_100102657272_100000225621 [1,1,0,0,0,0|2,0,0]=4 2723 B7R0.10 CNC(=O)C(=O)OC 11a_106832991635_100000024059 [1,1,0,0,0,0|1,0,1]=4 2724 B7R0.10 CNC(=O)C(=O)OC 1626a_100102657272_100000024059 [1,1,0,0,0,0|1,0,1]=4 2725 B7R0.10 CNC(=O)C(=O)OC 240690a_100102657272_100000024059 [1,1,0,0,0,0|1,0,1]=4 2726 B7R0.10 CNC(=O)C(=O)OC 527a_100102657272_100000024059 [1,1,0,0,0,0|1,0,1]=4 2727 B7R0.10 CNC(=O)C(C)NC 2230a_106832991635_100000731044 [1,1,0,0,0,0|2,0,0]=4 2728 B7R0.10 CNC(=O)C(C)NC 34a_100102657272_100000731044 [1,1,0,0,0,0|2,0,0]=4 2729 B7R0.10 CNC(=O)C(C)NC 7a_106832991635_100000209862 [1,1,0,0,0,0|2,0,0]=4 2730 B7R0.10 CNC(=O)C(C)OC 11a_106832991635_100000743197 [1,1,0,0,0,0|1,1,0]=4 2731 B7R0.10 CNC(=O)C(C)OC 1626a_100102657272_100000743197 [1,1,0,0,0,0|1,1,0]=4 2732 B7R0.10 CNC(=O)C(C)OC 240690a_100102657272_100000743197 [1,1,0,0,0,0|1,1,0]=4 2733 B7R0.10 CNC(=O)C(C)OC 34a_100138415774_100000731044 [1,1,0,0,0,0|1,1,0]=4 2734 B7R0.10 CNC(=O)C(C)OC 527a_100102657272_100000743197 [1,1,0,0,0,0|1,1,0]=4 2735 B7R0.10 CNC(=O)C(C)SC 11a_106832991635_100000149566 [1,1,0,0,0,0|1,0,0]=3 2736 B7R0.10 CNC(=O)C(C)SC 1626a_100102657272_100000149566 [1,1,0,0,0,0|1,0,0]=3 2737 B7R0.10 CNC(=O)C(C)SC 240690a_100102657272_100000149566 [1,1,0,0,0,0|1,0,0]=3 2738 B7R0.10 CNC(=O)C(C)SC 527a_100102657272_100000149566 [1,1,0,0,0,0|1,0,0]=3 2739 B7R0.10 CNC(=O)C(C)SC 62a_100000209862_200000210301 [1,1,0,0,0,0|1,0,0]=3 2740 B7R0.10 CNC(=O)C(C)SC 62a_200000210301_100000731044 [1,1,0,0,0,0|1,0,0]=3 2741 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_100000209862_200025704644 [1,1,0,0,0,0|1,0,0]=3 2742 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_200025704644_100000731044 [1,1,0,0,0,0|1,0,0]=3 2743 B7R0.10 CNC(=O)C(F)NC 2230a_106832991635_100009813575 [1,1,0,0,0,0|2,0,0]=4 2744 B7R0.10 CNC(=O)C(F)NC 34a_100102657272_100009813575 [1,1,0,0,0,0|2,0,0]=4 2745 B7R0.10 CNC(=O)C(F)NC 7a_106832991635_100009813575 [1,1,0,0,0,0|2,0,0]=4 2746 B7R0.10 CNC(=O)C(F)OC 34a_100138415774_100009813575 [1,1,0,0,0,0|1,1,0]=4 2747 B7R0.10 CNC(=O)C(F)SC 62a_100009813575_200000210301 [1,1,0,0,0,0|1,0,0]=3 2748 B7R0.10 CNC(=O)C(F)SC 62a_200000210301_100009813575 [1,1,0,0,0,0|1,0,0]=3 2749 B7R0.10 CNC(=O)C(F)S[13CH3] 62a_100009813575_200025704644 [1,1,0,0,0,0|1,0,0]=3 2750 B7R0.10 CNC(=O)C(F)S[13CH3] 62a_200025704644_100009813575 [1,1,0,0,0,0|1,0,0]=3 2751 B7R0.10 CNC(=O)C(O)CO 240690a_100102657272_100011215603 [1,1,0,0,0,0|1,1,0]=4 2752 B7R0.10 CNC(=O)[C@@H](C)NC 2230a_100000684985_200000210301 [1,1,0,0,0,0|2,0,0]=4 2753 B7R0.10 CNC(=O)[C@@H](C)NC 34a_100000684985_200000210301 [1,1,0,0,0,0|2,0,0]=4 2754 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 2230a_100000684985_200025704644 [1,1,0,0,0,0|2,0,0]=4 2755 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 34a_100000684985_200025704644 [1,1,0,0,0,0|2,0,0]=4 2756 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [1,1,0,0,0,0|1,0,0]=3 2757 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [1,1,0,0,0,0|1,0,0]=3 2758 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [1,1,0,0,0,0|1,0,0]=3 2759 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [1,1,0,0,0,0|0,1,0]=3 2760 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [1,1,0,0,0,0|0,1,0]=3 2761 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [1,1,0,0,0,0|0,1,0]=3 2762 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [1,1,0,0,0,0|0,0,0]=2 2763 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [1,1,0,0,0,0|0,0,0]=2 2764 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [1,1,0,0,0,0|0,0,0]=2 2765 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [1,1,0,0,0,0|0,0,0]=2 2766 B7R0.10 CSC(C)C(=O)CF 1458a_100000149566_100015361967 [1,1,0,0,0,0|2,0,0]=4 2767 B7R0.11 CCCC(C)(C)OC 7a_100000748436_200000210301 [1,1,0,0,0,0|1,0,1]=4 2768 B7R0.11 CCCC(C)(C)O[13CH3] 7a_100000748436_200025704644 [1,1,0,0,0,0|1,0,1]=4 2769 B7R0.11 CCCS(=O)(=O)NC 270084a_100102657272_100000211391 [1,1,0,0,0,0|2,0,0]=4 2770 B7R0.11 CCCS(=O)(=O)NC 274078a_100102657272_100000211391 [1,1,0,0,0,0|2,0,0]=4 2771 B7R0.11 CCCS(=O)(=O)NC 40a_100102657272_100000054278 [1,1,0,0,0,0|2,0,0]=4 2772 B7R0.11 COC(C)(C)CSC 62a_100000701081_200000210301 [1,1,0,0,0,0|1,0,1]=4 2773 B7R0.11 COC(C)(C)CSC 62a_200000210301_100000701081 [1,1,0,0,0,0|1,0,1]=4 2774 B7R0.11 COC(C)(C)CS[13CH3] 62a_100000701081_200025704644 [1,1,0,0,0,0|1,0,1]=4 2775 B7R0.11 COC(C)(C)CS[13CH3] 62a_200025704644_100000701081 [1,1,0,0,0,0|1,0,1]=4 2776 B7R0.12 C#CC(CCC)OC 34a_200011217317_200000210301 [1,1,0,0,0,0|1,0,1]=4 2777 B7R0.12 C#CC(CCC)OC 7a_200011217317_200000210301 [1,1,0,0,0,0|1,0,1]=4 2778 B7R0.12 C#CC(CCC)O[13CH3] 34a_200011217317_200025704644 [1,1,0,0,0,0|1,0,1]=4 2779 B7R0.12 C#CC(CCC)O[13CH3] 7a_200011217317_200025704644 [1,1,0,0,0,0|1,0,1]=4 2780 B7R0.12 C=CC(CCC)OC 34a_100011216692_200000210301 [1,1,0,0,0,0|1,0,1]=4 2781 B7R0.12 C=CC(CCC)OC 7a_100011216692_200000210301 [1,1,0,0,0,0|1,0,1]=4 2782 B7R0.12 C=CC(CCC)O[13CH3] 34a_100011216692_200025704644 [1,1,0,0,0,0|1,0,1]=4 2783 B7R0.12 C=CC(CCC)O[13CH3] 7a_100011216692_200025704644 [1,1,0,0,0,0|1,0,1]=4 2784 B7R0.12 CCCC(C#N)OC 34a_100000686963_200000210301 [1,1,0,0,0,0|1,0,1]=4 2785 B7R0.12 CCCC(C#N)OC 7a_100000686963_200000210301 [1,1,0,0,0,0|1,0,1]=4 2786 B7R0.12 CCCC(C#N)O[13CH3] 34a_100000686963_200025704644 [1,1,0,0,0,0|1,0,1]=4 2787 B7R0.12 CCCC(C#N)O[13CH3] 7a_100000686963_200025704644 [1,1,0,0,0,0|1,0,1]=4 2788 B7R0.12 CCCC(CC)OC 34a_100000687864_200000210301 [1,1,0,0,0,0|1,0,1]=4 2789 B7R0.12 CCCC(CC)OC 7a_100000687864_200000210301 [1,1,0,0,0,0|1,0,1]=4 2790 B7R0.12 CCCC(CC)O[13CH3] 34a_100000687864_200025704644 [1,1,0,0,0,0|1,0,1]=4 2791 B7R0.12 CCCC(CC)O[13CH3] 7a_100000687864_200025704644 [1,1,0,0,0,0|1,0,1]=4 2792 B7R0.12 COC(CSC)OC 62a_100000751394_200000210301 [1,1,0,0,0,0|0,0,2]=4 2793 B7R0.12 COC(CSC)OC 62a_200000210301_100000751394 [1,1,0,0,0,0|0,0,2]=4 2794 B7R0.12 COC(CS[13CH3])OC 62a_100000751394_200025704644 [1,1,0,0,0,0|0,0,2]=4 2795 B7R0.12 COC(CS[13CH3])OC 62a_200025704644_100000751394 [1,1,0,0,0,0|0,0,2]=4 2796 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [1,1,0,0,0,0|1,0,1]=4 2797 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [1,1,0,0,0,0|1,0,1]=4 2798 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [1,1,0,0,0,0|1,0,1]=4 2799 B7R0.4 C#CCCNC(=O)C 11a_100000755551_100015343762 [1,1,0,0,0,0|1,0,1]=4 2800 B7R0.4 C#CCCNC(=O)C 1626a_100000755551_100015343762 [1,1,0,0,0,0|1,0,1]=4 2801 B7R0.4 C#CCCNC(=O)C 240690a_100000755551_100015343762 [1,1,0,0,0,0|1,0,1]=4 2802 B7R0.4 C#CCCNC(=O)C 527a_100000755551_100103153847 [1,1,0,0,0,0|1,0,1]=4 2803 B7R0.4 C#CCNCC(=O)O 269956a_100016091260_100000184674 [1,1,0,0,0,0|1,0,1]=4 2804 B7R0.4 C#CCOCC(=O)C 1458a_100011251226_200000210301 [1,1,0,0,0,0|1,0,1]=4 2805 B7R0.4 C#CCOCC(=O)C 34a_100000211253_100000184674 [1,1,0,0,0,0|1,0,1]=4 2806 B7R0.4 C#CCOCC(=O)[13CH3] 1458a_100011251226_200025704644 [1,1,0,0,0,0|1,0,1]=4 2807 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [1,1,0,0,0,0|2,0,0]=4 2808 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [1,1,0,0,0,0|1,1,0]=4 2809 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [1,1,0,0,0,0|1,1,0]=4 2810 B7R0.4 C=C(C)CCOCF 34a_100000764851_100015361967 [1,1,0,0,0,0|1,1,0]=4 2811 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [1,1,0,0,0,0|1,0,0]=3 2812 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [1,1,0,0,0,0|1,0,0]=3 2813 B7R0.4 C=C(C)CCSCF 62a_100000730704_100015361967 [1,1,0,0,0,0|1,0,0]=3 2814 B7R0.4 C=C(C)CCSCF 62a_100015361967_100000730704 [1,1,0,0,0,0|1,0,0]=3 2815 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [1,1,0,0,0,0|2,0,0]=4 2816 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [1,1,0,0,0,0|2,0,0]=4 2817 B7R0.4 C=C(C)COCSC 34a_100000210245_100011218213 [1,1,0,0,0,0|1,0,0]=3 2818 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [1,1,0,0,0,0|2,0,0]=4 2819 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [1,1,0,0,0,0|2,0,0]=4 2820 B7R0.4 C=C(C)CSCOC 62a_100000748629_100000766300 [1,1,0,0,0,0|1,1,0]=4 2821 B7R0.4 C=C(C)CSCOC 62a_100000766300_100000211660 [1,1,0,0,0,0|1,1,0]=4 2822 B7R0.4 C=C(C)CSCSC 62a_100000748629_100011218213 [1,1,0,0,0,0|1,0,0]=3 2823 B7R0.4 C=C(C)CSCSC 62a_100011218213_100000211660 [1,1,0,0,0,0|1,0,0]=3 2824 B7R0.4 C=C(F)COCSC 34a_200010262243_100011218213 [1,1,0,0,0,0|1,0,1]=4 2825 B7R0.4 C=C(F)CSCSC 62a_100000042424_100011218213 [1,1,0,0,0,0|1,0,1]=4 2826 B7R0.4 C=C(F)CSCSC 62a_100011218213_100000042424 [1,1,0,0,0,0|1,0,1]=4 2827 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [1,1,0,0,0,0|1,0,1]=4 2828 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [1,1,0,0,0,0|1,0,1]=4 2829 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [1,1,0,0,0,0|1,0,1]=4 2830 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [1,1,0,0,0,0|1,0,1]=4 2831 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [1,1,0,0,0,0|1,0,1]=4 2832 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [1,1,0,0,0,0|1,0,1]=4 2833 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [1,1,0,0,0,0|1,0,1]=4 2834 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [1,1,0,0,0,0|1,0,1]=4 2835 B7R0.4 C=CCOCC(=O)C 34a_100000211253_100015514636 [1,1,0,0,0,0|1,0,1]=4 2836 B7R0.4 C=CCSCC(=O)C 1458a_100000230395_200000210301 [1,1,0,0,0,0|1,0,1]=4 2837 B7R0.4 C=CCSCC(=O)[13CH3] 1458a_100000230395_200025704644 [1,1,0,0,0,0|1,0,1]=4 2838 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [1,1,0,0,0,0|0,1,1]=4 2839 B7R0.4 CC#CCNC(=O)C 11a_100000685387_100015343762 [1,1,0,0,0,0|1,0,1]=4 2840 B7R0.4 CC#CCNC(=O)C 1626a_100000685387_100015343762 [1,1,0,0,0,0|1,0,1]=4 2841 B7R0.4 CC#CCNC(=O)C 527a_100000685387_100103153847 [1,1,0,0,0,0|1,0,1]=4 2842 B7R0.4 CC(=CCCS[13CH3])C 62a_100011217483_200025704644 [1,1,0,0,0,0|1,0,0]=3 2843 B7R0.4 CC(=CCCS[13CH3])C 62a_200025704644_100011217483 [1,1,0,0,0,0|1,0,0]=3 2844 B7R0.4 CC(=CCSCF)C 62a_100000761012_100015361967 [1,1,0,0,0,0|1,0,1]=4 2845 B7R0.4 CC(=CCSCF)C 62a_100015361967_100000761012 [1,1,0,0,0,0|1,0,1]=4 2846 B7R0.4 CC(=O)CC#CCO 1458a_100000070787_200000047223 [1,1,0,0,0,0|1,0,1]=4 2847 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [1,1,0,0,0,0|1,0,1]=4 2848 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [1,1,0,0,0,0|1,0,1]=4 2849 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [1,1,0,0,0,0|1,0,0]=3 2850 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,1,0,0,0,0|1,0,0]=3 2851 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,1,0,0,0,0|1,0,0]=3 2852 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [1,1,0,0,0,0|0,1,0]=3 2853 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [1,1,0,0,0,0|0,1,0]=3 2854 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [1,1,0,0,0,0|0,0,0]=2 2855 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [1,1,0,0,0,0|0,0,0]=2 2856 B7R0.4 CC(=O)CCN=[N+]=[N-] 1458a_100000688302_200000210301 [1,1,0,0,0,0|2,0,0]=4 2857 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [1,1,0,0,0,0|0,1,0]=3 2858 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [1,1,0,0,0,0|0,1,0]=3 2859 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [1,1,0,0,0,0|0,0,0]=2 2860 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [1,1,0,0,0,0|0,0,0]=2 2861 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [1,1,0,0,0,0|2,0,0]=4 2862 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [1,1,0,0,0,0|2,0,0]=4 2863 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [1,1,0,0,0,0|2,0,0]=4 2864 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [1,1,0,0,0,0|2,0,0]=4 2865 B7R0.4 CC(=O)CSCC#N 1458a_100000150266_200000210301 [1,1,0,0,0,0|2,0,0]=4 2866 B7R0.4 CC(=O)NCCC#N 11a_100000720768_100015343762 [1,1,0,0,0,0|2,0,0]=4 2867 B7R0.4 CC(=O)NCCC#N 1626a_100000720768_100015343762 [1,1,0,0,0,0|2,0,0]=4 2868 B7R0.4 CC(=O)NCCC#N 240690a_100000720768_100015343762 [1,1,0,0,0,0|2,0,0]=4 2869 B7R0.4 CC(=O)NCCC#N 527a_100000720768_100103153847 [1,1,0,0,0,0|2,0,0]=4 2870 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [1,1,0,0,0,0|2,0,0]=4 2871 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [1,1,0,0,0,0|2,0,0]=4 2872 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [1,1,0,0,0,0|2,0,0]=4 2873 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [1,1,0,0,0,0|2,0,0]=4 2874 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [1,1,0,0,0,0|2,0,0]=4 2875 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [1,1,0,0,0,0|2,0,0]=4 2876 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [1,1,0,0,0,0|1,0,0]=3 2877 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [1,1,0,0,0,0|0,1,0]=3 2878 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [1,1,0,0,0,0|0,0,0]=2 2879 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [1,1,0,0,0,0|0,0,0]=2 2880 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [1,1,0,0,0,0|0,0,0]=2 2881 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [1,1,0,0,0,0|0,0,0]=2 2882 B7R0.4 CC(=O)OCSCF 62a_100000076356_100015361967 [1,1,0,0,0,0|1,0,0]=3 2883 B7R0.4 CC(=O)OCSCF 62a_100015361967_100000076356 [1,1,0,0,0,0|1,0,0]=3 2884 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [1,1,0,0,0,0|1,0,1]=4 2885 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [1,1,0,0,0,0|1,0,1]=4 2886 B7R0.4 CC(C)CCSCF 62a_100000210312_100015361967 [1,1,0,0,0,0|1,0,1]=4 2887 B7R0.4 CC(C)CCSCF 62a_100015361967_100000210312 [1,1,0,0,0,0|1,0,1]=4 2888 B7R0.4 CC(C)OCCS[13CH3] 62a_100000211751_200025704644 [1,1,0,0,0,0|1,0,1]=4 2889 B7R0.4 CC(C)OCCS[13CH3] 62a_200025704644_100000211751 [1,1,0,0,0,0|1,0,1]=4 2890 B7R0.4 CC(C)SCCS[13CH3] 62a_100000730970_200025704644 [1,1,0,0,0,0|1,0,1]=4 2891 B7R0.4 CC(C)SCCS[13CH3] 62a_200025704644_100000730970 [1,1,0,0,0,0|1,0,1]=4 2892 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [1,1,0,0,0,0|0,0,2]=4 2893 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [1,1,0,0,0,0|0,0,2]=4 2894 B7R0.4 CC(O)CCSCF 62a_100012276601_100015361967 [1,1,0,0,0,0|0,0,2]=4 2895 B7R0.4 CC(O)CCSCF 62a_100015361967_100012276601 [1,1,0,0,0,0|0,0,2]=4 2896 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,1,0,0,0,0|1,0,1]=4 2897 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,1,0,0,0,0|1,0,1]=4 2898 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,1,0,0,0,0|1,0,1]=4 2899 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [1,1,0,0,0,0|1,0,1]=4 2900 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [1,1,0,0,0,0|1,0,1]=4 2901 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [1,1,0,0,0,0|1,0,1]=4 2902 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [1,1,0,0,0,0|1,0,1]=4 2903 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [1,1,0,0,0,0|1,0,1]=4 2904 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,1,0,0,0,0|1,0,0]=3 2905 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,1,0,0,0,0|1,0,0]=3 2906 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,1,0,0,0,0|1,0,0]=3 2907 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,1,0,0,0,0|1,0,0]=3 2908 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,1,0,0,0,0|1,0,0]=3 2909 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,1,0,0,0,0|1,0,0]=3 2910 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,1,0,0,0,0|1,0,0]=3 2911 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [1,1,0,0,0,0|2,0,0]=4 2912 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,1,0,0,0,0|1,0,0]=3 2913 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [1,1,0,0,0,0|2,0,0]=4 2914 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [1,1,0,0,0,0|1,0,0]=3 2915 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [1,1,0,0,0,0|1,0,0]=3 2916 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [1,1,0,0,0,0|2,0,0]=4 2917 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [1,1,0,0,0,0|1,0,0]=3 2918 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [1,1,0,0,0,0|1,0,1]=4 2919 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,1,0,0,0,0|1,0,0]=3 2920 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [1,1,0,0,0,0|2,0,0]=4 2921 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [1,1,0,0,0,0|2,0,0]=4 2922 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,1,0,0,0,0|1,0,0]=3 2923 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [1,1,0,0,0,0|1,0,1]=4 2924 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [1,1,0,0,0,0|1,0,1]=4 2925 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [1,1,0,0,0,0|2,0,0]=4 2926 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [1,1,0,0,0,0|2,0,0]=4 2927 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,1,0,0,0,0|0,1,0]=3 2928 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,1,0,0,0,0|0,1,0]=3 2929 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,1,0,0,0,0|0,1,0]=3 2930 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,1,0,0,0,0|0,1,0]=3 2931 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [1,1,0,0,0,0|1,1,0]=4 2932 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [1,1,0,0,0,0|1,1,0]=4 2933 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [1,1,0,0,0,0|1,1,0]=4 2934 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,1,0,0,0,0|0,1,0]=3 2935 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [1,1,0,0,0,0|1,1,0]=4 2936 B7R0.4 CCSCC=C(C)C 62a_100000210202_100000761012 [1,1,0,0,0,0|1,0,1]=4 2937 B7R0.4 CCSCC=C(C)C 62a_100000761012_100000210202 [1,1,0,0,0,0|1,0,1]=4 2938 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [1,1,0,0,0,0|0,0,0]=2 2939 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [1,1,0,0,0,0|0,0,0]=2 2940 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [1,1,0,0,0,0|0,0,0]=2 2941 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [1,1,0,0,0,0|0,0,0]=2 2942 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [1,1,0,0,0,0|1,0,0]=3 2943 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [1,1,0,0,0,0|1,0,0]=3 2944 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [1,1,0,0,0,0|0,0,0]=2 2945 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [1,1,0,0,0,0|1,0,1]=4 2946 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [1,1,0,0,0,0|1,0,1]=4 2947 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [1,1,0,0,0,0|0,0,2]=4 2948 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [1,1,0,0,0,0|0,0,2]=4 2949 B7R0.4 CCSCCN(C)C 2230a_100102631434_100000757381 [1,1,0,0,0,0|2,0,0]=4 2950 B7R0.4 CCSCCN(C)C 269982a_100102631434_100000757381 [1,1,0,0,0,0|2,0,0]=4 2951 B7R0.4 CCSCCN(C)C 62a_100000210202_100000755713 [1,1,0,0,0,0|2,0,0]=4 2952 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [1,1,0,0,0,0|1,0,0]=3 2953 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [1,1,0,0,0,0|1,0,0]=3 2954 B7R0.4 CN(C)CCCS[13CH3] 62a_200025704644_100000757444 [1,1,0,0,0,0|2,0,0]=4 2955 B7R0.4 CN(C)CCSCF 62a_100015361967_100000755713 [1,1,0,0,0,0|2,0,0]=4 2956 B7R0.4 CNCCC=C(C)C 2230a_106832991635_100011217483 [1,1,0,0,0,0|2,0,0]=4 2957 B7R0.4 CNCCC=C(C)C 34a_100102657272_100011217483 [1,1,0,0,0,0|2,0,0]=4 2958 B7R0.4 CNCCC=C(C)C 7a_106832991635_100011217483 [1,1,0,0,0,0|2,0,0]=4 2959 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [1,1,0,0,0,0|1,0,0]=3 2960 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [1,1,0,0,0,0|1,0,0]=3 2961 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [1,1,0,0,0,0|2,0,0]=4 2962 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [1,1,0,0,0,0|2,0,0]=4 2963 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [1,1,0,0,0,0|2,0,0]=4 2964 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [1,1,0,0,0,0|2,0,0]=4 2965 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [1,1,0,0,0,0|1,0,0]=3 2966 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [1,1,0,0,0,0|1,0,0]=3 2967 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [1,1,0,0,0,0|1,0,0]=3 2968 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [1,1,0,0,0,0|2,0,0]=4 2969 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [1,1,0,0,0,0|2,0,0]=4 2970 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [1,1,0,0,0,0|2,0,0]=4 2971 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [1,1,0,0,0,0|1,0,0]=3 2972 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [1,1,0,0,0,0|1,0,0]=3 2973 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [1,1,0,0,0,0|2,0,0]=4 2974 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [1,1,0,0,0,0|2,0,0]=4 2975 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [1,1,0,0,0,0|0,1,1]=4 2976 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [1,1,0,0,0,0|0,1,1]=4 2977 B7R0.4 COCCC=C(C)C 34a_100138415774_100011217483 [1,1,0,0,0,0|1,1,0]=4 2978 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [1,1,0,0,0,0|0,1,0]=3 2979 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [1,1,0,0,0,0|0,1,0]=3 2980 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [1,1,0,0,0,0|0,1,0]=3 2981 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [1,1,0,0,0,0|0,1,0]=3 2982 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [1,1,0,0,0,0|0,1,0]=3 2983 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [1,1,0,0,0,0|1,1,0]=4 2984 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [1,1,0,0,0,0|0,1,0]=3 2985 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [1,1,0,0,0,0|0,1,0]=3 2986 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [1,1,0,0,0,0|0,1,0]=3 2987 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [1,1,0,0,0,0|0,1,0]=3 2988 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [1,1,0,0,0,0|0,1,0]=3 2989 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [1,1,0,0,0,0|1,1,0]=4 2990 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [1,1,0,0,0,0|0,1,0]=3 2991 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [1,1,0,0,0,0|1,1,0]=4 2992 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [1,1,0,0,0,0|1,1,0]=4 2993 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [1,1,0,0,0,0|1,1,0]=4 2994 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [1,1,0,0,0,0|0,1,0]=3 2995 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [1,1,0,0,0,0|1,1,0]=4 2996 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [1,1,0,0,0,0|1,1,0]=4 2997 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [1,1,0,0,0,0|0,1,1]=4 2998 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [1,1,0,0,0,0|0,1,1]=4 2999 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [1,1,0,0,0,0|2,0,0]=4 3000 B7R0.4 CSCCC=C(C)C 62a_100011217483_200000210301 [1,1,0,0,0,0|1,0,0]=3 3001 B7R0.4 CSCCC=C(C)C 62a_200000210301_100011217483 [1,1,0,0,0,0|1,0,0]=3 3002 B7R0.4 CSCCC=C(F)F 62a_200000210301_200009816681 [1,1,0,0,0,0|2,0,0]=4 3003 B7R0.4 CSCCC=C(F)F 62a_200009816681_200000210301 [1,1,0,0,0,0|2,0,0]=4 3004 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [1,1,0,0,0,0|0,0,0]=2 3005 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [1,1,0,0,0,0|0,0,0]=2 3006 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [1,1,0,0,0,0|0,0,0]=2 3007 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [1,1,0,0,0,0|1,0,0]=3 3008 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [1,1,0,0,0,0|1,0,0]=3 3009 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [1,1,0,0,0,0|0,0,0]=2 3010 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [1,1,0,0,0,0|1,0,1]=4 3011 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [1,1,0,0,0,0|1,0,1]=4 3012 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [1,1,0,0,0,0|0,0,2]=4 3013 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [1,1,0,0,0,0|0,0,2]=4 3014 B7R0.4 CSCCCN(C)C 62a_200000210301_100000757444 [1,1,0,0,0,0|2,0,0]=4 3015 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [1,1,0,0,0,0|0,0,0]=2 3016 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [1,1,0,0,0,0|0,0,0]=2 3017 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [1,1,0,0,0,0|0,0,0]=2 3018 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [1,1,0,0,0,0|0,0,0]=2 3019 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [1,1,0,0,0,0|0,0,0]=2 3020 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [1,1,0,0,0,0|0,0,0]=2 3021 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [1,1,0,0,0,0|1,0,0]=3 3022 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [1,1,0,0,0,0|1,0,0]=3 3023 B7R0.4 CSCCNC(C)C 2230a_100020590264_100000210206 [1,1,0,0,0,0|1,0,1]=4 3024 B7R0.4 CSCCNC(C)C 2230a_100138425928_100000751147 [1,1,0,0,0,0|1,0,1]=4 3025 B7R0.4 CSCCNC(C)C 34a_100138425928_100000212216 [1,1,0,0,0,0|1,0,1]=4 3026 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [1,1,0,0,0,0|0,0,0]=2 3027 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [1,1,0,0,0,0|0,0,0]=2 3028 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [1,1,0,0,0,0|1,0,0]=3 3029 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [1,1,0,0,0,0|1,0,0]=3 3030 B7R0.4 CSCCOC(C)C 34a_100000212225_100000212216 [1,1,0,0,0,0|1,0,1]=4 3031 B7R0.4 CSCCOC(C)C 34a_100000230434_100000210206 [1,1,0,0,0,0|1,0,1]=4 3032 B7R0.4 CSCCOC(C)C 62a_100000211751_200000210301 [1,1,0,0,0,0|1,0,1]=4 3033 B7R0.4 CSCCOC(C)C 62a_200000210301_100000211751 [1,1,0,0,0,0|1,0,1]=4 3034 B7R0.4 CSCCOC(C)C 7a_100000230434_100000210206 [1,1,0,0,0,0|1,0,1]=4 3035 B7R0.4 CSCCSC(C)C 62a_100000210206_100000751147 [1,1,0,0,0,0|1,0,1]=4 3036 B7R0.4 CSCCSC(C)C 62a_100000212216_100000210206 [1,1,0,0,0,0|1,0,1]=4 3037 B7R0.4 CSCCSC(C)C 62a_100000730970_200000210301 [1,1,0,0,0,0|1,0,1]=4 3038 B7R0.4 CSCCSC(C)C 62a_200000210301_100000730970 [1,1,0,0,0,0|1,0,1]=4 3039 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [1,1,0,0,0,0|1,0,0]=3 3040 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [1,1,0,0,0,0|0,0,0]=2 3041 B7R0.4 CSCNCC(C)C 2230a_100000210953_100011218213 [1,1,0,0,0,0|1,0,1]=4 3042 B7R0.4 CSCNCC(C)C 34a_100000210953_100011218213 [1,1,0,0,0,0|1,0,1]=4 3043 B7R0.4 CSCNCC(C)O 2230a_100000210904_100011218213 [1,1,0,0,0,0|0,0,2]=4 3044 B7R0.4 CSCNCC(C)O 34a_100000210904_100011218213 [1,1,0,0,0,0|0,0,2]=4 3045 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [1,1,0,0,0,0|0,0,0]=2 3046 B7R0.4 CSCOCC(C)Br 34a_100012180447_100011218213 [1,1,0,0,0,0|1,0,1]=4 3047 B7R0.4 CSCOCC(C)C 34a_100000210257_100011218213 [1,1,0,0,0,0|1,0,1]=4 3048 B7R0.4 CSCOCC(C)F 34a_100015925927_100011218213 [1,1,0,0,0,0|1,0,1]=4 3049 B7R0.4 CSCOC[C@@H](C)Cl 34a_100016084084_100011218213 [1,1,0,0,0,0|1,0,1]=4 3050 B7R0.4 CSCOC[C@@H](C)N 34a_100000737577_100011218213 [1,1,0,0,0,0|1,0,1]=4 3051 B7R0.4 CSCSCC(=O)N 62a_100000747473_100011218213 [1,1,0,0,0,0|1,0,0]=3 3052 B7R0.4 CSCSCC(=O)N 62a_100011218213_100000747473 [1,1,0,0,0,0|1,0,0]=3 3053 B7R0.4 CSCSCC(=O)[O-] 62a_100011218213_100020667443 [1,1,0,0,0,0|0,0,1]=3 3054 B7R0.4 CSCSCC(=O)[O-] 62a_100020667443_100011218213 [1,1,0,0,0,0|0,0,1]=3 3055 B7R0.4 CSCSCC(C)C 62a_100000210624_100011218213 [1,1,0,0,0,0|1,0,1]=4 3056 B7R0.4 CSCSCC(C)C 62a_100011218213_100000210760 [1,1,0,0,0,0|1,0,1]=4 3057 B7R0.4 CSCSCC(C)O 62a_100011218213_100011218427 [1,1,0,0,0,0|0,0,2]=4 3058 B7R0.4 CSCSCC(C)O 62a_100011218427_100011218213 [1,1,0,0,0,0|0,0,2]=4 3059 B7R0.4 CSCSC[C@@H](C)O 62a_100009817552_100011218213 [1,1,0,0,0,0|0,0,2]=4 3060 B7R0.4 CSCSC[C@@H](C)O 62a_100011218213_100009817552 [1,1,0,0,0,0|0,0,2]=4 3061 B7R0.4 CSCSC[N+](=O)[O-] 62a_100011218213_100000761209 [1,1,0,0,0,0|1,0,1]=4 3062 B7R0.4 N#CCNCC(=O)O 269956a_100016091260_100011215382 [1,1,0,0,0,0|2,0,0]=4 3063 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [1,1,0,0,0,0|1,1,0]=4 3064 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [1,1,0,0,0,0|1,1,0]=4 3065 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [1,1,0,0,0,0|1,0,0]=3 3066 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [1,1,0,0,0,0|1,0,0]=3 3067 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [1,1,0,0,0,0|2,0,0]=4 3068 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [1,1,0,0,0,0|2,0,0]=4 3069 B7R0.4 O=C(O)CONCF 269956a_100000106656_100015361967 [1,1,0,0,0,0|2,0,0]=4 3070 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [1,1,0,0,0,0|2,0,0]=4 3071 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [1,1,0,0,0,0|1,0,1]=4 3072 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,1,0,0,0,0|1,0,0]=3 3073 B7R0.4 [13CH3]C(=O)CCN=[N+]=[N-] 1458a_100000688302_200025704644 [1,1,0,0,0,0|2,0,0]=4 3074 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [1,1,0,0,0,0|2,0,0]=4 3075 B7R0.4 [13CH3]C(=O)CSCC#N 1458a_100000150266_200025704644 [1,1,0,0,0,0|2,0,0]=4 3076 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [1,1,0,0,0,0|2,0,0]=4 3077 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [1,1,0,0,0,0|2,0,0]=4 3078 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [1,1,0,0,0,0|1,1,0]=4 3079 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [1,1,0,0,0,0|1,1,0]=4 3080 B7R0.4 [13CH3]SCCC=C(F)F 62a_200009816681_200025704644 [1,1,0,0,0,0|2,0,0]=4 3081 B7R0.4 [13CH3]SCCC=C(F)F 62a_200025704644_200009816681 [1,1,0,0,0,0|2,0,0]=4 3082 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [1,1,0,0,0,0|1,0,0]=3 3083 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [1,1,0,0,0,0|1,0,0]=3 3084 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [1,1,0,0,0,0|1,0,0]=3 3085 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [1,1,0,0,0,0|1,0,0]=3 3086 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [1,1,0,0,0,0|1,0,0]=3 3087 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [1,1,0,0,0,0|1,0,0]=3 3088 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [1,1,0,0,0,0|1,0,0]=3 3089 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [1,1,0,0,0,0|1,0,0]=3 3090 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [1,1,0,0,0,0|1,0,0]=3 3091 B7R0.6 C=C(C)CCN(C)C 2230a_100102631434_100000730704 [1,1,0,0,0,0|2,0,0]=4 3092 B7R0.6 C=C(C)CCN(C)C 269982a_100102631434_100000730704 [1,1,0,0,0,0|2,0,0]=4 3093 B7R0.6 C=C(C)CNC(=O)C 11a_100000765925_100015343762 [1,1,0,0,0,0|2,0,0]=4 3094 B7R0.6 C=C(C)CNC(=O)C 1626a_100000765925_100015343762 [1,1,0,0,0,0|2,0,0]=4 3095 B7R0.6 C=C(C)CNC(=O)C 240690a_100000765925_100015343762 [1,1,0,0,0,0|2,0,0]=4 3096 B7R0.6 C=C(C)CNC(=O)C 527a_100000765925_100103153847 [1,1,0,0,0,0|2,0,0]=4 3097 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [1,1,0,0,0,0|1,0,1]=4 3098 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [1,1,0,0,0,0|1,0,1]=4 3099 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [1,1,0,0,0,0|1,0,1]=4 3100 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [1,1,0,0,0,0|2,0,0]=4 3101 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [1,1,0,0,0,0|1,0,0]=3 3102 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [1,1,0,0,0,0|1,0,0]=3 3103 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [1,1,0,0,0,0|1,0,0]=3 3104 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [1,1,0,0,0,0|1,0,0]=3 3105 B7R0.6 CC(=O)CC[N+](=O)[O-] 1458a_200000064761_200000210301 [1,1,0,0,0,0|2,0,0]=4 3106 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [1,1,0,0,0,0|0,0,1]=3 3107 B7R0.6 CC(=O)CNC(=O)C 1458a_100000194580_200000210301 [1,1,0,0,0,0|2,0,0]=4 3108 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [1,1,0,0,0,0|2,0,0]=4 3109 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [1,1,0,0,0,0|2,0,0]=4 3110 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [1,1,0,0,0,0|2,0,0]=4 3111 B7R0.6 CC(=O)CSC(=O)C 1458a_100000049016_200000210301 [1,1,0,0,0,0|2,0,0]=4 3112 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [1,1,0,0,0,0|2,0,0]=4 3113 B7R0.6 CC(=O)NCC(=O)[13CH3] 1458a_100000194580_200025704644 [1,1,0,0,0,0|2,0,0]=4 3114 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [1,1,0,0,0,0|2,0,0]=4 3115 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [1,1,0,0,0,0|2,0,0]=4 3116 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [1,1,0,0,0,0|2,0,0]=4 3117 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [1,1,0,0,0,0|2,0,0]=4 3118 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [1,1,0,0,0,0|2,0,0]=4 3119 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [1,1,0,0,0,0|2,0,0]=4 3120 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [1,1,0,0,0,0|2,0,0]=4 3121 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [1,1,0,0,0,0|2,0,0]=4 3122 B7R0.6 CC(=O)OCN(C)C 269982a_100102631434_100000076356 [1,1,0,0,0,0|2,0,0]=4 3123 B7R0.6 CC(=O)SCC(=O)[13CH3] 1458a_100000049016_200025704644 [1,1,0,0,0,0|2,0,0]=4 3124 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [1,1,0,0,0,0|1,0,0]=3 3125 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [1,1,0,0,0,0|2,0,0]=4 3126 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [1,1,0,0,0,0|2,0,0]=4 3127 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [1,1,0,0,0,0|2,0,0]=4 3128 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [1,1,0,0,0,0|2,0,0]=4 3129 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [1,1,0,0,0,0|2,0,0]=4 3130 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [1,1,0,0,0,0|2,0,0]=4 3131 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [1,1,0,0,0,0|2,0,0]=4 3132 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [1,1,0,0,0,0|0,0,1]=3 3133 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [1,1,0,0,0,0|2,0,0]=4 3134 B7R0.6 [13CH3]C(=O)CC[N+](=O)[O-] 1458a_200000064761_200025704644 [1,1,0,0,0,0|2,0,0]=4 3135 B7R0.8 CC(C)(C)CCS[13CH3] 62a_100000755188_200025704644 [1,1,0,0,0,0|1,0,1]=4 3136 B7R0.8 CC(C)(C)CCS[13CH3] 62a_200025704644_100000755188 [1,1,0,0,0,0|1,0,1]=4 3137 B7R0.8 CC(C)(O)CCS[13CH3] 62a_100000702414_200025704644 [1,1,0,0,0,0|0,0,2]=4 3138 B7R0.8 CC(C)(O)CCS[13CH3] 62a_200025704644_100000702414 [1,1,0,0,0,0|0,0,2]=4 3139 B7R0.8 CNCCS(=O)(=O)C 2230a_100000740961_200000210301 [1,1,0,0,0,0|2,0,0]=4 3140 B7R0.8 CNCCS(=O)(=O)C 2230a_106832991635_100000731031 [1,1,0,0,0,0|2,0,0]=4 3141 B7R0.8 CNCCS(=O)(=O)C 34a_100000740961_200000210301 [1,1,0,0,0,0|2,0,0]=4 3142 B7R0.8 CNCCS(=O)(=O)C 34a_100102657272_100000731031 [1,1,0,0,0,0|2,0,0]=4 3143 B7R0.8 CNCCS(=O)(=O)C 7a_106832991635_100000230027 [1,1,0,0,0,0|2,0,0]=4 3144 B7R0.8 COCCS(=O)(=O)C 34a_100000211924_200000210301 [1,1,0,0,0,0|1,1,0]=4 3145 B7R0.8 COCCS(=O)(=O)C 34a_100138415774_100000731031 [1,1,0,0,0,0|1,1,0]=4 3146 B7R0.8 COCCS(=O)(=O)C 7a_100000211924_200000210301 [1,1,0,0,0,0|1,1,0]=4 3147 B7R0.8 CS(=O)(=O)CCN[13CH3] 2230a_100000740961_200025704644 [1,1,0,0,0,0|2,0,0]=4 3148 B7R0.8 CS(=O)(=O)CCN[13CH3] 34a_100000740961_200025704644 [1,1,0,0,0,0|2,0,0]=4 3149 B7R0.8 CS(=O)(=O)CCO[13CH3] 34a_100000211924_200025704644 [1,1,0,0,0,0|1,1,0]=4 3150 B7R0.8 CS(=O)(=O)CCO[13CH3] 7a_100000211924_200025704644 [1,1,0,0,0,0|1,1,0]=4 3151 B7R0.8 CS(=O)(=O)CCS[13CH3] 62a_100000731031_200025704644 [1,1,0,0,0,0|1,0,0]=3 3152 B7R0.8 CS(=O)(=O)CCS[13CH3] 62a_200025704644_100000230027 [1,1,0,0,0,0|1,0,0]=3 3153 B7R0.8 CSCCC(C)(C)C 62a_100000755188_200000210301 [1,1,0,0,0,0|1,0,1]=4 3154 B7R0.8 CSCCC(C)(C)C 62a_200000210301_100000755188 [1,1,0,0,0,0|1,0,1]=4 3155 B7R0.8 CSCCC(C)(C)O 62a_100000702414_200000210301 [1,1,0,0,0,0|0,0,2]=4 3156 B7R0.8 CSCCC(C)(C)O 62a_200000210301_100000702414 [1,1,0,0,0,0|0,0,2]=4 3157 B7R0.8 CSCCS(=O)(=O)C 62a_100000731031_200000210301 [1,1,0,0,0,0|1,0,0]=3 3158 B7R0.8 CSCCS(=O)(=O)C 62a_200000210301_100000230027 [1,1,0,0,0,0|1,0,0]=3 3159 B7R0.8 CSCCS(=O)(=O)[O-] 62a_100000762736_200000210301 [1,1,0,0,0,0|1,0,1]=4 3160 B7R0.8 CSCCS(=O)(=O)[O-] 62a_200000210301_100000762736 [1,1,0,0,0,0|1,0,1]=4 3161 B7R0.8 CSCC[N+](C)(C)C 62a_100000085578_200000210301 [1,1,0,0,0,0|2,0,0]=4 3162 B7R0.8 CSCC[N+](C)(C)C 62a_200000210301_100000085578 [1,1,0,0,0,0|2,0,0]=4 3163 B7R0.8 CSCC[Si](C)(C)C 62a_200000210301_200000733723 [1,1,0,0,0,0|1,1,0]=4 3164 B7R0.8 CSCC[Si](C)(C)C 62a_200000733723_200000210301 [1,1,0,0,0,0|1,1,0]=4 3165 B7R0.8 C[N+](C)(C)CCS[13CH3] 62a_100000085578_200025704644 [1,1,0,0,0,0|2,0,0]=4 3166 B7R0.8 C[N+](C)(C)CCS[13CH3] 62a_200025704644_100000085578 [1,1,0,0,0,0|2,0,0]=4 3167 B7R0.8 C[Si](C)(C)CCS[13CH3] 62a_200000733723_200025704644 [1,1,0,0,0,0|1,1,0]=4 3168 B7R0.8 C[Si](C)(C)CCS[13CH3] 62a_200025704644_200000733723 [1,1,0,0,0,0|1,1,0]=4 3169 B7R0.8 [13CH3]SCCS(=O)(=O)[O-] 62a_100000762736_200025704644 [1,1,0,0,0,0|1,0,1]=4 3170 B7R0.8 [13CH3]SCCS(=O)(=O)[O-] 62a_200025704644_100000762736 [1,1,0,0,0,0|1,0,1]=4 3171 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [1,1,0,0,0,0|1,1,0]=4 3172 B7R0.1 C/C=C/CCOCF 34a_100016278192_100015361967 [1,1,0,0,0,0|1,1,0]=4 3173 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [1,1,0,0,0,0|2,0,0]=4 3174 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [1,1,0,0,0,0|2,0,0]=4 3175 B7R0.1 C/C=C/COCSC 34a_100016270725_100011218213 [1,1,0,0,0,0|1,0,0]=3 3176 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [1,1,0,0,0,0|2,0,0]=4 3177 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [1,1,0,0,0,0|2,0,0]=4 3178 B7R0.1 C/C=C/CSCOC 62a_100000766300_100102629194 [1,1,0,0,0,0|1,1,0]=4 3179 B7R0.1 C/C=C/CSCOC 62a_100102629194_100000766300 [1,1,0,0,0,0|1,1,0]=4 3180 B7R0.1 C/C=C/CSCSC 62a_100011218213_100102629194 [1,1,0,0,0,0|1,0,0]=3 3181 B7R0.1 C/C=C/CSCSC 62a_100102629194_100011218213 [1,1,0,0,0,0|1,0,0]=3 3182 B7R0.1 CC#CCNCSC 2230a_100000685387_100011218213 [1,1,0,0,0,0|1,0,1]=4 3183 B7R0.1 CC#CCNCSC 34a_100000685387_100011218213 [1,1,0,0,0,0|1,0,1]=4 3184 B7R0.1 CC#CCOCSC 34a_100000761923_100011218213 [1,1,0,0,0,0|1,0,1]=4 3185 B7R0.1 CC#CCSCSC 62a_100000748600_100011218213 [1,1,0,0,0,0|1,0,1]=4 3186 B7R0.1 CC#CCSCSC 62a_100011218213_100000748600 [1,1,0,0,0,0|1,0,1]=4 3187 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [1,1,0,0,0,0|2,0,0]=4 3188 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [1,1,0,0,0,0|2,0,0]=4 3189 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [1,1,0,0,0,0|2,0,0]=4 3190 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [1,1,0,0,0,0|1,1,0]=4 3191 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [1,1,0,0,0,0|1,1,0]=4 3192 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [1,1,0,0,0,0|1,1,0]=4 3193 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [1,1,0,0,0,0|1,1,0]=4 3194 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [1,1,0,0,0,0|1,1,0]=4 3195 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [1,1,0,0,0,0|1,0,0]=3 3196 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [1,1,0,0,0,0|1,0,0]=3 3197 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [1,1,0,0,0,0|1,0,0]=3 3198 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [1,1,0,0,0,0|1,0,0]=3 3199 B7R0.1 CC/C=C\CSCC 62a_100000210202_100103147603 [1,1,0,0,0,0|1,0,1]=4 3200 B7R0.1 CC/C=C\CSCC 62a_100103147603_100000210202 [1,1,0,0,0,0|1,0,1]=4 3201 B7R0.1 CC/C=C\CSCF 62a_100015361967_100103147603 [1,1,0,0,0,0|1,0,1]=4 3202 B7R0.1 CC/C=C\CSCF 62a_100103147603_100015361967 [1,1,0,0,0,0|1,0,1]=4 3203 B7R0.1 CC=C=CCCOC 34a_100011020354_200000210301 [1,1,0,0,0,0|1,1,0]=4 3204 B7R0.1 CC=C=CCCO[13CH3] 34a_100011020354_200025704644 [1,1,0,0,0,0|1,1,0]=4 3205 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [1,1,0,0,0,0|1,0,1]=4 3206 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [1,1,0,0,0,0|1,0,1]=4 3207 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [1,1,0,0,0,0|2,0,0]=4 3208 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [1,1,0,0,0,0|2,0,0]=4 3209 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [1,1,0,0,0,0|2,0,0]=4 3210 B7R0.1 CC=CCSCOC 62a_100000070051_100000766300 [1,1,0,0,0,0|1,1,0]=4 3211 B7R0.1 CC=CCSCOC 62a_100000766300_100000070051 [1,1,0,0,0,0|1,1,0]=4 3212 B7R0.1 CC=CCSCSC 62a_100000070051_100011218213 [1,1,0,0,0,0|1,0,0]=3 3213 B7R0.1 CC=CCSCSC 62a_100011218213_100000070051 [1,1,0,0,0,0|1,0,0]=3 3214 B7R0.1 CCC/C=C/COC 34a_100016278788_200000210301 [1,1,0,0,0,0|1,0,1]=4 3215 B7R0.1 CCC/C=C/COC 7a_100016278788_200000210301 [1,1,0,0,0,0|1,0,1]=4 3216 B7R0.1 CCC/C=C/CO[13CH3] 34a_100016278788_200025704644 [1,1,0,0,0,0|1,0,1]=4 3217 B7R0.1 CCC/C=C/CO[13CH3] 7a_100016278788_200025704644 [1,1,0,0,0,0|1,0,1]=4 3218 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [1,1,0,0,0,0|1,0,1]=4 3219 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [1,1,0,0,0,0|1,0,1]=4 3220 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [1,1,0,0,0,0|1,0,1]=4 3221 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [1,1,0,0,0,0|1,0,1]=4 3222 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [1,1,0,0,0,0|1,0,1]=4 3223 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [1,1,0,0,0,0|1,0,1]=4 3224 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [1,1,0,0,0,0|1,0,1]=4 3225 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [1,1,0,0,0,0|1,0,1]=4 3226 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [1,1,0,0,0,0|1,0,1]=4 3227 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [1,1,0,0,0,0|1,0,1]=4 3228 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [1,1,0,0,0,0|1,0,1]=4 3229 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [1,1,0,0,0,0|1,0,1]=4 3230 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [1,1,0,0,0,0|1,0,1]=4 3231 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [1,1,0,0,0,0|1,0,1]=4 3232 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [1,1,0,0,0,0|1,0,1]=4 3233 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [1,1,0,0,0,0|1,0,1]=4 3234 B7R0.1 CCCCCSCF 62a_100000210326_100015361967 [1,1,0,0,0,0|1,0,1]=4 3235 B7R0.1 CCCCCSCF 62a_100015361967_100000210326 [1,1,0,0,0,0|1,0,1]=4 3236 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [1,1,0,0,0,0|1,0,1]=4 3237 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [1,1,0,0,0,0|1,0,1]=4 3238 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [1,1,0,0,0,0|1,0,1]=4 3239 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [1,1,0,0,0,0|1,0,1]=4 3240 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [1,1,0,0,0,0|1,0,1]=4 3241 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [1,1,0,0,0,0|1,0,1]=4 3242 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [1,1,0,0,0,0|1,0,1]=4 3243 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [1,1,0,0,0,0|1,0,1]=4 3244 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [1,1,0,0,0,0|1,0,1]=4 3245 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [1,1,0,0,0,0|1,0,1]=4 3246 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [1,1,0,0,0,0|1,0,1]=4 3247 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [1,1,0,0,0,0|1,0,1]=4 3248 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [1,1,0,0,0,0|1,0,1]=4 3249 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [1,1,0,0,0,0|1,0,1]=4 3250 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [1,1,0,0,0,0|1,0,1]=4 3251 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [1,1,0,0,0,0|1,0,1]=4 3252 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [1,1,0,0,0,0|1,0,1]=4 3253 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [1,1,0,0,0,0|1,0,1]=4 3254 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [1,1,0,0,0,0|1,0,1]=4 3255 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [1,1,0,0,0,0|1,0,1]=4 3256 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [1,1,0,0,0,0|1,0,1]=4 3257 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [1,1,0,0,0,0|1,0,1]=4 3258 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [1,1,0,0,0,0|1,0,1]=4 3259 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [1,1,0,0,0,0|1,0,1]=4 3260 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [1,1,0,0,0,0|1,0,1]=4 3261 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [1,1,0,0,0,0|1,0,1]=4 3262 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [1,1,0,0,0,0|1,0,1]=4 3263 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [1,1,0,0,0,0|1,0,1]=4 3264 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [1,1,0,0,0,0|1,0,1]=4 3265 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [1,1,0,0,0,0|1,0,1]=4 3266 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [1,1,0,0,0,0|1,0,1]=4 3267 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [1,1,0,0,0,0|1,0,1]=4 3268 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [1,1,0,0,0,0|1,0,1]=4 3269 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [1,1,0,0,0,0|1,0,1]=4 3270 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [1,1,0,0,0,0|1,0,1]=4 3271 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [1,1,0,0,0,0|1,0,1]=4 3272 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [1,1,0,0,0,0|1,0,1]=4 3273 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [1,1,0,0,0,0|1,0,1]=4 3274 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [1,1,0,0,0,0|1,0,1]=4 3275 B7R0.1 CCNCCSCC 2230a_100000106463_100000210202 [1,1,0,0,0,0|2,0,0]=4 3276 B7R0.1 CCNCCSCC 2230a_100015525214_100000757381 [1,1,0,0,0,0|2,0,0]=4 3277 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [1,1,0,0,0,0|1,0,1]=4 3278 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [1,1,0,0,0,0|1,0,1]=4 3279 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [1,1,0,0,0,0|1,0,1]=4 3280 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [1,1,0,0,0,0|1,0,1]=4 3281 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [1,1,0,0,0,0|1,0,1]=4 3282 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [1,1,0,0,0,0|1,0,1]=4 3283 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [1,1,0,0,0,0|1,0,1]=4 3284 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [1,1,0,0,0,0|1,0,1]=4 3285 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [1,1,0,0,0,0|0,1,1]=4 3286 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [1,1,0,0,0,0|0,1,1]=4 3287 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [1,1,0,0,0,0|0,1,1]=4 3288 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [1,1,0,0,0,0|0,1,1]=4 3289 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [1,1,0,0,0,0|0,1,1]=4 3290 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [1,1,0,0,0,0|0,1,1]=4 3291 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [1,1,0,0,0,0|0,1,1]=4 3292 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [1,1,0,0,0,0|0,0,1]=3 3293 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [1,1,0,0,0,0|0,0,1]=3 3294 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [1,1,0,0,0,0|0,0,1]=3 3295 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [1,1,0,0,0,0|0,0,1]=3 3296 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [1,1,0,0,0,0|0,0,1]=3 3297 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [1,1,0,0,0,0|0,0,1]=3 3298 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [1,1,0,0,0,0|2,0,0]=4 3299 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [1,1,0,0,0,0|2,0,0]=4 3300 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [1,1,0,0,0,0|2,0,0]=4 3301 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [1,1,0,0,0,0|2,0,0]=4 3302 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [1,1,0,0,0,0|2,0,0]=4 3303 B7R0.1 CCOCCSCF 62a_100000210147_100015361967 [1,1,0,0,0,0|2,0,0]=4 3304 B7R0.1 CCOCCSCF 62a_100015361967_100011215890 [1,1,0,0,0,0|2,0,0]=4 3305 B7R0.1 CCOCSCSC 62a_100000739092_100011218213 [1,1,0,0,0,0|1,0,1]=4 3306 B7R0.1 CCOCSCSC 62a_100011218213_100000739092 [1,1,0,0,0,0|1,0,1]=4 3307 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [1,1,0,0,0,0|0,0,1]=3 3308 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [1,1,0,0,0,0|0,0,1]=3 3309 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [1,1,0,0,0,0|0,0,1]=3 3310 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [1,1,0,0,0,0|0,0,1]=3 3311 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [1,1,0,0,0,0|0,0,1]=3 3312 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [1,1,0,0,0,0|0,0,1]=3 3313 B7R0.1 CCSCCSCC 62a_100000210202_100000757381 [1,1,0,0,0,0|2,0,0]=4 3314 B7R0.1 CCSCCSCC 62a_100000757381_100000210202 [1,1,0,0,0,0|2,0,0]=4 3315 B7R0.1 CCSCCSCF 62a_100000757381_100015361967 [1,1,0,0,0,0|2,0,0]=4 3316 B7R0.1 CCSCCSCF 62a_100015361967_100000757381 [1,1,0,0,0,0|2,0,0]=4 3317 B7R0.1 CNCCCCOC 2230a_106832991635_100000730899 [1,1,0,0,0,0|1,0,1]=4 3318 B7R0.1 CNCCCCOC 34a_100102657272_100000755781 [1,1,0,0,0,0|1,0,1]=4 3319 B7R0.1 CNCCCCOC 7a_106832991635_100000730899 [1,1,0,0,0,0|1,0,1]=4 3320 B7R0.1 CNCCCOCF 34a_100000213112_100015361967 [1,1,0,0,0,0|1,0,1]=4 3321 B7R0.1 CNCOCCOC 2230a_106832991635_100000231047 [1,1,0,0,0,0|1,0,1]=4 3322 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [1,1,0,0,0,0|1,0,1]=4 3323 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [1,1,0,0,0,0|1,0,1]=4 3324 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [1,1,0,0,0,0|1,0,1]=4 3325 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [1,1,0,0,0,0|1,0,1]=4 3326 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [1,1,0,0,0,0|1,0,1]=4 3327 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [1,1,0,0,0,0|1,0,1]=4 3328 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [1,1,0,0,0,0|1,0,1]=4 3329 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [1,1,0,0,0,0|1,0,1]=4 3330 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [1,1,0,0,0,0|1,0,1]=4 3331 B7R0.1 COCCCCOC 34a_100000740925_200000210301 [1,1,0,0,0,0|0,1,1]=4 3332 B7R0.1 COCCCCOC 34a_100138415774_100000755781 [1,1,0,0,0,0|0,1,1]=4 3333 B7R0.1 COCCCCO[13CH3] 34a_100000740925_200025704644 [1,1,0,0,0,0|0,1,1]=4 3334 B7R0.1 COCCCCSC 34a_100011217163_200000210301 [1,1,0,0,0,0|0,0,1]=3 3335 B7R0.1 COCCCCSC 62a_100000730899_200000210301 [1,1,0,0,0,0|0,0,1]=3 3336 B7R0.1 COCCCCSC 62a_200000210301_100000730899 [1,1,0,0,0,0|0,0,1]=3 3337 B7R0.1 COCCCCSC 7a_100011217163_200000210301 [1,1,0,0,0,0|0,0,1]=3 3338 B7R0.1 COCCCCS[13CH3] 62a_100000730899_200025704644 [1,1,0,0,0,0|0,0,1]=3 3339 B7R0.1 COCCCCS[13CH3] 62a_200025704644_100000730899 [1,1,0,0,0,0|0,0,1]=3 3340 B7R0.1 COCCCNCF 34a_100150723488_100015361967 [1,1,0,0,0,0|1,0,1]=4 3341 B7R0.1 COCCCOCF 34a_100000740835_100015361967 [1,1,0,0,0,0|0,1,1]=4 3342 B7R0.1 COCCCSCF 62a_100000709357_100015361967 [1,1,0,0,0,0|0,0,1]=3 3343 B7R0.1 COCCCSCF 62a_100015361967_100000709357 [1,1,0,0,0,0|0,0,1]=3 3344 B7R0.1 COCCNCOC 2230a_100000209980_100000766300 [1,1,0,0,0,0|0,1,1]=4 3345 B7R0.1 COCCNCSC 2230a_100000209980_100011218213 [1,1,0,0,0,0|0,0,1]=3 3346 B7R0.1 COCCOCSC 34a_100000210237_100011218213 [1,1,0,0,0,0|0,0,1]=3 3347 B7R0.1 COCCOCSC 62a_100000231047_200000210301 [1,1,0,0,0,0|0,0,1]=3 3348 B7R0.1 COCCOCSC 62a_200000210301_100000231047 [1,1,0,0,0,0|0,0,1]=3 3349 B7R0.1 COCCOCS[13CH3] 62a_100000231047_200025704644 [1,1,0,0,0,0|0,0,1]=3 3350 B7R0.1 COCCOCS[13CH3] 62a_200025704644_100000231047 [1,1,0,0,0,0|0,0,1]=3 3351 B7R0.1 COCCSCOC 62a_100000233755_100000766300 [1,1,0,0,0,0|0,1,1]=4 3352 B7R0.1 COCCSCOC 62a_100000766300_100000233755 [1,1,0,0,0,0|0,1,1]=4 3353 B7R0.1 COCCSCSC 62a_100000233755_100011218213 [1,1,0,0,0,0|0,0,1]=3 3354 B7R0.1 COCCSCSC 62a_100011218213_100000233755 [1,1,0,0,0,0|0,0,1]=3 3355 B7R0.1 COCNCCSC 2230a_100020590264_100000766300 [1,1,0,0,0,0|0,0,1]=3 3356 B7R0.1 COCSCCSC 62a_100000212216_100000766300 [1,1,0,0,0,0|0,0,1]=3 3357 B7R0.1 COCSCCSC 62a_100000766300_100000751147 [1,1,0,0,0,0|0,0,1]=3 3358 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [1,1,0,0,0,0|1,0,1]=4 3359 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [1,1,0,0,0,0|1,0,1]=4 3360 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [1,1,0,0,0,0|1,0,1]=4 3361 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [1,1,0,0,0,0|1,0,1]=4 3362 B7R0.1 CSCCCCO[13CH3] 34a_100011217163_200025704644 [1,1,0,0,0,0|0,0,1]=3 3363 B7R0.1 CSCCCCO[13CH3] 7a_100011217163_200025704644 [1,1,0,0,0,0|0,0,1]=3 3364 B7R0.1 CSCCCOCF 34a_100000690336_100015361967 [1,1,0,0,0,0|0,0,1]=3 3365 B7R0.1 CSCCCOCF 7a_100000690336_100015361967 [1,1,0,0,0,0|0,0,1]=3 3366 B7R0.1 CSCCNCCF 2230a_100020590264_100011217306 [1,1,0,0,0,0|2,0,0]=4 3367 B7R0.1 CSCCNCCF 34a_100000724931_100000212216 [1,1,0,0,0,0|2,0,0]=4 3368 B7R0.1 CSCCNCCO 2230a_100016997473_100000751147 [1,1,0,0,0,0|2,0,0]=4 3369 B7R0.1 CSCCNCCO 2230a_100020590264_100000211926 [1,1,0,0,0,0|2,0,0]=4 3370 B7R0.1 CSCCNCCO 34a_100016990907_100000212216 [1,1,0,0,0,0|2,0,0]=4 3371 B7R0.1 CSCCNCSC 2230a_100020590264_100011218213 [1,1,0,0,0,0|0,1,1]=4 3372 B7R0.1 CSCCOCCBr 34a_100000211926_100000212216 [1,1,0,0,0,0|2,0,0]=4 3373 B7R0.1 CSCCOCCF 34a_100000230434_100011217306 [1,1,0,0,0,0|2,0,0]=4 3374 B7R0.1 CSCCOCCF 7a_100000230434_100011217306 [1,1,0,0,0,0|2,0,0]=4 3375 B7R0.1 CSCCOCCN 34a_100000210304_100000212216 [1,1,0,0,0,0|2,0,0]=4 3376 B7R0.1 CSCCOCCO 34a_100000230434_100000211926 [1,1,0,0,0,0|2,0,0]=4 3377 B7R0.1 CSCCOCCO 62a_100011215305_200000210301 [1,1,0,0,0,0|2,0,0]=4 3378 B7R0.1 CSCCOCCO 62a_200000210301_100011215305 [1,1,0,0,0,0|2,0,0]=4 3379 B7R0.1 CSCCOCCO 7a_100000230434_100000211926 [1,1,0,0,0,0|2,0,0]=4 3380 B7R0.1 CSCCOCSC 34a_100000230434_100011218213 [1,1,0,0,0,0|0,1,1]=4 3381 B7R0.1 CSCCSCCF 62a_100000212216_100011217306 [1,1,0,0,0,0|2,0,0]=4 3382 B7R0.1 CSCCSCCF 62a_100011217306_100000751147 [1,1,0,0,0,0|2,0,0]=4 3383 B7R0.1 CSCCSCCO 62a_100000211926_100000751147 [1,1,0,0,0,0|2,0,0]=4 3384 B7R0.1 CSCCSCCO 62a_100000212216_100000211926 [1,1,0,0,0,0|2,0,0]=4 3385 B7R0.1 CSCCSCSC 62a_100000212216_100011218213 [1,1,0,0,0,0|0,1,1]=4 3386 B7R0.1 CSCCSCSC 62a_100011218213_100000751147 [1,1,0,0,0,0|0,1,1]=4 3387 B7R0.1 CSCOCCON 34a_100000700252_100011218213 [1,1,0,0,0,0|1,0,1]=4 3388 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [1,1,0,0,0,0|1,0,1]=4 3389 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [1,1,0,0,0,0|1,0,1]=4 3390 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [1,1,0,0,0,0|1,0,1]=4 3391 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [1,1,0,0,0,0|1,0,1]=4 3392 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [1,1,0,0,0,0|1,0,1]=4 3393 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [1,1,0,0,0,0|1,0,1]=4 3394 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [1,1,0,0,0,0|1,0,1]=4 3395 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [1,1,0,0,0,0|1,0,1]=4 3396 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [1,1,0,0,0,0|1,0,1]=4 3397 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [1,1,0,0,0,0|1,0,1]=4 3398 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [1,1,0,0,0,0|1,0,1]=4 3399 B7R0.1 [13CH3]SCCOCCO 62a_100011215305_200025704644 [1,1,0,0,0,0|2,0,0]=4 3400 B7R0.1 [13CH3]SCCOCCO 62a_200025704644_100011215305 [1,1,0,0,0,0|2,0,0]=4 3401 B9R0.4 C=C(C)CC(=O)CCCC 1458a_100000210183_100000748629 [0,2,0,0,0,0|2,0,0]=4 3402 B9R0.4 C=C(C)CC(=O)CCOC 1458a_100000749529_100000748629 [0,2,0,0,0,0|1,1,0]=4 3403 B9R0.4 C=C(C)CC(=O)CCSC 1458a_100000174002_100000748629 [0,2,0,0,0,0|1,0,0]=3 3404 B9R0.4 C=C(F)CC(=O)CCSC 1458a_100000174002_100009893438 [0,2,0,0,0,0|1,0,1]=4 3405 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_100000737564_200025704644 [0,2,0,0,0,0|1,0,0]=3 3406 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_200025704644_100000737564 [0,2,0,0,0,0|1,0,0]=3 3407 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_100000760027_200025704644 [0,2,0,0,0,0|0,0,0]=2 3408 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_200025704644_100000760027 [0,2,0,0,0,0|0,0,0]=2 3409 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_100000003507_200025704644 [0,2,0,0,0,0|1,0,0]=3 3410 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_200025704644_100000003507 [0,2,0,0,0,0|1,0,0]=3 3411 B9R0.4 CCCCC(=O)C=C(C)C 1458a_100000211388_100000210211 [0,2,0,0,0,0|2,0,0]=4 3412 B9R0.4 CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210211 [0,2,0,0,0,0|2,0,0]=4 3413 B9R0.4 CCCCC(=O)C=C(C)I 1458a_100025716642_100000210211 [0,2,0,0,0,0|2,0,0]=4 3414 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210183_100000210624 [0,2,0,0,0,0|2,0,0]=4 3415 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210554_100000210211 [0,2,0,0,0,0|2,0,0]=4 3416 B9R0.4 CCCCC(=O)CC(C)O 1458a_100000210183_100011218427 [0,2,0,0,0,0|2,0,0]=4 3417 B9R0.4 CCCCC(=O)CC(F)F 1458a_100000210183_100011934356 [0,2,0,0,0,0|2,0,0]=4 3418 B9R0.4 CCCCC(=O)CN(C)C 1458a_100000750896_100000210211 [0,2,0,0,0,0|2,0,0]=4 3419 B9R0.4 CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210211 [0,2,0,0,0,0|2,0,0]=4 3420 B9R0.4 CCCCC(=O)C[S+](C)C 1458a_200159257847_100000210211 [0,2,0,0,0,0|1,1,0]=4 3421 B9R0.4 CCCCC(=O)NC(C)C 11a_100138425928_100000210183 [0,2,0,0,0,0|2,0,0]=4 3422 B9R0.4 CCCCC(=O)NC(C)C 1626a_100138425928_100000210183 [0,2,0,0,0,0|2,0,0]=4 3423 B9R0.4 CCCCC(=O)NC(C)C 240690a_100138425928_100000210183 [0,2,0,0,0,0|2,0,0]=4 3424 B9R0.4 CCCCC(=O)NC(C)C 527a_100138425928_100000210183 [0,2,0,0,0,0|2,0,0]=4 3425 B9R0.4 CCNCC(=O)OC(C)C 2230a_100015525214_100011215430 [0,2,0,0,0,0|2,0,0]=4 3426 B9R0.4 CCOCC(=O)OC(C)C 34a_100121572206_100011215430 [0,2,0,0,0,0|2,0,0]=4 3427 B9R0.4 CCSCC(=O)OC(C)C 62a_100000210202_100011215430 [0,2,0,0,0,0|2,0,0]=4 3428 B9R0.4 CCSCC(=O)OC(C)C 62a_100011215430_100000210202 [0,2,0,0,0,0|2,0,0]=4 3429 B9R0.4 CNCCC(=O)NC(C)C 2230a_106832991635_100000737564 [0,2,0,0,0,0|2,0,0]=4 3430 B9R0.4 CNCCC(=O)NC(C)C 7a_106832991635_100000737564 [0,2,0,0,0,0|2,0,0]=4 3431 B9R0.4 CNCCC(=O)OC(C)C 2230a_106832991635_100000760027 [0,2,0,0,0,0|1,0,0]=3 3432 B9R0.4 CNCCC(=O)OC(C)C 7a_106832991635_100000760027 [0,2,0,0,0,0|1,0,0]=3 3433 B9R0.4 COCCC(=O)C=C(C)C 1458a_100000211388_100000233755 [0,2,0,0,0,0|1,1,0]=4 3434 B9R0.4 COCCC(=O)C=C(C)Cl 1458a_200042562850_100000233755 [0,2,0,0,0,0|1,1,0]=4 3435 B9R0.4 COCCC(=O)C=C(C)I 1458a_100025716642_100000233755 [0,2,0,0,0,0|1,1,0]=4 3436 B9R0.4 COCCC(=O)CC(C)C 1458a_100000210554_100000233755 [0,2,0,0,0,0|1,1,0]=4 3437 B9R0.4 COCCC(=O)CC(C)C 1458a_100000749529_100000210624 [0,2,0,0,0,0|1,1,0]=4 3438 B9R0.4 COCCC(=O)CC(C)O 1458a_100000749529_100011218427 [0,2,0,0,0,0|1,1,0]=4 3439 B9R0.4 COCCC(=O)CC(F)F 1458a_100000749529_100011934356 [0,2,0,0,0,0|1,1,0]=4 3440 B9R0.4 COCCC(=O)CN(C)C 1458a_100000750896_100000233755 [0,2,0,0,0,0|1,1,0]=4 3441 B9R0.4 COCCC(=O)C[C@@H](C)O 1458a_100011933948_100000233755 [0,2,0,0,0,0|1,1,0]=4 3442 B9R0.4 COCCC(=O)C[S+](C)C 1458a_200159257847_100000233755 [0,2,0,0,0,0|0,2,0]=4 3443 B9R0.4 COCCC(=O)NC(C)C 11a_100138425928_100000749529 [0,2,0,0,0,0|1,1,0]=4 3444 B9R0.4 COCCC(=O)NC(C)C 1626a_100138425928_100000749529 [0,2,0,0,0,0|1,1,0]=4 3445 B9R0.4 COCCC(=O)NC(C)C 240690a_100138425928_100000749529 [0,2,0,0,0,0|1,1,0]=4 3446 B9R0.4 COCCC(=O)NC(C)C 527a_100138425928_100000749529 [0,2,0,0,0,0|1,1,0]=4 3447 B9R0.4 CSCCC(=O)C=C(C)C 1458a_100000211388_100000751147 [0,2,0,0,0,0|1,0,0]=3 3448 B9R0.4 CSCCC(=O)C=C(C)Cl 1458a_200042562850_100000751147 [0,2,0,0,0,0|1,0,0]=3 3449 B9R0.4 CSCCC(=O)C=C(C)I 1458a_100025716642_100000751147 [0,2,0,0,0,0|1,0,0]=3 3450 B9R0.4 CSCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000751147 [0,2,0,0,0,0|1,0,1]=4 3451 B9R0.4 CSCCC(=O)CC(=O)N 1458a_100000174002_100000187820 [0,2,0,0,0,0|1,0,1]=4 3452 B9R0.4 CSCCC(=O)CC(=O)N 1458a_100134613110_100000751147 [0,2,0,0,0,0|1,0,1]=4 3453 B9R0.4 CSCCC(=O)CC(=O)[O-] 1458a_100000174002_100020667443 [0,2,0,0,0,0|1,0,1]=4 3454 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000174002_100000210624 [0,2,0,0,0,0|1,0,0]=3 3455 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000210554_100000751147 [0,2,0,0,0,0|1,0,0]=3 3456 B9R0.4 CSCCC(=O)CC(C)O 1458a_100000174002_100011218427 [0,2,0,0,0,0|1,0,0]=3 3457 B9R0.4 CSCCC(=O)CC(F)F 1458a_100000174002_100011934356 [0,2,0,0,0,0|1,0,0]=3 3458 B9R0.4 CSCCC(=O)CN(C)C 1458a_100000750896_100000751147 [0,2,0,0,0,0|1,0,0]=3 3459 B9R0.4 CSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000751147 [0,2,0,0,0,0|1,0,0]=3 3460 B9R0.4 CSCCC(=O)C[N+](=O)[O-] 1458a_100000174002_100000761209 [0,2,0,0,0,0|2,0,0]=4 3461 B9R0.4 CSCCC(=O)C[S+](C)C 1458a_200159257847_100000751147 [0,2,0,0,0,0|0,1,0]=3 3462 B9R0.4 CSCCC(=O)NC(=O)N 62a_200000210301_100000237605 [0,2,0,0,0,0|1,0,1]=4 3463 B9R0.4 CSCCC(=O)NC(C)C 11a_100138425928_100000174002 [0,2,0,0,0,0|1,0,0]=3 3464 B9R0.4 CSCCC(=O)NC(C)C 1626a_100138425928_100000174002 [0,2,0,0,0,0|1,0,0]=3 3465 B9R0.4 CSCCC(=O)NC(C)C 240690a_100138425928_100000174002 [0,2,0,0,0,0|1,0,0]=3 3466 B9R0.4 CSCCC(=O)NC(C)C 527a_100138425928_100000174002 [0,2,0,0,0,0|1,0,0]=3 3467 B9R0.4 CSCCC(=O)NC(C)C 62a_100000737564_200000210301 [0,2,0,0,0,0|1,0,0]=3 3468 B9R0.4 CSCCC(=O)NC(C)C 62a_200000210301_100000737564 [0,2,0,0,0,0|1,0,0]=3 3469 B9R0.4 CSCCC(=O)OC(C)C 62a_100000760027_200000210301 [0,2,0,0,0,0|0,0,0]=2 3470 B9R0.4 CSCCC(=O)OC(C)C 62a_200000210301_100000760027 [0,2,0,0,0,0|0,0,0]=2 3471 B9R0.4 CSCOC(=O)OC(C)C 62a_100000003507_200000210301 [0,2,0,0,0,0|1,0,0]=3 3472 B9R0.4 CSCOC(=O)OC(C)C 62a_200000210301_100000003507 [0,2,0,0,0,0|1,0,0]=3 3473 B9R0.4 [13CH3]SCCC(=O)NC(=O)N 62a_200025704644_100000237605 [0,2,0,0,0,0|1,0,1]=4 3474 B9R0.5 C#CCC(=O)CCCSC 1458a_100000173376_100000184674 [0,2,0,0,0,0|1,0,1]=4 3475 B9R0.5 C#CCC(=O)CCSCC 1458a_100000230768_100000184674 [0,2,0,0,0,0|1,0,1]=4 3476 B9R0.5 C#CCC(=O)CCSCC 1458a_100011220946_100000757381 [0,2,0,0,0,0|1,0,1]=4 3477 B9R0.5 C#CCC(=O)NCCSC 1626a_100020590264_100011220946 [0,2,0,0,0,0|1,0,1]=4 3478 B9R0.5 C#CCC(=O)NCCSC 527a_100020590264_100011220946 [0,2,0,0,0,0|1,0,1]=4 3479 B9R0.5 C#CCCCC(=O)COC 1458a_100000210968_100000731252 [0,2,0,0,0,0|1,0,1]=4 3480 B9R0.5 C#CCCNC(=O)COC 11a_100000755551_100000210968 [0,2,0,0,0,0|1,0,1]=4 3481 B9R0.5 C#CCCNC(=O)COC 1626a_100000755551_100000210968 [0,2,0,0,0,0|1,0,1]=4 3482 B9R0.5 C#CCCNC(=O)COC 240690a_100000755551_100000210968 [0,2,0,0,0,0|1,0,1]=4 3483 B9R0.5 C#CCCNC(=O)COC 527a_100000755551_100000210968 [0,2,0,0,0,0|1,0,1]=4 3484 B9R0.5 C#CCNCC(=O)OCC 34a_100000212058_100000188475 [0,2,0,0,0,0|1,0,1]=4 3485 B9R0.5 C#CCOCC(=O)OCC 34a_100000210247_100000188475 [0,2,0,0,0,0|1,0,1]=4 3486 B9R0.5 C#CCSCC(=O)OCC 62a_100000038162_100000188475 [0,2,0,0,0,0|1,0,1]=4 3487 B9R0.5 C=CCC(=O)CCCSC 1458a_100000173376_100000210623 [0,2,0,0,0,0|1,0,1]=4 3488 B9R0.5 C=CCC(=O)CCSCC 1458a_100000210193_100000757381 [0,2,0,0,0,0|1,0,1]=4 3489 B9R0.5 C=CCC(=O)CCSCC 1458a_100000230768_100000210623 [0,2,0,0,0,0|1,0,1]=4 3490 B9R0.5 C=CCC(=O)NCCSC 11a_100020590264_100000210193 [0,2,0,0,0,0|1,0,1]=4 3491 B9R0.5 C=CCC(=O)NCCSC 1626a_100020590264_100000210193 [0,2,0,0,0,0|1,0,1]=4 3492 B9R0.5 C=CCC(=O)NCCSC 240690a_100020590264_100000210193 [0,2,0,0,0,0|1,0,1]=4 3493 B9R0.5 C=CCC(=O)NCCSC 527a_100020590264_100000210193 [0,2,0,0,0,0|1,0,1]=4 3494 B9R0.5 C=CCCCC(=O)COC 1458a_100000210968_100000757094 [0,2,0,0,0,0|1,0,1]=4 3495 B9R0.5 C=CCCNC(=O)COC 11a_100015191253_100000210968 [0,2,0,0,0,0|1,0,1]=4 3496 B9R0.5 C=CCCNC(=O)COC 1626a_100015191253_100000210968 [0,2,0,0,0,0|1,0,1]=4 3497 B9R0.5 C=CCCNC(=O)COC 240690a_100015191253_100000210968 [0,2,0,0,0,0|1,0,1]=4 3498 B9R0.5 C=CCCNC(=O)COC 527a_100015191253_100000210968 [0,2,0,0,0,0|1,0,1]=4 3499 B9R0.5 C=CCNCC(=O)OCC 2230a_100020586998_100000188475 [0,2,0,0,0,0|1,0,1]=4 3500 B9R0.5 C=CCOCC(=O)OCC 34a_200000210373_100000188475 [0,2,0,0,0,0|1,0,1]=4 3501 B9R0.5 C=CCSCC(=O)OCC 62a_100000188475_100000210623 [0,2,0,0,0,0|1,0,1]=4 3502 B9R0.5 C=CCSCC(=O)OCC 62a_100000210623_100000188475 [0,2,0,0,0,0|1,0,1]=4 3503 B9R0.5 C=COC(=O)COCCC 34a_100000210258_100000036128 [0,2,0,0,0,0|1,0,1]=4 3504 B9R0.5 C=COC(=O)CSCCC 62a_100000036128_100000210303 [0,2,0,0,0,0|1,0,1]=4 3505 B9R0.5 C=COC(=O)CSCCC 62a_100000210303_100000036128 [0,2,0,0,0,0|1,0,1]=4 3506 B9R0.5 C=COC(=O)CSCOC 62a_100000036128_100000766300 [0,2,0,0,0,0|0,1,1]=4 3507 B9R0.5 C=COC(=O)CSCOC 62a_100000766300_100000036128 [0,2,0,0,0,0|0,1,1]=4 3508 B9R0.5 C=COC(=O)CSCSC 62a_100000036128_100011218213 [0,2,0,0,0,0|0,0,1]=3 3509 B9R0.5 C=COC(=O)CSCSC 62a_100011218213_100000036128 [0,2,0,0,0,0|0,0,1]=3 3510 B9R0.5 C=COCCC(=O)COC 1458a_100000210968_100000039644 [0,2,0,0,0,0|0,1,1]=4 3511 B9R0.5 CC#CC(=O)CCCCC 1458a_100000763181_100000210326 [0,2,0,0,0,0|2,0,0]=4 3512 B9R0.5 CC#CC(=O)CCCCF 1458a_100000763181_100000729493 [0,2,0,0,0,0|2,0,0]=4 3513 B9R0.5 CC#CC(=O)CCCCO 1458a_100000763181_100000210776 [0,2,0,0,0,0|2,0,0]=4 3514 B9R0.5 CC#CC(=O)CCCOC 1458a_100000763181_100000740836 [0,2,0,0,0,0|1,1,0]=4 3515 B9R0.5 CC#CC(=O)CCOCC 1458a_100000763181_100011215890 [0,2,0,0,0,0|1,1,0]=4 3516 B9R0.5 CC#CC(=O)CCSCC 1458a_100000763181_100000757381 [0,2,0,0,0,0|1,0,0]=3 3517 B9R0.5 CC#CCNC(=O)COC 11a_100000685387_100000210968 [0,2,0,0,0,0|1,0,1]=4 3518 B9R0.5 CC#CCNC(=O)COC 1626a_100000685387_100000210968 [0,2,0,0,0,0|1,0,1]=4 3519 B9R0.5 CC#CCNC(=O)COC 527a_100000685387_100000210968 [0,2,0,0,0,0|1,0,1]=4 3520 B9R0.5 CC/C=C\CC(=O)COC 1458a_100000210968_100103147603 [0,2,0,0,0,0|1,0,1]=4 3521 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [0,2,0,0,0,0|2,0,0]=4 3522 B9R0.5 CC=CC(=O)CCCCF 1458a_100000210699_100000729493 [0,2,0,0,0,0|2,0,0]=4 3523 B9R0.5 CC=CC(=O)CCCCO 1458a_100000210699_100000210776 [0,2,0,0,0,0|2,0,0]=4 3524 B9R0.5 CC=CC(=O)CCCOC 1458a_100000210699_100000740836 [0,2,0,0,0,0|1,1,0]=4 3525 B9R0.5 CC=CC(=O)CCOCC 1458a_100000210699_100011215890 [0,2,0,0,0,0|1,1,0]=4 3526 B9R0.5 CC=CC(=O)CCSCC 1458a_100000210699_100000757381 [0,2,0,0,0,0|1,0,0]=3 3527 B9R0.5 CC=CC(=O)NCCCC 11a_100000102301_100000210699 [0,2,0,0,0,0|2,0,0]=4 3528 B9R0.5 CC=CC(=O)NCCCC 1626a_100000102301_100000210699 [0,2,0,0,0,0|2,0,0]=4 3529 B9R0.5 CC=CC(=O)NCCCC 240690a_100000102301_100000210699 [0,2,0,0,0,0|2,0,0]=4 3530 B9R0.5 CC=CC(=O)NCCOC 1626a_100000209980_100000210699 [0,2,0,0,0,0|1,1,0]=4 3531 B9R0.5 CC=CC(=O)NCCOC 240690a_100000209980_100000210699 [0,2,0,0,0,0|1,1,0]=4 3532 B9R0.5 CC=CC(=O)NCCSC 11a_100020590264_100000210699 [0,2,0,0,0,0|1,0,0]=3 3533 B9R0.5 CC=CC(=O)NCCSC 1626a_100020590264_100000210699 [0,2,0,0,0,0|1,0,0]=3 3534 B9R0.5 CC=CC(=O)NCCSC 240690a_100020590264_100000210699 [0,2,0,0,0,0|1,0,0]=3 3535 B9R0.5 CCC#CCC(=O)COC 1458a_100000210968_100009813939 [0,2,0,0,0,0|1,0,1]=4 3536 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [0,2,0,0,0,0|2,0,0]=4 3537 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [0,2,0,0,0,0|2,0,0]=4 3538 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [0,2,0,0,0,0|2,0,0]=4 3539 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [0,2,0,0,0,0|1,1,0]=4 3540 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [0,2,0,0,0,0|1,1,0]=4 3541 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [0,2,0,0,0,0|1,0,0]=3 3542 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [0,2,0,0,0,0|1,1,0]=4 3543 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [0,2,0,0,0,0|1,1,0]=4 3544 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [0,2,0,0,0,0|1,0,0]=3 3545 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [0,2,0,0,0,0|1,0,0]=3 3546 B9R0.5 CCCC(=O)CSCOC 62a_100000747444_100000766300 [0,2,0,0,0,0|1,1,0]=4 3547 B9R0.5 CCCC(=O)CSCOC 62a_100000766300_100000747444 [0,2,0,0,0,0|1,1,0]=4 3548 B9R0.5 CCCC(=O)CSCSC 62a_100000747444_100011218213 [0,2,0,0,0,0|1,0,0]=3 3549 B9R0.5 CCCC(=O)CSCSC 62a_100011218213_100000747444 [0,2,0,0,0,0|1,0,0]=3 3550 B9R0.5 CCCC(=O)NCCOC 1626a_100000209980_100000211992 [0,2,0,0,0,0|1,1,0]=4 3551 B9R0.5 CCCC(=O)NCCOC 240690a_100000209980_100000211992 [0,2,0,0,0,0|1,1,0]=4 3552 B9R0.5 CCCC(=O)NCCOC 527a_100000209980_100000211992 [0,2,0,0,0,0|1,1,0]=4 3553 B9R0.5 CCCC(=O)NCCSC 11a_100020590264_100000211992 [0,2,0,0,0,0|1,0,0]=3 3554 B9R0.5 CCCC(=O)NCCSC 1626a_100020590264_100000211992 [0,2,0,0,0,0|1,0,0]=3 3555 B9R0.5 CCCC(=O)NCCSC 240690a_100020590264_100000211992 [0,2,0,0,0,0|1,0,0]=3 3556 B9R0.5 CCCC(=O)NCCSC 527a_100020590264_100000211992 [0,2,0,0,0,0|1,0,0]=3 3557 B9R0.5 CCCC(=O)OCSCC 62a_100000210202_100000034017 [0,2,0,0,0,0|2,0,0]=4 3558 B9R0.5 CCCC(=O)OCSCF 62a_100015361967_100000034017 [0,2,0,0,0,0|2,0,0]=4 3559 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [0,2,0,0,0,0|2,0,0]=4 3560 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [0,2,0,0,0,0|2,0,0]=4 3561 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [0,2,0,0,0,0|2,0,0]=4 3562 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [0,2,0,0,0,0|2,0,0]=4 3563 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [0,2,0,0,0,0|2,0,0]=4 3564 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [0,2,0,0,0,0|2,0,0]=4 3565 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [0,2,0,0,0,0|2,0,0]=4 3566 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [0,2,0,0,0,0|2,0,0]=4 3567 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [0,2,0,0,0,0|1,0,0]=3 3568 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [0,2,0,0,0,0|1,0,0]=3 3569 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [0,2,0,0,0,0|1,1,0]=4 3570 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [0,2,0,0,0,0|1,1,0]=4 3571 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [0,2,0,0,0,0|1,1,0]=4 3572 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [0,2,0,0,0,0|1,1,0]=4 3573 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [0,2,0,0,0,0|1,1,0]=4 3574 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [0,2,0,0,0,0|2,0,0]=4 3575 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [0,2,0,0,0,0|2,0,0]=4 3576 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [0,2,0,0,0,0|2,0,0]=4 3577 B9R0.5 CCCCCC(=O)NNC 22a_100016993582_100000212188 [0,2,0,0,0,0|2,0,0]=4 3578 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [0,2,0,0,0,0|2,0,0]=4 3579 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [0,2,0,0,0,0|2,0,0]=4 3580 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [0,2,0,0,0,0|2,0,0]=4 3581 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [0,2,0,0,0,0|2,0,0]=4 3582 B9R0.5 CCCCNC(=O)CCO 240690a_100000102301_100011216618 [0,2,0,0,0,0|2,0,0]=4 3583 B9R0.5 CCCCNC(=O)CNC 2230a_106832991635_100000182744 [0,2,0,0,0,0|2,0,0]=4 3584 B9R0.5 CCCCNC(=O)CNC 34a_100102657272_100000182744 [0,2,0,0,0,0|2,0,0]=4 3585 B9R0.5 CCCCNC(=O)CNC 7a_106832991635_100000182744 [0,2,0,0,0,0|2,0,0]=4 3586 B9R0.5 CCCCNC(=O)COC 11a_100000102301_100000210968 [0,2,0,0,0,0|1,0,0]=3 3587 B9R0.5 CCCCNC(=O)COC 1626a_100000102301_100000210968 [0,2,0,0,0,0|1,0,0]=3 3588 B9R0.5 CCCCNC(=O)COC 240690a_100000102301_100000210968 [0,2,0,0,0,0|1,0,0]=3 3589 B9R0.5 CCCCNC(=O)COC 34a_100138415774_100000182744 [0,2,0,0,0,0|1,0,0]=3 3590 B9R0.5 CCCCNC(=O)COC 527a_100000102301_100000210968 [0,2,0,0,0,0|1,0,0]=3 3591 B9R0.5 CCCCNC(=O)CSC 11a_100000102301_100000184570 [0,2,0,0,0,0|1,1,0]=4 3592 B9R0.5 CCCCNC(=O)CSC 1626a_100000102301_100000184570 [0,2,0,0,0,0|1,1,0]=4 3593 B9R0.5 CCCCNC(=O)CSC 240690a_100000102301_100000184570 [0,2,0,0,0,0|1,1,0]=4 3594 B9R0.5 CCCCNC(=O)CSC 527a_100000102301_100000184570 [0,2,0,0,0,0|1,1,0]=4 3595 B9R0.5 CCCCNC(=O)CSC 62a_100000182744_200000210301 [0,2,0,0,0,0|1,1,0]=4 3596 B9R0.5 CCCCNC(=O)CSC 62a_200000210301_100000182744 [0,2,0,0,0,0|1,1,0]=4 3597 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_100000182744_200025704644 [0,2,0,0,0,0|1,1,0]=4 3598 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_200025704644_100000182744 [0,2,0,0,0,0|1,1,0]=4 3599 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [0,2,0,0,0,0|2,0,0]=4 3600 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [0,2,0,0,0,0|2,0,0]=4 3601 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [0,2,0,0,0,0|2,0,0]=4 3602 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [0,2,0,0,0,0|2,0,0]=4 3603 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [0,2,0,0,0,0|2,0,0]=4 3604 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [0,2,0,0,0,0|2,0,0]=4 3605 B9R0.5 CCCCNC(=O)NNC 273464a_100000102301_100016993582 [0,2,0,0,0,0|2,0,0]=4 3606 B9R0.5 CCCCNC(=O)NNC 512a_100000102301_100016993582 [0,2,0,0,0,0|2,0,0]=4 3607 B9R0.5 CCCCNC(=O)NNC 512a_100016993582_100000102301 [0,2,0,0,0,0|2,0,0]=4 3608 B9R0.5 CCCCOC(=O)CNC 2230a_106832991635_100000211628 [0,2,0,0,0,0|2,0,0]=4 3609 B9R0.5 CCCCOC(=O)CNC 34a_100102657272_100000211628 [0,2,0,0,0,0|2,0,0]=4 3610 B9R0.5 CCCCOC(=O)CNC 7a_106832991635_100000211628 [0,2,0,0,0,0|2,0,0]=4 3611 B9R0.5 CCCCOC(=O)COC 34a_100138415774_100000211628 [0,2,0,0,0,0|1,0,0]=3 3612 B9R0.5 CCCCOC(=O)CSC 62a_100000211628_200000210301 [0,2,0,0,0,0|1,1,0]=4 3613 B9R0.5 CCCCOC(=O)CSC 62a_200000210301_100000211628 [0,2,0,0,0,0|1,1,0]=4 3614 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_100000211628_200025704644 [0,2,0,0,0,0|1,1,0]=4 3615 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_200025704644_100000211628 [0,2,0,0,0,0|1,1,0]=4 3616 B9R0.5 CCCNCC(=O)NCC 2230a_100016988866_100000210303 [0,2,0,0,0,0|2,0,0]=4 3617 B9R0.5 CCCNNC(=O)COC 22a_100000740057_100000210968 [0,2,0,0,0,0|2,0,0]=4 3618 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [0,2,0,0,0,0|2,0,0]=4 3619 B9R0.5 CCCOCC(=O)CCF 1458a_100000745993_100011217306 [0,2,0,0,0,0|2,0,0]=4 3620 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [0,2,0,0,0,0|2,0,0]=4 3621 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [0,2,0,0,0,0|2,0,0]=4 3622 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [0,2,0,0,0,0|2,0,0]=4 3623 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [0,2,0,0,0,0|2,0,0]=4 3624 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [0,2,0,0,0,0|2,0,0]=4 3625 B9R0.5 CCCOCC(=O)NCO 34a_100000210258_100000185155 [0,2,0,0,0,0|2,0,0]=4 3626 B9R0.5 CCCOCC(=O)NNC 22a_100016993582_100000745993 [0,2,0,0,0,0|2,0,0]=4 3627 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [0,2,0,0,0,0|1,0,0]=3 3628 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [0,2,0,0,0,0|2,0,0]=4 3629 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [0,2,0,0,0,0|2,0,0]=4 3630 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [0,2,0,0,0,0|2,0,0]=4 3631 B9R0.5 CCCSCC(=O)CCF 1458a_100000217233_100011217306 [0,2,0,0,0,0|2,0,0]=4 3632 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [0,2,0,0,0,0|2,0,0]=4 3633 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [0,2,0,0,0,0|2,0,0]=4 3634 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [0,2,0,0,0,0|2,0,0]=4 3635 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [0,2,0,0,0,0|2,0,0]=4 3636 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [0,2,0,0,0,0|2,0,0]=4 3637 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [0,2,0,0,0,0|2,0,0]=4 3638 B9R0.5 CCCSCC(=O)NCO 62a_100000185155_100000210303 [0,2,0,0,0,0|2,0,0]=4 3639 B9R0.5 CCCSCC(=O)NCO 62a_100000210303_100000185155 [0,2,0,0,0,0|2,0,0]=4 3640 B9R0.5 CCCSCC(=O)NNC 22a_100016993582_100000217233 [0,2,0,0,0,0|2,0,0]=4 3641 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [0,2,0,0,0,0|1,0,0]=3 3642 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [0,2,0,0,0,0|1,0,0]=3 3643 B9R0.5 CCNC(=O)CCCOC 11a_100015525214_100000741012 [0,2,0,0,0,0|1,1,0]=4 3644 B9R0.5 CCNC(=O)CCCOC 240690a_100015525214_100000741012 [0,2,0,0,0,0|1,1,0]=4 3645 B9R0.5 CCNC(=O)CCCOC 527a_100015525214_100000741012 [0,2,0,0,0,0|1,1,0]=4 3646 B9R0.5 CCNC(=O)CCCSC 11a_100015525214_100000173376 [0,2,0,0,0,0|1,0,0]=3 3647 B9R0.5 CCNC(=O)CCCSC 240690a_100015525214_100000173376 [0,2,0,0,0,0|1,0,0]=3 3648 B9R0.5 CCNC(=O)CCCSC 527a_100015525214_100000173376 [0,2,0,0,0,0|1,0,0]=3 3649 B9R0.5 CCNC(=O)CCNCF 34a_100025743525_100015361967 [0,2,0,0,0,0|2,0,0]=4 3650 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [0,2,0,0,0,0|1,1,0]=4 3651 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [0,2,0,0,0,0|1,1,0]=4 3652 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [0,2,0,0,0,0|1,1,0]=4 3653 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [0,2,0,0,0,0|1,0,0]=3 3654 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [0,2,0,0,0,0|1,0,0]=3 3655 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [0,2,0,0,0,0|1,0,0]=3 3656 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [0,2,0,0,0,0|1,0,0]=3 3657 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [0,2,0,0,0,0|1,0,0]=3 3658 B9R0.5 CCNC(=O)CCSCF 62a_100000737597_100015361967 [0,2,0,0,0,0|1,0,0]=3 3659 B9R0.5 CCNC(=O)CCSCF 62a_100015361967_100000737597 [0,2,0,0,0,0|1,0,0]=3 3660 B9R0.5 CCNC(=O)CNCOC 2230a_100016988866_100000766300 [0,2,0,0,0,0|1,1,0]=4 3661 B9R0.5 CCNC(=O)CNCSC 2230a_100016988866_100011218213 [0,2,0,0,0,0|1,0,0]=3 3662 B9R0.5 CCNC(=O)CSCOC 62a_100000183381_100000766300 [0,2,0,0,0,0|1,1,0]=4 3663 B9R0.5 CCNC(=O)CSCOC 62a_100000766300_100000183381 [0,2,0,0,0,0|1,1,0]=4 3664 B9R0.5 CCNC(=O)CSCSC 62a_100000183381_100011218213 [0,2,0,0,0,0|1,0,0]=3 3665 B9R0.5 CCNC(=O)CSCSC 62a_100011218213_100000183381 [0,2,0,0,0,0|1,0,0]=3 3666 B9R0.5 CCNC(=O)NCCOC 2708a_100015525214_100000209980 [0,2,0,0,0,0|1,1,0]=4 3667 B9R0.5 CCNC(=O)NCCOC 273464a_100000209980_100015525214 [0,2,0,0,0,0|1,1,0]=4 3668 B9R0.5 CCNC(=O)NCCOC 273464a_100015525214_100000209980 [0,2,0,0,0,0|1,1,0]=4 3669 B9R0.5 CCNC(=O)NCCSC 2708a_100015525214_100020590264 [0,2,0,0,0,0|1,0,0]=3 3670 B9R0.5 CCNC(=O)NCCSC 2708a_100020590264_100015525214 [0,2,0,0,0,0|1,0,0]=3 3671 B9R0.5 CCNC(=O)NCCSC 273464a_100015525214_100020590264 [0,2,0,0,0,0|1,0,0]=3 3672 B9R0.5 CCNC(=O)NCCSC 273464a_100020590264_100015525214 [0,2,0,0,0,0|1,0,0]=3 3673 B9R0.5 CCNC(=O)NCCSC 512a_100015525214_100020590264 [0,2,0,0,0,0|1,0,0]=3 3674 B9R0.5 CCNC(=O)NCCSC 512a_100020590264_100015525214 [0,2,0,0,0,0|1,0,0]=3 3675 B9R0.5 CCNCCC(=O)NCC 2230a_100015525214_100000737597 [0,2,0,0,0,0|2,0,0]=4 3676 B9R0.5 CCNCCC(=O)NCC 34a_100025743525_100000210202 [0,2,0,0,0,0|2,0,0]=4 3677 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [0,2,0,0,0,0|1,0,0]=3 3678 B9R0.5 CCOC(=O)/C=C/CNC 2230a_106832991635_100016267167 [0,2,0,0,0,0|1,0,1]=4 3679 B9R0.5 CCOC(=O)/C=C/CNC 34a_100102657272_100016267167 [0,2,0,0,0,0|1,0,1]=4 3680 B9R0.5 CCOC(=O)/C=C/CNC 7a_106832991635_100016267167 [0,2,0,0,0,0|1,0,1]=4 3681 B9R0.5 CCOC(=O)/C=C/COC 34a_100138415774_100016267167 [0,2,0,0,0,0|0,1,1]=4 3682 B9R0.5 CCOC(=O)/C=C/CSC 62a_100016267167_200000210301 [0,2,0,0,0,0|0,0,1]=3 3683 B9R0.5 CCOC(=O)/C=C/CSC 62a_200000210301_100016267167 [0,2,0,0,0,0|0,0,1]=3 3684 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_100016267167_200025704644 [0,2,0,0,0,0|0,0,1]=3 3685 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_200025704644_100016267167 [0,2,0,0,0,0|0,0,1]=3 3686 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [0,2,0,0,0,0|1,0,0]=3 3687 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [0,2,0,0,0,0|1,0,0]=3 3688 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [0,2,0,0,0,0|1,0,0]=3 3689 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [0,2,0,0,0,0|0,1,0]=3 3690 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [0,2,0,0,0,0|0,1,0]=3 3691 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [0,2,0,0,0,0|0,1,0]=3 3692 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [0,2,0,0,0,0|0,0,0]=2 3693 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [0,2,0,0,0,0|0,0,0]=2 3694 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [0,2,0,0,0,0|0,0,0]=2 3695 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [0,2,0,0,0,0|0,0,0]=2 3696 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [0,2,0,0,0,0|0,0,0]=2 3697 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [0,2,0,0,0,0|0,0,0]=2 3698 B9R0.5 CCOC(=O)CCSCF 62a_100000765890_100015361967 [0,2,0,0,0,0|0,0,0]=2 3699 B9R0.5 CCOC(=O)CCSCF 62a_100015361967_100000765890 [0,2,0,0,0,0|0,0,0]=2 3700 B9R0.5 CCOC(=O)CNCCF 34a_100000724931_100000188475 [0,2,0,0,0,0|2,0,0]=4 3701 B9R0.5 CCOC(=O)CNCCO 2230a_100016997473_100000188475 [0,2,0,0,0,0|2,0,0]=4 3702 B9R0.5 CCOC(=O)CNCCO 34a_100016990907_100000188475 [0,2,0,0,0,0|2,0,0]=4 3703 B9R0.5 CCOC(=O)COCCBr 34a_100000211926_100000188475 [0,2,0,0,0,0|2,0,0]=4 3704 B9R0.5 CCOC(=O)COCCN 34a_100000210304_100000188475 [0,2,0,0,0,0|2,0,0]=4 3705 B9R0.5 CCOC(=O)CSCC#N 62a_100000188475_100011215382 [0,2,0,0,0,0|2,0,0]=4 3706 B9R0.5 CCOC(=O)CSCC#N 62a_100011215382_100000188475 [0,2,0,0,0,0|2,0,0]=4 3707 B9R0.5 CCOC(=O)CSCC=O 62a_100000188475_200015260668 [0,2,0,0,0,0|2,0,0]=4 3708 B9R0.5 CCOC(=O)CSCC=O 62a_200015260668_100000188475 [0,2,0,0,0,0|2,0,0]=4 3709 B9R0.5 CCOC(=O)CSCCF 62a_100000188475_100011217306 [0,2,0,0,0,0|2,0,0]=4 3710 B9R0.5 CCOC(=O)CSCCF 62a_100011217306_100000188475 [0,2,0,0,0,0|2,0,0]=4 3711 B9R0.5 CCOC(=O)CSCCO 62a_100000188475_100000211926 [0,2,0,0,0,0|2,0,0]=4 3712 B9R0.5 CCOC(=O)CSCCO 62a_100000211926_100000188475 [0,2,0,0,0,0|2,0,0]=4 3713 B9R0.5 CCOC(=O)CSCOC 62a_100000188475_100000766300 [0,2,0,0,0,0|0,1,0]=3 3714 B9R0.5 CCOC(=O)CSCOC 62a_100000766300_100000188475 [0,2,0,0,0,0|0,1,0]=3 3715 B9R0.5 CCOC(=O)CSCSC 62a_100000188475_100011218213 [0,2,0,0,0,0|0,0,0]=2 3716 B9R0.5 CCOC(=O)CSCSC 62a_100011218213_100000188475 [0,2,0,0,0,0|0,0,0]=2 3717 B9R0.5 CCOC(=O)NCCNC 7a_106832991635_200011445536 [0,2,0,0,0,0|1,0,0]=3 3718 B9R0.5 CCOC(=O)NCCOC 34a_100000158857_200000210301 [0,2,0,0,0,0|0,1,0]=3 3719 B9R0.5 CCOC(=O)NCCO[13CH3] 34a_100000158857_200025704644 [0,2,0,0,0,0|0,1,0]=3 3720 B9R0.5 CCOC(=O)NCCSC 62a_200000210301_200011445536 [0,2,0,0,0,0|0,0,0]=2 3721 B9R0.5 CCOC(=O)NCCS[13CH3] 62a_200025704644_200011445536 [0,2,0,0,0,0|0,0,0]=2 3722 B9R0.5 CCOC(=O)OCSCC 62a_100000210202_100000075025 [0,2,0,0,0,0|1,0,0]=3 3723 B9R0.5 CCOC(=O)OCSCF 62a_100015361967_100000075025 [0,2,0,0,0,0|1,0,0]=3 3724 B9R0.5 CCOCCC(=O)CCF 1458a_100000749530_100011217306 [0,2,0,0,0,0|1,1,0]=4 3725 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [0,2,0,0,0,0|1,1,0]=4 3726 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [0,2,0,0,0,0|1,1,0]=4 3727 B9R0.5 CCOCCC(=O)COC 1458a_100000210968_100011215890 [0,2,0,0,0,0|0,1,0]=3 3728 B9R0.5 CCOCCC(=O)CSC 1458a_100000184570_100011215890 [0,2,0,0,0,0|0,2,0]=4 3729 B9R0.5 CCOCCC(=O)NNC 22a_100016993582_100000749530 [0,2,0,0,0,0|1,1,0]=4 3730 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [0,2,0,0,0,0|0,1,0]=3 3731 B9R0.5 CCSCCC(=O)C=CBr 1458a_100016273825_100000757381 [0,2,0,0,0,0|1,0,1]=4 3732 B9R0.5 CCSCCC(=O)C=CCl 1458a_200016279998_100000757381 [0,2,0,0,0,0|1,0,1]=4 3733 B9R0.5 CCSCCC(=O)C=CI 1458a_100016256311_100000757381 [0,2,0,0,0,0|1,0,1]=4 3734 B9R0.5 CCSCCC(=O)CC#N 1458a_100000230768_100011214920 [0,2,0,0,0,0|1,0,1]=4 3735 B9R0.5 CCSCCC(=O)CC#N 1458a_100051588842_100000757381 [0,2,0,0,0,0|1,0,1]=4 3736 B9R0.5 CCSCCC(=O)CCF 1458a_100000230768_100011217306 [0,2,0,0,0,0|1,0,0]=3 3737 B9R0.5 CCSCCC(=O)CCO 1458a_100000230768_100000211926 [0,2,0,0,0,0|1,0,0]=3 3738 B9R0.5 CCSCCC(=O)CCO 1458a_100011216618_100000757381 [0,2,0,0,0,0|1,0,0]=3 3739 B9R0.5 CCSCCC(=O)COC 1458a_100000210968_100000757381 [0,2,0,0,0,0|0,0,0]=2 3740 B9R0.5 CCSCCC(=O)CSC 1458a_100000184570_100000757381 [0,2,0,0,0,0|0,1,0]=3 3741 B9R0.5 CCSCCC(=O)NNC 22a_100016993582_100000230768 [0,2,0,0,0,0|1,0,0]=3 3742 B9R0.5 CNCC(=O)NCCOC 2230a_100000754632_200000210301 [0,2,0,0,0,0|1,1,0]=4 3743 B9R0.5 CNCC(=O)NCCOC 2230a_106832991635_100000183275 [0,2,0,0,0,0|1,1,0]=4 3744 B9R0.5 CNCC(=O)NCCOC 34a_100102657272_100000183275 [0,2,0,0,0,0|1,1,0]=4 3745 B9R0.5 CNCC(=O)NCCOC 7a_106832991635_100000183275 [0,2,0,0,0,0|1,1,0]=4 3746 B9R0.5 CNCC(=O)OCCOC 2230a_106832991635_200000040189 [0,2,0,0,0,0|1,1,0]=4 3747 B9R0.5 CNCC(=O)OCCOC 34a_100102657272_200000040189 [0,2,0,0,0,0|1,1,0]=4 3748 B9R0.5 CNCC(=O)OCCOC 7a_106832991635_200000040189 [0,2,0,0,0,0|1,1,0]=4 3749 B9R0.5 CNNC(=O)CCCOC 22a_100016993582_100000741012 [0,2,0,0,0,0|1,1,0]=4 3750 B9R0.5 CNNC(=O)CCCSC 22a_100016993582_100000173376 [0,2,0,0,0,0|1,0,0]=3 3751 B9R0.5 CNNC(=O)NCCOC 273464a_100000209980_100016993582 [0,2,0,0,0,0|1,1,0]=4 3752 B9R0.5 CNNC(=O)NCCSC 273464a_100020590264_100016993582 [0,2,0,0,0,0|1,0,0]=3 3753 B9R0.5 CNNC(=O)NCCSC 512a_100016993582_100020590264 [0,2,0,0,0,0|1,0,0]=3 3754 B9R0.5 CNNC(=O)NCCSC 512a_100020590264_100016993582 [0,2,0,0,0,0|1,0,0]=3 3755 B9R0.5 COCC(=O)CC#CCO 1458a_100000210968_200000047223 [0,2,0,0,0,0|1,0,1]=4 3756 B9R0.5 COCC(=O)CCCC#N 1458a_100000210968_100000211468 [0,2,0,0,0,0|1,0,1]=4 3757 B9R0.5 COCC(=O)CCCCF 1458a_100000210968_100000729493 [0,2,0,0,0,0|1,0,0]=3 3758 B9R0.5 COCC(=O)CCCCO 1458a_100000210968_100000210776 [0,2,0,0,0,0|1,0,0]=3 3759 B9R0.5 COCC(=O)NCCC#N 11a_100000720768_100000210968 [0,2,0,0,0,0|2,0,0]=4 3760 B9R0.5 COCC(=O)NCCC#N 1626a_100000720768_100000210968 [0,2,0,0,0,0|2,0,0]=4 3761 B9R0.5 COCC(=O)NCCC#N 240690a_100000720768_100000210968 [0,2,0,0,0,0|2,0,0]=4 3762 B9R0.5 COCC(=O)NCCC#N 527a_100000720768_100000210968 [0,2,0,0,0,0|2,0,0]=4 3763 B9R0.5 COCC(=O)NCCCF 11a_100015189416_100000210968 [0,2,0,0,0,0|2,0,0]=4 3764 B9R0.5 COCC(=O)NCCCF 1626a_100015189416_100000210968 [0,2,0,0,0,0|2,0,0]=4 3765 B9R0.5 COCC(=O)NCCCF 240690a_100015189416_100000210968 [0,2,0,0,0,0|2,0,0]=4 3766 B9R0.5 COCC(=O)NCCCF 527a_100015189416_100000210968 [0,2,0,0,0,0|2,0,0]=4 3767 B9R0.5 COCC(=O)NCCCO 240690a_100000182051_100000210968 [0,2,0,0,0,0|2,0,0]=4 3768 B9R0.5 COCC(=O)NCCCO 527a_100000182051_100000210968 [0,2,0,0,0,0|2,0,0]=4 3769 B9R0.5 COCC(=O)NCCSC 11a_100020590264_100000210968 [0,2,0,0,0,0|0,0,0]=2 3770 B9R0.5 COCC(=O)NCCSC 1626a_100020590264_100000210968 [0,2,0,0,0,0|0,0,0]=2 3771 B9R0.5 COCC(=O)NCCSC 240690a_100020590264_100000210968 [0,2,0,0,0,0|0,0,0]=2 3772 B9R0.5 COCC(=O)NCCSC 527a_100020590264_100000210968 [0,2,0,0,0,0|0,0,0]=2 3773 B9R0.5 COCC(C)NCCSC 2230a_100020590264_100000765312 [0,2,0,0,0,0|1,0,1]=4 3774 B9R0.5 COCC(C)NCCSC 270004a_100020590264_100000749346 [0,2,0,0,0,0|1,0,1]=4 3775 B9R0.5 COCC(C)OCCSC 34a_100000230434_100000765312 [0,2,0,0,0,0|1,0,1]=4 3776 B9R0.5 COCC(C)OCCSC 7a_100000230434_100000765312 [0,2,0,0,0,0|1,0,1]=4 3777 B9R0.5 COCC(C)SCCSC 62a_100000212216_100000765312 [0,2,0,0,0,0|1,0,1]=4 3778 B9R0.5 COCC(C)SCCSC 62a_100000765312_100000751147 [0,2,0,0,0,0|1,0,1]=4 3779 B9R0.5 COCC(N)COCSC 34a_100000724102_100011218213 [0,2,0,0,0,0|1,0,1]=4 3780 B9R0.5 COCC(O)CNCSC 2230a_100000756049_100011218213 [0,2,0,0,0,0|0,0,2]=4 3781 B9R0.5 COCC(O)CNCSC 34a_100000756049_100011218213 [0,2,0,0,0,0|0,0,2]=4 3782 B9R0.5 COCC(O)CSCSC 62a_100011215053_100011218213 [0,2,0,0,0,0|0,0,2]=4 3783 B9R0.5 COCC(O)CSCSC 62a_100011218213_100011215053 [0,2,0,0,0,0|0,0,2]=4 3784 B9R0.5 COCCCC(=O)CCF 1458a_100000741012_100011217306 [0,2,0,0,0,0|1,1,0]=4 3785 B9R0.5 COCCCC(=O)CCO 1458a_100000741012_100000211926 [0,2,0,0,0,0|1,1,0]=4 3786 B9R0.5 COCCCC(=O)CCO 1458a_100011216618_100000740836 [0,2,0,0,0,0|1,1,0]=4 3787 B9R0.5 COCCCC(=O)COC 1458a_100000210968_100000740836 [0,2,0,0,0,0|0,1,0]=3 3788 B9R0.5 COCCCC(=O)CSC 1458a_100000184570_100000740836 [0,2,0,0,0,0|0,2,0]=4 3789 B9R0.5 COCCNC(=O)CCO 240690a_100000209980_100011216618 [0,2,0,0,0,0|1,1,0]=4 3790 B9R0.5 COCCNC(=O)CN[13CH3] 2230a_100000754632_200025704644 [0,2,0,0,0,0|1,1,0]=4 3791 B9R0.5 COCCNC(=O)COC 1626a_100000209980_100000210968 [0,2,0,0,0,0|0,1,0]=3 3792 B9R0.5 COCCNC(=O)COC 240690a_100000209980_100000210968 [0,2,0,0,0,0|0,1,0]=3 3793 B9R0.5 COCCNC(=O)COC 34a_100138415774_100000183275 [0,2,0,0,0,0|0,1,0]=3 3794 B9R0.5 COCCNC(=O)COC 527a_100000209980_100000210968 [0,2,0,0,0,0|0,1,0]=3 3795 B9R0.5 COCCNC(=O)CSC 1626a_100000209980_100000184570 [0,2,0,0,0,0|0,2,0]=4 3796 B9R0.5 COCCNC(=O)CSC 240690a_100000209980_100000184570 [0,2,0,0,0,0|0,2,0]=4 3797 B9R0.5 COCCNC(=O)CSC 527a_100000209980_100000184570 [0,2,0,0,0,0|0,2,0]=4 3798 B9R0.5 COCCNC(=O)CSC 62a_100000183275_200000210301 [0,2,0,0,0,0|0,2,0]=4 3799 B9R0.5 COCCNC(=O)CSC 62a_200000210301_100000183275 [0,2,0,0,0,0|0,2,0]=4 3800 B9R0.5 COCCNC(=O)CS[13CH3] 62a_100000183275_200025704644 [0,2,0,0,0,0|0,2,0]=4 3801 B9R0.5 COCCNC(=O)CS[13CH3] 62a_200025704644_100000183275 [0,2,0,0,0,0|0,2,0]=4 3802 B9R0.5 COCCOC(=O)COC 34a_100138415774_200000040189 [0,2,0,0,0,0|0,1,0]=3 3803 B9R0.5 COCCOC(=O)CSC 62a_200000040189_200000210301 [0,2,0,0,0,0|0,2,0]=4 3804 B9R0.5 COCCOC(=O)CSC 62a_200000210301_200000040189 [0,2,0,0,0,0|0,2,0]=4 3805 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200000040189_200025704644 [0,2,0,0,0,0|0,2,0]=4 3806 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200025704644_200000040189 [0,2,0,0,0,0|0,2,0]=4 3807 B9R0.5 COCSCC(=O)NCO 62a_100000185155_100000766300 [0,2,0,0,0,0|1,1,0]=4 3808 B9R0.5 COCSCC(=O)NCO 62a_100000766300_100000185155 [0,2,0,0,0,0|1,1,0]=4 3809 B9R0.5 COC[C@@H](C)NCCSC 2230a_100000764878_100000751147 [0,2,0,0,0,0|1,0,1]=4 3810 B9R0.5 COC[C@@H](C)OCCSC 34a_100011934205_100000212216 [0,2,0,0,0,0|1,0,1]=4 3811 B9R0.5 CSCC(=O)CCCCF 1458a_100000184570_100000729493 [0,2,0,0,0,0|1,1,0]=4 3812 B9R0.5 CSCC(=O)CCCCO 1458a_100000184570_100000210776 [0,2,0,0,0,0|1,1,0]=4 3813 B9R0.5 CSCCCC(=O)CC#N 1458a_100000173376_100011214920 [0,2,0,0,0,0|1,0,1]=4 3814 B9R0.5 CSCCCC(=O)CCF 1458a_100000173376_100011217306 [0,2,0,0,0,0|1,0,0]=3 3815 B9R0.5 CSCCCC(=O)CCO 1458a_100000173376_100000211926 [0,2,0,0,0,0|1,0,0]=3 3816 B9R0.5 CSCCNC(=O)C=CBr 1626a_100020590264_100016273825 [0,2,0,0,0,0|1,0,1]=4 3817 B9R0.5 CSCCNC(=O)C=CBr 240690a_100020590264_100016273825 [0,2,0,0,0,0|1,0,1]=4 3818 B9R0.5 CSCCNC(=O)C=CCl 11a_100020590264_200016279998 [0,2,0,0,0,0|1,0,1]=4 3819 B9R0.5 CSCCNC(=O)C=CCl 1626a_100020590264_200016279998 [0,2,0,0,0,0|1,0,1]=4 3820 B9R0.5 CSCCNC(=O)C=CCl 240690a_100020590264_200016279998 [0,2,0,0,0,0|1,0,1]=4 3821 B9R0.5 CSCCNC(=O)C=CI 1626a_100020590264_100016256311 [0,2,0,0,0,0|1,0,1]=4 3822 B9R0.5 CSCCNC(=O)CC#N 1626a_100020590264_100051588842 [0,2,0,0,0,0|1,0,1]=4 3823 B9R0.5 CSCCNC(=O)CC#N 240690a_100020590264_100051588842 [0,2,0,0,0,0|1,0,1]=4 3824 B9R0.5 CSCCNC(=O)CCO 240690a_100020590264_100011216618 [0,2,0,0,0,0|1,0,0]=3 3825 B9R0.5 CSCCNC(=O)CSC 11a_100020590264_100000184570 [0,2,0,0,0,0|0,1,0]=3 3826 B9R0.5 CSCCNC(=O)CSC 1626a_100020590264_100000184570 [0,2,0,0,0,0|0,1,0]=3 3827 B9R0.5 CSCCNC(=O)CSC 240690a_100020590264_100000184570 [0,2,0,0,0,0|0,1,0]=3 3828 B9R0.5 CSCCNC(=O)CSC 527a_100020590264_100000184570 [0,2,0,0,0,0|0,1,0]=3 3829 B9R0.5 CSCSCC(=O)NCO 62a_100000185155_100011218213 [0,2,0,0,0,0|1,0,0]=3 3830 B9R0.5 CSCSCC(=O)NCO 62a_100011218213_100000185155 [0,2,0,0,0,0|1,0,0]=3 3831 B9R0.5 O=C(CCF)CCCCO 1458a_100000695505_100011217306 [0,2,0,0,0,0|2,0,0]=4 3832 B9R0.5 O=C(CCO)CCCCF 1458a_100011216618_100000729493 [0,2,0,0,0,0|2,0,0]=4 3833 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [0,2,0,0,0,0|2,0,0]=4 3834 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [0,2,0,0,0,0|2,0,0]=4 3835 B9R0.8 C#CC(C)C(=O)CCCC 1458a_100000210183_200000035995 [0,2,0,0,0,0|2,0,0]=4 3836 B9R0.8 C#CC(C)C(=O)CCOC 1458a_100000749529_200000035995 [0,2,0,0,0,0|1,1,0]=4 3837 B9R0.8 C#CC(C)C(=O)CCSC 1458a_100000174002_200000035995 [0,2,0,0,0,0|1,0,0]=3 3838 B9R0.8 C#CCCC(=O)C(C)OC 1458a_100000743197_100000753159 [0,2,0,0,0,0|1,0,1]=4 3839 B9R0.8 C#CCNC(C)C(=O)OC 34a_100000212058_100000211248 [0,2,0,0,0,0|1,0,1]=4 3840 B9R0.8 C#CCOC(C)C(=O)OC 34a_100000210247_100000211248 [0,2,0,0,0,0|1,0,1]=4 3841 B9R0.8 C#CCOC(C)C(=O)OC 34a_100011215400_100000184674 [0,2,0,0,0,0|1,0,1]=4 3842 B9R0.8 C#CCSC(C)C(=O)OC 62a_100000038162_100000211248 [0,2,0,0,0,0|1,0,1]=4 3843 B9R0.8 C/C=C(\C)/C(=O)CCCC 1458a_100020587367_100000210211 [0,2,0,0,0,0|2,0,0]=4 3844 B9R0.8 C/C=C(\C)/C(=O)CCOC 1458a_100020587367_100000233755 [0,2,0,0,0,0|1,1,0]=4 3845 B9R0.8 C/C=C(\C)/C(=O)CCSC 1458a_100020587367_100000751147 [0,2,0,0,0,0|1,0,0]=3 3846 B9R0.8 C/C=C/CC(=O)C(C)OC 1458a_100000743197_100102629194 [0,2,0,0,0,0|1,0,1]=4 3847 B9R0.8 C=C(COCC)C(=O)OC 34a_100121572206_100009813391 [0,2,0,0,0,0|0,1,1]=4 3848 B9R0.8 C=C(CSCC)C(=O)OC 62a_100000210202_100009813391 [0,2,0,0,0,0|0,0,1]=3 3849 B9R0.8 C=C(CSCC)C(=O)OC 62a_100009813391_100000210202 [0,2,0,0,0,0|0,0,1]=3 3850 B9R0.8 C=C(CSCF)C(=O)OC 62a_100009813391_100015361967 [0,2,0,0,0,0|0,0,1]=3 3851 B9R0.8 C=C(CSCF)C(=O)OC 62a_100015361967_100009813391 [0,2,0,0,0,0|0,0,1]=3 3852 B9R0.8 C=CC(=O)N(C)CCSC 1626a_100000686725_100000185746 [0,2,0,0,0,0|1,0,1]=4 3853 B9R0.8 C=CC(=O)N(C)CCSC 240690a_100000686725_200121576911 [0,2,0,0,0,0|1,0,1]=4 3854 B9R0.8 C=CC(C)C(=O)CCCC 1458a_100011216780_100000210211 [0,2,0,0,0,0|2,0,0]=4 3855 B9R0.8 C=CC(C)C(=O)CCOC 1458a_100011216780_100000233755 [0,2,0,0,0,0|1,1,0]=4 3856 B9R0.8 C=CC(C)C(=O)CCSC 1458a_100011216780_100000751147 [0,2,0,0,0,0|1,0,0]=3 3857 B9R0.8 C=CCCC(=O)C(C)OC 1458a_100000743197_100000754431 [0,2,0,0,0,0|1,0,1]=4 3858 B9R0.8 C=CCNC(C)C(=O)OC 2230a_100020586998_100000211248 [0,2,0,0,0,0|1,0,1]=4 3859 B9R0.8 C=CCOC(C)C(=O)OC 34a_100011215400_100015514636 [0,2,0,0,0,0|1,0,1]=4 3860 B9R0.8 C=CCOC(C)C(=O)OC 34a_200000210373_100000211248 [0,2,0,0,0,0|1,0,1]=4 3861 B9R0.8 C=CCSC(C)C(=O)OC 62a_100000210623_100000211248 [0,2,0,0,0,0|1,0,1]=4 3862 B9R0.8 C=CCSC(C)C(=O)OC 62a_100000211248_100000210623 [0,2,0,0,0,0|1,0,1]=4 3863 B9R0.8 CC#CCC(=O)C(C)OC 1458a_100000743197_100000748600 [0,2,0,0,0,0|1,0,1]=4 3864 B9R0.8 CC=CCC(=O)C(C)OC 1458a_100000743197_100000070051 [0,2,0,0,0,0|1,0,1]=4 3865 B9R0.8 CCC(=O)C(C)SCOC 62a_100000742827_100000766300 [0,2,0,0,0,0|1,1,0]=4 3866 B9R0.8 CCC(=O)C(C)SCOC 62a_100000766300_100000742827 [0,2,0,0,0,0|1,1,0]=4 3867 B9R0.8 CCC(=O)C(C)SCSC 62a_100000742827_100011218213 [0,2,0,0,0,0|1,0,0]=3 3868 B9R0.8 CCC(=O)C(C)SCSC 62a_100011218213_100000742827 [0,2,0,0,0,0|1,0,0]=3 3869 B9R0.8 CCC(=O)C(O)CCSC 1458a_100000685904_100000210202 [0,2,0,0,0,0|1,0,0]=3 3870 B9R0.8 CCC(=O)N(C)CCOC 11a_100000743101_100000210414 [0,2,0,0,0,0|1,1,0]=4 3871 B9R0.8 CCC(=O)N(C)CCOC 1626a_100000743101_100000210414 [0,2,0,0,0,0|1,1,0]=4 3872 B9R0.8 CCC(=O)N(C)CCOC 240690a_100000743101_100000210414 [0,2,0,0,0,0|1,1,0]=4 3873 B9R0.8 CCC(=O)N(C)CCOC 527a_100000743101_100000210414 [0,2,0,0,0,0|1,1,0]=4 3874 B9R0.8 CCC(=O)N(C)CCSC 11a_100000686725_100000210414 [0,2,0,0,0,0|1,0,0]=3 3875 B9R0.8 CCC(=O)N(C)CCSC 1626a_100000686725_100000210414 [0,2,0,0,0,0|1,0,0]=3 3876 B9R0.8 CCC(=O)N(C)CCSC 240690a_100000686725_100000210414 [0,2,0,0,0,0|1,0,0]=3 3877 B9R0.8 CCC(=O)N(C)CCSC 527a_100000686725_100000210414 [0,2,0,0,0,0|1,0,0]=3 3878 B9R0.8 CCC(C)C(=O)CCOC 1458a_100000749529_100000758301 [0,2,0,0,0,0|1,1,0]=4 3879 B9R0.8 CCC(C)C(=O)CCOC 1458a_100011192722_100000233755 [0,2,0,0,0,0|1,1,0]=4 3880 B9R0.8 CCC(C)C(=O)CCSC 1458a_100000174002_100000758301 [0,2,0,0,0,0|1,0,0]=3 3881 B9R0.8 CCC(C)C(=O)CCSC 1458a_100011192722_100000751147 [0,2,0,0,0,0|1,0,0]=3 3882 B9R0.8 CCC(O)C(=O)CCOC 1458a_100011196387_100000233755 [0,2,0,0,0,0|1,1,0]=4 3883 B9R0.8 CCC(O)C(=O)CCSC 1458a_100011196387_100000751147 [0,2,0,0,0,0|1,0,0]=3 3884 B9R0.8 CCCCC(=O)C(=O)NC 1458a_100011218921_100000210211 [0,2,0,0,0,0|2,0,0]=4 3885 B9R0.8 CCCCC(=O)C(C)C#N 1458a_100000210183_100000703298 [0,2,0,0,0,0|2,0,0]=4 3886 B9R0.8 CCCCC(=O)C(C)C#N 1458a_100000753662_100000210211 [0,2,0,0,0,0|2,0,0]=4 3887 B9R0.8 CCCCC(=O)C(C)CC 1458a_100000210183_100000758301 [0,2,0,0,0,0|2,0,0]=4 3888 B9R0.8 CCCCC(=O)C(C)CC 1458a_100011192722_100000210211 [0,2,0,0,0,0|2,0,0]=4 3889 B9R0.8 CCCCC(=O)C(C)OC 1458a_100000743197_100000210211 [0,2,0,0,0,0|1,0,0]=3 3890 B9R0.8 CCCCC(=O)C(C)SC 1458a_100000149566_100000210211 [0,2,0,0,0,0|1,1,0]=4 3891 B9R0.8 CCCCC(=O)C(O)CC 1458a_100011196387_100000210211 [0,2,0,0,0,0|2,0,0]=4 3892 B9R0.8 CCCCC(=O)C(O)CO 1458a_100011215603_100000210211 [0,2,0,0,0,0|2,0,0]=4 3893 B9R0.8 CCCCC(=O)N(C)CC 11a_100000225621_100000210183 [0,2,0,0,0,0|2,0,0]=4 3894 B9R0.8 CCCCC(=O)N(C)CC 1626a_100000225621_100000210183 [0,2,0,0,0,0|2,0,0]=4 3895 B9R0.8 CCCCC(=O)N(C)CC 240690a_100000225621_100000210183 [0,2,0,0,0,0|2,0,0]=4 3896 B9R0.8 CCCCC(=O)N(C)CC 527a_100000225621_100000210183 [0,2,0,0,0,0|2,0,0]=4 3897 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000210414_200011215066 [0,2,0,0,0,0|2,0,0]=4 3898 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000725509_100000210202 [0,2,0,0,0,0|2,0,0]=4 3899 B9R0.8 CCCCC(C)C(=O)NC 11a_106832991635_100000725509 [0,2,0,0,0,0|2,0,0]=4 3900 B9R0.8 CCCCC(C)C(=O)NC 1626a_100102657272_100000725509 [0,2,0,0,0,0|2,0,0]=4 3901 B9R0.8 CCCCC(C)C(=O)NC 240690a_100102657272_100000725509 [0,2,0,0,0,0|2,0,0]=4 3902 B9R0.8 CCCCC(C)C(=O)NC 527a_100102657272_100000725509 [0,2,0,0,0,0|2,0,0]=4 3903 B9R0.8 CCCCC(O)C(=O)CC 1458a_100000720857_100000210202 [0,2,0,0,0,0|2,0,0]=4 3904 B9R0.8 CCCCC(O)C(=O)NC 240690a_100102657272_100000720857 [0,2,0,0,0,0|2,0,0]=4 3905 B9R0.8 CCCCC(O)C(=O)NC 527a_100102657272_100000720857 [0,2,0,0,0,0|2,0,0]=4 3906 B9R0.8 CCCCN(C)C(=O)CC 11a_100000207549_100000210414 [0,2,0,0,0,0|2,0,0]=4 3907 B9R0.8 CCCCN(C)C(=O)CC 1626a_100000207549_100000210414 [0,2,0,0,0,0|2,0,0]=4 3908 B9R0.8 CCCCN(C)C(=O)CC 240690a_100000207549_100000210414 [0,2,0,0,0,0|2,0,0]=4 3909 B9R0.8 CCCCN(C)C(=O)CC 527a_100000207549_100000210414 [0,2,0,0,0,0|2,0,0]=4 3910 B9R0.8 CCCCN(C)C(=O)NC 2708a_100102657272_100000207549 [0,2,0,0,0,0|2,0,0]=4 3911 B9R0.8 CCCCN(C)C(=O)NC 273464a_100102657272_100000207549 [0,2,0,0,0,0|2,0,0]=4 3912 B9R0.8 CCCNC(=O)C(=O)OC 11a_100020643023_100000024059 [0,2,0,0,0,0|1,0,1]=4 3913 B9R0.8 CCCNC(=O)C(=O)OC 1626a_100020643023_100000024059 [0,2,0,0,0,0|1,0,1]=4 3914 B9R0.8 CCCNC(=O)C(=O)OC 240690a_100020643023_100000024059 [0,2,0,0,0,0|1,0,1]=4 3915 B9R0.8 CCCNC(=O)C(=O)OC 527a_100020643023_100000024059 [0,2,0,0,0,0|1,0,1]=4 3916 B9R0.8 CCCNC(=O)C(C)OC 11a_100020643023_100000743197 [0,2,0,0,0,0|2,0,0]=4 3917 B9R0.8 CCCNC(=O)C(C)OC 1626a_100020643023_100000743197 [0,2,0,0,0,0|2,0,0]=4 3918 B9R0.8 CCCNC(=O)C(C)OC 240690a_100020643023_100000743197 [0,2,0,0,0,0|2,0,0]=4 3919 B9R0.8 CCCNC(=O)C(C)OC 34a_100138415774_100000230305 [0,2,0,0,0,0|2,0,0]=4 3920 B9R0.8 CCCNC(=O)C(C)OC 527a_100020643023_100000743197 [0,2,0,0,0,0|2,0,0]=4 3921 B9R0.8 CCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210303 [0,2,0,0,0,0|2,0,0]=4 3922 B9R0.8 CCCN[C@H](C)C(=O)NC 34a_100000684985_100000210303 [0,2,0,0,0,0|2,0,0]=4 3923 B9R0.8 CCCOC(=O)C(C)OC 34a_100000037348_200000210301 [0,2,0,0,0,0|2,0,0]=4 3924 B9R0.8 CCCOC(=O)C(C)OC 34a_100138415774_100000760410 [0,2,0,0,0,0|2,0,0]=4 3925 B9R0.8 CCCOC(=O)C(C)OC 7a_100000037348_200000210301 [0,2,0,0,0,0|2,0,0]=4 3926 B9R0.8 CCCOC(=O)C(C)O[13CH3] 34a_100000037348_200025704644 [0,2,0,0,0,0|2,0,0]=4 3927 B9R0.8 CCCOC(=O)C(C)O[13CH3] 7a_100000037348_200025704644 [0,2,0,0,0,0|2,0,0]=4 3928 B9R0.8 CCCOC(C)C(=O)NC 34a_100000210258_100000731044 [0,2,0,0,0,0|2,0,0]=4 3929 B9R0.8 CCCOC(C)C(=O)OC 34a_100000210258_100000211248 [0,2,0,0,0,0|1,0,0]=3 3930 B9R0.8 CCCOC(C)C(=O)OC 34a_100011215400_100000210303 [0,2,0,0,0,0|1,0,0]=3 3931 B9R0.8 CCCOC(F)C(=O)NC 34a_100000210258_100009813575 [0,2,0,0,0,0|2,0,0]=4 3932 B9R0.8 CCCSC(C)C(=O)CC 62a_100000210303_100000742827 [0,2,0,0,0,0|2,0,0]=4 3933 B9R0.8 CCCSC(C)C(=O)CC 62a_100000742827_100000210303 [0,2,0,0,0,0|2,0,0]=4 3934 B9R0.8 CCCSC(C)C(=O)NC 62a_100000209862_100000210303 [0,2,0,0,0,0|2,0,0]=4 3935 B9R0.8 CCCSC(C)C(=O)NC 62a_100000210303_100000731044 [0,2,0,0,0,0|2,0,0]=4 3936 B9R0.8 CCCSC(C)C(=O)OC 62a_100000210303_100000211248 [0,2,0,0,0,0|1,0,0]=3 3937 B9R0.8 CCCSC(C)C(=O)OC 62a_100000211248_100000210303 [0,2,0,0,0,0|1,0,0]=3 3938 B9R0.8 CCCSC(F)C(=O)NC 62a_100000210303_100009813575 [0,2,0,0,0,0|2,0,0]=4 3939 B9R0.8 CCCSC(F)C(=O)NC 62a_100009813575_100000210303 [0,2,0,0,0,0|2,0,0]=4 3940 B9R0.8 CCN(C)C(=O)CCOC 11a_100000225621_100000749529 [0,2,0,0,0,0|1,1,0]=4 3941 B9R0.8 CCN(C)C(=O)CCOC 1626a_100000225621_100000749529 [0,2,0,0,0,0|1,1,0]=4 3942 B9R0.8 CCN(C)C(=O)CCOC 240690a_100000225621_100000749529 [0,2,0,0,0,0|1,1,0]=4 3943 B9R0.8 CCN(C)C(=O)CCOC 527a_100000225621_100000749529 [0,2,0,0,0,0|1,1,0]=4 3944 B9R0.8 CCN(C)C(=O)CCSC 11a_100000225621_100000174002 [0,2,0,0,0,0|1,0,0]=3 3945 B9R0.8 CCN(C)C(=O)CCSC 1626a_100000225621_100000174002 [0,2,0,0,0,0|1,0,0]=3 3946 B9R0.8 CCN(C)C(=O)CCSC 240690a_100000225621_100000174002 [0,2,0,0,0,0|1,0,0]=3 3947 B9R0.8 CCN(C)C(=O)CCSC 527a_100000225621_100000174002 [0,2,0,0,0,0|1,0,0]=3 3948 B9R0.8 CCNCC(=O)N(C)OC 2230a_100015207273_100000210202 [0,2,0,0,0,0|2,0,0]=4 3949 B9R0.8 CCNCC(=O)N(C)OC 2230a_100015525214_100000764215 [0,2,0,0,0,0|2,0,0]=4 3950 B9R0.8 CCNCC(C)C(=O)NC 2230a_100015187722_100000210202 [0,2,0,0,0,0|2,0,0]=4 3951 B9R0.8 CCNCC(C)C(=O)NC 34a_100015187722_100000210202 [0,2,0,0,0,0|2,0,0]=4 3952 B9R0.8 CCOCC(=O)C(=O)OC 34a_100121572206_100011610305 [0,2,0,0,0,0|0,1,1]=4 3953 B9R0.8 CCOCC(C)C(=O)OC 34a_100000749362_100000210202 [0,2,0,0,0,0|0,1,0]=3 3954 B9R0.8 CCOCC(C)C(=O)OC 34a_100121572206_100000698445 [0,2,0,0,0,0|0,1,0]=3 3955 B9R0.8 CCOCC(C)C(=O)OC 7a_100000749362_100000210202 [0,2,0,0,0,0|0,1,0]=3 3956 B9R0.8 CCOCC(F)C(=O)OC 34a_200009849844_100000210202 [0,2,0,0,0,0|0,1,0]=3 3957 B9R0.8 CCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210202 [0,2,0,0,0,0|0,1,0]=3 3958 B9R0.8 CCSCC(=O)C(=O)OC 62a_100000210202_100011610305 [0,2,0,0,0,0|0,0,1]=3 3959 B9R0.8 CCSCC(=O)C(=O)OC 62a_100011610305_100000210202 [0,2,0,0,0,0|0,0,1]=3 3960 B9R0.8 CCSCC(=O)N(C)OC 62a_100000210202_100000764215 [0,2,0,0,0,0|2,0,0]=4 3961 B9R0.8 CCSCC(=O)N(C)OC 62a_100000764215_100000210202 [0,2,0,0,0,0|2,0,0]=4 3962 B9R0.8 CCSCC(C)C(=O)OC 62a_100000210202_100000698445 [0,2,0,0,0,0|0,0,0]=2 3963 B9R0.8 CCSCC(C)C(=O)OC 62a_100000698445_100000210202 [0,2,0,0,0,0|0,0,0]=2 3964 B9R0.8 CNC(=O)C(=O)CCOC 1458a_100011218921_100000233755 [0,2,0,0,0,0|1,1,0]=4 3965 B9R0.8 CNC(=O)C(=O)CCSC 1458a_100011218921_100000751147 [0,2,0,0,0,0|1,0,0]=3 3966 B9R0.8 CNC(=O)C(C)CNCF 34a_100015187722_100015361967 [0,2,0,0,0,0|2,0,0]=4 3967 B9R0.8 CNC(=O)C(C)SCOC 62a_100000209862_100000766300 [0,2,0,0,0,0|1,1,0]=4 3968 B9R0.8 CNC(=O)C(C)SCOC 62a_100000766300_100000731044 [0,2,0,0,0,0|1,1,0]=4 3969 B9R0.8 CNC(=O)C(C)SCSC 62a_100000209862_100011218213 [0,2,0,0,0,0|1,0,0]=3 3970 B9R0.8 CNC(=O)C(C)SCSC 62a_100011218213_100000731044 [0,2,0,0,0,0|1,0,0]=3 3971 B9R0.8 CNC(=O)C(F)SCOC 62a_100000766300_100009813575 [0,2,0,0,0,0|1,1,0]=4 3972 B9R0.8 CNC(=O)C(F)SCOC 62a_100009813575_100000766300 [0,2,0,0,0,0|1,1,0]=4 3973 B9R0.8 CNC(=O)C(F)SCSC 62a_100009813575_100011218213 [0,2,0,0,0,0|1,0,0]=3 3974 B9R0.8 CNC(=O)C(F)SCSC 62a_100011218213_100009813575 [0,2,0,0,0,0|1,0,0]=3 3975 B9R0.8 CNC(=O)C(O)CCSC 240690a_100102657272_100000685904 [0,2,0,0,0,0|1,0,0]=3 3976 B9R0.8 CNC(=O)N(C)CCOC 2708a_100102657272_100000743101 [0,2,0,0,0,0|1,1,0]=4 3977 B9R0.8 CNC(=O)N(C)CCOC 273464a_100102657272_100000743101 [0,2,0,0,0,0|1,1,0]=4 3978 B9R0.8 CNC(=O)N(C)CCSC 2708a_100102657272_100000686725 [0,2,0,0,0,0|1,0,0]=3 3979 B9R0.8 CNC(=O)N(C)CCSC 273464a_100102657272_100000686725 [0,2,0,0,0,0|1,0,0]=3 3980 B9R0.8 CNC(=O)[C@@H](C)NCOC 2230a_100000684985_100000766300 [0,2,0,0,0,0|1,1,0]=4 3981 B9R0.8 CNC(=O)[C@@H](C)NCSC 2230a_100000684985_100011218213 [0,2,0,0,0,0|1,0,0]=3 3982 B9R0.8 CNC(=O)[C@@H](C)NCSC 34a_100000684985_100011218213 [0,2,0,0,0,0|1,0,0]=3 3983 B9R0.8 CNCCC(C)C(=O)OC 2230a_106832991635_100000034942 [0,2,0,0,0,0|1,0,0]=3 3984 B9R0.8 CNCCC(C)C(=O)OC 34a_100102657272_100000034942 [0,2,0,0,0,0|1,0,0]=3 3985 B9R0.8 CNCCC(C)C(=O)OC 7a_106832991635_100000034942 [0,2,0,0,0,0|1,0,0]=3 3986 B9R0.8 COC(=O)C(=O)CSCF 62a_100011610305_100015361967 [0,2,0,0,0,0|0,0,1]=3 3987 B9R0.8 COC(=O)C(=O)CSCF 62a_100015361967_100011610305 [0,2,0,0,0,0|0,0,1]=3 3988 B9R0.8 COC(=O)C(C)CCSC 62a_100000034942_200000210301 [0,2,0,0,0,0|0,0,0]=2 3989 B9R0.8 COC(=O)C(C)CCSC 62a_200000210301_100000034942 [0,2,0,0,0,0|0,0,0]=2 3990 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_100000034942_200025704644 [0,2,0,0,0,0|0,0,0]=2 3991 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_200025704644_100000034942 [0,2,0,0,0,0|0,0,0]=2 3992 B9R0.8 COC(=O)C(C)COCF 34a_100000749362_100015361967 [0,2,0,0,0,0|0,1,0]=3 3993 B9R0.8 COC(=O)C(C)COCF 7a_100000749362_100015361967 [0,2,0,0,0,0|0,1,0]=3 3994 B9R0.8 COC(=O)C(C)CSCF 62a_100000698445_100015361967 [0,2,0,0,0,0|0,0,0]=2 3995 B9R0.8 COC(=O)C(C)CSCF 62a_100015361967_100000698445 [0,2,0,0,0,0|0,0,0]=2 3996 B9R0.8 COC(=O)C(C)NCCF 34a_100000724931_100000211248 [0,2,0,0,0,0|2,0,0]=4 3997 B9R0.8 COC(=O)C(C)NCCO 2230a_100016997473_100000211248 [0,2,0,0,0,0|2,0,0]=4 3998 B9R0.8 COC(=O)C(C)NCCO 34a_100016990907_100000211248 [0,2,0,0,0,0|2,0,0]=4 3999 B9R0.8 COC(=O)C(C)OCC=O 34a_100011215400_200009817547 [0,2,0,0,0,0|2,0,0]=4 4000 B9R0.8 COC(=O)C(C)OCCBr 34a_100000211926_100000211248 [0,2,0,0,0,0|2,0,0]=4 4001 B9R0.8 COC(=O)C(C)OCCF 34a_100011215400_100011217306 [0,2,0,0,0,0|2,0,0]=4 4002 B9R0.8 COC(=O)C(C)OCCN 34a_100000210304_100000211248 [0,2,0,0,0,0|2,0,0]=4 4003 B9R0.8 COC(=O)C(C)OCCO 34a_100011215400_100000211926 [0,2,0,0,0,0|2,0,0]=4 4004 B9R0.8 COC(=O)C(C)OCSC 34a_100011215400_100011218213 [0,2,0,0,0,0|0,0,0]=2 4005 B9R0.8 COC(=O)C(C)SCC#N 62a_100000211248_100011215382 [0,2,0,0,0,0|2,0,0]=4 4006 B9R0.8 COC(=O)C(C)SCC#N 62a_100011215382_100000211248 [0,2,0,0,0,0|2,0,0]=4 4007 B9R0.8 COC(=O)C(C)SCC=O 62a_100000211248_200015260668 [0,2,0,0,0,0|2,0,0]=4 4008 B9R0.8 COC(=O)C(C)SCC=O 62a_200015260668_100000211248 [0,2,0,0,0,0|2,0,0]=4 4009 B9R0.8 COC(=O)C(C)SCCF 62a_100000211248_100011217306 [0,2,0,0,0,0|2,0,0]=4 4010 B9R0.8 COC(=O)C(C)SCCF 62a_100011217306_100000211248 [0,2,0,0,0,0|2,0,0]=4 4011 B9R0.8 COC(=O)C(C)SCCO 62a_100000211248_100000211926 [0,2,0,0,0,0|2,0,0]=4 4012 B9R0.8 COC(=O)C(C)SCCO 62a_100000211926_100000211248 [0,2,0,0,0,0|2,0,0]=4 4013 B9R0.8 COC(=O)C(C)SCSC 62a_100000211248_100011218213 [0,2,0,0,0,0|0,0,0]=2 4014 B9R0.8 COC(=O)C(C)SCSC 62a_100011218213_100000211248 [0,2,0,0,0,0|0,0,0]=2 4015 B9R0.8 COC(=O)C(F)COCF 34a_200009849844_100015361967 [0,2,0,0,0,0|0,1,0]=3 4016 B9R0.8 COC(=O)[C@H](N)COCF 34a_100000003586_100015361967 [0,2,0,0,0,0|0,1,0]=3 4017 B9R0.8 COC(C)C(=O)CCC#N 1458a_100000743197_100011215226 [0,2,0,0,0,0|2,0,0]=4 4018 B9R0.8 COC(C)C(=O)CCCF 1458a_100000743197_100011934791 [0,2,0,0,0,0|2,0,0]=4 4019 B9R0.8 COC(C)C(=O)CCCO 1458a_100000743197_100011215043 [0,2,0,0,0,0|2,0,0]=4 4020 B9R0.8 COC(C)C(=O)CCSC 1458a_100000743197_100000751147 [0,2,0,0,0,0|0,0,0]=2 4021 B9R0.8 COC(C)N(C)CCSC 269982a_100000686725_100009879195 [0,2,0,0,0,0|1,0,1]=4 4022 B9R0.8 COCCC(=O)C(C)C#N 1458a_100000749529_100000703298 [0,2,0,0,0,0|1,1,0]=4 4023 B9R0.8 COCCC(=O)C(C)C#N 1458a_100000753662_100000233755 [0,2,0,0,0,0|1,1,0]=4 4024 B9R0.8 COCCC(=O)C(C)OC 1458a_100000743197_100000233755 [0,2,0,0,0,0|0,1,0]=3 4025 B9R0.8 COCCC(=O)C(C)SC 1458a_100000149566_100000233755 [0,2,0,0,0,0|0,2,0]=4 4026 B9R0.8 COCCC(=O)C(O)CO 1458a_100011215603_100000233755 [0,2,0,0,0,0|1,1,0]=4 4027 B9R0.8 COCCC(C)C(=O)OC 34a_100138415774_100000034942 [0,2,0,0,0,0|0,1,0]=3 4028 B9R0.8 COCSC(C)C(=O)OC 62a_100000211248_100000766300 [0,2,0,0,0,0|0,1,0]=3 4029 B9R0.8 COCSC(C)C(=O)OC 62a_100000766300_100000211248 [0,2,0,0,0,0|0,1,0]=3 4030 B9R0.8 CSCCC(=O)C(C)C#N 1458a_100000174002_100000703298 [0,2,0,0,0,0|1,0,0]=3 4031 B9R0.8 CSCCC(=O)C(C)C#N 1458a_100000753662_100000751147 [0,2,0,0,0,0|1,0,0]=3 4032 B9R0.8 CSCCC(=O)C(C)SC 1458a_100000149566_100000751147 [0,2,0,0,0,0|0,1,0]=3 4033 B9R0.8 CSCCC(=O)C(O)CO 1458a_100011215603_100000751147 [0,2,0,0,0,0|1,0,0]=3 4034 B9R0.8 CSCCC(O)C(=O)CF 1458a_100000685904_100015361967 [0,2,0,0,0,0|2,0,0]=4 4035 B9R0.8 CSCCN(C)C(=O)CO 240690a_100000686725_100000210174 [0,2,0,0,0,0|2,0,0]=4 4036 B9R0.8 CSCCN(C)C(=O)CO 527a_100000686725_100000210174 [0,2,0,0,0,0|2,0,0]=4 4037 B9R0.8 CSCOC(C)C(=O)NN 34a_100000725659_100011218213 [0,2,0,0,0,0|2,0,0]=4 4038 B9R0.18 C#CCCC(=O)C=COC 1458a_100016268678_100000753159 [0,2,0,0,0,0|1,0,1]=4 4039 B9R0.18 C#CCCC(=O)CCCC 1458a_100000210183_100000753159 [0,2,0,0,0,0|2,0,0]=4 4040 B9R0.18 C#CCCC(=O)CCCC 1458a_100000692101_100000210211 [0,2,0,0,0,0|2,0,0]=4 4041 B9R0.18 C#CCCC(=O)CCOC 1458a_100000692101_100000233755 [0,2,0,0,0,0|1,0,1]=4 4042 B9R0.18 C#CCCC(=O)CCOC 1458a_100000749529_100000753159 [0,2,0,0,0,0|1,0,1]=4 4043 B9R0.18 C#CCCC(=O)CCOC 34a_100011064465_200000210301 [0,2,0,0,0,0|1,0,1]=4 4044 B9R0.18 C#CCCC(=O)CCOC 7a_100011064465_200000210301 [0,2,0,0,0,0|1,0,1]=4 4045 B9R0.18 C#CCCC(=O)CCO[13CH3] 34a_100011064465_200025704644 [0,2,0,0,0,0|1,0,1]=4 4046 B9R0.18 C#CCCC(=O)CCO[13CH3] 7a_100011064465_200025704644 [0,2,0,0,0,0|1,0,1]=4 4047 B9R0.18 C#CCCC(=O)CCSC 1458a_100000174002_100000753159 [0,2,0,0,0,0|1,0,0]=3 4048 B9R0.18 C#CCCC(=O)CCSC 1458a_100000692101_100000751147 [0,2,0,0,0,0|1,0,0]=3 4049 B9R0.18 C#CCCC(=O)COCC 1458a_100000211967_100000753159 [0,2,0,0,0,0|1,0,1]=4 4050 B9R0.18 C#CCNC(=O)CCCC 11a_100000212058_100000210183 [0,2,0,0,0,0|2,0,0]=4 4051 B9R0.18 C#CCNC(=O)CCCC 1626a_100000212058_100000210183 [0,2,0,0,0,0|2,0,0]=4 4052 B9R0.18 C#CCNC(=O)CCCC 240690a_100000212058_100000210183 [0,2,0,0,0,0|2,0,0]=4 4053 B9R0.18 C#CCNC(=O)CCCC 527a_100000212058_100000210183 [0,2,0,0,0,0|2,0,0]=4 4054 B9R0.18 C#CCNC(=O)CCOC 11a_100000212058_100000749529 [0,2,0,0,0,0|1,1,0]=4 4055 B9R0.18 C#CCNC(=O)CCOC 1626a_100000212058_100000749529 [0,2,0,0,0,0|1,1,0]=4 4056 B9R0.18 C#CCNC(=O)CCOC 240690a_100000212058_100000749529 [0,2,0,0,0,0|1,1,0]=4 4057 B9R0.18 C#CCNC(=O)CCOC 527a_100000212058_100000749529 [0,2,0,0,0,0|1,1,0]=4 4058 B9R0.18 C#CCNC(=O)CCSC 11a_100000212058_100000174002 [0,2,0,0,0,0|1,0,0]=3 4059 B9R0.18 C#CCNC(=O)CCSC 1626a_100000212058_100000174002 [0,2,0,0,0,0|1,0,0]=3 4060 B9R0.18 C#CCNC(=O)CCSC 240690a_100000212058_100000174002 [0,2,0,0,0,0|1,0,0]=3 4061 B9R0.18 C#CCNC(=O)CCSC 527a_100000212058_100000174002 [0,2,0,0,0,0|1,0,0]=3 4062 B9R0.18 C/C=C/CC(=O)C=COC 1458a_100016268678_100102629194 [0,2,0,0,0,0|1,0,1]=4 4063 B9R0.18 C/C=C/CC(=O)CCCC 1458a_100000210183_100102629194 [0,2,0,0,0,0|2,0,0]=4 4064 B9R0.18 C/C=C/CC(=O)CCOC 1458a_100000749529_100102629194 [0,2,0,0,0,0|1,0,1]=4 4065 B9R0.18 C/C=C/CC(=O)CCSC 1458a_100000174002_100102629194 [0,2,0,0,0,0|1,0,0]=3 4066 B9R0.18 C/C=C/CC(=O)COCC 1458a_100000211967_100102629194 [0,2,0,0,0,0|1,0,1]=4 4067 B9R0.18 C=CC=CC(=O)CCSC 1458a_100016291481_100000751147 [0,2,0,0,0,0|1,0,1]=4 4068 B9R0.18 C=CCCC(=O)C=COC 1458a_100016268678_100000754431 [0,2,0,0,0,0|1,0,1]=4 4069 B9R0.18 C=CCCC(=O)CCCC 1458a_100000210183_100000754431 [0,2,0,0,0,0|2,0,0]=4 4070 B9R0.18 C=CCCC(=O)CCCC 1458a_100000749702_100000210211 [0,2,0,0,0,0|2,0,0]=4 4071 B9R0.18 C=CCCC(=O)CCOC 1458a_100000749529_100000754431 [0,2,0,0,0,0|1,0,1]=4 4072 B9R0.18 C=CCCC(=O)CCOC 1458a_100000749702_100000233755 [0,2,0,0,0,0|1,0,1]=4 4073 B9R0.18 C=CCCC(=O)CCSC 1458a_100000174002_100000754431 [0,2,0,0,0,0|1,0,0]=3 4074 B9R0.18 C=CCCC(=O)CCSC 1458a_100000749702_100000751147 [0,2,0,0,0,0|1,0,0]=3 4075 B9R0.18 C=CCCC(=O)COCC 1458a_100000211967_100000754431 [0,2,0,0,0,0|1,0,1]=4 4076 B9R0.18 C=CCNC(=O)CCCC 1626a_100020586998_100000210183 [0,2,0,0,0,0|2,0,0]=4 4077 B9R0.18 C=CCNC(=O)CCCC 240690a_100020586998_100000210183 [0,2,0,0,0,0|2,0,0]=4 4078 B9R0.18 C=CCNC(=O)CCCC 527a_100020586998_100000210183 [0,2,0,0,0,0|2,0,0]=4 4079 B9R0.18 C=CCNC(=O)CCNC 2230a_106832991635_100011222895 [0,2,0,0,0,0|2,0,0]=4 4080 B9R0.18 C=CCNC(=O)CCNC 7a_106832991635_100011222895 [0,2,0,0,0,0|2,0,0]=4 4081 B9R0.18 C=CCNC(=O)CCOC 1626a_100020586998_100000749529 [0,2,0,0,0,0|1,1,0]=4 4082 B9R0.18 C=CCNC(=O)CCOC 240690a_100020586998_100000749529 [0,2,0,0,0,0|1,1,0]=4 4083 B9R0.18 C=CCNC(=O)CCOC 527a_100020586998_100000749529 [0,2,0,0,0,0|1,1,0]=4 4084 B9R0.18 C=CCNC(=O)CCSC 1626a_100020586998_100000174002 [0,2,0,0,0,0|1,0,0]=3 4085 B9R0.18 C=CCNC(=O)CCSC 240690a_100020586998_100000174002 [0,2,0,0,0,0|1,0,0]=3 4086 B9R0.18 C=CCNC(=O)CCSC 527a_100020586998_100000174002 [0,2,0,0,0,0|1,0,0]=3 4087 B9R0.18 C=CCNC(=O)CCSC 62a_100011222895_200000210301 [0,2,0,0,0,0|1,0,0]=3 4088 B9R0.18 C=CCNC(=O)CCSC 62a_200000210301_100011222895 [0,2,0,0,0,0|1,0,0]=3 4089 B9R0.18 C=CCNC(=O)CCS[13CH3] 62a_100011222895_200025704644 [0,2,0,0,0,0|1,0,0]=3 4090 B9R0.18 C=CCNC(=O)CCS[13CH3] 62a_200025704644_100011222895 [0,2,0,0,0,0|1,0,0]=3 4091 B9R0.18 C=CCOC(=O)CNCC 2230a_100015525214_100000033060 [0,2,0,0,0,0|2,0,0]=4 4092 B9R0.18 C=CCOC(=O)COCC 34a_100121572206_100000033060 [0,2,0,0,0,0|2,0,0]=4 4093 B9R0.18 C=CCOC(=O)CSCC 62a_100000033060_100000210202 [0,2,0,0,0,0|2,0,0]=4 4094 B9R0.18 C=CCOC(=O)CSCC 62a_100000210202_100000033060 [0,2,0,0,0,0|2,0,0]=4 4095 B9R0.18 CC#CCC(=O)C=COC 1458a_100016268678_100000748600 [0,2,0,0,0,0|1,0,1]=4 4096 B9R0.18 CC#CCC(=O)CCCC 1458a_100000210183_100000748600 [0,2,0,0,0,0|2,0,0]=4 4097 B9R0.18 CC#CCC(=O)CCOC 1458a_100000749529_100000748600 [0,2,0,0,0,0|1,0,1]=4 4098 B9R0.18 CC#CCC(=O)CCSC 1458a_100000174002_100000748600 [0,2,0,0,0,0|1,0,0]=3 4099 B9R0.18 CC#CCC(=O)COCC 1458a_100000211967_100000748600 [0,2,0,0,0,0|1,0,1]=4 4100 B9R0.18 CC=CCC(=O)C=COC 1458a_100016268678_100000070051 [0,2,0,0,0,0|1,0,1]=4 4101 B9R0.18 CC=CCC(=O)CCCC 1458a_100000210183_100000070051 [0,2,0,0,0,0|2,0,0]=4 4102 B9R0.18 CC=CCC(=O)CCCC 1458a_100121576822_100000210211 [0,2,0,0,0,0|2,0,0]=4 4103 B9R0.18 CC=CCC(=O)CCOC 1458a_100000749529_100000070051 [0,2,0,0,0,0|1,0,1]=4 4104 B9R0.18 CC=CCC(=O)CCOC 1458a_100121576822_100000233755 [0,2,0,0,0,0|1,0,1]=4 4105 B9R0.18 CC=CCC(=O)CCSC 1458a_100000174002_100000070051 [0,2,0,0,0,0|1,0,0]=3 4106 B9R0.18 CC=CCC(=O)CCSC 1458a_100121576822_100000751147 [0,2,0,0,0,0|1,0,0]=3 4107 B9R0.18 CC=CCC(=O)COCC 1458a_100000211967_100000070051 [0,2,0,0,0,0|1,0,1]=4 4108 B9R0.18 CC=NNC(=O)CCCC 4a_100000189769_200000210099 [0,2,0,0,0,0|2,0,0]=4 4109 B9R0.18 CC=NNC(=O)CCOC 4a_100011260505_200000210099 [0,2,0,0,0,0|1,1,0]=4 4110 B9R0.18 CCC#CC(=O)CCCC 1458a_100011827653_100000210211 [0,2,0,0,0,0|2,0,0]=4 4111 B9R0.18 CCC#CC(=O)CCOC 1458a_100011827653_100000233755 [0,2,0,0,0,0|1,1,0]=4 4112 B9R0.18 CCC#CC(=O)CCSC 1458a_100011827653_100000751147 [0,2,0,0,0,0|1,0,0]=3 4113 B9R0.18 CCC=CC(=O)CCCC 1458a_100000212282_100000210211 [0,2,0,0,0,0|2,0,0]=4 4114 B9R0.18 CCC=CC(=O)CCOC 1458a_100000212282_100000233755 [0,2,0,0,0,0|1,1,0]=4 4115 B9R0.18 CCC=CC(=O)CCSC 1458a_100000212282_100000751147 [0,2,0,0,0,0|1,0,0]=3 4116 B9R0.18 CCCCC(=O)C#CCO 1458a_100000049017_100000210211 [0,2,0,0,0,0|2,0,0]=4 4117 B9R0.18 CCCCC(=O)C=COC 1458a_100016268678_100000210211 [0,2,0,0,0,0|1,0,0]=3 4118 B9R0.18 CCCCC(=O)CCC#N 1458a_100000210183_100011215226 [0,2,0,0,0,0|2,0,0]=4 4119 B9R0.18 CCCCC(=O)CCC#N 1458a_100011934036_100000210211 [0,2,0,0,0,0|2,0,0]=4 4120 B9R0.18 CCCCC(=O)CCCC 1458a_100000210183_100000210211 [0,2,0,0,0,0|2,0,0]=4 4121 B9R0.18 CCCCC(=O)CCCF 1458a_100000210183_100011934791 [0,2,0,0,0,0|2,0,0]=4 4122 B9R0.18 CCCCC(=O)CCCO 1458a_100000210183_100011215043 [0,2,0,0,0,0|2,0,0]=4 4123 B9R0.18 CCCCC(=O)CCOC 1458a_100000210183_100000233755 [0,2,0,0,0,0|1,0,0]=3 4124 B9R0.18 CCCCC(=O)CCOC 1458a_100000749529_100000210211 [0,2,0,0,0,0|1,0,0]=3 4125 B9R0.18 CCCCC(=O)CCSC 1458a_100000174002_100000210211 [0,2,0,0,0,0|1,0,0]=3 4126 B9R0.18 CCCCC(=O)CCSC 1458a_100000210183_100000751147 [0,2,0,0,0,0|1,0,0]=3 4127 B9R0.18 CCCCC(=O)COCC 1458a_100000211967_100000210211 [0,2,0,0,0,0|1,0,0]=3 4128 B9R0.18 CCCCC(=O)CSCC 1458a_100000230394_100000210211 [0,2,0,0,0,0|1,1,0]=4 4129 B9R0.18 CCCCC(=O)NCC#N 1626a_100000734998_100000210183 [0,2,0,0,0,0|2,0,0]=4 4130 B9R0.18 CCCCC(=O)NCC#N 527a_100000734998_100000210183 [0,2,0,0,0,0|2,0,0]=4 4131 B9R0.18 CCCCC(=O)NCCC 11a_100020643023_100000210183 [0,2,0,0,0,0|2,0,0]=4 4132 B9R0.18 CCCCC(=O)NCCC 1626a_100020643023_100000210183 [0,2,0,0,0,0|2,0,0]=4 4133 B9R0.18 CCCCC(=O)NCCC 240690a_100020643023_100000210183 [0,2,0,0,0,0|2,0,0]=4 4134 B9R0.18 CCCCC(=O)NCCC 527a_100020643023_100000210183 [0,2,0,0,0,0|2,0,0]=4 4135 B9R0.18 CCCCC(=O)NCCF 11a_100000724931_100000210183 [0,2,0,0,0,0|2,0,0]=4 4136 B9R0.18 CCCCC(=O)NCCF 1626a_100000724931_100000210183 [0,2,0,0,0,0|2,0,0]=4 4137 B9R0.18 CCCCC(=O)NCCF 240690a_100000724931_100000210183 [0,2,0,0,0,0|2,0,0]=4 4138 B9R0.18 CCCCC(=O)NCCF 527a_100000724931_100000210183 [0,2,0,0,0,0|2,0,0]=4 4139 B9R0.18 CCCCC(=O)NCCO 240690a_100000210304_100000210183 [0,2,0,0,0,0|2,0,0]=4 4140 B9R0.18 CCCCC(=O)NCCO 527a_100000210304_100000210183 [0,2,0,0,0,0|2,0,0]=4 4141 B9R0.18 CCCCC(=O)NNCC 22a_100000756455_100000210183 [0,2,0,0,0,0|2,0,0]=4 4142 B9R0.18 CCCNC(=O)C=COC 1626a_100020643023_100016268678 [0,2,0,0,0,0|2,0,0]=4 4143 B9R0.18 CCCNC(=O)C=COC 240690a_100020643023_100016268678 [0,2,0,0,0,0|2,0,0]=4 4144 B9R0.18 CCCNC(=O)CCOC 11a_100020643023_100000749529 [0,2,0,0,0,0|1,1,0]=4 4145 B9R0.18 CCCNC(=O)CCOC 1626a_100020643023_100000749529 [0,2,0,0,0,0|1,1,0]=4 4146 B9R0.18 CCCNC(=O)CCOC 240690a_100020643023_100000749529 [0,2,0,0,0,0|1,1,0]=4 4147 B9R0.18 CCCNC(=O)CCOC 527a_100020643023_100000749529 [0,2,0,0,0,0|1,1,0]=4 4148 B9R0.18 CCCNC(=O)CCSC 11a_100020643023_100000174002 [0,2,0,0,0,0|1,0,0]=3 4149 B9R0.18 CCCNC(=O)CCSC 1626a_100020643023_100000174002 [0,2,0,0,0,0|1,0,0]=3 4150 B9R0.18 CCCNC(=O)CCSC 240690a_100020643023_100000174002 [0,2,0,0,0,0|1,0,0]=3 4151 B9R0.18 CCCNC(=O)CCSC 527a_100020643023_100000174002 [0,2,0,0,0,0|1,0,0]=3 4152 B9R0.18 CCCNC(=O)COCC 11a_100020643023_100000211967 [0,2,0,0,0,0|2,0,0]=4 4153 B9R0.18 CCCNC(=O)COCC 1626a_100020643023_100000211967 [0,2,0,0,0,0|2,0,0]=4 4154 B9R0.18 CCCNC(=O)COCC 240690a_100020643023_100000211967 [0,2,0,0,0,0|2,0,0]=4 4155 B9R0.18 CCCNC(=O)COCC 34a_100121572206_100000183358 [0,2,0,0,0,0|2,0,0]=4 4156 B9R0.18 CCCNC(=O)COCC 527a_100020643023_100000211967 [0,2,0,0,0,0|2,0,0]=4 4157 B9R0.18 CCCOC(=O)CNCC 2230a_100015525214_200011215008 [0,2,0,0,0,0|2,0,0]=4 4158 B9R0.18 CCCOC(=O)COCC 34a_100121572206_200011215008 [0,2,0,0,0,0|2,0,0]=4 4159 B9R0.18 CCCOC(=O)CSCC 62a_100000210202_200011215008 [0,2,0,0,0,0|2,0,0]=4 4160 B9R0.18 CCCOC(=O)CSCC 62a_200011215008_100000210202 [0,2,0,0,0,0|2,0,0]=4 4161 B9R0.18 CCCOC(=O)OCNC 34a_100102657272_200000139673 [0,2,0,0,0,0|2,0,0]=4 4162 B9R0.18 CCCOC(=O)OCNC 7a_106832991635_200000139673 [0,2,0,0,0,0|2,0,0]=4 4163 B9R0.18 CCCOC(=O)OCOC 34a_100138415774_200000139673 [0,2,0,0,0,0|1,1,0]=4 4164 B9R0.18 CCCOC(=O)OCSC 62a_200000210301_200000139673 [0,2,0,0,0,0|1,0,0]=3 4165 B9R0.18 CCCOC(=O)OCS[13CH3] 62a_200025704644_200000139673 [0,2,0,0,0,0|1,0,0]=3 4166 B9R0.18 CCNN=C(C)CCSC 4a_100000756455_100011217047 [0,2,0,0,0,0|2,0,0]=4 4167 B9R0.18 CCNNC(=O)CCOC 22a_100000756455_100000749529 [0,2,0,0,0,0|1,1,0]=4 4168 B9R0.18 CCNNC(=O)CCSC 22a_100000756455_100000174002 [0,2,0,0,0,0|1,0,0]=3 4169 B9R0.18 CCOCC(=O)CCC#N 1458a_100000211967_100011215226 [0,2,0,0,0,0|2,0,0]=4 4170 B9R0.18 CCOCC(=O)CCCF 1458a_100000211967_100011934791 [0,2,0,0,0,0|2,0,0]=4 4171 B9R0.18 CCOCC(=O)CCCO 1458a_100000211967_100011215043 [0,2,0,0,0,0|2,0,0]=4 4172 B9R0.18 CCOCC(=O)CCOC 1458a_100000211967_100000233755 [0,2,0,0,0,0|0,1,0]=3 4173 B9R0.18 CCOCC(=O)CCSC 1458a_100000211967_100000751147 [0,2,0,0,0,0|0,0,0]=2 4174 B9R0.18 CCOCN(C)CCSC 269982a_100000686725_100000739092 [0,2,0,0,0,0|2,0,0]=4 4175 B9R0.18 CCOC[C@@H](N)CCSC 34a_100011827619_100000210202 [0,2,0,0,0,0|1,0,1]=4 4176 B9R0.18 CCSCC(=O)CCOC 1458a_100000230394_100000233755 [0,2,0,0,0,0|0,2,0]=4 4177 B9R0.18 CCSCC(=O)CCSC 1458a_100000230394_100000751147 [0,2,0,0,0,0|0,1,0]=3 4178 B9R0.18 COC=CC(=O)CCC#N 1458a_100016268678_100011215226 [0,2,0,0,0,0|2,0,0]=4 4179 B9R0.18 COC=CC(=O)CCCF 1458a_100016268678_100011934791 [0,2,0,0,0,0|2,0,0]=4 4180 B9R0.18 COC=CC(=O)CCCO 1458a_100016268678_100011215043 [0,2,0,0,0,0|2,0,0]=4 4181 B9R0.18 COC=CC(=O)CCOC 1458a_100016268678_100000233755 [0,2,0,0,0,0|0,1,0]=3 4182 B9R0.18 COC=CC(=O)CCSC 1458a_100016268678_100000751147 [0,2,0,0,0,0|0,0,0]=2 4183 B9R0.18 COCCC(=O)C#CCO 1458a_100000049017_100000233755 [0,2,0,0,0,0|1,1,0]=4 4184 B9R0.18 COCCC(=O)CCC#N 1458a_100000749529_100011215226 [0,2,0,0,0,0|1,1,0]=4 4185 B9R0.18 COCCC(=O)CCC#N 1458a_100011934036_100000233755 [0,2,0,0,0,0|1,1,0]=4 4186 B9R0.18 COCCC(=O)CCCF 1458a_100000749529_100011934791 [0,2,0,0,0,0|1,1,0]=4 4187 B9R0.18 COCCC(=O)CCCO 1458a_100000749529_100011215043 [0,2,0,0,0,0|1,1,0]=4 4188 B9R0.18 COCCC(=O)CCOC 1458a_100000749529_100000233755 [0,2,0,0,0,0|0,1,0]=3 4189 B9R0.18 COCCC(=O)CCSC 1458a_100000174002_100000233755 [0,2,0,0,0,0|0,0,0]=2 4190 B9R0.18 COCCC(=O)CCSC 1458a_100000749529_100000751147 [0,2,0,0,0,0|0,0,0]=2 4191 B9R0.18 COCCC(=O)NCC#N 1626a_100000734998_100000749529 [0,2,0,0,0,0|1,1,0]=4 4192 B9R0.18 COCCC(=O)NCC#N 527a_100000734998_100000749529 [0,2,0,0,0,0|1,1,0]=4 4193 B9R0.18 COCCC(=O)NCCF 11a_100000724931_100000749529 [0,2,0,0,0,0|1,1,0]=4 4194 B9R0.18 COCCC(=O)NCCF 1626a_100000724931_100000749529 [0,2,0,0,0,0|1,1,0]=4 4195 B9R0.18 COCCC(=O)NCCF 240690a_100000724931_100000749529 [0,2,0,0,0,0|1,1,0]=4 4196 B9R0.18 COCCC(=O)NCCF 527a_100000724931_100000749529 [0,2,0,0,0,0|1,1,0]=4 4197 B9R0.18 COCCC(=O)NCCO 240690a_100000210304_100000749529 [0,2,0,0,0,0|1,1,0]=4 4198 B9R0.18 COCCC(=O)NCCO 527a_100000210304_100000749529 [0,2,0,0,0,0|1,1,0]=4 4199 B9R0.18 COCCN(C)CCSC 2230a_100000686725_100011201679 [0,2,0,0,0,0|2,0,0]=4 4200 B9R0.18 COCCN(C)CCSC 2230a_100000743101_100000751147 [0,2,0,0,0,0|2,0,0]=4 4201 B9R0.18 COCCN(C)CCSC 269982a_100000686725_100000233755 [0,2,0,0,0,0|2,0,0]=4 4202 B9R0.18 COCCN(C)CCSC 269982a_100000743101_100000212216 [0,2,0,0,0,0|2,0,0]=4 4203 B9R0.18 CSCCC(=O)C#CCO 1458a_100000049017_100000751147 [0,2,0,0,0,0|1,0,0]=3 4204 B9R0.18 CSCCC(=O)CCC#N 1458a_100000174002_100011215226 [0,2,0,0,0,0|1,0,0]=3 4205 B9R0.18 CSCCC(=O)CCC#N 1458a_100011934036_100000751147 [0,2,0,0,0,0|1,0,0]=3 4206 B9R0.18 CSCCC(=O)CCCF 1458a_100000174002_100011934791 [0,2,0,0,0,0|1,0,0]=3 4207 B9R0.18 CSCCC(=O)CCCO 1458a_100000174002_100011215043 [0,2,0,0,0,0|1,0,0]=3 4208 B9R0.18 CSCCC(=O)CCSC 1458a_100000174002_100000751147 [0,2,0,0,0,0|0,1,0]=3 4209 B9R0.18 CSCCC(=O)NCC#N 1626a_100000734998_100000174002 [0,2,0,0,0,0|1,0,0]=3 4210 B9R0.18 CSCCC(=O)NCC#N 527a_100000734998_100000174002 [0,2,0,0,0,0|1,0,0]=3 4211 B9R0.18 CSCCC(=O)NCCF 11a_100000724931_100000174002 [0,2,0,0,0,0|1,0,0]=3 4212 B9R0.18 CSCCC(=O)NCCF 1626a_100000724931_100000174002 [0,2,0,0,0,0|1,0,0]=3 4213 B9R0.18 CSCCC(=O)NCCF 240690a_100000724931_100000174002 [0,2,0,0,0,0|1,0,0]=3 4214 B9R0.18 CSCCC(=O)NCCF 527a_100000724931_100000174002 [0,2,0,0,0,0|1,0,0]=3 4215 B9R0.18 CSCCC(=O)NCCO 240690a_100000210304_100000174002 [0,2,0,0,0,0|1,0,0]=3 4216 B9R0.18 CSCCC(=O)NCCO 527a_100000210304_100000174002 [0,2,0,0,0,0|1,0,0]=3 4217 B9R0.18 CSCC[C@H](N)COCF 34a_100011827619_100015361967 [0,2,0,0,0,0|1,0,1]=4 4218 B9R0.34 C#CCC(=O)CC(=O)OC 1458a_100000211351_100000184674 [0,2,0,0,0,0|1,0,1]=4 4219 B9R0.34 C#CCC(=O)CC(=O)OC 1458a_100011220946_100000747449 [0,2,0,0,0,0|1,0,1]=4 4220 B9R0.34 C#CCN(C)CC(=O)OC 2230a_100000198492_100000038162 [0,2,0,0,0,0|1,0,1]=4 4221 B9R0.34 C#CCN(C)CC(=O)OC 2230a_100000225692_100000747449 [0,2,0,0,0,0|1,0,1]=4 4222 B9R0.34 C#CCN(C)CC(=O)OC 34a_100000225692_100000747449 [0,2,0,0,0,0|1,0,1]=4 4223 B9R0.34 C=C(CCC)CC(=O)CC 1458a_100000138376_100000210202 [0,2,0,0,0,0|2,0,0]=4 4224 B9R0.34 C=C(CCC)CC(=O)NC 11a_106832991635_100000138376 [0,2,0,0,0,0|2,0,0]=4 4225 B9R0.34 C=C(CCC)CC(=O)NC 240690a_100102657272_100000138376 [0,2,0,0,0,0|2,0,0]=4 4226 B9R0.34 C=C(CCC)CC(=O)NC 527a_100102657272_100000138376 [0,2,0,0,0,0|2,0,0]=4 4227 B9R0.34 C=CCC(=O)CC(=O)OC 1458a_100000210193_100000747449 [0,2,0,0,0,0|1,0,1]=4 4228 B9R0.34 C=CCC(=O)CC(=O)OC 1458a_100000211351_100000210623 [0,2,0,0,0,0|1,0,1]=4 4229 B9R0.34 C=CCN(C)CC(=O)OC 2230a_100000198492_100000210623 [0,2,0,0,0,0|1,0,1]=4 4230 B9R0.34 C=CCN(C)CC(=O)OC 2230a_100000225617_100000747449 [0,2,0,0,0,0|1,0,1]=4 4231 B9R0.34 C=CCN(C)CC(=O)OC 269982a_100000225617_100000747449 [0,2,0,0,0,0|1,0,1]=4 4232 B9R0.34 CC#CC(=O)CC(=O)OC 1458a_100000763181_100000747449 [0,2,0,0,0,0|1,0,1]=4 4233 B9R0.34 CC#CC(=O)CC(C)CC 1458a_100000763181_100000748023 [0,2,0,0,0,0|2,0,0]=4 4234 B9R0.34 CC#CC(=O)CC(O)CC 1458a_100000763181_100011218378 [0,2,0,0,0,0|2,0,0]=4 4235 B9R0.34 CC#CC(=O)C[C@@H](C)CC 1458a_100000763181_100009816398 [0,2,0,0,0,0|2,0,0]=4 4236 B9R0.34 CC=CC(=O)CC(=O)OC 1458a_100000210699_100000747449 [0,2,0,0,0,0|1,0,1]=4 4237 B9R0.34 CC=CC(=O)CC(C)CC 1458a_100000210699_100000748023 [0,2,0,0,0,0|2,0,0]=4 4238 B9R0.34 CC=CC(=O)CC(O)CC 1458a_100000210699_100011218378 [0,2,0,0,0,0|2,0,0]=4 4239 B9R0.34 CC=CC(=O)C[C@@H](C)CC 1458a_100000210699_100009816398 [0,2,0,0,0,0|2,0,0]=4 4240 B9R0.34 CCC(=O)CC(=O)COC 1458a_100000210968_100000747405 [0,2,0,0,0,0|1,0,1]=4 4241 B9R0.34 CCC(=O)CC(=O)CSC 1458a_100000184570_100000747405 [0,2,0,0,0,0|1,0,0]=3 4242 B9R0.34 CCC(=O)N[C@H](C)COC 11a_100000764878_100000210414 [0,2,0,0,0,0|1,1,0]=4 4243 B9R0.34 CCC(=O)N[C@H](C)COC 1626a_100000764878_100000210414 [0,2,0,0,0,0|1,1,0]=4 4244 B9R0.34 CCC(=O)N[C@H](C)COC 240690a_100000764878_100000210414 [0,2,0,0,0,0|1,1,0]=4 4245 B9R0.34 CCC(=O)N[C@H](C)COC 527a_100000764878_100000210414 [0,2,0,0,0,0|1,1,0]=4 4246 B9R0.34 CCC(C)CC(=O)CCF 1458a_100000708755_100011217306 [0,2,0,0,0,0|2,0,0]=4 4247 B9R0.34 CCC(C)CC(=O)CCO 1458a_100000708755_100000211926 [0,2,0,0,0,0|2,0,0]=4 4248 B9R0.34 CCC(C)CC(=O)CCO 1458a_100011216618_100000748023 [0,2,0,0,0,0|2,0,0]=4 4249 B9R0.34 CCC(C)CC(=O)COC 1458a_100000210968_100000748023 [0,2,0,0,0,0|1,0,0]=3 4250 B9R0.34 CCC(C)CC(=O)CSC 1458a_100000184570_100000748023 [0,2,0,0,0,0|1,1,0]=4 4251 B9R0.34 CCC(C)CC(=O)NNC 22a_100016993582_100000708755 [0,2,0,0,0,0|2,0,0]=4 4252 B9R0.34 CCC(C)NC(=O)COC 11a_100000209981_100000210968 [0,2,0,0,0,0|2,0,0]=4 4253 B9R0.34 CCC(C)NC(=O)COC 1626a_100000209981_100000210968 [0,2,0,0,0,0|2,0,0]=4 4254 B9R0.34 CCC(C)NC(=O)COC 240690a_100000209981_100000210968 [0,2,0,0,0,0|2,0,0]=4 4255 B9R0.34 CCC(C)NC(=O)COC 34a_100138415774_100000182745 [0,2,0,0,0,0|2,0,0]=4 4256 B9R0.34 CCC(C)NC(=O)COC 527a_100000209981_100000210968 [0,2,0,0,0,0|2,0,0]=4 4257 B9R0.34 CCC(O)CC(=O)CCF 1458a_100011667805_100011217306 [0,2,0,0,0,0|2,0,0]=4 4258 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011216618_100011218378 [0,2,0,0,0,0|2,0,0]=4 4259 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011667805_100000211926 [0,2,0,0,0,0|2,0,0]=4 4260 B9R0.34 CCC(O)CC(=O)COC 1458a_100000210968_100011218378 [0,2,0,0,0,0|1,0,0]=3 4261 B9R0.34 CCC(O)CC(=O)CSC 1458a_100000184570_100011218378 [0,2,0,0,0,0|1,1,0]=4 4262 B9R0.34 CCC(O)CC(=O)NNC 22a_100016993582_100011667805 [0,2,0,0,0,0|2,0,0]=4 4263 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000210414_100000747444 [0,2,0,0,0,0|2,0,0]=4 4264 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000211992_100000747405 [0,2,0,0,0,0|2,0,0]=4 4265 B9R0.34 CCCC(=O)CC(=O)NC 1458a_100000211992_100000183359 [0,2,0,0,0,0|2,0,0]=4 4266 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211351_100000210303 [0,2,0,0,0,0|1,0,0]=3 4267 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211992_100000747449 [0,2,0,0,0,0|1,0,0]=3 4268 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000211992_100000748023 [0,2,0,0,0,0|2,0,0]=4 4269 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000708755_100000210303 [0,2,0,0,0,0|2,0,0]=4 4270 B9R0.34 CCCC(=O)CC(O)CC 1458a_100000211992_100011218378 [0,2,0,0,0,0|2,0,0]=4 4271 B9R0.34 CCCC(=O)CC(O)CC 1458a_100011667805_100000210303 [0,2,0,0,0,0|2,0,0]=4 4272 B9R0.34 CCCC(=O)C[C@@H](C)CC 1458a_100000211992_100009816398 [0,2,0,0,0,0|2,0,0]=4 4273 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000210414_100011216630 [0,2,0,0,0,0|2,0,0]=4 4274 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000748435_100000210202 [0,2,0,0,0,0|2,0,0]=4 4275 B9R0.34 CCCC(C)CC(=O)NC 11a_106832991635_100000748435 [0,2,0,0,0,0|2,0,0]=4 4276 B9R0.34 CCCC(C)CC(=O)NC 1626a_100102657272_100000748435 [0,2,0,0,0,0|2,0,0]=4 4277 B9R0.34 CCCC(C)CC(=O)NC 240690a_100102657272_100000748435 [0,2,0,0,0,0|2,0,0]=4 4278 B9R0.34 CCCC(C)CC(=O)NC 527a_100102657272_100000748435 [0,2,0,0,0,0|2,0,0]=4 4279 B9R0.34 CCCC(C)NC(=O)CC 11a_100000741246_100000210414 [0,2,0,0,0,0|2,0,0]=4 4280 B9R0.34 CCCC(C)NC(=O)CC 1626a_100000741246_100000210414 [0,2,0,0,0,0|2,0,0]=4 4281 B9R0.34 CCCC(C)NC(=O)CC 240690a_100000741246_100000210414 [0,2,0,0,0,0|2,0,0]=4 4282 B9R0.34 CCCC(C)NC(=O)CC 527a_100000741246_100000210414 [0,2,0,0,0,0|2,0,0]=4 4283 B9R0.34 CCCC(C)NC(=O)NC 2708a_100000741246_106832991635 [0,2,0,0,0,0|2,0,0]=4 4284 B9R0.34 CCCC(C)NC(=O)NC 2708a_100102657272_100000741246 [0,2,0,0,0,0|2,0,0]=4 4285 B9R0.34 CCCC(C)NC(=O)NC 273464a_100000741246_100102657272 [0,2,0,0,0,0|2,0,0]=4 4286 B9R0.34 CCCC(C)NC(=O)NC 512a_100000741246_100102657272 [0,2,0,0,0,0|2,0,0]=4 4287 B9R0.34 CCCC(C)NC(=O)NC 512a_106832991638_100000741246 [0,2,0,0,0,0|2,0,0]=4 4288 B9R0.34 CCCN(C)CC(=O)CC 269982a_100000747261_100000747405 [0,2,0,0,0,0|2,0,0]=4 4289 B9R0.34 CCCN(C)CC(=O)NC 2230a_100000189611_100000210303 [0,2,0,0,0,0|2,0,0]=4 4290 B9R0.34 CCCN(C)CC(=O)NC 2230a_100000747261_100000183359 [0,2,0,0,0,0|2,0,0]=4 4291 B9R0.34 CCCN(C)CC(=O)NC 269982a_100000747261_100000183359 [0,2,0,0,0,0|2,0,0]=4 4292 B9R0.34 CCCN(C)CC(=O)OC 2230a_100000198492_100000210303 [0,2,0,0,0,0|1,0,0]=3 4293 B9R0.34 CCCN(C)CC(=O)OC 2230a_100000747261_100000747449 [0,2,0,0,0,0|1,0,0]=3 4294 B9R0.34 CCCN(C)CC(=O)OC 269982a_100000747261_100000747449 [0,2,0,0,0,0|1,0,0]=3 4295 B9R0.34 CCCS(=O)CC(=O)CC 1458a_100011387404_100000210202 [0,2,0,0,0,0|2,0,0]=4 4296 B9R0.34 CCCS(=O)CC(=O)NC 11a_106832991635_100011387404 [0,2,0,0,0,0|2,0,0]=4 4297 B9R0.34 CCCS(=O)CC(=O)NC 1626a_100102657272_100011387404 [0,2,0,0,0,0|2,0,0]=4 4298 B9R0.34 CCCS(=O)CC(=O)NC 240690a_100102657272_100011387404 [0,2,0,0,0,0|2,0,0]=4 4299 B9R0.34 CCCS(=O)CC(=O)NC 527a_100102657272_100011387404 [0,2,0,0,0,0|2,0,0]=4 4300 B9R0.34 CCNC(=O)CC(=O)OC 240690a_100015525214_100000211351 [0,2,0,0,0,0|1,0,1]=4 4301 B9R0.34 CCNC(=O)CC(C)CC 11a_100015525214_100000708755 [0,2,0,0,0,0|2,0,0]=4 4302 B9R0.34 CCNC(=O)CC(C)CC 240690a_100015525214_100000708755 [0,2,0,0,0,0|2,0,0]=4 4303 B9R0.34 CCNC(=O)CC(C)CC 527a_100015525214_100000708755 [0,2,0,0,0,0|2,0,0]=4 4304 B9R0.34 CCNC(=O)CC(O)CC 240690a_100015525214_100011667805 [0,2,0,0,0,0|2,0,0]=4 4305 B9R0.34 CCNC(C)CC(=O)OC 2230a_100015525214_100009817358 [0,2,0,0,0,0|1,0,0]=3 4306 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000210414_100000188475 [0,2,0,0,0,0|1,0,1]=4 4307 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000243816_100000210202 [0,2,0,0,0,0|1,0,1]=4 4308 B9R0.34 CCOC(=O)CC(=O)NC 240690a_100102657272_100000243816 [0,2,0,0,0,0|1,0,1]=4 4309 B9R0.34 CCOC(=O)CC(C)NC 2230a_106832991635_100009817359 [0,2,0,0,0,0|1,0,0]=3 4310 B9R0.34 CCOC(=O)CC(C)NC 7a_106832991635_100009817359 [0,2,0,0,0,0|1,0,0]=3 4311 B9R0.34 CCOC(=O)CC(C)SC 62a_100009817359_200000210301 [0,2,0,0,0,0|0,0,0]=2 4312 B9R0.34 CCOC(=O)CC(C)SC 62a_200000210301_100009817359 [0,2,0,0,0,0|0,0,0]=2 4313 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_100009817359_200025704644 [0,2,0,0,0,0|0,0,0]=2 4314 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_200025704644_100009817359 [0,2,0,0,0,0|0,0,0]=2 4315 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220588_100000210202 [0,2,0,0,0,0|2,0,0]=4 4316 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220607_200000210301 [0,2,0,0,0,0|2,0,0]=4 4317 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000225621_100000188475 [0,2,0,0,0,0|2,0,0]=4 4318 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000220607_200000210301 [0,2,0,0,0,0|2,0,0]=4 4319 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000225621_100000188475 [0,2,0,0,0,0|2,0,0]=4 4320 B9R0.34 CCOC(=O)CN([13CH3])CC 2230a_100000220607_200025704644 [0,2,0,0,0,0|2,0,0]=4 4321 B9R0.34 CCOC(=O)CN([13CH3])CC 269982a_100000220607_200025704644 [0,2,0,0,0,0|2,0,0]=4 4322 B9R0.34 CCOC(=O)C[C@@H](C)OC 7a_100009816390_200000210301 [0,2,0,0,0,0|0,1,0]=3 4323 B9R0.34 CCOC(=O)C[C@@H](C)O[13CH3] 7a_100009816390_200025704644 [0,2,0,0,0,0|0,1,0]=3 4324 B9R0.34 CCOC(=O)OC(C)SC 62a_100000036008_200000210301 [0,2,0,0,0,0|1,0,0]=3 4325 B9R0.34 CCOC(=O)OC(C)SC 62a_200000210301_100000036008 [0,2,0,0,0,0|1,0,0]=3 4326 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_100000036008_200025704644 [0,2,0,0,0,0|1,0,0]=3 4327 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_200025704644_100000036008 [0,2,0,0,0,0|1,0,0]=3 4328 B9R0.34 CCOC(C)CC(=O)OC 34a_100121572206_100009817358 [0,2,0,0,0,0|0,1,0]=3 4329 B9R0.34 CCSC(C)CC(=O)CC 1458a_200011311441_100000210202 [0,2,0,0,0,0|1,0,0]=3 4330 B9R0.34 CCSC(C)CC(=O)CF 1458a_200011311441_100015361967 [0,2,0,0,0,0|2,0,0]=4 4331 B9R0.34 CCSC(C)CC(=O)NC 11a_106832991635_200011311441 [0,2,0,0,0,0|1,0,0]=3 4332 B9R0.34 CCSC(C)CC(=O)NC 1626a_100102657272_200011311441 [0,2,0,0,0,0|1,0,0]=3 4333 B9R0.34 CCSC(C)CC(=O)NC 240690a_100102657272_200011311441 [0,2,0,0,0,0|1,0,0]=3 4334 B9R0.34 CCSC(C)CC(=O)NC 527a_100102657272_200011311441 [0,2,0,0,0,0|1,0,0]=3 4335 B9R0.34 CCSC(C)CC(=O)OC 62a_100000210202_100009817358 [0,2,0,0,0,0|0,0,0]=2 4336 B9R0.34 CCSC(C)CC(=O)OC 62a_100009817358_100000210202 [0,2,0,0,0,0|0,0,0]=2 4337 B9R0.34 CC[C@H](C)CC(=O)CCO 1458a_100011216618_100009816398 [0,2,0,0,0,0|2,0,0]=4 4338 B9R0.34 CC[C@H](C)CC(=O)COC 1458a_100000210968_100009816398 [0,2,0,0,0,0|1,0,0]=3 4339 B9R0.34 CC[C@H](C)CC(=O)CSC 1458a_100000184570_100009816398 [0,2,0,0,0,0|1,1,0]=4 4340 B9R0.34 CNC(=O)CC(=O)COC 1458a_100000210968_100000183359 [0,2,0,0,0,0|1,0,1]=4 4341 B9R0.34 CNC(=O)CC(=O)CSC 1458a_100000184570_100000183359 [0,2,0,0,0,0|1,0,0]=3 4342 B9R0.34 CNC(=O)CN(C)COC 2230a_100000189611_100000766300 [0,2,0,0,0,0|1,1,0]=4 4343 B9R0.34 CNC(=O)CN(C)CSC 2230a_100000189611_100011218213 [0,2,0,0,0,0|1,0,0]=3 4344 B9R0.34 CNC(=O)N[C@H](C)COC 2708a_100000764878_106832991635 [0,2,0,0,0,0|1,1,0]=4 4345 B9R0.34 CNC(=O)N[C@H](C)COC 2708a_100102657272_100000764878 [0,2,0,0,0,0|1,1,0]=4 4346 B9R0.34 CNC(=O)N[C@H](C)COC 273464a_100000764878_100102657272 [0,2,0,0,0,0|1,1,0]=4 4347 B9R0.34 CNC(=O)N[C@H](C)COC 273464a_100102657272_100000764878 [0,2,0,0,0,0|1,1,0]=4 4348 B9R0.34 CNC(=O)N[C@H](C)COC 512a_100000764878_100102657272 [0,2,0,0,0,0|1,1,0]=4 4349 B9R0.34 CNC(=O)N[C@H](C)COC 512a_106832991638_100000764878 [0,2,0,0,0,0|1,1,0]=4 4350 B9R0.34 CNC[C@H](O)CC(=O)OC 34a_100102657272_100000754131 [0,2,0,0,0,0|1,0,0]=3 4351 B9R0.34 CNC[C@H](O)CC(=O)OC 7a_106832991635_100000754131 [0,2,0,0,0,0|1,0,0]=3 4352 B9R0.34 CNNC(=O)CC(=O)OC 22a_100016993582_100000211351 [0,2,0,0,0,0|1,0,1]=4 4353 B9R0.34 COC(=O)CC(=O)CC#N 1458a_100000211351_100011214920 [0,2,0,0,0,0|2,0,0]=4 4354 B9R0.34 COC(=O)CC(=O)CC#N 1458a_100051588842_100000747449 [0,2,0,0,0,0|2,0,0]=4 4355 B9R0.34 COC(=O)CC(=O)CCF 1458a_100000211351_100011217306 [0,2,0,0,0,0|1,0,1]=4 4356 B9R0.34 COC(=O)CC(=O)CCO 1458a_100000211351_100000211926 [0,2,0,0,0,0|1,0,1]=4 4357 B9R0.34 COC(=O)CC(=O)CCO 1458a_100011216618_100000747449 [0,2,0,0,0,0|1,0,1]=4 4358 B9R0.34 COC(=O)CC(=O)CSC 1458a_100000184570_100000747449 [0,2,0,0,0,0|0,0,0]=2 4359 B9R0.34 COC(=O)CC(=O)CSC 62a_100000210525_200000210301 [0,2,0,0,0,0|0,0,0]=2 4360 B9R0.34 COC(=O)CC(=O)CSC 62a_200000210301_100000210525 [0,2,0,0,0,0|0,0,0]=2 4361 B9R0.34 COC(=O)CC(=O)CS[13CH3] 62a_100000210525_200025704644 [0,2,0,0,0,0|0,0,0]=2 4362 B9R0.34 COC(=O)CC(=O)CS[13CH3] 62a_200025704644_100000210525 [0,2,0,0,0,0|0,0,0]=2 4363 B9R0.34 COC(=O)CC(C)SCF 62a_100009817358_100015361967 [0,2,0,0,0,0|0,0,0]=2 4364 B9R0.34 COC(=O)CC(C)SCF 62a_100015361967_100009817358 [0,2,0,0,0,0|0,0,0]=2 4365 B9R0.34 COC(=O)CN(C)CC#N 2230a_100000198492_100011215382 [0,2,0,0,0,0|2,0,0]=4 4366 B9R0.34 COC(=O)CN(C)CC#N 2230a_100000748184_100000747449 [0,2,0,0,0,0|2,0,0]=4 4367 B9R0.34 COC(=O)CN(C)CC=O 2230a_100000198492_200015260668 [0,2,0,0,0,0|2,0,0]=4 4368 B9R0.34 COC(=O)CN(C)CCF 2230a_100000198492_100011217306 [0,2,0,0,0,0|2,0,0]=4 4369 B9R0.34 COC(=O)CN(C)CCO 2230a_100000198492_100000211926 [0,2,0,0,0,0|2,0,0]=4 4370 B9R0.34 COC(=O)CN(C)CCO 2230a_100000210263_100000747449 [0,2,0,0,0,0|2,0,0]=4 4371 B9R0.34 COC(=O)CN(C)CCO 269982a_100000210263_100000747449 [0,2,0,0,0,0|2,0,0]=4 4372 B9R0.34 COC(=O)CN(C)CSC 2230a_100000198492_100011218213 [0,2,0,0,0,0|0,0,0]=2 4373 B9R0.34 COC(=O)C[C@@H](O)CSC 62a_100000754131_200000210301 [0,2,0,0,0,0|0,0,0]=2 4374 B9R0.34 COC(=O)C[C@@H](O)CSC 62a_200000210301_100000754131 [0,2,0,0,0,0|0,0,0]=2 4375 B9R0.34 COC(=O)C[C@@H](O)CS[13CH3] 62a_100000754131_200025704644 [0,2,0,0,0,0|0,0,0]=2 4376 B9R0.34 COC(=O)C[C@@H](O)CS[13CH3] 62a_200025704644_100000754131 [0,2,0,0,0,0|0,0,0]=2 4377 B9R0.34 COC(=O)NC(=O)CSC 62a_200000210301_100000010850 [0,2,0,0,0,0|0,0,1]=3 4378 B9R0.34 COC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000010850 [0,2,0,0,0,0|0,0,1]=3 4379 B9R0.34 COCC(=O)CC(=O)OC 1458a_100000210968_100000747449 [0,2,0,0,0,0|0,1,0]=3 4380 B9R0.34 COCC(=O)C[C@@H](C)CO 1458a_100000210968_100000059175 [0,2,0,0,0,0|2,0,0]=4 4381 B9R0.34 COCN(C)CC(=O)OC 2230a_100000198492_100000766300 [0,2,0,0,0,0|0,1,0]=3 4382 B9R0.34 COC[C@H](O)CC(=O)OC 34a_100138415774_100000754131 [0,2,0,0,0,0|0,1,0]=3 4383 B9R0.35 C#CCC(=O)C(C)CSC 1458a_100000753918_100000184674 [0,2,0,0,0,0|1,0,1]=4 4384 B9R0.35 C=C(CNC)C(=O)OCC 34a_100102657272_100000755967 [0,2,0,0,0,0|1,0,1]=4 4385 B9R0.35 C=C(CNC)C(=O)OCC 7a_106832991635_100000755967 [0,2,0,0,0,0|1,0,1]=4 4386 B9R0.35 C=C(COC)C(=O)OCC 34a_100138415774_100000755967 [0,2,0,0,0,0|0,1,1]=4 4387 B9R0.35 C=C(CSC)C(=O)OCC 62a_100000755967_200000210301 [0,2,0,0,0,0|0,0,1]=3 4388 B9R0.35 C=C(CSC)C(=O)OCC 62a_200000210301_100000755967 [0,2,0,0,0,0|0,0,1]=3 4389 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_100000755967_200025704644 [0,2,0,0,0,0|0,0,1]=3 4390 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_200025704644_100000755967 [0,2,0,0,0,0|0,0,1]=3 4391 B9R0.35 C=CCC(=O)C(C)CSC 1458a_100000753918_100000210623 [0,2,0,0,0,0|1,0,1]=4 4392 B9R0.35 CC#CC(=O)C(C)CCC 1458a_100000763181_100000766640 [0,2,0,0,0,0|2,0,0]=4 4393 B9R0.35 CC#CC(=O)C(C)COC 1458a_100000763181_100000765312 [0,2,0,0,0,0|1,1,0]=4 4394 B9R0.35 CC=CC(=O)C(C)CCC 1458a_100000210699_100000766640 [0,2,0,0,0,0|2,0,0]=4 4395 B9R0.35 CC=CC(=O)C(C)COC 1458a_100000210699_100000765312 [0,2,0,0,0,0|1,1,0]=4 4396 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000210906_100000210303 [0,2,0,0,0,0|2,0,0]=4 4397 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000211992_100000766640 [0,2,0,0,0,0|2,0,0]=4 4398 B9R0.35 CCCC(=O)C(C)COC 1458a_100000211992_100000765312 [0,2,0,0,0,0|1,1,0]=4 4399 B9R0.35 CCCC(=O)C(C)COC 1458a_100000751857_100000210303 [0,2,0,0,0,0|1,1,0]=4 4400 B9R0.35 CCCC(=O)C(C)CSC 1458a_100000753918_100000210303 [0,2,0,0,0,0|1,0,0]=3 4401 B9R0.35 CCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210303 [0,2,0,0,0,0|2,0,0]=4 4402 B9R0.35 CCCC(C)C(=O)CCF 1458a_100000210906_100011217306 [0,2,0,0,0,0|2,0,0]=4 4403 B9R0.35 CCCC(C)C(=O)CCO 1458a_100000210906_100000211926 [0,2,0,0,0,0|2,0,0]=4 4404 B9R0.35 CCCC(C)C(=O)CCO 1458a_100011216618_100000766640 [0,2,0,0,0,0|2,0,0]=4 4405 B9R0.35 CCCC(C)C(=O)COC 1458a_100000210968_100000766640 [0,2,0,0,0,0|1,0,0]=3 4406 B9R0.35 CCCC(C)C(=O)CSC 1458a_100000184570_100000766640 [0,2,0,0,0,0|1,1,0]=4 4407 B9R0.35 CCCC(C)C(=O)NCC 11a_100015525214_100000210906 [0,2,0,0,0,0|2,0,0]=4 4408 B9R0.35 CCCC(C)C(=O)NCC 240690a_100015525214_100000210906 [0,2,0,0,0,0|2,0,0]=4 4409 B9R0.35 CCCC(C)C(=O)NCC 527a_100015525214_100000210906 [0,2,0,0,0,0|2,0,0]=4 4410 B9R0.35 CCCC(C)C(=O)NNC 22a_100016993582_100000210906 [0,2,0,0,0,0|2,0,0]=4 4411 B9R0.35 CCCN(C)C(=O)COC 11a_100000747261_100000210968 [0,2,0,0,0,0|2,0,0]=4 4412 B9R0.35 CCCN(C)C(=O)COC 1626a_100000747261_100000210968 [0,2,0,0,0,0|2,0,0]=4 4413 B9R0.35 CCCN(C)C(=O)COC 240690a_100000747261_100000210968 [0,2,0,0,0,0|2,0,0]=4 4414 B9R0.35 CCCN(C)C(=O)COC 527a_100000747261_100000210968 [0,2,0,0,0,0|2,0,0]=4 4415 B9R0.35 CCC[C@H](O)C(=O)CCF 1458a_100009822183_100011217306 [0,2,0,0,0,0|2,0,0]=4 4416 B9R0.35 CCC[C@H](O)C(=O)CCO 1458a_100009822183_100000211926 [0,2,0,0,0,0|2,0,0]=4 4417 B9R0.35 CCC[C@H](O)C(=O)NCC 240690a_100015525214_100009822183 [0,2,0,0,0,0|2,0,0]=4 4418 B9R0.35 CCC[C@H](O)C(=O)NNC 22a_100016993582_100009822183 [0,2,0,0,0,0|2,0,0]=4 4419 B9R0.35 CCNC(=O)C(C)COC 11a_100015525214_100000751857 [0,2,0,0,0,0|1,1,0]=4 4420 B9R0.35 CCNC(=O)C(C)COC 240690a_100015525214_100000751857 [0,2,0,0,0,0|1,1,0]=4 4421 B9R0.35 CCNC(=O)C(C)COC 527a_100015525214_100000751857 [0,2,0,0,0,0|1,1,0]=4 4422 B9R0.35 CCNC(=O)C(C)CSC 11a_100015525214_100000753918 [0,2,0,0,0,0|1,0,0]=3 4423 B9R0.35 CCNC(=O)C(C)CSC 240690a_100015525214_100000753918 [0,2,0,0,0,0|1,0,0]=3 4424 B9R0.35 CCNC(=O)C(C)CSC 527a_100015525214_100000753918 [0,2,0,0,0,0|1,0,0]=3 4425 B9R0.35 CCNC(C)C(=O)OCC 2230a_100015525214_100011215307 [0,2,0,0,0,0|2,0,0]=4 4426 B9R0.35 CCNC(F)C(=O)OCC 2230a_100015525214_100000760018 [0,2,0,0,0,0|2,0,0]=4 4427 B9R0.35 CCOC(=O)C(=O)CSC 62a_100000211299_200000210301 [0,2,0,0,0,0|0,0,1]=3 4428 B9R0.35 CCOC(=O)C(=O)CSC 62a_200000210301_100000211299 [0,2,0,0,0,0|0,0,1]=3 4429 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_100000211299_200025704644 [0,2,0,0,0,0|0,0,1]=3 4430 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_200025704644_100000211299 [0,2,0,0,0,0|0,0,1]=3 4431 B9R0.35 CCOC(=O)C(C)OCC 34a_100121572206_100011216346 [0,2,0,0,0,0|2,0,0]=4 4432 B9R0.35 CCOC(=O)C(C)SCC 62a_100000210202_100011216346 [0,2,0,0,0,0|2,0,0]=4 4433 B9R0.35 CCOC(=O)C(C)SCC 62a_100011216346_100000210202 [0,2,0,0,0,0|2,0,0]=4 4434 B9R0.35 CCOC(=O)C(F)OCC 34a_100121572206_100000760018 [0,2,0,0,0,0|2,0,0]=4 4435 B9R0.35 CCOC(=O)C(F)SCC 62a_100000210202_100000760018 [0,2,0,0,0,0|2,0,0]=4 4436 B9R0.35 CCOC(=O)C(F)SCC 62a_100000760018_100000210202 [0,2,0,0,0,0|2,0,0]=4 4437 B9R0.35 CCOC(=O)[C@H](C)OCC 7a_100000751109_100000210202 [0,2,0,0,0,0|2,0,0]=4 4438 B9R0.35 CNNC(=O)C(C)COC 22a_100016993582_100000751857 [0,2,0,0,0,0|1,1,0]=4 4439 B9R0.35 CNNC(=O)C(C)CSC 22a_100016993582_100000753918 [0,2,0,0,0,0|1,0,0]=3 4440 B9R0.35 COCC(=O)C(C)CC#N 1458a_100000210968_100009813641 [0,2,0,0,0,0|2,0,0]=4 4441 B9R0.35 COCC(=O)C(C)CCO 1458a_100000210968_100009893172 [0,2,0,0,0,0|2,0,0]=4 4442 B9R0.35 COCC(=O)C(C)COC 1458a_100000210968_100000765312 [0,2,0,0,0,0|0,1,0]=3 4443 B9R0.35 COCC(C)C(=O)CCF 1458a_100000751857_100011217306 [0,2,0,0,0,0|1,1,0]=4 4444 B9R0.35 COCC(C)C(=O)CCO 1458a_100000751857_100000211926 [0,2,0,0,0,0|1,1,0]=4 4445 B9R0.35 COCC(C)C(=O)CCO 1458a_100011216618_100000765312 [0,2,0,0,0,0|1,1,0]=4 4446 B9R0.35 COCC(C)C(=O)CSC 1458a_100000184570_100000765312 [0,2,0,0,0,0|0,2,0]=4 4447 B9R0.35 CSCC(C)C(=O)CC#N 1458a_100000753918_100011214920 [0,2,0,0,0,0|1,0,1]=4 4448 B9R0.35 CSCC(C)C(=O)CCF 1458a_100000753918_100011217306 [0,2,0,0,0,0|1,0,0]=3 4449 B9R0.35 CSCC(C)C(=O)CCO 1458a_100000753918_100000211926 [0,2,0,0,0,0|1,0,0]=3 4450 B9R0.48 C=C(C)CCC(=O)C#CC 1458a_100000763181_100000730704 [0,2,0,0,0,0|2,0,0]=4 4451 B9R0.48 C=C(C)CCC(=O)C=CC 1458a_100000210699_100000730704 [0,2,0,0,0,0|2,0,0]=4 4452 B9R0.48 C=C(C)CCC(=O)CCC 1458a_100000211992_100000730704 [0,2,0,0,0,0|2,0,0]=4 4453 B9R0.48 C=C(C)CCC(=O)CCC 1458a_200000688413_100000210303 [0,2,0,0,0,0|2,0,0]=4 4454 B9R0.48 C=C(C)CCC(=O)CCF 1458a_200000688413_100011217306 [0,2,0,0,0,0|2,0,0]=4 4455 B9R0.48 C=C(C)CCC(=O)CCO 1458a_100011216618_100000730704 [0,2,0,0,0,0|2,0,0]=4 4456 B9R0.48 C=C(C)CCC(=O)CCO 1458a_200000688413_100000211926 [0,2,0,0,0,0|2,0,0]=4 4457 B9R0.48 C=C(C)CCC(=O)COC 1458a_100000210968_100000730704 [0,2,0,0,0,0|1,0,0]=3 4458 B9R0.48 C=C(C)CCC(=O)CSC 1458a_100000184570_100000730704 [0,2,0,0,0,0|1,1,0]=4 4459 B9R0.48 C=C(C)CCC(=O)NCC 11a_100015525214_200000688413 [0,2,0,0,0,0|2,0,0]=4 4460 B9R0.48 C=C(C)CCC(=O)NCC 240690a_100015525214_200000688413 [0,2,0,0,0,0|2,0,0]=4 4461 B9R0.48 C=C(C)CCC(=O)NCC 527a_100015525214_200000688413 [0,2,0,0,0,0|2,0,0]=4 4462 B9R0.48 C=C(C)CCC(=O)NNC 22a_100016993582_200000688413 [0,2,0,0,0,0|2,0,0]=4 4463 B9R0.48 C=C(C)CNC(=O)COC 11a_100000765925_100000210968 [0,2,0,0,0,0|2,0,0]=4 4464 B9R0.48 C=C(C)CNC(=O)COC 1626a_100000765925_100000210968 [0,2,0,0,0,0|2,0,0]=4 4465 B9R0.48 C=C(C)CNC(=O)COC 240690a_100000765925_100000210968 [0,2,0,0,0,0|2,0,0]=4 4466 B9R0.48 C=C(C)CNC(=O)COC 527a_100000765925_100000210968 [0,2,0,0,0,0|2,0,0]=4 4467 B9R0.48 CC#CC(=O)CCC(C)C 1458a_100000763181_100000210312 [0,2,0,0,0,0|2,0,0]=4 4468 B9R0.48 CC#CC(=O)CCC(C)O 1458a_100000763181_100012276601 [0,2,0,0,0,0|2,0,0]=4 4469 B9R0.48 CC(C)CCC(=O)CCF 1458a_100000181311_100011217306 [0,2,0,0,0,0|2,0,0]=4 4470 B9R0.48 CC(C)CCC(=O)CCO 1458a_100000181311_100000211926 [0,2,0,0,0,0|2,0,0]=4 4471 B9R0.48 CC(C)CCC(=O)CCO 1458a_100011216618_100000210312 [0,2,0,0,0,0|2,0,0]=4 4472 B9R0.48 CC(O)CCC(=O)CCO 1458a_100011216618_100012276601 [0,2,0,0,0,0|2,0,0]=4 4473 B9R0.48 CC=CC(=O)CCC(C)C 1458a_100000210699_100000210312 [0,2,0,0,0,0|2,0,0]=4 4474 B9R0.48 CC=CC(=O)CCC(C)O 1458a_100000210699_100012276601 [0,2,0,0,0,0|2,0,0]=4 4475 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000181311_100000210303 [0,2,0,0,0,0|2,0,0]=4 4476 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000211992_100000210312 [0,2,0,0,0,0|2,0,0]=4 4477 B9R0.48 CCCC(=O)CCC(C)O 1458a_100000211992_100012276601 [0,2,0,0,0,0|2,0,0]=4 4478 B9R0.48 CCCC(=O)CC[S+](C)C 1458a_100009452791_100000210303 [0,2,0,0,0,0|1,0,1]=4 4479 B9R0.48 CCNC(=O)CCC(=O)C 1458a_100000199579_200000210301 [0,2,0,0,0,0|2,0,0]=4 4480 B9R0.48 CCNC(=O)CCC(=O)[13CH3] 1458a_100000199579_200025704644 [0,2,0,0,0,0|2,0,0]=4 4481 B9R0.48 CCNC(=O)CCC(C)C 11a_100015525214_100000181311 [0,2,0,0,0,0|2,0,0]=4 4482 B9R0.48 CCNC(=O)CCC(C)C 240690a_100015525214_100000181311 [0,2,0,0,0,0|2,0,0]=4 4483 B9R0.48 CCNC(=O)CCC(C)C 527a_100015525214_100000181311 [0,2,0,0,0,0|2,0,0]=4 4484 B9R0.48 CCNC(=O)CCN(C)C 11a_100015525214_100000689311 [0,2,0,0,0,0|2,0,0]=4 4485 B9R0.48 CCNC(=O)CCN(C)C 2230a_100102631434_100000737597 [0,2,0,0,0,0|2,0,0]=4 4486 B9R0.48 CCNC(=O)CCN(C)C 240690a_100015525214_100000689311 [0,2,0,0,0,0|2,0,0]=4 4487 B9R0.48 CCNC(=O)CCN(C)C 269982a_100102631434_100000737597 [0,2,0,0,0,0|2,0,0]=4 4488 B9R0.48 CCNC(=O)CCN(C)C 527a_100015525214_100000689311 [0,2,0,0,0,0|2,0,0]=4 4489 B9R0.48 CCNC(=O)CC[S+](C)C 11a_100015525214_100009452791 [0,2,0,0,0,0|1,0,1]=4 4490 B9R0.48 CCNC(=O)CC[S+](C)C 240690a_100015525214_100009452791 [0,2,0,0,0,0|1,0,1]=4 4491 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [0,2,0,0,0,0|1,0,0]=3 4492 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [0,2,0,0,0,0|1,0,0]=3 4493 B9R0.48 CCOC(=O)CCN(C)C 2230a_100000745921_200000210301 [0,2,0,0,0,0|1,0,0]=3 4494 B9R0.48 CCOC(=O)CCN(C)C 2230a_100102631434_100011206558 [0,2,0,0,0,0|1,0,0]=3 4495 B9R0.48 CCOC(=O)CCN(C)C 269982a_100000745921_200000210301 [0,2,0,0,0,0|1,0,0]=3 4496 B9R0.48 CCOC(=O)CCN(C)C 269982a_100102631434_100011206558 [0,2,0,0,0,0|1,0,0]=3 4497 B9R0.48 CCOC(=O)CCN(C)[13CH3] 2230a_100000745921_200025704644 [0,2,0,0,0,0|1,0,0]=3 4498 B9R0.48 CCOC(=O)CCN(C)[13CH3] 269982a_100000745921_200025704644 [0,2,0,0,0,0|1,0,0]=3 4499 B9R0.48 CCOC(=O)CNC(=O)C 188690a_100000741813_100015343762 [0,2,0,0,0,0|2,0,0]=4 4500 B9R0.48 CCOC(=O)CNC(C)C 2230a_100138425928_100000188475 [0,2,0,0,0,0|2,0,0]=4 4501 B9R0.48 CCOC(=O)CNC(C)C 34a_100138425928_100000188475 [0,2,0,0,0,0|2,0,0]=4 4502 B9R0.48 CCOC(=O)COC(C)C 34a_100000212225_100000188475 [0,2,0,0,0,0|2,0,0]=4 4503 B9R0.48 CCOC(=O)CSC(C)C 62a_100000188475_100000210206 [0,2,0,0,0,0|2,0,0]=4 4504 B9R0.48 CCOC(=O)CSC(C)C 62a_100000210206_100000188475 [0,2,0,0,0,0|2,0,0]=4 4505 B9R0.48 CCOC(=O)NCC(=O)C 1458a_100000190774_200000210301 [0,2,0,0,0,0|2,0,0]=4 4506 B9R0.48 CCOC(=O)NCC(=O)[13CH3] 1458a_100000190774_200025704644 [0,2,0,0,0,0|2,0,0]=4 4507 B9R0.48 CNNC(=O)CCC(C)C 22a_100016993582_100000181311 [0,2,0,0,0,0|2,0,0]=4 4508 B9R0.48 CNNC(=O)CCN(C)C 22a_100016993582_100000689311 [0,2,0,0,0,0|2,0,0]=4 4509 B9R0.48 CNNC(=O)CC[S+](C)C 22a_100016993582_100009452791 [0,2,0,0,0,0|1,0,1]=4 4510 B9R0.48 COCC(=O)CC=C(C)C 1458a_100000210968_100000761012 [0,2,0,0,0,0|1,0,1]=4 4511 B9R0.48 COCC(=O)CCC(C)C 1458a_100000210968_100000210312 [0,2,0,0,0,0|1,0,0]=3 4512 B9R0.48 COCC(=O)CCC(C)O 1458a_100000210968_100012276601 [0,2,0,0,0,0|1,0,0]=3 4513 B9R0.48 COCC(=O)COC(=O)C 34a_100138415774_100000036994 [0,2,0,0,0,0|2,0,0]=4 4514 B9R0.48 COCC(=O)NCC(C)C 11a_100000210953_100000210968 [0,2,0,0,0,0|2,0,0]=4 4515 B9R0.48 COCC(=O)NCC(C)C 1626a_100000210953_100000210968 [0,2,0,0,0,0|2,0,0]=4 4516 B9R0.48 COCC(=O)NCC(C)C 240690a_100000210953_100000210968 [0,2,0,0,0,0|2,0,0]=4 4517 B9R0.48 COCC(=O)NCC(C)C 34a_100138415774_100000183291 [0,2,0,0,0,0|2,0,0]=4 4518 B9R0.48 COCC(=O)NCC(C)C 527a_100000210953_100000210968 [0,2,0,0,0,0|2,0,0]=4 4519 B9R0.48 COCC(=O)NCC(C)O 11a_100000210904_100000210968 [0,2,0,0,0,0|2,0,0]=4 4520 B9R0.48 COCC(=O)NCC(C)O 240690a_100000210904_100000210968 [0,2,0,0,0,0|2,0,0]=4 4521 B9R0.48 COCC(=O)NCC(C)O 527a_100000210904_100000210968 [0,2,0,0,0,0|2,0,0]=4 4522 B9R0.48 CSCC(=O)CCC(C)C 1458a_100000184570_100000210312 [0,2,0,0,0,0|1,1,0]=4 4523 B9R0.48 CSCC(=O)CCC(C)O 1458a_100000184570_100012276601 [0,2,0,0,0,0|1,1,0]=4 4524 B9R0.48 C[S+](C)CCC(=O)CCF 1458a_100009452791_100011217306 [0,2,0,0,0,0|1,0,1]=4 4525 B9R0.48 C[S+](C)CCC(=O)CCO 1458a_100009452791_100000211926 [0,2,0,0,0,0|1,0,1]=4 4526 B9R0.6 C=C(C)C(=O)C(C)CCC 1458a_100000185857_100000766640 [0,2,0,0,0,0|2,0,0]=4 4527 B9R0.6 C=C(C)C(=O)C(C)COC 1458a_100000185857_100000765312 [0,2,0,0,0,0|1,1,0]=4 4528 B9R0.6 CCCC(C)C(=O)C(C)C 1458a_100000210198_100000766640 [0,2,0,0,0,0|2,0,0]=4 4529 B9R0.6 CCCC(C)C(=O)C(C)C 1458a_100000210906_100000210206 [0,2,0,0,0,0|2,0,0]=4 4530 B9R0.6 CCCC(C)C(=O)C(C)F 1458a_100000062450_100000766640 [0,2,0,0,0,0|2,0,0]=4 4531 B9R0.6 CCCC(C)C(=O)N(C)C 11a_100102631434_100000210906 [0,2,0,0,0,0|2,0,0]=4 4532 B9R0.6 CCCC(C)C(=O)N(C)C 1626a_100102631434_100000210906 [0,2,0,0,0,0|2,0,0]=4 4533 B9R0.6 CCCC(C)C(=O)N(C)C 240690a_100102631434_100000210906 [0,2,0,0,0,0|2,0,0]=4 4534 B9R0.6 CCCC(C)C(=O)N(C)C 527a_100102631434_100000210906 [0,2,0,0,0,0|2,0,0]=4 4535 B9R0.6 CCCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000766640 [0,2,0,0,0,0|2,0,0]=4 4536 B9R0.6 CCCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000766640 [0,2,0,0,0,0|2,0,0]=4 4537 B9R0.6 CCC[C@H](O)C(=O)C(C)C 1458a_100009822183_100000210206 [0,2,0,0,0,0|2,0,0]=4 4538 B9R0.6 CCC[C@H](O)C(=O)N(C)C 240690a_100102631434_100009822183 [0,2,0,0,0,0|2,0,0]=4 4539 B9R0.6 COCC(C)C(=O)C(C)C 1458a_100000210198_100000765312 [0,2,0,0,0,0|1,1,0]=4 4540 B9R0.6 COCC(C)C(=O)C(C)C 1458a_100000751857_100000210206 [0,2,0,0,0,0|1,1,0]=4 4541 B9R0.6 COCC(C)C(=O)C(C)F 1458a_100000062450_100000765312 [0,2,0,0,0,0|1,1,0]=4 4542 B9R0.6 COCC(C)C(=O)N(C)C 11a_100102631434_100000751857 [0,2,0,0,0,0|1,1,0]=4 4543 B9R0.6 COCC(C)C(=O)N(C)C 1626a_100102631434_100000751857 [0,2,0,0,0,0|1,1,0]=4 4544 B9R0.6 COCC(C)C(=O)N(C)C 240690a_100102631434_100000751857 [0,2,0,0,0,0|1,1,0]=4 4545 B9R0.6 COCC(C)C(=O)N(C)C 527a_100102631434_100000751857 [0,2,0,0,0,0|1,1,0]=4 4546 B9R0.6 COCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000765312 [0,2,0,0,0,0|1,1,0]=4 4547 B9R0.6 COCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000765312 [0,2,0,0,0,0|1,1,0]=4 4548 B9R0.6 CSCC(C)C(=O)C(C)C 1458a_100000753918_100000210206 [0,2,0,0,0,0|1,0,0]=3 4549 B9R0.6 CSCC(C)C(=O)N(C)C 11a_100102631434_100000753918 [0,2,0,0,0,0|1,0,0]=3 4550 B9R0.6 CSCC(C)C(=O)N(C)C 1626a_100102631434_100000753918 [0,2,0,0,0,0|1,0,0]=3 4551 B9R0.6 CSCC(C)C(=O)N(C)C 240690a_100102631434_100000753918 [0,2,0,0,0,0|1,0,0]=3 4552 B9R0.6 CSCC(C)C(=O)N(C)C 527a_100102631434_100000753918 [0,2,0,0,0,0|1,0,0]=3 4553 B9R0.12 CCCC(CC)C(=O)CC 1458a_100000210414_100011219200 [0,2,0,0,0,0|2,0,0]=4 4554 B9R0.12 CCCC(CC)C(=O)CC 1458a_100011416436_100000210202 [0,2,0,0,0,0|2,0,0]=4 4555 B9R0.12 CCCC(CC)C(=O)NC 11a_106832991635_100011416436 [0,2,0,0,0,0|2,0,0]=4 4556 B9R0.12 CCCC(CC)C(=O)NC 1626a_100102657272_100011416436 [0,2,0,0,0,0|2,0,0]=4 4557 B9R0.12 CCCC(CC)C(=O)NC 240690a_100102657272_100011416436 [0,2,0,0,0,0|2,0,0]=4 4558 B9R0.12 CCCC(CC)C(=O)NC 527a_100102657272_100011416436 [0,2,0,0,0,0|2,0,0]=4 4559 B9R0.12 CCCC(NC)C(=O)NC 2230a_106256046333_200000210301 [0,2,0,0,0,0|2,0,0]=4 4560 B9R0.12 CCCC(NC)C(=O)NC 34a_106256046333_200000210301 [0,2,0,0,0,0|2,0,0]=4 4561 B9R0.12 CCCC(NC)C(=O)OC 2230a_106832991635_200009843822 [0,2,0,0,0,0|1,0,0]=3 4562 B9R0.12 CCCC(NC)C(=O)OC 34a_100102657272_200009843822 [0,2,0,0,0,0|1,0,0]=3 4563 B9R0.12 CCCC(NC)C(=O)OC 7a_106832991635_200009843822 [0,2,0,0,0,0|1,0,0]=3 4564 B9R0.12 CCCC(N[13CH3])C(=O)NC 2230a_106256046333_200025704644 [0,2,0,0,0,0|2,0,0]=4 4565 B9R0.12 CCCC(N[13CH3])C(=O)NC 34a_106256046333_200025704644 [0,2,0,0,0,0|2,0,0]=4 4566 B9R0.12 CCCC(OC)C(=O)OC 34a_100138415774_200009843822 [0,2,0,0,0,0|1,0,0]=3 4567 B9R0.12 CCCC(SC)C(=O)OC 62a_200000210301_200009843822 [0,2,0,0,0,0|1,0,0]=3 4568 B9R0.12 CCCC(SC)C(=O)OC 62a_200009843822_200000210301 [0,2,0,0,0,0|1,0,0]=3 4569 B9R0.12 CCCC(S[13CH3])C(=O)OC 62a_200009843822_200025704644 [0,2,0,0,0,0|1,0,0]=3 4570 B9R0.12 CCCC(S[13CH3])C(=O)OC 62a_200025704644_200009843822 [0,2,0,0,0,0|1,0,0]=3 4571 B9R0.12 CCNC(CC)C(=O)OC 2230a_100015525214_100000235869 [0,2,0,0,0,0|2,0,0]=4 4572 B9R0.12 CCOC(C=O)C(=O)OC 34a_100121572206_100000046368 [0,2,0,0,0,0|2,0,0]=4 4573 B9R0.12 CCOC(CC)C(=O)OC 34a_100000695916_100000210202 [0,2,0,0,0,0|2,0,0]=4 4574 B9R0.12 CCOC(CC)C(=O)OC 34a_100121572206_100000235869 [0,2,0,0,0,0|2,0,0]=4 4575 B9R0.12 CCOC(CC)C(=O)OC 7a_100000695916_100000210202 [0,2,0,0,0,0|2,0,0]=4 4576 B9R0.12 CCOC(CN)C(=O)OC 34a_100000695228_100000210202 [0,2,0,0,0,0|2,0,0]=4 4577 B9R0.12 CCOC(CO)C(=O)OC 34a_100121572206_100012276630 [0,2,0,0,0,0|2,0,0]=4 4578 B9R0.12 CCOC(OC)C(=O)OC 34a_100000036821_100000210202 [0,2,0,0,0,0|2,0,0]=4 4579 B9R0.12 CCOC(OC)C(=O)OC 34a_100121572206_100000101307 [0,2,0,0,0,0|2,0,0]=4 4580 B9R0.12 CCSC(C=O)C(=O)OC 62a_100000046368_100000210202 [0,2,0,0,0,0|2,0,0]=4 4581 B9R0.12 CCSC(C=O)C(=O)OC 62a_100000210202_100000046368 [0,2,0,0,0,0|2,0,0]=4 4582 B9R0.12 CCSC(CC)C(=O)OC 62a_100000210202_100000235869 [0,2,0,0,0,0|2,0,0]=4 4583 B9R0.12 CCSC(CC)C(=O)OC 62a_100000235869_100000210202 [0,2,0,0,0,0|2,0,0]=4 4584 B9R0.12 CCSC(CO)C(=O)OC 62a_100000210202_100012276630 [0,2,0,0,0,0|2,0,0]=4 4585 B9R0.12 CCSC(CO)C(=O)OC 62a_100012276630_100000210202 [0,2,0,0,0,0|2,0,0]=4 4586 B9R0.12 CCSC(OC)C(=O)OC 62a_100000101307_100000210202 [0,2,0,0,0,0|2,0,0]=4 4587 B9R0.12 CCSC(OC)C(=O)OC 62a_100000210202_100000101307 [0,2,0,0,0,0|2,0,0]=4 4588 B9R0.12 CNC(COC)C(=O)OC 34a_100102657272_100000717350 [0,2,0,0,0,0|0,1,0]=3 4589 B9R0.12 COCC(OC)C(=O)OC 34a_100138415774_100000717350 [0,2,0,0,0,0|0,1,0]=3 4590 B9R0.12 COCC(SC)C(=O)OC 62a_100000717350_200000210301 [0,2,0,0,0,0|0,1,0]=3 4591 B9R0.12 COCC(SC)C(=O)OC 62a_200000210301_100000717350 [0,2,0,0,0,0|0,1,0]=3 4592 B9R0.12 COCC(S[13CH3])C(=O)OC 62a_100000717350_200025704644 [0,2,0,0,0,0|0,1,0]=3 4593 B9R0.12 COCC(S[13CH3])C(=O)OC 62a_200025704644_100000717350 [0,2,0,0,0,0|0,1,0]=3 4594 B9R0.23 CCC(=O)C(C)CC(C)C 1458a_100000210414_100000731052 [0,2,0,0,0,0|2,0,0]=4 4595 B9R0.23 CCC(=O)C(C)CN(C)C 1458a_200015186601_100000210202 [0,2,0,0,0,0|2,0,0]=4 4596 B9R0.23 CCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210202 [0,2,0,0,0,0|2,0,0]=4 4597 B9R0.23 CNC(=O)C(C)CN(C)C 1626a_100102657272_200015186601 [0,2,0,0,0,0|2,0,0]=4 4598 B9R0.23 CNC(=O)C(C)CN(C)C 240690a_100102657272_200015186601 [0,2,0,0,0,0|2,0,0]=4 4599 B9R0.23 CNC(=O)[C@@H](O)CC(C)C 1626a_100102657272_100012027011 [0,2,0,0,0,0|2,0,0]=4 4600 B9R0.23 CNC(=O)[C@@H](O)CC(C)C 240690a_100102657272_100012027011 [0,2,0,0,0,0|2,0,0]=4 4601 B9R0.23 COC(=O)C(C)CN(C)C 269982a_100102631434_100000698445 [0,2,0,0,0,0|1,0,0]=3 4602 B9R0.23 COC(=O)C(C)NC(C)C 2230a_100138425928_100000211248 [0,2,0,0,0,0|2,0,0]=4 4603 B9R0.23 COC(=O)C(C)NC(C)C 34a_100138425928_100000211248 [0,2,0,0,0,0|2,0,0]=4 4604 B9R0.23 COC(=O)C(C)OC(C)C 34a_100000212225_100000211248 [0,2,0,0,0,0|2,0,0]=4 4605 B9R0.23 COC(=O)C(C)OC(C)C 34a_100011215400_100000210206 [0,2,0,0,0,0|2,0,0]=4 4606 B9R0.23 COC(=O)C(C)SC(C)C 62a_100000210206_100000211248 [0,2,0,0,0,0|2,0,0]=4 4607 B9R0.23 COC(=O)C(C)SC(C)C 62a_100000211248_100000210206 [0,2,0,0,0,0|2,0,0]=4 4608 B9R0.23 COC(=O)[C@@H](C)NC(=O)C 188690a_100000687819_100015343762 [0,2,0,0,0,0|2,0,0]=4 4609 B9R0.27 CCC(=O)C(C)C(=O)OC 1458a_100000210414_100000211248 [0,2,0,0,0,0|1,0,1]=4 4610 B9R0.27 CCC(=O)C(C)C(=O)OC 1458a_100012027023_100000210202 [0,2,0,0,0,0|1,0,1]=4 4611 B9R0.27 CCN(C)C(C)C(=O)OC 2230a_100000225621_100000211248 [0,2,0,0,0,0|2,0,0]=4 4612 B9R0.27 CCN(C)C(C)C(=O)OC 2230a_100000725243_100000210202 [0,2,0,0,0,0|2,0,0]=4 4613 B9R0.27 CCN(C)C(C)C(=O)OC 269982a_100000225621_100000211248 [0,2,0,0,0,0|2,0,0]=4 4614 B9R0.27 CCN(C)C(C)C(=O)OC 269982a_100000725243_100000204670 [0,2,0,0,0,0|2,0,0]=4 4615 B9R0.27 CNC(=O)C(C)C(=O)OC 11a_106832991635_100012027023 [0,2,0,0,0,0|1,0,1]=4 4616 B9R0.27 CNC(=O)C(C)C(=O)OC 1626a_100102657272_100012027023 [0,2,0,0,0,0|1,0,1]=4 4617 B9R0.27 CNC(=O)C(C)C(=O)OC 240690a_100102657272_100012027023 [0,2,0,0,0,0|1,0,1]=4 4618 B9R0.27 CNC(=O)C(C)C(=O)OC 527a_100102657272_100012027023 [0,2,0,0,0,0|1,0,1]=4 4619 B9R0.27 CNC(=O)[C@@H](N)[C@@H](C)OC 34a_100102634413_200000210301 [0,2,0,0,0,0|1,1,0]=4 4620 B9R0.27 CNC(=O)[C@@H](N)[C@@H](C)O[13CH3] 34a_100102634413_200025704644 [0,2,0,0,0,0|1,1,0]=4 4621 B9R0.27 CNC(C)C(=O)C(=O)OC 2230a_106832991635_100000692041 [0,2,0,0,0,0|1,0,1]=4 4622 B9R0.27 CNC(C)C(=O)C(=O)OC 34a_100102657272_100000692041 [0,2,0,0,0,0|1,0,1]=4 4623 B9R0.27 COC(=O)C(=O)C(C)OC 34a_100138415774_100000692041 [0,2,0,0,0,0|0,1,1]=4 4624 B9R0.27 COC(=O)C(=O)C(C)SC 62a_100000692041_200000210301 [0,2,0,0,0,0|0,0,1]=3 4625 B9R0.27 COC(=O)C(=O)C(C)SC 62a_200000210301_100000692041 [0,2,0,0,0,0|0,0,1]=3 4626 B9R0.27 COC(=O)C(=O)C(C)S[13CH3] 62a_100000692041_200025704644 [0,2,0,0,0,0|0,0,1]=3 4627 B9R0.27 COC(=O)C(=O)C(C)S[13CH3] 62a_200025704644_100000692041 [0,2,0,0,0,0|0,0,1]=3 4628 B9R0.27 COC(=O)[C@@H](N)[C@@H](C)OC 34a_100000004424_200000210301 [0,2,0,0,0,0|0,1,0]=3 4629 B9R0.27 COC(=O)[C@@H](N)[C@@H](C)O[13CH3] 34a_100000004424_200025704644 [0,2,0,0,0,0|0,1,0]=3 4630 B9R0.60 CCCC(C)(C)C(=O)CC 1458a_100011215034_100000210202 [0,2,0,0,0,0|2,0,0]=4 4631 B9R0.60 CCCC(C)(C)C(=O)NC 11a_106832991635_100011215034 [0,2,0,0,0,0|2,0,0]=4 4632 B9R0.60 CCCC(C)(C)C(=O)NC 1626a_100102657272_100011215034 [0,2,0,0,0,0|2,0,0]=4 4633 B9R0.60 CCCC(C)(C)C(=O)NC 240690a_100102657272_100011215034 [0,2,0,0,0,0|2,0,0]=4 4634 B9R0.60 CCCC(C)(C)C(=O)NC 527a_100102657272_100011215034 [0,2,0,0,0,0|2,0,0]=4 4635 B9R0.60 CCNC(C)(C)C(=O)OC 2230a_100015525214_100000689032 [0,2,0,0,0,0|2,0,0]=4 4636 B9R0.60 CCNC(C)(F)C(=O)OC 2230a_100015525214_200009867631 [0,2,0,0,0,0|2,0,0]=4 4637 B9R0.60 CCOC(C)(C)C(=O)OC 34a_100011217581_100000210202 [0,2,0,0,0,0|2,0,0]=4 4638 B9R0.60 CCOC(C)(C)C(=O)OC 7a_100011217581_100000210202 [0,2,0,0,0,0|2,0,0]=4 4639 B9R0.60 CCOC(C)(F)C(=O)OC 34a_100121572206_200009867631 [0,2,0,0,0,0|2,0,0]=4 4640 B9R0.60 CCOC(F)(F)C(=O)OC 34a_100121572206_100000211177 [0,2,0,0,0,0|2,0,0]=4 4641 B9R0.60 CCSC(C)(C)C(=O)OC 62a_100000210202_100000689032 [0,2,0,0,0,0|2,0,0]=4 4642 B9R0.60 CCSC(C)(C)C(=O)OC 62a_100000689032_100000210202 [0,2,0,0,0,0|2,0,0]=4 4643 B9R0.60 CCSC(C)(F)C(=O)OC 62a_100000210202_200009867631 [0,2,0,0,0,0|2,0,0]=4 4644 B9R0.60 CCSC(C)(F)C(=O)OC 62a_200009867631_100000210202 [0,2,0,0,0,0|2,0,0]=4 4645 B9R0.60 CCSC(F)(F)C(=O)OC 62a_100000210202_100000211177 [0,2,0,0,0,0|2,0,0]=4 4646 B9R0.60 CCSC(F)(F)C(=O)OC 62a_100000211177_100000210202 [0,2,0,0,0,0|2,0,0]=4 4647 B9R0.60 CNC(=O)C(C)(C)COC 34a_100138415774_100000702813 [0,2,0,0,0,0|1,1,0]=4 4648 B9R0.60 CNC(=O)C(C)(C)CSC 62a_100000702813_200000210301 [0,2,0,0,0,0|1,0,0]=3 4649 B9R0.60 CNC(=O)C(C)(C)CSC 62a_200000210301_100000702813 [0,2,0,0,0,0|1,0,0]=3 4650 B9R0.60 CNC(=O)C(C)(C)CS[13CH3] 62a_100000702813_200025704644 [0,2,0,0,0,0|1,0,0]=3 4651 B9R0.60 CNC(=O)C(C)(C)CS[13CH3] 62a_200025704644_100000702813 [0,2,0,0,0,0|1,0,0]=3 4652 B9R0.60 CNCC(C)(C)C(=O)NC 34a_100102657272_100000702813 [0,2,0,0,0,0|2,0,0]=4 4653 B9R0.60 CNCC(F)(F)C(=O)OC 34a_100102657272_100010295740 [0,2,0,0,0,0|1,0,0]=3 4654 B9R0.60 COC(=O)C(C)(C)CO[13CH3] 34a_100000709632_200025704644 [0,2,0,0,0,0|0,1,0]=3 4655 B9R0.60 COC(=O)C(C)(C)CO[13CH3] 7a_100000709632_200025704644 [0,2,0,0,0,0|0,1,0]=3 4656 B9R0.60 COC(=O)C(C)(C)CSC 62a_100000684552_200000210301 [0,2,0,0,0,0|0,0,0]=2 4657 B9R0.60 COC(=O)C(C)(C)CSC 62a_200000210301_100000684552 [0,2,0,0,0,0|0,0,0]=2 4658 B9R0.60 COC(=O)C(C)(C)CS[13CH3] 62a_100000684552_200025704644 [0,2,0,0,0,0|0,0,0]=2 4659 B9R0.60 COC(=O)C(C)(C)CS[13CH3] 62a_200025704644_100000684552 [0,2,0,0,0,0|0,0,0]=2 4660 B9R0.60 COC(=O)C(F)(F)CSC 62a_100010295740_200000210301 [0,2,0,0,0,0|0,0,0]=2 4661 B9R0.60 COC(=O)C(F)(F)CSC 62a_200000210301_100010295740 [0,2,0,0,0,0|0,0,0]=2 4662 B9R0.60 COC(=O)C(F)(F)CS[13CH3] 62a_100010295740_200025704644 [0,2,0,0,0,0|0,0,0]=2 4663 B9R0.60 COC(=O)C(F)(F)CS[13CH3] 62a_200025704644_100010295740 [0,2,0,0,0,0|0,0,0]=2 4664 B9R0.60 COCC(C)(C)C(=O)OC 34a_100000709632_200000210301 [0,2,0,0,0,0|0,1,0]=3 4665 B9R0.60 COCC(C)(C)C(=O)OC 7a_100000709632_200000210301 [0,2,0,0,0,0|0,1,0]=3 4666 B9R0.60 COCC(F)(F)C(=O)OC 34a_100138415774_100010295740 [0,2,0,0,0,0|0,1,0]=3 4667 B9R0.1 C#CC(=O)CCSC(C)C 1458a_100000211873_100000730970 [0,2,0,0,0,0|1,0,1]=4 4668 B9R0.1 C=C(C)CNCC(=O)NC 2230a_100000693194_100000748629 [0,2,0,0,0,0|2,0,0]=4 4669 B9R0.1 C=C(C)COCC(=O)CC 34a_100000725409_100000748629 [0,2,0,0,0,0|2,0,0]=4 4670 B9R0.1 C=C(C)COCC(=O)NC 34a_100000210245_100000183359 [0,2,0,0,0,0|2,0,0]=4 4671 B9R0.1 C=C(C)COCC(=O)NC 34a_100000750040_100000748629 [0,2,0,0,0,0|2,0,0]=4 4672 B9R0.1 C=C(C)COCC(=O)OC 34a_100000210245_100000747449 [0,2,0,0,0,0|1,0,0]=3 4673 B9R0.1 C=C(C)CSCC(=O)CC 62a_100000747405_100000211660 [0,2,0,0,0,0|2,0,0]=4 4674 B9R0.1 C=C(C)CSCC(=O)CC 62a_100000748629_100000747405 [0,2,0,0,0,0|2,0,0]=4 4675 B9R0.1 C=C(C)CSCC(=O)NC 62a_100000183359_100000211660 [0,2,0,0,0,0|2,0,0]=4 4676 B9R0.1 C=C(C)CSCC(=O)NC 62a_100000748629_100000183359 [0,2,0,0,0,0|2,0,0]=4 4677 B9R0.1 C=C(C)CSCC(=O)OC 62a_100000747449_100000211660 [0,2,0,0,0,0|1,0,0]=3 4678 B9R0.1 C=C(C)CSCC(=O)OC 62a_100000748629_100000747449 [0,2,0,0,0,0|1,0,0]=3 4679 B9R0.1 C=C(F)COCC(=O)OC 34a_200010262243_100000747449 [0,2,0,0,0,0|1,0,1]=4 4680 B9R0.1 C=C(F)CSCC(=O)OC 62a_100000042424_100000747449 [0,2,0,0,0,0|1,0,1]=4 4681 B9R0.1 C=C(F)CSCC(=O)OC 62a_100000747449_100000042424 [0,2,0,0,0,0|1,0,1]=4 4682 B9R0.1 C=CC(=O)CCSC(C)C 1458a_100000185746_100000730970 [0,2,0,0,0,0|1,0,1]=4 4683 B9R0.1 CC(=O)SCCC(=O)CF 1458a_100000048949_100015361967 [0,2,0,0,0,0|2,0,0]=4 4684 B9R0.1 CC(C)SCCC(=O)CO 1458a_100000210174_100000730970 [0,2,0,0,0,0|2,0,0]=4 4685 B9R0.1 CCC(=O)CCC=C(C)C 1458a_100000210414_100011217483 [0,2,0,0,0,0|2,0,0]=4 4686 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [0,2,0,0,0,0|2,0,0]=4 4687 B9R0.1 CCC(=O)CCCC(C)C 1458a_100000210414_100011214892 [0,2,0,0,0,0|2,0,0]=4 4688 B9R0.1 CCC(=O)CCCC(C)C 1458a_100011216857_100000210202 [0,2,0,0,0,0|2,0,0]=4 4689 B9R0.1 CCC(=O)CCCC(C)O 1458a_100000210414_200000718107 [0,2,0,0,0,0|2,0,0]=4 4690 B9R0.1 CCC(=O)CCCN(C)C 1458a_100000210414_100000695564 [0,2,0,0,0,0|2,0,0]=4 4691 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000183196_100000210202 [0,2,0,0,0,0|2,0,0]=4 4692 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000210414_100000189650 [0,2,0,0,0,0|2,0,0]=4 4693 B9R0.1 CCC(=O)CCOC(=O)C 1458a_100000210414_100009814007 [0,2,0,0,0,0|1,1,0]=4 4694 B9R0.1 CCC(=O)CCOC(C)C 1458a_100000210414_100000211751 [0,2,0,0,0,0|1,1,0]=4 4695 B9R0.1 CCC(=O)CCSC(=O)C 1458a_100000048949_100000210202 [0,2,0,0,0,0|1,0,0]=3 4696 B9R0.1 CCC(=O)CCSC(C)C 1458a_100000210414_100000730970 [0,2,0,0,0,0|1,0,0]=3 4697 B9R0.1 CCC(=O)COCC(C)C 1458a_100011223364_100000210202 [0,2,0,0,0,0|2,0,0]=4 4698 B9R0.1 CCC(=O)COCC(C)C 34a_100000725409_100000210624 [0,2,0,0,0,0|2,0,0]=4 4699 B9R0.1 CCC(=O)COCC(C)O 34a_100000725409_100011218427 [0,2,0,0,0,0|2,0,0]=4 4700 B9R0.1 CCC(=O)COC[C@@H](C)O 34a_100000725409_100009817552 [0,2,0,0,0,0|2,0,0]=4 4701 B9R0.1 CCC(=O)CSCC(C)C 62a_100000210624_100000747405 [0,2,0,0,0,0|2,0,0]=4 4702 B9R0.1 CCC(=O)CSCC(C)C 62a_100000747405_100000210760 [0,2,0,0,0,0|2,0,0]=4 4703 B9R0.1 CCC(=O)CSCC(C)O 62a_100000747405_100011218427 [0,2,0,0,0,0|2,0,0]=4 4704 B9R0.1 CCC(=O)CSCC(C)O 62a_100011218427_100000747405 [0,2,0,0,0,0|2,0,0]=4 4705 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100000747405_100009817552 [0,2,0,0,0,0|2,0,0]=4 4706 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747405 [0,2,0,0,0,0|2,0,0]=4 4707 B9R0.1 CCC(=O)NCCC(C)C 11a_100000210545_100000210414 [0,2,0,0,0,0|2,0,0]=4 4708 B9R0.1 CCC(=O)NCCC(C)C 1626a_100000210545_100000210414 [0,2,0,0,0,0|2,0,0]=4 4709 B9R0.1 CCC(=O)NCCC(C)C 240690a_100000210545_100000210414 [0,2,0,0,0,0|2,0,0]=4 4710 B9R0.1 CCC(=O)NCCC(C)C 527a_100000210545_100000210414 [0,2,0,0,0,0|2,0,0]=4 4711 B9R0.1 CCC(=O)NCCC(C)O 240690a_200000755665_100000210414 [0,2,0,0,0,0|2,0,0]=4 4712 B9R0.1 CCC(=O)NCCC(C)O 527a_200000755665_100000210414 [0,2,0,0,0,0|2,0,0]=4 4713 B9R0.1 CCC(=O)NCCN(C)C 240690a_100000210585_100000210414 [0,2,0,0,0,0|2,0,0]=4 4714 B9R0.1 CCC(=O)NCCN(C)C 527a_100000210585_100000210414 [0,2,0,0,0,0|2,0,0]=4 4715 B9R0.1 CNC(=O)CCCC(=O)C 1458a_100000070787_100000741757 [0,2,0,0,0,0|2,0,0]=4 4716 B9R0.1 CNC(=O)CCCC(C)C 11a_106832991635_100011216857 [0,2,0,0,0,0|2,0,0]=4 4717 B9R0.1 CNC(=O)CCCC(C)C 1626a_100102657272_100011216857 [0,2,0,0,0,0|2,0,0]=4 4718 B9R0.1 CNC(=O)CCCC(C)C 240690a_100102657272_100011216857 [0,2,0,0,0,0|2,0,0]=4 4719 B9R0.1 CNC(=O)CCCC(C)C 527a_100102657272_100011216857 [0,2,0,0,0,0|2,0,0]=4 4720 B9R0.1 CNC(=O)CCCC(C)O 1626a_100102657272_100000761597 [0,2,0,0,0,0|2,0,0]=4 4721 B9R0.1 CNC(=O)CCCC(C)O 527a_100102657272_100000761597 [0,2,0,0,0,0|2,0,0]=4 4722 B9R0.1 CNC(=O)CCCN(C)C 11a_106832991635_100000740757 [0,2,0,0,0,0|2,0,0]=4 4723 B9R0.1 CNC(=O)CCCN(C)C 2230a_100102631434_100000741757 [0,2,0,0,0,0|2,0,0]=4 4724 B9R0.1 CNC(=O)CCCN(C)C 240690a_100102657272_100000740757 [0,2,0,0,0,0|2,0,0]=4 4725 B9R0.1 CNC(=O)CCCN(C)C 269982a_100102631434_100000741757 [0,2,0,0,0,0|2,0,0]=4 4726 B9R0.1 CNC(=O)CCNC(=O)C 11a_100000738227_100015343762 [0,2,0,0,0,0|2,0,0]=4 4727 B9R0.1 CNC(=O)CCNC(=O)C 11a_106832991635_100000183196 [0,2,0,0,0,0|2,0,0]=4 4728 B9R0.1 CNC(=O)CCNC(=O)C 1626a_100102657272_100000183196 [0,2,0,0,0,0|2,0,0]=4 4729 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100000738227_100015343762 [0,2,0,0,0,0|2,0,0]=4 4730 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100102657272_100000183196 [0,2,0,0,0,0|2,0,0]=4 4731 B9R0.1 CNC(=O)CCNC(=O)C 527a_100000738227_100103153847 [0,2,0,0,0,0|2,0,0]=4 4732 B9R0.1 CNC(=O)CCNC(=O)C 527a_100102657272_100000183196 [0,2,0,0,0,0|2,0,0]=4 4733 B9R0.1 CNC(=O)CCNC(C)C 2230a_100000738227_100000210206 [0,2,0,0,0,0|2,0,0]=4 4734 B9R0.1 CNC(=O)CCNC(C)C 2230a_100138425928_100000737683 [0,2,0,0,0,0|2,0,0]=4 4735 B9R0.1 CNC(=O)CCNC(C)C 34a_100000738227_100000210206 [0,2,0,0,0,0|2,0,0]=4 4736 B9R0.1 CNC(=O)CCNC(C)C 34a_100138425928_100012179268 [0,2,0,0,0,0|2,0,0]=4 4737 B9R0.1 CNC(=O)CCOC(C)C 34a_100000212225_100012179268 [0,2,0,0,0,0|1,1,0]=4 4738 B9R0.1 CNC(=O)CCOC(C)C 34a_100000754576_100000210206 [0,2,0,0,0,0|1,1,0]=4 4739 B9R0.1 CNC(=O)CCSC(=O)C 1626a_100102657272_100000048949 [0,2,0,0,0,0|1,0,0]=3 4740 B9R0.1 CNC(=O)CCSC(=O)C 240690a_100102657272_100000048949 [0,2,0,0,0,0|1,0,0]=3 4741 B9R0.1 CNC(=O)CCSC(C)C 62a_100000210206_100000737683 [0,2,0,0,0,0|1,0,0]=3 4742 B9R0.1 CNC(=O)CCSC(C)C 62a_100000737683_100000210206 [0,2,0,0,0,0|1,0,0]=3 4743 B9R0.1 CNC(=O)CNCC(C)C 2230a_100000210953_100000183359 [0,2,0,0,0,0|2,0,0]=4 4744 B9R0.1 CNC(=O)CNCC(C)C 2230a_100000693194_100000210760 [0,2,0,0,0,0|2,0,0]=4 4745 B9R0.1 CNC(=O)CNCC(C)C 270004a_100000693194_100000210432 [0,2,0,0,0,0|2,0,0]=4 4746 B9R0.1 CNC(=O)CNCC(C)C 34a_100000210953_100000183359 [0,2,0,0,0,0|2,0,0]=4 4747 B9R0.1 CNC(=O)CNCC(C)O 2230a_100000210904_100000183359 [0,2,0,0,0,0|2,0,0]=4 4748 B9R0.1 CNC(=O)CNCC(C)O 2230a_100000693194_100011218427 [0,2,0,0,0,0|2,0,0]=4 4749 B9R0.1 CNC(=O)CNCC(C)O 34a_100000210904_100000183359 [0,2,0,0,0,0|2,0,0]=4 4750 B9R0.1 CNC(=O)CNC[C@@H](C)O 2230a_100000693194_100009817552 [0,2,0,0,0,0|2,0,0]=4 4751 B9R0.1 CNC(=O)COCC(=O)C 34a_100000211253_100000183359 [0,2,0,0,0,0|2,0,0]=4 4752 B9R0.1 CNC(=O)COCC(C)Br 34a_100012180447_100000183359 [0,2,0,0,0,0|2,0,0]=4 4753 B9R0.1 CNC(=O)COCC(C)C 11a_106832991635_100011223364 [0,2,0,0,0,0|2,0,0]=4 4754 B9R0.1 CNC(=O)COCC(C)C 1626a_100102657272_100011223364 [0,2,0,0,0,0|2,0,0]=4 4755 B9R0.1 CNC(=O)COCC(C)C 240690a_100102657272_100011223364 [0,2,0,0,0,0|2,0,0]=4 4756 B9R0.1 CNC(=O)COCC(C)C 34a_100000210257_100000183359 [0,2,0,0,0,0|2,0,0]=4 4757 B9R0.1 CNC(=O)COCC(C)C 34a_100000750040_100000210624 [0,2,0,0,0,0|2,0,0]=4 4758 B9R0.1 CNC(=O)COCC(C)C 527a_100102657272_100011223364 [0,2,0,0,0,0|2,0,0]=4 4759 B9R0.1 CNC(=O)COCC(C)F 34a_100015925927_100000183359 [0,2,0,0,0,0|2,0,0]=4 4760 B9R0.1 CNC(=O)COCC(C)O 34a_100000750040_100011218427 [0,2,0,0,0,0|2,0,0]=4 4761 B9R0.1 CNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183359 [0,2,0,0,0,0|2,0,0]=4 4762 B9R0.1 CNC(=O)COC[C@@H](C)N 34a_100000737577_100000183359 [0,2,0,0,0,0|2,0,0]=4 4763 B9R0.1 CNC(=O)COC[C@@H](C)O 34a_100000750040_100009817552 [0,2,0,0,0,0|2,0,0]=4 4764 B9R0.1 CNC(=O)CSCC(C)C 62a_100000183359_100000210760 [0,2,0,0,0,0|2,0,0]=4 4765 B9R0.1 CNC(=O)CSCC(C)C 62a_100000210624_100000183359 [0,2,0,0,0,0|2,0,0]=4 4766 B9R0.1 CNC(=O)CSCC(C)O 62a_100000183359_100011218427 [0,2,0,0,0,0|2,0,0]=4 4767 B9R0.1 CNC(=O)CSCC(C)O 62a_100011218427_100000183359 [0,2,0,0,0,0|2,0,0]=4 4768 B9R0.1 CNC(=O)CSC[C@@H](C)O 62a_100000183359_100009817552 [0,2,0,0,0,0|2,0,0]=4 4769 B9R0.1 CNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183359 [0,2,0,0,0,0|2,0,0]=4 4770 B9R0.1 CNC(=O)NCCC(C)C 2708a_100000210545_106832991635 [0,2,0,0,0,0|2,0,0]=4 4771 B9R0.1 CNC(=O)NCCC(C)C 2708a_100102657272_100000210545 [0,2,0,0,0,0|2,0,0]=4 4772 B9R0.1 CNC(=O)NCCC(C)C 273464a_100000210545_100102657272 [0,2,0,0,0,0|2,0,0]=4 4773 B9R0.1 CNC(=O)NCCC(C)C 273464a_100102657272_100000210545 [0,2,0,0,0,0|2,0,0]=4 4774 B9R0.1 CNC(=O)NCCC(C)C 512a_100000210545_100102657272 [0,2,0,0,0,0|2,0,0]=4 4775 B9R0.1 CNC(=O)NCCC(C)C 512a_106832991638_100000210545 [0,2,0,0,0,0|2,0,0]=4 4776 B9R0.1 CNC(=O)NCCC(C)O 2708a_100102657272_200000755665 [0,2,0,0,0,0|2,0,0]=4 4777 B9R0.1 CNC(=O)NCCC(C)O 273464a_200000755665_100102657272 [0,2,0,0,0,0|2,0,0]=4 4778 B9R0.1 CNC(=O)NCCC(C)O 512a_106832991638_200000755665 [0,2,0,0,0,0|2,0,0]=4 4779 B9R0.1 CNC(=O)NCCC(C)O 512a_200000755665_100102657272 [0,2,0,0,0,0|2,0,0]=4 4780 B9R0.1 CNC(=O)NCCN(C)C 2708a_100102657272_100000210585 [0,2,0,0,0,0|2,0,0]=4 4781 B9R0.1 CNC(=O)NCCN(C)C 273464a_100000210585_100102657272 [0,2,0,0,0,0|2,0,0]=4 4782 B9R0.1 CNC(=O)NCCN(C)C 273464a_100102657272_100000210585 [0,2,0,0,0,0|2,0,0]=4 4783 B9R0.1 CNC(=O)NCCN(C)C 512a_106832991638_100000210585 [0,2,0,0,0,0|2,0,0]=4 4784 B9R0.1 CNC(=O)OCCC(=O)C 1458a_100000070787_200011997002 [0,2,0,0,0,0|2,0,0]=4 4785 B9R0.1 CNC(=O)OCCN(C)C 269982a_100102631434_200011997002 [0,2,0,0,0,0|2,0,0]=4 4786 B9R0.1 COC(=O)/C=C/CN(C)C 2230a_100102631434_100000742655 [0,2,0,0,0,0|1,0,1]=4 4787 B9R0.1 COC(=O)/C=C/CN(C)C 269982a_100102631434_100000742655 [0,2,0,0,0,0|1,0,1]=4 4788 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000070787_100011218270 [0,2,0,0,0,0|1,0,0]=3 4789 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000239890_200000210301 [0,2,0,0,0,0|1,0,0]=3 4790 B9R0.1 COC(=O)CCCC(=O)[13CH3] 1458a_100000239890_200025704644 [0,2,0,0,0,0|1,0,0]=3 4791 B9R0.1 COC(=O)CCCN(C)C 2230a_100102631434_100011218270 [0,2,0,0,0,0|1,0,0]=3 4792 B9R0.1 COC(=O)CCCN(C)C 269982a_100000739225_200000210301 [0,2,0,0,0,0|1,0,0]=3 4793 B9R0.1 COC(=O)CCCN(C)C 269982a_100102631434_100011218270 [0,2,0,0,0,0|1,0,0]=3 4794 B9R0.1 COC(=O)CCCN(C)[13CH3] 269982a_100000739225_200025704644 [0,2,0,0,0,0|1,0,0]=3 4795 B9R0.1 COC(=O)CCNC(=O)C 188690a_100000683876_100015343762 [0,2,0,0,0,0|1,0,0]=3 4796 B9R0.1 COC(=O)CCNC(C)C 2230a_100138425928_100000204255 [0,2,0,0,0,0|1,0,0]=3 4797 B9R0.1 COC(=O)CCNC(C)C 34a_100138425928_100000742370 [0,2,0,0,0,0|1,0,0]=3 4798 B9R0.1 COC(=O)CCOC(C)C 34a_100000212225_100000742370 [0,2,0,0,0,0|0,1,0]=3 4799 B9R0.1 COC(=O)CCSC(C)C 62a_100000204255_100000210206 [0,2,0,0,0,0|0,0,0]=2 4800 B9R0.1 COC(=O)CCSC(C)C 62a_100000210206_100000204255 [0,2,0,0,0,0|0,0,0]=2 4801 B9R0.1 COC(=O)CNCC(=O)N 2230a_100000711301_100000747449 [0,2,0,0,0,0|2,0,0]=4 4802 B9R0.1 COC(=O)CNCC(=O)O 269956a_100016091260_100000747449 [0,2,0,0,0,0|2,0,0]=4 4803 B9R0.1 COC(=O)CNCC(C)C 2230a_100000210953_100000747449 [0,2,0,0,0,0|1,0,0]=3 4804 B9R0.1 COC(=O)CNCC(C)C 34a_100000210953_100000747449 [0,2,0,0,0,0|1,0,0]=3 4805 B9R0.1 COC(=O)CNCC(C)O 2230a_100000210904_100000747449 [0,2,0,0,0,0|1,0,0]=3 4806 B9R0.1 COC(=O)CNCC(C)O 34a_100000210904_100000747449 [0,2,0,0,0,0|1,0,0]=3 4807 B9R0.1 COC(=O)CNCC(F)F 34a_100000765723_100000747449 [0,2,0,0,0,0|2,0,0]=4 4808 B9R0.1 COC(=O)COCC(=O)C 34a_100000211253_100000747449 [0,2,0,0,0,0|1,0,0]=3 4809 B9R0.1 COC(=O)COCC(C)Br 34a_100012180447_100000747449 [0,2,0,0,0,0|1,0,0]=3 4810 B9R0.1 COC(=O)COCC(C)C 34a_100000210257_100000747449 [0,2,0,0,0,0|1,0,0]=3 4811 B9R0.1 COC(=O)COCC(C)F 34a_100015925927_100000747449 [0,2,0,0,0,0|1,0,0]=3 4812 B9R0.1 COC(=O)COCC(F)F 34a_100000743014_100000747449 [0,2,0,0,0,0|2,0,0]=4 4813 B9R0.1 COC(=O)COC[C@@H](C)Cl 34a_100016084084_100000747449 [0,2,0,0,0,0|1,0,0]=3 4814 B9R0.1 COC(=O)COC[C@@H](C)N 34a_100000737577_100000747449 [0,2,0,0,0,0|1,0,0]=3 4815 B9R0.1 COC(=O)CSCC(=O)C 1458a_100000191316_200000210301 [0,2,0,0,0,0|1,0,0]=3 4816 B9R0.1 COC(=O)CSCC(=O)N 62a_100000747449_100000747473 [0,2,0,0,0,0|2,0,0]=4 4817 B9R0.1 COC(=O)CSCC(=O)N 62a_100000747473_100000747449 [0,2,0,0,0,0|2,0,0]=4 4818 B9R0.1 COC(=O)CSCC(=O)[13CH3] 1458a_100000191316_200025704644 [0,2,0,0,0,0|1,0,0]=3 4819 B9R0.1 COC(=O)CSCC(=O)[O-] 62a_100000747449_100020667443 [0,2,0,0,0,0|2,0,0]=4 4820 B9R0.1 COC(=O)CSCC(=O)[O-] 62a_100020667443_100000747449 [0,2,0,0,0,0|2,0,0]=4 4821 B9R0.1 COC(=O)CSCC(C)C 62a_100000210624_100000747449 [0,2,0,0,0,0|1,0,0]=3 4822 B9R0.1 COC(=O)CSCC(C)C 62a_100000747449_100000210760 [0,2,0,0,0,0|1,0,0]=3 4823 B9R0.1 COC(=O)CSCC(C)O 62a_100000747449_100011218427 [0,2,0,0,0,0|1,0,0]=3 4824 B9R0.1 COC(=O)CSCC(C)O 62a_100011218427_100000747449 [0,2,0,0,0,0|1,0,0]=3 4825 B9R0.1 COC(=O)CSCC(F)F 62a_100000747449_100011934356 [0,2,0,0,0,0|2,0,0]=4 4826 B9R0.1 COC(=O)CSCC(F)F 62a_100011934356_100000747449 [0,2,0,0,0,0|2,0,0]=4 4827 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100000747449_100009817552 [0,2,0,0,0,0|1,0,0]=3 4828 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100009817552_100000747449 [0,2,0,0,0,0|1,0,0]=3 4829 B9R0.1 COC(=O)CSC[N+](=O)[O-] 62a_100000747449_100000761209 [0,2,0,0,0,0|2,0,0]=4 4830 B9R0.1 COC(=O)OCSC(C)C 62a_100000210206_100000139417 [0,2,0,0,0,0|1,0,0]=3 4831 B9R0.20 CCS(=O)(=O)CCSCF 62a_100000756660_100015361967 [0,2,0,0,0,0|2,0,0]=4 4832 B9R0.20 CCS(=O)(=O)CCSCF 62a_100015361967_100000756660 [0,2,0,0,0,0|2,0,0]=4 4833 B9R0.20 CCS(=O)(=O)NCCSC 270084a_100020590264_100000211323 [0,2,0,0,0,0|2,0,0]=4 4834 B9R0.20 CCS(=O)(=O)NCCSC 274078a_100020590264_100000211323 [0,2,0,0,0,0|2,0,0]=4 4835 B9R0.20 CCS(=O)(=O)NCCSC 40a_100020590264_100000053943 [0,2,0,0,0,0|2,0,0]=4 4836 B9R0.20 CCSCCS(=O)(=O)CC 62a_100000210202_100000756660 [0,2,0,0,0,0|2,0,0]=4 4837 B9R0.20 CCSCCS(=O)(=O)CC 62a_100000756660_100000210202 [0,2,0,0,0,0|2,0,0]=4 4838 B9R0.20 COC(C)(C)CNCSC 2230a_100000763424_100011218213 [0,2,0,0,0,0|1,0,1]=4 4839 B9R0.20 COC(C)(C)CSCSC 62a_100000701081_100011218213 [0,2,0,0,0,0|1,0,1]=4 4840 B9R0.20 COC(C)(C)CSCSC 62a_100011218213_100000701081 [0,2,0,0,0,0|1,0,1]=4 4841 B9R0.24 C#CC(C)NCC(=O)OC 2230a_100000707721_100000747449 [0,2,0,0,0,0|1,0,1]=4 4842 B9R0.24 C#CC(C)NCC(=O)OC 34a_100000707721_100000747449 [0,2,0,0,0,0|1,0,1]=4 4843 B9R0.24 C#CC(C)SCC(=O)OC 62a_200000035995_100000747449 [0,2,0,0,0,0|1,0,1]=4 4844 B9R0.24 C#C[C@@H](C)OCC(=O)OC 34a_100009815206_100000747449 [0,2,0,0,0,0|1,0,1]=4 4845 B9R0.24 C#C[C@@H](C)OCC(=O)OC 7a_100009815206_100000747449 [0,2,0,0,0,0|1,0,1]=4 4846 B9R0.24 C=CC(C)OCC(=O)OC 34a_100000695699_100000747449 [0,2,0,0,0,0|1,0,1]=4 4847 B9R0.24 C=CC(C)SCC(=O)OC 62a_100011215867_100000747449 [0,2,0,0,0,0|1,0,1]=4 4848 B9R0.24 CCC(=O)CCC(=O)NC 1458a_100011309844_100000210202 [0,2,0,0,0,0|2,0,0]=4 4849 B9R0.24 CCC(=O)CCC(=O)OC 1458a_100000187943_100000210202 [0,2,0,0,0,0|1,0,0]=3 4850 B9R0.24 CCC(=O)CCC(C)CC 1458a_100000701222_100000210202 [0,2,0,0,0,0|2,0,0]=4 4851 B9R0.24 CCC(=O)CCN(C)CC 1458a_100000755305_100000210202 [0,2,0,0,0,0|2,0,0]=4 4852 B9R0.24 CCC(=O)CCS(=O)CC 1458a_100011387550_100000210202 [0,2,0,0,0,0|1,0,1]=4 4853 B9R0.24 CCC(=O)CNC(=O)OC 1458a_100000215747_100000210202 [0,2,0,0,0,0|1,0,1]=4 4854 B9R0.24 CCC(=O)COC(C)CC 34a_100000725409_100011215416 [0,2,0,0,0,0|2,0,0]=4 4855 B9R0.24 CCC(=O)COC(C)CC 7a_100000210228_100000747405 [0,2,0,0,0,0|2,0,0]=4 4856 B9R0.24 CCC(=O)CSC(C)CC 62a_100000747405_100000758301 [0,2,0,0,0,0|2,0,0]=4 4857 B9R0.24 CCC(=O)CSC(C)CC 62a_100000758301_100000747405 [0,2,0,0,0,0|2,0,0]=4 4858 B9R0.24 CCC(=O)CSC(C)OC 62a_100000747405_100009879195 [0,2,0,0,0,0|1,1,0]=4 4859 B9R0.24 CCC(=O)CSC(C)OC 62a_100009879195_100000747405 [0,2,0,0,0,0|1,1,0]=4 4860 B9R0.24 CCC(=O)NCC(=O)OC 188690a_100000185156_100000210414 [0,2,0,0,0,0|1,0,1]=4 4861 B9R0.24 CCC(=O)NCC(C)CC 11a_100020588543_100000210414 [0,2,0,0,0,0|2,0,0]=4 4862 B9R0.24 CCC(=O)NCC(C)CC 1626a_100020588543_100000210414 [0,2,0,0,0,0|2,0,0]=4 4863 B9R0.24 CCC(=O)NCC(C)CC 240690a_100020588543_100000210414 [0,2,0,0,0,0|2,0,0]=4 4864 B9R0.24 CCC(=O)NCC(C)CC 527a_100020588543_100000210414 [0,2,0,0,0,0|2,0,0]=4 4865 B9R0.24 CCC(=O)NCC(O)CC 11a_100011218483_100000210414 [0,2,0,0,0,0|2,0,0]=4 4866 B9R0.24 CCC(=O)NCC(O)CC 240690a_100011218483_100000210414 [0,2,0,0,0,0|2,0,0]=4 4867 B9R0.24 CCC(=O)NCC(O)CC 527a_100011218483_100000210414 [0,2,0,0,0,0|2,0,0]=4 4868 B9R0.24 CCC(=O)NC[C@@H](C)OC 11a_100020591295_100000210414 [0,2,0,0,0,0|1,1,0]=4 4869 B9R0.24 CCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000210414 [0,2,0,0,0,0|1,1,0]=4 4870 B9R0.24 CCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000210414 [0,2,0,0,0,0|1,1,0]=4 4871 B9R0.24 CCC(=O)NC[C@@H](C)OC 527a_100020591295_100000210414 [0,2,0,0,0,0|1,1,0]=4 4872 B9R0.24 CCC(C)CCC(=O)NC 11a_106832991635_100000701222 [0,2,0,0,0,0|2,0,0]=4 4873 B9R0.24 CCC(C)CCC(=O)NC 1626a_100102657272_100000701222 [0,2,0,0,0,0|2,0,0]=4 4874 B9R0.24 CCC(C)CCC(=O)NC 240690a_100102657272_100000701222 [0,2,0,0,0,0|2,0,0]=4 4875 B9R0.24 CCC(C)CCC(=O)NC 527a_100102657272_100000701222 [0,2,0,0,0,0|2,0,0]=4 4876 B9R0.24 CCC(C)CNC(=O)NC 2708a_100020588543_106832991635 [0,2,0,0,0,0|2,0,0]=4 4877 B9R0.24 CCC(C)CNC(=O)NC 2708a_100102657272_100020588543 [0,2,0,0,0,0|2,0,0]=4 4878 B9R0.24 CCC(C)CNC(=O)NC 273464a_100020588543_100102657272 [0,2,0,0,0,0|2,0,0]=4 4879 B9R0.24 CCC(C)CNC(=O)NC 273464a_100102657272_100020588543 [0,2,0,0,0,0|2,0,0]=4 4880 B9R0.24 CCC(C)CNC(=O)NC 512a_100020588543_100102657272 [0,2,0,0,0,0|2,0,0]=4 4881 B9R0.24 CCC(C)CNC(=O)NC 512a_106832991638_100020588543 [0,2,0,0,0,0|2,0,0]=4 4882 B9R0.24 CCC(C)NCC(=O)NC 2230a_100000209981_100000183359 [0,2,0,0,0,0|2,0,0]=4 4883 B9R0.24 CCC(C)NCC(=O)NC 2230a_100000693194_100000758301 [0,2,0,0,0,0|2,0,0]=4 4884 B9R0.24 CCC(C)NCC(=O)OC 2230a_100000209981_100000747449 [0,2,0,0,0,0|1,0,0]=3 4885 B9R0.24 CCC(C)OCC(=O)NC 34a_100000750040_100011215416 [0,2,0,0,0,0|2,0,0]=4 4886 B9R0.24 CCC(C)OCC(=O)NC 7a_100000210228_100000183359 [0,2,0,0,0,0|2,0,0]=4 4887 B9R0.24 CCC(C)OCC(=O)OC 7a_100000210228_100000747449 [0,2,0,0,0,0|1,0,0]=3 4888 B9R0.24 CCC(C)SCC(=O)NC 62a_100000183359_100000758301 [0,2,0,0,0,0|2,0,0]=4 4889 B9R0.24 CCC(C)SCC(=O)NC 62a_100000758301_100000183359 [0,2,0,0,0,0|2,0,0]=4 4890 B9R0.24 CCC(C)SCC(=O)OC 62a_100000747449_100000758301 [0,2,0,0,0,0|1,0,0]=3 4891 B9R0.24 CCC(C)SCC(=O)OC 62a_100000758301_100000747449 [0,2,0,0,0,0|1,0,0]=3 4892 B9R0.24 CCC(O)CCC(=O)NC 1626a_100102657272_203496584001 [0,2,0,0,0,0|2,0,0]=4 4893 B9R0.24 CCC(O)CCC(=O)NC 240690a_100102657272_203496584001 [0,2,0,0,0,0|2,0,0]=4 4894 B9R0.24 CCC(O)CNC(=O)NC 2708a_100102657272_100011218483 [0,2,0,0,0,0|2,0,0]=4 4895 B9R0.24 CCC(O)CNC(=O)NC 273464a_100011218483_100102657272 [0,2,0,0,0,0|2,0,0]=4 4896 B9R0.24 CCC(O)CNC(=O)NC 273464a_100102657272_100011218483 [0,2,0,0,0,0|2,0,0]=4 4897 B9R0.24 CCC(O)CNC(=O)NC 512a_100011218483_100102657272 [0,2,0,0,0,0|2,0,0]=4 4898 B9R0.24 CCN(C)CCC(=O)NC 2230a_100000225621_100000737683 [0,2,0,0,0,0|2,0,0]=4 4899 B9R0.24 CCN(C)CCC(=O)NC 2230a_100000750875_100000210202 [0,2,0,0,0,0|2,0,0]=4 4900 B9R0.24 CCN(C)CCC(=O)NC 240690a_100102657272_100000755305 [0,2,0,0,0,0|2,0,0]=4 4901 B9R0.24 CCN(C)CCC(=O)NC 269982a_100000225621_100000737683 [0,2,0,0,0,0|2,0,0]=4 4902 B9R0.24 CCN(C)CCC(=O)NC 269982a_100000750875_100000204670 [0,2,0,0,0,0|2,0,0]=4 4903 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000225621_100000204255 [0,2,0,0,0,0|1,0,0]=3 4904 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000229097_200000210301 [0,2,0,0,0,0|1,0,0]=3 4905 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000225621_100000204255 [0,2,0,0,0,0|1,0,0]=3 4906 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000229097_200000210301 [0,2,0,0,0,0|1,0,0]=3 4907 B9R0.24 CCN(C)CCC(=O)OC 269982a_100025711912_100000204670 [0,2,0,0,0,0|1,0,0]=3 4908 B9R0.24 CCN([13CH3])CCC(=O)OC 2230a_100000229097_200025704644 [0,2,0,0,0,0|1,0,0]=3 4909 B9R0.24 CCN([13CH3])CCC(=O)OC 269982a_100000229097_200025704644 [0,2,0,0,0,0|1,0,0]=3 4910 B9R0.24 CCS(=O)CCC(=O)NC 11a_106832991635_100011387550 [0,2,0,0,0,0|1,0,1]=4 4911 B9R0.24 CCS(=O)CCC(=O)NC 1626a_100102657272_100011387550 [0,2,0,0,0,0|1,0,1]=4 4912 B9R0.24 CCS(=O)CCC(=O)NC 240690a_100102657272_100011387550 [0,2,0,0,0,0|1,0,1]=4 4913 B9R0.24 CCS(=O)CCC(=O)NC 527a_100102657272_100011387550 [0,2,0,0,0,0|1,0,1]=4 4914 B9R0.24 CNC(=O)CCC(=O)CF 1458a_100011309844_100015361967 [0,2,0,0,0,0|2,0,0]=4 4915 B9R0.24 CNC(=O)CCC(=O)NC 11a_106832991635_100011309844 [0,2,0,0,0,0|2,0,0]=4 4916 B9R0.24 CNC(=O)CCC(=O)NC 1626a_100102657272_100011309844 [0,2,0,0,0,0|2,0,0]=4 4917 B9R0.24 CNC(=O)CCC(=O)NC 240690a_100102657272_100011309844 [0,2,0,0,0,0|2,0,0]=4 4918 B9R0.24 CNC(=O)CCC(=O)NC 527a_100102657272_100011309844 [0,2,0,0,0,0|2,0,0]=4 4919 B9R0.24 CNC(=O)CCC(=O)OC 11a_106832991635_100000187943 [0,2,0,0,0,0|1,0,0]=3 4920 B9R0.24 CNC(=O)CCC(=O)OC 1626a_100102657272_100000187943 [0,2,0,0,0,0|1,0,0]=3 4921 B9R0.24 CNC(=O)CCC(=O)OC 240690a_100102657272_100000187943 [0,2,0,0,0,0|1,0,0]=3 4922 B9R0.24 CNC(=O)CCC(=O)OC 527a_100102657272_100000187943 [0,2,0,0,0,0|1,0,0]=3 4923 B9R0.24 CNC(=O)CCN(C)CF 269982a_100000750875_100015361967 [0,2,0,0,0,0|2,0,0]=4 4924 B9R0.24 CNC(=O)CNC(=O)OC 11a_106832991635_100000215747 [0,2,0,0,0,0|1,0,1]=4 4925 B9R0.24 CNC(=O)CNC(=O)OC 1626a_100102657272_100000215747 [0,2,0,0,0,0|1,0,1]=4 4926 B9R0.24 CNC(=O)CNC(=O)OC 240690a_100102657272_100000215747 [0,2,0,0,0,0|1,0,1]=4 4927 B9R0.24 CNC(=O)CNC(=O)OC 527a_100102657272_100000215747 [0,2,0,0,0,0|1,0,1]=4 4928 B9R0.24 CNC(=O)CSC(C)OC 62a_100000183359_100009879195 [0,2,0,0,0,0|1,1,0]=4 4929 B9R0.24 CNC(=O)CSC(C)OC 62a_100009879195_100000183359 [0,2,0,0,0,0|1,1,0]=4 4930 B9R0.24 CNC(=O)NC[C@@H](C)OC 2708a_100020591295_106832991635 [0,2,0,0,0,0|1,1,0]=4 4931 B9R0.24 CNC(=O)NC[C@@H](C)OC 2708a_100102657272_100020591295 [0,2,0,0,0,0|1,1,0]=4 4932 B9R0.24 CNC(=O)NC[C@@H](C)OC 273464a_100020591295_100102657272 [0,2,0,0,0,0|1,1,0]=4 4933 B9R0.24 CNC(=O)NC[C@@H](C)OC 273464a_100102657272_100020591295 [0,2,0,0,0,0|1,1,0]=4 4934 B9R0.24 CNC(=O)NC[C@@H](C)OC 512a_100020591295_100102657272 [0,2,0,0,0,0|1,1,0]=4 4935 B9R0.24 CNC(=O)NC[C@@H](C)OC 512a_106832991638_100020591295 [0,2,0,0,0,0|1,1,0]=4 4936 B9R0.24 COC(=O)CCC(=O)CF 1458a_100000187943_100015361967 [0,2,0,0,0,0|1,0,0]=3 4937 B9R0.24 COC(=O)CCN(C)CF 269982a_100025711912_100015361967 [0,2,0,0,0,0|1,0,0]=3 4938 B9R0.24 COC(=O)CNC(=O)CO 188690a_100000185156_100000210174 [0,2,0,0,0,0|2,0,0]=4 4939 B9R0.24 COC(=O)CNC(C)C#N 2230a_100000737613_100000747449 [0,2,0,0,0,0|2,0,0]=4 4940 B9R0.24 COC(=O)CN[C@H](C)CO 2230a_100000737577_100000747449 [0,2,0,0,0,0|2,0,0]=4 4941 B9R0.24 COC(=O)COC(C)C#N 34a_100011218135_100000747449 [0,2,0,0,0,0|2,0,0]=4 4942 B9R0.24 COC(=O)COC(C)CF 34a_100016041109_100000747449 [0,2,0,0,0,0|2,0,0]=4 4943 B9R0.24 COC(=O)COC(C)CF 7a_100016041109_100000747449 [0,2,0,0,0,0|2,0,0]=4 4944 B9R0.24 COC(=O)COC(C)CN 34a_100000210904_100000747449 [0,2,0,0,0,0|2,0,0]=4 4945 B9R0.24 COC(=O)CSC(C)C#N 62a_100000703298_100000747449 [0,2,0,0,0,0|2,0,0]=4 4946 B9R0.24 COC(=O)CSC(C)C#N 62a_100000747449_100000703298 [0,2,0,0,0,0|2,0,0]=4 4947 B9R0.24 COC(=O)CSC(C)CO 62a_100012180447_100000747449 [0,2,0,0,0,0|2,0,0]=4 4948 B9R0.24 COC(=O)CSC(C)OC 62a_100000747449_100009879195 [0,2,0,0,0,0|0,1,0]=3 4949 B9R0.24 COC(=O)CSC(C)OC 62a_100009879195_100000747449 [0,2,0,0,0,0|0,1,0]=3 4950 B9R0.24 COC(=O)CSC(F)C#N 62a_100000747449_200000117898 [0,2,0,0,0,0|2,0,0]=4 4951 B9R0.24 COC(=O)CSC(F)C#N 62a_200000117898_100000747449 [0,2,0,0,0,0|2,0,0]=4 4952 B9R0.24 COC(=O)CS[C@H](C)CO 62a_100000747449_100016084084 [0,2,0,0,0,0|2,0,0]=4 4953 B9R0.24 COC(=O)CS[C@H](C)CO 62a_100016084084_100000747449 [0,2,0,0,0,0|2,0,0]=4 4954 B9R0.24 COC(=O)NCC(=O)CF 1458a_100000215747_100015361967 [0,2,0,0,0,0|2,0,0]=4 4955 B9R0.46 C#CCCCCC(=O)CC 1458a_100000210414_100010269958 [0,2,0,0,0,0|2,0,0]=4 4956 B9R0.46 C#CCCCCC(=O)CC 1458a_100000696528_100000210202 [0,2,0,0,0,0|2,0,0]=4 4957 B9R0.46 C#CCCCCC(=O)NC 11a_106832991635_100000696528 [0,2,0,0,0,0|2,0,0]=4 4958 B9R0.46 C#CCCCCC(=O)NC 1626a_100102657272_100000696528 [0,2,0,0,0,0|2,0,0]=4 4959 B9R0.46 C#CCCCCC(=O)NC 240690a_100102657272_100000696528 [0,2,0,0,0,0|2,0,0]=4 4960 B9R0.46 C#CCCCCC(=O)NC 527a_100102657272_100000696528 [0,2,0,0,0,0|2,0,0]=4 4961 B9R0.46 C#CCCNCC(=O)OC 34a_100000755551_100000747449 [0,2,0,0,0,0|1,0,1]=4 4962 B9R0.46 C#CCCOCC(=O)OC 34a_100011215631_100000747449 [0,2,0,0,0,0|1,0,1]=4 4963 B9R0.46 C#CCCSCC(=O)OC 62a_100000688953_100000747449 [0,2,0,0,0,0|1,0,1]=4 4964 B9R0.46 C#CCCSCC(=O)OC 62a_100000747449_100000688953 [0,2,0,0,0,0|1,0,1]=4 4965 B9R0.46 C#CCNCCC(=O)NC 2230a_100000738227_100000038162 [0,2,0,0,0,0|2,0,0]=4 4966 B9R0.46 C#CCNCCC(=O)NC 34a_100000212058_100012179268 [0,2,0,0,0,0|2,0,0]=4 4967 B9R0.46 C#CCNCCC(=O)NC 34a_100000738227_100000184674 [0,2,0,0,0,0|2,0,0]=4 4968 B9R0.46 C#CCNCCC(=O)OC 34a_100000212058_100000742370 [0,2,0,0,0,0|1,0,0]=3 4969 B9R0.46 C#CCOCCC(=O)CC 1458a_100000210414_100010402529 [0,2,0,0,0,0|1,1,0]=4 4970 B9R0.46 C#CCOCCC(=O)CC 1458a_100000693358_100000210202 [0,2,0,0,0,0|1,1,0]=4 4971 B9R0.46 C#CCOCCC(=O)NC 11a_106832991635_100000693358 [0,2,0,0,0,0|1,1,0]=4 4972 B9R0.46 C#CCOCCC(=O)NC 1626a_100102657272_100000693358 [0,2,0,0,0,0|1,1,0]=4 4973 B9R0.46 C#CCOCCC(=O)NC 240690a_100102657272_100000693358 [0,2,0,0,0,0|1,1,0]=4 4974 B9R0.46 C#CCOCCC(=O)NC 34a_100000210247_100012179268 [0,2,0,0,0,0|1,1,0]=4 4975 B9R0.46 C#CCOCCC(=O)NC 34a_100000754576_100000184674 [0,2,0,0,0,0|1,1,0]=4 4976 B9R0.46 C#CCOCCC(=O)NC 527a_100102657272_100000693358 [0,2,0,0,0,0|1,1,0]=4 4977 B9R0.46 C#CCOCCC(=O)OC 34a_100000210247_100000742370 [0,2,0,0,0,0|0,1,0]=3 4978 B9R0.46 C#CCSCCC(=O)NC 62a_100000038162_100000737683 [0,2,0,0,0,0|1,0,0]=3 4979 B9R0.46 C#CCSCCC(=O)OC 62a_100000038162_100000204255 [0,2,0,0,0,0|0,0,0]=2 4980 B9R0.46 C#CCSCOC(=O)OC 62a_100000038162_100000139417 [0,2,0,0,0,0|1,0,0]=3 4981 B9R0.46 C/C=C/COCC(=O)CC 34a_100000725409_100102629194 [0,2,0,0,0,0|2,0,0]=4 4982 B9R0.46 C/C=C/COCC(=O)NC 34a_100000750040_100102629194 [0,2,0,0,0,0|2,0,0]=4 4983 B9R0.46 C/C=C/COCC(=O)NC 34a_100016270725_100000183359 [0,2,0,0,0,0|2,0,0]=4 4984 B9R0.46 C/C=C/COCC(=O)OC 34a_100016270725_100000747449 [0,2,0,0,0,0|1,0,0]=3 4985 B9R0.46 C/C=C/CSCC(=O)CC 62a_100000747405_100102629194 [0,2,0,0,0,0|2,0,0]=4 4986 B9R0.46 C/C=C/CSCC(=O)CC 62a_100102629194_100000747405 [0,2,0,0,0,0|2,0,0]=4 4987 B9R0.46 C/C=C/CSCC(=O)NC 62a_100000183359_100102629194 [0,2,0,0,0,0|2,0,0]=4 4988 B9R0.46 C/C=C/CSCC(=O)NC 62a_100102629194_100000183359 [0,2,0,0,0,0|2,0,0]=4 4989 B9R0.46 C/C=C/CSCC(=O)OC 62a_100000747449_100102629194 [0,2,0,0,0,0|1,0,0]=3 4990 B9R0.46 C/C=C/CSCC(=O)OC 62a_100102629194_100000747449 [0,2,0,0,0,0|1,0,0]=3 4991 B9R0.46 C=CC(=O)NCCCSC 1626a_100000749238_100000185746 [0,2,0,0,0,0|1,0,1]=4 4992 B9R0.46 C=CC(=O)NCCCSC 240690a_100000749238_200121576911 [0,2,0,0,0,0|1,0,1]=4 4993 B9R0.46 C=CC(=O)NCCSCC 1626a_100000106463_100000185746 [0,2,0,0,0,0|1,0,1]=4 4994 B9R0.46 C=CC(=O)NCCSCC 240690a_100000106463_200121576911 [0,2,0,0,0,0|1,0,1]=4 4995 B9R0.46 C=CC(=O)OCCSCC 62a_100000210202_100009813456 [0,2,0,0,0,0|1,0,1]=4 4996 B9R0.46 C=CC(=O)OCCSCC 62a_100009813456_100000210202 [0,2,0,0,0,0|1,0,1]=4 4997 B9R0.46 C=CC(=O)OCCSCF 62a_100009813456_100015361967 [0,2,0,0,0,0|1,0,1]=4 4998 B9R0.46 C=CC(=O)OCCSCF 62a_100015361967_100009813456 [0,2,0,0,0,0|1,0,1]=4 4999 B9R0.46 C=CCCCCC(=O)CC 1458a_100000210414_100011215482 [0,2,0,0,0,0|2,0,0]=4 5000 B9R0.46 C=CCCCCC(=O)CC 1458a_100011215552_100000210202 [0,2,0,0,0,0|2,0,0]=4 5001 B9R0.46 C=CCCCCC(=O)NC 11a_106832991635_100011215552 [0,2,0,0,0,0|2,0,0]=4 5002 B9R0.46 C=CCCCCC(=O)NC 1626a_100102657272_100011215552 [0,2,0,0,0,0|2,0,0]=4 5003 B9R0.46 C=CCCCCC(=O)NC 240690a_100102657272_100011215552 [0,2,0,0,0,0|2,0,0]=4 5004 B9R0.46 C=CCCCCC(=O)NC 527a_100102657272_100011215552 [0,2,0,0,0,0|2,0,0]=4 5005 B9R0.46 C=CCCNCC(=O)OC 2230a_100015191253_100000747449 [0,2,0,0,0,0|1,0,1]=4 5006 B9R0.46 C=CCCOCC(=O)OC 34a_100011205117_100000747449 [0,2,0,0,0,0|1,0,1]=4 5007 B9R0.46 C=CCCSCC(=O)OC 62a_100000747449_100000754431 [0,2,0,0,0,0|1,0,1]=4 5008 B9R0.46 C=CCCSCC(=O)OC 62a_100000754431_100000747449 [0,2,0,0,0,0|1,0,1]=4 5009 B9R0.46 C=CCNCCC(=O)NC 2230a_100000738227_100000210623 [0,2,0,0,0,0|2,0,0]=4 5010 B9R0.46 C=CCNCCC(=O)NC 2230a_100020586998_100000737683 [0,2,0,0,0,0|2,0,0]=4 5011 B9R0.46 C=CCNCCC(=O)NC 34a_100000738227_100015514636 [0,2,0,0,0,0|2,0,0]=4 5012 B9R0.46 C=CCNCCC(=O)OC 2230a_100020586998_100000204255 [0,2,0,0,0,0|1,0,0]=3 5013 B9R0.46 C=CCOCCC(=O)CC 1458a_200011217002_100000210202 [0,2,0,0,0,0|1,1,0]=4 5014 B9R0.46 C=CCOCCC(=O)NC 11a_106832991635_200011217002 [0,2,0,0,0,0|1,1,0]=4 5015 B9R0.46 C=CCOCCC(=O)NC 1626a_100102657272_200011217002 [0,2,0,0,0,0|1,1,0]=4 5016 B9R0.46 C=CCOCCC(=O)NC 240690a_100102657272_200011217002 [0,2,0,0,0,0|1,1,0]=4 5017 B9R0.46 C=CCOCCC(=O)NC 34a_100000754576_100015514636 [0,2,0,0,0,0|1,1,0]=4 5018 B9R0.46 C=CCOCCC(=O)NC 34a_200000210373_100012179268 [0,2,0,0,0,0|1,1,0]=4 5019 B9R0.46 C=CCOCCC(=O)NC 527a_100102657272_200011217002 [0,2,0,0,0,0|1,1,0]=4 5020 B9R0.46 C=CCOCCC(=O)OC 34a_200000210373_100000742370 [0,2,0,0,0,0|0,1,0]=3 5021 B9R0.46 C=CCSCCC(=O)NC 62a_100000210623_100000737683 [0,2,0,0,0,0|1,0,0]=3 5022 B9R0.46 C=CCSCCC(=O)NC 62a_100000737683_100000210623 [0,2,0,0,0,0|1,0,0]=3 5023 B9R0.46 C=CCSCCC(=O)OC 62a_100000204255_100000210623 [0,2,0,0,0,0|0,0,0]=2 5024 B9R0.46 C=CCSCCC(=O)OC 62a_100000210623_100000204255 [0,2,0,0,0,0|0,0,0]=2 5025 B9R0.46 C=CCSCOC(=O)OC 62a_100000210623_100000139417 [0,2,0,0,0,0|1,0,0]=3 5026 B9R0.46 CC#CCNCC(=O)NC 2230a_100000685387_100000183359 [0,2,0,0,0,0|2,0,0]=4 5027 B9R0.46 CC#CCNCC(=O)NC 2230a_100000693194_100000748600 [0,2,0,0,0,0|2,0,0]=4 5028 B9R0.46 CC#CCNCC(=O)NC 34a_100000685387_100000183359 [0,2,0,0,0,0|2,0,0]=4 5029 B9R0.46 CC#CCNCC(=O)OC 2230a_100000685387_100000747449 [0,2,0,0,0,0|1,0,0]=3 5030 B9R0.46 CC#CCNCC(=O)OC 34a_100000685387_100000747449 [0,2,0,0,0,0|1,0,0]=3 5031 B9R0.46 CC#CCOCC(=O)CC 34a_100000725409_100000748600 [0,2,0,0,0,0|2,0,0]=4 5032 B9R0.46 CC#CCOCC(=O)NC 34a_100000750040_100000748600 [0,2,0,0,0,0|2,0,0]=4 5033 B9R0.46 CC#CCOCC(=O)NC 34a_100000761923_100000183359 [0,2,0,0,0,0|2,0,0]=4 5034 B9R0.46 CC#CCOCC(=O)OC 34a_100000761923_100000747449 [0,2,0,0,0,0|1,0,0]=3 5035 B9R0.46 CC#CCSCC(=O)CC 62a_100000747405_100000748600 [0,2,0,0,0,0|2,0,0]=4 5036 B9R0.46 CC#CCSCC(=O)CC 62a_100000748600_100000747405 [0,2,0,0,0,0|2,0,0]=4 5037 B9R0.46 CC#CCSCC(=O)NC 62a_100000183359_100000748600 [0,2,0,0,0,0|2,0,0]=4 5038 B9R0.46 CC#CCSCC(=O)NC 62a_100000748600_100000183359 [0,2,0,0,0,0|2,0,0]=4 5039 B9R0.46 CC#CCSCC(=O)OC 62a_100000747449_100000748600 [0,2,0,0,0,0|1,0,0]=3 5040 B9R0.46 CC#CCSCC(=O)OC 62a_100000748600_100000747449 [0,2,0,0,0,0|1,0,0]=3 5041 B9R0.46 CC/C=C\CCC(=O)CC 1458a_100000210414_100015370543 [0,2,0,0,0,0|2,0,0]=4 5042 B9R0.46 CC=CCNCC(=O)NC 2230a_100000693194_100000070051 [0,2,0,0,0,0|2,0,0]=4 5043 B9R0.46 CC=CCOCC(=O)CC 34a_100000725409_100000070051 [0,2,0,0,0,0|2,0,0]=4 5044 B9R0.46 CC=CCOCC(=O)NC 34a_100000750040_100000070051 [0,2,0,0,0,0|2,0,0]=4 5045 B9R0.46 CC=CCSCC(=O)CC 62a_100000070051_100000747405 [0,2,0,0,0,0|2,0,0]=4 5046 B9R0.46 CC=CCSCC(=O)CC 62a_100000747405_100000070051 [0,2,0,0,0,0|2,0,0]=4 5047 B9R0.46 CC=CCSCC(=O)NC 62a_100000070051_100000183359 [0,2,0,0,0,0|2,0,0]=4 5048 B9R0.46 CC=CCSCC(=O)NC 62a_100000183359_100000070051 [0,2,0,0,0,0|2,0,0]=4 5049 B9R0.46 CC=CCSCC(=O)OC 62a_100000070051_100000747449 [0,2,0,0,0,0|1,0,0]=3 5050 B9R0.46 CC=CCSCC(=O)OC 62a_100000747449_100000070051 [0,2,0,0,0,0|1,0,0]=3 5051 B9R0.46 CCC(=O)CCCCC#N 1458a_100000210414_100000211819 [0,2,0,0,0,0|2,0,0]=4 5052 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [0,2,0,0,0,0|2,0,0]=4 5053 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [0,2,0,0,0,0|2,0,0]=4 5054 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [0,2,0,0,0,0|2,0,0]=4 5055 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [0,2,0,0,0,0|1,1,0]=4 5056 B9R0.46 CCC(=O)CCOCC#N 1458a_100000210414_200000047693 [0,2,0,0,0,0|1,1,0]=4 5057 B9R0.46 CCC(=O)CCOCCO 1458a_100000210414_100011215305 [0,2,0,0,0,0|1,1,0]=4 5058 B9R0.46 CCC(=O)CCOCCO 1458a_100011229844_100000210202 [0,2,0,0,0,0|1,1,0]=4 5059 B9R0.46 CCC(=O)COCCCF 34a_100000725409_100011934791 [0,2,0,0,0,0|2,0,0]=4 5060 B9R0.46 CCC(=O)COCCCO 34a_100000725409_100000230001 [0,2,0,0,0,0|2,0,0]=4 5061 B9R0.46 CCC(=O)COCCOC 1458a_100000211095_100000210202 [0,2,0,0,0,0|1,1,0]=4 5062 B9R0.46 CCC(=O)COCCOC 34a_100000725409_100011201679 [0,2,0,0,0,0|1,1,0]=4 5063 B9R0.46 CCC(=O)COCCSC 34a_100000725409_100000212216 [0,2,0,0,0,0|1,0,0]=3 5064 B9R0.46 CCC(=O)COCCSC 7a_100000230434_100000747405 [0,2,0,0,0,0|1,0,0]=3 5065 B9R0.46 CCC(=O)CSCCCF 62a_100000747405_100011934791 [0,2,0,0,0,0|2,0,0]=4 5066 B9R0.46 CCC(=O)CSCCCF 62a_100011934791_100000747405 [0,2,0,0,0,0|2,0,0]=4 5067 B9R0.46 CCC(=O)CSCCCO 62a_100000747405_100011215043 [0,2,0,0,0,0|2,0,0]=4 5068 B9R0.46 CCC(=O)CSCCCO 62a_100011215043_100000747405 [0,2,0,0,0,0|2,0,0]=4 5069 B9R0.46 CCC(=O)CSCCOC 62a_100000233755_100000747405 [0,2,0,0,0,0|1,1,0]=4 5070 B9R0.46 CCC(=O)CSCCOC 62a_100000747405_100000233755 [0,2,0,0,0,0|1,1,0]=4 5071 B9R0.46 CCC(=O)CSCCSC 62a_100000212216_100000747405 [0,2,0,0,0,0|1,0,0]=3 5072 B9R0.46 CCC(=O)CSCCSC 62a_100000747405_100000751147 [0,2,0,0,0,0|1,0,0]=3 5073 B9R0.46 CCC(=O)CSCSC#N 62a_100000211825_100000747405 [0,2,0,0,0,0|1,0,1]=4 5074 B9R0.46 CCC(=O)CSCSC#N 62a_100000747405_100000211825 [0,2,0,0,0,0|1,0,1]=4 5075 B9R0.46 CCC(=O)NCCCCO 240690a_100000750430_100000210414 [0,2,0,0,0,0|2,0,0]=4 5076 B9R0.46 CCC(=O)NCCCCO 527a_100000750430_100000210414 [0,2,0,0,0,0|2,0,0]=4 5077 B9R0.46 CCC(=O)NCCCOC 1626a_100150723488_100000210414 [0,2,0,0,0,0|1,1,0]=4 5078 B9R0.46 CCC(=O)NCCCOC 240690a_100150723488_100000210414 [0,2,0,0,0,0|1,1,0]=4 5079 B9R0.46 CCC(=O)NCCCOC 527a_100150723488_100000210414 [0,2,0,0,0,0|1,1,0]=4 5080 B9R0.46 CCC(=O)NCCCSC 11a_100000749238_100000210414 [0,2,0,0,0,0|1,0,0]=3 5081 B9R0.46 CCC(=O)NCCCSC 1626a_100000749238_100000210414 [0,2,0,0,0,0|1,0,0]=3 5082 B9R0.46 CCC(=O)NCCCSC 240690a_100000749238_100000210414 [0,2,0,0,0,0|1,0,0]=3 5083 B9R0.46 CCC(=O)NCCCSC 527a_100000749238_100000210414 [0,2,0,0,0,0|1,0,0]=3 5084 B9R0.46 CCC(=O)NCCNCF 34a_100132302217_100015361967 [0,2,0,0,0,0|2,0,0]=4 5085 B9R0.46 CCC(=O)NCCOCF 34a_200000158885_100015361967 [0,2,0,0,0,0|1,1,0]=4 5086 B9R0.46 CCC(=O)NCCOCF 7a_200000158885_100015361967 [0,2,0,0,0,0|1,1,0]=4 5087 B9R0.46 CCC(=O)NNCCOC 22a_100000741390_100000210414 [0,2,0,0,0,0|1,1,0]=4 5088 B9R0.46 CCC(=O)OCCOCF 7a_200000031056_100015361967 [0,2,0,0,0,0|1,1,0]=4 5089 B9R0.46 CCC/C=C/CC(=O)CC 1458a_200016266809_100000210202 [0,2,0,0,0,0|2,0,0]=4 5090 B9R0.46 CCC/C=C/CC(=O)NC 11a_106832991635_200016266809 [0,2,0,0,0,0|2,0,0]=4 5091 B9R0.46 CCC/C=C/CC(=O)NC 1626a_100102657272_200016266809 [0,2,0,0,0,0|2,0,0]=4 5092 B9R0.46 CCC/C=C/CC(=O)NC 240690a_100102657272_200016266809 [0,2,0,0,0,0|2,0,0]=4 5093 B9R0.46 CCC/C=C/CC(=O)NC 527a_100102657272_200016266809 [0,2,0,0,0,0|2,0,0]=4 5094 B9R0.46 CCCCC=CC(=O)CC 1458a_100016266645_100000210202 [0,2,0,0,0,0|2,0,0]=4 5095 B9R0.46 CCCCC=CC(=O)NC 11a_106832991635_100016266645 [0,2,0,0,0,0|2,0,0]=4 5096 B9R0.46 CCCCC=CC(=O)NC 1626a_100102657272_100016266645 [0,2,0,0,0,0|2,0,0]=4 5097 B9R0.46 CCCCC=CC(=O)NC 240690a_100102657272_100016266645 [0,2,0,0,0,0|2,0,0]=4 5098 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [0,2,0,0,0,0|2,0,0]=4 5099 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [0,2,0,0,0,0|2,0,0]=4 5100 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [0,2,0,0,0,0|2,0,0]=4 5101 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [0,2,0,0,0,0|2,0,0]=4 5102 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [0,2,0,0,0,0|2,0,0]=4 5103 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [0,2,0,0,0,0|2,0,0]=4 5104 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [0,2,0,0,0,0|2,0,0]=4 5105 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [0,2,0,0,0,0|2,0,0]=4 5106 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [0,2,0,0,0,0|2,0,0]=4 5107 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [0,2,0,0,0,0|2,0,0]=4 5108 B9R0.46 CCCCCNC(=O)NC 2708a_100000209983_106832991635 [0,2,0,0,0,0|2,0,0]=4 5109 B9R0.46 CCCCCNC(=O)NC 2708a_100102657272_100000209983 [0,2,0,0,0,0|2,0,0]=4 5110 B9R0.46 CCCCCNC(=O)NC 273464a_100000209983_100102657272 [0,2,0,0,0,0|2,0,0]=4 5111 B9R0.46 CCCCCNC(=O)NC 273464a_100102657272_100000209983 [0,2,0,0,0,0|2,0,0]=4 5112 B9R0.46 CCCCCNC(=O)NC 512a_100000209983_100102657272 [0,2,0,0,0,0|2,0,0]=4 5113 B9R0.46 CCCCCNC(=O)NC 512a_106832991638_100000209983 [0,2,0,0,0,0|2,0,0]=4 5114 B9R0.46 CCCCNCC(=O)CC 7a_106832991798_100000747405 [0,2,0,0,0,0|2,0,0]=4 5115 B9R0.46 CCCCNCC(=O)NC 2230a_100000102301_100000183359 [0,2,0,0,0,0|2,0,0]=4 5116 B9R0.46 CCCCNCC(=O)NC 2230a_100000693194_100000210211 [0,2,0,0,0,0|2,0,0]=4 5117 B9R0.46 CCCCNCC(=O)NC 7a_106832991798_100000183359 [0,2,0,0,0,0|2,0,0]=4 5118 B9R0.46 CCCCNCC(=O)OC 2230a_100000102301_100000747449 [0,2,0,0,0,0|1,0,0]=3 5119 B9R0.46 CCCCNCC(=O)OC 7a_106832991798_100000747449 [0,2,0,0,0,0|1,0,0]=3 5120 B9R0.46 CCCCNNC(=O)CC 22a_100025702795_100000210414 [0,2,0,0,0,0|2,0,0]=4 5121 B9R0.46 CCCCNNC(=O)NC 273464a_100102657272_100025702795 [0,2,0,0,0,0|2,0,0]=4 5122 B9R0.46 CCCCNNC(=O)NC 512a_100025702795_100102657272 [0,2,0,0,0,0|2,0,0]=4 5123 B9R0.46 CCCCNNC(=O)NC 512a_106832991638_100025702795 [0,2,0,0,0,0|2,0,0]=4 5124 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [0,2,0,0,0,0|2,0,0]=4 5125 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [0,2,0,0,0,0|2,0,0]=4 5126 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [0,2,0,0,0,0|2,0,0]=4 5127 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [0,2,0,0,0,0|2,0,0]=4 5128 B9R0.46 CCCCOCC(=O)NC 11a_106832991635_100000757543 [0,2,0,0,0,0|2,0,0]=4 5129 B9R0.46 CCCCOCC(=O)NC 1626a_100102657272_100000757543 [0,2,0,0,0,0|2,0,0]=4 5130 B9R0.46 CCCCOCC(=O)NC 240690a_100102657272_100000757543 [0,2,0,0,0,0|2,0,0]=4 5131 B9R0.46 CCCCOCC(=O)NC 34a_100000210227_100000183359 [0,2,0,0,0,0|2,0,0]=4 5132 B9R0.46 CCCCOCC(=O)NC 34a_100000750040_100000210210 [0,2,0,0,0,0|2,0,0]=4 5133 B9R0.46 CCCCOCC(=O)NC 527a_100102657272_100000757543 [0,2,0,0,0,0|2,0,0]=4 5134 B9R0.46 CCCCOCC(=O)NC 7a_100000210227_100000183359 [0,2,0,0,0,0|2,0,0]=4 5135 B9R0.46 CCCCOCC(=O)OC 34a_100000210227_100000747449 [0,2,0,0,0,0|1,0,0]=3 5136 B9R0.46 CCCCOCC(=O)OC 7a_100000210227_100000747449 [0,2,0,0,0,0|1,0,0]=3 5137 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [0,2,0,0,0,0|2,0,0]=4 5138 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [0,2,0,0,0,0|2,0,0]=4 5139 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [0,2,0,0,0,0|2,0,0]=4 5140 B9R0.46 CCCCSCC(=O)NC 11a_106832991635_100000191162 [0,2,0,0,0,0|2,0,0]=4 5141 B9R0.46 CCCCSCC(=O)NC 1626a_100102657272_100000191162 [0,2,0,0,0,0|2,0,0]=4 5142 B9R0.46 CCCCSCC(=O)NC 240690a_100102657272_100000191162 [0,2,0,0,0,0|2,0,0]=4 5143 B9R0.46 CCCCSCC(=O)NC 527a_100102657272_100000191162 [0,2,0,0,0,0|2,0,0]=4 5144 B9R0.46 CCCCSCC(=O)NC 62a_100000183359_100000210210 [0,2,0,0,0,0|2,0,0]=4 5145 B9R0.46 CCCCSCC(=O)NC 62a_100000210211_100000183359 [0,2,0,0,0,0|2,0,0]=4 5146 B9R0.46 CCCCSCC(=O)OC 62a_100000210211_100000747449 [0,2,0,0,0,0|1,0,0]=3 5147 B9R0.46 CCCCSCC(=O)OC 62a_100000747449_100000210210 [0,2,0,0,0,0|1,0,0]=3 5148 B9R0.46 CCCNCCC(=O)NC 2230a_100000738227_100000210303 [0,2,0,0,0,0|2,0,0]=4 5149 B9R0.46 CCCNCCC(=O)NC 34a_100000738227_100000210303 [0,2,0,0,0,0|2,0,0]=4 5150 B9R0.46 CCCNN=CC(=O)OC 4a_100000740057_200011823558 [0,2,0,0,0,0|1,0,1]=4 5151 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [0,2,0,0,0,0|1,1,0]=4 5152 B9R0.46 CCCOCCC(=O)NC 34a_100000210258_100012179268 [0,2,0,0,0,0|1,1,0]=4 5153 B9R0.46 CCCOCCC(=O)NC 34a_100000754576_100000210303 [0,2,0,0,0,0|1,1,0]=4 5154 B9R0.46 CCCOCCC(=O)OC 34a_100000210258_100000742370 [0,2,0,0,0,0|0,1,0]=3 5155 B9R0.46 CCCSCCC(=O)NC 62a_100000210303_100000737683 [0,2,0,0,0,0|1,0,0]=3 5156 B9R0.46 CCCSCCC(=O)NC 62a_100000737683_100000210303 [0,2,0,0,0,0|1,0,0]=3 5157 B9R0.46 CCCSCCC(=O)OC 62a_100000204255_100000210303 [0,2,0,0,0,0|0,0,0]=2 5158 B9R0.46 CCCSCCC(=O)OC 62a_100000210303_100000204255 [0,2,0,0,0,0|0,0,0]=2 5159 B9R0.46 CCCSCOC(=O)OC 62a_100000210303_100000139417 [0,2,0,0,0,0|1,0,0]=3 5160 B9R0.46 CCNC/C=C/C(=O)OC 2230a_100015525214_100000742655 [0,2,0,0,0,0|1,0,1]=4 5161 B9R0.46 CCNCCCC(=O)NC 2230a_100000740002_100000210202 [0,2,0,0,0,0|2,0,0]=4 5162 B9R0.46 CCNCCCC(=O)NC 2230a_100015525214_100000741757 [0,2,0,0,0,0|2,0,0]=4 5163 B9R0.46 CCNCCCC(=O)NC 34a_100000740002_100000210202 [0,2,0,0,0,0|2,0,0]=4 5164 B9R0.46 CCNCCCC(=O)OC 2230a_100015525214_100011218270 [0,2,0,0,0,0|1,0,0]=3 5165 B9R0.46 CCNCCNC(=O)CC 34a_100132302217_100000210202 [0,2,0,0,0,0|2,0,0]=4 5166 B9R0.46 CCNCCNC(=O)NC 34a_100015205895_100000210202 [0,2,0,0,0,0|2,0,0]=4 5167 B9R0.46 CCNN=CCC(=O)OC 4a_100000756455_200011552997 [0,2,0,0,0,0|1,0,1]=4 5168 B9R0.46 CCOC/C=C/C(=O)OC 34a_100121572206_100000742655 [0,2,0,0,0,0|0,1,1]=4 5169 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [0,2,0,0,0,0|1,1,0]=4 5170 B9R0.46 CCOCCCC(=O)NC 34a_100121572206_100000741757 [0,2,0,0,0,0|1,1,0]=4 5171 B9R0.46 CCOCCCC(=O)OC 34a_100121572206_100000742333 [0,2,0,0,0,0|0,1,0]=3 5172 B9R0.46 CCOCCNC(=O)CC 11a_100011200944_100000210414 [0,2,0,0,0,0|1,1,0]=4 5173 B9R0.46 CCOCCNC(=O)CC 1626a_102516460346_100000210414 [0,2,0,0,0,0|1,1,0]=4 5174 B9R0.46 CCOCCNC(=O)CC 240690a_100011200944_100000210414 [0,2,0,0,0,0|1,1,0]=4 5175 B9R0.46 CCOCCNC(=O)CC 34a_200000158885_100000210202 [0,2,0,0,0,0|1,1,0]=4 5176 B9R0.46 CCOCCNC(=O)CC 527a_100011200944_100000210414 [0,2,0,0,0,0|1,1,0]=4 5177 B9R0.46 CCOCCNC(=O)CC 7a_200000158885_100000210202 [0,2,0,0,0,0|1,1,0]=4 5178 B9R0.46 CCOCCNC(=O)NC 2708a_100011200944_106832991635 [0,2,0,0,0,0|1,1,0]=4 5179 B9R0.46 CCOCCNC(=O)NC 2708a_100102657272_100011200944 [0,2,0,0,0,0|1,1,0]=4 5180 B9R0.46 CCOCCNC(=O)NC 273464a_100102657272_102516460346 [0,2,0,0,0,0|1,1,0]=4 5181 B9R0.46 CCOCCNC(=O)NC 273464a_102516460346_100102657272 [0,2,0,0,0,0|1,1,0]=4 5182 B9R0.46 CCOCCNC(=O)NC 512a_100011200944_100102657272 [0,2,0,0,0,0|1,1,0]=4 5183 B9R0.46 CCOCCNC(=O)NC 512a_106832991638_100011200944 [0,2,0,0,0,0|1,1,0]=4 5184 B9R0.46 CCOCCNC(=O)OC 34a_100000757965_100000210202 [0,2,0,0,0,0|0,1,0]=3 5185 B9R0.46 CCOCCOC(=O)CC 7a_200000031056_100000210202 [0,2,0,0,0,0|1,1,0]=4 5186 B9R0.46 CCOCCOC(=O)NC 34a_100121572206_200011997002 [0,2,0,0,0,0|1,1,0]=4 5187 B9R0.46 CCOCCOC(=O)OC 34a_100010262106_100000210202 [0,2,0,0,0,0|0,1,0]=3 5188 B9R0.46 CCOCSCC(=O)CC 62a_100000739092_100000747405 [0,2,0,0,0,0|1,1,0]=4 5189 B9R0.46 CCOCSCC(=O)CC 62a_100000747405_100000739092 [0,2,0,0,0,0|1,1,0]=4 5190 B9R0.46 CCOCSCC(=O)NC 62a_100000183359_100000739092 [0,2,0,0,0,0|1,1,0]=4 5191 B9R0.46 CCOCSCC(=O)NC 62a_100000739092_100000183359 [0,2,0,0,0,0|1,1,0]=4 5192 B9R0.46 CCOCSCC(=O)OC 62a_100000739092_100000747449 [0,2,0,0,0,0|0,1,0]=3 5193 B9R0.46 CCOCSCC(=O)OC 62a_100000747449_100000739092 [0,2,0,0,0,0|0,1,0]=3 5194 B9R0.46 CCSC/C=C/C(=O)OC 62a_100000210202_100000742655 [0,2,0,0,0,0|0,0,1]=3 5195 B9R0.46 CCSC/C=C/C(=O)OC 62a_100000742655_100000210202 [0,2,0,0,0,0|0,0,1]=3 5196 B9R0.46 CCSCCCC(=O)NC 62a_100000210202_100000741757 [0,2,0,0,0,0|1,0,0]=3 5197 B9R0.46 CCSCCCC(=O)NC 62a_100000741757_100000210202 [0,2,0,0,0,0|1,0,0]=3 5198 B9R0.46 CCSCCCC(=O)OC 62a_100000210202_100011218270 [0,2,0,0,0,0|0,0,0]=2 5199 B9R0.46 CCSCCCC(=O)OC 62a_100011218270_100000210202 [0,2,0,0,0,0|0,0,0]=2 5200 B9R0.46 CCSCCNC(=O)CC 11a_100000106463_100000210414 [0,2,0,0,0,0|1,0,0]=3 5201 B9R0.46 CCSCCNC(=O)CC 1626a_100000106463_100000210414 [0,2,0,0,0,0|1,0,0]=3 5202 B9R0.46 CCSCCNC(=O)CC 240690a_100000106463_100000210414 [0,2,0,0,0,0|1,0,0]=3 5203 B9R0.46 CCSCCNC(=O)CC 527a_100000106463_100000210414 [0,2,0,0,0,0|1,0,0]=3 5204 B9R0.46 CCSCCNC(=O)CO 240690a_100000106463_100000210174 [0,2,0,0,0,0|2,0,0]=4 5205 B9R0.46 CCSCCNC(=O)CO 527a_100000106463_100000210174 [0,2,0,0,0,0|2,0,0]=4 5206 B9R0.46 CCSCCNC(=O)NC 2708a_100000106463_106832991635 [0,2,0,0,0,0|1,0,0]=3 5207 B9R0.46 CCSCCNC(=O)NC 2708a_100102657272_100000106463 [0,2,0,0,0,0|1,0,0]=3 5208 B9R0.46 CCSCCNC(=O)NC 273464a_100000106463_100102657272 [0,2,0,0,0,0|1,0,0]=3 5209 B9R0.46 CCSCCNC(=O)NC 273464a_100102657272_100000106463 [0,2,0,0,0,0|1,0,0]=3 5210 B9R0.46 CCSCCNC(=O)NC 512a_100000106463_100102657272 [0,2,0,0,0,0|1,0,0]=3 5211 B9R0.46 CCSCCNC(=O)NC 512a_106832991638_100000106463 [0,2,0,0,0,0|1,0,0]=3 5212 B9R0.46 CCSCCOC(=O)NC 62a_100000210202_200011997002 [0,2,0,0,0,0|1,0,0]=3 5213 B9R0.46 CCSCCOC(=O)NC 62a_200011997002_100000210202 [0,2,0,0,0,0|1,0,0]=3 5214 B9R0.46 CCSCCSC(C)OC 62a_100000757381_100009879195 [0,2,0,0,0,0|1,0,1]=4 5215 B9R0.46 CCSCCSC(C)OC 62a_100009879195_100000757381 [0,2,0,0,0,0|1,0,1]=4 5216 B9R0.46 CNC(=O)CCCCCO 240690a_100102657272_100102619762 [0,2,0,0,0,0|2,0,0]=4 5217 B9R0.46 CNC(=O)CCCNCF 34a_100000740002_100015361967 [0,2,0,0,0,0|2,0,0]=4 5218 B9R0.46 CNC(=O)CCCSCF 62a_100000741757_100015361967 [0,2,0,0,0,0|1,0,0]=3 5219 B9R0.46 CNC(=O)CCCSCF 62a_100015361967_100000741757 [0,2,0,0,0,0|1,0,0]=3 5220 B9R0.46 CNC(=O)CCNCC#N 2230a_100000738227_100011215382 [0,2,0,0,0,0|2,0,0]=4 5221 B9R0.46 CNC(=O)CCNCC=O 2230a_100000738227_200015260668 [0,2,0,0,0,0|2,0,0]=4 5222 B9R0.46 CNC(=O)CCNCC=O 34a_100000738227_200009817547 [0,2,0,0,0,0|2,0,0]=4 5223 B9R0.46 CNC(=O)CCNCCF 2230a_100000738227_100011217306 [0,2,0,0,0,0|2,0,0]=4 5224 B9R0.46 CNC(=O)CCNCCF 34a_100000724931_100012179268 [0,2,0,0,0,0|2,0,0]=4 5225 B9R0.46 CNC(=O)CCNCCF 34a_100000738227_100011217306 [0,2,0,0,0,0|2,0,0]=4 5226 B9R0.46 CNC(=O)CCNCCO 2230a_100000738227_100000211926 [0,2,0,0,0,0|2,0,0]=4 5227 B9R0.46 CNC(=O)CCNCCO 2230a_100016997473_100000737683 [0,2,0,0,0,0|2,0,0]=4 5228 B9R0.46 CNC(=O)CCNCCO 34a_100000738227_100000211926 [0,2,0,0,0,0|2,0,0]=4 5229 B9R0.46 CNC(=O)CCNCCO 34a_100016990907_100012179268 [0,2,0,0,0,0|2,0,0]=4 5230 B9R0.46 CNC(=O)CCNCOC 2230a_100000738227_100000766300 [0,2,0,0,0,0|1,1,0]=4 5231 B9R0.46 CNC(=O)CCNCSC 2230a_100000738227_100011218213 [0,2,0,0,0,0|1,0,0]=3 5232 B9R0.46 CNC(=O)CCNCSC 34a_100000738227_100011218213 [0,2,0,0,0,0|1,0,0]=3 5233 B9R0.46 CNC(=O)CCOCC=O 34a_100000754576_200009817547 [0,2,0,0,0,0|1,1,0]=4 5234 B9R0.46 CNC(=O)CCOCCBr 34a_100000211926_100012179268 [0,2,0,0,0,0|1,1,0]=4 5235 B9R0.46 CNC(=O)CCOCCF 34a_100000754576_100011217306 [0,2,0,0,0,0|1,1,0]=4 5236 B9R0.46 CNC(=O)CCOCCN 34a_100000210304_100012179268 [0,2,0,0,0,0|1,1,0]=4 5237 B9R0.46 CNC(=O)CCOCCO 1626a_100102657272_100011229844 [0,2,0,0,0,0|1,1,0]=4 5238 B9R0.46 CNC(=O)CCOCCO 240690a_100102657272_100011229844 [0,2,0,0,0,0|1,1,0]=4 5239 B9R0.46 CNC(=O)CCOCCO 34a_100000754576_100000211926 [0,2,0,0,0,0|1,1,0]=4 5240 B9R0.46 CNC(=O)CCOCSC 34a_100000754576_100011218213 [0,2,0,0,0,0|1,0,0]=3 5241 B9R0.46 CNC(=O)CCSCC#N 62a_100000737683_100011215382 [0,2,0,0,0,0|1,0,0]=3 5242 B9R0.46 CNC(=O)CCSCC#N 62a_100011215382_100000737683 [0,2,0,0,0,0|1,0,0]=3 5243 B9R0.46 CNC(=O)CCSCC=O 62a_100000737683_200015260668 [0,2,0,0,0,0|1,0,0]=3 5244 B9R0.46 CNC(=O)CCSCC=O 62a_200015260668_100000737683 [0,2,0,0,0,0|1,0,0]=3 5245 B9R0.46 CNC(=O)CCSCCF 62a_100000737683_100011217306 [0,2,0,0,0,0|1,0,0]=3 5246 B9R0.46 CNC(=O)CCSCCF 62a_100011217306_100000737683 [0,2,0,0,0,0|1,0,0]=3 5247 B9R0.46 CNC(=O)CCSCCO 62a_100000211926_100000737683 [0,2,0,0,0,0|1,0,0]=3 5248 B9R0.46 CNC(=O)CCSCCO 62a_100000737683_100000211926 [0,2,0,0,0,0|1,0,0]=3 5249 B9R0.46 CNC(=O)CCSCOC 62a_100000737683_100000766300 [0,2,0,0,0,0|1,0,0]=3 5250 B9R0.46 CNC(=O)CCSCOC 62a_100000766300_100000737683 [0,2,0,0,0,0|1,0,0]=3 5251 B9R0.46 CNC(=O)CCSCSC 62a_100000737683_100011218213 [0,2,0,0,0,0|1,0,0]=3 5252 B9R0.46 CNC(=O)CCSCSC 62a_100011218213_100000737683 [0,2,0,0,0,0|1,0,0]=3 5253 B9R0.46 CNC(=O)CNCCCF 2230a_100000693194_100011934791 [0,2,0,0,0,0|2,0,0]=4 5254 B9R0.46 CNC(=O)CNCCCF 2230a_100015189416_100000183359 [0,2,0,0,0,0|2,0,0]=4 5255 B9R0.46 CNC(=O)CNCCCF 34a_100015189416_100000183359 [0,2,0,0,0,0|2,0,0]=4 5256 B9R0.46 CNC(=O)CNCCCO 2230a_100000693194_100000230001 [0,2,0,0,0,0|2,0,0]=4 5257 B9R0.46 CNC(=O)CNCCOC 2230a_100000209980_100000183359 [0,2,0,0,0,0|1,1,0]=4 5258 B9R0.46 CNC(=O)CNCCOC 2230a_100000693194_100011201679 [0,2,0,0,0,0|1,1,0]=4 5259 B9R0.46 CNC(=O)CNCCSC 2230a_100000693194_100000751147 [0,2,0,0,0,0|1,0,0]=3 5260 B9R0.46 CNC(=O)CNCCSC 2230a_100020590264_100000183359 [0,2,0,0,0,0|1,0,0]=3 5261 B9R0.46 CNC(=O)COCCCBr 34a_100011217188_100000183359 [0,2,0,0,0,0|2,0,0]=4 5262 B9R0.46 CNC(=O)COCCCCl 34a_100000230001_100000183359 [0,2,0,0,0,0|2,0,0]=4 5263 B9R0.46 CNC(=O)COCCCF 34a_100000750040_100011934791 [0,2,0,0,0,0|2,0,0]=4 5264 B9R0.46 CNC(=O)COCCCF 34a_100000759539_100000183359 [0,2,0,0,0,0|2,0,0]=4 5265 B9R0.46 CNC(=O)COCCCN 34a_100000182051_100000183359 [0,2,0,0,0,0|2,0,0]=4 5266 B9R0.46 CNC(=O)COCCCO 34a_100000750040_100000230001 [0,2,0,0,0,0|2,0,0]=4 5267 B9R0.46 CNC(=O)COCCOC 11a_106832991635_100000211095 [0,2,0,0,0,0|1,1,0]=4 5268 B9R0.46 CNC(=O)COCCOC 1626a_100102657272_100000211095 [0,2,0,0,0,0|1,1,0]=4 5269 B9R0.46 CNC(=O)COCCOC 240690a_100102657272_100000211095 [0,2,0,0,0,0|1,1,0]=4 5270 B9R0.46 CNC(=O)COCCOC 34a_100000210237_100000183359 [0,2,0,0,0,0|1,1,0]=4 5271 B9R0.46 CNC(=O)COCCOC 34a_100000750040_100011201679 [0,2,0,0,0,0|1,1,0]=4 5272 B9R0.46 CNC(=O)COCCOC 527a_100102657272_100000211095 [0,2,0,0,0,0|1,1,0]=4 5273 B9R0.46 CNC(=O)COCCSC 34a_100000230434_100000183359 [0,2,0,0,0,0|1,0,0]=3 5274 B9R0.46 CNC(=O)COCCSC 34a_100000750040_100000212216 [0,2,0,0,0,0|1,0,0]=3 5275 B9R0.46 CNC(=O)COCCSC 7a_100000230434_100000183359 [0,2,0,0,0,0|1,0,0]=3 5276 B9R0.46 CNC(=O)CSCCCF 62a_100000183359_100011934791 [0,2,0,0,0,0|2,0,0]=4 5277 B9R0.46 CNC(=O)CSCCCF 62a_100011934791_100000183359 [0,2,0,0,0,0|2,0,0]=4 5278 B9R0.46 CNC(=O)CSCCCO 62a_100000183359_100011215043 [0,2,0,0,0,0|2,0,0]=4 5279 B9R0.46 CNC(=O)CSCCCO 62a_100011215043_100000183359 [0,2,0,0,0,0|2,0,0]=4 5280 B9R0.46 CNC(=O)CSCCOC 62a_100000183359_100000233755 [0,2,0,0,0,0|1,1,0]=4 5281 B9R0.46 CNC(=O)CSCCOC 62a_100000233755_100000183359 [0,2,0,0,0,0|1,1,0]=4 5282 B9R0.46 CNC(=O)CSCCSC 62a_100000183359_100000751147 [0,2,0,0,0,0|1,0,0]=3 5283 B9R0.46 CNC(=O)CSCCSC 62a_100000212216_100000183359 [0,2,0,0,0,0|1,0,0]=3 5284 B9R0.46 CNC(=O)CSCSC#N 62a_100000183359_100000211825 [0,2,0,0,0,0|1,0,1]=4 5285 B9R0.46 CNC(=O)CSCSC#N 62a_100000211825_100000183359 [0,2,0,0,0,0|1,0,1]=4 5286 B9R0.46 CNC(=O)NCCCCO 2708a_100000750430_106832991635 [0,2,0,0,0,0|2,0,0]=4 5287 B9R0.46 CNC(=O)NCCCCO 2708a_100102657272_100000750430 [0,2,0,0,0,0|2,0,0]=4 5288 B9R0.46 CNC(=O)NCCCCO 273464a_100000750430_100102657272 [0,2,0,0,0,0|2,0,0]=4 5289 B9R0.46 CNC(=O)NCCCCO 273464a_100102657272_100000750430 [0,2,0,0,0,0|2,0,0]=4 5290 B9R0.46 CNC(=O)NCCCCO 512a_100000750430_100102657272 [0,2,0,0,0,0|2,0,0]=4 5291 B9R0.46 CNC(=O)NCCCCO 512a_106832991638_100000750430 [0,2,0,0,0,0|2,0,0]=4 5292 B9R0.46 CNC(=O)NCCCOC 2708a_100102657272_100150723488 [0,2,0,0,0,0|1,1,0]=4 5293 B9R0.46 CNC(=O)NCCCOC 2708a_100150723488_106832991635 [0,2,0,0,0,0|1,1,0]=4 5294 B9R0.46 CNC(=O)NCCCOC 273464a_100102657272_100150723488 [0,2,0,0,0,0|1,1,0]=4 5295 B9R0.46 CNC(=O)NCCCOC 273464a_100150723488_100102657272 [0,2,0,0,0,0|1,1,0]=4 5296 B9R0.46 CNC(=O)NCCCOC 512a_106832991638_100150723488 [0,2,0,0,0,0|1,1,0]=4 5297 B9R0.46 CNC(=O)NCCCSC 2708a_100000749238_106832991635 [0,2,0,0,0,0|1,0,0]=3 5298 B9R0.46 CNC(=O)NCCCSC 2708a_100102657272_100000749238 [0,2,0,0,0,0|1,0,0]=3 5299 B9R0.46 CNC(=O)NCCCSC 273464a_100000749238_100102657272 [0,2,0,0,0,0|1,0,0]=3 5300 B9R0.46 CNC(=O)NCCCSC 273464a_100102657272_100000749238 [0,2,0,0,0,0|1,0,0]=3 5301 B9R0.46 CNC(=O)NCCCSC 512a_100000749238_100102657272 [0,2,0,0,0,0|1,0,0]=3 5302 B9R0.46 CNC(=O)NCCCSC 512a_106832991638_100000749238 [0,2,0,0,0,0|1,0,0]=3 5303 B9R0.46 CNC(=O)NCCNCF 34a_100015205895_100015361967 [0,2,0,0,0,0|2,0,0]=4 5304 B9R0.46 CNC(=O)NNCCOC 273464a_100102657272_100000741390 [0,2,0,0,0,0|1,1,0]=4 5305 B9R0.46 CNC(=O)OCCSCF 62a_100015361967_200011997002 [0,2,0,0,0,0|1,0,0]=3 5306 B9R0.46 CNC(=O)OCCSCF 62a_200011997002_100015361967 [0,2,0,0,0,0|1,0,0]=3 5307 B9R0.46 CNCCCCC(=O)OC 2230a_106832991635_100000204269 [0,2,0,0,0,0|1,0,0]=3 5308 B9R0.46 CNCCCCC(=O)OC 34a_100102657272_100000204269 [0,2,0,0,0,0|1,0,0]=3 5309 B9R0.46 CNCCCCC(=O)OC 7a_106832991635_100000204269 [0,2,0,0,0,0|1,0,0]=3 5310 B9R0.46 CNCCOCC(=O)OC 2230a_106832991635_100000090808 [0,2,0,0,0,0|1,0,0]=3 5311 B9R0.46 CNCCOCC(=O)OC 34a_100102657272_100000090808 [0,2,0,0,0,0|1,0,0]=3 5312 B9R0.46 CNCCOCC(=O)OC 7a_106832991635_100000090808 [0,2,0,0,0,0|1,0,0]=3 5313 B9R0.46 COC(=O)/C=C/CSCF 62a_100000742655_100015361967 [0,2,0,0,0,0|0,0,1]=3 5314 B9R0.46 COC(=O)/C=C/CSCF 62a_100015361967_100000742655 [0,2,0,0,0,0|0,0,1]=3 5315 B9R0.46 COC(=O)CCCCO[13CH3] 34a_100000059025_200025704644 [0,2,0,0,0,0|0,1,0]=3 5316 B9R0.46 COC(=O)CCCCO[13CH3] 7a_100000059025_200025704644 [0,2,0,0,0,0|0,1,0]=3 5317 B9R0.46 COC(=O)CCCCSC 62a_100000204269_200000210301 [0,2,0,0,0,0|0,0,0]=2 5318 B9R0.46 COC(=O)CCCCSC 62a_200000210301_100000204269 [0,2,0,0,0,0|0,0,0]=2 5319 B9R0.46 COC(=O)CCCCS[13CH3] 62a_100000204269_200025704644 [0,2,0,0,0,0|0,0,0]=2 5320 B9R0.46 COC(=O)CCCCS[13CH3] 62a_200025704644_100000204269 [0,2,0,0,0,0|0,0,0]=2 5321 B9R0.46 COC(=O)CCCSCF 62a_100011218270_100015361967 [0,2,0,0,0,0|0,0,0]=2 5322 B9R0.46 COC(=O)CCCSCF 62a_100015361967_100011218270 [0,2,0,0,0,0|0,0,0]=2 5323 B9R0.46 COC(=O)CCNCCF 34a_100000724931_100000742370 [0,2,0,0,0,0|1,0,0]=3 5324 B9R0.46 COC(=O)CCNCCO 2230a_100016997473_100000204255 [0,2,0,0,0,0|1,0,0]=3 5325 B9R0.46 COC(=O)CCNCCO 34a_100016990907_100000742370 [0,2,0,0,0,0|1,0,0]=3 5326 B9R0.46 COC(=O)CCOCCBr 34a_100000211926_100000742370 [0,2,0,0,0,0|0,1,0]=3 5327 B9R0.46 COC(=O)CCOCCN 34a_100000210304_100000742370 [0,2,0,0,0,0|0,1,0]=3 5328 B9R0.46 COC(=O)CCSCC#N 62a_100000204255_100011215382 [0,2,0,0,0,0|0,0,0]=2 5329 B9R0.46 COC(=O)CCSCC#N 62a_100011215382_100000204255 [0,2,0,0,0,0|0,0,0]=2 5330 B9R0.46 COC(=O)CCSCC=O 62a_100000204255_200015260668 [0,2,0,0,0,0|0,0,0]=2 5331 B9R0.46 COC(=O)CCSCC=O 62a_200015260668_100000204255 [0,2,0,0,0,0|0,0,0]=2 5332 B9R0.46 COC(=O)CCSCCF 62a_100000204255_100011217306 [0,2,0,0,0,0|0,0,0]=2 5333 B9R0.46 COC(=O)CCSCCF 62a_100011217306_100000204255 [0,2,0,0,0,0|0,0,0]=2 5334 B9R0.46 COC(=O)CCSCCO 62a_100000204255_100000211926 [0,2,0,0,0,0|0,0,0]=2 5335 B9R0.46 COC(=O)CCSCCO 62a_100000211926_100000204255 [0,2,0,0,0,0|0,0,0]=2 5336 B9R0.46 COC(=O)CCSCSC 62a_100000204255_100011218213 [0,2,0,0,0,0|0,0,0]=2 5337 B9R0.46 COC(=O)CCSCSC 62a_100011218213_100000204255 [0,2,0,0,0,0|0,0,0]=2 5338 B9R0.46 COC(=O)CNCCCF 2230a_100015189416_100000747449 [0,2,0,0,0,0|1,0,0]=3 5339 B9R0.46 COC(=O)CNCCCF 34a_100015189416_100000747449 [0,2,0,0,0,0|1,0,0]=3 5340 B9R0.46 COC(=O)CNCCSC 2230a_100020590264_100000747449 [0,2,0,0,0,0|0,0,0]=2 5341 B9R0.46 COC(=O)COCCCBr 34a_100011217188_100000747449 [0,2,0,0,0,0|1,0,0]=3 5342 B9R0.46 COC(=O)COCCCCl 34a_100000230001_100000747449 [0,2,0,0,0,0|1,0,0]=3 5343 B9R0.46 COC(=O)COCCCF 34a_100000759539_100000747449 [0,2,0,0,0,0|1,0,0]=3 5344 B9R0.46 COC(=O)COCCCN 34a_100000182051_100000747449 [0,2,0,0,0,0|1,0,0]=3 5345 B9R0.46 COC(=O)COCCON 34a_100000700252_100000747449 [0,2,0,0,0,0|1,1,0]=4 5346 B9R0.46 COC(=O)COCCSC 34a_100000230434_100000747449 [0,2,0,0,0,0|0,0,0]=2 5347 B9R0.46 COC(=O)COCCSC 62a_100000090808_200000210301 [0,2,0,0,0,0|0,0,0]=2 5348 B9R0.46 COC(=O)COCCSC 62a_200000210301_100000090808 [0,2,0,0,0,0|0,0,0]=2 5349 B9R0.46 COC(=O)COCCSC 7a_100000230434_100000747449 [0,2,0,0,0,0|0,0,0]=2 5350 B9R0.46 COC(=O)COCCS[13CH3] 62a_100000090808_200025704644 [0,2,0,0,0,0|0,0,0]=2 5351 B9R0.46 COC(=O)COCCS[13CH3] 62a_200025704644_100000090808 [0,2,0,0,0,0|0,0,0]=2 5352 B9R0.46 COC(=O)CSCCC#N 62a_100000747449_100011215226 [0,2,0,0,0,0|1,0,1]=4 5353 B9R0.46 COC(=O)CSCCC#N 62a_100011215226_100000747449 [0,2,0,0,0,0|1,0,1]=4 5354 B9R0.46 COC(=O)CSCCCF 62a_100000747449_100011934791 [0,2,0,0,0,0|1,0,0]=3 5355 B9R0.46 COC(=O)CSCCCF 62a_100011934791_100000747449 [0,2,0,0,0,0|1,0,0]=3 5356 B9R0.46 COC(=O)CSCCCO 62a_100000747449_100011215043 [0,2,0,0,0,0|1,0,0]=3 5357 B9R0.46 COC(=O)CSCCCO 62a_100011215043_100000747449 [0,2,0,0,0,0|1,0,0]=3 5358 B9R0.46 COC(=O)CSCCSC 62a_100000212216_100000747449 [0,2,0,0,0,0|0,0,0]=2 5359 B9R0.46 COC(=O)CSCCSC 62a_100000747449_100000751147 [0,2,0,0,0,0|0,0,0]=2 5360 B9R0.46 COC(=O)CSCSC#N 62a_100000211825_100000747449 [0,2,0,0,0,0|0,0,1]=3 5361 B9R0.46 COC(=O)CSCSC#N 62a_100000747449_100000211825 [0,2,0,0,0,0|0,0,1]=3 5362 B9R0.46 COC(=O)NCCOCF 34a_100000757965_100015361967 [0,2,0,0,0,0|0,1,0]=3 5363 B9R0.46 COC(=O)OCCOCF 34a_100010262106_100015361967 [0,2,0,0,0,0|0,1,0]=3 5364 B9R0.46 COC(=O)OCSCC#N 62a_100011215382_100000139417 [0,2,0,0,0,0|1,0,0]=3 5365 B9R0.46 COC(=O)OCSCC=O 62a_200015260668_100000139417 [0,2,0,0,0,0|1,0,0]=3 5366 B9R0.46 COC(=O)OCSCCF 62a_100011217306_100000139417 [0,2,0,0,0,0|1,0,0]=3 5367 B9R0.46 COC(=O)OCSCCO 62a_100000211926_100000139417 [0,2,0,0,0,0|1,0,0]=3 5368 B9R0.46 COC(=O)OCSCSC 62a_100011218213_100000139417 [0,2,0,0,0,0|0,0,0]=2 5369 B9R0.46 COC(C)COCCSC 34a_100000690652_100000212216 [0,2,0,0,0,0|1,0,1]=4 5370 B9R0.46 COCCCCC(=O)OC 34a_100000059025_200000210301 [0,2,0,0,0,0|0,1,0]=3 5371 B9R0.46 COCCCCC(=O)OC 34a_100138415774_100000204269 [0,2,0,0,0,0|0,1,0]=3 5372 B9R0.46 COCCCCC(=O)OC 7a_100000059025_200000210301 [0,2,0,0,0,0|0,1,0]=3 5373 B9R0.46 COCCNCC(=O)OC 2230a_100000209980_100000747449 [0,2,0,0,0,0|0,1,0]=3 5374 B9R0.46 COCCOCC(=O)OC 34a_100000210237_100000747449 [0,2,0,0,0,0|0,1,0]=3 5375 B9R0.46 COCCOCC(=O)OC 34a_100138415774_100000090808 [0,2,0,0,0,0|0,1,0]=3 5376 B9R0.46 COCCSCC(=O)OC 62a_100000233755_100000747449 [0,2,0,0,0,0|0,1,0]=3 5377 B9R0.46 COCCSCC(=O)OC 62a_100000747449_100000233755 [0,2,0,0,0,0|0,1,0]=3 5378 B9R0.46 COCSCCC(=O)OC 62a_100000204255_100000766300 [0,2,0,0,0,0|0,0,0]=2 5379 B9R0.46 COCSCCC(=O)OC 62a_100000766300_100000204255 [0,2,0,0,0,0|0,0,0]=2 5380 B9R0.46 COCSCOC(=O)OC 62a_100000766300_100000139417 [0,2,0,0,0,0|0,1,0]=3 5381 B9R0.46 CO[C@H](C)CNCCSC 2230a_100020591295_100000751147 [0,2,0,0,0,0|1,0,1]=4 5382 B9R0.46 CSCCCNC(=O)CO 240690a_100000749238_100000210174 [0,2,0,0,0,0|2,0,0]=4 5383 B9R0.46 CSCCCNC(=O)CO 527a_100000749238_100000210174 [0,2,0,0,0,0|2,0,0]=4 5384 B9R0.47 C=C(Br)C(=O)NCCSC 11a_100020590264_100009813364 [0,2,0,0,0,0|1,0,1]=4 5385 B9R0.47 C=C(Br)C(=O)NCCSC 1626a_100020590264_100009813364 [0,2,0,0,0,0|1,0,1]=4 5386 B9R0.47 C=C(C)C(=O)CCCCC 1458a_100000185857_100000210326 [0,2,0,0,0,0|2,0,0]=4 5387 B9R0.47 C=C(C)C(=O)CCCCF 1458a_100000185857_100000729493 [0,2,0,0,0,0|2,0,0]=4 5388 B9R0.47 C=C(C)C(=O)CCCCO 1458a_100000185857_100000210776 [0,2,0,0,0,0|2,0,0]=4 5389 B9R0.47 C=C(C)C(=O)CCCOC 1458a_100000185857_100000740836 [0,2,0,0,0,0|1,1,0]=4 5390 B9R0.47 C=C(C)C(=O)CCOCC 1458a_100000185857_100011215890 [0,2,0,0,0,0|1,1,0]=4 5391 B9R0.47 C=C(C)C(=O)CCSCC 1458a_100000185857_100000757381 [0,2,0,0,0,0|1,0,0]=3 5392 B9R0.47 C=C(C)C(=O)NCCCC 11a_100000102301_100000185857 [0,2,0,0,0,0|2,0,0]=4 5393 B9R0.47 C=C(C)C(=O)NCCCC 1626a_100000102301_100000185857 [0,2,0,0,0,0|2,0,0]=4 5394 B9R0.47 C=C(C)C(=O)NCCNC 2230a_100102636416_200000210301 [0,2,0,0,0,0|2,0,0]=4 5395 B9R0.47 C=C(C)C(=O)NCCN[13CH3] 2230a_100102636416_200025704644 [0,2,0,0,0,0|2,0,0]=4 5396 B9R0.47 C=C(C)C(=O)NCCOC 1626a_100000209980_100000185857 [0,2,0,0,0,0|1,1,0]=4 5397 B9R0.47 C=C(C)C(=O)NCCSC 11a_100020590264_100000185857 [0,2,0,0,0,0|1,0,0]=3 5398 B9R0.47 C=C(C)C(=O)NCCSC 1626a_100020590264_100000185857 [0,2,0,0,0,0|1,0,0]=3 5399 B9R0.47 C=C(C)C(=O)OCCNC 2230a_106832991635_100009816335 [0,2,0,0,0,0|2,0,0]=4 5400 B9R0.47 C=C(C)C(=O)OCCNC 34a_100102657272_100009816335 [0,2,0,0,0,0|2,0,0]=4 5401 B9R0.47 C=C(C)C(=O)OCCNC 7a_106832991635_100009816335 [0,2,0,0,0,0|2,0,0]=4 5402 B9R0.47 C=C(C)C(=O)OCCOC 34a_100138415774_100009816335 [0,2,0,0,0,0|1,1,0]=4 5403 B9R0.47 C=C(C)C(=O)OCCSC 62a_100009816335_200000210301 [0,2,0,0,0,0|1,0,0]=3 5404 B9R0.47 C=C(C)C(=O)OCCSC 62a_200000210301_100009816335 [0,2,0,0,0,0|1,0,0]=3 5405 B9R0.47 C=C(C)C(=O)OCCS[13CH3] 62a_100009816335_200025704644 [0,2,0,0,0,0|1,0,0]=3 5406 B9R0.47 C=C(C)C(=O)OCCS[13CH3] 62a_200025704644_100009816335 [0,2,0,0,0,0|1,0,0]=3 5407 B9R0.47 C=C(Cl)C(=O)NCCSC 11a_100020590264_100000039160 [0,2,0,0,0,0|1,0,1]=4 5408 B9R0.47 C=C(Cl)C(=O)NCCSC 1626a_100020590264_100000039160 [0,2,0,0,0,0|1,0,1]=4 5409 B9R0.47 C=C(F)C(=O)NCCSC 11a_100020590264_100000036797 [0,2,0,0,0,0|1,0,1]=4 5410 B9R0.47 C=C(F)C(=O)NCCSC 1626a_100020590264_100000036797 [0,2,0,0,0,0|1,0,1]=4 5411 B9R0.47 CC(C)C(=O)CCCCF 1458a_100000210198_100000729493 [0,2,0,0,0,0|2,0,0]=4 5412 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000210198_100000210776 [0,2,0,0,0,0|2,0,0]=4 5413 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000695505_100000210206 [0,2,0,0,0,0|2,0,0]=4 5414 B9R0.47 CC(C)C(=O)NCCN[13CH3] 2230a_100000752568_200025704644 [0,2,0,0,0,0|2,0,0]=4 5415 B9R0.47 CC(C)C(=O)NCCN[13CH3] 34a_100000752568_200025704644 [0,2,0,0,0,0|2,0,0]=4 5416 B9R0.47 CC(C)C(=O)OCSCF 62a_100000139345_100015361967 [0,2,0,0,0,0|2,0,0]=4 5417 B9R0.47 CC(C)C(=O)OCSCF 62a_100015361967_100000139345 [0,2,0,0,0,0|2,0,0]=4 5418 B9R0.47 CC(F)C(=O)CCCCF 1458a_100000062450_100000729493 [0,2,0,0,0,0|2,0,0]=4 5419 B9R0.47 CC(F)C(=O)CCCCO 1458a_100000062450_100000210776 [0,2,0,0,0,0|2,0,0]=4 5420 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000210198_100000210326 [0,2,0,0,0,0|2,0,0]=4 5421 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000212188_100000210206 [0,2,0,0,0,0|2,0,0]=4 5422 B9R0.47 CCCCCC(=O)C(C)F 1458a_100000062450_100000210326 [0,2,0,0,0,0|2,0,0]=4 5423 B9R0.47 CCCCCC(=O)N(C)C 11a_100102631434_100000212188 [0,2,0,0,0,0|2,0,0]=4 5424 B9R0.47 CCCCCC(=O)N(C)C 1626a_100102631434_100000212188 [0,2,0,0,0,0|2,0,0]=4 5425 B9R0.47 CCCCCC(=O)N(C)C 240690a_100102631434_100000212188 [0,2,0,0,0,0|2,0,0]=4 5426 B9R0.47 CCCCCC(=O)N(C)C 527a_100102631434_100000212188 [0,2,0,0,0,0|2,0,0]=4 5427 B9R0.47 CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210326 [0,2,0,0,0,0|2,0,0]=4 5428 B9R0.47 CCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210326 [0,2,0,0,0,0|2,0,0]=4 5429 B9R0.47 CCCCNC(=O)C(C)C 11a_100000102301_100000210198 [0,2,0,0,0,0|2,0,0]=4 5430 B9R0.47 CCCCNC(=O)C(C)C 1626a_100000102301_100000210198 [0,2,0,0,0,0|2,0,0]=4 5431 B9R0.47 CCCCNC(=O)C(C)C 240690a_100000102301_100000210198 [0,2,0,0,0,0|2,0,0]=4 5432 B9R0.47 CCCCNC(=O)C(C)C 527a_100000102301_100000210198 [0,2,0,0,0,0|2,0,0]=4 5433 B9R0.47 CCCCNC(=O)C(C)F 11a_100000102301_100000062450 [0,2,0,0,0,0|2,0,0]=4 5434 B9R0.47 CCCCNC(=O)C(C)F 1626a_100000102301_100000062450 [0,2,0,0,0,0|2,0,0]=4 5435 B9R0.47 CCCCNC(=O)C(C)F 240690a_100000102301_100000062450 [0,2,0,0,0,0|2,0,0]=4 5436 B9R0.47 CCCCNC(=O)C(C)F 527a_100000102301_100000062450 [0,2,0,0,0,0|2,0,0]=4 5437 B9R0.47 CCCCNC(=O)N(C)C 2708a_100000102301_100102631434 [0,2,0,0,0,0|2,0,0]=4 5438 B9R0.47 CCCCNC(=O)[C@@H](C)O 240690a_100000102301_100000717761 [0,2,0,0,0,0|2,0,0]=4 5439 B9R0.47 CCCCNC(=O)[C@H](C)O 1626a_100000102301_217856618621 [0,2,0,0,0,0|2,0,0]=4 5440 B9R0.47 CCCCNC(=O)[C@H](C)O 240690a_100000102301_217856618621 [0,2,0,0,0,0|2,0,0]=4 5441 B9R0.47 CCCNCC(=O)N(C)C 2230a_100015183351_100000210303 [0,2,0,0,0,0|2,0,0]=4 5442 B9R0.47 CCCOCC(=O)C(=O)C 34a_100000210258_100011261029 [0,2,0,0,0,0|2,0,0]=4 5443 B9R0.47 CCCOCC(=O)C(C)C 1458a_100000745993_100000210206 [0,2,0,0,0,0|2,0,0]=4 5444 B9R0.47 CCCOCC(=O)C(C)C 34a_100000210258_100000753385 [0,2,0,0,0,0|2,0,0]=4 5445 B9R0.47 CCCOCC(=O)N(C)C 11a_100102631434_100000745993 [0,2,0,0,0,0|2,0,0]=4 5446 B9R0.47 CCCOCC(=O)N(C)C 1626a_100102631434_100000745993 [0,2,0,0,0,0|2,0,0]=4 5447 B9R0.47 CCCOCC(=O)N(C)C 240690a_100102631434_100000745993 [0,2,0,0,0,0|2,0,0]=4 5448 B9R0.47 CCCOCC(=O)N(C)C 34a_100000210258_100000692301 [0,2,0,0,0,0|2,0,0]=4 5449 B9R0.47 CCCOCC(=O)N(C)C 527a_100102631434_100000745993 [0,2,0,0,0,0|2,0,0]=4 5450 B9R0.47 CCCSCC(=O)C(=O)C 62a_100000210303_100011261029 [0,2,0,0,0,0|2,0,0]=4 5451 B9R0.47 CCCSCC(=O)C(=O)C 62a_100011261029_100000210303 [0,2,0,0,0,0|2,0,0]=4 5452 B9R0.47 CCCSCC(=O)C(C)C 1458a_100000217233_100000210206 [0,2,0,0,0,0|2,0,0]=4 5453 B9R0.47 CCCSCC(=O)C(C)C 62a_100000210303_100000753385 [0,2,0,0,0,0|2,0,0]=4 5454 B9R0.47 CCCSCC(=O)C(C)C 62a_100000753385_100000210303 [0,2,0,0,0,0|2,0,0]=4 5455 B9R0.47 CCCSCC(=O)N(C)C 11a_100102631434_100000217233 [0,2,0,0,0,0|2,0,0]=4 5456 B9R0.47 CCCSCC(=O)N(C)C 1626a_100102631434_100000217233 [0,2,0,0,0,0|2,0,0]=4 5457 B9R0.47 CCCSCC(=O)N(C)C 240690a_100102631434_100000217233 [0,2,0,0,0,0|2,0,0]=4 5458 B9R0.47 CCCSCC(=O)N(C)C 527a_100102631434_100000217233 [0,2,0,0,0,0|2,0,0]=4 5459 B9R0.47 CCCSCC(=O)N(C)C 62a_100000210303_100000692301 [0,2,0,0,0,0|2,0,0]=4 5460 B9R0.47 CCCSCC(=O)N(C)C 62a_100000692301_100000210303 [0,2,0,0,0,0|2,0,0]=4 5461 B9R0.47 CCNCCC(=O)N(C)C 2230a_100000738053_100000210202 [0,2,0,0,0,0|2,0,0]=4 5462 B9R0.47 CCNCCC(=O)N(C)C 2230a_100015525214_100000737620 [0,2,0,0,0,0|2,0,0]=4 5463 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000210198_100011215890 [0,2,0,0,0,0|1,1,0]=4 5464 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000749530_100000210206 [0,2,0,0,0,0|1,1,0]=4 5465 B9R0.47 CCOCCC(=O)C(C)F 1458a_100000062450_100011215890 [0,2,0,0,0,0|1,1,0]=4 5466 B9R0.47 CCOCCC(=O)N(C)C 11a_100102631434_100000749530 [0,2,0,0,0,0|1,1,0]=4 5467 B9R0.47 CCOCCC(=O)N(C)C 1626a_100102631434_100000749530 [0,2,0,0,0,0|1,1,0]=4 5468 B9R0.47 CCOCCC(=O)N(C)C 240690a_100102631434_100000749530 [0,2,0,0,0,0|1,1,0]=4 5469 B9R0.47 CCOCCC(=O)N(C)C 34a_200000747469_100000210202 [0,2,0,0,0,0|1,1,0]=4 5470 B9R0.47 CCOCCC(=O)N(C)C 527a_100102631434_100000749530 [0,2,0,0,0,0|1,1,0]=4 5471 B9R0.47 CCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215890 [0,2,0,0,0,0|1,1,0]=4 5472 B9R0.47 CCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215890 [0,2,0,0,0,0|1,1,0]=4 5473 B9R0.47 CCSCCC(=O)C(C)C 1458a_100000210198_100000757381 [0,2,0,0,0,0|1,0,0]=3 5474 B9R0.47 CCSCCC(=O)C(C)C 1458a_100000230768_100000210206 [0,2,0,0,0,0|1,0,0]=3 5475 B9R0.47 CCSCCC(=O)C(C)F 1458a_100000062450_100000757381 [0,2,0,0,0,0|1,0,0]=3 5476 B9R0.47 CCSCCC(=O)C(O)O 1458a_100000233687_100000757381 [0,2,0,0,0,0|2,0,0]=4 5477 B9R0.47 CCSCCC(=O)N(C)C 11a_100102631434_100000230768 [0,2,0,0,0,0|1,0,0]=3 5478 B9R0.47 CCSCCC(=O)N(C)C 1626a_100102631434_100000230768 [0,2,0,0,0,0|1,0,0]=3 5479 B9R0.47 CCSCCC(=O)N(C)C 240690a_100102631434_100000230768 [0,2,0,0,0,0|1,0,0]=3 5480 B9R0.47 CCSCCC(=O)N(C)C 527a_100102631434_100000230768 [0,2,0,0,0,0|1,0,0]=3 5481 B9R0.47 CCSCCC(=O)N(C)C 62a_100000210202_100000737620 [0,2,0,0,0,0|1,0,0]=3 5482 B9R0.47 CCSCCC(=O)N(C)C 62a_100000737620_100000210202 [0,2,0,0,0,0|1,0,0]=3 5483 B9R0.47 CCSCCC(=O)[C@@H](C)O 1458a_100000717761_100000757381 [0,2,0,0,0,0|1,0,0]=3 5484 B9R0.47 CCSCCC(=O)[C@H](C)O 1458a_217856618621_100000757381 [0,2,0,0,0,0|1,0,0]=3 5485 B9R0.47 CCSCOC(=O)C(C)C 62a_100000139345_100000210202 [0,2,0,0,0,0|2,0,0]=4 5486 B9R0.47 CCSCOC(=O)C(C)C 62a_100000210202_100000139345 [0,2,0,0,0,0|2,0,0]=4 5487 B9R0.47 CN(C)C(=O)CCCCO 1626a_100102631434_100000695505 [0,2,0,0,0,0|2,0,0]=4 5488 B9R0.47 CN(C)C(=O)CCCN[13CH3] 2230a_200000744827_200025704644 [0,2,0,0,0,0|2,0,0]=4 5489 B9R0.47 CN(C)C(=O)CCCS[13CH3] 62a_100000737642_200025704644 [0,2,0,0,0,0|1,0,0]=3 5490 B9R0.47 CN(C)C(=O)CCCS[13CH3] 62a_200025704644_100000737642 [0,2,0,0,0,0|1,0,0]=3 5491 B9R0.47 CN(C)C(=O)CCOCF 34a_200000747469_100015361967 [0,2,0,0,0,0|1,1,0]=4 5492 B9R0.47 CN(C)C(=O)CCSCF 62a_100000737620_100015361967 [0,2,0,0,0,0|1,0,0]=3 5493 B9R0.47 CN(C)C(=O)CCSCF 62a_100015361967_100000737620 [0,2,0,0,0,0|1,0,0]=3 5494 B9R0.47 CNCCCC(=O)N(C)C 2230a_106832991635_100000737642 [0,2,0,0,0,0|2,0,0]=4 5495 B9R0.47 CNCCCC(=O)N(C)C 2230a_200000744827_200000210301 [0,2,0,0,0,0|2,0,0]=4 5496 B9R0.47 CNCCCC(=O)N(C)C 7a_106832991635_100000737642 [0,2,0,0,0,0|2,0,0]=4 5497 B9R0.47 CNCCNC(=O)C(C)C 2230a_100000752568_200000210301 [0,2,0,0,0,0|2,0,0]=4 5498 B9R0.47 CNCCNC(=O)C(C)C 34a_100000752568_200000210301 [0,2,0,0,0,0|2,0,0]=4 5499 B9R0.47 COCCCC(=O)C(C)C 1458a_100000210198_100000740836 [0,2,0,0,0,0|1,1,0]=4 5500 B9R0.47 COCCCC(=O)C(C)C 1458a_100000741012_100000210206 [0,2,0,0,0,0|1,1,0]=4 5501 B9R0.47 COCCCC(=O)C(C)F 1458a_100000062450_100000740836 [0,2,0,0,0,0|1,1,0]=4 5502 B9R0.47 COCCCC(=O)N(C)C 11a_100102631434_100000741012 [0,2,0,0,0,0|1,1,0]=4 5503 B9R0.47 COCCCC(=O)N(C)C 1626a_100102631434_100000741012 [0,2,0,0,0,0|1,1,0]=4 5504 B9R0.47 COCCCC(=O)N(C)C 240690a_100102631434_100000741012 [0,2,0,0,0,0|1,1,0]=4 5505 B9R0.47 COCCCC(=O)N(C)C 527a_100102631434_100000741012 [0,2,0,0,0,0|1,1,0]=4 5506 B9R0.47 COCCCC(=O)[C@@H](C)O 1458a_100000717761_100000740836 [0,2,0,0,0,0|1,1,0]=4 5507 B9R0.47 COCCCC(=O)[C@H](C)O 1458a_217856618621_100000740836 [0,2,0,0,0,0|1,1,0]=4 5508 B9R0.47 COCCNC(=O)C(C)C 1626a_100000209980_100000210198 [0,2,0,0,0,0|1,1,0]=4 5509 B9R0.47 COCCNC(=O)C(C)C 240690a_100000209980_100000210198 [0,2,0,0,0,0|1,1,0]=4 5510 B9R0.47 COCCNC(=O)C(C)C 527a_100000209980_100000210198 [0,2,0,0,0,0|1,1,0]=4 5511 B9R0.47 COCCNC(=O)C(C)F 1626a_100000209980_100000062450 [0,2,0,0,0,0|1,1,0]=4 5512 B9R0.47 COCCNC(=O)C(C)F 240690a_100000209980_100000062450 [0,2,0,0,0,0|1,1,0]=4 5513 B9R0.47 COCCNC(=O)C(C)F 527a_100000209980_100000062450 [0,2,0,0,0,0|1,1,0]=4 5514 B9R0.47 COCCNC(=O)[C@@H](C)O 240690a_100000209980_100000717761 [0,2,0,0,0,0|1,1,0]=4 5515 B9R0.47 COCCNC(=O)[C@H](C)O 1626a_100000209980_217856618621 [0,2,0,0,0,0|1,1,0]=4 5516 B9R0.47 COCCNC(=O)[C@H](C)O 240690a_100000209980_217856618621 [0,2,0,0,0,0|1,1,0]=4 5517 B9R0.47 COCNCC(=O)N(C)C 2230a_100015183351_100000766300 [0,2,0,0,0,0|1,1,0]=4 5518 B9R0.47 COCSCC(=O)C(=O)C 62a_100000766300_100011261029 [0,2,0,0,0,0|1,1,0]=4 5519 B9R0.47 COCSCC(=O)C(=O)C 62a_100011261029_100000766300 [0,2,0,0,0,0|1,1,0]=4 5520 B9R0.47 COCSCC(=O)C(C)C 62a_100000753385_100000766300 [0,2,0,0,0,0|1,1,0]=4 5521 B9R0.47 COCSCC(=O)C(C)C 62a_100000766300_100000753385 [0,2,0,0,0,0|1,1,0]=4 5522 B9R0.47 COCSCC(=O)N(C)C 62a_100000692301_100000766300 [0,2,0,0,0,0|1,1,0]=4 5523 B9R0.47 COCSCC(=O)N(C)C 62a_100000766300_100000692301 [0,2,0,0,0,0|1,1,0]=4 5524 B9R0.47 CSCCCC(=O)C(C)C 1458a_100000173376_100000210206 [0,2,0,0,0,0|1,0,0]=3 5525 B9R0.47 CSCCCC(=O)N(C)C 11a_100102631434_100000173376 [0,2,0,0,0,0|1,0,0]=3 5526 B9R0.47 CSCCCC(=O)N(C)C 1626a_100102631434_100000173376 [0,2,0,0,0,0|1,0,0]=3 5527 B9R0.47 CSCCCC(=O)N(C)C 240690a_100102631434_100000173376 [0,2,0,0,0,0|1,0,0]=3 5528 B9R0.47 CSCCCC(=O)N(C)C 527a_100102631434_100000173376 [0,2,0,0,0,0|1,0,0]=3 5529 B9R0.47 CSCCCC(=O)N(C)C 62a_100000737642_200000210301 [0,2,0,0,0,0|1,0,0]=3 5530 B9R0.47 CSCCCC(=O)N(C)C 62a_200000210301_100000737642 [0,2,0,0,0,0|1,0,0]=3 5531 B9R0.47 CSCCNC(=O)C(=O)N 240690a_100020590264_100011215815 [0,2,0,0,0,0|2,0,0]=4 5532 B9R0.47 CSCCNC(=O)C(C)C 11a_100020590264_100000210198 [0,2,0,0,0,0|1,0,0]=3 5533 B9R0.47 CSCCNC(=O)C(C)C 1626a_100020590264_100000210198 [0,2,0,0,0,0|1,0,0]=3 5534 B9R0.47 CSCCNC(=O)C(C)C 240690a_100020590264_100000210198 [0,2,0,0,0,0|1,0,0]=3 5535 B9R0.47 CSCCNC(=O)C(C)C 527a_100020590264_100000210198 [0,2,0,0,0,0|1,0,0]=3 5536 B9R0.47 CSCCNC(=O)C(C)F 11a_100020590264_100000062450 [0,2,0,0,0,0|1,0,0]=3 5537 B9R0.47 CSCCNC(=O)C(C)F 1626a_100020590264_100000062450 [0,2,0,0,0,0|1,0,0]=3 5538 B9R0.47 CSCCNC(=O)C(C)F 240690a_100020590264_100000062450 [0,2,0,0,0,0|1,0,0]=3 5539 B9R0.47 CSCCNC(=O)C(C)F 527a_100020590264_100000062450 [0,2,0,0,0,0|1,0,0]=3 5540 B9R0.47 CSCCNC(=O)C(F)F 11a_100020590264_100000210393 [0,2,0,0,0,0|2,0,0]=4 5541 B9R0.47 CSCCNC(=O)C(F)F 1626a_100020590264_100000210393 [0,2,0,0,0,0|2,0,0]=4 5542 B9R0.47 CSCCNC(=O)C(F)F 240690a_100020590264_100000210393 [0,2,0,0,0,0|2,0,0]=4 5543 B9R0.47 CSCCNC(=O)C(F)F 527a_100020590264_100000210393 [0,2,0,0,0,0|2,0,0]=4 5544 B9R0.47 CSCCNC(=O)C(O)O 240690a_100020590264_100000233687 [0,2,0,0,0,0|2,0,0]=4 5545 B9R0.47 CSCCNC(=O)N(C)C 2708a_100020590264_100102631434 [0,2,0,0,0,0|1,0,0]=3 5546 B9R0.47 CSCCNC(=O)[C@@H](C)O 240690a_100020590264_100000717761 [0,2,0,0,0,0|1,0,0]=3 5547 B9R0.47 CSCCNC(=O)[C@H](C)O 1626a_100020590264_217856618621 [0,2,0,0,0,0|1,0,0]=3 5548 B9R0.47 CSCCNC(=O)[C@H](C)O 240690a_100020590264_217856618621 [0,2,0,0,0,0|1,0,0]=3 5549 B9R0.47 CSCNCC(=O)N(C)C 2230a_100015183351_100011218213 [0,2,0,0,0,0|1,0,0]=3 5550 B9R0.47 CSCSCC(=O)C(=O)C 62a_100011218213_100011261029 [0,2,0,0,0,0|1,0,0]=3 5551 B9R0.47 CSCSCC(=O)C(=O)C 62a_100011261029_100011218213 [0,2,0,0,0,0|1,0,0]=3 5552 B9R0.47 CSCSCC(=O)C(C)C 62a_100000753385_100011218213 [0,2,0,0,0,0|1,0,0]=3 5553 B9R0.47 CSCSCC(=O)C(C)C 62a_100011218213_100000753385 [0,2,0,0,0,0|1,0,0]=3 5554 B9R0.47 CSCSCC(=O)N(C)C 62a_100000692301_100011218213 [0,2,0,0,0,0|1,0,0]=3 5555 B9R0.47 CSCSCC(=O)N(C)C 62a_100011218213_100000692301 [0,2,0,0,0,0|1,0,0]=3 5556 B9R0.47 C[C@@H](O)C(=O)CCCCF 1458a_100000717761_100000729493 [0,2,0,0,0,0|2,0,0]=4 5557 B9R0.47 C[C@@H](O)C(=O)CCCCO 1458a_100000717761_100000210776 [0,2,0,0,0,0|2,0,0]=4 5558 B9R0.47 C[C@H](O)C(=O)CCCCF 1458a_217856618621_100000729493 [0,2,0,0,0,0|2,0,0]=4 5559 B9R0.47 C[C@H](O)C(=O)CCCCO 1458a_217856618621_100000210776 [0,2,0,0,0,0|2,0,0]=4 5560 B9R0.50 CCC(COCSC)OC 34a_100011934954_100011218213 [0,2,0,0,0,0|1,0,1]=4 5561 B9R0.50 CCSCCC(OC)OC 62a_100000139399_100000210202 [0,2,0,0,0,0|0,0,2]=4 5562 B9R0.50 CCSCCC(OC)OC 62a_100000210202_100000139399 [0,2,0,0,0,0|0,0,2]=4 5563 B9R0.50 COC(CCCSC)OC 62a_100000069011_200000210301 [0,2,0,0,0,0|0,0,2]=4 5564 B9R0.50 COC(CCCSC)OC 62a_200000210301_100000069011 [0,2,0,0,0,0|0,0,2]=4 5565 B9R0.50 COC(CCCS[13CH3])OC 62a_100000069011_200025704644 [0,2,0,0,0,0|0,0,2]=4 5566 B9R0.50 COC(CCCS[13CH3])OC 62a_200025704644_100000069011 [0,2,0,0,0,0|0,0,2]=4 5567 B9R0.50 COC(CCSCF)OC 62a_100000139399_100015361967 [0,2,0,0,0,0|0,0,2]=4 5568 B9R0.50 COC(CCSCF)OC 62a_100015361967_100000139399 [0,2,0,0,0,0|0,0,2]=4 5569 B9R0.50 COC(COCSC)OC 34a_100011216393_100011218213 [0,2,0,0,0,0|0,0,2]=4 5570 B9R0.50 COC(CSCSC)OC 62a_100000751394_100011218213 [0,2,0,0,0,0|0,0,2]=4 5571 B9R0.50 COC(CSCSC)OC 62a_100011218213_100000751394 [0,2,0,0,0,0|0,0,2]=4 5572 B9R0.3 CC(C)(C)C(=O)OCS[13CH3] 62a_100000032063_200025704644 [0,2,0,0,0,0|2,0,0]=4 5573 B9R0.3 CC(C)(C)C(=O)OCS[13CH3] 62a_200025704644_100000032063 [0,2,0,0,0,0|2,0,0]=4 5574 B9R0.3 CCCCC(=O)C(C)(C)C 1458a_106744555173_100000210211 [0,2,0,0,0,0|2,0,0]=4 5575 B9R0.3 CCCCC(=O)C(C)(C)F 1458a_100000765255_100000210211 [0,2,0,0,0,0|2,0,0]=4 5576 B9R0.3 CCCCC(=O)C(C)(C)O 1458a_100000242741_100000210211 [0,2,0,0,0,0|2,0,0]=4 5577 B9R0.3 COCCC(=O)C(C)(C)C 1458a_106744555173_100000233755 [0,2,0,0,0,0|1,1,0]=4 5578 B9R0.3 COCCC(=O)C(C)(C)F 1458a_100000765255_100000233755 [0,2,0,0,0,0|1,1,0]=4 5579 B9R0.3 COCCC(=O)C(C)(C)O 1458a_100000242741_100000233755 [0,2,0,0,0,0|1,1,0]=4 5580 B9R0.3 CSCCC(=O)C(C)(C)C 1458a_106744555173_100000751147 [0,2,0,0,0,0|1,0,0]=3 5581 B9R0.3 CSCCC(=O)C(C)(C)F 1458a_100000765255_100000751147 [0,2,0,0,0,0|1,0,0]=3 5582 B9R0.3 CSCCC(=O)C(C)(C)O 1458a_100000242741_100000751147 [0,2,0,0,0,0|1,0,0]=3 5583 B9R0.3 CSCCC(=O)C(F)(F)F 1458a_100000174002_200000243211 [0,2,0,0,0,0|2,0,0]=4 5584 B9R0.3 CSCCC(=O)C(F)(F)F 1458a_100015355933_100000751147 [0,2,0,0,0,0|2,0,0]=4 5585 B9R0.3 CSCOC(=O)C(C)(C)C 62a_100000032063_200000210301 [0,2,0,0,0,0|2,0,0]=4 5586 B9R0.3 CSCOC(=O)C(C)(C)C 62a_200000210301_100000032063 [0,2,0,0,0,0|2,0,0]=4 5587 B9R0.7 C=C(C)C(=O)CCC(C)C 1458a_100000185857_100000210312 [0,2,0,0,0,0|2,0,0]=4 5588 B9R0.7 C=C(C)C(=O)CCC(C)O 1458a_100000185857_100012276601 [0,2,0,0,0,0|2,0,0]=4 5589 B9R0.7 C=C(C)CCC(=O)C(=C)C 1458a_100000185857_100000730704 [0,2,0,0,0,0|2,0,0]=4 5590 B9R0.7 C=C(C)CCC(=O)C(C)C 1458a_100000210198_100000730704 [0,2,0,0,0,0|2,0,0]=4 5591 B9R0.7 C=C(C)CCC(=O)C(C)C 1458a_200000688413_100000210206 [0,2,0,0,0,0|2,0,0]=4 5592 B9R0.7 C=C(C)CCC(=O)C(C)F 1458a_100000062450_100000730704 [0,2,0,0,0,0|2,0,0]=4 5593 B9R0.7 C=C(C)CCC(=O)N(C)C 11a_100102631434_200000688413 [0,2,0,0,0,0|2,0,0]=4 5594 B9R0.7 C=C(C)CCC(=O)N(C)C 1626a_100102631434_200000688413 [0,2,0,0,0,0|2,0,0]=4 5595 B9R0.7 C=C(C)CCC(=O)N(C)C 240690a_100102631434_200000688413 [0,2,0,0,0,0|2,0,0]=4 5596 B9R0.7 C=C(C)CCC(=O)N(C)C 527a_100102631434_200000688413 [0,2,0,0,0,0|2,0,0]=4 5597 B9R0.7 C=C(C)CCC(=O)[C@@H](C)O 1458a_100000717761_100000730704 [0,2,0,0,0,0|2,0,0]=4 5598 B9R0.7 C=C(C)CCC(=O)[C@H](C)O 1458a_217856618621_100000730704 [0,2,0,0,0,0|2,0,0]=4 5599 B9R0.7 CC(=O)CCC(=O)N(C)C 1458a_100011200748_200000210301 [0,2,0,0,0,0|2,0,0]=4 5600 B9R0.7 CC(C)C(=O)CC[S+](C)C 1458a_100009452791_100000210206 [0,2,0,0,0,0|1,0,1]=4 5601 B9R0.7 CC(C)CCC(=O)C(C)C 1458a_100000181311_100000210206 [0,2,0,0,0,0|2,0,0]=4 5602 B9R0.7 CC(C)CCC(=O)C(C)C 1458a_100000210198_100000210312 [0,2,0,0,0,0|2,0,0]=4 5603 B9R0.7 CC(C)CCC(=O)C(C)F 1458a_100000062450_100000210312 [0,2,0,0,0,0|2,0,0]=4 5604 B9R0.7 CC(C)CCC(=O)N(C)C 11a_100102631434_100000181311 [0,2,0,0,0,0|2,0,0]=4 5605 B9R0.7 CC(C)CCC(=O)N(C)C 1626a_100102631434_100000181311 [0,2,0,0,0,0|2,0,0]=4 5606 B9R0.7 CC(C)CCC(=O)N(C)C 240690a_100102631434_100000181311 [0,2,0,0,0,0|2,0,0]=4 5607 B9R0.7 CC(C)CCC(=O)N(C)C 527a_100102631434_100000181311 [0,2,0,0,0,0|2,0,0]=4 5608 B9R0.7 CC(C)CCC(=O)[C@@H](C)O 1458a_100000717761_100000210312 [0,2,0,0,0,0|2,0,0]=4 5609 B9R0.7 CC(C)CCC(=O)[C@H](C)O 1458a_217856618621_100000210312 [0,2,0,0,0,0|2,0,0]=4 5610 B9R0.7 CC(O)CCC(=O)C(C)C 1458a_100000210198_100012276601 [0,2,0,0,0,0|2,0,0]=4 5611 B9R0.7 CC(O)CCC(=O)C(C)F 1458a_100000062450_100012276601 [0,2,0,0,0,0|2,0,0]=4 5612 B9R0.7 CC(O)CCC(=O)N(C)C 1626a_100102631434_100000718519 [0,2,0,0,0,0|2,0,0]=4 5613 B9R0.7 CC(O)CCC(=O)[C@@H](C)O 1458a_100000717761_100012276601 [0,2,0,0,0,0|2,0,0]=4 5614 B9R0.7 CC(O)CCC(=O)[C@H](C)O 1458a_217856618621_100012276601 [0,2,0,0,0,0|2,0,0]=4 5615 B9R0.7 CN(C)C(=O)CCC(=O)[13CH3] 1458a_100011200748_200025704644 [0,2,0,0,0,0|2,0,0]=4 5616 B9R0.7 CN(C)C(=O)CC[S+](C)C 11a_100102631434_100009452791 [0,2,0,0,0,0|1,0,1]=4 5617 B9R0.7 CN(C)C(=O)CC[S+](C)C 1626a_100102631434_100009452791 [0,2,0,0,0,0|1,0,1]=4 5618 B9R0.7 CN(C)C(=O)CC[S+](C)C 240690a_100102631434_100009452791 [0,2,0,0,0,0|1,0,1]=4 5619 B9R0.7 CN(C)CCC(=O)N(C)C 11a_100102631434_100000689311 [0,2,0,0,0,0|2,0,0]=4 5620 B9R0.7 CN(C)CCC(=O)N(C)C 2230a_100102631434_100000737620 [0,2,0,0,0,0|2,0,0]=4 5621 B9R0.7 CN(C)CCC(=O)N(C)C 240690a_100102631434_100000689311 [0,2,0,0,0,0|2,0,0]=4 5622 B9R0.7 CN(C)CCC(=O)N(C)C 269982a_100102631434_100000737620 [0,2,0,0,0,0|2,0,0]=4 5623 B9R0.7 CN(C)CCC(=O)N(C)C 527a_100102631434_100000689311 [0,2,0,0,0,0|2,0,0]=4 5624 B9R0.13 CCCCC(OC)C(=O)N 34a_100138415774_100000748834 [0,2,0,0,0,0|1,0,1]=4 5625 B9R0.13 CN[C@@H](CCSC)C(=O)N 2230a_100000119342_200000210301 [0,2,0,0,0,0|1,0,1]=4 5626 B9R0.13 CN[C@@H](CCSC)C(=O)N 34a_100000119342_200000210301 [0,2,0,0,0,0|1,0,1]=4 5627 B9R0.13 CN[C@@H](CCSC)C(=O)O 269956a_100000743919_200000210301 [0,2,0,0,0,0|1,0,1]=4 5628 B9R0.13 CSCC[C@H](N[13CH3])C(=O)N 2230a_100000119342_200025704644 [0,2,0,0,0,0|1,0,1]=4 5629 B9R0.13 CSCC[C@H](N[13CH3])C(=O)N 34a_100000119342_200025704644 [0,2,0,0,0,0|1,0,1]=4 5630 B9R0.13 CSCC[C@H](N[13CH3])C(=O)O 269956a_100000743919_200025704644 [0,2,0,0,0,0|1,0,1]=4 5631 B9R0.42 C=C(C)C(=O)CC(=O)OC 1458a_100000185857_100000747449 [0,2,0,0,0,0|1,0,1]=4 5632 B9R0.42 C=C(C)C(=O)CC(C)CC 1458a_100000185857_100000748023 [0,2,0,0,0,0|2,0,0]=4 5633 B9R0.42 C=C(C)C(=O)CC(O)CC 1458a_100000185857_100011218378 [0,2,0,0,0,0|2,0,0]=4 5634 B9R0.42 C=C(C)C(=O)C[C@@H](C)CC 1458a_100000185857_100009816398 [0,2,0,0,0,0|2,0,0]=4 5635 B9R0.42 CCC(=O)CC(C)N(C)C 1458a_100011311895_100000210202 [0,2,0,0,0,0|2,0,0]=4 5636 B9R0.42 CCC(C)CC(=O)C(C)C 1458a_100000210198_100000748023 [0,2,0,0,0,0|2,0,0]=4 5637 B9R0.42 CCC(C)CC(=O)C(C)C 1458a_100000708755_100000210206 [0,2,0,0,0,0|2,0,0]=4 5638 B9R0.42 CCC(C)CC(=O)C(C)F 1458a_100000062450_100000748023 [0,2,0,0,0,0|2,0,0]=4 5639 B9R0.42 CCC(C)CC(=O)N(C)C 11a_100102631434_100000708755 [0,2,0,0,0,0|2,0,0]=4 5640 B9R0.42 CCC(C)CC(=O)N(C)C 1626a_100102631434_100000708755 [0,2,0,0,0,0|2,0,0]=4 5641 B9R0.42 CCC(C)CC(=O)N(C)C 240690a_100102631434_100000708755 [0,2,0,0,0,0|2,0,0]=4 5642 B9R0.42 CCC(C)CC(=O)N(C)C 527a_100102631434_100000708755 [0,2,0,0,0,0|2,0,0]=4 5643 B9R0.42 CCC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000748023 [0,2,0,0,0,0|2,0,0]=4 5644 B9R0.42 CCC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000748023 [0,2,0,0,0,0|2,0,0]=4 5645 B9R0.42 CCC(O)CC(=O)C(C)C 1458a_100000210198_100011218378 [0,2,0,0,0,0|2,0,0]=4 5646 B9R0.42 CCC(O)CC(=O)C(C)C 1458a_100011667805_100000210206 [0,2,0,0,0,0|2,0,0]=4 5647 B9R0.42 CCC(O)CC(=O)C(C)F 1458a_100000062450_100011218378 [0,2,0,0,0,0|2,0,0]=4 5648 B9R0.42 CCC(O)CC(=O)N(C)C 1626a_100102631434_100011667805 [0,2,0,0,0,0|2,0,0]=4 5649 B9R0.42 CCC(O)CC(=O)N(C)C 240690a_100102631434_100011667805 [0,2,0,0,0,0|2,0,0]=4 5650 B9R0.42 CCC(O)CC(=O)[C@@H](C)O 1458a_100000717761_100011218378 [0,2,0,0,0,0|2,0,0]=4 5651 B9R0.42 CCC(O)CC(=O)[C@H](C)O 1458a_217856618621_100011218378 [0,2,0,0,0,0|2,0,0]=4 5652 B9R0.42 CC[C@H](C)CC(=O)C(C)C 1458a_100000210198_100009816398 [0,2,0,0,0,0|2,0,0]=4 5653 B9R0.42 CC[C@H](C)CC(=O)C(C)F 1458a_100000062450_100009816398 [0,2,0,0,0,0|2,0,0]=4 5654 B9R0.42 CC[C@H](C)CC(=O)[C@@H](C)O 1458a_100000717761_100009816398 [0,2,0,0,0,0|2,0,0]=4 5655 B9R0.42 CC[C@H](C)CC(=O)[C@H](C)O 1458a_217856618621_100009816398 [0,2,0,0,0,0|2,0,0]=4 5656 B9R0.42 CNC(=O)CC(C)N(C)C 1626a_100102657272_100011311895 [0,2,0,0,0,0|2,0,0]=4 5657 B9R0.42 CNC(=O)CC(C)N(C)C 2230a_100015186911_200000210301 [0,2,0,0,0,0|2,0,0]=4 5658 B9R0.42 CNC(=O)CC(C)N(C)C 240690a_100102657272_100011311895 [0,2,0,0,0,0|2,0,0]=4 5659 B9R0.42 CNC(=O)CC(C)N(C)C 269982a_100015186911_200000210301 [0,2,0,0,0,0|2,0,0]=4 5660 B9R0.42 CNC(=O)CC(C)N(C)[13CH3] 2230a_100015186911_200025704644 [0,2,0,0,0,0|2,0,0]=4 5661 B9R0.42 CNC(=O)CC(C)N(C)[13CH3] 269982a_100015186911_200025704644 [0,2,0,0,0,0|2,0,0]=4 5662 B9R0.42 COC(=O)CC(=O)C(C)C 1458a_100000210198_100000747449 [0,2,0,0,0,0|1,0,1]=4 5663 B9R0.42 COC(=O)CC(=O)C(C)C 1458a_100000211351_100000210206 [0,2,0,0,0,0|1,0,1]=4 5664 B9R0.42 COC(=O)CC(=O)C(C)F 1458a_100000062450_100000747449 [0,2,0,0,0,0|1,0,1]=4 5665 B9R0.42 COC(=O)CC(=O)N(C)C 240690a_100102631434_100000211351 [0,2,0,0,0,0|1,0,1]=4 5666 B9R0.42 COC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747449 [0,2,0,0,0,0|1,0,1]=4 5667 B9R0.42 COC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747449 [0,2,0,0,0,0|1,0,1]=4 5668 B9R0.42 COC(=O)CC(C)C(=O)C 1458a_100000037256_200000210301 [0,2,0,0,0,0|1,0,0]=3 5669 B9R0.42 COC(=O)CC(C)C(=O)[13CH3] 1458a_100000037256_200025704644 [0,2,0,0,0,0|1,0,0]=3 5670 B9R0.42 COC(=O)CC(C)N(C)C 2230a_100102631434_100009817358 [0,2,0,0,0,0|1,0,0]=3 5671 B9R0.42 COC(=O)CC(C)N(C)C 269982a_100102631434_100009817358 [0,2,0,0,0,0|1,0,0]=3 5672 B9R0.42 COC(=O)CN(C)C(=O)C 11a_100000198492_100015343762 [0,2,0,0,0,0|2,0,0]=4 5673 B9R0.42 COC(=O)CN(C)C(=O)C 1626a_100000198492_100015343762 [0,2,0,0,0,0|2,0,0]=4 5674 B9R0.42 COC(=O)CN(C)C(=O)C 240690a_100000198492_100015343762 [0,2,0,0,0,0|2,0,0]=4 5675 B9R0.42 COC(=O)CN(C)C(=O)C 527a_100000198492_100103153847 [0,2,0,0,0,0|2,0,0]=4 5676 B9R0.42 COC(=O)CN(C)C(C)C 2230a_100000198492_100000210206 [0,2,0,0,0,0|2,0,0]=4 5677 B9R0.42 COC(=O)CN(C)C(C)C 269982a_200000211004_100000747449 [0,2,0,0,0,0|2,0,0]=4 5678 B9R0.21 CCC(=O)CCC(C)(C)C 1458a_100000210414_100000755188 [0,2,0,0,0,0|2,0,0]=4 5679 B9R0.21 CCC(=O)CCC(C)(C)C 1458a_100000757465_100000210202 [0,2,0,0,0,0|2,0,0]=4 5680 B9R0.21 CCC(=O)CCC(C)(F)F 1458a_100000030992_100000210202 [0,2,0,0,0,0|2,0,0]=4 5681 B9R0.21 CCC(=O)CCS(=O)(=O)C 1458a_100000210414_100000731031 [0,2,0,0,0,0|1,0,1]=4 5682 B9R0.21 CCC(=O)CCS(=O)(=O)C 1458a_100000737124_100000210202 [0,2,0,0,0,0|1,0,1]=4 5683 B9R0.21 CCC(=O)CC[N+](C)(C)C 1458a_100000210414_100000085578 [0,2,0,0,0,0|2,0,0]=4 5684 B9R0.21 CCC(=O)CC[Si](C)(C)C 1458a_100000210414_200000733723 [0,2,0,0,0,0|2,0,0]=4 5685 B9R0.21 CCC(=O)CC[Si](C)(C)C 1458a_100011215282_100000210202 [0,2,0,0,0,0|2,0,0]=4 5686 B9R0.21 CNC(=O)CCC(C)(C)C 11a_106832991635_100000757465 [0,2,0,0,0,0|2,0,0]=4 5687 B9R0.21 CNC(=O)CCC(C)(C)C 1626a_100102657272_100000757465 [0,2,0,0,0,0|2,0,0]=4 5688 B9R0.21 CNC(=O)CCC(C)(C)C 240690a_100102657272_100000757465 [0,2,0,0,0,0|2,0,0]=4 5689 B9R0.21 CNC(=O)CCC(C)(C)C 527a_100102657272_100000757465 [0,2,0,0,0,0|2,0,0]=4 5690 B9R0.21 CNC(=O)CCC(C)(F)F 11a_106832991635_100000030992 [0,2,0,0,0,0|2,0,0]=4 5691 B9R0.21 CNC(=O)CCC(C)(F)F 1626a_100102657272_100000030992 [0,2,0,0,0,0|2,0,0]=4 5692 B9R0.21 CNC(=O)CCC(C)(F)F 240690a_100102657272_100000030992 [0,2,0,0,0,0|2,0,0]=4 5693 B9R0.21 CNC(=O)CCC(C)(F)F 527a_100102657272_100000030992 [0,2,0,0,0,0|2,0,0]=4 5694 B9R0.21 CNC(=O)CCS(=O)(=O)C 11a_106832991635_100000737124 [0,2,0,0,0,0|1,0,1]=4 5695 B9R0.21 CNC(=O)CCS(=O)(=O)C 1626a_100102657272_100000737124 [0,2,0,0,0,0|1,0,1]=4 5696 B9R0.21 CNC(=O)CCS(=O)(=O)C 240690a_100102657272_100000737124 [0,2,0,0,0,0|1,0,1]=4 5697 B9R0.21 CNC(=O)CCS(=O)(=O)C 527a_100102657272_100000737124 [0,2,0,0,0,0|1,0,1]=4 5698 B9R0.21 CNC(=O)CC[Si](C)(C)C 1626a_100102657272_100011215282 [0,2,0,0,0,0|2,0,0]=4 5699 B9R0.21 CNC(=O)CC[Si](C)(C)C 240690a_100102657272_100011215282 [0,2,0,0,0,0|2,0,0]=4 5700 B9R0.21 CNC(=O)CC[Si](C)(C)C 527a_100102657272_100011215282 [0,2,0,0,0,0|2,0,0]=4 5701 B9R0.21 COC(=O)CNC(C)(C)C 2230a_100000715429_100000747449 [0,2,0,0,0,0|2,0,0]=4 5702 B9R0.21 COC(=O)COC(C)(C)C 34a_100015890283_100000747449 [0,2,0,0,0,0|2,0,0]=4 5703 B9R0.21 COC(=O)COC(C)(C)C 7a_100015890283_100000747449 [0,2,0,0,0,0|2,0,0]=4 5704 B9R0.21 COC(=O)CSC(C)(C)C 62a_100000211941_100000747449 [0,2,0,0,0,0|2,0,0]=4 5705 B9R0.21 COC(=O)CSC(C)(C)C 62a_100000747449_100000211941 [0,2,0,0,0,0|2,0,0]=4 5706 B9R0.26 CCC(=O)CC(CC)CC 1458a_100000210414_100011215472 [0,2,0,0,0,0|2,0,0]=4 5707 B9R0.26 CCC(=O)CC(OC)OC 1458a_100000082724_100000210202 [0,2,0,0,0,0|1,1,0]=4 5708 B9R0.26 CCC(=O)CC(OC)OC 1458a_100000210414_100000751394 [0,2,0,0,0,0|1,1,0]=4 5709 B9R0.26 CCN(CC)CC(=O)OC 2230a_100000724800_100000747449 [0,2,0,0,0,0|2,0,0]=4 5710 B9R0.26 CCN(CC)CC(=O)OC 269956a_100000042499_100000747449 [0,2,0,0,0,0|2,0,0]=4 5711 B9R0.26 CCN(CC)CC(=O)OC 269982a_100000724800_100000747449 [0,2,0,0,0,0|2,0,0]=4 5712 B9R0.26 CC[C@@H](CC(=O)OC)OC 7a_200015357724_200000210301 [0,2,0,0,0,0|0,1,0]=3 5713 B9R0.26 CC[C@@H](CC(=O)OC)O[13CH3] 7a_200015357724_200025704644 [0,2,0,0,0,0|0,1,0]=3 5714 B9R0.26 CNC(=O)CC(OC)OC 11a_106832991635_100000082724 [0,2,0,0,0,0|1,1,0]=4 5715 B9R0.26 CNC(=O)CC(OC)OC 1626a_100102657272_100000082724 [0,2,0,0,0,0|1,1,0]=4 5716 B9R0.26 CNC(=O)CC(OC)OC 240690a_100102657272_100000082724 [0,2,0,0,0,0|1,1,0]=4 5717 B9R0.26 CNC(=O)CC(OC)OC 527a_100102657272_100000082724 [0,2,0,0,0,0|1,1,0]=4 5718 B9R0.26 COC(=O)C[C@H](CCl)OC 7a_100000754131_200000210301 [0,2,0,0,0,0|0,1,0]=3 5719 B9R0.26 COC(=O)C[C@H](CCl)O[13CH3] 7a_100000754131_200025704644 [0,2,0,0,0,0|0,1,0]=3 5720 B9R0.67 COCCP(=O)(OC)OC 34a_200000043213_200000210301 [0,2,0,0,0,0|1,1,0]=4 5721 B9R0.67 COP(=O)(CCO[13CH3])OC 34a_200000043213_200025704644 [0,2,0,0,0,0|1,1,0]=4 5722 B9R0.22 CCC(=O)CC(C)(C)CC 1458a_200000763500_100000210202 [0,2,0,0,0,0|2,0,0]=4 5723 B9R0.22 CCC(=O)CC(C)(O)CC 1458a_200011219800_100000210202 [0,2,0,0,0,0|2,0,0]=4 5724 B9R0.22 CCC(C)(C)CC(=O)NC 11a_106832991635_200000763500 [0,2,0,0,0,0|2,0,0]=4 5725 B9R0.22 CCC(C)(C)CC(=O)NC 1626a_100102657272_200000763500 [0,2,0,0,0,0|2,0,0]=4 5726 B9R0.22 CCC(C)(C)CC(=O)NC 240690a_100102657272_200000763500 [0,2,0,0,0,0|2,0,0]=4 5727 B9R0.22 CCC(C)(C)CC(=O)NC 527a_100102657272_200000763500 [0,2,0,0,0,0|2,0,0]=4 5728 B9R0.22 CCC(C)(O)CC(=O)NC 240690a_100102657272_200011219800 [0,2,0,0,0,0|2,0,0]=4 5729 B9R0.22 CCC(C)(O)CC(=O)NC 527a_100102657272_200011219800 [0,2,0,0,0,0|2,0,0]=4 5730 B9R0.22 CNS(=O)(=O)CC(=O)OC 270084a_100102657272_100000736875 [0,2,0,0,0,0|2,0,0]=4 5731 B9R0.22 CNS(=O)(=O)CC(=O)OC 274078a_100102657272_100000736875 [0,2,0,0,0,0|2,0,0]=4 5732 B9R0.22 COC(=O)CC(C)(C)OC 7a_100015205050_200000210301 [0,2,0,0,0,0|0,1,0]=3 5733 B9R0.22 COC(=O)CC(C)(C)O[13CH3] 7a_100015205050_200025704644 [0,2,0,0,0,0|0,1,0]=3 5734 B7R1.1 COC1CCCC1 34a_100000210269_200000210301 [1,0,0,1,0,0|1,0,1]=4 5735 B7R1.1 COC1CCCC1 34a_100138415774_100000179811 [1,0,0,1,0,0|1,0,1]=4 5736 B7R1.1 COC1CCCC1 7a_100000210269_200000210301 [1,0,0,1,0,0|1,0,1]=4 5737 B7R1.1 COC1CCCO1 34a_100000085407_200000210301 [1,0,0,1,0,0|0,0,2]=4 5738 B7R1.1 COC1CCSC1 7a_100011232664_200000210301 [1,0,0,1,0,0|1,0,1]=4 5739 B7R1.1 [13CH3]OC1CCCC1 34a_100000210269_200025704644 [1,0,0,1,0,0|1,0,1]=4 5740 B7R1.1 [13CH3]OC1CCCC1 7a_100000210269_200025704644 [1,0,0,1,0,0|1,0,1]=4 5741 B7R1.1 [13CH3]OC1CCCO1 34a_100000085407_200025704644 [1,0,0,1,0,0|0,0,2]=4 5742 B7R1.1 [13CH3]OC1CCSC1 7a_100011232664_200025704644 [1,0,0,1,0,0|1,0,1]=4 5743 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [1,0,0,1,0,0|2,0,0]=4 5744 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [1,0,0,1,0,0|2,0,0]=4 5745 B7R1.6 CSCC1CCO1 62a_100000103362_200000210301 [1,0,0,1,0,0|1,0,1]=4 5746 B7R1.6 CSCC1CCO1 62a_200000210301_100000103362 [1,0,0,1,0,0|1,0,1]=4 5747 B7R1.6 [13CH3]SCC1CCO1 62a_100000103362_200025704644 [1,0,0,1,0,0|1,0,1]=4 5748 B7R1.6 [13CH3]SCC1CCO1 62a_200025704644_100000103362 [1,0,0,1,0,0|1,0,1]=4 5749 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [1,0,0,1,0,0|2,0,0]=4 5750 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [1,0,0,1,0,0|2,0,0]=4 5751 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [1,0,0,1,0,0|1,1,0]=4 5752 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [1,0,0,1,0,0|1,0,0]=3 5753 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [1,0,0,1,0,0|1,0,0]=3 5754 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [1,0,0,1,0,0|1,0,0]=3 5755 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [1,0,0,1,0,0|1,0,0]=3 5756 B7R1.21 CC1(CO1)CS[13CH3] 62a_100000760498_200025704644 [1,0,0,1,0,0|1,0,1]=4 5757 B7R1.21 CC1(CO1)CS[13CH3] 62a_200025704644_100000760498 [1,0,0,1,0,0|1,0,1]=4 5758 B7R1.21 CSCC1(CO1)C 62a_100000760498_200000210301 [1,0,0,1,0,0|1,0,1]=4 5759 B7R1.21 CSCC1(CO1)C 62a_200000210301_100000760498 [1,0,0,1,0,0|1,0,1]=4 5760 B7R1.22 CC(O[13CH3])C1CC1 34a_100000744524_200025704644 [1,0,0,1,0,0|1,0,1]=4 5761 B7R1.22 CC(O[13CH3])C1CC1 7a_100000744524_200025704644 [1,0,0,1,0,0|1,0,1]=4 5762 B7R1.22 CCC(=O)C1CC1 1458a_100000210395_100000210202 [1,0,0,1,0,0|1,0,0]=3 5763 B7R1.22 CCC(=O)C1CO1 1458a_100000701028_100000210202 [1,0,0,1,0,0|1,1,0]=4 5764 B7R1.22 CNC(=O)C1CC1 11a_106832991635_100000210395 [1,0,0,1,0,0|1,0,0]=3 5765 B7R1.22 CNC(=O)C1CC1 1626a_100102657272_100000210395 [1,0,0,1,0,0|1,0,0]=3 5766 B7R1.22 CNC(=O)C1CC1 240690a_100102657272_100000210395 [1,0,0,1,0,0|1,0,0]=3 5767 B7R1.22 CNC(=O)C1CC1 527a_100102657272_100000210395 [1,0,0,1,0,0|1,0,0]=3 5768 B7R1.22 CNC(=O)C1CO1 11a_106832991635_100000701028 [1,0,0,1,0,0|1,1,0]=4 5769 B7R1.22 CNC(=O)C1CO1 1626a_100102657272_100000701028 [1,0,0,1,0,0|1,1,0]=4 5770 B7R1.22 CNC(=O)C1CO1 240690a_100102657272_100000701028 [1,0,0,1,0,0|1,1,0]=4 5771 B7R1.22 CNC(=O)C1CO1 527a_100102657272_100000701028 [1,0,0,1,0,0|1,1,0]=4 5772 B7R1.22 COC(C)C1CC1 34a_100000744524_200000210301 [1,0,0,1,0,0|1,0,1]=4 5773 B7R1.22 COC(C)C1CC1 7a_100000744524_200000210301 [1,0,0,1,0,0|1,0,1]=4 5774 B7R1.22 O=C(CF)C1CC1 1458a_100000210395_100015361967 [1,0,0,1,0,0|2,0,0]=4 5775 B7R1.25 CC1(CCC1)O[13CH3] 34a_100000759064_200025704644 [1,0,0,1,0,0|1,0,1]=4 5776 B7R1.25 CC1(CCC1)O[13CH3] 7a_100000759064_200025704644 [1,0,0,1,0,0|1,0,1]=4 5777 B7R1.25 CC1(CSC1)O[13CH3] 7a_100016018533_200025704644 [1,0,0,1,0,0|1,0,1]=4 5778 B7R1.25 COC1(CCC1)C 34a_100000759064_200000210301 [1,0,0,1,0,0|1,0,1]=4 5779 B7R1.25 COC1(CCC1)C 7a_100000759064_200000210301 [1,0,0,1,0,0|1,0,1]=4 5780 B7R1.25 COC1(CSC1)C 7a_100016018533_200000210301 [1,0,0,1,0,0|1,0,1]=4 5781 B7R1.7 CSCCC1CC1 62a_100000764125_200000210301 [1,0,0,1,0,0|1,0,1]=4 5782 B7R1.7 CSCCC1CC1 62a_200000210301_100000764125 [1,0,0,1,0,0|1,0,1]=4 5783 B7R1.7 CSCCC1CO1 62a_100000732470_200000210301 [1,0,0,1,0,0|0,0,2]=4 5784 B7R1.7 CSCCC1CO1 62a_200000210301_100000732470 [1,0,0,1,0,0|0,0,2]=4 5785 B7R1.7 [13CH3]SCCC1CC1 62a_100000764125_200025704644 [1,0,0,1,0,0|1,0,1]=4 5786 B7R1.7 [13CH3]SCCC1CC1 62a_200025704644_100000764125 [1,0,0,1,0,0|1,0,1]=4 5787 B7R1.7 [13CH3]SCCC1CO1 62a_100000732470_200025704644 [1,0,0,1,0,0|0,0,2]=4 5788 B7R1.7 [13CH3]SCCC1CO1 62a_200025704644_100000732470 [1,0,0,1,0,0|0,0,2]=4 5789 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [1,0,0,1,0,0|1,0,0]=3 5790 B7R1.12 CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200000210301 [1,0,0,1,0,0|2,0,0]=4 5791 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [1,0,0,1,0,0|1,0,0]=3 5792 B7R1.12 [13CH3]C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200025704644 [1,0,0,1,0,0|2,0,0]=4 5793 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [1,0,0,1,0,0|1,0,0]=3 5794 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [1,0,0,1,0,0|1,0,0]=3 5795 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [1,0,0,1,0,0|2,0,0]=4 5796 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [1,0,0,1,0,0|0,1,0]=3 5797 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [1,0,0,1,0,0|0,1,0]=3 5798 B7R1.18 CC(=O)N1CCC1 11a_100000754969_100015343762 [1,0,0,1,0,0|2,0,0]=4 5799 B7R1.18 CC(=O)N1CCC1 240690a_100000754969_100015343762 [1,0,0,1,0,0|2,0,0]=4 5800 B7R1.18 CC(=O)N1CCC1 527a_100000754969_100103153847 [1,0,0,1,0,0|2,0,0]=4 5801 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [1,0,0,1,0,0|1,0,0]=3 5802 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [1,0,0,1,0,0|2,0,0]=4 5803 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [1,0,0,1,0,0|0,1,0]=3 5804 B7R1.20 CC(=O)CC1CC1 1458a_100000070787_100000742324 [1,0,0,1,0,0|1,0,0]=3 5805 B7R1.20 CC(=O)CC1CC1 1458a_100000738066_200000210301 [1,0,0,1,0,0|1,0,0]=3 5806 B7R1.20 CC(=O)CC1CO1 1458a_100000070787_100011216344 [1,0,0,1,0,0|0,1,0]=3 5807 B7R1.20 CC(=O)CC1CS1 1458a_100000070787_100000031435 [1,0,0,1,0,0|0,0,0]=2 5808 B7R1.20 CC(=O)C[C@@H]1CO1 1458a_100000070787_100000745022 [1,0,0,1,0,0|0,1,0]=3 5809 B7R1.20 CC(=O)NC1CC1 1626a_100000212008_100015343762 [1,0,0,1,0,0|2,0,0]=4 5810 B7R1.20 CC(=O)NC1CC1 240690a_100000212008_100015343762 [1,0,0,1,0,0|2,0,0]=4 5811 B7R1.20 CC(=O)NC1CC1 527a_100000212008_100103153847 [1,0,0,1,0,0|2,0,0]=4 5812 B7R1.20 CN(C)CC1CS1 269982a_100102631434_100000031435 [1,0,0,1,0,0|2,0,0]=4 5813 B7R1.20 [13CH3]C(=O)CC1CC1 1458a_100000738066_200025704644 [1,0,0,1,0,0|1,0,0]=3 5814 B9R1.2 CCN1CCOC(=O)C1 2230a_100000131268_100000210202 [0,1,0,1,0,0|2,0,0]=4 5815 B9R1.2 CNC1CCNC(=O)C1 2230a_100016994916_200000210301 [0,1,0,1,0,0|2,0,0]=4 5816 B9R1.2 CNC1CCNC(=O)C1 34a_100016994916_200000210301 [0,1,0,1,0,0|2,0,0]=4 5817 B9R1.2 COC1CCCC(=O)C1 34a_100012613340_200000210301 [0,1,0,1,0,0|1,1,0]=4 5818 B9R1.2 CO[C@@H]1CCNC(=O)C1 34a_100015189427_200000210301 [0,1,0,1,0,0|1,1,0]=4 5819 B9R1.2 [13CH3]NC1CCNC(=O)C1 2230a_100016994916_200025704644 [0,1,0,1,0,0|2,0,0]=4 5820 B9R1.2 [13CH3]NC1CCNC(=O)C1 34a_100016994916_200025704644 [0,1,0,1,0,0|2,0,0]=4 5821 B9R1.2 [13CH3]OC1CCCC(=O)C1 34a_100012613340_200025704644 [0,1,0,1,0,0|1,1,0]=4 5822 B9R1.2 [13CH3]O[C@@H]1CCNC(=O)C1 34a_100015189427_200025704644 [0,1,0,1,0,0|1,1,0]=4 5823 B9R1.7 CCCN1CNC(=O)C1 2230a_200000708111_100000210303 [0,1,0,1,0,0|2,0,0]=4 5824 B9R1.7 CCNC1CNC(=O)C1 2230a_100000697751_100000210202 [0,1,0,1,0,0|2,0,0]=4 5825 B9R1.7 CCOC1CCC(=O)C1 34a_100012614533_100000210202 [0,1,0,1,0,0|1,1,0]=4 5826 B9R1.7 CCOC1CNC(=O)C1 34a_100000690082_100000210202 [0,1,0,1,0,0|1,1,0]=4 5827 B9R1.7 CCOC1COC(=O)O1 34a_100121572206_100000032252 [0,1,0,1,0,0|1,1,0]=4 5828 B9R1.7 CCSC1COC(=O)O1 62a_100000210202_100000032252 [0,1,0,1,0,0|1,0,0]=3 5829 B9R1.7 CNCC1=CC(=O)OC1 34a_100102657272_100000716558 [0,1,0,1,0,0|1,0,1]=4 5830 B9R1.7 CNCC1CNC(=O)C1 2230a_100016993742_200000210301 [0,1,0,1,0,0|2,0,0]=4 5831 B9R1.7 CNCC1CNC(=O)C1 34a_100016993742_200000210301 [0,1,0,1,0,0|2,0,0]=4 5832 B9R1.7 CNCC1CNC(=O)O1 2230a_106832991635_100000181169 [0,1,0,1,0,0|2,0,0]=4 5833 B9R1.7 CNCC1CNC(=O)O1 34a_100102657272_100000181169 [0,1,0,1,0,0|2,0,0]=4 5834 B9R1.7 CNCC1CNC(=O)O1 7a_106832991635_100000181169 [0,1,0,1,0,0|2,0,0]=4 5835 B9R1.7 CNCC1COC(=O)O1 34a_100102657272_100000073702 [0,1,0,1,0,0|1,0,0]=3 5836 B9R1.7 CNC[C@@H]1CCC(=O)N1 2230a_106832991635_100015189358 [0,1,0,1,0,0|2,0,0]=4 5837 B9R1.7 CNC[C@@H]1CCC(=O)N1 7a_106832991635_100015189358 [0,1,0,1,0,0|2,0,0]=4 5838 B9R1.7 CNC[C@H]1CCC(=O)N1 2230a_100015423886_200000210301 [0,1,0,1,0,0|2,0,0]=4 5839 B9R1.7 CNC[C@H]1CCC(=O)N1 34a_100015423886_200000210301 [0,1,0,1,0,0|2,0,0]=4 5840 B9R1.7 CNC[C@H]1COC(=O)N1 2230a_106832991635_100015307671 [0,1,0,1,0,0|1,0,0]=3 5841 B9R1.7 CNC[C@H]1COC(=O)N1 34a_100102657272_100015307671 [0,1,0,1,0,0|1,0,0]=3 5842 B9R1.7 CNC[C@H]1COC(=O)N1 7a_106832991635_100015307671 [0,1,0,1,0,0|1,0,0]=3 5843 B9R1.7 COCC1=CC(=O)OC1 34a_100138415774_100000716558 [0,1,0,1,0,0|0,1,1]=4 5844 B9R1.7 COCC1CCC(=O)N1 34a_100000737831_200000210301 [0,1,0,1,0,0|1,1,0]=4 5845 B9R1.7 COCC1CNC(=O)C1 34a_100016041077_200000210301 [0,1,0,1,0,0|1,1,0]=4 5846 B9R1.7 COCC1CNC(=O)O1 34a_100011315639_200000210301 [0,1,0,1,0,0|1,1,0]=4 5847 B9R1.7 COCC1CNC(=O)O1 34a_100138415774_100000181169 [0,1,0,1,0,0|1,1,0]=4 5848 B9R1.7 COCC1COC(=O)O1 34a_100138415774_100000073702 [0,1,0,1,0,0|0,1,0]=3 5849 B9R1.7 COCN1CNC(=O)C1 2230a_200000708111_100000766300 [0,1,0,1,0,0|1,1,0]=4 5850 B9R1.7 COC[C@H]1COC(=O)N1 34a_100138415774_100015307671 [0,1,0,1,0,0|0,1,0]=3 5851 B9R1.7 CSCC1=CC(=O)OC1 62a_100000716558_200000210301 [0,1,0,1,0,0|0,0,1]=3 5852 B9R1.7 CSCC1=CC(=O)OC1 62a_200000210301_100000716558 [0,1,0,1,0,0|0,0,1]=3 5853 B9R1.7 CSCC1CNC(=O)O1 62a_100000181169_200000210301 [0,1,0,1,0,0|1,0,0]=3 5854 B9R1.7 CSCC1CNC(=O)O1 62a_200000210301_100000181169 [0,1,0,1,0,0|1,0,0]=3 5855 B9R1.7 CSCC1COC(=O)O1 62a_100000073702_200000210301 [0,1,0,1,0,0|0,0,0]=2 5856 B9R1.7 CSCC1COC(=O)O1 62a_200000210301_100000073702 [0,1,0,1,0,0|0,0,0]=2 5857 B9R1.7 CSCN1CNC(=O)C1 2230a_200000708111_100011218213 [0,1,0,1,0,0|1,0,0]=3 5858 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_100015189358_200000210301 [0,1,0,1,0,0|1,0,0]=3 5859 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_200000210301_100015189358 [0,1,0,1,0,0|1,0,0]=3 5860 B9R1.7 CSC[C@H]1COC(=O)N1 62a_100015307671_200000210301 [0,1,0,1,0,0|0,0,0]=2 5861 B9R1.7 CSC[C@H]1COC(=O)N1 62a_200000210301_100015307671 [0,1,0,1,0,0|0,0,0]=2 5862 B9R1.7 O=C1CC(CN1)OCF 34a_100000690082_100015361967 [0,1,0,1,0,0|1,1,0]=4 5863 B9R1.7 O=C1CCC(C1)OCF 34a_100012614533_100015361967 [0,1,0,1,0,0|1,1,0]=4 5864 B9R1.7 O=C1OCC(O1)SCF 62a_100015361967_100000032252 [0,1,0,1,0,0|1,0,0]=3 5865 B9R1.7 [13CH3]NCC1CNC(=O)C1 2230a_100016993742_200025704644 [0,1,0,1,0,0|2,0,0]=4 5866 B9R1.7 [13CH3]NCC1CNC(=O)C1 34a_100016993742_200025704644 [0,1,0,1,0,0|2,0,0]=4 5867 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 2230a_100015423886_200025704644 [0,1,0,1,0,0|2,0,0]=4 5868 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 34a_100015423886_200025704644 [0,1,0,1,0,0|2,0,0]=4 5869 B9R1.7 [13CH3]OCC1CCC(=O)N1 34a_100000737831_200025704644 [0,1,0,1,0,0|1,1,0]=4 5870 B9R1.7 [13CH3]OCC1CNC(=O)C1 34a_100016041077_200025704644 [0,1,0,1,0,0|1,1,0]=4 5871 B9R1.7 [13CH3]OCC1CNC(=O)O1 34a_100011315639_200025704644 [0,1,0,1,0,0|1,1,0]=4 5872 B9R1.7 [13CH3]SCC1=CC(=O)OC1 62a_100000716558_200025704644 [0,1,0,1,0,0|0,0,1]=3 5873 B9R1.7 [13CH3]SCC1=CC(=O)OC1 62a_200025704644_100000716558 [0,1,0,1,0,0|0,0,1]=3 5874 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_100000181169_200025704644 [0,1,0,1,0,0|1,0,0]=3 5875 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_200025704644_100000181169 [0,1,0,1,0,0|1,0,0]=3 5876 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_100000073702_200025704644 [0,1,0,1,0,0|0,0,0]=2 5877 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_200025704644_100000073702 [0,1,0,1,0,0|0,0,0]=2 5878 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_100015189358_200025704644 [0,1,0,1,0,0|1,0,0]=3 5879 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_200025704644_100015189358 [0,1,0,1,0,0|1,0,0]=3 5880 B9R1.7 [13CH3]SC[C@H]1COC(=O)N1 62a_100015307671_200025704644 [0,1,0,1,0,0|0,0,0]=2 5881 B9R1.7 [13CH3]SC[C@H]1COC(=O)N1 62a_200025704644_100015307671 [0,1,0,1,0,0|0,0,0]=2 5882 B9R1.8 CCOC1CCSCC1 34a_100000731022_100000210202 [0,1,0,1,0,0|1,0,1]=4 5883 B9R1.8 CCOC1CCSCC1 34a_100121572206_100000069128 [0,1,0,1,0,0|1,0,1]=4 5884 B9R1.8 CCOC1CCSCC1 7a_100000731022_100000210202 [0,1,0,1,0,0|1,0,1]=4 5885 B9R1.8 COCC1CCSCC1 34a_100000070558_200000210301 [0,1,0,1,0,0|1,0,1]=4 5886 B9R1.8 COCC1CCSCC1 7a_100000070558_200000210301 [0,1,0,1,0,0|1,0,1]=4 5887 B9R1.8 COCN1CCSCC1 2230a_100000737611_100000766300 [0,1,0,1,0,0|2,0,0]=4 5888 B9R1.8 COCN1CCSCC1 269982a_100000737611_100000766300 [0,1,0,1,0,0|2,0,0]=4 5889 B9R1.8 FCOC1CCSCC1 34a_100000731022_100015361967 [0,1,0,1,0,0|1,0,1]=4 5890 B9R1.8 FCOC1CCSCC1 7a_100000731022_100015361967 [0,1,0,1,0,0|1,0,1]=4 5891 B9R1.8 [13CH3]OCC1CCSCC1 34a_100000070558_200025704644 [0,1,0,1,0,0|1,0,1]=4 5892 B9R1.8 [13CH3]OCC1CCSCC1 7a_100000070558_200025704644 [0,1,0,1,0,0|1,0,1]=4 5893 B9R1.12 CSCCC1OCCO1 62a_200000210301_100000740749 [0,1,0,1,0,0|0,0,2]=4 5894 B9R1.12 [13CH3]SCCC1OCCO1 62a_200025704644_100000740749 [0,1,0,1,0,0|0,0,2]=4 5895 B9R1.15 CNC1CCCCC1=O 34a_100102657272_100000754470 [0,1,0,1,0,0|2,0,0]=4 5896 B9R1.15 CNC1CCCCC1=O 7a_106832991635_100000204591 [0,1,0,1,0,0|2,0,0]=4 5897 B9R1.15 CNC1COCCC1=O 34a_100102657272_100012180262 [0,1,0,1,0,0|1,1,0]=4 5898 B9R1.15 CNC1COCCC1=O 7a_106832991635_100012180262 [0,1,0,1,0,0|1,1,0]=4 5899 B9R1.15 COC1CCCCC1=O 34a_100011214950_200000210301 [0,1,0,1,0,0|1,0,0]=3 5900 B9R1.15 COC1CCCCC1=O 34a_100138415774_100000754470 [0,1,0,1,0,0|1,0,0]=3 5901 B9R1.15 COC1CCCNC1=O 34a_100000073722_200000210301 [0,1,0,1,0,0|2,0,0]=4 5902 B9R1.15 COC1CCCNC1=O 34a_100138415774_100000687798 [0,1,0,1,0,0|2,0,0]=4 5903 B9R1.15 COC1COCCC1=O 34a_100138415774_100012180262 [0,1,0,1,0,0|0,1,0]=3 5904 B9R1.15 CSC1CCCCC1=O 62a_100000204591_200000210301 [0,1,0,1,0,0|1,1,0]=4 5905 B9R1.15 CSC1CCCCC1=O 62a_200000210301_100000204591 [0,1,0,1,0,0|1,1,0]=4 5906 B9R1.15 CSC1COCCC1=O 62a_100012180262_200000210301 [0,1,0,1,0,0|0,2,0]=4 5907 B9R1.15 CSC1COCCC1=O 62a_200000210301_100012180262 [0,1,0,1,0,0|0,2,0]=4 5908 B9R1.15 [13CH3]OC1CCCCC1=O 34a_100011214950_200025704644 [0,1,0,1,0,0|1,0,0]=3 5909 B9R1.15 [13CH3]OC1CCCNC1=O 34a_100000073722_200025704644 [0,1,0,1,0,0|2,0,0]=4 5910 B9R1.15 [13CH3]SC1CCCCC1=O 62a_100000204591_200025704644 [0,1,0,1,0,0|1,1,0]=4 5911 B9R1.15 [13CH3]SC1CCCCC1=O 62a_200025704644_100000204591 [0,1,0,1,0,0|1,1,0]=4 5912 B9R1.15 [13CH3]SC1COCCC1=O 62a_100012180262_200025704644 [0,1,0,1,0,0|0,2,0]=4 5913 B9R1.15 [13CH3]SC1COCCC1=O 62a_200025704644_100012180262 [0,1,0,1,0,0|0,2,0]=4 5914 B9R1.33 CCNC1CCOC1=O 2230a_100015525214_100000211211 [0,1,0,1,0,0|2,0,0]=4 5915 B9R1.33 CCN[C@@H]1CONC1=O 2230a_100000765999_100000210202 [0,1,0,1,0,0|2,0,0]=4 5916 B9R1.33 CCN[C@@H]1CONC1=O 34a_100000765999_100000210202 [0,1,0,1,0,0|2,0,0]=4 5917 B9R1.33 CCOC1CCOC1=O 34a_100121572206_100000211211 [0,1,0,1,0,0|2,0,0]=4 5918 B9R1.33 CCSC1CCOC1=O 62a_100000210202_100000211211 [0,1,0,1,0,0|2,0,0]=4 5919 B9R1.33 CCSC1CCOC1=O 62a_100000211211_100000210202 [0,1,0,1,0,0|2,0,0]=4 5920 B9R1.33 COCC1CCNC1=O 34a_100000133458_200000210301 [0,1,0,1,0,0|1,1,0]=4 5921 B9R1.33 CSCN1CCCC1=O 62a_100000026320_200000210301 [0,1,0,1,0,0|2,0,0]=4 5922 B9R1.33 CSCN1CCCC1=O 62a_200000210301_100000026320 [0,1,0,1,0,0|2,0,0]=4 5923 B9R1.33 [13CH3]OCC1CCNC1=O 34a_100000133458_200025704644 [0,1,0,1,0,0|1,1,0]=4 5924 B9R1.33 [13CH3]SCN1CCCC1=O 62a_100000026320_200025704644 [0,1,0,1,0,0|2,0,0]=4 5925 B9R1.33 [13CH3]SCN1CCCC1=O 62a_200025704644_100000026320 [0,1,0,1,0,0|2,0,0]=4 5926 B9R1.49 CN1CCNC(=O)CC1 2230a_100000698595_200000210301 [0,1,0,1,0,0|2,0,0]=4 5927 B9R1.49 CN1CCNC(=O)CC1 269982a_100000698595_200000210301 [0,1,0,1,0,0|2,0,0]=4 5928 B9R1.49 [13CH3]N1CCNC(=O)CC1 2230a_100000698595_200025704644 [0,1,0,1,0,0|2,0,0]=4 5929 B9R1.49 [13CH3]N1CCNC(=O)CC1 269982a_100000698595_200025704644 [0,1,0,1,0,0|2,0,0]=4 5930 B9R1.58 COC1CN(C1)CSC 269982a_100000755009_100011218213 [0,1,0,1,0,0|1,0,1]=4 5931 B9R1.58 COCN1CC(C1)SC 269982a_100016990038_100000766300 [0,1,0,1,0,0|2,0,0]=4 5932 B9R1.73 CC#CC(=O)C1CCC1 1458a_100000763181_100000749161 [0,1,0,1,0,0|2,0,0]=4 5933 B9R1.73 CC#CC(=O)C1COC1 1458a_100000763181_100000687716 [0,1,0,1,0,0|1,1,0]=4 5934 B9R1.73 CC=CC(=O)C1CCC1 1458a_100000210699_100000749161 [0,1,0,1,0,0|2,0,0]=4 5935 B9R1.73 CC=CC(=O)C1COC1 1458a_100000210699_100000687716 [0,1,0,1,0,0|1,1,0]=4 5936 B9R1.73 CCCC(=O)C1CCC1 1458a_100000209988_100000210303 [0,1,0,1,0,0|2,0,0]=4 5937 B9R1.73 CCCC(=O)C1CCC1 1458a_100000211992_100000749161 [0,1,0,1,0,0|2,0,0]=4 5938 B9R1.73 CCCC(=O)C1COC1 1458a_100000211992_100000687716 [0,1,0,1,0,0|1,1,0]=4 5939 B9R1.73 CCCC(=O)C1COC1 1458a_100000758290_100000210303 [0,1,0,1,0,0|1,1,0]=4 5940 B9R1.73 CCNC(=O)C1CCC1 11a_100015525214_100000209988 [0,1,0,1,0,0|2,0,0]=4 5941 B9R1.73 CCNC(=O)C1CCC1 240690a_100015525214_100000209988 [0,1,0,1,0,0|2,0,0]=4 5942 B9R1.73 CCNC(=O)C1CCC1 527a_100015525214_100000209988 [0,1,0,1,0,0|2,0,0]=4 5943 B9R1.73 CCNC(=O)C1COC1 11a_100015525214_100000758290 [0,1,0,1,0,0|1,1,0]=4 5944 B9R1.73 CCNC(=O)C1COC1 240690a_100015525214_100000758290 [0,1,0,1,0,0|1,1,0]=4 5945 B9R1.73 CCNC(=O)C1COC1 527a_100015525214_100000758290 [0,1,0,1,0,0|1,1,0]=4 5946 B9R1.73 CNCC(=O)C1CCC1 2230a_106832991635_100000686122 [0,1,0,1,0,0|2,0,0]=4 5947 B9R1.73 CNCC(=O)C1CCC1 34a_100102657272_100000686122 [0,1,0,1,0,0|2,0,0]=4 5948 B9R1.73 CNCC(=O)C1CCC1 7a_106832991635_100000686122 [0,1,0,1,0,0|2,0,0]=4 5949 B9R1.73 CNNC(=O)C1CCC1 22a_100016993582_100000209988 [0,1,0,1,0,0|2,0,0]=4 5950 B9R1.73 CNNC(=O)C1COC1 22a_100016993582_100000758290 [0,1,0,1,0,0|1,1,0]=4 5951 B9R1.73 COCC(=O)C1CCC1 1458a_100000210968_100000749161 [0,1,0,1,0,0|1,0,0]=3 5952 B9R1.73 COCC(=O)C1CCC1 34a_100138415774_100000686122 [0,1,0,1,0,0|1,0,0]=3 5953 B9R1.73 COCC(=O)C1COC1 1458a_100000210968_100000687716 [0,1,0,1,0,0|0,1,0]=3 5954 B9R1.73 COCC(=O)N1CCC1 11a_100000754969_100000210968 [0,1,0,1,0,0|2,0,0]=4 5955 B9R1.73 COCC(=O)N1CCC1 240690a_100000754969_100000210968 [0,1,0,1,0,0|2,0,0]=4 5956 B9R1.73 COCC(=O)N1CCC1 34a_100138415774_100000185095 [0,1,0,1,0,0|2,0,0]=4 5957 B9R1.73 COCC(=O)N1CCC1 527a_100000754969_100000210968 [0,1,0,1,0,0|2,0,0]=4 5958 B9R1.73 CSCC(=O)C1CCC1 1458a_100000184570_100000749161 [0,1,0,1,0,0|1,1,0]=4 5959 B9R1.73 CSCC(=O)C1CCC1 62a_100000686122_200000210301 [0,1,0,1,0,0|1,1,0]=4 5960 B9R1.73 CSCC(=O)C1CCC1 62a_200000210301_100000686122 [0,1,0,1,0,0|1,1,0]=4 5961 B9R1.73 CSCC(=O)C1COC1 1458a_100000184570_100000687716 [0,1,0,1,0,0|0,2,0]=4 5962 B9R1.73 O=C(CCF)C1CCC1 1458a_100000209988_100011217306 [0,1,0,1,0,0|2,0,0]=4 5963 B9R1.73 O=C(CCF)C1COC1 1458a_100000758290_100011217306 [0,1,0,1,0,0|1,1,0]=4 5964 B9R1.73 O=C(CCO)C1CCC1 1458a_100000209988_100000211926 [0,1,0,1,0,0|2,0,0]=4 5965 B9R1.73 O=C(CCO)C1CCC1 1458a_100011216618_100000749161 [0,1,0,1,0,0|2,0,0]=4 5966 B9R1.73 O=C(CCO)C1COC1 1458a_100000758290_100000211926 [0,1,0,1,0,0|1,1,0]=4 5967 B9R1.73 O=C(CCO)C1COC1 1458a_100011216618_100000687716 [0,1,0,1,0,0|1,1,0]=4 5968 B9R1.73 [13CH3]SCC(=O)C1CCC1 62a_100000686122_200025704644 [0,1,0,1,0,0|1,1,0]=4 5969 B9R1.73 [13CH3]SCC(=O)C1CCC1 62a_200025704644_100000686122 [0,1,0,1,0,0|1,1,0]=4 5970 B9R1.75 C#CCC(=O)CC1CS1 1458a_100011220946_100000031435 [0,1,0,1,0,0|1,0,1]=4 5971 B9R1.75 C=CCC(=O)CC1CS1 1458a_100000210193_100000031435 [0,1,0,1,0,0|1,0,1]=4 5972 B9R1.75 CC#CC(=O)CC1CC1 1458a_100000763181_100000742324 [0,1,0,1,0,0|2,0,0]=4 5973 B9R1.75 CC#CC(=O)CC1CO1 1458a_100000763181_100011216344 [0,1,0,1,0,0|1,1,0]=4 5974 B9R1.75 CC#CC(=O)CC1CS1 1458a_100000763181_100000031435 [0,1,0,1,0,0|1,0,0]=3 5975 B9R1.75 CC#CC(=O)C[C@@H]1CO1 1458a_100000763181_100000745022 [0,1,0,1,0,0|1,1,0]=4 5976 B9R1.75 CC=CC(=O)CC1CC1 1458a_100000210699_100000742324 [0,1,0,1,0,0|2,0,0]=4 5977 B9R1.75 CC=CC(=O)CC1CO1 1458a_100000210699_100011216344 [0,1,0,1,0,0|1,1,0]=4 5978 B9R1.75 CC=CC(=O)CC1CS1 1458a_100000210699_100000031435 [0,1,0,1,0,0|1,0,0]=3 5979 B9R1.75 CC=CC(=O)C[C@@H]1CO1 1458a_100000210699_100000745022 [0,1,0,1,0,0|1,1,0]=4 5980 B9R1.75 CCCC(=O)CC1CC1 1458a_100000211992_100000742324 [0,1,0,1,0,0|2,0,0]=4 5981 B9R1.75 CCCC(=O)CC1CC1 1458a_100000738066_100000210303 [0,1,0,1,0,0|2,0,0]=4 5982 B9R1.75 CCCC(=O)CC1CO1 1458a_100000211992_100011216344 [0,1,0,1,0,0|1,1,0]=4 5983 B9R1.75 CCCC(=O)CC1CS1 1458a_100000211992_100000031435 [0,1,0,1,0,0|1,0,0]=3 5984 B9R1.75 CCCC(=O)C[C@@H]1CO1 1458a_100000211992_100000745022 [0,1,0,1,0,0|1,1,0]=4 5985 B9R1.75 CCNC(=O)CC1CC1 11a_100015525214_100000738066 [0,1,0,1,0,0|2,0,0]=4 5986 B9R1.75 CCNC(=O)CC1CC1 240690a_100015525214_100000738066 [0,1,0,1,0,0|2,0,0]=4 5987 B9R1.75 CCNC(=O)CC1CC1 527a_100015525214_100000738066 [0,1,0,1,0,0|2,0,0]=4 5988 B9R1.75 CNNC(=O)CC1CC1 22a_100016993582_100000738066 [0,1,0,1,0,0|2,0,0]=4 5989 B9R1.75 COCC(=O)CC1CC1 1458a_100000210968_100000742324 [0,1,0,1,0,0|1,0,0]=3 5990 B9R1.75 COCC(=O)CC1CO1 1458a_100000210968_100011216344 [0,1,0,1,0,0|0,1,0]=3 5991 B9R1.75 COCC(=O)CC1CS1 1458a_100000210968_100000031435 [0,1,0,1,0,0|0,0,0]=2 5992 B9R1.75 COCC(=O)C[C@@H]1CO1 1458a_100000210968_100000745022 [0,1,0,1,0,0|0,1,0]=3 5993 B9R1.75 COCC(=O)NC1CC1 1626a_100000212008_100000210968 [0,1,0,1,0,0|2,0,0]=4 5994 B9R1.75 COCC(=O)NC1CC1 240690a_100000212008_100000210968 [0,1,0,1,0,0|2,0,0]=4 5995 B9R1.75 COCC(=O)NC1CC1 34a_100138415774_100000182950 [0,1,0,1,0,0|2,0,0]=4 5996 B9R1.75 COCC(=O)NC1CC1 527a_100000212008_100000210968 [0,1,0,1,0,0|2,0,0]=4 5997 B9R1.75 CSCC(=O)CC1CC1 1458a_100000184570_100000742324 [0,1,0,1,0,0|1,1,0]=4 5998 B9R1.75 CSCC(=O)CC1CO1 1458a_100000184570_100011216344 [0,1,0,1,0,0|0,2,0]=4 5999 B9R1.75 CSCC(=O)CC1CS1 1458a_100000184570_100000031435 [0,1,0,1,0,0|0,1,0]=3 6000 B9R1.75 CSCC(=O)C[C@@H]1CO1 1458a_100000184570_100000745022 [0,1,0,1,0,0|0,2,0]=4 6001 B9R1.75 N#CCC(=O)CC1CS1 1458a_100051588842_100000031435 [0,1,0,1,0,0|1,0,1]=4 6002 B9R1.75 O=C(C=CBr)CC1CS1 1458a_100016273825_100000031435 [0,1,0,1,0,0|1,0,1]=4 6003 B9R1.75 O=C(C=CCl)CC1CS1 1458a_200016279998_100000031435 [0,1,0,1,0,0|1,0,1]=4 6004 B9R1.75 O=C(C=CI)CC1CS1 1458a_100016256311_100000031435 [0,1,0,1,0,0|1,0,1]=4 6005 B9R1.75 O=C(CCF)CC1CC1 1458a_100000738066_100011217306 [0,1,0,1,0,0|2,0,0]=4 6006 B9R1.75 O=C(CCO)CC1CC1 1458a_100000738066_100000211926 [0,1,0,1,0,0|2,0,0]=4 6007 B9R1.75 O=C(CCO)CC1CC1 1458a_100011216618_100000742324 [0,1,0,1,0,0|2,0,0]=4 6008 B9R1.75 O=C(CCO)CC1CO1 1458a_100011216618_100011216344 [0,1,0,1,0,0|1,1,0]=4 6009 B9R1.75 O=C(CCO)CC1CS1 1458a_100011216618_100000031435 [0,1,0,1,0,0|1,0,0]=3 6010 B9R1.75 O=C(CCO)C[C@@H]1CO1 1458a_100011216618_100000745022 [0,1,0,1,0,0|1,1,0]=4 6011 B9R1.100 C#CCCC(=O)C1CO1 1458a_100000701028_100000753159 [0,1,0,1,0,0|1,0,1]=4 6012 B9R1.100 C/C=C/CC(=O)C1CO1 1458a_100000701028_100102629194 [0,1,0,1,0,0|1,0,1]=4 6013 B9R1.100 C=CCCC(=O)C1CO1 1458a_100000701028_100000754431 [0,1,0,1,0,0|1,0,1]=4 6014 B9R1.100 CC#CCC(=O)C1CO1 1458a_100000701028_100000748600 [0,1,0,1,0,0|1,0,1]=4 6015 B9R1.100 CC=CCC(=O)C1CO1 1458a_100000701028_100000070051 [0,1,0,1,0,0|1,0,1]=4 6016 B9R1.100 CCCCC(=O)C1CC1 1458a_100000210395_100000210211 [0,1,0,1,0,0|2,0,0]=4 6017 B9R1.100 CCCCC(=O)C1CO1 1458a_100000701028_100000210211 [0,1,0,1,0,0|1,0,0]=3 6018 B9R1.100 CCCNC(=O)C1CO1 11a_100020643023_100000701028 [0,1,0,1,0,0|2,0,0]=4 6019 B9R1.100 CCCNC(=O)C1CO1 1626a_100020643023_100000701028 [0,1,0,1,0,0|2,0,0]=4 6020 B9R1.100 CCCNC(=O)C1CO1 240690a_100020643023_100000701028 [0,1,0,1,0,0|2,0,0]=4 6021 B9R1.100 CCCNC(=O)C1CO1 527a_100020643023_100000701028 [0,1,0,1,0,0|2,0,0]=4 6022 B9R1.100 COCCC(=O)C1CC1 1458a_100000210395_100000233755 [0,1,0,1,0,0|1,1,0]=4 6023 B9R1.100 COCCC(=O)C1CO1 1458a_100000701028_100000233755 [0,1,0,1,0,0|0,1,0]=3 6024 B9R1.100 CSCCC(=O)C1CC1 1458a_100000210395_100000751147 [0,1,0,1,0,0|1,0,0]=3 6025 B9R1.100 CSCCC(=O)C1CO1 1458a_100000701028_100000751147 [0,1,0,1,0,0|0,0,0]=2 6026 B9R1.100 CSCOC(=O)C1CC1 62a_100000140896_200000210301 [0,1,0,1,0,0|2,0,0]=4 6027 B9R1.100 CSCOC(=O)C1CC1 62a_200000210301_100000140896 [0,1,0,1,0,0|2,0,0]=4 6028 B9R1.100 N#CCCC(=O)C1CO1 1458a_100000701028_100011215226 [0,1,0,1,0,0|2,0,0]=4 6029 B9R1.100 O=C(CCCF)C1CO1 1458a_100000701028_100011934791 [0,1,0,1,0,0|2,0,0]=4 6030 B9R1.100 O=C(CCCO)C1CO1 1458a_100000701028_100011215043 [0,1,0,1,0,0|2,0,0]=4 6031 B9R1.100 [13CH3]SCOC(=O)C1CC1 62a_100000140896_200025704644 [0,1,0,1,0,0|2,0,0]=4 6032 B9R1.100 [13CH3]SCOC(=O)C1CC1 62a_200025704644_100000140896 [0,1,0,1,0,0|2,0,0]=4 6033 B9R1.183 CC1CC1C(=O)CCF 1458a_100000211227_100011217306 [0,1,0,1,0,0|2,0,0]=4 6034 B9R1.183 CC1CC1C(=O)CCO 1458a_100000211227_100000211926 [0,1,0,1,0,0|2,0,0]=4 6035 B9R1.183 CCCC(=O)C1CC1C 1458a_100000211227_100000210303 [0,1,0,1,0,0|2,0,0]=4 6036 B9R1.183 CCNC(=O)C1CC1C 11a_100015525214_100000211227 [0,1,0,1,0,0|2,0,0]=4 6037 B9R1.183 CCNC(=O)C1CC1C 527a_100015525214_100000211227 [0,1,0,1,0,0|2,0,0]=4 6038 B9R1.183 CNNC(=O)C1CC1C 22a_100016993582_100000211227 [0,1,0,1,0,0|2,0,0]=4 6039 B9R1.3 CC1C(=O)NCCN1C 2230a_100000750721_200000210301 [0,1,0,1,0,0|2,0,0]=4 6040 B9R1.3 CC1C(=O)NCCN1C 269982a_100000750721_200000210301 [0,1,0,1,0,0|2,0,0]=4 6041 B9R1.3 CC1C(=O)NCCN1C 34a_100000750721_200000210301 [0,1,0,1,0,0|2,0,0]=4 6042 B9R1.3 CC1C(=O)NCCN1[13CH3] 2230a_100000750721_200025704644 [0,1,0,1,0,0|2,0,0]=4 6043 B9R1.3 CC1C(=O)NCCN1[13CH3] 269982a_100000750721_200025704644 [0,1,0,1,0,0|2,0,0]=4 6044 B9R1.3 CC1C(=O)NCCN1[13CH3] 34a_100000750721_200025704644 [0,1,0,1,0,0|2,0,0]=4 6045 B9R1.11 C=CC(=O)N1CCSC1 240690a_100011215254_200121576911 [0,1,0,1,0,0|1,0,1]=4 6046 B9R1.11 CCC(=O)C1CC=CC1 1458a_100000759439_100000210202 [0,1,0,1,0,0|2,0,0]=4 6047 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210414_100000179811 [0,1,0,1,0,0|2,0,0]=4 6048 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210718_100000210202 [0,1,0,1,0,0|2,0,0]=4 6049 B9R1.11 CCC(=O)C1CCCS1 1458a_100012002731_100000210202 [0,1,0,1,0,0|2,0,0]=4 6050 B9R1.11 CCC(=O)C1CCOC1 1458a_100000210414_100000690089 [0,1,0,1,0,0|1,1,0]=4 6051 B9R1.11 CCC(=O)C1CCOC1 1458a_100011219752_100000210202 [0,1,0,1,0,0|1,1,0]=4 6052 B9R1.11 CCC(=O)N1CCCC1 240690a_100000188435_100000210414 [0,1,0,1,0,0|2,0,0]=4 6053 B9R1.11 CCC(=O)N1CCCC1 527a_100000188435_100000210414 [0,1,0,1,0,0|2,0,0]=4 6054 B9R1.11 CCC(=O)N1CCSC1 11a_100011215254_100000210414 [0,1,0,1,0,0|1,0,0]=3 6055 B9R1.11 CCC(=O)N1CCSC1 240690a_100011215254_100000210414 [0,1,0,1,0,0|1,0,0]=3 6056 B9R1.11 CCC(=O)N1CCSC1 527a_100011215254_100000210414 [0,1,0,1,0,0|1,0,0]=3 6057 B9R1.11 CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210202 [0,1,0,1,0,0|2,0,0]=4 6058 B9R1.11 CNC(=O)C1CC=CC1 11a_106832991635_100000759439 [0,1,0,1,0,0|2,0,0]=4 6059 B9R1.11 CNC(=O)C1CC=CC1 1626a_100102657272_100000759439 [0,1,0,1,0,0|2,0,0]=4 6060 B9R1.11 CNC(=O)C1CC=CC1 240690a_100102657272_100000759439 [0,1,0,1,0,0|2,0,0]=4 6061 B9R1.11 CNC(=O)C1CC=CC1 527a_100102657272_100000759439 [0,1,0,1,0,0|2,0,0]=4 6062 B9R1.11 CNC(=O)C1CCCC1 11a_106832991635_100000210718 [0,1,0,1,0,0|2,0,0]=4 6063 B9R1.11 CNC(=O)C1CCCC1 1626a_100102657272_100000210718 [0,1,0,1,0,0|2,0,0]=4 6064 B9R1.11 CNC(=O)C1CCCC1 240690a_100102657272_100000210718 [0,1,0,1,0,0|2,0,0]=4 6065 B9R1.11 CNC(=O)C1CCCC1 527a_100102657272_100000210718 [0,1,0,1,0,0|2,0,0]=4 6066 B9R1.11 CNC(=O)C1CCCS1 11a_106832991635_100012002731 [0,1,0,1,0,0|2,0,0]=4 6067 B9R1.11 CNC(=O)C1CCCS1 1626a_100102657272_100012002731 [0,1,0,1,0,0|2,0,0]=4 6068 B9R1.11 CNC(=O)C1CCCS1 240690a_100102657272_100012002731 [0,1,0,1,0,0|2,0,0]=4 6069 B9R1.11 CNC(=O)C1CCCS1 527a_100102657272_100012002731 [0,1,0,1,0,0|2,0,0]=4 6070 B9R1.11 CNC(=O)C1CCOC1 11a_106832991635_100011219752 [0,1,0,1,0,0|1,1,0]=4 6071 B9R1.11 CNC(=O)C1CCOC1 1626a_100102657272_100011219752 [0,1,0,1,0,0|1,1,0]=4 6072 B9R1.11 CNC(=O)C1CCOC1 240690a_100102657272_100011219752 [0,1,0,1,0,0|1,1,0]=4 6073 B9R1.11 CNC(=O)C1CCOC1 527a_100102657272_100011219752 [0,1,0,1,0,0|1,1,0]=4 6074 B9R1.11 CNC(=O)N1CCCC1 2708a_100102657272_100000188435 [0,1,0,1,0,0|2,0,0]=4 6075 B9R1.11 CNC(=O)N1CCCC1 273464a_100102657272_100000188435 [0,1,0,1,0,0|2,0,0]=4 6076 B9R1.11 CNC(=O)N1CCSC1 2708a_100102657272_100011215254 [0,1,0,1,0,0|1,0,0]=3 6077 B9R1.11 CNC(=O)N1CCSC1 273464a_100102657272_100011215254 [0,1,0,1,0,0|1,0,0]=3 6078 B9R1.11 CNC(=O)[C@@H]1CCCO1 11a_106832991635_100000686382 [0,1,0,1,0,0|2,0,0]=4 6079 B9R1.11 CNC(=O)[C@@H]1CCCO1 1626a_100102657272_100000686382 [0,1,0,1,0,0|2,0,0]=4 6080 B9R1.11 CNC(=O)[C@@H]1CCCO1 240690a_100102657272_100000686382 [0,1,0,1,0,0|2,0,0]=4 6081 B9R1.11 CNC(=O)[C@@H]1CCCO1 527a_100102657272_100000686382 [0,1,0,1,0,0|2,0,0]=4 6082 B9R1.11 COC(C)N1CCSC1 269982a_100011215254_100009879195 [0,1,0,1,0,0|1,0,1]=4 6083 B9R1.11 O=C(CO)N1CCSC1 240690a_100011215254_100000210174 [0,1,0,1,0,0|2,0,0]=4 6084 B9R1.11 O=C(CO)N1CCSC1 527a_100011215254_100000210174 [0,1,0,1,0,0|2,0,0]=4 6085 B9R1.82 C=C1CC(C1)C(=O)CC 1458a_100000065620_100000210202 [0,1,0,1,0,0|2,0,0]=4 6086 B9R1.82 C=C1CC(C1)C(=O)NC 11a_106832991635_100000065620 [0,1,0,1,0,0|2,0,0]=4 6087 B9R1.82 C=C1CC(C1)C(=O)NC 1626a_100102657272_100000065620 [0,1,0,1,0,0|2,0,0]=4 6088 B9R1.82 C=C1CC(C1)C(=O)NC 240690a_100102657272_100000065620 [0,1,0,1,0,0|2,0,0]=4 6089 B9R1.82 C=C1CC(C1)C(=O)NC 527a_100102657272_100000065620 [0,1,0,1,0,0|2,0,0]=4 6090 B9R1.82 CCC(=O)C1CC(C1)C 1458a_100000686124_100000210202 [0,1,0,1,0,0|2,0,0]=4 6091 B9R1.82 CCC(=O)C1CC(C1)F 1458a_100000062598_100000210202 [0,1,0,1,0,0|2,0,0]=4 6092 B9R1.82 CCC(=O)C1CN(C1)C 1458a_100012002723_100000210202 [0,1,0,1,0,0|2,0,0]=4 6093 B9R1.82 CCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210202 [0,1,0,1,0,0|2,0,0]=4 6094 B9R1.82 CNC(=O)C1CC(C1)C 11a_106832991635_100000686124 [0,1,0,1,0,0|2,0,0]=4 6095 B9R1.82 CNC(=O)C1CC(C1)C 1626a_100102657272_100000686124 [0,1,0,1,0,0|2,0,0]=4 6096 B9R1.82 CNC(=O)C1CC(C1)C 240690a_100102657272_100000686124 [0,1,0,1,0,0|2,0,0]=4 6097 B9R1.82 CNC(=O)C1CC(C1)C 527a_100102657272_100000686124 [0,1,0,1,0,0|2,0,0]=4 6098 B9R1.82 CNC(=O)C1CC(C1)F 11a_106832991635_100000062598 [0,1,0,1,0,0|2,0,0]=4 6099 B9R1.82 CNC(=O)C1CC(C1)F 1626a_100102657272_100000062598 [0,1,0,1,0,0|2,0,0]=4 6100 B9R1.82 CNC(=O)C1CC(C1)F 240690a_100102657272_100000062598 [0,1,0,1,0,0|2,0,0]=4 6101 B9R1.82 CNC(=O)C1CC(C1)F 527a_100102657272_100000062598 [0,1,0,1,0,0|2,0,0]=4 6102 B9R1.82 CNC(=O)C1CN(C1)C 240690a_100102657272_100012002723 [0,1,0,1,0,0|2,0,0]=4 6103 B9R1.82 CNC(=O)C1CN(C1)C 34a_100000703363_200000210301 [0,1,0,1,0,0|2,0,0]=4 6104 B9R1.82 CNC(=O)C1CN(C1)[13CH3] 34a_100000703363_200025704644 [0,1,0,1,0,0|2,0,0]=4 6105 B9R1.82 CNC(=O)[C@H]1C[C@H](C1)O 240690a_100102657272_100015266633 [0,1,0,1,0,0|2,0,0]=4 6106 B9R1.82 CNC(=O)[C@H]1C[C@H](C1)O 527a_100102657272_100015266633 [0,1,0,1,0,0|2,0,0]=4 6107 B9R1.82 COC(=O)C1CN(C1)C 269982a_100015188540_200000210301 [0,1,0,1,0,0|1,0,0]=3 6108 B9R1.82 COC(=O)C1CN(C1)[13CH3] 269982a_100015188540_200025704644 [0,1,0,1,0,0|1,0,0]=3 6109 B9R1.88 CCC(=O)C1CC1CC 1458a_200011661523_100000210202 [0,1,0,1,0,0|2,0,0]=4 6110 B9R1.88 CCC1CC1C(=O)NC 11a_106832991635_200011661523 [0,1,0,1,0,0|2,0,0]=4 6111 B9R1.88 CCC1CC1C(=O)NC 1626a_100102657272_200011661523 [0,1,0,1,0,0|2,0,0]=4 6112 B9R1.88 CCC1CC1C(=O)NC 240690a_100102657272_200011661523 [0,1,0,1,0,0|2,0,0]=4 6113 B9R1.88 CCC1CC1C(=O)NC 527a_100102657272_200011661523 [0,1,0,1,0,0|2,0,0]=4 6114 B9R1.88 CCN1CC1C(=O)OC 2230a_200009830135_100000210202 [0,1,0,1,0,0|1,0,0]=3 6115 B9R1.132 COC1CCN(C1=O)C 34a_100138415774_100000755940 [0,1,0,1,0,0|1,0,1]=4 6116 B9R1.186 CCC(=O)C1(CCC1)C 1458a_100000684636_100000210202 [0,1,0,1,0,0|2,0,0]=4 6117 B9R1.186 CCC(=O)C1(CCC1)O 1458a_100000242746_100000210202 [0,1,0,1,0,0|2,0,0]=4 6118 B9R1.186 CCC(=O)C1(COC1)C 1458a_100000094709_100000210202 [0,1,0,1,0,0|1,1,0]=4 6119 B9R1.186 CCC(=O)C1(COC1)O 1458a_100010273515_100000210202 [0,1,0,1,0,0|1,1,0]=4 6120 B9R1.186 CNC(=O)C1(CCC1)C 11a_106832991635_100000684636 [0,1,0,1,0,0|2,0,0]=4 6121 B9R1.186 CNC(=O)C1(CCC1)C 1626a_100102657272_100000684636 [0,1,0,1,0,0|2,0,0]=4 6122 B9R1.186 CNC(=O)C1(CCC1)C 240690a_100102657272_100000684636 [0,1,0,1,0,0|2,0,0]=4 6123 B9R1.186 CNC(=O)C1(CCC1)C 527a_100102657272_100000684636 [0,1,0,1,0,0|2,0,0]=4 6124 B9R1.186 CNC(=O)C1(CCC1)O 240690a_100102657272_100000242746 [0,1,0,1,0,0|2,0,0]=4 6125 B9R1.186 CNC(=O)C1(COC1)C 11a_106832991635_100000094709 [0,1,0,1,0,0|1,1,0]=4 6126 B9R1.186 CNC(=O)C1(COC1)C 1626a_100102657272_100000094709 [0,1,0,1,0,0|1,1,0]=4 6127 B9R1.186 CNC(=O)C1(COC1)C 527a_100102657272_100000094709 [0,1,0,1,0,0|1,1,0]=4 6128 B9R1.186 CNC(=O)C1(COC1)O 240690a_100102657272_100010273515 [0,1,0,1,0,0|1,1,0]=4 6129 B9R1.1 CNC1CCC(=O)NC1 2230a_100000748762_200000210301 [0,1,0,1,0,0|2,0,0]=4 6130 B9R1.1 CNC1CCC(=O)NC1 34a_100000748762_200000210301 [0,1,0,1,0,0|2,0,0]=4 6131 B9R1.1 COC1CCC(=O)CC1 34a_100000764474_200000210301 [0,1,0,1,0,0|1,1,0]=4 6132 B9R1.1 COC1CCC(=O)CC1 7a_100000764474_200000210301 [0,1,0,1,0,0|1,1,0]=4 6133 B9R1.1 COC1CCC(=O)NC1 34a_100000079199_200000210301 [0,1,0,1,0,0|1,1,0]=4 6134 B9R1.1 COC1CNC(=O)NC1 34a_100000080929_200000210301 [0,1,0,1,0,0|1,1,0]=4 6135 B9R1.1 [13CH3]NC1CCC(=O)NC1 2230a_100000748762_200025704644 [0,1,0,1,0,0|2,0,0]=4 6136 B9R1.1 [13CH3]NC1CCC(=O)NC1 34a_100000748762_200025704644 [0,1,0,1,0,0|2,0,0]=4 6137 B9R1.1 [13CH3]OC1CCC(=O)CC1 34a_100000764474_200025704644 [0,1,0,1,0,0|1,1,0]=4 6138 B9R1.1 [13CH3]OC1CCC(=O)CC1 7a_100000764474_200025704644 [0,1,0,1,0,0|1,1,0]=4 6139 B9R1.1 [13CH3]OC1CCC(=O)NC1 34a_100000079199_200025704644 [0,1,0,1,0,0|1,1,0]=4 6140 B9R1.1 [13CH3]OC1CNC(=O)NC1 34a_100000080929_200025704644 [0,1,0,1,0,0|1,1,0]=4 6141 B9R1.17 CSCNC[C@@H]1CCO1 2230a_100020831831_100011218213 [0,1,0,1,0,0|1,0,1]=4 6142 B9R1.17 CSCNC[C@@H]1CCO1 34a_100020831831_100011218213 [0,1,0,1,0,0|1,0,1]=4 6143 B9R1.17 CSCOCC1CCO1 34a_100000039022_100011218213 [0,1,0,1,0,0|1,0,1]=4 6144 B9R1.17 CSCSCC1CCO1 62a_100000103362_100011218213 [0,1,0,1,0,0|1,0,1]=4 6145 B9R1.17 CSCSCC1CCO1 62a_100011218213_100000103362 [0,1,0,1,0,0|1,0,1]=4 6146 B9R1.39 CCCOC1CCC1=O 34a_100000210258_100009892977 [0,1,0,1,0,0|2,0,0]=4 6147 B9R1.39 CCCSC1CCC1=O 62a_100000210303_100009892977 [0,1,0,1,0,0|2,0,0]=4 6148 B9R1.39 CCCSC1CCC1=O 62a_100009892977_100000210303 [0,1,0,1,0,0|2,0,0]=4 6149 B9R1.39 CNCCC1CCC1=O 2230a_106832991635_200016118888 [0,1,0,1,0,0|2,0,0]=4 6150 B9R1.39 CNCCC1CCC1=O 7a_106832991635_200016118888 [0,1,0,1,0,0|2,0,0]=4 6151 B9R1.39 COCSC1CCC1=O 62a_100000766300_100009892977 [0,1,0,1,0,0|1,1,0]=4 6152 B9R1.39 COCSC1CCC1=O 62a_100009892977_100000766300 [0,1,0,1,0,0|1,1,0]=4 6153 B9R1.39 CSCCC1CCC1=O 62a_200000210301_200016118888 [0,1,0,1,0,0|1,0,0]=3 6154 B9R1.39 CSCCC1CCC1=O 62a_200016118888_200000210301 [0,1,0,1,0,0|1,0,0]=3 6155 B9R1.39 CSCSC1CCC1=O 62a_100009892977_100011218213 [0,1,0,1,0,0|1,0,0]=3 6156 B9R1.39 CSCSC1CCC1=O 62a_100011218213_100009892977 [0,1,0,1,0,0|1,0,0]=3 6157 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200016118888_200025704644 [0,1,0,1,0,0|1,0,0]=3 6158 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200025704644_200016118888 [0,1,0,1,0,0|1,0,0]=3 6159 B9R1.79 C=CC(=O)NC1CSC1 1626a_100016994217_100000185746 [0,1,0,1,0,0|1,0,1]=4 6160 B9R1.79 C=CC(=O)NC1CSC1 240690a_100016994217_200121576911 [0,1,0,1,0,0|1,0,1]=4 6161 B9R1.79 CCC(=O)CC1CCC1 1458a_100000210414_100000763275 [0,1,0,1,0,0|2,0,0]=4 6162 B9R1.79 CCC(=O)CC1CCC1 1458a_100000763092_100000210202 [0,1,0,1,0,0|2,0,0]=4 6163 B9R1.79 CCC(=O)CC1CCO1 1458a_100000210414_100000103362 [0,1,0,1,0,0|1,1,0]=4 6164 B9R1.79 CCC(=O)CC1COC1 1458a_100000210414_100010264016 [0,1,0,1,0,0|1,1,0]=4 6165 B9R1.79 CCC(=O)CC1COC1 1458a_100000687760_100000210202 [0,1,0,1,0,0|1,1,0]=4 6166 B9R1.79 CCC(=O)CN1CCC1 269982a_100000754969_100000747405 [0,1,0,1,0,0|2,0,0]=4 6167 B9R1.79 CCC(=O)NC1CCC1 11a_100000749019_100000210414 [0,1,0,1,0,0|2,0,0]=4 6168 B9R1.79 CCC(=O)NC1CCC1 1626a_100000749019_100000210414 [0,1,0,1,0,0|2,0,0]=4 6169 B9R1.79 CCC(=O)NC1CCC1 240690a_100000749019_100000210414 [0,1,0,1,0,0|2,0,0]=4 6170 B9R1.79 CCC(=O)NC1CCC1 527a_100000749019_100000210414 [0,1,0,1,0,0|2,0,0]=4 6171 B9R1.79 CCC(=O)NC1COC1 11a_100016991112_100000210414 [0,1,0,1,0,0|1,1,0]=4 6172 B9R1.79 CCC(=O)NC1COC1 1626a_100016991112_100000210414 [0,1,0,1,0,0|1,1,0]=4 6173 B9R1.79 CCC(=O)NC1COC1 240690a_100016991112_100000210414 [0,1,0,1,0,0|1,1,0]=4 6174 B9R1.79 CCC(=O)NC1COC1 527a_100016991112_100000210414 [0,1,0,1,0,0|1,1,0]=4 6175 B9R1.79 CCC(=O)NC1CSC1 11a_100016994217_100000210414 [0,1,0,1,0,0|1,0,0]=3 6176 B9R1.79 CCC(=O)NC1CSC1 1626a_100016994217_100000210414 [0,1,0,1,0,0|1,0,0]=3 6177 B9R1.79 CCC(=O)NC1CSC1 240690a_100016994217_100000210414 [0,1,0,1,0,0|1,0,0]=3 6178 B9R1.79 CCC(=O)NC1CSC1 527a_100016994217_100000210414 [0,1,0,1,0,0|1,0,0]=3 6179 B9R1.79 CNC(=O)CC1CCC1 11a_106832991635_100000763092 [0,1,0,1,0,0|2,0,0]=4 6180 B9R1.79 CNC(=O)CC1CCC1 1626a_100102657272_100000763092 [0,1,0,1,0,0|2,0,0]=4 6181 B9R1.79 CNC(=O)CC1CCC1 240690a_100102657272_100000763092 [0,1,0,1,0,0|2,0,0]=4 6182 B9R1.79 CNC(=O)CC1CCC1 527a_100102657272_100000763092 [0,1,0,1,0,0|2,0,0]=4 6183 B9R1.79 CNC(=O)CC1COC1 11a_106832991635_100000687760 [0,1,0,1,0,0|1,1,0]=4 6184 B9R1.79 CNC(=O)CC1COC1 1626a_100102657272_100000687760 [0,1,0,1,0,0|1,1,0]=4 6185 B9R1.79 CNC(=O)CN1CCC1 269982a_100000754969_100000183359 [0,1,0,1,0,0|2,0,0]=4 6186 B9R1.79 CNC(=O)NC1CCC1 2708a_100102657272_100000749019 [0,1,0,1,0,0|2,0,0]=4 6187 B9R1.79 CNC(=O)NC1CCC1 273464a_100000749019_100102657272 [0,1,0,1,0,0|2,0,0]=4 6188 B9R1.79 CNC(=O)NC1CCC1 273464a_100102657272_100000749019 [0,1,0,1,0,0|2,0,0]=4 6189 B9R1.79 CNC(=O)NC1CCC1 512a_100000749019_100102657272 [0,1,0,1,0,0|2,0,0]=4 6190 B9R1.79 CNC(=O)NC1CCC1 512a_106832991638_100000749019 [0,1,0,1,0,0|2,0,0]=4 6191 B9R1.79 CNC(=O)NC1COC1 2708a_100016991112_106832991635 [0,1,0,1,0,0|1,1,0]=4 6192 B9R1.79 CNC(=O)NC1COC1 2708a_100102657272_100016991112 [0,1,0,1,0,0|1,1,0]=4 6193 B9R1.79 CNC(=O)NC1COC1 273464a_100016991112_100102657272 [0,1,0,1,0,0|1,1,0]=4 6194 B9R1.79 CNC(=O)NC1COC1 273464a_100102657272_100016991112 [0,1,0,1,0,0|1,1,0]=4 6195 B9R1.79 CNC(=O)NC1COC1 512a_100016991112_100102657272 [0,1,0,1,0,0|1,1,0]=4 6196 B9R1.79 CNC(=O)NC1COC1 512a_106832991638_100016991112 [0,1,0,1,0,0|1,1,0]=4 6197 B9R1.79 CNC(=O)NC1CSC1 2708a_100016994217_106832991635 [0,1,0,1,0,0|1,0,0]=3 6198 B9R1.79 CNC(=O)NC1CSC1 2708a_100102657272_100016994217 [0,1,0,1,0,0|1,0,0]=3 6199 B9R1.79 CNC(=O)NC1CSC1 273464a_100016994217_100102657272 [0,1,0,1,0,0|1,0,0]=3 6200 B9R1.79 CNC(=O)NC1CSC1 273464a_100102657272_100016994217 [0,1,0,1,0,0|1,0,0]=3 6201 B9R1.79 CNC(=O)NC1CSC1 512a_100016994217_100102657272 [0,1,0,1,0,0|1,0,0]=3 6202 B9R1.79 CNC(=O)NC1CSC1 512a_106832991638_100016994217 [0,1,0,1,0,0|1,0,0]=3 6203 B9R1.79 COC(=O)CN1CCC1 269982a_100000754969_100000747449 [0,1,0,1,0,0|1,0,0]=3 6204 B9R1.79 O=C(CO)NC1CSC1 240690a_100016994217_100000210174 [0,1,0,1,0,0|2,0,0]=4 6205 B9R1.79 O=C(CO)NC1CSC1 527a_100016994217_100000210174 [0,1,0,1,0,0|2,0,0]=4 6206 B9R1.80 CCC(=O)CCC1CC1 1458a_100000210414_100000694398 [0,1,0,1,0,0|2,0,0]=4 6207 B9R1.80 CCC(=O)CCC1CC1 1458a_100000756386_100000210202 [0,1,0,1,0,0|2,0,0]=4 6208 B9R1.80 CCC(=O)CCC1CO1 1458a_100000210414_100000732470 [0,1,0,1,0,0|1,1,0]=4 6209 B9R1.80 CCC(=O)COC1CC1 34a_100000725409_100000211595 [0,1,0,1,0,0|2,0,0]=4 6210 B9R1.80 CCC(=O)CSC1CC1 62a_100000747405_100000211595 [0,1,0,1,0,0|2,0,0]=4 6211 B9R1.80 CCC(=O)NCC1CC1 11a_100000735609_100000210414 [0,1,0,1,0,0|2,0,0]=4 6212 B9R1.80 CCC(=O)NCC1CC1 1626a_100000735609_100000210414 [0,1,0,1,0,0|2,0,0]=4 6213 B9R1.80 CCC(=O)NCC1CC1 240690a_100000735609_100000210414 [0,1,0,1,0,0|2,0,0]=4 6214 B9R1.80 CCC(=O)NCC1CC1 527a_100000735609_100000210414 [0,1,0,1,0,0|2,0,0]=4 6215 B9R1.80 CNC(=O)CCC1CC1 11a_106832991635_100000756386 [0,1,0,1,0,0|2,0,0]=4 6216 B9R1.80 CNC(=O)CCC1CC1 1626a_100102657272_100000756386 [0,1,0,1,0,0|2,0,0]=4 6217 B9R1.80 CNC(=O)CCC1CC1 240690a_100102657272_100000756386 [0,1,0,1,0,0|2,0,0]=4 6218 B9R1.80 CNC(=O)CCC1CC1 527a_100102657272_100000756386 [0,1,0,1,0,0|2,0,0]=4 6219 B9R1.80 CNC(=O)CNC1CC1 34a_100000212008_100000183359 [0,1,0,1,0,0|2,0,0]=4 6220 B9R1.80 CNC(=O)COC1CC1 34a_100000750040_100000211595 [0,1,0,1,0,0|2,0,0]=4 6221 B9R1.80 CNC(=O)CSC1CC1 62a_100000183359_100000211595 [0,1,0,1,0,0|2,0,0]=4 6222 B9R1.80 CNC(=O)NCC1CC1 2708a_100000735609_106832991635 [0,1,0,1,0,0|2,0,0]=4 6223 B9R1.80 CNC(=O)NCC1CC1 2708a_100102657272_100000735609 [0,1,0,1,0,0|2,0,0]=4 6224 B9R1.80 CNC(=O)NCC1CC1 273464a_100000735609_100102657272 [0,1,0,1,0,0|2,0,0]=4 6225 B9R1.80 CNC(=O)NCC1CC1 273464a_100102657272_100000735609 [0,1,0,1,0,0|2,0,0]=4 6226 B9R1.80 CNC(=O)NCC1CC1 512a_100000735609_100102657272 [0,1,0,1,0,0|2,0,0]=4 6227 B9R1.80 CNC(=O)NCC1CC1 512a_106832991638_100000735609 [0,1,0,1,0,0|2,0,0]=4 6228 B9R1.80 COC(=O)CNC1CC1 34a_100000212008_100000747449 [0,1,0,1,0,0|1,0,0]=3 6229 B9R1.80 COC(=O)CSC1CC1 62a_100000747449_100000211595 [0,1,0,1,0,0|1,0,0]=3 6230 B9R1.80 COC(C)SCC1CS1 62a_100000031435_100009879195 [0,1,0,1,0,0|1,0,1]=4 6231 B9R1.80 COC(C)SCC1CS1 62a_100009879195_100000031435 [0,1,0,1,0,0|1,0,1]=4 6232 B9R1.81 CCC(=O)N1CCC1C 11a_100000755817_100000210414 [0,1,0,1,0,0|2,0,0]=4 6233 B9R1.81 CCC(=O)N1CCC1C 240690a_100000755817_100000210414 [0,1,0,1,0,0|2,0,0]=4 6234 B9R1.81 CCC(=O)N1CCC1C 527a_100000755817_100000210414 [0,1,0,1,0,0|2,0,0]=4 6235 B9R1.81 CNC(=O)N1CCC1C 2708a_100102657272_100000755817 [0,1,0,1,0,0|2,0,0]=4 6236 B9R1.81 CNC(=O)N1CCC1C 273464a_100102657272_100000755817 [0,1,0,1,0,0|2,0,0]=4 6237 B9R1.81 COC(=O)[C@@H]1CCN1C 2230a_102516456887_200000210301 [0,1,0,1,0,0|1,0,0]=3 6238 B9R1.81 COC(=O)[C@@H]1CCN1C 269982a_102516456887_200000210301 [0,1,0,1,0,0|1,0,0]=3 6239 B9R1.81 COC(=O)[C@@H]1CCN1[13CH3] 2230a_102516456887_200025704644 [0,1,0,1,0,0|1,0,0]=3 6240 B9R1.81 COC(=O)[C@@H]1CCN1[13CH3] 269982a_102516456887_200025704644 [0,1,0,1,0,0|1,0,0]=3 6241 B9R1.99 CSCSCC1(CO1)C 62a_100000760498_100011218213 [0,1,0,1,0,0|1,0,1]=4 6242 B9R1.99 CSCSCC1(CO1)C 62a_100011218213_100000760498 [0,1,0,1,0,0|1,0,1]=4 6243 B9R1.118 CC1(CCSCC1)O[13CH3] 34a_200011004327_200025704644 [0,1,0,1,0,0|1,0,1]=4 6244 B9R1.118 CC1(CCSCC1)O[13CH3] 7a_200011004327_200025704644 [0,1,0,1,0,0|1,0,1]=4 6245 B9R1.118 COC1(CCSCC1)C 34a_200011004327_200000210301 [0,1,0,1,0,0|1,0,1]=4 6246 B9R1.118 COC1(CCSCC1)C 7a_200011004327_200000210301 [0,1,0,1,0,0|1,0,1]=4 6247 B9R1.23 CC1=CC(OC1=O)S[13CH3] 62a_200009893386_200025704644 [0,1,0,1,0,0|2,0,0]=4 6248 B9R1.23 CC1=CC(OC1=O)S[13CH3] 62a_200025704644_200009893386 [0,1,0,1,0,0|2,0,0]=4 6249 B9R1.23 CN1CC(CC1=O)N[13CH3] 2230a_100000748898_200025704644 [0,1,0,1,0,0|2,0,0]=4 6250 B9R1.23 CN1CC(CC1=O)N[13CH3] 34a_100000748898_200025704644 [0,1,0,1,0,0|2,0,0]=4 6251 B9R1.23 CNC1CC(=O)N(C1)C 2230a_100000748898_200000210301 [0,1,0,1,0,0|2,0,0]=4 6252 B9R1.23 CNC1CC(=O)N(C1)C 34a_100000748898_200000210301 [0,1,0,1,0,0|2,0,0]=4 6253 B9R1.23 CSC1C=C(C(=O)O1)C 62a_200000210301_200009893386 [0,1,0,1,0,0|2,0,0]=4 6254 B9R1.23 CSC1C=C(C(=O)O1)C 62a_200009893386_200000210301 [0,1,0,1,0,0|2,0,0]=4 6255 B9R1.35 CC(=O)C1CNC(=O)C1 1458a_100000747279_200000210301 [0,1,0,1,0,0|2,0,0]=4 6256 B9R1.35 [13CH3]C(=O)C1CNC(=O)C1 1458a_100000747279_200025704644 [0,1,0,1,0,0|2,0,0]=4 6257 B9R1.45 CC(C)C(=O)C1CC1C 1458a_100000211227_100000210206 [0,1,0,1,0,0|2,0,0]=4 6258 B9R1.45 CC1CC1C(=O)N(C)C 11a_100102631434_100000211227 [0,1,0,1,0,0|2,0,0]=4 6259 B9R1.45 CC1CC1C(=O)N(C)C 1626a_100102631434_100000211227 [0,1,0,1,0,0|2,0,0]=4 6260 B9R1.45 CC1CC1C(=O)N(C)C 527a_100102631434_100000211227 [0,1,0,1,0,0|2,0,0]=4 6261 B9R1.110 C=C(C)C(=O)C1CCC1 1458a_100000185857_100000749161 [0,1,0,1,0,0|2,0,0]=4 6262 B9R1.110 C=C(C)C(=O)C1COC1 1458a_100000185857_100000687716 [0,1,0,1,0,0|1,1,0]=4 6263 B9R1.110 CC(C)C(=O)C1CCC1 1458a_100000209988_100000210206 [0,1,0,1,0,0|2,0,0]=4 6264 B9R1.110 CC(C)C(=O)C1CCC1 1458a_100000210198_100000749161 [0,1,0,1,0,0|2,0,0]=4 6265 B9R1.110 CC(C)C(=O)C1COC1 1458a_100000210198_100000687716 [0,1,0,1,0,0|1,1,0]=4 6266 B9R1.110 CC(C)C(=O)C1COC1 1458a_100000758290_100000210206 [0,1,0,1,0,0|1,1,0]=4 6267 B9R1.110 CC(F)C(=O)C1CCC1 1458a_100000062450_100000749161 [0,1,0,1,0,0|2,0,0]=4 6268 B9R1.110 CC(F)C(=O)C1COC1 1458a_100000062450_100000687716 [0,1,0,1,0,0|1,1,0]=4 6269 B9R1.110 CN(C)C(=O)C1CCC1 11a_100102631434_100000209988 [0,1,0,1,0,0|2,0,0]=4 6270 B9R1.110 CN(C)C(=O)C1CCC1 1626a_100102631434_100000209988 [0,1,0,1,0,0|2,0,0]=4 6271 B9R1.110 CN(C)C(=O)C1CCC1 240690a_100102631434_100000209988 [0,1,0,1,0,0|2,0,0]=4 6272 B9R1.110 CN(C)C(=O)C1CCC1 527a_100102631434_100000209988 [0,1,0,1,0,0|2,0,0]=4 6273 B9R1.110 CN(C)C(=O)C1COC1 11a_100102631434_100000758290 [0,1,0,1,0,0|1,1,0]=4 6274 B9R1.110 CN(C)C(=O)C1COC1 1626a_100102631434_100000758290 [0,1,0,1,0,0|1,1,0]=4 6275 B9R1.110 CN(C)C(=O)C1COC1 240690a_100102631434_100000758290 [0,1,0,1,0,0|1,1,0]=4 6276 B9R1.110 CN(C)C(=O)C1COC1 527a_100102631434_100000758290 [0,1,0,1,0,0|1,1,0]=4 6277 B9R1.110 C[C@@H](O)C(=O)C1CCC1 1458a_100000717761_100000749161 [0,1,0,1,0,0|2,0,0]=4 6278 B9R1.110 C[C@@H](O)C(=O)C1COC1 1458a_100000717761_100000687716 [0,1,0,1,0,0|1,1,0]=4 6279 B9R1.110 C[C@H](O)C(=O)C1CCC1 1458a_217856618621_100000749161 [0,1,0,1,0,0|2,0,0]=4 6280 B9R1.110 C[C@H](O)C(=O)C1COC1 1458a_217856618621_100000687716 [0,1,0,1,0,0|1,1,0]=4 6281 B9R1.112 C=C(C)C(=O)CC1CC1 1458a_100000185857_100000742324 [0,1,0,1,0,0|2,0,0]=4 6282 B9R1.112 C=C(C)C(=O)CC1CO1 1458a_100000185857_100011216344 [0,1,0,1,0,0|1,1,0]=4 6283 B9R1.112 C=C(C)C(=O)CC1CS1 1458a_100000185857_100000031435 [0,1,0,1,0,0|1,0,0]=3 6284 B9R1.112 C=C(C)C(=O)C[C@@H]1CO1 1458a_100000185857_100000745022 [0,1,0,1,0,0|1,1,0]=4 6285 B9R1.112 CC(C)C(=O)CC1CC1 1458a_100000210198_100000742324 [0,1,0,1,0,0|2,0,0]=4 6286 B9R1.112 CC(C)C(=O)CC1CC1 1458a_100000738066_100000210206 [0,1,0,1,0,0|2,0,0]=4 6287 B9R1.112 CC(C)C(=O)CC1CO1 1458a_100000210198_100011216344 [0,1,0,1,0,0|1,1,0]=4 6288 B9R1.112 CC(C)C(=O)CC1CS1 1458a_100000210198_100000031435 [0,1,0,1,0,0|1,0,0]=3 6289 B9R1.112 CC(C)C(=O)C[C@@H]1CO1 1458a_100000210198_100000745022 [0,1,0,1,0,0|1,1,0]=4 6290 B9R1.112 CC(F)C(=O)CC1CC1 1458a_100000062450_100000742324 [0,1,0,1,0,0|2,0,0]=4 6291 B9R1.112 CC(F)C(=O)CC1CO1 1458a_100000062450_100011216344 [0,1,0,1,0,0|1,1,0]=4 6292 B9R1.112 CC(F)C(=O)CC1CS1 1458a_100000062450_100000031435 [0,1,0,1,0,0|1,0,0]=3 6293 B9R1.112 CC(F)C(=O)C[C@@H]1CO1 1458a_100000062450_100000745022 [0,1,0,1,0,0|1,1,0]=4 6294 B9R1.112 CN(C)C(=O)CC1CC1 11a_100102631434_100000738066 [0,1,0,1,0,0|2,0,0]=4 6295 B9R1.112 CN(C)C(=O)CC1CC1 1626a_100102631434_100000738066 [0,1,0,1,0,0|2,0,0]=4 6296 B9R1.112 CN(C)C(=O)CC1CC1 240690a_100102631434_100000738066 [0,1,0,1,0,0|2,0,0]=4 6297 B9R1.112 CN(C)C(=O)CC1CC1 527a_100102631434_100000738066 [0,1,0,1,0,0|2,0,0]=4 6298 B9R1.112 C[C@@H](O)C(=O)CC1CC1 1458a_100000717761_100000742324 [0,1,0,1,0,0|2,0,0]=4 6299 B9R1.112 C[C@@H](O)C(=O)CC1CO1 1458a_100000717761_100011216344 [0,1,0,1,0,0|1,1,0]=4 6300 B9R1.112 C[C@@H](O)C(=O)CC1CS1 1458a_100000717761_100000031435 [0,1,0,1,0,0|1,0,0]=3 6301 B9R1.112 C[C@@H](O)C(=O)C[C@@H]1CO1 1458a_100000717761_100000745022 [0,1,0,1,0,0|1,1,0]=4 6302 B9R1.112 C[C@H](O)C(=O)CC1CC1 1458a_217856618621_100000742324 [0,1,0,1,0,0|2,0,0]=4 6303 B9R1.112 C[C@H](O)C(=O)CC1CO1 1458a_217856618621_100011216344 [0,1,0,1,0,0|1,1,0]=4 6304 B9R1.112 C[C@H](O)C(=O)CC1CS1 1458a_217856618621_100000031435 [0,1,0,1,0,0|1,0,0]=3 6305 B9R1.112 C[C@H](O)C(=O)C[C@@H]1CO1 1458a_217856618621_100000745022 [0,1,0,1,0,0|1,1,0]=4 6306 B9R1.112 O=C(CC1CS1)C(O)O 1458a_100000233687_100000031435 [0,1,0,1,0,0|2,0,0]=4 6307 B9R1.185 CCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000210202 [0,1,0,1,0,0|2,0,0]=4 6308 B9R1.185 CNC(=O)[C@H]1CC1(C)C 11a_106832991635_100000692687 [0,1,0,1,0,0|2,0,0]=4 6309 B9R1.185 CNC(=O)[C@H]1CC1(C)C 1626a_100102657272_100000692687 [0,1,0,1,0,0|2,0,0]=4 6310 B9R1.185 CNC(=O)[C@H]1CC1(C)C 240690a_100102657272_100000692687 [0,1,0,1,0,0|2,0,0]=4 6311 B9R1.185 CNC(=O)[C@H]1CC1(C)C 527a_100102657272_100000692687 [0,1,0,1,0,0|2,0,0]=4 6312 B9R1.113 CCC(=O)CC1(CC1)C 1458a_100000112800_100000210202 [0,1,0,1,0,0|2,0,0]=4 6313 B9R1.113 CCC(=O)CC1(CO1)C 1458a_100000210414_100000760498 [0,1,0,1,0,0|1,1,0]=4 6314 B9R1.113 CNC(=O)CC1(CC1)C 11a_106832991635_100000112800 [0,1,0,1,0,0|2,0,0]=4 6315 B9R1.113 CNC(=O)CC1(CC1)C 1626a_100102657272_100000112800 [0,1,0,1,0,0|2,0,0]=4 6316 B9R1.113 CNC(=O)CC1(CC1)C 240690a_100102657272_100000112800 [0,1,0,1,0,0|2,0,0]=4 6317 B9R1.113 CNC(=O)CC1(CC1)C 527a_100102657272_100000112800 [0,1,0,1,0,0|2,0,0]=4