0 B7R0.3 C#CC(=O)C/C=C/C 1458a_100000211873_100102629194 [0,0,0,0,0,0|1,0,3]=4 1 B7R0.3 C#CC(=O)CC#CC 1458a_100000211873_100000748600 [0,0,0,0,0,0|1,0,3]=4 2 B7R0.3 C#CC(=O)CC=CC 1458a_100000211873_100000070051 [0,0,0,0,0,0|1,0,3]=4 3 B7R0.3 C#CC(=O)CCC#N 1458a_100000211873_100011215226 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.3 C#CC(=O)CCC=C 1458a_100000211873_100000754431 [0,0,0,0,0,0|1,0,3]=4 5 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [0,0,0,0,0,0|1,0,1]=2 6 B7R0.3 C#CC(=O)CCCF 1458a_100000211873_100011934791 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.3 C#CC(=O)CCCO 1458a_100000211873_100011215043 [0,0,0,0,0,0|2,0,1]=3 8 B7R0.3 C#CC(=O)CCOC 1458a_100000211873_100000233755 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.3 C#CC(=O)CCSC 1458a_100000211873_100000751147 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.3 C#CCCC(=O)C#C 1458a_100000211873_100000753159 [0,0,0,0,0,0|1,0,3]=4 11 B7R0.3 C#CCCC(=O)C=C 1458a_100000185746_100000753159 [0,0,0,0,0,0|1,0,3]=4 12 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [0,0,0,0,0,0|1,0,2]=3 13 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [0,0,0,0,0,0|1,0,2]=3 14 B7R0.3 C#CCCC(=O)CF 1458a_100000692101_100015361967 [0,0,0,0,0,0|2,0,2]=4 15 B7R0.3 C#CCCC(=O)CO 1458a_100000210174_100000753159 [0,0,0,0,0,0|2,0,2]=4 16 B7R0.3 C#CCCC(=O)NC 11a_106832991635_100000692101 [0,0,0,0,0,0|1,0,2]=3 17 B7R0.3 C#CCCC(=O)NC 1626a_100102657272_100000692101 [0,0,0,0,0,0|1,0,2]=3 18 B7R0.3 C#CCCC(=O)NC 240690a_100102657272_100000692101 [0,0,0,0,0,0|1,0,2]=3 19 B7R0.3 C#CCCC(=O)NC 527a_100102657272_100000692101 [0,0,0,0,0,0|1,0,2]=3 20 B7R0.3 C#CCNC(=O)CC 11a_100000212058_100000210414 [0,0,0,0,0,0|2,0,2]=4 21 B7R0.3 C#CCNC(=O)CC 1626a_100000212058_100000210414 [0,0,0,0,0,0|2,0,2]=4 22 B7R0.3 C#CCNC(=O)CC 240690a_100000212058_100000210414 [0,0,0,0,0,0|2,0,2]=4 23 B7R0.3 C#CCNC(=O)CC 527a_100000212058_100000210414 [0,0,0,0,0,0|2,0,2]=4 24 B7R0.3 C#CCNC(=O)NC 2708a_100000212058_106832991635 [0,0,0,0,0,0|2,0,2]=4 25 B7R0.3 C#CCNC(=O)NC 2708a_100102657272_100000212058 [0,0,0,0,0,0|2,0,2]=4 26 B7R0.3 C#CCNC(=O)NC 273464a_100000212058_100102657272 [0,0,0,0,0,0|2,0,2]=4 27 B7R0.3 C#CCNC(=O)NC 273464a_100102657272_100000212058 [0,0,0,0,0,0|2,0,2]=4 28 B7R0.3 C#CCNC(=O)NC 512a_100000212058_100102657272 [0,0,0,0,0,0|2,0,2]=4 29 B7R0.3 C#CCNC(=O)NC 512a_106832991638_100000212058 [0,0,0,0,0,0|2,0,2]=4 30 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [0,0,0,0,0,0|1,0,2]=3 31 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [0,0,0,0,0,0|2,0,2]=4 32 B7R0.3 C=C(C#N)CNCC 2230a_100015525214_100000694840 [0,0,0,0,0,0|4,0,0]=4 33 B7R0.3 C=C(C#N)COCC 34a_100121572206_100000694840 [0,0,0,0,0,0|4,0,0]=4 34 B7R0.3 C=C(C#N)CSCC 62a_100000210202_100000694840 [0,0,0,0,0,0|4,0,0]=4 35 B7R0.3 C=CC(=O)C/C=C/C 1458a_100000185746_100102629194 [0,0,0,0,0,0|1,0,3]=4 36 B7R0.3 C=CC(=O)CC#CC 1458a_100000185746_100000748600 [0,0,0,0,0,0|1,0,3]=4 37 B7R0.3 C=CC(=O)CC=CC 1458a_100000185746_100000070051 [0,0,0,0,0,0|1,0,3]=4 38 B7R0.3 C=CC(=O)CCC#N 1458a_100000185746_100011215226 [0,0,0,0,0,0|2,0,2]=4 39 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [0,0,0,0,0,0|1,0,1]=2 40 B7R0.3 C=CC(=O)CCCF 1458a_100000185746_100011934791 [0,0,0,0,0,0|2,0,1]=3 41 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [0,0,0,0,0,0|2,0,1]=3 42 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [0,0,0,0,0,0|2,0,1]=3 43 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [0,0,0,0,0,0|2,0,1]=3 44 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [0,0,0,0,0,0|2,0,1]=3 45 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [0,0,0,0,0,0|2,0,1]=3 46 B7R0.3 C=CC(=O)NCCF 1626a_100000724931_100000185746 [0,0,0,0,0,0|3,0,1]=4 47 B7R0.3 C=CC(=O)NCCF 240690a_100000724931_200121576911 [0,0,0,0,0,0|3,0,1]=4 48 B7R0.3 C=CC(=O)NCCO 240690a_100000210304_200121576911 [0,0,0,0,0,0|3,0,1]=4 49 B7R0.3 C=CC(=O)NNCC 22a_100000756455_100000185746 [0,0,0,0,0,0|3,0,1]=4 50 B7R0.3 C=CCCC(=O)C=C 1458a_100000185746_100000754431 [0,0,0,0,0,0|1,0,3]=4 51 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [0,0,0,0,0,0|1,0,2]=3 52 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [0,0,0,0,0,0|1,0,2]=3 53 B7R0.3 C=CCCC(=O)CF 1458a_100000749702_100015361967 [0,0,0,0,0,0|2,0,2]=4 54 B7R0.3 C=CCCC(=O)CO 1458a_100000210174_100000754431 [0,0,0,0,0,0|2,0,2]=4 55 B7R0.3 C=CCCC(=O)NC 11a_106832991635_100000749702 [0,0,0,0,0,0|1,0,2]=3 56 B7R0.3 C=CCCC(=O)NC 1626a_100102657272_100000749702 [0,0,0,0,0,0|1,0,2]=3 57 B7R0.3 C=CCCC(=O)NC 240690a_100102657272_100000749702 [0,0,0,0,0,0|1,0,2]=3 58 B7R0.3 C=CCCC(=O)NC 527a_100102657272_100000749702 [0,0,0,0,0,0|1,0,2]=3 59 B7R0.3 C=CCCC(C)OC 34a_100000765329_200000210301 [0,0,0,0,0,0|1,0,3]=4 60 B7R0.3 C=CCCC(C)OC 7a_100000765329_200000210301 [0,0,0,0,0,0|1,0,3]=4 61 B7R0.3 C=CCCC(C)O[13CH3] 34a_100000765329_200025704644 [0,0,0,0,0,0|1,0,3]=4 62 B7R0.3 C=CCCC(C)O[13CH3] 7a_100000765329_200025704644 [0,0,0,0,0,0|1,0,3]=4 63 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [0,0,0,0,0,0|2,0,2]=4 64 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [0,0,0,0,0,0|2,0,2]=4 65 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [0,0,0,0,0,0|2,0,2]=4 66 B7R0.3 C=CCNC(=O)NC 2708a_100102657272_100020586998 [0,0,0,0,0,0|2,0,2]=4 67 B7R0.3 C=CCNC(=O)NC 273464a_100020586998_100102657272 [0,0,0,0,0,0|2,0,2]=4 68 B7R0.3 C=CCNC(=O)NC 273464a_100102657272_100020586998 [0,0,0,0,0,0|2,0,2]=4 69 B7R0.3 C=CCNC(=O)NC 512a_100020586998_100102657272 [0,0,0,0,0,0|2,0,2]=4 70 B7R0.3 C=CCNC(=O)NC 512a_106832991638_100020586998 [0,0,0,0,0,0|2,0,2]=4 71 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [0,0,0,0,0,0|1,0,2]=3 72 B7R0.3 CC#CCC(=O)CO 1458a_100000210174_100000748600 [0,0,0,0,0,0|2,0,2]=4 73 B7R0.3 CC(CCCCl)O[13CH3] 34a_200000718107_200025704644 [0,0,0,0,0,0|2,0,1]=3 74 B7R0.3 CC(CCCCl)O[13CH3] 7a_200000718107_200025704644 [0,0,0,0,0,0|2,0,1]=3 75 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [0,0,0,0,0,0|1,0,2]=3 76 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [0,0,0,0,0,0|1,0,2]=3 77 B7R0.3 CC=CCC(=O)CF 1458a_100121576822_100015361967 [0,0,0,0,0,0|2,0,2]=4 78 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [0,0,0,0,0,0|2,0,2]=4 79 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [0,0,0,0,0,0|1,0,2]=3 80 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [0,0,0,0,0,0|1,0,2]=3 81 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [0,0,0,0,0,0|1,0,2]=3 82 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [0,0,0,0,0,0|1,0,2]=3 83 B7R0.3 CC=NNC(=O)CC 4a_100000183195_200000210099 [0,0,0,0,0,0|3,0,1]=4 84 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [0,0,0,0,0,0|1,0,2]=3 85 B7R0.3 CCC#CC(=O)CF 1458a_100011827653_100015361967 [0,0,0,0,0,0|2,0,2]=4 86 B7R0.3 CCC#CC(C)OC 34a_100000033903_200000210301 [0,0,0,0,0,0|1,0,3]=4 87 B7R0.3 CCC#CC(C)OC 7a_100000033903_200000210301 [0,0,0,0,0,0|1,0,3]=4 88 B7R0.3 CCC#CC(C)O[13CH3] 34a_100000033903_200025704644 [0,0,0,0,0,0|1,0,3]=4 89 B7R0.3 CCC#CC(C)O[13CH3] 7a_100000033903_200025704644 [0,0,0,0,0,0|1,0,3]=4 90 B7R0.3 CCC(=O)C#CCO 1458a_100000049017_100000210202 [0,0,0,0,0,0|2,0,2]=4 91 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [0,0,0,0,0,0|2,0,2]=4 92 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [0,0,0,0,0,0|2,0,1]=3 93 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [0,0,0,0,0,0|2,0,1]=3 94 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [0,0,0,0,0,0|2,0,0]=2 95 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [0,0,0,0,0,0|2,0,0]=2 96 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [0,0,0,0,0,0|2,0,0]=2 97 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [0,0,0,0,0,0|2,0,0]=2 98 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [0,0,0,0,0,0|2,0,0]=2 99 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [0,0,0,0,0,0|2,0,0]=2 100 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [0,0,0,0,0,0|3,0,0]=3 101 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [0,0,0,0,0,0|3,0,0]=3 102 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [0,0,0,0,0,0|3,0,0]=3 103 B7R0.3 CCC(=O)NCC#N 1626a_100000734998_100000210414 [0,0,0,0,0,0|3,0,1]=4 104 B7R0.3 CCC(=O)NCC#N 527a_100000734998_100000210414 [0,0,0,0,0,0|3,0,1]=4 105 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [0,0,0,0,0,0|3,0,0]=3 106 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [0,0,0,0,0,0|3,0,0]=3 107 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [0,0,0,0,0,0|3,0,0]=3 108 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [0,0,0,0,0,0|3,0,0]=3 109 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [0,0,0,0,0,0|3,0,0]=3 110 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [0,0,0,0,0,0|3,0,0]=3 111 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [0,0,0,0,0,0|3,0,1]=4 112 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [0,0,0,0,0,0|3,0,1]=4 113 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [0,0,0,0,0,0|3,0,1]=4 114 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [0,0,0,0,0,0|3,0,1]=4 115 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [0,0,0,0,0,0|1,0,2]=3 116 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [0,0,0,0,0,0|2,0,2]=4 117 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [0,0,0,0,0,0|1,0,2]=3 118 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [0,0,0,0,0,0|1,0,2]=3 119 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [0,0,0,0,0,0|1,0,2]=3 120 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [0,0,0,0,0,0|1,0,0]=1 121 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [0,0,0,0,0,0|1,0,0]=1 122 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [0,0,0,0,0,0|2,0,0]=2 123 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [0,0,0,0,0,0|2,0,0]=2 124 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [0,0,0,0,0,0|1,0,0]=1 125 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [0,0,0,0,0,0|1,0,0]=1 126 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [0,0,0,0,0,0|1,0,0]=1 127 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [0,0,0,0,0,0|1,0,0]=1 128 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [0,0,0,0,0,0|2,0,1]=3 129 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [0,0,0,0,0,0|2,0,1]=3 130 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [0,0,0,0,0,0|2,0,1]=3 131 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [0,0,0,0,0,0|2,0,1]=3 132 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [0,0,0,0,0,0|2,0,1]=3 133 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [0,0,0,0,0,0|2,0,1]=3 134 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [0,0,0,0,0,0|1,0,1]=2 135 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [0,0,0,0,0,0|1,0,1]=2 136 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [0,0,0,0,0,0|1,0,1]=2 137 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [0,0,0,0,0,0|1,0,1]=2 138 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [0,0,0,0,0,0|1,0,1]=2 139 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [0,0,0,0,0,0|1,1,1]=3 140 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [0,0,0,0,0,0|1,1,1]=3 141 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [0,0,0,0,0,0|1,1,1]=3 142 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [0,0,0,0,0,0|1,1,1]=3 143 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [0,0,0,0,0,0|3,0,0]=3 144 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [0,0,0,0,0,0|3,0,0]=3 145 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [0,0,0,0,0,0|3,0,0]=3 146 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [0,0,0,0,0,0|3,0,0]=3 147 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [0,0,0,0,0,0|3,0,0]=3 148 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [0,0,0,0,0,0|3,0,0]=3 149 B7R0.3 CCCCN(C)CF 269982a_100000207549_100015361967 [0,0,0,0,0,0|4,0,0]=4 150 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [0,0,0,0,0,0|3,0,0]=3 151 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [0,0,0,0,0,0|3,0,0]=3 152 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [0,0,0,0,0,0|2,0,0]=2 153 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [0,0,0,0,0,0|2,0,0]=2 154 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [0,0,0,0,0,0|2,0,0]=2 155 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [0,0,0,0,0,0|2,0,0]=2 156 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [0,0,0,0,0,0|3,0,0]=3 157 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [0,0,0,0,0,0|3,0,0]=3 158 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [0,0,0,0,0,0|2,0,0]=2 159 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [0,0,0,0,0,0|2,0,0]=2 160 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [0,0,0,0,0,0|2,0,0]=2 161 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [0,0,0,0,0,0|2,0,0]=2 162 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [0,0,0,0,0,0|2,0,0]=2 163 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [0,0,0,0,0,0|2,0,0]=2 164 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [0,0,0,0,0,0|3,0,1]=4 165 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [0,0,0,0,0,0|3,0,1]=4 166 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [0,0,0,0,0,0|3,0,1]=4 167 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [0,0,0,0,0,0|3,0,1]=4 168 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [0,0,0,0,0,0|3,0,1]=4 169 B7R0.3 CCCSC(C)OC 62a_100000210303_100009879195 [0,0,0,0,0,0|2,0,1]=3 170 B7R0.3 CCCSC(C)OC 62a_100009879195_100000210303 [0,0,0,0,0,0|2,0,1]=3 171 B7R0.3 CCN(C)CCCF 2230a_100000225621_100011934791 [0,0,0,0,0,0|4,0,0]=4 172 B7R0.3 CCN(C)CCCF 269982a_100000225621_100011934791 [0,0,0,0,0,0|4,0,0]=4 173 B7R0.3 CCN(C)CCCO 2230a_100000213112_100000210202 [0,0,0,0,0,0|4,0,0]=4 174 B7R0.3 CCN(C)CCCO 2230a_100000225621_100000230001 [0,0,0,0,0,0|4,0,0]=4 175 B7R0.3 CCN(C)CCCO 269982a_100000213112_100000204670 [0,0,0,0,0,0|4,0,0]=4 176 B7R0.3 CCN(C)CCCO 269982a_100000225621_100011215043 [0,0,0,0,0,0|4,0,0]=4 177 B7R0.3 CCN(C)CCOC 2230a_100000225621_100011201679 [0,0,0,0,0,0|4,0,0]=4 178 B7R0.3 CCN(C)CCOC 2230a_100000731262_200000210301 [0,0,0,0,0,0|4,0,0]=4 179 B7R0.3 CCN(C)CCOC 2230a_100000743101_100000210202 [0,0,0,0,0,0|4,0,0]=4 180 B7R0.3 CCN(C)CCOC 269982a_100000225621_100000233755 [0,0,0,0,0,0|4,0,0]=4 181 B7R0.3 CCN(C)CCOC 269982a_100000731262_200000210301 [0,0,0,0,0,0|4,0,0]=4 182 B7R0.3 CCN(C)CCOC 269982a_100000743101_100000204670 [0,0,0,0,0,0|4,0,0]=4 183 B7R0.3 CCN(C)CCSC 2230a_100000225621_100000751147 [0,0,0,0,0,0|4,0,0]=4 184 B7R0.3 CCN(C)CCSC 2230a_100000686725_100000210202 [0,0,0,0,0,0|4,0,0]=4 185 B7R0.3 CCN(C)CCSC 269982a_100000225621_100000212216 [0,0,0,0,0,0|4,0,0]=4 186 B7R0.3 CCN(C)CCSC 269982a_100000686725_100000204670 [0,0,0,0,0,0|4,0,0]=4 187 B7R0.3 CCN([13CH3])CCOC 2230a_100000731262_200025704644 [0,0,0,0,0,0|4,0,0]=4 188 B7R0.3 CCN([13CH3])CCOC 269982a_100000731262_200025704644 [0,0,0,0,0,0|4,0,0]=4 189 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [0,0,0,0,0,0|2,0,0]=2 190 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [0,0,0,0,0,0|2,0,0]=2 191 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [0,0,0,0,0,0|1,0,0]=1 192 B7R0.3 CCNCC(C)CC 2230a_100015525214_100000748023 [0,0,0,0,0,0|3,0,1]=4 193 B7R0.3 CCNCC(C)CC 2230a_100020588543_100000210202 [0,0,0,0,0,0|3,0,1]=4 194 B7R0.3 CCNCC(C)CC 270004a_100015525214_100000243153 [0,0,0,0,0,0|3,0,1]=4 195 B7R0.3 CCNCC(O)CC 2230a_100011218483_100000210202 [0,0,0,0,0,0|2,0,2]=4 196 B7R0.3 CCNCC(O)CC 2230a_100015525214_100011218378 [0,0,0,0,0,0|2,0,2]=4 197 B7R0.3 CCNC[C@@H](C)CC 2230a_100015525214_100009816398 [0,0,0,0,0,0|3,0,1]=4 198 B7R0.3 CCNC[C@@H](C)OC 2230a_100020591295_100000210202 [0,0,0,0,0,0|2,0,1]=3 199 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [0,0,0,0,0,0|3,0,0]=3 200 B7R0.3 CCNNC(=O)CO 22a_100000756455_100000210174 [0,0,0,0,0,0|4,0,0]=4 201 B7R0.3 CCNNC(=O)NC 273464a_100102657272_100000756455 [0,0,0,0,0,0|3,0,0]=3 202 B7R0.3 CCNNC(=O)NC 512a_100000756455_100102657272 [0,0,0,0,0,0|3,0,0]=3 203 B7R0.3 CCNNC(=O)NC 512a_106832991638_100000756455 [0,0,0,0,0,0|3,0,0]=3 204 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [0,0,0,0,0,0|2,0,0]=2 205 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [0,0,0,0,0,0|2,0,0]=2 206 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [0,0,0,0,0,0|3,0,0]=3 207 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [0,0,0,0,0,0|2,0,0]=2 208 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [0,0,0,0,0,0|2,0,0]=2 209 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [0,0,0,0,0,0|2,0,0]=2 210 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [0,0,0,0,0,0|2,0,0]=2 211 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [0,0,0,0,0,0|2,0,0]=2 212 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [0,0,0,0,0,0|2,0,0]=2 213 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [0,0,0,0,0,0|1,0,0]=1 214 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [0,0,0,0,0,0|3,0,1]=4 215 B7R0.3 CCOCC(C)OC 34a_100000690652_100000210202 [0,0,0,0,0,0|2,0,1]=3 216 B7R0.3 CCOCC(C)OC 34a_100000718985_200000210301 [0,0,0,0,0,0|2,0,1]=3 217 B7R0.3 CCOCC(C)OC 7a_100000718985_200000210301 [0,0,0,0,0,0|2,0,1]=3 218 B7R0.3 CCOCC(C)O[13CH3] 34a_100000718985_200025704644 [0,0,0,0,0,0|2,0,1]=3 219 B7R0.3 CCOCC(C)O[13CH3] 7a_100000718985_200025704644 [0,0,0,0,0,0|2,0,1]=3 220 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [0,0,0,0,0,0|2,0,2]=4 221 B7R0.3 CCOCN(C)CC 269982a_100000225621_100000739092 [0,0,0,0,0,0|4,0,0]=4 222 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [0,0,0,0,0,0|3,0,1]=4 223 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [0,0,0,0,0,0|3,0,1]=4 224 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [0,0,0,0,0,0|2,0,0]=2 225 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [0,0,0,0,0,0|2,0,0]=2 226 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [0,0,0,0,0,0|2,0,0]=2 227 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [0,0,0,0,0,0|3,0,0]=3 228 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [0,0,0,0,0,0|2,0,0]=2 229 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [0,0,0,0,0,0|2,0,0]=2 230 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [0,0,0,0,0,0|2,0,0]=2 231 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [0,0,0,0,0,0|2,0,0]=2 232 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [0,0,0,0,0,0|2,0,0]=2 233 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [0,0,0,0,0,0|2,0,0]=2 234 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [0,0,0,0,0,0|1,0,0]=1 235 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [0,0,0,0,0,0|1,0,0]=1 236 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [0,0,0,0,0,0|3,0,1]=4 237 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [0,0,0,0,0,0|3,0,1]=4 238 B7R0.3 CCSCC(C)NC 270004a_106832991635_200011216171 [0,0,0,0,0,0|3,0,1]=4 239 B7R0.3 CCSCC(O)CC 62a_100000210202_100011218378 [0,0,0,0,0,0|2,0,2]=4 240 B7R0.3 CCSCC(O)CC 62a_100011218378_100000210202 [0,0,0,0,0,0|2,0,2]=4 241 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [0,0,0,0,0,0|3,0,1]=4 242 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [0,0,0,0,0,0|3,0,1]=4 243 B7R0.3 CNC(=O)C=COC 1626a_100102657272_100016268678 [0,0,0,0,0,0|2,0,2]=4 244 B7R0.3 CNC(=O)C=COC 240690a_100102657272_100016268678 [0,0,0,0,0,0|2,0,2]=4 245 B7R0.3 CNC(=O)CCC#N 11a_106832991635_100011934036 [0,0,0,0,0,0|2,0,1]=3 246 B7R0.3 CNC(=O)CCC#N 1626a_100102657272_100011934036 [0,0,0,0,0,0|2,0,1]=3 247 B7R0.3 CNC(=O)CCC#N 240690a_100102657272_100011934036 [0,0,0,0,0,0|2,0,1]=3 248 B7R0.3 CNC(=O)CCC#N 527a_100102657272_100011934036 [0,0,0,0,0,0|2,0,1]=3 249 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [0,0,0,0,0,0|2,0,0]=2 250 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [0,0,0,0,0,0|2,0,0]=2 251 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [0,0,0,0,0,0|2,0,0]=2 252 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [0,0,0,0,0,0|2,0,0]=2 253 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [0,0,0,0,0,0|2,0,0]=2 254 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [0,0,0,0,0,0|2,0,0]=2 255 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [0,0,0,0,0,0|2,0,0]=2 256 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [0,0,0,0,0,0|2,0,0]=2 257 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [0,0,0,0,0,0|2,0,0]=2 258 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [0,0,0,0,0,0|2,0,0]=2 259 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [0,0,0,0,0,0|2,0,0]=2 260 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [0,0,0,0,0,0|2,0,0]=2 261 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [0,0,0,0,0,0|2,0,0]=2 262 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [0,0,0,0,0,0|2,0,0]=2 263 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [0,0,0,0,0,0|2,0,0]=2 264 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [0,0,0,0,0,0|2,0,0]=2 265 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [0,0,0,0,0,0|2,0,0]=2 266 B7R0.3 CNC(=O)CN=[N+]=[N-] 11a_106832991635_100000751907 [0,0,0,0,0,0|4,0,0]=4 267 B7R0.3 CNC(=O)CN=[N+]=[N-] 240690a_100102657272_100000751907 [0,0,0,0,0,0|4,0,0]=4 268 B7R0.3 CNC(=O)COCF 34a_100000750040_100015361967 [0,0,0,0,0,0|3,0,0]=3 269 B7R0.3 CNC(=O)CSCF 62a_100000183359_100015361967 [0,0,0,0,0,0|3,0,0]=3 270 B7R0.3 CNC(=O)CSCF 62a_100015361967_100000183359 [0,0,0,0,0,0|3,0,0]=3 271 B7R0.3 CNC(=O)NCC#N 2708a_100000734998_106832991635 [0,0,0,0,0,0|3,0,1]=4 272 B7R0.3 CNC(=O)NCC#N 273464a_100000734998_100102657272 [0,0,0,0,0,0|3,0,1]=4 273 B7R0.3 CNC(=O)NCC#N 273464a_100102657272_100000734998 [0,0,0,0,0,0|3,0,1]=4 274 B7R0.3 CNC(=O)NCC#N 512a_100000734998_100102657272 [0,0,0,0,0,0|3,0,1]=4 275 B7R0.3 CNC(=O)NCC#N 512a_106832991638_100000734998 [0,0,0,0,0,0|3,0,1]=4 276 B7R0.3 CNC(=O)NCCF 2708a_100102657272_100000724931 [0,0,0,0,0,0|3,0,0]=3 277 B7R0.3 CNC(=O)NCCF 273464a_100000724931_100102657272 [0,0,0,0,0,0|3,0,0]=3 278 B7R0.3 CNC(=O)NCCF 273464a_100102657272_100000724931 [0,0,0,0,0,0|3,0,0]=3 279 B7R0.3 CNC(=O)NCCF 512a_106832991638_100000724931 [0,0,0,0,0,0|3,0,0]=3 280 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [0,0,0,0,0,0|3,0,0]=3 281 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [0,0,0,0,0,0|3,0,0]=3 282 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [0,0,0,0,0,0|3,0,0]=3 283 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [0,0,0,0,0,0|3,0,0]=3 284 B7R0.3 CNC(C)CCOC 270004a_106832991635_100000742357 [0,0,0,0,0,0|3,0,1]=4 285 B7R0.3 CNC(C)CCSC 270004a_106832991635_100011217047 [0,0,0,0,0,0|3,0,1]=4 286 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [0,0,0,0,0,0|2,0,0]=2 287 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [0,0,0,0,0,0|2,0,0]=2 288 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [0,0,0,0,0,0|2,0,0]=2 289 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [0,0,0,0,0,0|2,0,0]=2 290 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [0,0,0,0,0,0|2,0,0]=2 291 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [0,0,0,0,0,0|1,0,0]=1 292 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [0,0,0,0,0,0|1,0,0]=1 293 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [0,0,0,0,0,0|1,0,0]=1 294 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [0,0,0,0,0,0|1,0,0]=1 295 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [0,0,0,0,0,0|1,0,0]=1 296 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [0,0,0,0,0,0|1,0,0]=1 297 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [0,0,0,0,0,0|1,0,0]=1 298 B7R0.3 COC(=O)CSCF 62a_100000747449_100015361967 [0,0,0,0,0,0|2,0,0]=2 299 B7R0.3 COC(=O)CSCF 62a_100015361967_100000747449 [0,0,0,0,0,0|2,0,0]=2 300 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [0,0,0,0,0,0|2,0,0]=2 301 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [0,0,0,0,0,0|2,0,0]=2 302 B7R0.3 COC(C)CCCCl 34a_200000718107_200000210301 [0,0,0,0,0,0|2,0,1]=3 303 B7R0.3 COC(C)CCCCl 7a_200000718107_200000210301 [0,0,0,0,0,0|2,0,1]=3 304 B7R0.3 COC(C)CCO[13CH3] 7a_100000764861_200025704644 [0,0,0,0,0,0|2,0,1]=3 305 B7R0.3 COC(C)COCF 34a_100000690652_100015361967 [0,0,0,0,0,0|3,0,1]=4 306 B7R0.3 COC(C)SCCF 62a_100009879195_100011217306 [0,0,0,0,0,0|3,0,1]=4 307 B7R0.3 COC(C)SCCF 62a_100011217306_100009879195 [0,0,0,0,0,0|3,0,1]=4 308 B7R0.3 COC(C)SCCO 62a_100000211926_100009879195 [0,0,0,0,0,0|3,0,1]=4 309 B7R0.3 COC(C)SCCO 62a_100009879195_100000211926 [0,0,0,0,0,0|3,0,1]=4 310 B7R0.3 COC(C)SCSC 62a_100009879195_100011218213 [0,0,0,0,0,0|3,0,1]=4 311 B7R0.3 COC(C)SCSC 62a_100011218213_100009879195 [0,0,0,0,0,0|3,0,1]=4 312 B7R0.3 COCCC(=NO)N 34a_100000749954_200000210301 [0,0,0,0,0,0|4,0,0]=4 313 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [0,0,0,0,0,0|3,0,0]=3 314 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [0,0,0,0,0,0|3,0,0]=3 315 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [0,0,0,0,0,0|1,0,0]=1 316 B7R0.3 COCCC(C)OC 7a_100000764861_200000210301 [0,0,0,0,0,0|2,0,1]=3 317 B7R0.3 COCSC(C)OC 62a_100000766300_100009879195 [0,0,0,0,0,0|3,0,1]=4 318 B7R0.3 COCSC(C)OC 62a_100009879195_100000766300 [0,0,0,0,0,0|3,0,1]=4 319 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [0,0,0,0,0,0|3,0,0]=3 320 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [0,0,0,0,0,0|3,0,0]=3 321 B7R0.3 N#CCCC(=O)CF 1458a_100011934036_100015361967 [0,0,0,0,0,0|3,0,1]=4 322 B7R0.3 N#CCCC(=O)CO 1458a_100000210174_100011215226 [0,0,0,0,0,0|3,0,1]=4 323 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [0,0,0,0,0,0|3,0,0]=3 324 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [0,0,0,0,0,0|3,0,0]=3 325 B7R0.3 O=C(CO)NCCF 240690a_100000724931_100000210174 [0,0,0,0,0,0|4,0,0]=4 326 B7R0.3 O=C(CO)NCCF 527a_100000724931_100000210174 [0,0,0,0,0,0|4,0,0]=4 327 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [0,0,0,0,0,0|4,0,0]=4 328 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [0,0,0,0,0,0|4,0,0]=4 329 B7R0.3 [13CH3]OCCC(=NO)N 34a_100000749954_200025704644 [0,0,0,0,0,0|4,0,0]=4 330 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [1,0,0,0,0,0|1,0,1]=3 331 B6R0.1 C#CC(=O)CCF 1458a_100000211873_100011217306 [1,0,0,0,0,0|2,0,1]=4 332 B6R0.1 C#CC(=O)CCO 1458a_100000211873_100000211926 [1,0,0,0,0,0|2,0,1]=4 333 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [1,0,0,0,0,0|1,0,2]=4 334 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [1,0,0,0,0,0|1,0,2]=4 335 B6R0.1 C#CCC(=O)NC 1626a_100102657272_100011220946 [1,0,0,0,0,0|1,0,2]=4 336 B6R0.1 C#CCC(=O)NC 527a_100102657272_100011220946 [1,0,0,0,0,0|1,0,2]=4 337 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [1,0,0,0,0,0|1,0,1]=3 338 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [1,0,0,0,0,0|2,0,1]=4 339 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [1,0,0,0,0,0|2,0,1]=4 340 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [1,0,0,0,0,0|2,0,1]=4 341 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [1,0,0,0,0,0|1,0,2]=4 342 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [1,0,0,0,0,0|1,0,2]=4 343 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [1,0,0,0,0,0|1,0,2]=4 344 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [1,0,0,0,0,0|1,0,2]=4 345 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [1,0,0,0,0,0|1,0,2]=4 346 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [1,0,0,0,0,0|1,0,2]=4 347 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [1,0,0,0,0,0|1,0,2]=4 348 B6R0.1 CC(CCBr)O[13CH3] 34a_100012276601_200025704644 [1,0,0,0,0,0|2,0,1]=4 349 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [1,0,0,0,0,0|1,0,2]=4 350 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [1,0,0,0,0,0|1,0,2]=4 351 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [1,0,0,0,0,0|1,0,2]=4 352 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [1,0,0,0,0,0|1,0,2]=4 353 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [1,0,0,0,0,0|2,0,1]=4 354 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [1,0,0,0,0,0|2,0,1]=4 355 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [1,0,0,0,0,0|2,0,0]=3 356 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [1,0,0,0,0,0|2,0,0]=3 357 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [1,0,0,0,0,0|2,0,0]=3 358 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [1,0,0,0,0,0|2,0,0]=3 359 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [1,0,0,0,0,0|2,0,0]=3 360 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [1,0,0,0,0,0|2,0,0]=3 361 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [1,0,0,0,0,0|2,0,0]=3 362 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [1,0,0,0,0,0|2,0,0]=3 363 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [1,0,0,0,0,0|2,0,0]=3 364 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [1,0,0,0,0,0|2,0,0]=3 365 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [1,0,0,0,0,0|2,0,0]=3 366 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [1,0,0,0,0,0|2,0,0]=3 367 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [1,0,0,0,0,0|3,0,0]=4 368 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [1,0,0,0,0,0|1,0,0]=2 369 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [1,0,0,0,0,0|1,0,0]=2 370 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [1,0,0,0,0,0|2,0,0]=3 371 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [1,0,0,0,0,0|2,0,0]=3 372 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [1,0,0,0,0,0|1,0,0]=2 373 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [1,0,0,0,0,0|1,0,0]=2 374 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [1,0,0,0,0,0|1,0,0]=2 375 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [1,0,0,0,0,0|1,0,0]=2 376 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [1,0,0,0,0,0|2,0,1]=4 377 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [1,0,0,0,0,0|2,0,1]=4 378 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [1,0,0,0,0,0|2,0,1]=4 379 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [1,0,0,0,0,0|2,0,1]=4 380 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [1,0,0,0,0,0|2,0,1]=4 381 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [1,0,0,0,0,0|2,0,1]=4 382 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [1,0,0,0,0,0|1,0,1]=3 383 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [1,0,0,0,0,0|1,0,1]=3 384 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [1,0,0,0,0,0|1,0,1]=3 385 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [1,0,0,0,0,0|1,0,1]=3 386 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [1,0,0,0,0,0|1,0,1]=3 387 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [1,0,0,0,0,0|1,1,1]=4 388 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [1,0,0,0,0,0|1,1,1]=4 389 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [1,0,0,0,0,0|1,1,1]=4 390 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [1,0,0,0,0,0|1,1,1]=4 391 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [1,0,0,0,0,0|3,0,0]=4 392 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [1,0,0,0,0,0|3,0,0]=4 393 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [1,0,0,0,0,0|3,0,0]=4 394 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [1,0,0,0,0,0|3,0,0]=4 395 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [1,0,0,0,0,0|3,0,0]=4 396 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [1,0,0,0,0,0|3,0,0]=4 397 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [1,0,0,0,0,0|3,0,0]=4 398 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [1,0,0,0,0,0|3,0,0]=4 399 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [1,0,0,0,0,0|2,0,0]=3 400 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [1,0,0,0,0,0|2,0,0]=3 401 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [1,0,0,0,0,0|2,0,0]=3 402 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [1,0,0,0,0,0|3,0,0]=4 403 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [1,0,0,0,0,0|3,0,0]=4 404 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [1,0,0,0,0,0|2,0,0]=3 405 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [1,0,0,0,0,0|2,0,0]=3 406 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [1,0,0,0,0,0|2,0,0]=3 407 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [1,0,0,0,0,0|2,0,0]=3 408 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [1,0,0,0,0,0|2,0,0]=3 409 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [1,0,0,0,0,0|2,0,0]=3 410 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [1,0,0,0,0,0|2,0,1]=4 411 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [1,0,0,0,0,0|2,0,1]=4 412 B6R0.1 CNC(=O)CC#N 1626a_100102657272_100051588842 [1,0,0,0,0,0|2,0,1]=4 413 B6R0.1 CNC(=O)CC#N 240690a_100102657272_100051588842 [1,0,0,0,0,0|2,0,1]=4 414 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [1,0,0,0,0,0|2,0,0]=3 415 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [1,0,0,0,0,0|2,0,0]=3 416 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [1,0,0,0,0,0|2,0,0]=3 417 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [1,0,0,0,0,0|2,0,0]=3 418 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [1,0,0,0,0,0|2,0,0]=3 419 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [1,0,0,0,0,0|2,0,0]=3 420 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [1,0,0,0,0,0|2,0,0]=3 421 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [1,0,0,0,0,0|2,0,0]=3 422 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [1,0,0,0,0,0|2,0,0]=3 423 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [1,0,0,0,0,0|2,0,0]=3 424 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [1,0,0,0,0,0|2,0,0]=3 425 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [1,0,0,0,0,0|2,0,0]=3 426 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [1,0,0,0,0,0|2,0,0]=3 427 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [1,0,0,0,0,0|2,0,0]=3 428 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [1,0,0,0,0,0|2,0,0]=3 429 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [1,0,0,0,0,0|2,0,0]=3 430 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [1,0,0,0,0,0|2,0,0]=3 431 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [1,0,0,0,0,0|2,0,0]=3 432 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [1,0,0,0,0,0|2,0,0]=3 433 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [1,0,0,0,0,0|2,0,0]=3 434 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [1,0,0,0,0,0|2,0,0]=3 435 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [1,0,0,0,0,0|1,0,0]=2 436 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [1,0,0,0,0,0|1,0,0]=2 437 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [1,0,0,0,0,0|1,0,0]=2 438 B6R0.1 CNC[C@@H](C)OC 2230a_100020591295_200000210301 [1,0,0,0,0,0|2,0,1]=4 439 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [1,0,0,0,0,0|3,0,0]=4 440 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [1,0,0,0,0,0|3,0,0]=4 441 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [1,0,0,0,0,0|3,0,0]=4 442 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [1,0,0,0,0,0|1,0,0]=2 443 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [1,0,0,0,0,0|1,0,0]=2 444 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [1,0,0,0,0,0|1,0,0]=2 445 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [1,0,0,0,0,0|1,0,0]=2 446 B6R0.1 COC(C)CCBr 34a_100012276601_200000210301 [1,0,0,0,0,0|2,0,1]=4 447 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [1,0,0,0,0,0|2,0,1]=4 448 B6R0.1 COC(C)CO[13CH3] 34a_100000690652_200025704644 [1,0,0,0,0,0|2,0,1]=4 449 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [1,0,0,0,0,0|3,0,0]=4 450 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [1,0,0,0,0,0|1,0,0]=2 451 B6R0.1 COCC(C)OC 34a_100000690652_200000210301 [1,0,0,0,0,0|2,0,1]=4 452 B6R0.1 COCC(C)OC 34a_100138415774_100000765312 [1,0,0,0,0,0|2,0,1]=4 453 B6R0.1 COC[C@@H](C)OC 34a_100011934205_200000210301 [1,0,0,0,0,0|2,0,1]=4 454 B6R0.1 COC[C@@H](C)O[13CH3] 34a_100011934205_200025704644 [1,0,0,0,0,0|2,0,1]=4 455 B6R0.1 CO[C@H](C)CN[13CH3] 2230a_100020591295_200025704644 [1,0,0,0,0,0|2,0,1]=4 456 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [1,0,0,0,0,0|3,0,0]=4 457 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [1,0,0,0,0,0|3,0,0]=4 458 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [1,0,0,0,0,0|3,0,0]=4 459 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [1,0,0,0,0,0|3,0,0]=4 460 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [1,0,0,0,0,0|0,0,2]=3 461 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [1,0,0,0,0,0|0,0,2]=3 462 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [1,0,0,0,0,0|0,0,2]=3 463 B6R0.4 C#CCNC(=O)C 11a_100000212058_100015343762 [1,0,0,0,0,0|1,0,2]=4 464 B6R0.4 C#CCNC(=O)C 1626a_100000212058_100015343762 [1,0,0,0,0,0|1,0,2]=4 465 B6R0.4 C#CCNC(=O)C 240690a_100000212058_100015343762 [1,0,0,0,0,0|1,0,2]=4 466 B6R0.4 C#CCNC(=O)C 527a_100000212058_100103153847 [1,0,0,0,0,0|1,0,2]=4 467 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,0,0,0,0,0|0,0,2]=3 468 B6R0.4 C=C(Br)CCOC 34a_100009813270_200000210301 [1,0,0,0,0,0|2,0,1]=4 469 B6R0.4 C=C(Br)CCO[13CH3] 34a_100009813270_200025704644 [1,0,0,0,0,0|2,0,1]=4 470 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [1,0,0,0,0,0|2,0,0]=3 471 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [1,0,0,0,0,0|2,0,0]=3 472 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [1,0,0,0,0,0|2,0,0]=3 473 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [1,0,0,0,0,0|2,0,0]=3 474 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [1,0,0,0,0,0|2,0,0]=3 475 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [1,0,0,0,0,0|2,0,0]=3 476 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [1,0,0,0,0,0|2,0,0]=3 477 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [1,0,0,0,0,0|2,0,0]=3 478 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [1,0,0,0,0,0|2,0,0]=3 479 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [1,0,0,0,0,0|2,0,0]=3 480 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [1,0,0,0,0,0|2,0,0]=3 481 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [1,0,0,0,0,0|2,0,0]=3 482 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [1,0,0,0,0,0|2,0,0]=3 483 B6R0.4 C=C(C)COCF 34a_100000210245_100015361967 [1,0,0,0,0,0|3,0,0]=4 484 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [1,0,0,0,0,0|2,0,0]=3 485 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [1,0,0,0,0,0|2,0,0]=3 486 B6R0.4 C=C(C)CSCF 62a_100000748629_100015361967 [1,0,0,0,0,0|3,0,0]=4 487 B6R0.4 C=C(C)CSCF 62a_100015361967_100000211660 [1,0,0,0,0,0|3,0,0]=4 488 B6R0.4 C=C(F)CNCC 2230a_100015525214_100009893438 [1,0,0,0,0,0|2,0,1]=4 489 B6R0.4 C=C(F)COCC 34a_100121572206_100009893438 [1,0,0,0,0,0|2,0,1]=4 490 B6R0.4 C=C(F)COCC 34a_200010262243_100000210202 [1,0,0,0,0,0|2,0,1]=4 491 B6R0.4 C=C(F)CSCC 62a_100000042424_100000210202 [1,0,0,0,0,0|2,0,1]=4 492 B6R0.4 C=C(F)CSCC 62a_100000210202_100000042424 [1,0,0,0,0,0|2,0,1]=4 493 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [1,0,0,0,0,0|0,0,2]=3 494 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [1,0,0,0,0,0|0,0,2]=3 495 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [1,0,0,0,0,0|0,0,2]=3 496 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [1,0,0,0,0,0|1,0,2]=4 497 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [1,0,0,0,0,0|1,0,2]=4 498 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [1,0,0,0,0,0|1,0,2]=4 499 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [1,0,0,0,0,0|0,0,2]=3 500 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [1,0,0,0,0,0|2,0,1]=4 501 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [1,0,0,0,0,0|2,0,1]=4 502 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [1,0,0,0,0,0|2,0,1]=4 503 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [1,0,0,0,0,0|2,0,1]=4 504 B6R0.4 CC(=O)C#CCO 1458a_100000049017_200000210301 [1,0,0,0,0,0|1,0,2]=4 505 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [1,0,0,0,0,0|1,0,1]=3 506 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [1,0,0,0,0,0|1,0,1]=3 507 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [1,0,0,0,0,0|1,0,0]=2 508 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,0,0,0,0,0|1,0,0]=2 509 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,0,0,0,0,0|1,0,0]=2 510 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,0,0,0,0,0|1,0,0]=2 511 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,0,0,0,0,0|1,0,0]=2 512 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,0,0,0,0,0|1,0,0]=2 513 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [1,0,0,0,0,0|2,0,0]=3 514 B6R0.4 CC(=O)NCC#N 1626a_100000734998_100015343762 [1,0,0,0,0,0|2,0,1]=4 515 B6R0.4 CC(=O)NCC#N 527a_100000734998_100103153847 [1,0,0,0,0,0|2,0,1]=4 516 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [1,0,0,0,0,0|2,0,0]=3 517 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [1,0,0,0,0,0|2,0,0]=3 518 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [1,0,0,0,0,0|2,0,0]=3 519 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [1,0,0,0,0,0|2,0,0]=3 520 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,0,0,0,0,0|2,0,0]=3 521 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,0,0,0,0,0|2,0,0]=3 522 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [1,0,0,0,0,0|2,0,0]=3 523 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [1,0,0,0,0,0|2,0,0]=3 524 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [1,0,0,0,0,0|2,0,1]=4 525 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [1,0,0,0,0,0|2,0,1]=4 526 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [1,0,0,0,0,0|2,0,1]=4 527 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [1,0,0,0,0,0|2,0,1]=4 528 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [1,0,0,0,0,0|2,0,1]=4 529 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [1,0,0,0,0,0|1,0,2]=4 530 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [1,0,0,0,0,0|1,0,2]=4 531 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [1,0,0,0,0,0|1,0,2]=4 532 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,0,0,0,0,0|0,0,2]=3 533 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,0,0,0,0,0|0,0,2]=3 534 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,0,0,0,0,0|0,0,2]=3 535 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [1,0,0,0,0,0|2,0,1]=4 536 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [1,0,0,0,0,0|0,0,2]=3 537 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [1,0,0,0,0,0|0,0,2]=3 538 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,0,0,0,0,0|0,0,2]=3 539 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,0,0,0,0,0|0,0,2]=3 540 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,0,0,0,0,0|0,0,0]=1 541 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,0,0,0,0,0|0,0,0]=1 542 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,0,0,0,0,0|0,0,0]=1 543 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [1,0,0,0,0,0|2,0,0]=3 544 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [1,0,0,0,0,0|2,0,0]=3 545 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [1,0,0,0,0,0|2,0,0]=3 546 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [1,0,0,0,0,0|2,0,0]=3 547 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [1,0,0,0,0,0|2,0,0]=3 548 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [1,0,0,0,0,0|2,0,0]=3 549 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,0,0,0,0,0|1,0,0]=2 550 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,0,0,0,0,0|1,0,0]=2 551 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,0,0,0,0,0|1,0,0]=2 552 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,0,0,0,0,0|1,0,0]=2 553 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [1,0,0,0,0,0|2,0,1]=4 554 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [1,0,0,0,0,0|2,0,1]=4 555 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [1,0,0,0,0,0|2,0,1]=4 556 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [1,0,0,0,0,0|2,0,1]=4 557 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [1,0,0,0,0,0|2,0,1]=4 558 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [1,0,0,0,0,0|2,0,1]=4 559 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [1,0,0,0,0,0|2,0,0]=3 560 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [1,0,0,0,0,0|2,0,0]=3 561 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,0,0,0,0,0|1,0,0]=2 562 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [1,0,0,0,0,0|2,0,1]=4 563 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [1,0,0,0,0,0|2,0,1]=4 564 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [1,0,0,0,0,0|2,0,1]=4 565 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [1,0,0,0,0,0|2,0,1]=4 566 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [1,0,0,0,0,0|1,0,2]=4 567 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [1,0,0,0,0,0|1,0,2]=4 568 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [1,0,0,0,0,0|1,0,2]=4 569 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [1,0,0,0,0,0|1,0,2]=4 570 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [1,0,0,0,0,0|2,0,0]=3 571 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,0,0,0,0,0|1,0,0]=2 572 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,0,0,0,0,0|1,0,0]=2 573 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [1,0,0,0,0,0|2,0,0]=3 574 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,0,0,0,0,0|1,0,0]=2 575 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [1,0,0,0,0,0|1,0,1]=3 576 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [1,0,0,0,0,0|2,0,1]=4 577 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [1,0,0,0,0,0|2,0,1]=4 578 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [1,0,0,0,0,0|2,0,1]=4 579 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [1,0,0,0,0,0|2,0,1]=4 580 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [1,0,0,0,0,0|1,0,2]=4 581 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [1,0,0,0,0,0|3,0,0]=4 582 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [1,0,0,0,0,0|2,0,1]=4 583 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [1,0,0,0,0,0|2,0,1]=4 584 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [1,0,0,0,0,0|1,0,2]=4 585 B6R0.4 CCOC[N+](=O)[O-] 34a_100121572206_100000761209 [1,0,0,0,0,0|2,0,1]=4 586 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,0,0,0,0,0|1,0,0]=2 587 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [1,0,0,0,0,0|2,0,0]=3 588 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [1,0,0,0,0,0|2,0,0]=3 589 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,0,0,0,0,0|1,0,0]=2 590 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [1,0,0,0,0,0|1,0,1]=3 591 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [1,0,0,0,0,0|1,0,1]=3 592 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [1,0,0,0,0,0|2,0,1]=4 593 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [1,0,0,0,0,0|2,0,1]=4 594 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [1,0,0,0,0,0|1,0,2]=4 595 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [1,0,0,0,0,0|1,0,2]=4 596 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [1,0,0,0,0,0|1,0,2]=4 597 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [1,0,0,0,0,0|1,0,2]=4 598 B6R0.4 CCSC[N+](=O)[O-] 62a_100000210202_100000761209 [1,0,0,0,0,0|2,0,1]=4 599 B6R0.4 CN(C)CCCF 2230a_100102631434_100011934791 [1,0,0,0,0,0|3,0,0]=4 600 B6R0.4 CN(C)CCCF 269982a_100102631434_100011934791 [1,0,0,0,0,0|3,0,0]=4 601 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [1,0,0,0,0,0|3,0,0]=4 602 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [1,0,0,0,0,0|3,0,0]=4 603 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [1,0,0,0,0,0|3,0,0]=4 604 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [1,0,0,0,0,0|3,0,0]=4 605 B6R0.4 CN(C)CCS[13CH3] 62a_200025704644_100000755713 [1,0,0,0,0,0|3,0,0]=4 606 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [1,0,0,0,0,0|3,0,0]=4 607 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [1,0,0,0,0,0|3,0,0]=4 608 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [1,0,0,0,0,0|2,0,1]=4 609 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [1,0,0,0,0,0|2,0,1]=4 610 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [1,0,0,0,0,0|2,0,1]=4 611 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [1,0,0,0,0,0|2,0,1]=4 612 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,0,0,0,0,0|1,0,0]=2 613 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [1,0,0,0,0,0|2,0,0]=3 614 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [1,0,0,0,0,0|2,0,0]=3 615 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [1,0,0,0,0,0|2,0,0]=3 616 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [1,0,0,0,0,0|2,0,1]=4 617 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [1,0,0,0,0,0|2,0,1]=4 618 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [1,0,0,0,0,0|2,0,1]=4 619 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [1,0,0,0,0,0|2,0,1]=4 620 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [1,0,0,0,0,0|1,0,2]=4 621 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [1,0,0,0,0,0|1,0,2]=4 622 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [1,0,0,0,0,0|1,0,2]=4 623 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [1,0,0,0,0,0|1,0,2]=4 624 B6R0.4 CNCCN(C)C 7a_106832991635_100000755713 [1,0,0,0,0,0|3,0,0]=4 625 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [1,0,0,0,0,0|2,0,0]=3 626 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [1,0,0,0,0,0|2,0,0]=3 627 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [1,0,0,0,0,0|1,0,2]=4 628 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [1,0,0,0,0,0|1,0,2]=4 629 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [1,0,0,0,0,0|2,0,1]=4 630 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [1,0,0,0,0,0|2,0,1]=4 631 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,0,0,0,0,0|1,0,0]=2 632 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,0,0,0,0,0|1,0,0]=2 633 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,0,0,0,0,0|1,0,0]=2 634 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,0,0,0,0,0|1,0,0]=2 635 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [1,0,0,0,0,0|2,0,0]=3 636 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [1,0,0,0,0,0|2,0,0]=3 637 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [1,0,0,0,0,0|2,0,0]=3 638 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,0,0,0,0,0|1,0,0]=2 639 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [1,0,0,0,0,0|2,0,1]=4 640 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [1,0,0,0,0,0|2,0,1]=4 641 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [1,0,0,0,0,0|2,0,1]=4 642 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [1,0,0,0,0,0|2,0,1]=4 643 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [1,0,0,0,0,0|1,0,2]=4 644 B6R0.4 COCCN(C)C 2230a_100000743101_200000210301 [1,0,0,0,0,0|3,0,0]=4 645 B6R0.4 COCCN(C)C 2230a_100102631434_100011201679 [1,0,0,0,0,0|3,0,0]=4 646 B6R0.4 COCCN(C)C 269982a_100000743101_200000210301 [1,0,0,0,0,0|3,0,0]=4 647 B6R0.4 COCCN(C)C 269982a_100102631434_100000233755 [1,0,0,0,0,0|3,0,0]=4 648 B6R0.4 COCCN(C)[13CH3] 2230a_100000743101_200025704644 [1,0,0,0,0,0|3,0,0]=4 649 B6R0.4 COCCN(C)[13CH3] 269982a_100000743101_200025704644 [1,0,0,0,0,0|3,0,0]=4 650 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [1,0,0,0,0,0|2,0,1]=4 651 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [1,0,0,0,0,0|2,0,0]=3 652 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [1,0,0,0,0,0|2,0,1]=4 653 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [1,0,0,0,0,0|2,0,1]=4 654 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,0,0,0,0,0|1,0,0]=2 655 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,0,0,0,0,0|1,0,0]=2 656 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,0,0,0,0,0|1,0,0]=2 657 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,0,0,0,0,0|1,0,0]=2 658 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [1,0,0,0,0,0|2,0,0]=3 659 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [1,0,0,0,0,0|2,0,0]=3 660 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,0,0,0,0,0|1,0,0]=2 661 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [1,0,0,0,0,0|2,0,1]=4 662 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [1,0,0,0,0,0|2,0,1]=4 663 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [1,0,0,0,0,0|1,0,2]=4 664 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [1,0,0,0,0,0|1,0,2]=4 665 B6R0.4 CSCCN(C)C 2230a_100000686725_200000210301 [1,0,0,0,0,0|3,0,0]=4 666 B6R0.4 CSCCN(C)C 2230a_100102631434_100000751147 [1,0,0,0,0,0|3,0,0]=4 667 B6R0.4 CSCCN(C)C 269982a_100000686725_200000210301 [1,0,0,0,0,0|3,0,0]=4 668 B6R0.4 CSCCN(C)C 269982a_100102631434_100000212216 [1,0,0,0,0,0|3,0,0]=4 669 B6R0.4 CSCCN(C)C 62a_200000210301_100000755713 [1,0,0,0,0,0|3,0,0]=4 670 B6R0.4 CSCCN(C)[13CH3] 2230a_100000686725_200025704644 [1,0,0,0,0,0|3,0,0]=4 671 B6R0.4 CSCCN(C)[13CH3] 269982a_100000686725_200025704644 [1,0,0,0,0,0|3,0,0]=4 672 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [1,0,0,0,0,0|2,0,0]=3 673 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [1,0,0,0,0,0|2,0,0]=3 674 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [1,0,0,0,0,0|2,0,1]=4 675 B6R0.4 NC(=O)CSCF 62a_100000747473_100015361967 [1,0,0,0,0,0|3,0,0]=4 676 B6R0.4 NC(=O)CSCF 62a_100015361967_100000747473 [1,0,0,0,0,0|3,0,0]=4 677 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [1,0,0,0,0,0|2,0,0]=3 678 B6R0.4 O=C([O-])CSCF 62a_100015361967_100020667443 [1,0,0,0,0,0|2,0,1]=4 679 B6R0.4 O=C([O-])CSCF 62a_100020667443_100015361967 [1,0,0,0,0,0|2,0,1]=4 680 B6R0.4 [13CH3]C(=O)C#CCO 1458a_100000049017_200025704644 [1,0,0,0,0,0|1,0,2]=4 681 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [1,0,0,0,0,0|1,0,1]=3 682 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [1,0,0,0,0,0|2,0,0]=3 683 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [1,0,0,0,0,0|2,0,0]=3 684 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [1,0,0,0,0,0|2,0,0]=3 685 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [1,0,0,0,0,0|2,0,0]=3 686 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [1,0,0,0,0,0|2,0,0]=3 687 B6R0.6 C#CCCCOC 34a_100000215630_200000210301 [1,0,0,0,0,0|0,0,3]=4 688 B6R0.6 C#CCCCOC 34a_100138415774_100000695029 [1,0,0,0,0,0|0,0,3]=4 689 B6R0.6 C#CCCCOC 7a_100000215630_200000210301 [1,0,0,0,0,0|0,0,3]=4 690 B6R0.6 C#CCCCO[13CH3] 34a_100000215630_200025704644 [1,0,0,0,0,0|0,0,3]=4 691 B6R0.6 C#CCCCO[13CH3] 7a_100000215630_200025704644 [1,0,0,0,0,0|0,0,3]=4 692 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [1,0,0,0,0,0|2,0,0]=3 693 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [1,0,0,0,0,0|2,0,0]=3 694 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [1,0,0,0,0,0|2,0,0]=3 695 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [1,0,0,0,0,0|2,0,0]=3 696 B6R0.6 C/C=C/COCF 34a_100016270725_100015361967 [1,0,0,0,0,0|3,0,0]=4 697 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [1,0,0,0,0,0|2,0,0]=3 698 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [1,0,0,0,0,0|2,0,0]=3 699 B6R0.6 C/C=C/CSCF 62a_100015361967_100102629194 [1,0,0,0,0,0|3,0,0]=4 700 B6R0.6 C/C=C/CSCF 62a_100102629194_100015361967 [1,0,0,0,0,0|3,0,0]=4 701 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [1,0,0,0,0,0|0,0,3]=4 702 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [1,0,0,0,0,0|0,0,3]=4 703 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [1,0,0,0,0,0|0,0,3]=4 704 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [1,0,0,0,0,0|0,0,3]=4 705 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [1,0,0,0,0,0|0,0,3]=4 706 B6R0.6 CC#CCCOC 34a_100000750427_200000210301 [1,0,0,0,0,0|0,0,3]=4 707 B6R0.6 CC#CCCO[13CH3] 34a_100000750427_200025704644 [1,0,0,0,0,0|0,0,3]=4 708 B6R0.6 CC#CCNCC 2230a_100000685387_100000210202 [1,0,0,0,0,0|2,0,1]=4 709 B6R0.6 CC#CCNCC 2230a_100015525214_100000748600 [1,0,0,0,0,0|2,0,1]=4 710 B6R0.6 CC#CCNCC 34a_100000685387_100000210202 [1,0,0,0,0,0|2,0,1]=4 711 B6R0.6 CC#CCOCC 34a_100000761923_100000210202 [1,0,0,0,0,0|2,0,1]=4 712 B6R0.6 CC#CCOCC 34a_100121572206_100000748600 [1,0,0,0,0,0|2,0,1]=4 713 B6R0.6 CC#CCSCC 62a_100000210202_100000748600 [1,0,0,0,0,0|2,0,1]=4 714 B6R0.6 CC#CCSCC 62a_100000748600_100000210202 [1,0,0,0,0,0|2,0,1]=4 715 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [1,0,0,0,0,0|2,0,1]=4 716 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [1,0,0,0,0,0|2,0,1]=4 717 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [1,0,0,0,0,0|2,0,1]=4 718 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [1,0,0,0,0,0|0,0,3]=4 719 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [1,0,0,0,0,0|0,0,3]=4 720 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [1,0,0,0,0,0|0,0,3]=4 721 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [1,0,0,0,0,0|2,0,1]=4 722 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [1,0,0,0,0,0|2,0,1]=4 723 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [1,0,0,0,0,0|2,0,1]=4 724 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [1,0,0,0,0,0|2,0,1]=4 725 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [1,0,0,0,0,0|2,0,0]=3 726 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [1,0,0,0,0,0|2,0,0]=3 727 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [1,0,0,0,0,0|2,0,0]=3 728 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [1,0,0,0,0,0|2,0,0]=3 729 B6R0.6 CC=CCSCF 62a_100000070051_100015361967 [1,0,0,0,0,0|3,0,0]=4 730 B6R0.6 CC=CCSCF 62a_100015361967_100000070051 [1,0,0,0,0,0|3,0,0]=4 731 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [1,0,0,0,0,0|3,0,0]=4 732 B6R0.6 CCC#CCOC 34a_100000032950_200000210301 [1,0,0,0,0,0|0,0,3]=4 733 B6R0.6 CCC#CCOC 34a_100138415774_100009813939 [1,0,0,0,0,0|0,0,3]=4 734 B6R0.6 CCC#CCO[13CH3] 34a_100000032950_200025704644 [1,0,0,0,0,0|0,0,3]=4 735 B6R0.6 CCC=NNCC 4a_100000756455_100000210100 [1,0,0,0,0,0|3,0,0]=4 736 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [1,0,0,0,0,0|1,0,1]=3 737 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [1,0,0,0,0,0|1,0,1]=3 738 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [1,0,0,0,0,0|1,0,1]=3 739 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [1,0,0,0,0,0|1,0,1]=3 740 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [1,0,0,0,0,0|1,0,1]=3 741 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [1,0,0,0,0,0|0,0,1]=2 742 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [1,0,0,0,0,0|0,0,1]=2 743 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [1,0,0,0,0,0|0,0,1]=2 744 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [1,0,0,0,0,0|0,0,1]=2 745 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [1,0,0,0,0,0|0,0,1]=2 746 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [1,0,0,0,0,0|0,1,1]=3 747 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [1,0,0,0,0,0|0,1,1]=3 748 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [1,0,0,0,0,0|0,1,1]=3 749 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [1,0,0,0,0,0|0,1,1]=3 750 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [1,0,0,0,0,0|2,0,0]=3 751 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [1,0,0,0,0,0|2,0,0]=3 752 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [1,0,0,0,0,0|2,0,0]=3 753 B6R0.6 CCCCNCF 7a_106832991798_100015361967 [1,0,0,0,0,0|3,0,0]=4 754 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [1,0,0,0,0,0|2,0,0]=3 755 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [1,0,0,0,0,0|2,0,0]=3 756 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [1,0,0,0,0,0|2,0,0]=3 757 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [1,0,0,0,0,0|3,0,0]=4 758 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [1,0,0,0,0,0|3,0,0]=4 759 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [1,0,0,0,0,0|2,0,0]=3 760 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [1,0,0,0,0,0|2,0,0]=3 761 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [1,0,0,0,0,0|3,0,0]=4 762 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [1,0,0,0,0,0|3,0,0]=4 763 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [1,0,0,0,0,0|2,0,1]=4 764 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [1,0,0,0,0,0|1,1,1]=4 765 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [1,0,0,0,0,0|2,0,1]=4 766 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [1,0,0,0,0,0|1,0,1]=3 767 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [1,0,0,0,0,0|1,0,1]=3 768 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [1,0,0,0,0,0|1,1,1]=4 769 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [1,0,0,0,0,0|1,1,1]=4 770 B6R0.6 CCNCCCF 2230a_100015189416_100000210202 [1,0,0,0,0,0|3,0,0]=4 771 B6R0.6 CCNCCCF 2230a_100015525214_100011934791 [1,0,0,0,0,0|3,0,0]=4 772 B6R0.6 CCNCCCF 34a_100015189416_100000210202 [1,0,0,0,0,0|3,0,0]=4 773 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [1,0,0,0,0,0|3,0,0]=4 774 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [1,0,0,0,0,0|1,0,1]=3 775 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [1,0,0,0,0,0|1,0,1]=3 776 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [1,0,0,0,0,0|1,1,1]=4 777 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [1,0,0,0,0,0|1,1,1]=4 778 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [1,0,0,0,0,0|3,0,0]=4 779 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [1,0,0,0,0,0|3,0,0]=4 780 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [1,0,0,0,0,0|3,0,0]=4 781 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [1,0,0,0,0,0|3,0,0]=4 782 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [1,0,0,0,0,0|3,0,0]=4 783 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [1,0,0,0,0,0|3,0,0]=4 784 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [1,0,0,0,0,0|2,0,1]=4 785 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [1,0,0,0,0,0|2,0,1]=4 786 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [1,0,0,0,0,0|2,0,1]=4 787 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [1,0,0,0,0,0|2,0,1]=4 788 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [1,0,0,0,0,0|2,0,1]=4 789 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [1,0,0,0,0,0|2,0,1]=4 790 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [1,0,0,0,0,0|2,0,1]=4 791 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [1,0,0,0,0,0|1,0,1]=3 792 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [1,0,0,0,0,0|1,0,1]=3 793 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [1,0,0,0,0,0|1,0,1]=3 794 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [1,0,0,0,0,0|1,0,1]=3 795 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [1,0,0,0,0,0|1,0,1]=3 796 B6R0.6 CCOCCON 34a_100000700252_100000210202 [1,0,0,0,0,0|2,0,1]=4 797 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [1,0,0,0,0,0|1,0,1]=3 798 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [1,0,0,0,0,0|1,0,1]=3 799 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [1,0,0,0,0,0|1,1,1]=4 800 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [1,0,0,0,0,0|1,1,1]=4 801 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [1,0,0,0,0,0|1,1,1]=4 802 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [1,0,0,0,0,0|1,1,1]=4 803 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [1,0,0,0,0,0|1,1,1]=4 804 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [1,0,0,0,0,0|1,1,1]=4 805 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [1,0,0,0,0,0|1,1,1]=4 806 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [1,0,0,0,0,0|3,0,0]=4 807 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [1,0,0,0,0,0|3,0,0]=4 808 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [1,0,0,0,0,0|3,0,0]=4 809 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [1,0,0,0,0,0|3,0,0]=4 810 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [1,0,0,0,0,0|3,0,0]=4 811 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [1,0,0,0,0,0|3,0,0]=4 812 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [1,0,0,0,0,0|2,0,1]=4 813 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [1,0,0,0,0,0|2,0,1]=4 814 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [1,0,0,0,0,0|2,0,1]=4 815 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [1,0,0,0,0,0|2,0,1]=4 816 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [1,0,0,0,0,0|2,0,1]=4 817 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [1,0,0,0,0,0|1,0,1]=3 818 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [1,0,0,0,0,0|1,0,1]=3 819 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [1,0,0,0,0,0|1,0,1]=3 820 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [1,0,0,0,0,0|1,0,1]=3 821 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [1,0,0,0,0,0|1,0,1]=3 822 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [1,0,0,0,0,0|1,0,1]=3 823 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [1,0,0,0,0,0|1,0,1]=3 824 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [1,0,0,0,0,0|1,1,1]=4 825 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [1,0,0,0,0,0|1,1,1]=4 826 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [1,0,0,0,0,0|1,1,1]=4 827 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [1,0,0,0,0,0|1,1,1]=4 828 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [1,0,0,0,0,0|1,1,1]=4 829 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [1,0,0,0,0,0|1,1,1]=4 830 B6R0.6 CNCCCCF 2230a_106832991635_100000729493 [1,0,0,0,0,0|2,0,1]=4 831 B6R0.6 CNCCCCF 34a_100102657272_100000729493 [1,0,0,0,0,0|2,0,1]=4 832 B6R0.6 CNCCCCF 7a_106832991635_100000729493 [1,0,0,0,0,0|2,0,1]=4 833 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [1,0,0,0,0,0|2,0,1]=4 834 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [1,0,0,0,0,0|2,0,1]=4 835 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [1,0,0,0,0,0|2,0,1]=4 836 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [1,0,0,0,0,0|2,0,1]=4 837 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [1,0,0,0,0,0|2,0,1]=4 838 B6R0.6 CNCCCOC 2230a_106832991635_100000740836 [1,0,0,0,0,0|1,0,1]=3 839 B6R0.6 CNCCCOC 34a_100000213112_200000210301 [1,0,0,0,0,0|1,0,1]=3 840 B6R0.6 CNCCCOC 34a_100102657272_100000740836 [1,0,0,0,0,0|1,0,1]=3 841 B6R0.6 CNCCCOC 34a_100150723488_200000210301 [1,0,0,0,0,0|1,0,1]=3 842 B6R0.6 CNCCCOC 7a_106832991635_100000740836 [1,0,0,0,0,0|1,0,1]=3 843 B6R0.6 CNCCCO[13CH3] 34a_100000213112_200025704644 [1,0,0,0,0,0|1,0,1]=3 844 B6R0.6 CNCCCSC 2230a_100000749238_200000210301 [1,0,0,0,0,0|1,1,1]=4 845 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [1,0,0,0,0,0|1,0,1]=3 846 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [1,0,0,0,0,0|1,0,1]=3 847 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [1,0,0,0,0,0|1,0,1]=3 848 B6R0.6 COCCCCF 34a_100011995726_200000210301 [1,0,0,0,0,0|1,0,1]=3 849 B6R0.6 COCCCCF 34a_100138415774_100000729493 [1,0,0,0,0,0|1,0,1]=3 850 B6R0.6 COCCCCF 7a_100011995726_200000210301 [1,0,0,0,0,0|1,0,1]=3 851 B6R0.6 COCCCCI 34a_200012148704_200000210301 [1,0,0,0,0,0|1,0,1]=3 852 B6R0.6 COCCCCN 34a_100000750430_200000210301 [1,0,0,0,0,0|1,0,1]=3 853 B6R0.6 COCCCCO 34a_100138415774_100011216708 [1,0,0,0,0,0|1,0,1]=3 854 B6R0.6 COCCCN[13CH3] 34a_100150723488_200025704644 [1,0,0,0,0,0|1,0,1]=3 855 B6R0.6 COCCCOC 34a_100000740835_200000210301 [1,0,0,0,0,0|1,0,1]=3 856 B6R0.6 COCCCOC 34a_100138415774_100000740836 [1,0,0,0,0,0|1,0,1]=3 857 B6R0.6 COCCCO[13CH3] 34a_100000740835_200025704644 [1,0,0,0,0,0|1,0,1]=3 858 B6R0.6 COCCCSC 34a_100000690336_200000210301 [1,0,0,0,0,0|1,0,1]=3 859 B6R0.6 COCCCSC 62a_100000709357_200000210301 [1,0,0,0,0,0|1,0,1]=3 860 B6R0.6 COCCCSC 62a_200000210301_100000709357 [1,0,0,0,0,0|1,0,1]=3 861 B6R0.6 COCCCSC 7a_100000690336_200000210301 [1,0,0,0,0,0|1,0,1]=3 862 B6R0.6 COCCCS[13CH3] 62a_100000709357_200025704644 [1,0,0,0,0,0|1,0,1]=3 863 B6R0.6 COCCCS[13CH3] 62a_200025704644_100000709357 [1,0,0,0,0,0|1,0,1]=3 864 B6R0.6 COCCOCF 34a_100000210237_100015361967 [1,0,0,0,0,0|2,0,1]=4 865 B6R0.6 COCCSCF 62a_100000233755_100015361967 [1,0,0,0,0,0|2,0,1]=4 866 B6R0.6 COCCSCF 62a_100015361967_100000233755 [1,0,0,0,0,0|2,0,1]=4 867 B6R0.6 COCNCCO 2230a_100016997473_100000766300 [1,0,0,0,0,0|2,0,1]=4 868 B6R0.6 COCSCCF 62a_100000766300_100011217306 [1,0,0,0,0,0|2,0,1]=4 869 B6R0.6 COCSCCF 62a_100011217306_100000766300 [1,0,0,0,0,0|2,0,1]=4 870 B6R0.6 COCSCCO 62a_100000211926_100000766300 [1,0,0,0,0,0|2,0,1]=4 871 B6R0.6 COCSCCO 62a_100000766300_100000211926 [1,0,0,0,0,0|2,0,1]=4 872 B6R0.6 COCSCOC 62a_100000766300_100000766300 [1,0,0,0,0,0|2,0,1]=4 873 B6R0.6 COCSCSC 62a_100000766300_100011218213 [1,0,0,0,0,0|2,0,1]=4 874 B6R0.6 COCSCSC 62a_100011218213_100000766300 [1,0,0,0,0,0|2,0,1]=4 875 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [1,0,0,0,0,0|1,1,1]=4 876 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [1,0,0,0,0,0|1,1,1]=4 877 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [1,0,0,0,0,0|1,1,1]=4 878 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [1,0,0,0,0,0|1,1,1]=4 879 B6R0.6 CSCCCN[13CH3] 2230a_100000749238_200025704644 [1,0,0,0,0,0|1,1,1]=4 880 B6R0.6 CSCCCO[13CH3] 34a_100000690336_200025704644 [1,0,0,0,0,0|1,0,1]=3 881 B6R0.6 CSCCCO[13CH3] 7a_100000690336_200025704644 [1,0,0,0,0,0|1,0,1]=3 882 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [1,0,0,0,0,0|2,0,1]=4 883 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [1,0,0,0,0,0|2,0,1]=4 884 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [1,0,0,0,0,0|1,0,1]=3 885 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [1,0,0,0,0,0|1,0,1]=3 886 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [1,0,0,0,0,0|1,0,1]=3 887 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [1,0,0,0,0,0|1,0,1]=3 888 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [1,0,0,0,0,0|1,0,1]=3 889 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [1,0,0,0,0,0|1,0,1]=3 890 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [1,0,0,0,0,0|1,0,1]=3 891 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [1,0,0,0,0,0|1,1,1]=4 892 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [1,0,0,0,0,0|1,1,1]=4 893 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [1,0,0,0,0,0|1,1,1]=4 894 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [1,0,0,0,0,0|1,1,1]=4 895 B8R0.1 C#CCC(=O)CCCC 1458a_100000210183_100000184674 [0,1,0,0,0,0|1,0,1]=3 896 B8R0.1 C#CCC(=O)CCCC 1458a_100011220946_100000210211 [0,1,0,0,0,0|1,0,1]=3 897 B8R0.1 C#CCC(=O)CCCF 1458a_100011220946_100011934791 [0,1,0,0,0,0|2,0,1]=4 898 B8R0.1 C#CCC(=O)CCCO 1458a_100011220946_100011215043 [0,1,0,0,0,0|2,0,1]=4 899 B8R0.1 C#CCC(=O)CCOC 1458a_100000749529_100000184674 [0,1,0,0,0,0|2,0,1]=4 900 B8R0.1 C#CCC(=O)CCOC 1458a_100011220946_100000233755 [0,1,0,0,0,0|2,0,1]=4 901 B8R0.1 C#CCC(=O)CCSC 1458a_100000174002_100000184674 [0,1,0,0,0,0|2,0,1]=4 902 B8R0.1 C#CCC(=O)CCSC 1458a_100011220946_100000751147 [0,1,0,0,0,0|2,0,1]=4 903 B8R0.1 C#CCC(=O)COCC 1458a_100000211967_100000184674 [0,1,0,0,0,0|2,0,1]=4 904 B8R0.1 C#CCC(=O)CSCC 1458a_100000230394_100000184674 [0,1,0,0,0,0|2,0,1]=4 905 B8R0.1 C#CCC(=O)NCCC 1626a_100020643023_100011220946 [0,1,0,0,0,0|2,0,1]=4 906 B8R0.1 C#CCC(=O)NCCC 527a_100020643023_100011220946 [0,1,0,0,0,0|2,0,1]=4 907 B8R0.1 C#CCCC(=O)C#CC 1458a_100000763181_100000753159 [0,1,0,0,0,0|1,0,2]=4 908 B8R0.1 C#CCCC(=O)C=CC 1458a_100000210699_100000753159 [0,1,0,0,0,0|1,0,2]=4 909 B8R0.1 C#CCCC(=O)CCC 1458a_100000211992_100000753159 [0,1,0,0,0,0|1,0,2]=4 910 B8R0.1 C#CCCC(=O)CCC 1458a_100000692101_100000210303 [0,1,0,0,0,0|1,0,2]=4 911 B8R0.1 C#CCCC(=O)CCF 1458a_100000692101_100011217306 [0,1,0,0,0,0|1,0,2]=4 912 B8R0.1 C#CCCC(=O)CCO 1458a_100000692101_100000211926 [0,1,0,0,0,0|1,0,2]=4 913 B8R0.1 C#CCCC(=O)CCO 1458a_100011216618_100000753159 [0,1,0,0,0,0|1,0,2]=4 914 B8R0.1 C#CCCC(=O)COC 1458a_100000210968_100000753159 [0,1,0,0,0,0|0,0,2]=3 915 B8R0.1 C#CCCC(=O)CSC 1458a_100000184570_100000753159 [0,1,0,0,0,0|0,1,2]=4 916 B8R0.1 C#CCCC(=O)NCC 11a_100015525214_100000692101 [0,1,0,0,0,0|1,0,2]=4 917 B8R0.1 C#CCCC(=O)NCC 240690a_100015525214_100000692101 [0,1,0,0,0,0|1,0,2]=4 918 B8R0.1 C#CCCC(=O)NCC 527a_100015525214_100000692101 [0,1,0,0,0,0|1,0,2]=4 919 B8R0.1 C#CCCC(=O)NNC 22a_100016993582_100000692101 [0,1,0,0,0,0|1,0,2]=4 920 B8R0.1 C#CCNC(=O)COC 11a_100000212058_100000210968 [0,1,0,0,0,0|1,0,2]=4 921 B8R0.1 C#CCNC(=O)COC 1626a_100000212058_100000210968 [0,1,0,0,0,0|1,0,2]=4 922 B8R0.1 C#CCNC(=O)COC 240690a_100000212058_100000210968 [0,1,0,0,0,0|1,0,2]=4 923 B8R0.1 C#CCNC(=O)COC 527a_100000212058_100000210968 [0,1,0,0,0,0|1,0,2]=4 924 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [0,1,0,0,0,0|1,0,2]=4 925 B8R0.1 C/C=C/CC(=O)CCO 1458a_100011216618_100102629194 [0,1,0,0,0,0|1,0,2]=4 926 B8R0.1 C/C=C/CC(=O)COC 1458a_100000210968_100102629194 [0,1,0,0,0,0|0,0,2]=3 927 B8R0.1 C/C=C/CC(=O)CSC 1458a_100000184570_100102629194 [0,1,0,0,0,0|0,1,2]=4 928 B8R0.1 C=C(COC)OCOC 34a_100138415774_100000042856 [0,1,0,0,0,0|3,0,0]=4 929 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [0,1,0,0,0,0|1,0,1]=3 930 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [0,1,0,0,0,0|1,0,1]=3 931 B8R0.1 C=CCC(=O)CCCF 1458a_100000210193_100011934791 [0,1,0,0,0,0|2,0,1]=4 932 B8R0.1 C=CCC(=O)CCCO 1458a_100000210193_100011215043 [0,1,0,0,0,0|2,0,1]=4 933 B8R0.1 C=CCC(=O)CCOC 1458a_100000210193_100000233755 [0,1,0,0,0,0|2,0,1]=4 934 B8R0.1 C=CCC(=O)CCOC 1458a_100000749529_100000210623 [0,1,0,0,0,0|2,0,1]=4 935 B8R0.1 C=CCC(=O)CCSC 1458a_100000174002_100000210623 [0,1,0,0,0,0|2,0,1]=4 936 B8R0.1 C=CCC(=O)CCSC 1458a_100000210193_100000751147 [0,1,0,0,0,0|2,0,1]=4 937 B8R0.1 C=CCC(=O)COCC 1458a_100000211967_100000210623 [0,1,0,0,0,0|2,0,1]=4 938 B8R0.1 C=CCC(=O)CSCC 1458a_100000230394_100000210623 [0,1,0,0,0,0|2,0,1]=4 939 B8R0.1 C=CCC(=O)NCCC 11a_100020643023_100000210193 [0,1,0,0,0,0|2,0,1]=4 940 B8R0.1 C=CCC(=O)NCCC 1626a_100020643023_100000210193 [0,1,0,0,0,0|2,0,1]=4 941 B8R0.1 C=CCC(=O)NCCC 240690a_100020643023_100000210193 [0,1,0,0,0,0|2,0,1]=4 942 B8R0.1 C=CCC(=O)NCCC 527a_100020643023_100000210193 [0,1,0,0,0,0|2,0,1]=4 943 B8R0.1 C=CCCC(=O)C#CC 1458a_100000763181_100000754431 [0,1,0,0,0,0|1,0,2]=4 944 B8R0.1 C=CCCC(=O)C=CC 1458a_100000210699_100000754431 [0,1,0,0,0,0|1,0,2]=4 945 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [0,1,0,0,0,0|1,0,2]=4 946 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [0,1,0,0,0,0|1,0,2]=4 947 B8R0.1 C=CCCC(=O)CCF 1458a_100000749702_100011217306 [0,1,0,0,0,0|1,0,2]=4 948 B8R0.1 C=CCCC(=O)CCO 1458a_100000749702_100000211926 [0,1,0,0,0,0|1,0,2]=4 949 B8R0.1 C=CCCC(=O)CCO 1458a_100011216618_100000754431 [0,1,0,0,0,0|1,0,2]=4 950 B8R0.1 C=CCCC(=O)COC 1458a_100000210968_100000754431 [0,1,0,0,0,0|0,0,2]=3 951 B8R0.1 C=CCCC(=O)CSC 1458a_100000184570_100000754431 [0,1,0,0,0,0|0,1,2]=4 952 B8R0.1 C=CCCC(=O)NCC 11a_100015525214_100000749702 [0,1,0,0,0,0|1,0,2]=4 953 B8R0.1 C=CCCC(=O)NCC 240690a_100015525214_100000749702 [0,1,0,0,0,0|1,0,2]=4 954 B8R0.1 C=CCCC(=O)NCC 527a_100015525214_100000749702 [0,1,0,0,0,0|1,0,2]=4 955 B8R0.1 C=CCCC(=O)NNC 22a_100016993582_100000749702 [0,1,0,0,0,0|1,0,2]=4 956 B8R0.1 C=CCNC(=O)COC 1626a_100020586998_100000210968 [0,1,0,0,0,0|1,0,2]=4 957 B8R0.1 C=CCNC(=O)COC 240690a_100020586998_100000210968 [0,1,0,0,0,0|1,0,2]=4 958 B8R0.1 C=CCNC(=O)COC 527a_100020586998_100000210968 [0,1,0,0,0,0|1,0,2]=4 959 B8R0.1 C=CCOC(=O)COC 34a_100138415774_100000033060 [0,1,0,0,0,0|1,0,2]=4 960 B8R0.1 C=COC(=O)CNCC 2230a_100015525214_100000036128 [0,1,0,0,0,0|1,0,1]=3 961 B8R0.1 C=COC(=O)COCC 34a_100121572206_100000036128 [0,1,0,0,0,0|1,0,1]=3 962 B8R0.1 C=COC(=O)CSCC 62a_100000036128_100000210202 [0,1,0,0,0,0|1,0,1]=3 963 B8R0.1 C=COC(=O)CSCC 62a_100000210202_100000036128 [0,1,0,0,0,0|1,0,1]=3 964 B8R0.1 C=COC(=O)CSCF 62a_100000036128_100015361967 [0,1,0,0,0,0|2,0,1]=4 965 B8R0.1 C=COC(=O)CSCF 62a_100015361967_100000036128 [0,1,0,0,0,0|2,0,1]=4 966 B8R0.1 CC#CC(=O)C/C=C/C 1458a_100000763181_100102629194 [0,1,0,0,0,0|1,0,2]=4 967 B8R0.1 CC#CC(=O)CC=CC 1458a_100000763181_100000070051 [0,1,0,0,0,0|1,0,2]=4 968 B8R0.1 CC#CC(=O)CCC#N 1458a_100000763181_100011215226 [0,1,0,0,0,0|2,0,1]=4 969 B8R0.1 CC#CC(=O)CCCC 1458a_100000763181_100000210211 [0,1,0,0,0,0|1,0,0]=2 970 B8R0.1 CC#CC(=O)CCCF 1458a_100000763181_100011934791 [0,1,0,0,0,0|2,0,0]=3 971 B8R0.1 CC#CC(=O)CCCO 1458a_100000763181_100011215043 [0,1,0,0,0,0|2,0,0]=3 972 B8R0.1 CC#CC(=O)CCOC 1458a_100000763181_100000233755 [0,1,0,0,0,0|2,0,0]=3 973 B8R0.1 CC#CC(=O)CCSC 1458a_100000763181_100000751147 [0,1,0,0,0,0|2,0,0]=3 974 B8R0.1 CC#CC(=O)NNCC 22a_100000756455_100000763181 [0,1,0,0,0,0|3,0,0]=4 975 B8R0.1 CC#CCC(=O)C#CC 1458a_100000763181_100000748600 [0,1,0,0,0,0|1,0,2]=4 976 B8R0.1 CC#CCC(=O)C=CC 1458a_100000210699_100000748600 [0,1,0,0,0,0|1,0,2]=4 977 B8R0.1 CC#CCC(=O)CCC 1458a_100000211992_100000748600 [0,1,0,0,0,0|1,0,2]=4 978 B8R0.1 CC#CCC(=O)CCO 1458a_100011216618_100000748600 [0,1,0,0,0,0|1,0,2]=4 979 B8R0.1 CC#CCC(=O)COC 1458a_100000210968_100000748600 [0,1,0,0,0,0|0,0,2]=3 980 B8R0.1 CC#CCC(=O)CSC 1458a_100000184570_100000748600 [0,1,0,0,0,0|0,1,2]=4 981 B8R0.1 CC(CCCCl)OCF 34a_200000718107_100015361967 [0,1,0,0,0,0|2,0,1]=4 982 B8R0.1 CC(CCCCl)OCF 7a_200000718107_100015361967 [0,1,0,0,0,0|2,0,1]=4 983 B8R0.1 CC=CC(=O)C/C=C/C 1458a_100000210699_100102629194 [0,1,0,0,0,0|1,0,2]=4 984 B8R0.1 CC=CC(=O)CCC#N 1458a_100000210699_100011215226 [0,1,0,0,0,0|2,0,1]=4 985 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [0,1,0,0,0,0|1,0,0]=2 986 B8R0.1 CC=CC(=O)CCCF 1458a_100000210699_100011934791 [0,1,0,0,0,0|2,0,0]=3 987 B8R0.1 CC=CC(=O)CCCO 1458a_100000210699_100011215043 [0,1,0,0,0,0|2,0,0]=3 988 B8R0.1 CC=CC(=O)CCOC 1458a_100000210699_100000233755 [0,1,0,0,0,0|2,0,0]=3 989 B8R0.1 CC=CC(=O)CCSC 1458a_100000210699_100000751147 [0,1,0,0,0,0|2,0,0]=3 990 B8R0.1 CC=CC(=O)NCCC 11a_100020643023_100000210699 [0,1,0,0,0,0|2,0,0]=3 991 B8R0.1 CC=CC(=O)NCCC 1626a_100020643023_100000210699 [0,1,0,0,0,0|2,0,0]=3 992 B8R0.1 CC=CC(=O)NCCC 240690a_100020643023_100000210699 [0,1,0,0,0,0|2,0,0]=3 993 B8R0.1 CC=CC(=O)NCCF 11a_100000724931_100000210699 [0,1,0,0,0,0|3,0,0]=4 994 B8R0.1 CC=CC(=O)NCCF 1626a_100000724931_100000210699 [0,1,0,0,0,0|3,0,0]=4 995 B8R0.1 CC=CC(=O)NCCF 240690a_100000724931_100000210699 [0,1,0,0,0,0|3,0,0]=4 996 B8R0.1 CC=CC(=O)NCCO 240690a_100000210304_100000210699 [0,1,0,0,0,0|3,0,0]=4 997 B8R0.1 CC=CC(=O)NNCC 22a_100000756455_100000210699 [0,1,0,0,0,0|3,0,0]=4 998 B8R0.1 CC=CCC(=O)C=CC 1458a_100000210699_100000070051 [0,1,0,0,0,0|1,0,2]=4 999 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [0,1,0,0,0,0|1,0,2]=4 1000 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [0,1,0,0,0,0|1,0,2]=4 1001 B8R0.1 CC=CCC(=O)CCF 1458a_100121576822_100011217306 [0,1,0,0,0,0|1,0,2]=4 1002 B8R0.1 CC=CCC(=O)CCO 1458a_100011216618_100000070051 [0,1,0,0,0,0|1,0,2]=4 1003 B8R0.1 CC=CCC(=O)CCO 1458a_100121576822_100000211926 [0,1,0,0,0,0|1,0,2]=4 1004 B8R0.1 CC=CCC(=O)COC 1458a_100000210968_100000070051 [0,1,0,0,0,0|0,0,2]=3 1005 B8R0.1 CC=CCC(=O)CSC 1458a_100000184570_100000070051 [0,1,0,0,0,0|0,1,2]=4 1006 B8R0.1 CC=CCC(=O)NCC 11a_100015525214_100121576822 [0,1,0,0,0,0|1,0,2]=4 1007 B8R0.1 CC=CCC(=O)NCC 240690a_100015525214_100121576822 [0,1,0,0,0,0|1,0,2]=4 1008 B8R0.1 CC=CCC(=O)NCC 527a_100015525214_100121576822 [0,1,0,0,0,0|1,0,2]=4 1009 B8R0.1 CC=CCC(=O)NNC 22a_100016993582_100121576822 [0,1,0,0,0,0|1,0,2]=4 1010 B8R0.1 CC=NNC(=O)COC 4a_100000216845_200000210099 [0,1,0,0,0,0|2,0,1]=4 1011 B8R0.1 CCC#CC(=O)CCC 1458a_100011827653_100000210303 [0,1,0,0,0,0|1,0,2]=4 1012 B8R0.1 CCC#CC(=O)CCF 1458a_100011827653_100011217306 [0,1,0,0,0,0|1,0,2]=4 1013 B8R0.1 CCC#CC(=O)CCO 1458a_100011827653_100000211926 [0,1,0,0,0,0|1,0,2]=4 1014 B8R0.1 CCC#CC(=O)NNC 22a_100016993582_100011827653 [0,1,0,0,0,0|1,0,2]=4 1015 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [0,1,0,0,0,0|1,0,2]=4 1016 B8R0.1 CCC=CC(=O)CCF 1458a_100000212282_100011217306 [0,1,0,0,0,0|1,0,2]=4 1017 B8R0.1 CCC=CC(=O)CCO 1458a_100000212282_100000211926 [0,1,0,0,0,0|1,0,2]=4 1018 B8R0.1 CCC=CC(=O)NCC 11a_100015525214_100000212282 [0,1,0,0,0,0|1,0,2]=4 1019 B8R0.1 CCC=CC(=O)NCC 240690a_100015525214_100000212282 [0,1,0,0,0,0|1,0,2]=4 1020 B8R0.1 CCC=CC(=O)NNC 22a_100016993582_100000212282 [0,1,0,0,0,0|1,0,2]=4 1021 B8R0.1 CCCC(=O)CCC#N 1458a_100000211992_100011215226 [0,1,0,0,0,0|2,0,1]=4 1022 B8R0.1 CCCC(=O)CCC#N 1458a_100011934036_100000210303 [0,1,0,0,0,0|2,0,1]=4 1023 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [0,1,0,0,0,0|2,0,0]=3 1024 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [0,1,0,0,0,0|2,0,0]=3 1025 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [0,1,0,0,0,0|2,0,0]=3 1026 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [0,1,0,0,0,0|2,0,0]=3 1027 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [0,1,0,0,0,0|2,0,0]=3 1028 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [0,1,0,0,0,0|2,0,0]=3 1029 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [0,1,0,0,0,0|2,0,0]=3 1030 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [0,1,0,0,0,0|2,0,0]=3 1031 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [0,1,0,0,0,0|2,0,0]=3 1032 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [0,1,0,0,0,0|2,0,0]=3 1033 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [0,1,0,0,0,0|2,0,0]=3 1034 B8R0.1 CCCC(=O)CSCF 62a_100000747444_100015361967 [0,1,0,0,0,0|3,0,0]=4 1035 B8R0.1 CCCC(=O)CSCF 62a_100015361967_100000747444 [0,1,0,0,0,0|3,0,0]=4 1036 B8R0.1 CCCC(=O)NCCF 11a_100000724931_100000211992 [0,1,0,0,0,0|3,0,0]=4 1037 B8R0.1 CCCC(=O)NCCF 1626a_100000724931_100000211992 [0,1,0,0,0,0|3,0,0]=4 1038 B8R0.1 CCCC(=O)NCCF 240690a_100000724931_100000211992 [0,1,0,0,0,0|3,0,0]=4 1039 B8R0.1 CCCC(=O)NCCF 527a_100000724931_100000211992 [0,1,0,0,0,0|3,0,0]=4 1040 B8R0.1 CCCC(=O)NCCO 240690a_100000210304_100000211992 [0,1,0,0,0,0|3,0,0]=4 1041 B8R0.1 CCCC(=O)NCCO 527a_100000210304_100000211992 [0,1,0,0,0,0|3,0,0]=4 1042 B8R0.1 CCCC(=O)NNCC 22a_100000756455_100000211992 [0,1,0,0,0,0|3,0,0]=4 1043 B8R0.1 CCCC(=O)OCNC 2230a_106832991635_100000034017 [0,1,0,0,0,0|3,0,0]=4 1044 B8R0.1 CCCC(=O)OCNC 34a_100102657272_100000034017 [0,1,0,0,0,0|3,0,0]=4 1045 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [0,1,0,0,0,0|3,0,0]=4 1046 B8R0.1 CCCC(=O)OCSC 62a_200000210301_100000034017 [0,1,0,0,0,0|3,0,0]=4 1047 B8R0.1 CCCC(=O)OCS[13CH3] 62a_200025704644_100000034017 [0,1,0,0,0,0|3,0,0]=4 1048 B8R0.1 CCCCC(=O)C=CBr 1458a_100016273825_100000210211 [0,1,0,0,0,0|1,0,1]=3 1049 B8R0.1 CCCCC(=O)C=CCl 1458a_200016279998_100000210211 [0,1,0,0,0,0|1,0,1]=3 1050 B8R0.1 CCCCC(=O)C=CI 1458a_100016256311_100000210211 [0,1,0,0,0,0|1,0,1]=3 1051 B8R0.1 CCCCC(=O)CC#N 1458a_100000210183_100011214920 [0,1,0,0,0,0|1,0,1]=3 1052 B8R0.1 CCCCC(=O)CC#N 1458a_100051588842_100000210211 [0,1,0,0,0,0|1,0,1]=3 1053 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [0,1,0,0,0,0|1,0,0]=2 1054 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [0,1,0,0,0,0|1,0,0]=2 1055 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [0,1,0,0,0,0|1,0,0]=2 1056 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [0,1,0,0,0,0|1,0,0]=2 1057 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [0,1,0,0,0,0|1,0,0]=2 1058 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [0,1,0,0,0,0|0,0,0]=1 1059 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [0,1,0,0,0,0|0,1,0]=2 1060 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [0,1,0,0,0,0|1,0,0]=2 1061 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [0,1,0,0,0,0|1,0,0]=2 1062 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [0,1,0,0,0,0|1,0,0]=2 1063 B8R0.1 CCCCC(=O)NNC 22a_100016993582_100000210183 [0,1,0,0,0,0|1,0,0]=2 1064 B8R0.1 CCCCC(C)COC 34a_100011995851_200000210301 [0,1,0,0,0,0|1,0,1]=3 1065 B8R0.1 CCCCC(C)COC 7a_100011995851_200000210301 [0,1,0,0,0,0|1,0,1]=3 1066 B8R0.1 CCCCC(C)CO[13CH3] 34a_100011995851_200025704644 [0,1,0,0,0,0|1,0,1]=3 1067 B8R0.1 CCCCC(C)CO[13CH3] 7a_100011995851_200025704644 [0,1,0,0,0,0|1,0,1]=3 1068 B8R0.1 CCCCC(C)NCC 2230a_100000126638_100000210202 [0,1,0,0,0,0|2,0,1]=4 1069 B8R0.1 CCCCC(C)NCC 2230a_100015525214_200011215066 [0,1,0,0,0,0|2,0,1]=4 1070 B8R0.1 CCCCC(C)NCC 270004a_100015525214_100000210087 [0,1,0,0,0,0|2,0,1]=4 1071 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [0,1,0,0,0,0|1,0,1]=3 1072 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [0,1,0,0,0,0|1,0,1]=3 1073 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [0,1,0,0,0,0|1,0,1]=3 1074 B8R0.1 CCCCC(C)OCF 34a_100000687866_100015361967 [0,1,0,0,0,0|1,0,1]=3 1075 B8R0.1 CCCCC(C)OCF 7a_100000687866_100015361967 [0,1,0,0,0,0|1,0,1]=3 1076 B8R0.1 CCCCC(C)SCC 62a_100000210202_200011215066 [0,1,0,0,0,0|1,1,1]=4 1077 B8R0.1 CCCCC(C)SCC 62a_200011215066_100000210202 [0,1,0,0,0,0|1,1,1]=4 1078 B8R0.1 CCCCC(C)SCF 62a_100015361967_200011215066 [0,1,0,0,0,0|1,1,1]=4 1079 B8R0.1 CCCCC(C)SCF 62a_200011215066_100015361967 [0,1,0,0,0,0|1,1,1]=4 1080 B8R0.1 CCCCN(C)CCC 2230a_100000207549_100000210303 [0,1,0,0,0,0|3,0,0]=4 1081 B8R0.1 CCCCN(C)CCC 2230a_100000747261_100000210211 [0,1,0,0,0,0|3,0,0]=4 1082 B8R0.1 CCCCN(C)CCC 2230a_200000207744_200000210301 [0,1,0,0,0,0|3,0,0]=4 1083 B8R0.1 CCCCN(C)CCC 269982a_100000207549_100000210303 [0,1,0,0,0,0|3,0,0]=4 1084 B8R0.1 CCCCN(C)CCC 269982a_100000747261_100000210211 [0,1,0,0,0,0|3,0,0]=4 1085 B8R0.1 CCCCN(C)CCC 269982a_200000207744_200000210301 [0,1,0,0,0,0|3,0,0]=4 1086 B8R0.1 CCCCN(C)CCF 2230a_100000207549_100011217306 [0,1,0,0,0,0|3,0,0]=4 1087 B8R0.1 CCCCN(C)CCF 269982a_100000207549_100011217306 [0,1,0,0,0,0|3,0,0]=4 1088 B8R0.1 CCCCN(C)CCO 2230a_100000198060_200000210301 [0,1,0,0,0,0|3,0,0]=4 1089 B8R0.1 CCCCN(C)CCO 2230a_100000207549_100000211926 [0,1,0,0,0,0|3,0,0]=4 1090 B8R0.1 CCCCN(C)CCO 2230a_100000210263_100000210211 [0,1,0,0,0,0|3,0,0]=4 1091 B8R0.1 CCCCN(C)CCO 269982a_100000198060_200000210301 [0,1,0,0,0,0|3,0,0]=4 1092 B8R0.1 CCCCN(C)CCO 269982a_100000207549_100000211926 [0,1,0,0,0,0|3,0,0]=4 1093 B8R0.1 CCCCN(C)CCO 269982a_100000210263_100000210211 [0,1,0,0,0,0|3,0,0]=4 1094 B8R0.1 CCCCN(C)COC 2230a_100000207549_100000766300 [0,1,0,0,0,0|2,0,0]=3 1095 B8R0.1 CCCCN(C)COC 269982a_100000207549_100000766300 [0,1,0,0,0,0|2,0,0]=3 1096 B8R0.1 CCCCN(C)CSC 2230a_100000207549_100011218213 [0,1,0,0,0,0|2,1,0]=4 1097 B8R0.1 CCCCN(C)CSC 269982a_100000207549_100011218213 [0,1,0,0,0,0|2,1,0]=4 1098 B8R0.1 CCCCN([13CH3])CCC 2230a_200000207744_200025704644 [0,1,0,0,0,0|3,0,0]=4 1099 B8R0.1 CCCCN([13CH3])CCC 269982a_200000207744_200025704644 [0,1,0,0,0,0|3,0,0]=4 1100 B8R0.1 CCCCN([13CH3])CCO 2230a_100000198060_200025704644 [0,1,0,0,0,0|3,0,0]=4 1101 B8R0.1 CCCCN([13CH3])CCO 269982a_100000198060_200025704644 [0,1,0,0,0,0|3,0,0]=4 1102 B8R0.1 CCCC[C@H](N)COC 34a_100011934283_200000210301 [0,1,0,0,0,0|1,0,1]=3 1103 B8R0.1 CCCC[C@H](N)CO[13CH3] 34a_100011934283_200025704644 [0,1,0,0,0,0|1,0,1]=3 1104 B8R0.1 CCCNC(=O)C=CBr 1626a_100020643023_100016273825 [0,1,0,0,0,0|2,0,1]=4 1105 B8R0.1 CCCNC(=O)C=CBr 240690a_100020643023_100016273825 [0,1,0,0,0,0|2,0,1]=4 1106 B8R0.1 CCCNC(=O)C=CCl 11a_100020643023_200016279998 [0,1,0,0,0,0|2,0,1]=4 1107 B8R0.1 CCCNC(=O)C=CCl 1626a_100020643023_200016279998 [0,1,0,0,0,0|2,0,1]=4 1108 B8R0.1 CCCNC(=O)C=CCl 240690a_100020643023_200016279998 [0,1,0,0,0,0|2,0,1]=4 1109 B8R0.1 CCCNC(=O)C=CI 1626a_100020643023_100016256311 [0,1,0,0,0,0|2,0,1]=4 1110 B8R0.1 CCCNC(=O)CC#N 1626a_100020643023_100051588842 [0,1,0,0,0,0|2,0,1]=4 1111 B8R0.1 CCCNC(=O)CC#N 240690a_100020643023_100051588842 [0,1,0,0,0,0|2,0,1]=4 1112 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [0,1,0,0,0,0|2,0,0]=3 1113 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [0,1,0,0,0,0|2,0,0]=3 1114 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [0,1,0,0,0,0|2,0,0]=3 1115 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [0,1,0,0,0,0|2,0,0]=3 1116 B8R0.1 CCCNC(=O)CCO 240690a_100020643023_100011216618 [0,1,0,0,0,0|2,0,0]=3 1117 B8R0.1 CCCNC(=O)CNC 2230a_100000174927_200000210301 [0,1,0,0,0,0|2,0,0]=3 1118 B8R0.1 CCCNC(=O)CNC 2230a_106832991635_100000183358 [0,1,0,0,0,0|2,0,0]=3 1119 B8R0.1 CCCNC(=O)CNC 34a_100102657272_100000183358 [0,1,0,0,0,0|2,0,0]=3 1120 B8R0.1 CCCNC(=O)CNC 7a_106832991635_100000183358 [0,1,0,0,0,0|2,0,0]=3 1121 B8R0.1 CCCNC(=O)CN[13CH3] 2230a_100000174927_200025704644 [0,1,0,0,0,0|2,0,0]=3 1122 B8R0.1 CCCNC(=O)COC 11a_100020643023_100000210968 [0,1,0,0,0,0|1,0,0]=2 1123 B8R0.1 CCCNC(=O)COC 1626a_100020643023_100000210968 [0,1,0,0,0,0|1,0,0]=2 1124 B8R0.1 CCCNC(=O)COC 240690a_100020643023_100000210968 [0,1,0,0,0,0|1,0,0]=2 1125 B8R0.1 CCCNC(=O)COC 34a_100138415774_100000183358 [0,1,0,0,0,0|1,0,0]=2 1126 B8R0.1 CCCNC(=O)COC 527a_100020643023_100000210968 [0,1,0,0,0,0|1,0,0]=2 1127 B8R0.1 CCCNC(=O)CSC 11a_100020643023_100000184570 [0,1,0,0,0,0|1,1,0]=3 1128 B8R0.1 CCCNC(=O)CSC 1626a_100020643023_100000184570 [0,1,0,0,0,0|1,1,0]=3 1129 B8R0.1 CCCNC(=O)CSC 240690a_100020643023_100000184570 [0,1,0,0,0,0|1,1,0]=3 1130 B8R0.1 CCCNC(=O)CSC 527a_100020643023_100000184570 [0,1,0,0,0,0|1,1,0]=3 1131 B8R0.1 CCCNC(=O)CSC 62a_100000183358_200000210301 [0,1,0,0,0,0|1,1,0]=3 1132 B8R0.1 CCCNC(=O)CSC 62a_200000210301_100000183358 [0,1,0,0,0,0|1,1,0]=3 1133 B8R0.1 CCCNC(=O)CS[13CH3] 62a_100000183358_200025704644 [0,1,0,0,0,0|1,1,0]=3 1134 B8R0.1 CCCNC(=O)CS[13CH3] 62a_200025704644_100000183358 [0,1,0,0,0,0|1,1,0]=3 1135 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [0,1,0,0,0,0|2,0,0]=3 1136 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [0,1,0,0,0,0|2,0,0]=3 1137 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [0,1,0,0,0,0|2,0,0]=3 1138 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [0,1,0,0,0,0|2,0,0]=3 1139 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [0,1,0,0,0,0|2,0,0]=3 1140 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [0,1,0,0,0,0|2,0,0]=3 1141 B8R0.1 CCCNC(=O)NNC 273464a_100020643023_100016993582 [0,1,0,0,0,0|2,0,0]=3 1142 B8R0.1 CCCNC(=O)NNC 512a_100016993582_100020643023 [0,1,0,0,0,0|2,0,0]=3 1143 B8R0.1 CCCNC(=O)NNC 512a_100020643023_100016993582 [0,1,0,0,0,0|2,0,0]=3 1144 B8R0.1 CCCNC(C)COC 270004a_100020643023_100000749346 [0,1,0,0,0,0|2,0,1]=4 1145 B8R0.1 CCCN[C@H](C)COC 2230a_100000764878_100000210303 [0,1,0,0,0,0|2,0,1]=4 1146 B8R0.1 CCCOC(=O)CNC 2230a_106832991635_200011215008 [0,1,0,0,0,0|2,0,0]=3 1147 B8R0.1 CCCOC(=O)CNC 34a_100102657272_200011215008 [0,1,0,0,0,0|2,0,0]=3 1148 B8R0.1 CCCOC(=O)CNC 7a_106832991635_200011215008 [0,1,0,0,0,0|2,0,0]=3 1149 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [0,1,0,0,0,0|1,0,0]=2 1150 B8R0.1 CCCOC(=O)CSC 62a_200000210301_200011215008 [0,1,0,0,0,0|1,1,0]=3 1151 B8R0.1 CCCOC(=O)CSC 62a_200011215008_200000210301 [0,1,0,0,0,0|1,1,0]=3 1152 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200011215008_200025704644 [0,1,0,0,0,0|1,1,0]=3 1153 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200025704644_200011215008 [0,1,0,0,0,0|1,1,0]=3 1154 B8R0.1 CCCOC(C)COC 34a_100000210258_100000765312 [0,1,0,0,0,0|2,0,1]=4 1155 B8R0.1 CCCO[C@H](C)COC 34a_100011934205_100000210303 [0,1,0,0,0,0|2,0,1]=4 1156 B8R0.1 CCCSC(C)COC 62a_100000210303_100000765312 [0,1,0,0,0,0|2,0,1]=4 1157 B8R0.1 CCCSC(C)COC 62a_100000765312_100000210303 [0,1,0,0,0,0|2,0,1]=4 1158 B8R0.1 CCNC(=O)CCC#N 11a_100015525214_100011934036 [0,1,0,0,0,0|2,0,1]=4 1159 B8R0.1 CCNC(=O)CCC#N 240690a_100015525214_100011934036 [0,1,0,0,0,0|2,0,1]=4 1160 B8R0.1 CCNC(=O)CCC#N 527a_100015525214_100011934036 [0,1,0,0,0,0|2,0,1]=4 1161 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [0,1,0,0,0,0|2,0,0]=3 1162 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [0,1,0,0,0,0|2,0,0]=3 1163 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [0,1,0,0,0,0|2,0,0]=3 1164 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [0,1,0,0,0,0|2,0,0]=3 1165 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [0,1,0,0,0,0|2,0,0]=3 1166 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [0,1,0,0,0,0|2,0,0]=3 1167 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [0,1,0,0,0,0|2,0,0]=3 1168 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [0,1,0,0,0,0|2,0,0]=3 1169 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [0,1,0,0,0,0|2,0,0]=3 1170 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [0,1,0,0,0,0|2,0,0]=3 1171 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [0,1,0,0,0,0|2,0,0]=3 1172 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [0,1,0,0,0,0|2,0,0]=3 1173 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [0,1,0,0,0,0|2,0,0]=3 1174 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [0,1,0,0,0,0|2,0,0]=3 1175 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [0,1,0,0,0,0|2,0,0]=3 1176 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [0,1,0,0,0,0|2,0,0]=3 1177 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [0,1,0,0,0,0|2,0,0]=3 1178 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [0,1,0,0,0,0|2,0,0]=3 1179 B8R0.1 CCNC(=O)CSCC 11a_100015525214_100000230394 [0,1,0,0,0,0|2,0,0]=3 1180 B8R0.1 CCNC(=O)CSCC 240690a_100015525214_100000230394 [0,1,0,0,0,0|2,0,0]=3 1181 B8R0.1 CCNC(=O)CSCC 527a_100015525214_100000230394 [0,1,0,0,0,0|2,0,0]=3 1182 B8R0.1 CCNC(=O)CSCC 62a_100000183381_100000210202 [0,1,0,0,0,0|2,0,0]=3 1183 B8R0.1 CCNC(=O)CSCC 62a_100000210202_100000183381 [0,1,0,0,0,0|2,0,0]=3 1184 B8R0.1 CCNC(=O)CSCF 62a_100000183381_100015361967 [0,1,0,0,0,0|3,0,0]=4 1185 B8R0.1 CCNC(=O)CSCF 62a_100015361967_100000183381 [0,1,0,0,0,0|3,0,0]=4 1186 B8R0.1 CCNC(=O)NCCF 2708a_100015525214_100000724931 [0,1,0,0,0,0|3,0,0]=4 1187 B8R0.1 CCNC(=O)NCCF 273464a_100000724931_100015525214 [0,1,0,0,0,0|3,0,0]=4 1188 B8R0.1 CCNC(=O)NCCF 273464a_100015525214_100000724931 [0,1,0,0,0,0|3,0,0]=4 1189 B8R0.1 CCNC(=O)NCCF 512a_100015525214_100000724931 [0,1,0,0,0,0|3,0,0]=4 1190 B8R0.1 CCNC(=O)NCCO 2708a_100015525214_100000210304 [0,1,0,0,0,0|3,0,0]=4 1191 B8R0.1 CCNC(=O)NCCO 273464a_100000210304_100015525214 [0,1,0,0,0,0|3,0,0]=4 1192 B8R0.1 CCNC(=O)NCCO 273464a_100015525214_100000210304 [0,1,0,0,0,0|3,0,0]=4 1193 B8R0.1 CCNC(=O)NCCO 512a_100015525214_100000210304 [0,1,0,0,0,0|3,0,0]=4 1194 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [0,1,0,0,0,0|2,0,0]=3 1195 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [0,1,0,0,0,0|2,0,0]=3 1196 B8R0.1 CCNCC(=O)NCO 2230a_100015525214_100000185155 [0,1,0,0,0,0|2,0,0]=3 1197 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [0,1,0,0,0,0|1,0,0]=2 1198 B8R0.1 CCNCC(O)COC 2230a_100000756049_100000210202 [0,1,0,0,0,0|1,0,2]=4 1199 B8R0.1 CCNCC(O)COC 34a_100000756049_100000210202 [0,1,0,0,0,0|1,0,2]=4 1200 B8R0.1 CCNN=C(C)COC 4a_100000756455_100000749346 [0,1,0,0,0,0|3,0,0]=4 1201 B8R0.1 CCNNC(=O)CCO 22a_100000756455_100011216618 [0,1,0,0,0,0|3,0,0]=4 1202 B8R0.1 CCNNC(=O)COC 22a_100000756455_100000210968 [0,1,0,0,0,0|2,0,0]=3 1203 B8R0.1 CCNNC(=O)CSC 22a_100000756455_100000184570 [0,1,0,0,0,0|2,1,0]=4 1204 B8R0.1 CCNNC(=O)NCC 273464a_100015525214_100000756455 [0,1,0,0,0,0|3,0,0]=4 1205 B8R0.1 CCNNC(=O)NCC 512a_100000756455_100015525214 [0,1,0,0,0,0|3,0,0]=4 1206 B8R0.1 CCNNC(=O)NCC 512a_100015525214_100000756455 [0,1,0,0,0,0|3,0,0]=4 1207 B8R0.1 CCNNC(=O)NNC 512a_100000756455_100016993582 [0,1,0,0,0,0|3,0,0]=4 1208 B8R0.1 CCNNC(=O)NNC 512a_100016993582_100000756455 [0,1,0,0,0,0|3,0,0]=4 1209 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [0,1,0,0,0,0|1,0,0]=2 1210 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [0,1,0,0,0,0|1,0,0]=2 1211 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [0,1,0,0,0,0|1,0,0]=2 1212 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [0,1,0,0,0,0|1,0,0]=2 1213 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [0,1,0,0,0,0|1,0,0]=2 1214 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [0,1,0,0,0,0|1,0,0]=2 1215 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [0,1,0,0,0,0|1,0,0]=2 1216 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [0,1,0,0,0,0|1,0,0]=2 1217 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [0,1,0,0,0,0|1,0,0]=2 1218 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [0,1,0,0,0,0|1,0,0]=2 1219 B8R0.1 CCOC(=O)CSCF 62a_100000188475_100015361967 [0,1,0,0,0,0|2,0,0]=3 1220 B8R0.1 CCOC(=O)CSCF 62a_100015361967_100000188475 [0,1,0,0,0,0|2,0,0]=3 1221 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [0,1,0,0,0,0|2,0,0]=3 1222 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [0,1,0,0,0,0|2,0,0]=3 1223 B8R0.1 CCOC(C)CCCCl 34a_200000718107_100000210202 [0,1,0,0,0,0|2,0,1]=4 1224 B8R0.1 CCOC(C)CCCCl 7a_200000718107_100000210202 [0,1,0,0,0,0|2,0,1]=4 1225 B8R0.1 CCOCC(=O)CC#N 1458a_100000211967_100011214920 [0,1,0,0,0,0|2,0,1]=4 1226 B8R0.1 CCOCC(=O)CCF 1458a_100000211967_100011217306 [0,1,0,0,0,0|2,0,0]=3 1227 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [0,1,0,0,0,0|2,0,0]=3 1228 B8R0.1 CCOCC(=O)NCO 34a_100121572206_100000185155 [0,1,0,0,0,0|2,0,0]=3 1229 B8R0.1 CCOCC(=O)NNC 22a_100016993582_100000211967 [0,1,0,0,0,0|2,0,0]=3 1230 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [0,1,0,0,0,0|1,0,0]=2 1231 B8R0.1 CCOCC(C)OCC 34a_100000718985_100000210202 [0,1,0,0,0,0|2,0,1]=4 1232 B8R0.1 CCOCC(C)OCC 7a_100000718985_100000210202 [0,1,0,0,0,0|2,0,1]=4 1233 B8R0.1 CCOCC(C)OCF 34a_100000718985_100015361967 [0,1,0,0,0,0|2,0,1]=4 1234 B8R0.1 CCOCC(C)OCF 7a_100000718985_100015361967 [0,1,0,0,0,0|2,0,1]=4 1235 B8R0.1 CCOCC(N)COC 34a_100000724102_100000210202 [0,1,0,0,0,0|2,0,1]=4 1236 B8R0.1 CCOCC(O)COC 34a_100121572206_100011215053 [0,1,0,0,0,0|1,0,2]=4 1237 B8R0.1 CCSCC(=O)CC#N 1458a_100000230394_100011214920 [0,1,0,0,0,0|2,0,1]=4 1238 B8R0.1 CCSCC(=O)CCF 1458a_100000230394_100011217306 [0,1,0,0,0,0|2,0,0]=3 1239 B8R0.1 CCSCC(=O)CCO 1458a_100000230394_100000211926 [0,1,0,0,0,0|2,0,0]=3 1240 B8R0.1 CCSCC(=O)NCO 62a_100000185155_100000210202 [0,1,0,0,0,0|2,0,0]=3 1241 B8R0.1 CCSCC(=O)NCO 62a_100000210202_100000185155 [0,1,0,0,0,0|2,0,0]=3 1242 B8R0.1 CCSCC(=O)NNC 22a_100016993582_100000230394 [0,1,0,0,0,0|2,0,0]=3 1243 B8R0.1 CCSCC(O)COC 62a_100000210202_100011215053 [0,1,0,0,0,0|1,0,2]=4 1244 B8R0.1 CCSCC(O)COC 62a_100011215053_100000210202 [0,1,0,0,0,0|1,0,2]=4 1245 B8R0.1 CNCC(=O)NCCF 2230a_100000725713_200000210301 [0,1,0,0,0,0|3,0,0]=4 1246 B8R0.1 CNNC(=O)CCC#N 22a_100016993582_100011934036 [0,1,0,0,0,0|2,0,1]=4 1247 B8R0.1 CNNC(=O)CCOC 22a_100016993582_100000749529 [0,1,0,0,0,0|2,0,0]=3 1248 B8R0.1 CNNC(=O)CCSC 22a_100016993582_100000174002 [0,1,0,0,0,0|2,0,0]=3 1249 B8R0.1 CNNC(=O)NCCF 273464a_100000724931_100016993582 [0,1,0,0,0,0|3,0,0]=4 1250 B8R0.1 CNNC(=O)NCCF 512a_100016993582_100000724931 [0,1,0,0,0,0|3,0,0]=4 1251 B8R0.1 CNNC(=O)NCCO 273464a_100000210304_100016993582 [0,1,0,0,0,0|3,0,0]=4 1252 B8R0.1 CNNC(=O)NCCO 512a_100016993582_100000210304 [0,1,0,0,0,0|3,0,0]=4 1253 B8R0.1 COCC(=O)CCC#N 1458a_100000210968_100011215226 [0,1,0,0,0,0|1,0,1]=3 1254 B8R0.1 COCC(=O)CCCF 1458a_100000210968_100011934791 [0,1,0,0,0,0|1,0,0]=2 1255 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [0,1,0,0,0,0|1,0,0]=2 1256 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [0,1,0,0,0,0|1,0,0]=2 1257 B8R0.1 COCC(=O)NCC#N 1626a_100000734998_100000210968 [0,1,0,0,0,0|2,0,1]=4 1258 B8R0.1 COCC(=O)NCC#N 527a_100000734998_100000210968 [0,1,0,0,0,0|2,0,1]=4 1259 B8R0.1 COCC(=O)NCCF 11a_100000724931_100000210968 [0,1,0,0,0,0|2,0,0]=3 1260 B8R0.1 COCC(=O)NCCF 1626a_100000724931_100000210968 [0,1,0,0,0,0|2,0,0]=3 1261 B8R0.1 COCC(=O)NCCF 240690a_100000724931_100000210968 [0,1,0,0,0,0|2,0,0]=3 1262 B8R0.1 COCC(=O)NCCF 527a_100000724931_100000210968 [0,1,0,0,0,0|2,0,0]=3 1263 B8R0.1 COCC(=O)NCCO 240690a_100000210304_100000210968 [0,1,0,0,0,0|2,0,0]=3 1264 B8R0.1 COCC(=O)NCCO 527a_100000210304_100000210968 [0,1,0,0,0,0|2,0,0]=3 1265 B8R0.1 COCCC(=O)C=CBr 1458a_100016273825_100000233755 [0,1,0,0,0,0|2,0,1]=4 1266 B8R0.1 COCCC(=O)C=CCl 1458a_200016279998_100000233755 [0,1,0,0,0,0|2,0,1]=4 1267 B8R0.1 COCCC(=O)C=CI 1458a_100016256311_100000233755 [0,1,0,0,0,0|2,0,1]=4 1268 B8R0.1 COCCC(=O)CC#N 1458a_100000749529_100011214920 [0,1,0,0,0,0|2,0,1]=4 1269 B8R0.1 COCCC(=O)CC#N 1458a_100051588842_100000233755 [0,1,0,0,0,0|2,0,1]=4 1270 B8R0.1 COCCC(=O)CCF 1458a_100000749529_100011217306 [0,1,0,0,0,0|2,0,0]=3 1271 B8R0.1 COCCC(=O)CCO 1458a_100000749529_100000211926 [0,1,0,0,0,0|2,0,0]=3 1272 B8R0.1 COCCC(=O)CCO 1458a_100011216618_100000233755 [0,1,0,0,0,0|2,0,0]=3 1273 B8R0.1 COCCC(=O)COC 1458a_100000210968_100000233755 [0,1,0,0,0,0|1,0,0]=2 1274 B8R0.1 COCCC(=O)CSC 1458a_100000184570_100000233755 [0,1,0,0,0,0|1,1,0]=3 1275 B8R0.1 COCCN(C)COC 2230a_100000743101_100000766300 [0,1,0,0,0,0|3,0,0]=4 1276 B8R0.1 COCCN(C)COC 269982a_100000743101_100000766300 [0,1,0,0,0,0|3,0,0]=4 1277 B8R0.1 COCN(C)CCCO 2230a_100000213112_100000766300 [0,1,0,0,0,0|3,0,0]=4 1278 B8R0.1 COCN(C)CCCO 269982a_100000213112_100000766300 [0,1,0,0,0,0|3,0,0]=4 1279 B8R0.1 COCN(C)CCSC 2230a_100000686725_100000766300 [0,1,0,0,0,0|3,0,0]=4 1280 B8R0.1 COCN(C)CCSC 269982a_100000686725_100000766300 [0,1,0,0,0,0|3,0,0]=4 1281 B8R0.1 COC[C@@H](N)CCSC 34a_100011827619_200000210301 [0,1,0,0,0,0|2,0,1]=4 1282 B8R0.1 CSCC(=O)CCC#N 1458a_100000184570_100011215226 [0,1,0,0,0,0|1,1,1]=4 1283 B8R0.1 CSCC(=O)CCCF 1458a_100000184570_100011934791 [0,1,0,0,0,0|1,1,0]=3 1284 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [0,1,0,0,0,0|1,1,0]=3 1285 B8R0.1 CSCC(=O)NCCF 11a_100000724931_100000184570 [0,1,0,0,0,0|2,1,0]=4 1286 B8R0.1 CSCC(=O)NCCF 1626a_100000724931_100000184570 [0,1,0,0,0,0|2,1,0]=4 1287 B8R0.1 CSCC(=O)NCCF 240690a_100000724931_100000184570 [0,1,0,0,0,0|2,1,0]=4 1288 B8R0.1 CSCC(=O)NCCF 527a_100000724931_100000184570 [0,1,0,0,0,0|2,1,0]=4 1289 B8R0.1 CSCC(=O)NCCO 240690a_100000210304_100000184570 [0,1,0,0,0,0|2,1,0]=4 1290 B8R0.1 CSCC(=O)NCCO 527a_100000210304_100000184570 [0,1,0,0,0,0|2,1,0]=4 1291 B8R0.1 CSCCC(=O)C=CBr 1458a_100016273825_100000751147 [0,1,0,0,0,0|2,0,1]=4 1292 B8R0.1 CSCCC(=O)C=CCl 1458a_200016279998_100000751147 [0,1,0,0,0,0|2,0,1]=4 1293 B8R0.1 CSCCC(=O)C=CI 1458a_100016256311_100000751147 [0,1,0,0,0,0|2,0,1]=4 1294 B8R0.1 CSCCC(=O)CC#N 1458a_100000174002_100011214920 [0,1,0,0,0,0|2,0,1]=4 1295 B8R0.1 CSCCC(=O)CC#N 1458a_100051588842_100000751147 [0,1,0,0,0,0|2,0,1]=4 1296 B8R0.1 CSCCC(=O)CCF 1458a_100000174002_100011217306 [0,1,0,0,0,0|2,0,0]=3 1297 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [0,1,0,0,0,0|2,0,0]=3 1298 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [0,1,0,0,0,0|2,0,0]=3 1299 B8R0.1 CSCCC(=O)CSC 1458a_100000184570_100000751147 [0,1,0,0,0,0|1,1,0]=3 1300 B8R0.1 CSCC[C@H](N)CO[13CH3] 34a_100011827619_200025704644 [0,1,0,0,0,0|2,0,1]=4 1301 B8R0.1 N#CCC(=O)CCCF 1458a_100051588842_100011934791 [0,1,0,0,0,0|2,0,1]=4 1302 B8R0.1 N#CCC(=O)CCCO 1458a_100051588842_100011215043 [0,1,0,0,0,0|2,0,1]=4 1303 B8R0.1 N#CCCC(=O)CCF 1458a_100011934036_100011217306 [0,1,0,0,0,0|2,0,1]=4 1304 B8R0.1 N#CCCC(=O)CCO 1458a_100011216618_100011215226 [0,1,0,0,0,0|2,0,1]=4 1305 B8R0.1 N#CCCC(=O)CCO 1458a_100011934036_100000211926 [0,1,0,0,0,0|2,0,1]=4 1306 B8R0.1 O=C(C=CBr)CCCF 1458a_100016273825_100011934791 [0,1,0,0,0,0|2,0,1]=4 1307 B8R0.1 O=C(C=CBr)CCCO 1458a_100016273825_100011215043 [0,1,0,0,0,0|2,0,1]=4 1308 B8R0.1 O=C(C=CCl)CCCF 1458a_200016279998_100011934791 [0,1,0,0,0,0|2,0,1]=4 1309 B8R0.1 O=C(C=CCl)CCCO 1458a_200016279998_100011215043 [0,1,0,0,0,0|2,0,1]=4 1310 B8R0.1 O=C(C=CI)CCCF 1458a_100016256311_100011934791 [0,1,0,0,0,0|2,0,1]=4 1311 B8R0.1 O=C(C=CI)CCCO 1458a_100016256311_100011215043 [0,1,0,0,0,0|2,0,1]=4 1312 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [0,1,0,0,0,0|2,0,0]=3 1313 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [0,1,0,0,0,0|2,0,0]=3 1314 B8R0.1 O=C(CCO)NCCF 240690a_100000724931_100011216618 [0,1,0,0,0,0|3,0,0]=4 1315 B8R0.1 O=C(CCO)NCCO 240690a_100000210304_100011216618 [0,1,0,0,0,0|3,0,0]=4 1316 B8R0.1 O=C(CSCF)NCO 62a_100000185155_100015361967 [0,1,0,0,0,0|3,0,0]=4 1317 B8R0.1 O=C(CSCF)NCO 62a_100015361967_100000185155 [0,1,0,0,0,0|3,0,0]=4 1318 B8R0.1 [13CH3]NCC(=O)NCCF 2230a_100000725713_200025704644 [0,1,0,0,0,0|3,0,0]=4 1319 B8R0.3 C#CC(=O)C(C)CCC 1458a_100000211873_100000766640 [0,1,0,0,0,0|1,0,1]=3 1320 B8R0.3 C#CC(=O)C(C)CCO 1458a_100000211873_100009893172 [0,1,0,0,0,0|2,0,1]=4 1321 B8R0.3 C#CC(=O)C(C)COC 1458a_100000211873_100000765312 [0,1,0,0,0,0|2,0,1]=4 1322 B8R0.3 C/C=C(\C)/C(=O)CCC 1458a_100020587367_100000210303 [0,1,0,0,0,0|2,0,1]=4 1323 B8R0.3 C/C=C(\C)/C(C)NCC 269862a_100015525214_100020675665 [0,1,0,0,0,0|3,0,0]=4 1324 B8R0.3 C=C(CNC)C(=O)OC 34a_100102657272_100009813391 [0,1,0,0,0,0|1,0,1]=3 1325 B8R0.3 C=C(COC)C(=O)OC 34a_100138415774_100009813391 [0,1,0,0,0,0|1,0,1]=3 1326 B8R0.3 C=C(CSC)C(=O)OC 62a_100009813391_200000210301 [0,1,0,0,0,0|1,0,1]=3 1327 B8R0.3 C=C(CSC)C(=O)OC 62a_200000210301_100009813391 [0,1,0,0,0,0|1,0,1]=3 1328 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_100009813391_200025704644 [0,1,0,0,0,0|1,0,1]=3 1329 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_200025704644_100009813391 [0,1,0,0,0,0|1,0,1]=3 1330 B8R0.3 C=CC(=O)C(C)CCC 1458a_100000185746_100000766640 [0,1,0,0,0,0|1,0,1]=3 1331 B8R0.3 C=CC(=O)C(C)CCO 1458a_100000185746_100009893172 [0,1,0,0,0,0|2,0,1]=4 1332 B8R0.3 C=CC(=O)C(C)COC 1458a_100000185746_100000765312 [0,1,0,0,0,0|2,0,1]=4 1333 B8R0.3 C=CC(=O)N(C)CCC 1626a_100000747261_100000185746 [0,1,0,0,0,0|2,0,1]=4 1334 B8R0.3 C=CC(=O)N(C)CCC 240690a_100000747261_200121576911 [0,1,0,0,0,0|2,0,1]=4 1335 B8R0.3 C=CCC(C)C(=O)CC 1458a_100011216819_100000210202 [0,1,0,0,0,0|1,0,2]=4 1336 B8R0.3 C=CCC(C)C(=O)NC 11a_106832991635_100011216819 [0,1,0,0,0,0|1,0,2]=4 1337 B8R0.3 C=CCC(C)C(=O)NC 1626a_100102657272_100011216819 [0,1,0,0,0,0|1,0,2]=4 1338 B8R0.3 C=CCC(C)C(=O)NC 240690a_100102657272_100011216819 [0,1,0,0,0,0|1,0,2]=4 1339 B8R0.3 C=CCC(C)C(=O)NC 527a_100102657272_100011216819 [0,1,0,0,0,0|1,0,2]=4 1340 B8R0.3 CC(CCO)C(=O)CO 1458a_100000210174_100009893172 [0,1,0,0,0,0|3,0,0]=4 1341 B8R0.3 CC/C=C(\C)/C(=O)CC 1458a_100016988807_100000210202 [0,1,0,0,0,0|1,0,2]=4 1342 B8R0.3 CC/C=C(\C)/C(=O)NC 11a_106832991635_100016988807 [0,1,0,0,0,0|1,0,2]=4 1343 B8R0.3 CC/C=C(\C)/C(=O)NC 1626a_100102657272_100016988807 [0,1,0,0,0,0|1,0,2]=4 1344 B8R0.3 CC/C=C(\C)/C(=O)NC 240690a_100102657272_100016988807 [0,1,0,0,0,0|1,0,2]=4 1345 B8R0.3 CC/C=C(\C)/C(=O)NC 527a_100102657272_100016988807 [0,1,0,0,0,0|1,0,2]=4 1346 B8R0.3 CCC(=O)C(C)CC#N 1458a_100000210414_100009813641 [0,1,0,0,0,0|2,0,1]=4 1347 B8R0.3 CCC(=O)C(C)CCO 1458a_100000210414_100009893172 [0,1,0,0,0,0|2,0,0]=3 1348 B8R0.3 CCC(=O)C(C)COC 1458a_100000210414_100000765312 [0,1,0,0,0,0|2,0,0]=3 1349 B8R0.3 CCC(=O)C(C)COC 1458a_100000751857_100000210202 [0,1,0,0,0,0|2,0,0]=3 1350 B8R0.3 CCC(=O)C(C)CSC 1458a_100000753918_100000210202 [0,1,0,0,0,0|2,0,0]=3 1351 B8R0.3 CCC(=O)C(C)SCF 62a_100000742827_100015361967 [0,1,0,0,0,0|3,0,0]=4 1352 B8R0.3 CCC(=O)C(C)SCF 62a_100015361967_100000742827 [0,1,0,0,0,0|3,0,0]=4 1353 B8R0.3 CCC(=O)N(C)CCO 240690a_100000210263_100000210414 [0,1,0,0,0,0|3,0,0]=4 1354 B8R0.3 CCC(=O)N(C)CCO 527a_100000210263_100000210414 [0,1,0,0,0,0|3,0,0]=4 1355 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [0,1,0,0,0,0|1,0,1]=3 1356 B8R0.3 CCCC(=O)C(C)OC 1458a_100000743197_100000210303 [0,1,0,0,0,0|1,0,2]=4 1357 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [0,1,0,0,0,0|1,0,0]=2 1358 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [0,1,0,0,0,0|1,0,0]=2 1359 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [0,1,0,0,0,0|2,0,0]=3 1360 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [0,1,0,0,0,0|2,0,0]=3 1361 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [0,1,0,0,0,0|1,0,0]=2 1362 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [0,1,0,0,0,0|1,0,0]=2 1363 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [0,1,0,0,0,0|1,0,0]=2 1364 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [0,1,0,0,0,0|1,0,0]=2 1365 B8R0.3 CCCC(C)C(C)NC 270004a_106832991635_100011216282 [0,1,0,0,0,0|2,0,1]=4 1366 B8R0.3 CCCC(C)C(C)OC 34a_100000708338_200000210301 [0,1,0,0,0,0|1,0,1]=3 1367 B8R0.3 CCCC(C)C(C)OC 7a_100000708338_200000210301 [0,1,0,0,0,0|1,0,1]=3 1368 B8R0.3 CCCC(C)C(C)O[13CH3] 34a_100000708338_200025704644 [0,1,0,0,0,0|1,0,1]=3 1369 B8R0.3 CCCC(C)C(C)O[13CH3] 7a_100000708338_200025704644 [0,1,0,0,0,0|1,0,1]=3 1370 B8R0.3 CCCC(C)N(C)CC 2230a_100000225621_100000766640 [0,1,0,0,0,0|3,0,0]=4 1371 B8R0.3 CCCC(C)N(C)CC 269982a_100000225621_100000766640 [0,1,0,0,0,0|3,0,0]=4 1372 B8R0.3 CCCN(C)C(=O)CC 11a_100000747261_100000210414 [0,1,0,0,0,0|2,0,0]=3 1373 B8R0.3 CCCN(C)C(=O)CC 1626a_100000747261_100000210414 [0,1,0,0,0,0|2,0,0]=3 1374 B8R0.3 CCCN(C)C(=O)CC 240690a_100000747261_100000210414 [0,1,0,0,0,0|2,0,0]=3 1375 B8R0.3 CCCN(C)C(=O)CC 527a_100000747261_100000210414 [0,1,0,0,0,0|2,0,0]=3 1376 B8R0.3 CCCN(C)C(=O)CO 240690a_100000747261_100000210174 [0,1,0,0,0,0|3,0,0]=4 1377 B8R0.3 CCCN(C)C(=O)CO 527a_100000747261_100000210174 [0,1,0,0,0,0|3,0,0]=4 1378 B8R0.3 CCCN(C)C(=O)NC 2708a_100102657272_100000747261 [0,1,0,0,0,0|2,0,0]=3 1379 B8R0.3 CCCN(C)C(=O)NC 273464a_100102657272_100000747261 [0,1,0,0,0,0|2,0,0]=3 1380 B8R0.3 CCCN(C)C(C)OC 269982a_100000747261_100009879195 [0,1,0,0,0,0|2,0,1]=4 1381 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [0,1,0,0,0,0|1,0,0]=2 1382 B8R0.3 CCC[C@H](O)C(=O)CF 1458a_100009822183_100015361967 [0,1,0,0,0,0|2,0,0]=3 1383 B8R0.3 CCC[C@H](O)C(=O)NC 240690a_100102657272_100009822183 [0,1,0,0,0,0|1,0,0]=2 1384 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [0,1,0,0,0,0|2,0,1]=4 1385 B8R0.3 CCNC(=O)C(=O)NC 1626a_100102657272_200011297158 [0,1,0,0,0,0|2,0,1]=4 1386 B8R0.3 CCNC(=O)C(=O)NC 240690a_100015525214_100011218921 [0,1,0,0,0,0|2,0,1]=4 1387 B8R0.3 CCNC(=O)C(=O)NC 240690a_100102657272_200011297158 [0,1,0,0,0,0|2,0,1]=4 1388 B8R0.3 CCNC(=O)C(=O)NC 527a_100015525214_100011218921 [0,1,0,0,0,0|2,0,1]=4 1389 B8R0.3 CCNC(=O)C(=O)NC 527a_100102657272_200011297158 [0,1,0,0,0,0|2,0,1]=4 1390 B8R0.3 CCNC(=O)C(=O)OC 11a_100015525214_100000024059 [0,1,0,0,0,0|1,0,1]=3 1391 B8R0.3 CCNC(=O)C(=O)OC 240690a_100015525214_100000024059 [0,1,0,0,0,0|1,0,1]=3 1392 B8R0.3 CCNC(=O)C(=O)OC 527a_100015525214_100000024059 [0,1,0,0,0,0|1,0,1]=3 1393 B8R0.3 CCNC(C)C(=O)CC 2230a_100015525214_100000742827 [0,1,0,0,0,0|2,0,0]=3 1394 B8R0.3 CCNC(C)C(=O)NC 2230a_100015525214_100000731044 [0,1,0,0,0,0|2,0,0]=3 1395 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [0,1,0,0,0,0|1,0,0]=2 1396 B8R0.3 CCNC(F)C(=O)NC 2230a_100015525214_100009813575 [0,1,0,0,0,0|2,0,0]=3 1397 B8R0.3 CCN[C@H](C)C(=O)NC 2230a_100000684985_100000210202 [0,1,0,0,0,0|2,0,0]=3 1398 B8R0.3 CCN[C@H](C)C(=O)NC 34a_100000684985_100000210202 [0,1,0,0,0,0|2,0,0]=3 1399 B8R0.3 CCOC(=O)C(=O)NC 11a_106832991635_100014798877 [0,1,0,0,0,0|2,0,1]=4 1400 B8R0.3 CCOC(=O)C(=O)NC 1626a_100102657272_100014798877 [0,1,0,0,0,0|2,0,1]=4 1401 B8R0.3 CCOC(=O)C(=O)NC 240690a_100102657272_100014798877 [0,1,0,0,0,0|2,0,1]=4 1402 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [0,1,0,0,0,0|2,0,0]=3 1403 B8R0.3 CCOC(C)C(=O)CF 1458a_100000739345_100015361967 [0,1,0,0,0,0|3,0,0]=4 1404 B8R0.3 CCOC(C)C(=O)NC 11a_106832991635_100000739345 [0,1,0,0,0,0|2,0,0]=3 1405 B8R0.3 CCOC(C)C(=O)NC 1626a_100102657272_100000739345 [0,1,0,0,0,0|2,0,0]=3 1406 B8R0.3 CCOC(C)C(=O)NC 240690a_100102657272_100000739345 [0,1,0,0,0,0|2,0,0]=3 1407 B8R0.3 CCOC(C)C(=O)NC 34a_100121572206_100000731044 [0,1,0,0,0,0|2,0,0]=3 1408 B8R0.3 CCOC(C)C(=O)NC 527a_100102657272_100000739345 [0,1,0,0,0,0|2,0,0]=3 1409 B8R0.3 CCOC(C)C(=O)NN 34a_100000725659_100000210202 [0,1,0,0,0,0|3,0,0]=4 1410 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [0,1,0,0,0,0|1,0,0]=2 1411 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [0,1,0,0,0,0|1,0,0]=2 1412 B8R0.3 CCOC(F)C(=O)NC 34a_100121572206_100009813575 [0,1,0,0,0,0|2,0,0]=3 1413 B8R0.3 CCSC(C)C(=O)CC 1458a_100000230601_100000210202 [0,1,0,0,0,0|2,0,0]=3 1414 B8R0.3 CCSC(C)C(=O)CC 62a_100000210202_100000742827 [0,1,0,0,0,0|2,0,0]=3 1415 B8R0.3 CCSC(C)C(=O)CC 62a_100000742827_100000210202 [0,1,0,0,0,0|2,0,0]=3 1416 B8R0.3 CCSC(C)C(=O)CF 1458a_100000230601_100015361967 [0,1,0,0,0,0|3,0,0]=4 1417 B8R0.3 CCSC(C)C(=O)NC 11a_106832991635_100000230601 [0,1,0,0,0,0|2,0,0]=3 1418 B8R0.3 CCSC(C)C(=O)NC 1626a_100102657272_100000230601 [0,1,0,0,0,0|2,0,0]=3 1419 B8R0.3 CCSC(C)C(=O)NC 240690a_100102657272_100000230601 [0,1,0,0,0,0|2,0,0]=3 1420 B8R0.3 CCSC(C)C(=O)NC 527a_100102657272_100000230601 [0,1,0,0,0,0|2,0,0]=3 1421 B8R0.3 CCSC(C)C(=O)NC 62a_100000209862_100000210202 [0,1,0,0,0,0|2,0,0]=3 1422 B8R0.3 CCSC(C)C(=O)NC 62a_100000210202_100000731044 [0,1,0,0,0,0|2,0,0]=3 1423 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [0,1,0,0,0,0|1,0,0]=2 1424 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [0,1,0,0,0,0|1,0,0]=2 1425 B8R0.3 CCSC(F)C(=O)NC 62a_100000210202_100009813575 [0,1,0,0,0,0|2,0,0]=3 1426 B8R0.3 CCSC(F)C(=O)NC 62a_100009813575_100000210202 [0,1,0,0,0,0|2,0,0]=3 1427 B8R0.3 CNC(=O)C(=O)CCF 1458a_100011218921_100011217306 [0,1,0,0,0,0|2,0,1]=4 1428 B8R0.3 CNC(=O)C(=O)CCO 1458a_100011218921_100000211926 [0,1,0,0,0,0|2,0,1]=4 1429 B8R0.3 CNC(=O)C(C)CN[13CH3] 2230a_100015187722_200025704644 [0,1,0,0,0,0|2,0,0]=3 1430 B8R0.3 CNC(=O)C(C)CN[13CH3] 34a_100015187722_200025704644 [0,1,0,0,0,0|2,0,0]=3 1431 B8R0.3 CNC(=O)C(C)COC 11a_106832991635_100000751857 [0,1,0,0,0,0|2,0,0]=3 1432 B8R0.3 CNC(=O)C(C)COC 1626a_100102657272_100000751857 [0,1,0,0,0,0|2,0,0]=3 1433 B8R0.3 CNC(=O)C(C)COC 240690a_100102657272_100000751857 [0,1,0,0,0,0|2,0,0]=3 1434 B8R0.3 CNC(=O)C(C)COC 527a_100102657272_100000751857 [0,1,0,0,0,0|2,0,0]=3 1435 B8R0.3 CNC(=O)C(C)CSC 11a_106832991635_100000753918 [0,1,0,0,0,0|2,0,0]=3 1436 B8R0.3 CNC(=O)C(C)CSC 1626a_100102657272_100000753918 [0,1,0,0,0,0|2,0,0]=3 1437 B8R0.3 CNC(=O)C(C)CSC 240690a_100102657272_100000753918 [0,1,0,0,0,0|2,0,0]=3 1438 B8R0.3 CNC(=O)C(C)CSC 527a_100102657272_100000753918 [0,1,0,0,0,0|2,0,0]=3 1439 B8R0.3 CNC(=O)C(C)SCF 62a_100000209862_100015361967 [0,1,0,0,0,0|3,0,0]=4 1440 B8R0.3 CNC(=O)C(C)SCF 62a_100015361967_100000731044 [0,1,0,0,0,0|3,0,0]=4 1441 B8R0.3 CNC(=O)C(F)SCF 62a_100009813575_100015361967 [0,1,0,0,0,0|3,0,0]=4 1442 B8R0.3 CNC(=O)C(F)SCF 62a_100015361967_100009813575 [0,1,0,0,0,0|3,0,0]=4 1443 B8R0.3 CNC(=O)N(C)CCO 2708a_100102657272_100000210263 [0,1,0,0,0,0|3,0,0]=4 1444 B8R0.3 CNC(=O)N(C)CCO 273464a_100102657272_100000210263 [0,1,0,0,0,0|3,0,0]=4 1445 B8R0.3 CNC(=O)[C@@H](C)NCF 34a_100000684985_100015361967 [0,1,0,0,0,0|3,0,0]=4 1446 B8R0.3 CNCC(=O)C(=O)OC 34a_100102657272_100011610305 [0,1,0,0,0,0|1,0,1]=3 1447 B8R0.3 CNCC(C)C(=O)NC 2230a_100015187722_200000210301 [0,1,0,0,0,0|2,0,0]=3 1448 B8R0.3 CNCC(C)C(=O)NC 34a_100015187722_200000210301 [0,1,0,0,0,0|2,0,0]=3 1449 B8R0.3 CNCC(C)C(=O)OC 34a_100102657272_100000698445 [0,1,0,0,0,0|1,0,0]=2 1450 B8R0.3 COC(=O)C(=O)CSC 62a_100011610305_200000210301 [0,1,0,0,0,0|1,0,1]=3 1451 B8R0.3 COC(=O)C(=O)CSC 62a_200000210301_100011610305 [0,1,0,0,0,0|1,0,1]=3 1452 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_100011610305_200025704644 [0,1,0,0,0,0|1,0,1]=3 1453 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_200025704644_100011610305 [0,1,0,0,0,0|1,0,1]=3 1454 B8R0.3 COC(=O)C(C)CO[13CH3] 34a_100000749362_200025704644 [0,1,0,0,0,0|1,0,0]=2 1455 B8R0.3 COC(=O)C(C)CO[13CH3] 7a_100000749362_200025704644 [0,1,0,0,0,0|1,0,0]=2 1456 B8R0.3 COC(=O)C(C)CSC 62a_100000698445_200000210301 [0,1,0,0,0,0|1,0,0]=2 1457 B8R0.3 COC(=O)C(C)CSC 62a_200000210301_100000698445 [0,1,0,0,0,0|1,0,0]=2 1458 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_100000698445_200025704644 [0,1,0,0,0,0|1,0,0]=2 1459 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_200025704644_100000698445 [0,1,0,0,0,0|1,0,0]=2 1460 B8R0.3 COC(=O)C(C)OCF 34a_100011215400_100015361967 [0,1,0,0,0,0|2,0,0]=3 1461 B8R0.3 COC(=O)C(C)SCF 62a_100000211248_100015361967 [0,1,0,0,0,0|2,0,0]=3 1462 B8R0.3 COC(=O)C(C)SCF 62a_100015361967_100000211248 [0,1,0,0,0,0|2,0,0]=3 1463 B8R0.3 COC(=O)C(F)CO[13CH3] 34a_200009849844_200025704644 [0,1,0,0,0,0|1,0,0]=2 1464 B8R0.3 COC(=O)[C@H](N)CO[13CH3] 34a_100000003586_200025704644 [0,1,0,0,0,0|1,0,0]=2 1465 B8R0.3 COCC(=O)C(=O)OC 34a_100138415774_100011610305 [0,1,0,0,0,0|1,0,1]=3 1466 B8R0.3 COCC(C)C(=O)CF 1458a_100000751857_100015361967 [0,1,0,0,0,0|3,0,0]=4 1467 B8R0.3 COCC(C)C(=O)CO 1458a_100000210174_100000765312 [0,1,0,0,0,0|3,0,0]=4 1468 B8R0.3 COCC(C)C(=O)OC 34a_100000749362_200000210301 [0,1,0,0,0,0|1,0,0]=2 1469 B8R0.3 COCC(C)C(=O)OC 34a_100138415774_100000698445 [0,1,0,0,0,0|1,0,0]=2 1470 B8R0.3 COCC(C)C(=O)OC 7a_100000749362_200000210301 [0,1,0,0,0,0|1,0,0]=2 1471 B8R0.3 COCC(F)C(=O)OC 34a_200009849844_200000210301 [0,1,0,0,0,0|1,0,0]=2 1472 B8R0.3 COCC(N)C(=O)NN 34a_100016989258_200000210301 [0,1,0,0,0,0|3,0,0]=4 1473 B8R0.3 COC[C@@H](N)C(=O)OC 34a_100000003586_200000210301 [0,1,0,0,0,0|1,0,0]=2 1474 B8R0.3 CSCC(C)C(=O)CF 1458a_100000753918_100015361967 [0,1,0,0,0,0|3,0,0]=4 1475 B8R0.3 [13CH3]OCC(N)C(=O)NN 34a_100016989258_200025704644 [0,1,0,0,0,0|3,0,0]=4 1476 B8R0.6 C#CC(=O)C/C=C\CC 1458a_100000211873_100103147603 [0,1,0,0,0,0|1,0,2]=4 1477 B8R0.6 C#CC(=O)CC#CCC 1458a_100000211873_100009813939 [0,1,0,0,0,0|1,0,2]=4 1478 B8R0.6 C#CC(=O)CCCC#N 1458a_100000211873_100000211468 [0,1,0,0,0,0|1,0,2]=4 1479 B8R0.6 C#CC(=O)CCCC=C 1458a_100000211873_100000757094 [0,1,0,0,0,0|1,0,2]=4 1480 B8R0.6 C#CC(=O)CCCCC 1458a_100000211873_100000210326 [0,1,0,0,0,0|1,0,1]=3 1481 B8R0.6 C#CC(=O)CCCCF 1458a_100000211873_100000729493 [0,1,0,0,0,0|1,0,1]=3 1482 B8R0.6 C#CC(=O)CCCCO 1458a_100000211873_100000210776 [0,1,0,0,0,0|1,0,1]=3 1483 B8R0.6 C#CC(=O)CCCOC 1458a_100000211873_100000740836 [0,1,0,0,0,0|1,0,1]=3 1484 B8R0.6 C#CC(=O)CCOCC 1458a_100000211873_100011215890 [0,1,0,0,0,0|1,0,1]=3 1485 B8R0.6 C#CC(=O)CCSCC 1458a_100000211873_100000757381 [0,1,0,0,0,0|1,0,1]=3 1486 B8R0.6 C#CCCCC(=O)C#C 1458a_100000211873_100000731252 [0,1,0,0,0,0|1,0,2]=4 1487 B8R0.6 C#CCCCC(=O)C=C 1458a_100000185746_100000731252 [0,1,0,0,0,0|1,0,2]=4 1488 B8R0.6 C#CCCCC(=O)CC 1458a_100000210414_100000731252 [0,1,0,0,0,0|1,0,1]=3 1489 B8R0.6 C#CCCCC(=O)CC 1458a_100000690238_100000210202 [0,1,0,0,0,0|1,0,1]=3 1490 B8R0.6 C#CCCCC(=O)CF 1458a_100000690238_100015361967 [0,1,0,0,0,0|2,0,1]=4 1491 B8R0.6 C#CCCCC(=O)CO 1458a_100000210174_100000731252 [0,1,0,0,0,0|2,0,1]=4 1492 B8R0.6 C#CCCCC(=O)NC 11a_106832991635_100000690238 [0,1,0,0,0,0|1,0,1]=3 1493 B8R0.6 C#CCCCC(=O)NC 1626a_100102657272_100000690238 [0,1,0,0,0,0|1,0,1]=3 1494 B8R0.6 C#CCCCC(=O)NC 240690a_100102657272_100000690238 [0,1,0,0,0,0|1,0,1]=3 1495 B8R0.6 C#CCCCC(=O)NC 527a_100102657272_100000690238 [0,1,0,0,0,0|1,0,1]=3 1496 B8R0.6 C#CCCNC(=O)CC 11a_100000755551_100000210414 [0,1,0,0,0,0|1,0,2]=4 1497 B8R0.6 C#CCCNC(=O)CC 1626a_100000755551_100000210414 [0,1,0,0,0,0|1,0,2]=4 1498 B8R0.6 C#CCCNC(=O)CC 240690a_100000755551_100000210414 [0,1,0,0,0,0|1,0,2]=4 1499 B8R0.6 C#CCCNC(=O)CC 527a_100000755551_100000210414 [0,1,0,0,0,0|1,0,2]=4 1500 B8R0.6 C#CCCNC(=O)NC 2708a_100000755551_106832991635 [0,1,0,0,0,0|1,0,2]=4 1501 B8R0.6 C#CCCNC(=O)NC 2708a_100102657272_100000755551 [0,1,0,0,0,0|1,0,2]=4 1502 B8R0.6 C#CCCNC(=O)NC 273464a_100000755551_100102657272 [0,1,0,0,0,0|1,0,2]=4 1503 B8R0.6 C#CCCNC(=O)NC 273464a_100102657272_100000755551 [0,1,0,0,0,0|1,0,2]=4 1504 B8R0.6 C#CCCNC(=O)NC 512a_100000755551_100102657272 [0,1,0,0,0,0|1,0,2]=4 1505 B8R0.6 C#CCCNC(=O)NC 512a_106832991638_100000755551 [0,1,0,0,0,0|1,0,2]=4 1506 B8R0.6 C#CCNCC(=O)NC 2230a_100000693194_100000038162 [0,1,0,0,0,0|1,0,2]=4 1507 B8R0.6 C#CCNCC(=O)NC 34a_100000212058_100000183359 [0,1,0,0,0,0|1,0,2]=4 1508 B8R0.6 C#CCNCC(=O)OC 34a_100000212058_100000747449 [0,1,0,0,0,0|0,0,2]=3 1509 B8R0.6 C#CCOCC(=O)CC 1458a_100011251226_100000210202 [0,1,0,0,0,0|1,0,2]=4 1510 B8R0.6 C#CCOCC(=O)CC 34a_100000725409_100000184674 [0,1,0,0,0,0|1,0,2]=4 1511 B8R0.6 C#CCOCC(=O)NC 11a_106832991635_100011251226 [0,1,0,0,0,0|1,0,2]=4 1512 B8R0.6 C#CCOCC(=O)NC 1626a_100102657272_100011251226 [0,1,0,0,0,0|1,0,2]=4 1513 B8R0.6 C#CCOCC(=O)NC 34a_100000210247_100000183359 [0,1,0,0,0,0|1,0,2]=4 1514 B8R0.6 C#CCOCC(=O)NC 34a_100000750040_100000184674 [0,1,0,0,0,0|1,0,2]=4 1515 B8R0.6 C#CCOCC(=O)NC 527a_100102657272_100011251226 [0,1,0,0,0,0|1,0,2]=4 1516 B8R0.6 C#CCOCC(=O)OC 34a_100000210247_100000747449 [0,1,0,0,0,0|0,0,2]=3 1517 B8R0.6 C#CCSCC(=O)CC 62a_100000038162_100000747405 [0,1,0,0,0,0|1,0,2]=4 1518 B8R0.6 C#CCSCC(=O)NC 62a_100000038162_100000183359 [0,1,0,0,0,0|1,0,2]=4 1519 B8R0.6 C#CCSCC(=O)OC 62a_100000038162_100000747449 [0,1,0,0,0,0|0,0,2]=3 1520 B8R0.6 C=C(C#N)COCCC 34a_100000210258_100000694840 [0,1,0,0,0,0|3,0,0]=4 1521 B8R0.6 C=C(C#N)CSCCC 62a_100000210303_100000694840 [0,1,0,0,0,0|3,0,0]=4 1522 B8R0.6 C=CC(=O)C/C=C\CC 1458a_100000185746_100103147603 [0,1,0,0,0,0|1,0,2]=4 1523 B8R0.6 C=CC(=O)CC#CCC 1458a_100000185746_100009813939 [0,1,0,0,0,0|1,0,2]=4 1524 B8R0.6 C=CC(=O)CCCC#N 1458a_100000185746_100000211468 [0,1,0,0,0,0|1,0,2]=4 1525 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [0,1,0,0,0,0|1,0,1]=3 1526 B8R0.6 C=CC(=O)CCCCF 1458a_100000185746_100000729493 [0,1,0,0,0,0|1,0,1]=3 1527 B8R0.6 C=CC(=O)CCCCO 1458a_100000185746_100000210776 [0,1,0,0,0,0|1,0,1]=3 1528 B8R0.6 C=CC(=O)CCCOC 1458a_100000185746_100000740836 [0,1,0,0,0,0|1,0,1]=3 1529 B8R0.6 C=CC(=O)CCOCC 1458a_100000185746_100011215890 [0,1,0,0,0,0|1,0,1]=3 1530 B8R0.6 C=CC(=O)CCSCC 1458a_100000185746_100000757381 [0,1,0,0,0,0|1,0,1]=3 1531 B8R0.6 C=CC(=O)NCCCC 1626a_100000102301_100000185746 [0,1,0,0,0,0|1,0,1]=3 1532 B8R0.6 C=CC(=O)NCCCC 240690a_100000102301_200121576911 [0,1,0,0,0,0|1,0,1]=3 1533 B8R0.6 C=CC(=O)NCCCF 1626a_100015189416_100000185746 [0,1,0,0,0,0|2,0,1]=4 1534 B8R0.6 C=CC(=O)NCCCF 240690a_100015189416_200121576911 [0,1,0,0,0,0|2,0,1]=4 1535 B8R0.6 C=CC(=O)NCCCO 240690a_100000182051_200121576911 [0,1,0,0,0,0|2,0,1]=4 1536 B8R0.6 C=CC(=O)NCCNC 2230a_114873766552_200000210301 [0,1,0,0,0,0|2,0,1]=4 1537 B8R0.6 C=CC(=O)NCCN[13CH3] 2230a_114873766552_200025704644 [0,1,0,0,0,0|2,0,1]=4 1538 B8R0.6 C=CC(=O)NCCOC 1626a_100000209980_100000185746 [0,1,0,0,0,0|2,0,1]=4 1539 B8R0.6 C=CC(=O)NCCOC 240690a_100000209980_200121576911 [0,1,0,0,0,0|2,0,1]=4 1540 B8R0.6 C=CC(=O)NCCOC 34a_100011304386_200000210301 [0,1,0,0,0,0|2,0,1]=4 1541 B8R0.6 C=CC(=O)NCCO[13CH3] 34a_100011304386_200025704644 [0,1,0,0,0,0|2,0,1]=4 1542 B8R0.6 C=CC(=O)NCCSC 1626a_100020590264_100000185746 [0,1,0,0,0,0|2,0,1]=4 1543 B8R0.6 C=CC(=O)NCCSC 240690a_100020590264_200121576911 [0,1,0,0,0,0|2,0,1]=4 1544 B8R0.6 C=CC(=O)NNCCC 22a_100000740057_100000185746 [0,1,0,0,0,0|2,0,1]=4 1545 B8R0.6 C=CC(=O)OCCNC 2230a_106832991635_100009813456 [0,1,0,0,0,0|2,0,1]=4 1546 B8R0.6 C=CC(=O)OCCNC 34a_100102657272_100009813456 [0,1,0,0,0,0|2,0,1]=4 1547 B8R0.6 C=CC(=O)OCCNC 7a_106832991635_100009813456 [0,1,0,0,0,0|2,0,1]=4 1548 B8R0.6 C=CC(=O)OCCOC 34a_100138415774_100009813456 [0,1,0,0,0,0|2,0,1]=4 1549 B8R0.6 C=CC(=O)OCCSC 62a_100009813456_200000210301 [0,1,0,0,0,0|2,0,1]=4 1550 B8R0.6 C=CC(=O)OCCSC 62a_200000210301_100009813456 [0,1,0,0,0,0|2,0,1]=4 1551 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_100009813456_200025704644 [0,1,0,0,0,0|2,0,1]=4 1552 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_200025704644_100009813456 [0,1,0,0,0,0|2,0,1]=4 1553 B8R0.6 C=CCCCC(=O)C=C 1458a_100000185746_100000757094 [0,1,0,0,0,0|1,0,2]=4 1554 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [0,1,0,0,0,0|1,0,1]=3 1555 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [0,1,0,0,0,0|1,0,1]=3 1556 B8R0.6 C=CCCCC(=O)CF 1458a_100000766728_100015361967 [0,1,0,0,0,0|2,0,1]=4 1557 B8R0.6 C=CCCCC(=O)CO 1458a_100000210174_100000757094 [0,1,0,0,0,0|2,0,1]=4 1558 B8R0.6 C=CCCCC(=O)NC 11a_106832991635_100000766728 [0,1,0,0,0,0|1,0,1]=3 1559 B8R0.6 C=CCCCC(=O)NC 1626a_100102657272_100000766728 [0,1,0,0,0,0|1,0,1]=3 1560 B8R0.6 C=CCCCC(=O)NC 240690a_100102657272_100000766728 [0,1,0,0,0,0|1,0,1]=3 1561 B8R0.6 C=CCCCC(=O)NC 527a_100102657272_100000766728 [0,1,0,0,0,0|1,0,1]=3 1562 B8R0.6 C=CCCNC(=O)CC 11a_100015191253_100000210414 [0,1,0,0,0,0|1,0,2]=4 1563 B8R0.6 C=CCCNC(=O)CC 1626a_100015191253_100000210414 [0,1,0,0,0,0|1,0,2]=4 1564 B8R0.6 C=CCCNC(=O)CC 240690a_100015191253_100000210414 [0,1,0,0,0,0|1,0,2]=4 1565 B8R0.6 C=CCCNC(=O)CC 527a_100015191253_100000210414 [0,1,0,0,0,0|1,0,2]=4 1566 B8R0.6 C=CCCNC(=O)NC 2708a_100015191253_106832991635 [0,1,0,0,0,0|1,0,2]=4 1567 B8R0.6 C=CCCNC(=O)NC 2708a_100102657272_100015191253 [0,1,0,0,0,0|1,0,2]=4 1568 B8R0.6 C=CCCNC(=O)NC 273464a_100015191253_100102657272 [0,1,0,0,0,0|1,0,2]=4 1569 B8R0.6 C=CCCNC(=O)NC 273464a_100102657272_100015191253 [0,1,0,0,0,0|1,0,2]=4 1570 B8R0.6 C=CCCNC(=O)NC 512a_100015191253_100102657272 [0,1,0,0,0,0|1,0,2]=4 1571 B8R0.6 C=CCCNC(=O)NC 512a_106832991638_100015191253 [0,1,0,0,0,0|1,0,2]=4 1572 B8R0.6 C=CCNCC(=O)NC 2230a_100000693194_100000210623 [0,1,0,0,0,0|1,0,2]=4 1573 B8R0.6 C=CCNCC(=O)NC 2230a_100020586998_100000183359 [0,1,0,0,0,0|1,0,2]=4 1574 B8R0.6 C=CCNCC(=O)OC 2230a_100020586998_100000747449 [0,1,0,0,0,0|0,0,2]=3 1575 B8R0.6 C=CCOCC(=O)CC 34a_100000725409_100015514636 [0,1,0,0,0,0|1,0,2]=4 1576 B8R0.6 C=CCOCC(=O)NC 34a_100000750040_100015514636 [0,1,0,0,0,0|1,0,2]=4 1577 B8R0.6 C=CCOCC(=O)NC 34a_200000210373_100000183359 [0,1,0,0,0,0|1,0,2]=4 1578 B8R0.6 C=CCOCC(=O)OC 34a_200000210373_100000747449 [0,1,0,0,0,0|0,0,2]=3 1579 B8R0.6 C=CCSCC(=O)CC 1458a_100000230395_100000210202 [0,1,0,0,0,0|1,0,2]=4 1580 B8R0.6 C=CCSCC(=O)CC 62a_100000210623_100000747405 [0,1,0,0,0,0|1,0,2]=4 1581 B8R0.6 C=CCSCC(=O)CC 62a_100000747405_100000210623 [0,1,0,0,0,0|1,0,2]=4 1582 B8R0.6 C=CCSCC(=O)NC 11a_106832991635_100000230395 [0,1,0,0,0,0|1,0,2]=4 1583 B8R0.6 C=CCSCC(=O)NC 1626a_100102657272_100000230395 [0,1,0,0,0,0|1,0,2]=4 1584 B8R0.6 C=CCSCC(=O)NC 240690a_100102657272_100000230395 [0,1,0,0,0,0|1,0,2]=4 1585 B8R0.6 C=CCSCC(=O)NC 527a_100102657272_100000230395 [0,1,0,0,0,0|1,0,2]=4 1586 B8R0.6 C=CCSCC(=O)NC 62a_100000183359_100000210623 [0,1,0,0,0,0|1,0,2]=4 1587 B8R0.6 C=CCSCC(=O)NC 62a_100000210623_100000183359 [0,1,0,0,0,0|1,0,2]=4 1588 B8R0.6 C=CCSCC(=O)OC 62a_100000210623_100000747449 [0,1,0,0,0,0|0,0,2]=3 1589 B8R0.6 C=CCSCC(=O)OC 62a_100000747449_100000210623 [0,1,0,0,0,0|0,0,2]=3 1590 B8R0.6 C=COCCC(=O)CC 1458a_100000210414_100000039644 [0,1,0,0,0,0|1,0,2]=4 1591 B8R0.6 CC#CCNC(=O)CC 11a_100000685387_100000210414 [0,1,0,0,0,0|1,0,2]=4 1592 B8R0.6 CC#CCNC(=O)CC 1626a_100000685387_100000210414 [0,1,0,0,0,0|1,0,2]=4 1593 B8R0.6 CC#CCNC(=O)CC 527a_100000685387_100000210414 [0,1,0,0,0,0|1,0,2]=4 1594 B8R0.6 CC#CCNC(=O)NC 2708a_100102657272_100000685387 [0,1,0,0,0,0|1,0,2]=4 1595 B8R0.6 CC#CCNC(=O)NC 273464a_100000685387_100102657272 [0,1,0,0,0,0|1,0,2]=4 1596 B8R0.6 CC#CCNC(=O)NC 273464a_100102657272_100000685387 [0,1,0,0,0,0|1,0,2]=4 1597 B8R0.6 CC#CCNC(=O)NC 512a_100000685387_100102657272 [0,1,0,0,0,0|1,0,2]=4 1598 B8R0.6 CC#CCNC(=O)NC 512a_106832991638_100000685387 [0,1,0,0,0,0|1,0,2]=4 1599 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [0,1,0,0,0,0|1,0,1]=3 1600 B8R0.6 CC/C=C/CC(=O)CF 1458a_100016274230_100015361967 [0,1,0,0,0,0|2,0,1]=4 1601 B8R0.6 CC/C=C/CC(=O)NC 11a_106832991635_100016274230 [0,1,0,0,0,0|1,0,1]=3 1602 B8R0.6 CC/C=C/CC(=O)NC 1626a_100102657272_100016274230 [0,1,0,0,0,0|1,0,1]=3 1603 B8R0.6 CC/C=C/CC(=O)NC 240690a_100102657272_100016274230 [0,1,0,0,0,0|1,0,1]=3 1604 B8R0.6 CC/C=C/CC(=O)NC 527a_100102657272_100016274230 [0,1,0,0,0,0|1,0,1]=3 1605 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [0,1,0,0,0,0|1,0,1]=3 1606 B8R0.6 CC/C=C\CC(=O)CO 1458a_100000210174_100103147603 [0,1,0,0,0,0|2,0,1]=4 1607 B8R0.6 CCC#CCC(=O)CC 1458a_100000210414_100009813939 [0,1,0,0,0,0|1,0,1]=3 1608 B8R0.6 CCC#CCC(=O)CO 1458a_100000210174_100009813939 [0,1,0,0,0,0|2,0,1]=4 1609 B8R0.6 CCC#CCC(C)OC 34a_200000035118_200000210301 [0,1,0,0,0,0|1,0,2]=4 1610 B8R0.6 CCC#CCC(C)OC 7a_200000035118_200000210301 [0,1,0,0,0,0|1,0,2]=4 1611 B8R0.6 CCC#CCC(C)O[13CH3] 34a_200000035118_200025704644 [0,1,0,0,0,0|1,0,2]=4 1612 B8R0.6 CCC#CCC(C)O[13CH3] 7a_200000035118_200025704644 [0,1,0,0,0,0|1,0,2]=4 1613 B8R0.6 CCC(=O)C=CCOC 1458a_100016285016_100000210202 [0,1,0,0,0,0|1,0,2]=4 1614 B8R0.6 CCC(=O)CC#CCO 1458a_100000210414_200000047223 [0,1,0,0,0,0|1,0,2]=4 1615 B8R0.6 CCC(=O)CCCC#N 1458a_100000075515_100000210202 [0,1,0,0,0,0|1,0,1]=3 1616 B8R0.6 CCC(=O)CCCC#N 1458a_100000210414_100000211468 [0,1,0,0,0,0|1,0,1]=3 1617 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [0,1,0,0,0,0|1,0,0]=2 1618 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [0,1,0,0,0,0|1,0,0]=2 1619 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [0,1,0,0,0,0|1,0,0]=2 1620 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [0,1,0,0,0,0|1,0,0]=2 1621 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [0,1,0,0,0,0|1,0,0]=2 1622 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [0,1,0,0,0,0|1,0,0]=2 1623 B8R0.6 CCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210202 [0,1,0,0,0,0|3,0,0]=4 1624 B8R0.6 CCC(=O)COCC=O 34a_100000725409_200009817547 [0,1,0,0,0,0|2,0,1]=4 1625 B8R0.6 CCC(=O)COCCF 34a_100000725409_100011217306 [0,1,0,0,0,0|2,0,0]=3 1626 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [0,1,0,0,0,0|2,0,0]=3 1627 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [0,1,0,0,0,0|2,0,0]=3 1628 B8R0.6 CCC(=O)COCSC 34a_100000725409_100011218213 [0,1,0,0,0,0|2,0,0]=3 1629 B8R0.6 CCC(=O)CSCC#N 1458a_100000150266_100000210202 [0,1,0,0,0,0|2,0,1]=4 1630 B8R0.6 CCC(=O)CSCC#N 62a_100000747405_100011215382 [0,1,0,0,0,0|2,0,1]=4 1631 B8R0.6 CCC(=O)CSCC#N 62a_100011215382_100000747405 [0,1,0,0,0,0|2,0,1]=4 1632 B8R0.6 CCC(=O)CSCC=O 62a_100000747405_200015260668 [0,1,0,0,0,0|2,0,1]=4 1633 B8R0.6 CCC(=O)CSCC=O 62a_200015260668_100000747405 [0,1,0,0,0,0|2,0,1]=4 1634 B8R0.6 CCC(=O)CSCCF 62a_100000747405_100011217306 [0,1,0,0,0,0|2,0,0]=3 1635 B8R0.6 CCC(=O)CSCCF 62a_100011217306_100000747405 [0,1,0,0,0,0|2,0,0]=3 1636 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [0,1,0,0,0,0|2,0,0]=3 1637 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [0,1,0,0,0,0|2,0,0]=3 1638 B8R0.6 CCC(=O)CSCOC 62a_100000747405_100000766300 [0,1,0,0,0,0|2,0,0]=3 1639 B8R0.6 CCC(=O)CSCOC 62a_100000766300_100000747405 [0,1,0,0,0,0|2,0,0]=3 1640 B8R0.6 CCC(=O)CSCSC 62a_100000747405_100011218213 [0,1,0,0,0,0|2,0,0]=3 1641 B8R0.6 CCC(=O)CSCSC 62a_100011218213_100000747405 [0,1,0,0,0,0|2,0,0]=3 1642 B8R0.6 CCC(=O)NCCC#N 11a_100000720768_100000210414 [0,1,0,0,0,0|2,0,1]=4 1643 B8R0.6 CCC(=O)NCCC#N 1626a_100000720768_100000210414 [0,1,0,0,0,0|2,0,1]=4 1644 B8R0.6 CCC(=O)NCCC#N 240690a_100000720768_100000210414 [0,1,0,0,0,0|2,0,1]=4 1645 B8R0.6 CCC(=O)NCCC#N 527a_100000720768_100000210414 [0,1,0,0,0,0|2,0,1]=4 1646 B8R0.6 CCC(=O)NCCCF 11a_100015189416_100000210414 [0,1,0,0,0,0|2,0,0]=3 1647 B8R0.6 CCC(=O)NCCCF 1626a_100015189416_100000210414 [0,1,0,0,0,0|2,0,0]=3 1648 B8R0.6 CCC(=O)NCCCF 240690a_100015189416_100000210414 [0,1,0,0,0,0|2,0,0]=3 1649 B8R0.6 CCC(=O)NCCCF 527a_100015189416_100000210414 [0,1,0,0,0,0|2,0,0]=3 1650 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [0,1,0,0,0,0|2,0,0]=3 1651 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [0,1,0,0,0,0|2,0,0]=3 1652 B8R0.6 CCC(=O)NCCNC 34a_100132302217_200000210301 [0,1,0,0,0,0|2,0,0]=3 1653 B8R0.6 CCC(=O)NCCN[13CH3] 34a_100132302217_200025704644 [0,1,0,0,0,0|2,0,0]=3 1654 B8R0.6 CCC(=O)NCCOC 1626a_100000209980_100000210414 [0,1,0,0,0,0|2,0,0]=3 1655 B8R0.6 CCC(=O)NCCOC 240690a_100000209980_100000210414 [0,1,0,0,0,0|2,0,0]=3 1656 B8R0.6 CCC(=O)NCCOC 34a_200000158885_200000210301 [0,1,0,0,0,0|2,0,0]=3 1657 B8R0.6 CCC(=O)NCCOC 527a_100000209980_100000210414 [0,1,0,0,0,0|2,0,0]=3 1658 B8R0.6 CCC(=O)NCCOC 7a_200000158885_200000210301 [0,1,0,0,0,0|2,0,0]=3 1659 B8R0.6 CCC(=O)NCCO[13CH3] 34a_200000158885_200025704644 [0,1,0,0,0,0|2,0,0]=3 1660 B8R0.6 CCC(=O)NCCO[13CH3] 7a_200000158885_200025704644 [0,1,0,0,0,0|2,0,0]=3 1661 B8R0.6 CCC(=O)NCCSC 11a_100020590264_100000210414 [0,1,0,0,0,0|2,0,0]=3 1662 B8R0.6 CCC(=O)NCCSC 1626a_100020590264_100000210414 [0,1,0,0,0,0|2,0,0]=3 1663 B8R0.6 CCC(=O)NCCSC 240690a_100020590264_100000210414 [0,1,0,0,0,0|2,0,0]=3 1664 B8R0.6 CCC(=O)NCCSC 527a_100020590264_100000210414 [0,1,0,0,0,0|2,0,0]=3 1665 B8R0.6 CCC(=O)NNCCO 22a_100000210001_100000210414 [0,1,0,0,0,0|3,0,0]=4 1666 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [0,1,0,0,0,0|2,0,0]=3 1667 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [0,1,0,0,0,0|2,0,0]=3 1668 B8R0.6 CCC(C)CCCOC 7a_100011216074_200000210301 [0,1,0,0,0,0|2,0,1]=4 1669 B8R0.6 CCC(C)CCCO[13CH3] 7a_100011216074_200025704644 [0,1,0,0,0,0|2,0,1]=4 1670 B8R0.6 CCC=NNC(=O)CC 4a_100000183195_100000210100 [0,1,0,0,0,0|2,0,1]=4 1671 B8R0.6 CCCC#CC(=O)CC 1458a_200011218047_100000210202 [0,1,0,0,0,0|1,0,1]=3 1672 B8R0.6 CCCC#CC(=O)CF 1458a_200011218047_100015361967 [0,1,0,0,0,0|2,0,1]=4 1673 B8R0.6 CCCC#CC(=O)NC 240690a_100102657272_200011218047 [0,1,0,0,0,0|1,0,1]=3 1674 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [0,1,0,0,0,0|1,0,1]=3 1675 B8R0.6 CCCC=CC(=O)CF 1458a_100000212230_100015361967 [0,1,0,0,0,0|2,0,1]=4 1676 B8R0.6 CCCC=CC(=O)NC 11a_106832991635_100000212230 [0,1,0,0,0,0|1,0,1]=3 1677 B8R0.6 CCCC=CC(=O)NC 1626a_100102657272_100000212230 [0,1,0,0,0,0|1,0,1]=3 1678 B8R0.6 CCCC=CC(=O)NC 240690a_100102657272_100000212230 [0,1,0,0,0,0|1,0,1]=3 1679 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [0,1,0,0,0,0|1,0,0]=2 1680 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [0,1,0,0,0,0|1,0,0]=2 1681 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [0,1,0,0,0,0|2,0,0]=3 1682 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [0,1,0,0,0,0|2,0,0]=3 1683 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [0,1,0,0,0,0|1,0,0]=2 1684 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [0,1,0,0,0,0|1,0,0]=2 1685 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [0,1,0,0,0,0|1,0,0]=2 1686 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [0,1,0,0,0,0|1,0,0]=2 1687 B8R0.6 CCCCCC(C)NC 2230a_100000211957_200000210301 [0,1,0,0,0,0|2,0,1]=4 1688 B8R0.6 CCCCCC(C)NC 2230a_106832991635_200011218191 [0,1,0,0,0,0|2,0,1]=4 1689 B8R0.6 CCCCCC(C)NC 270004a_106832991635_100000211708 [0,1,0,0,0,0|2,0,1]=4 1690 B8R0.6 CCCCCC(C)NC 34a_100102657272_200011218191 [0,1,0,0,0,0|2,0,1]=4 1691 B8R0.6 CCCCCC(C)NC 7a_106832991635_200011218191 [0,1,0,0,0,0|2,0,1]=4 1692 B8R0.6 CCCCCC(C)N[13CH3] 2230a_100000211957_200025704644 [0,1,0,0,0,0|2,0,1]=4 1693 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [0,1,0,0,0,0|1,0,1]=3 1694 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [0,1,0,0,0,0|1,0,1]=3 1695 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [0,1,0,0,0,0|1,0,1]=3 1696 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [0,1,0,0,0,0|1,0,1]=3 1697 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [0,1,0,0,0,0|1,0,1]=3 1698 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [0,1,0,0,0,0|1,1,1]=4 1699 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [0,1,0,0,0,0|1,1,1]=4 1700 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [0,1,0,0,0,0|1,1,1]=4 1701 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [0,1,0,0,0,0|1,1,1]=4 1702 B8R0.6 CCCCCN(C)CC 2230a_100000223495_100000210202 [0,1,0,0,0,0|3,0,0]=4 1703 B8R0.6 CCCCCN(C)CC 2230a_100000225621_100000210326 [0,1,0,0,0,0|3,0,0]=4 1704 B8R0.6 CCCCCN(C)CC 269982a_100000223495_100000204670 [0,1,0,0,0,0|3,0,0]=4 1705 B8R0.6 CCCCCN(C)CC 269982a_100000225621_100000210215 [0,1,0,0,0,0|3,0,0]=4 1706 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [0,1,0,0,0,0|1,0,0]=2 1707 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [0,1,0,0,0,0|1,0,0]=2 1708 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [0,1,0,0,0,0|1,0,0]=2 1709 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [0,1,0,0,0,0|1,0,0]=2 1710 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [0,1,0,0,0,0|2,0,0]=3 1711 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [0,1,0,0,0,0|2,0,0]=3 1712 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [0,1,0,0,0,0|1,0,0]=2 1713 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [0,1,0,0,0,0|1,0,0]=2 1714 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [0,1,0,0,0,0|1,0,0]=2 1715 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [0,1,0,0,0,0|1,0,0]=2 1716 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [0,1,0,0,0,0|1,0,0]=2 1717 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [0,1,0,0,0,0|1,0,0]=2 1718 B8R0.6 CCCCNC(C)CC 2230a_100000102301_100000758301 [0,1,0,0,0,0|2,0,1]=4 1719 B8R0.6 CCCCNC(C)CC 2230a_100000209981_100000210211 [0,1,0,0,0,0|2,0,1]=4 1720 B8R0.6 CCCCNC(C)CC 7a_106832991798_100000758301 [0,1,0,0,0,0|2,0,1]=4 1721 B8R0.6 CCCCOC(C)CC 34a_100000210227_100011215416 [0,1,0,0,0,0|2,0,1]=4 1722 B8R0.6 CCCCOC(C)CC 7a_100000210227_100000758301 [0,1,0,0,0,0|2,0,1]=4 1723 B8R0.6 CCCCOC(C)CC 7a_100000210228_100000210211 [0,1,0,0,0,0|2,0,1]=4 1724 B8R0.6 CCCCSC(C)CC 62a_100000210211_100000758301 [0,1,0,0,0,0|2,0,1]=4 1725 B8R0.6 CCCCSC(C)CC 62a_100000758301_100000210210 [0,1,0,0,0,0|2,0,1]=4 1726 B8R0.6 CCCCSC(C)OC 62a_100000210211_100009879195 [0,1,0,0,0,0|1,0,1]=3 1727 B8R0.6 CCCCSC(C)OC 62a_100009879195_100000210210 [0,1,0,0,0,0|1,0,1]=3 1728 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [0,1,0,0,0,0|1,0,0]=2 1729 B8R0.6 CCCNCC(C)CC 2230a_100020588543_100000210303 [0,1,0,0,0,0|2,0,1]=4 1730 B8R0.6 CCCNCC(C)CC 270004a_100020643023_100000243153 [0,1,0,0,0,0|2,0,1]=4 1731 B8R0.6 CCCNCC(O)CC 2230a_100011218483_100000210303 [0,1,0,0,0,0|1,0,2]=4 1732 B8R0.6 CCCNC[C@@H](C)OC 2230a_100020591295_100000210303 [0,1,0,0,0,0|1,0,1]=3 1733 B8R0.6 CCCNNC(=O)CC 22a_100000740057_100000210414 [0,1,0,0,0,0|2,0,0]=3 1734 B8R0.6 CCCNNC(=O)CO 22a_100000740057_100000210174 [0,1,0,0,0,0|3,0,0]=4 1735 B8R0.6 CCCNNC(=O)NC 273464a_100102657272_100000740057 [0,1,0,0,0,0|2,0,0]=3 1736 B8R0.6 CCCNNC(=O)NC 512a_100000740057_100102657272 [0,1,0,0,0,0|2,0,0]=3 1737 B8R0.6 CCCNNC(=O)NC 512a_106832991638_100000740057 [0,1,0,0,0,0|2,0,0]=3 1738 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [0,1,0,0,0,0|1,0,0]=2 1739 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [0,1,0,0,0,0|1,0,0]=2 1740 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [0,1,0,0,0,0|2,0,0]=3 1741 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [0,1,0,0,0,0|1,0,0]=2 1742 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [0,1,0,0,0,0|1,0,0]=2 1743 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [0,1,0,0,0,0|1,0,0]=2 1744 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [0,1,0,0,0,0|1,0,0]=2 1745 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [0,1,0,0,0,0|1,0,0]=2 1746 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [0,1,0,0,0,0|1,0,0]=2 1747 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [0,1,0,0,0,0|0,0,0]=1 1748 B8R0.6 CCCOCC(C)CC 34a_100000210258_100000748023 [0,1,0,0,0,0|2,0,1]=4 1749 B8R0.6 CCCOCC(C)OC 34a_100000690652_100000210303 [0,1,0,0,0,0|1,0,1]=3 1750 B8R0.6 CCCOCC(O)CC 34a_100000210258_100011218378 [0,1,0,0,0,0|1,0,2]=4 1751 B8R0.6 CCCOC[C@@H](C)CC 34a_100000210258_100009816398 [0,1,0,0,0,0|2,0,1]=4 1752 B8R0.6 CCCOC[C@@H](C)CC 7a_100009816381_100000210303 [0,1,0,0,0,0|2,0,1]=4 1753 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [0,1,0,0,0,0|1,0,0]=2 1754 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [0,1,0,0,0,0|1,0,0]=2 1755 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [0,1,0,0,0,0|1,0,0]=2 1756 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [0,1,0,0,0,0|2,0,0]=3 1757 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [0,1,0,0,0,0|1,0,0]=2 1758 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [0,1,0,0,0,0|1,0,0]=2 1759 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [0,1,0,0,0,0|1,0,0]=2 1760 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [0,1,0,0,0,0|1,0,0]=2 1761 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [0,1,0,0,0,0|1,0,0]=2 1762 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [0,1,0,0,0,0|1,0,0]=2 1763 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [0,1,0,0,0,0|0,0,0]=1 1764 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [0,1,0,0,0,0|0,0,0]=1 1765 B8R0.6 CCCSCC(C)CC 62a_100000210303_100000748023 [0,1,0,0,0,0|2,0,1]=4 1766 B8R0.6 CCCSCC(C)CC 62a_100000748023_100000210303 [0,1,0,0,0,0|2,0,1]=4 1767 B8R0.6 CCCSCC(C)NC 270004a_106832991635_100011343953 [0,1,0,0,0,0|2,0,1]=4 1768 B8R0.6 CCCSCC(O)CC 62a_100000210303_100011218378 [0,1,0,0,0,0|1,0,2]=4 1769 B8R0.6 CCCSCC(O)CC 62a_100011218378_100000210303 [0,1,0,0,0,0|1,0,2]=4 1770 B8R0.6 CCCSC[C@@H](C)CC 62a_100000210303_100009816398 [0,1,0,0,0,0|2,0,1]=4 1771 B8R0.6 CCCSC[C@@H](C)CC 62a_100009816398_100000210303 [0,1,0,0,0,0|2,0,1]=4 1772 B8R0.6 CCN(C)CCCCF 2230a_100000225621_100000729493 [0,1,0,0,0,0|3,0,0]=4 1773 B8R0.6 CCN(C)CCCCF 269982a_100000225621_100000729493 [0,1,0,0,0,0|3,0,0]=4 1774 B8R0.6 CCN(C)CCCCO 2230a_100000225621_100000210776 [0,1,0,0,0,0|3,0,0]=4 1775 B8R0.6 CCN(C)CCCCO 2230a_100000717598_100000210202 [0,1,0,0,0,0|3,0,0]=4 1776 B8R0.6 CCN(C)CCCCO 2230a_100011217355_200000210301 [0,1,0,0,0,0|3,0,0]=4 1777 B8R0.6 CCN(C)CCCCO 269982a_100000225621_100000210776 [0,1,0,0,0,0|3,0,0]=4 1778 B8R0.6 CCN(C)CCCCO 269982a_100000717598_100000204670 [0,1,0,0,0,0|3,0,0]=4 1779 B8R0.6 CCN(C)CCCCO 269982a_100011217355_200000210301 [0,1,0,0,0,0|3,0,0]=4 1780 B8R0.6 CCN(C)CCCNC 2230a_106832991635_100015186262 [0,1,0,0,0,0|3,0,0]=4 1781 B8R0.6 CCN(C)CCCNC 7a_106832991635_100015186262 [0,1,0,0,0,0|3,0,0]=4 1782 B8R0.6 CCN(C)CCCOC 2230a_100000224831_100000210202 [0,1,0,0,0,0|3,0,0]=4 1783 B8R0.6 CCN(C)CCCOC 2230a_100000225621_100000740836 [0,1,0,0,0,0|3,0,0]=4 1784 B8R0.6 CCN(C)CCCOC 269982a_100000224831_100000204670 [0,1,0,0,0,0|3,0,0]=4 1785 B8R0.6 CCN(C)CCCOC 269982a_100000225621_100000740836 [0,1,0,0,0,0|3,0,0]=4 1786 B8R0.6 CCN(C)CCCSC 62a_200000210301_100015186262 [0,1,0,0,0,0|3,0,0]=4 1787 B8R0.6 CCN(C)CCCS[13CH3] 62a_200025704644_100015186262 [0,1,0,0,0,0|3,0,0]=4 1788 B8R0.6 CCN([13CH3])CCCCO 2230a_100011217355_200025704644 [0,1,0,0,0,0|3,0,0]=4 1789 B8R0.6 CCN([13CH3])CCCCO 269982a_100011217355_200025704644 [0,1,0,0,0,0|3,0,0]=4 1790 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [0,1,0,0,0,0|1,0,0]=2 1791 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [0,1,0,0,0,0|1,0,0]=2 1792 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [0,1,0,0,0,0|1,0,0]=2 1793 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [0,1,0,0,0,0|0,0,0]=1 1794 B8R0.6 CCNCCC(C)CC 2230a_100020591266_100000210202 [0,1,0,0,0,0|2,0,1]=4 1795 B8R0.6 CCNN=CC(=O)OC 4a_100000756455_200011823558 [0,1,0,0,0,0|1,0,1]=3 1796 B8R0.6 CCOC=CC(=O)CC 1458a_100016266692_100000210202 [0,1,0,0,0,0|1,0,2]=4 1797 B8R0.6 CCOC=CC(=O)NC 11a_106832991635_100016266692 [0,1,0,0,0,0|1,0,2]=4 1798 B8R0.6 CCOC=CC(=O)NC 1626a_100102657272_100016266692 [0,1,0,0,0,0|1,0,2]=4 1799 B8R0.6 CCOC=CC(=O)NC 240690a_100102657272_100016266692 [0,1,0,0,0,0|1,0,2]=4 1800 B8R0.6 CCOCCC(=NO)N 34a_100000749954_100000210202 [0,1,0,0,0,0|3,0,0]=4 1801 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [0,1,0,0,0,0|1,0,0]=2 1802 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [0,1,0,0,0,0|1,0,0]=2 1803 B8R0.6 CCOCCC(=O)CF 1458a_100000749530_100015361967 [0,1,0,0,0,0|2,0,0]=3 1804 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [0,1,0,0,0,0|2,0,0]=3 1805 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [0,1,0,0,0,0|1,0,0]=2 1806 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [0,1,0,0,0,0|1,0,0]=2 1807 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [0,1,0,0,0,0|1,0,0]=2 1808 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [0,1,0,0,0,0|1,0,0]=2 1809 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [0,1,0,0,0,0|1,0,0]=2 1810 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [0,1,0,0,0,0|1,0,0]=2 1811 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [0,1,0,0,0,0|0,0,0]=1 1812 B8R0.6 CCOCCC(C)CC 7a_100011215188_100000210202 [0,1,0,0,0,0|2,0,1]=4 1813 B8R0.6 CCOCCC(C)NC 270004a_106832991635_200011216536 [0,1,0,0,0,0|2,0,1]=4 1814 B8R0.6 CCOCCC(C)OC 7a_100000764861_100000210202 [0,1,0,0,0,0|1,0,1]=3 1815 B8R0.6 CCOCCN(C)CC 2230a_100000225621_100011215890 [0,1,0,0,0,0|3,0,0]=4 1816 B8R0.6 CCOCCN(C)CC 269982a_100000225621_100011215890 [0,1,0,0,0,0|3,0,0]=4 1817 B8R0.6 CCOCSC(C)OC 62a_100000739092_100009879195 [0,1,0,0,0,0|2,0,1]=4 1818 B8R0.6 CCOCSC(C)OC 62a_100009879195_100000739092 [0,1,0,0,0,0|2,0,1]=4 1819 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [0,1,0,0,0,0|1,0,0]=2 1820 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [0,1,0,0,0,0|1,0,0]=2 1821 B8R0.6 CCSCCC(=O)CF 1458a_100000230768_100015361967 [0,1,0,0,0,0|2,0,0]=3 1822 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [0,1,0,0,0,0|2,0,0]=3 1823 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [0,1,0,0,0,0|1,0,0]=2 1824 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [0,1,0,0,0,0|1,0,0]=2 1825 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [0,1,0,0,0,0|1,0,0]=2 1826 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [0,1,0,0,0,0|1,0,0]=2 1827 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [0,1,0,0,0,0|1,0,0]=2 1828 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [0,1,0,0,0,0|1,0,0]=2 1829 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [0,1,0,0,0,0|0,0,0]=1 1830 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [0,1,0,0,0,0|0,0,0]=1 1831 B8R0.6 CCSCCN(C)CC 2230a_100000225621_100000757381 [0,1,0,0,0,0|3,0,0]=4 1832 B8R0.6 CCSCCN(C)CC 269982a_100000225621_100000757381 [0,1,0,0,0,0|3,0,0]=4 1833 B8R0.6 CCSCOC(=O)OC 62a_100000210202_100000139417 [0,1,0,0,0,0|1,0,0]=2 1834 B8R0.6 CNC(=O)C=CCOC 11a_106832991635_100016285016 [0,1,0,0,0,0|1,0,2]=4 1835 B8R0.6 CNC(=O)C=CCOC 1626a_100102657272_100016285016 [0,1,0,0,0,0|1,0,2]=4 1836 B8R0.6 CNC(=O)C=CCOC 240690a_100102657272_100016285016 [0,1,0,0,0,0|1,0,2]=4 1837 B8R0.6 CNC(=O)CCCC#N 11a_106832991635_100000075515 [0,1,0,0,0,0|1,0,1]=3 1838 B8R0.6 CNC(=O)CCCC#N 1626a_100102657272_100000075515 [0,1,0,0,0,0|1,0,1]=3 1839 B8R0.6 CNC(=O)CCCC#N 240690a_100102657272_100000075515 [0,1,0,0,0,0|1,0,1]=3 1840 B8R0.6 CNC(=O)CCCC#N 527a_100102657272_100000075515 [0,1,0,0,0,0|1,0,1]=3 1841 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [0,1,0,0,0,0|1,0,0]=2 1842 B8R0.6 CNC(=O)CCCN[13CH3] 2230a_100000740002_200025704644 [0,1,0,0,0,0|1,0,0]=2 1843 B8R0.6 CNC(=O)CCCN[13CH3] 34a_100000740002_200025704644 [0,1,0,0,0,0|1,0,0]=2 1844 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [0,1,0,0,0,0|1,0,0]=2 1845 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [0,1,0,0,0,0|1,0,0]=2 1846 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [0,1,0,0,0,0|1,0,0]=2 1847 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [0,1,0,0,0,0|1,0,0]=2 1848 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [0,1,0,0,0,0|1,0,0]=2 1849 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [0,1,0,0,0,0|1,0,0]=2 1850 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [0,1,0,0,0,0|1,0,0]=2 1851 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [0,1,0,0,0,0|1,0,0]=2 1852 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [0,1,0,0,0,0|1,0,0]=2 1853 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [0,1,0,0,0,0|1,0,0]=2 1854 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [0,1,0,0,0,0|1,0,0]=2 1855 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [0,1,0,0,0,0|1,0,0]=2 1856 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [0,1,0,0,0,0|1,0,0]=2 1857 B8R0.6 CNC(=O)CCN=[N+]=[N-] 11a_106832991635_100000688302 [0,1,0,0,0,0|3,0,0]=4 1858 B8R0.6 CNC(=O)CCN=[N+]=[N-] 240690a_100102657272_100000688302 [0,1,0,0,0,0|3,0,0]=4 1859 B8R0.6 CNC(=O)CCNCF 34a_100000738227_100015361967 [0,1,0,0,0,0|2,0,0]=3 1860 B8R0.6 CNC(=O)CCOCF 34a_100000754576_100015361967 [0,1,0,0,0,0|2,0,0]=3 1861 B8R0.6 CNC(=O)CCSCF 62a_100000737683_100015361967 [0,1,0,0,0,0|2,0,0]=3 1862 B8R0.6 CNC(=O)CCSCF 62a_100015361967_100000737683 [0,1,0,0,0,0|2,0,0]=3 1863 B8R0.6 CNC(=O)CNCC#N 2230a_100000693194_100011215382 [0,1,0,0,0,0|2,0,1]=4 1864 B8R0.6 CNC(=O)CNCC=O 2230a_100000693194_200015260668 [0,1,0,0,0,0|2,0,1]=4 1865 B8R0.6 CNC(=O)CNCCF 2230a_100000693194_100011217306 [0,1,0,0,0,0|2,0,0]=3 1866 B8R0.6 CNC(=O)CNCCF 34a_100000724931_100000183359 [0,1,0,0,0,0|2,0,0]=3 1867 B8R0.6 CNC(=O)CNCCO 2230a_100000693194_100000211926 [0,1,0,0,0,0|2,0,0]=3 1868 B8R0.6 CNC(=O)CNCCO 2230a_100016997473_100000183359 [0,1,0,0,0,0|2,0,0]=3 1869 B8R0.6 CNC(=O)CNCCO 34a_100016990907_100000183359 [0,1,0,0,0,0|2,0,0]=3 1870 B8R0.6 CNC(=O)CNCOC 2230a_100000693194_100000766300 [0,1,0,0,0,0|2,0,0]=3 1871 B8R0.6 CNC(=O)CNCSC 2230a_100000693194_100011218213 [0,1,0,0,0,0|2,0,0]=3 1872 B8R0.6 CNC(=O)COCC=O 34a_100000750040_200009817547 [0,1,0,0,0,0|2,0,1]=4 1873 B8R0.6 CNC(=O)COCCBr 34a_100000211926_100000183359 [0,1,0,0,0,0|2,0,0]=3 1874 B8R0.6 CNC(=O)COCCF 34a_100000750040_100011217306 [0,1,0,0,0,0|2,0,0]=3 1875 B8R0.6 CNC(=O)COCCN 34a_100000210304_100000183359 [0,1,0,0,0,0|2,0,0]=3 1876 B8R0.6 CNC(=O)COCCO 1626a_100102657272_100000708028 [0,1,0,0,0,0|2,0,0]=3 1877 B8R0.6 CNC(=O)COCCO 240690a_100102657272_100000708028 [0,1,0,0,0,0|2,0,0]=3 1878 B8R0.6 CNC(=O)COCCO 34a_100000750040_100000211926 [0,1,0,0,0,0|2,0,0]=3 1879 B8R0.6 CNC(=O)COCSC 34a_100000750040_100011218213 [0,1,0,0,0,0|2,0,0]=3 1880 B8R0.6 CNC(=O)CSCC#N 11a_106832991635_100000150266 [0,1,0,0,0,0|2,0,1]=4 1881 B8R0.6 CNC(=O)CSCC#N 1626a_100102657272_100000150266 [0,1,0,0,0,0|2,0,1]=4 1882 B8R0.6 CNC(=O)CSCC#N 240690a_100102657272_100000150266 [0,1,0,0,0,0|2,0,1]=4 1883 B8R0.6 CNC(=O)CSCC#N 62a_100000183359_100011215382 [0,1,0,0,0,0|2,0,1]=4 1884 B8R0.6 CNC(=O)CSCC#N 62a_100011215382_100000183359 [0,1,0,0,0,0|2,0,1]=4 1885 B8R0.6 CNC(=O)CSCC=O 62a_100000183359_200015260668 [0,1,0,0,0,0|2,0,1]=4 1886 B8R0.6 CNC(=O)CSCC=O 62a_200015260668_100000183359 [0,1,0,0,0,0|2,0,1]=4 1887 B8R0.6 CNC(=O)CSCCF 62a_100000183359_100011217306 [0,1,0,0,0,0|2,0,0]=3 1888 B8R0.6 CNC(=O)CSCCF 62a_100011217306_100000183359 [0,1,0,0,0,0|2,0,0]=3 1889 B8R0.6 CNC(=O)CSCCO 62a_100000183359_100000211926 [0,1,0,0,0,0|2,0,0]=3 1890 B8R0.6 CNC(=O)CSCCO 62a_100000211926_100000183359 [0,1,0,0,0,0|2,0,0]=3 1891 B8R0.6 CNC(=O)CSCOC 62a_100000183359_100000766300 [0,1,0,0,0,0|2,0,0]=3 1892 B8R0.6 CNC(=O)CSCOC 62a_100000766300_100000183359 [0,1,0,0,0,0|2,0,0]=3 1893 B8R0.6 CNC(=O)CSCSC 62a_100000183359_100011218213 [0,1,0,0,0,0|2,0,0]=3 1894 B8R0.6 CNC(=O)CSCSC 62a_100011218213_100000183359 [0,1,0,0,0,0|2,0,0]=3 1895 B8R0.6 CNC(=O)NCCC#N 2708a_100000720768_106832991635 [0,1,0,0,0,0|2,0,1]=4 1896 B8R0.6 CNC(=O)NCCC#N 2708a_100102657272_100000720768 [0,1,0,0,0,0|2,0,1]=4 1897 B8R0.6 CNC(=O)NCCC#N 273464a_100000720768_100102657272 [0,1,0,0,0,0|2,0,1]=4 1898 B8R0.6 CNC(=O)NCCC#N 273464a_100102657272_100000720768 [0,1,0,0,0,0|2,0,1]=4 1899 B8R0.6 CNC(=O)NCCC#N 512a_100000720768_100102657272 [0,1,0,0,0,0|2,0,1]=4 1900 B8R0.6 CNC(=O)NCCC#N 512a_106832991638_100000720768 [0,1,0,0,0,0|2,0,1]=4 1901 B8R0.6 CNC(=O)NCCCF 2708a_100015189416_106832991635 [0,1,0,0,0,0|2,0,0]=3 1902 B8R0.6 CNC(=O)NCCCF 2708a_100102657272_100015189416 [0,1,0,0,0,0|2,0,0]=3 1903 B8R0.6 CNC(=O)NCCCF 273464a_100015189416_100102657272 [0,1,0,0,0,0|2,0,0]=3 1904 B8R0.6 CNC(=O)NCCCF 273464a_100102657272_100015189416 [0,1,0,0,0,0|2,0,0]=3 1905 B8R0.6 CNC(=O)NCCCF 512a_100015189416_100102657272 [0,1,0,0,0,0|2,0,0]=3 1906 B8R0.6 CNC(=O)NCCCF 512a_106832991638_100015189416 [0,1,0,0,0,0|2,0,0]=3 1907 B8R0.6 CNC(=O)NCCCO 2708a_100102657272_100000182051 [0,1,0,0,0,0|2,0,0]=3 1908 B8R0.6 CNC(=O)NCCCO 273464a_100000182051_100102657272 [0,1,0,0,0,0|2,0,0]=3 1909 B8R0.6 CNC(=O)NCCCO 273464a_100102657272_100000182051 [0,1,0,0,0,0|2,0,0]=3 1910 B8R0.6 CNC(=O)NCCCO 512a_106832991638_100000182051 [0,1,0,0,0,0|2,0,0]=3 1911 B8R0.6 CNC(=O)NCCN[13CH3] 34a_100015205895_200025704644 [0,1,0,0,0,0|2,0,0]=3 1912 B8R0.6 CNC(=O)NCCOC 2708a_100102657272_100000209980 [0,1,0,0,0,0|2,0,0]=3 1913 B8R0.6 CNC(=O)NCCOC 273464a_100000209980_100102657272 [0,1,0,0,0,0|2,0,0]=3 1914 B8R0.6 CNC(=O)NCCOC 273464a_100102657272_100000209980 [0,1,0,0,0,0|2,0,0]=3 1915 B8R0.6 CNC(=O)NCCSC 2708a_100020590264_106832991635 [0,1,0,0,0,0|2,0,0]=3 1916 B8R0.6 CNC(=O)NCCSC 2708a_100102657272_100020590264 [0,1,0,0,0,0|2,0,0]=3 1917 B8R0.6 CNC(=O)NCCSC 273464a_100020590264_100102657272 [0,1,0,0,0,0|2,0,0]=3 1918 B8R0.6 CNC(=O)NCCSC 273464a_100102657272_100020590264 [0,1,0,0,0,0|2,0,0]=3 1919 B8R0.6 CNC(=O)NCCSC 512a_100020590264_100102657272 [0,1,0,0,0,0|2,0,0]=3 1920 B8R0.6 CNC(=O)NCCSC 512a_106832991638_100020590264 [0,1,0,0,0,0|2,0,0]=3 1921 B8R0.6 CNC(=O)NNCCO 273464a_100102657272_100000210001 [0,1,0,0,0,0|3,0,0]=4 1922 B8R0.6 CNC(=O)NNCCO 512a_106832991638_100000210001 [0,1,0,0,0,0|3,0,0]=4 1923 B8R0.6 CNC(=O)OCCOC 34a_100138415774_200011997002 [0,1,0,0,0,0|2,0,0]=3 1924 B8R0.6 CNC(=O)OCCSC 62a_200000210301_200011997002 [0,1,0,0,0,0|2,0,0]=3 1925 B8R0.6 CNC(=O)OCCSC 62a_200011997002_200000210301 [0,1,0,0,0,0|2,0,0]=3 1926 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200011997002_200025704644 [0,1,0,0,0,0|2,0,0]=3 1927 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200025704644_200011997002 [0,1,0,0,0,0|2,0,0]=3 1928 B8R0.6 CNC(C)CCCSC 270004a_106832991635_100011399439 [0,1,0,0,0,0|2,0,1]=4 1929 B8R0.6 CNC/C=C/C(=O)OC 2230a_106832991635_100000742655 [0,1,0,0,0,0|0,0,2]=3 1930 B8R0.6 CNC/C=C/C(=O)OC 34a_100102657272_100000742655 [0,1,0,0,0,0|0,0,2]=3 1931 B8R0.6 CNC/C=C/C(=O)OC 7a_106832991635_100000742655 [0,1,0,0,0,0|0,0,2]=3 1932 B8R0.6 CNCCCC(=O)NC 2230a_100000740002_200000210301 [0,1,0,0,0,0|1,0,0]=2 1933 B8R0.6 CNCCCC(=O)NC 2230a_106832991635_100000741757 [0,1,0,0,0,0|1,0,0]=2 1934 B8R0.6 CNCCCC(=O)NC 34a_100000740002_200000210301 [0,1,0,0,0,0|1,0,0]=2 1935 B8R0.6 CNCCCC(=O)NC 34a_100102657272_100000741757 [0,1,0,0,0,0|1,0,0]=2 1936 B8R0.6 CNCCCC(=O)NC 7a_106832991635_100000741757 [0,1,0,0,0,0|1,0,0]=2 1937 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [0,1,0,0,0,0|0,0,0]=1 1938 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [0,1,0,0,0,0|0,0,0]=1 1939 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [0,1,0,0,0,0|0,0,0]=1 1940 B8R0.6 CNCCNC(=O)NC 34a_100015205895_200000210301 [0,1,0,0,0,0|2,0,0]=3 1941 B8R0.6 CNCCOC(=O)NC 34a_100102657272_200011997002 [0,1,0,0,0,0|2,0,0]=3 1942 B8R0.6 CNCCOC(=O)NC 7a_106832991635_200011997002 [0,1,0,0,0,0|2,0,0]=3 1943 B8R0.6 COC(=O)/C=C/CSC 62a_100000742655_200000210301 [0,1,0,0,0,0|0,0,2]=3 1944 B8R0.6 COC(=O)/C=C/CSC 62a_200000210301_100000742655 [0,1,0,0,0,0|0,0,2]=3 1945 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_100000742655_200025704644 [0,1,0,0,0,0|0,0,2]=3 1946 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_200025704644_100000742655 [0,1,0,0,0,0|0,0,2]=3 1947 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [0,1,0,0,0,0|0,0,0]=1 1948 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [0,1,0,0,0,0|0,0,0]=1 1949 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [0,1,0,0,0,0|0,0,0]=1 1950 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [0,1,0,0,0,0|0,0,0]=1 1951 B8R0.6 COC(=O)CCSCF 62a_100000204255_100015361967 [0,1,0,0,0,0|1,0,0]=2 1952 B8R0.6 COC(=O)CCSCF 62a_100015361967_100000204255 [0,1,0,0,0,0|1,0,0]=2 1953 B8R0.6 COC(=O)CNCCF 34a_100000724931_100000747449 [0,1,0,0,0,0|1,0,0]=2 1954 B8R0.6 COC(=O)CNCCO 2230a_100016997473_100000747449 [0,1,0,0,0,0|1,0,0]=2 1955 B8R0.6 COC(=O)CNCCO 34a_100016990907_100000747449 [0,1,0,0,0,0|1,0,0]=2 1956 B8R0.6 COC(=O)COCCBr 34a_100000211926_100000747449 [0,1,0,0,0,0|1,0,0]=2 1957 B8R0.6 COC(=O)COCCN 34a_100000210304_100000747449 [0,1,0,0,0,0|1,0,0]=2 1958 B8R0.6 COC(=O)CSCC#N 62a_100000747449_100011215382 [0,1,0,0,0,0|1,0,1]=3 1959 B8R0.6 COC(=O)CSCC#N 62a_100011215382_100000747449 [0,1,0,0,0,0|1,0,1]=3 1960 B8R0.6 COC(=O)CSCC=O 62a_100000747449_200015260668 [0,1,0,0,0,0|1,0,1]=3 1961 B8R0.6 COC(=O)CSCC=O 62a_200015260668_100000747449 [0,1,0,0,0,0|1,0,1]=3 1962 B8R0.6 COC(=O)CSCCF 62a_100000747449_100011217306 [0,1,0,0,0,0|1,0,0]=2 1963 B8R0.6 COC(=O)CSCCF 62a_100011217306_100000747449 [0,1,0,0,0,0|1,0,0]=2 1964 B8R0.6 COC(=O)CSCCO 62a_100000211926_100000747449 [0,1,0,0,0,0|1,0,0]=2 1965 B8R0.6 COC(=O)CSCCO 62a_100000747449_100000211926 [0,1,0,0,0,0|1,0,0]=2 1966 B8R0.6 COC(=O)CSCSC 62a_100000747449_100011218213 [0,1,0,0,0,0|1,0,0]=2 1967 B8R0.6 COC(=O)CSCSC 62a_100011218213_100000747449 [0,1,0,0,0,0|1,0,0]=2 1968 B8R0.6 COC(=O)NCCO[13CH3] 34a_100000757965_200025704644 [0,1,0,0,0,0|1,0,0]=2 1969 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [0,1,0,0,0,0|1,0,0]=2 1970 B8R0.6 COC(=O)OCSCF 62a_100015361967_100000139417 [0,1,0,0,0,0|2,0,0]=3 1971 B8R0.6 COC(C)CCOCF 7a_100000764861_100015361967 [0,1,0,0,0,0|2,0,1]=4 1972 B8R0.6 COC(C)COCCF 34a_100000690652_100011217306 [0,1,0,0,0,0|2,0,1]=4 1973 B8R0.6 COC(C)COCCO 34a_100000690652_100000211926 [0,1,0,0,0,0|2,0,1]=4 1974 B8R0.6 COC(C)COCSC 34a_100000690652_100011218213 [0,1,0,0,0,0|2,0,1]=4 1975 B8R0.6 COC(C)SCCCF 62a_100009879195_100011934791 [0,1,0,0,0,0|2,0,1]=4 1976 B8R0.6 COC(C)SCCCF 62a_100011934791_100009879195 [0,1,0,0,0,0|2,0,1]=4 1977 B8R0.6 COC(C)SCCCO 62a_100009879195_100011215043 [0,1,0,0,0,0|2,0,1]=4 1978 B8R0.6 COC(C)SCCCO 62a_100011215043_100009879195 [0,1,0,0,0,0|2,0,1]=4 1979 B8R0.6 COC(C)SCCSC 62a_100000212216_100009879195 [0,1,0,0,0,0|2,0,1]=4 1980 B8R0.6 COC(C)SCCSC 62a_100009879195_100000751147 [0,1,0,0,0,0|2,0,1]=4 1981 B8R0.6 COC/C=C/C(=O)OC 34a_100138415774_100000742655 [0,1,0,0,0,0|0,0,2]=3 1982 B8R0.6 COCCCC(=O)CF 1458a_100000741012_100015361967 [0,1,0,0,0,0|2,0,0]=3 1983 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [0,1,0,0,0,0|2,0,0]=3 1984 B8R0.6 COCCCC(=O)NN 34a_100000211488_200000210301 [0,1,0,0,0,0|2,0,0]=3 1985 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [0,1,0,0,0,0|0,0,0]=1 1986 B8R0.6 COCCCC(C)OC 34a_200011539412_200000210301 [0,1,0,0,0,0|1,0,1]=3 1987 B8R0.6 COCCCC(C)OC 7a_200011539412_200000210301 [0,1,0,0,0,0|1,0,1]=3 1988 B8R0.6 COCCCC(C)O[13CH3] 34a_200011539412_200025704644 [0,1,0,0,0,0|1,0,1]=3 1989 B8R0.6 COCCCC(C)O[13CH3] 7a_200011539412_200025704644 [0,1,0,0,0,0|1,0,1]=3 1990 B8R0.6 COCCNC(=O)CO 240690a_100000209980_100000210174 [0,1,0,0,0,0|3,0,0]=4 1991 B8R0.6 COCCNC(=O)CO 527a_100000209980_100000210174 [0,1,0,0,0,0|3,0,0]=4 1992 B8R0.6 COCCNC(=O)OC 34a_100000757965_200000210301 [0,1,0,0,0,0|1,0,0]=2 1993 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [0,1,0,0,0,0|1,0,0]=2 1994 B8R0.6 COCCSC(C)OC 62a_100000233755_100009879195 [0,1,0,0,0,0|2,0,1]=4 1995 B8R0.6 COCCSC(C)OC 62a_100009879195_100000233755 [0,1,0,0,0,0|2,0,1]=4 1996 B8R0.6 COCNC[C@@H](C)OC 2230a_100020591295_100000766300 [0,1,0,0,0,0|2,0,1]=4 1997 B8R0.6 COCSCC(=O)OC 62a_100000747449_100000766300 [0,1,0,0,0,0|1,0,0]=2 1998 B8R0.6 COCSCC(=O)OC 62a_100000766300_100000747449 [0,1,0,0,0,0|1,0,0]=2 1999 B8R0.6 CO[C@H](C)CNCCF 2230a_100020591295_100011217306 [0,1,0,0,0,0|2,0,1]=4 2000 B8R0.6 CO[C@H](C)CNCCO 2230a_100020591295_100000211926 [0,1,0,0,0,0|2,0,1]=4 2001 B8R0.6 CO[C@H](C)CNCSC 2230a_100020591295_100011218213 [0,1,0,0,0,0|2,0,1]=4 2002 B8R0.6 CSCCCC(=O)CF 1458a_100000173376_100015361967 [0,1,0,0,0,0|2,0,0]=3 2003 B8R0.6 CSCCNC(=O)CO 240690a_100020590264_100000210174 [0,1,0,0,0,0|3,0,0]=4 2004 B8R0.6 CSCCNC(=O)CO 527a_100020590264_100000210174 [0,1,0,0,0,0|3,0,0]=4 2005 B8R0.6 N#CCCCC(=O)CF 1458a_100000075515_100015361967 [0,1,0,0,0,0|2,0,1]=4 2006 B8R0.6 N#CCCCC(=O)CO 1458a_100000210174_100000211468 [0,1,0,0,0,0|2,0,1]=4 2007 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [0,1,0,0,0,0|2,0,0]=3 2008 B8R0.6 O=C(CF)COCCO 1458a_100000708028_100015361967 [0,1,0,0,0,0|3,0,0]=4 2009 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [0,1,0,0,0,0|2,0,0]=3 2010 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [0,1,0,0,0,0|2,0,0]=3 2011 B8R0.6 O=C(CO)NCCCF 240690a_100015189416_100000210174 [0,1,0,0,0,0|3,0,0]=4 2012 B8R0.6 O=C(CO)NCCCF 527a_100015189416_100000210174 [0,1,0,0,0,0|3,0,0]=4 2013 B8R0.6 O=C(CO)NCCCO 240690a_100000182051_100000210174 [0,1,0,0,0,0|3,0,0]=4 2014 B8R0.6 O=C(CO)NCCCO 527a_100000182051_100000210174 [0,1,0,0,0,0|3,0,0]=4 2015 B8R0.6 [13CH3]OCCCC(=O)NN 34a_100000211488_200025704644 [0,1,0,0,0,0|2,0,0]=3 2016 B8R0.8 C#CCCC(=O)C(=C)C 1458a_100000185857_100000753159 [0,1,0,0,0,0|1,0,2]=4 2017 B8R0.8 C#CCCC(=O)C(C)C 1458a_100000210198_100000753159 [0,1,0,0,0,0|1,0,2]=4 2018 B8R0.8 C#CCCC(=O)C(C)C 1458a_100000692101_100000210206 [0,1,0,0,0,0|1,0,2]=4 2019 B8R0.8 C#CCCC(=O)C(C)F 1458a_100000062450_100000753159 [0,1,0,0,0,0|1,0,2]=4 2020 B8R0.8 C#CCCC(=O)N(C)C 11a_100102631434_100000692101 [0,1,0,0,0,0|1,0,2]=4 2021 B8R0.8 C#CCCC(=O)N(C)C 1626a_100102631434_100000692101 [0,1,0,0,0,0|1,0,2]=4 2022 B8R0.8 C#CCCC(=O)N(C)C 240690a_100102631434_100000692101 [0,1,0,0,0,0|1,0,2]=4 2023 B8R0.8 C#CCCC(=O)N(C)C 527a_100102631434_100000692101 [0,1,0,0,0,0|1,0,2]=4 2024 B8R0.8 C#CCCC(=O)[C@@H](C)O 1458a_100000717761_100000753159 [0,1,0,0,0,0|1,0,2]=4 2025 B8R0.8 C#CCCC(=O)[C@H](C)O 1458a_217856618621_100000753159 [0,1,0,0,0,0|1,0,2]=4 2026 B8R0.8 C/C=C/CC(=O)C(C)C 1458a_100000210198_100102629194 [0,1,0,0,0,0|1,0,2]=4 2027 B8R0.8 C/C=C/CC(=O)C(C)F 1458a_100000062450_100102629194 [0,1,0,0,0,0|1,0,2]=4 2028 B8R0.8 C/C=C/CC(=O)[C@@H](C)O 1458a_100000717761_100102629194 [0,1,0,0,0,0|1,0,2]=4 2029 B8R0.8 C/C=C/CC(=O)[C@H](C)O 1458a_217856618621_100102629194 [0,1,0,0,0,0|1,0,2]=4 2030 B8R0.8 C=C(Br)C(=O)NCCC 11a_100020643023_100009813364 [0,1,0,0,0,0|2,0,1]=4 2031 B8R0.8 C=C(Br)C(=O)NCCC 1626a_100020643023_100009813364 [0,1,0,0,0,0|2,0,1]=4 2032 B8R0.8 C=C(C)C(=O)C/C=C/C 1458a_100000185857_100102629194 [0,1,0,0,0,0|1,0,2]=4 2033 B8R0.8 C=C(C)C(=O)CC#CC 1458a_100000185857_100000748600 [0,1,0,0,0,0|1,0,2]=4 2034 B8R0.8 C=C(C)C(=O)CC=CC 1458a_100000185857_100000070051 [0,1,0,0,0,0|1,0,2]=4 2035 B8R0.8 C=C(C)C(=O)CCC#N 1458a_100000185857_100011215226 [0,1,0,0,0,0|2,0,1]=4 2036 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [0,1,0,0,0,0|1,0,0]=2 2037 B8R0.8 C=C(C)C(=O)CCCF 1458a_100000185857_100011934791 [0,1,0,0,0,0|2,0,0]=3 2038 B8R0.8 C=C(C)C(=O)CCCO 1458a_100000185857_100011215043 [0,1,0,0,0,0|2,0,0]=3 2039 B8R0.8 C=C(C)C(=O)CCOC 1458a_100000185857_100000233755 [0,1,0,0,0,0|2,0,0]=3 2040 B8R0.8 C=C(C)C(=O)CCSC 1458a_100000185857_100000751147 [0,1,0,0,0,0|2,0,0]=3 2041 B8R0.8 C=C(C)C(=O)NCCC 11a_100020643023_100000185857 [0,1,0,0,0,0|2,0,0]=3 2042 B8R0.8 C=C(C)C(=O)NCCC 1626a_100020643023_100000185857 [0,1,0,0,0,0|2,0,0]=3 2043 B8R0.8 C=C(C)C(=O)NCCF 11a_100000724931_100000185857 [0,1,0,0,0,0|3,0,0]=4 2044 B8R0.8 C=C(C)C(=O)NCCF 1626a_100000724931_100000185857 [0,1,0,0,0,0|3,0,0]=4 2045 B8R0.8 C=C(C)C(=O)NNCC 22a_100000756455_100000185857 [0,1,0,0,0,0|3,0,0]=4 2046 B8R0.8 C=C(Cl)C(=O)NCCC 11a_100020643023_100000039160 [0,1,0,0,0,0|2,0,1]=4 2047 B8R0.8 C=C(Cl)C(=O)NCCC 1626a_100020643023_100000039160 [0,1,0,0,0,0|2,0,1]=4 2048 B8R0.8 C=C(F)C(=O)NCCC 11a_100020643023_100000036797 [0,1,0,0,0,0|2,0,1]=4 2049 B8R0.8 C=C(F)C(=O)NCCC 1626a_100020643023_100000036797 [0,1,0,0,0,0|2,0,1]=4 2050 B8R0.8 C=CCCC(=O)C(=C)C 1458a_100000185857_100000754431 [0,1,0,0,0,0|1,0,2]=4 2051 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000210198_100000754431 [0,1,0,0,0,0|1,0,2]=4 2052 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000749702_100000210206 [0,1,0,0,0,0|1,0,2]=4 2053 B8R0.8 C=CCCC(=O)C(C)F 1458a_100000062450_100000754431 [0,1,0,0,0,0|1,0,2]=4 2054 B8R0.8 C=CCCC(=O)N(C)C 11a_100102631434_100000749702 [0,1,0,0,0,0|1,0,2]=4 2055 B8R0.8 C=CCCC(=O)N(C)C 1626a_100102631434_100000749702 [0,1,0,0,0,0|1,0,2]=4 2056 B8R0.8 C=CCCC(=O)N(C)C 240690a_100102631434_100000749702 [0,1,0,0,0,0|1,0,2]=4 2057 B8R0.8 C=CCCC(=O)N(C)C 527a_100102631434_100000749702 [0,1,0,0,0,0|1,0,2]=4 2058 B8R0.8 C=CCCC(=O)[C@@H](C)O 1458a_100000717761_100000754431 [0,1,0,0,0,0|1,0,2]=4 2059 B8R0.8 C=CCCC(=O)[C@H](C)O 1458a_217856618621_100000754431 [0,1,0,0,0,0|1,0,2]=4 2060 B8R0.8 CC#CCC(=O)C(C)C 1458a_100000210198_100000748600 [0,1,0,0,0,0|1,0,2]=4 2061 B8R0.8 CC#CCC(=O)C(C)F 1458a_100000062450_100000748600 [0,1,0,0,0,0|1,0,2]=4 2062 B8R0.8 CC#CCC(=O)[C@@H](C)O 1458a_100000717761_100000748600 [0,1,0,0,0,0|1,0,2]=4 2063 B8R0.8 CC#CCC(=O)[C@H](C)O 1458a_217856618621_100000748600 [0,1,0,0,0,0|1,0,2]=4 2064 B8R0.8 CC(=O)C(=O)CSCF 62a_100011261029_100015361967 [0,1,0,0,0,0|3,0,0]=4 2065 B8R0.8 CC(=O)C(=O)CSCF 62a_100015361967_100011261029 [0,1,0,0,0,0|3,0,0]=4 2066 B8R0.8 CC(C)C(=O)CCC#N 1458a_100000210198_100011215226 [0,1,0,0,0,0|2,0,1]=4 2067 B8R0.8 CC(C)C(=O)CCC#N 1458a_100011934036_100000210206 [0,1,0,0,0,0|2,0,1]=4 2068 B8R0.8 CC(C)C(=O)CCCF 1458a_100000210198_100011934791 [0,1,0,0,0,0|2,0,0]=3 2069 B8R0.8 CC(C)C(=O)CCCO 1458a_100000210198_100011215043 [0,1,0,0,0,0|2,0,0]=3 2070 B8R0.8 CC(C)C(=O)CSCF 62a_100000753385_100015361967 [0,1,0,0,0,0|3,0,0]=4 2071 B8R0.8 CC(C)C(=O)CSCF 62a_100015361967_100000753385 [0,1,0,0,0,0|3,0,0]=4 2072 B8R0.8 CC(C)C(=O)NCCF 11a_100000724931_100000210198 [0,1,0,0,0,0|3,0,0]=4 2073 B8R0.8 CC(C)C(=O)NCCF 1626a_100000724931_100000210198 [0,1,0,0,0,0|3,0,0]=4 2074 B8R0.8 CC(C)C(=O)NCCF 240690a_100000724931_100000210198 [0,1,0,0,0,0|3,0,0]=4 2075 B8R0.8 CC(C)C(=O)NCCF 527a_100000724931_100000210198 [0,1,0,0,0,0|3,0,0]=4 2076 B8R0.8 CC(C)C(=O)NCCO 240690a_100000210304_100000210198 [0,1,0,0,0,0|3,0,0]=4 2077 B8R0.8 CC(C)C(=O)NCCO 527a_100000210304_100000210198 [0,1,0,0,0,0|3,0,0]=4 2078 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_100000139345_200025704644 [0,1,0,0,0,0|3,0,0]=4 2079 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_200025704644_100000139345 [0,1,0,0,0,0|3,0,0]=4 2080 B8R0.8 CC(F)C(=O)CCC#N 1458a_100000062450_100011215226 [0,1,0,0,0,0|2,0,1]=4 2081 B8R0.8 CC(F)C(=O)CCCF 1458a_100000062450_100011934791 [0,1,0,0,0,0|2,0,0]=3 2082 B8R0.8 CC(F)C(=O)CCCO 1458a_100000062450_100011215043 [0,1,0,0,0,0|2,0,0]=3 2083 B8R0.8 CC(F)C(=O)NCCF 11a_100000724931_100000062450 [0,1,0,0,0,0|3,0,0]=4 2084 B8R0.8 CC(F)C(=O)NCCF 1626a_100000724931_100000062450 [0,1,0,0,0,0|3,0,0]=4 2085 B8R0.8 CC(F)C(=O)NCCF 240690a_100000724931_100000062450 [0,1,0,0,0,0|3,0,0]=4 2086 B8R0.8 CC(F)C(=O)NCCF 527a_100000724931_100000062450 [0,1,0,0,0,0|3,0,0]=4 2087 B8R0.8 CC(F)C(=O)NCCO 240690a_100000210304_100000062450 [0,1,0,0,0,0|3,0,0]=4 2088 B8R0.8 CC(F)C(=O)NCCO 527a_100000210304_100000062450 [0,1,0,0,0,0|3,0,0]=4 2089 B8R0.8 CC=CCC(=O)C(C)C 1458a_100000210198_100000070051 [0,1,0,0,0,0|1,0,2]=4 2090 B8R0.8 CC=CCC(=O)C(C)C 1458a_100121576822_100000210206 [0,1,0,0,0,0|1,0,2]=4 2091 B8R0.8 CC=CCC(=O)C(C)F 1458a_100000062450_100000070051 [0,1,0,0,0,0|1,0,2]=4 2092 B8R0.8 CC=CCC(=O)N(C)C 11a_100102631434_100121576822 [0,1,0,0,0,0|1,0,2]=4 2093 B8R0.8 CC=CCC(=O)N(C)C 1626a_100102631434_100121576822 [0,1,0,0,0,0|1,0,2]=4 2094 B8R0.8 CC=CCC(=O)N(C)C 240690a_100102631434_100121576822 [0,1,0,0,0,0|1,0,2]=4 2095 B8R0.8 CC=CCC(=O)N(C)C 527a_100102631434_100121576822 [0,1,0,0,0,0|1,0,2]=4 2096 B8R0.8 CC=CCC(=O)[C@@H](C)O 1458a_100000717761_100000070051 [0,1,0,0,0,0|1,0,2]=4 2097 B8R0.8 CC=CCC(=O)[C@H](C)O 1458a_217856618621_100000070051 [0,1,0,0,0,0|1,0,2]=4 2098 B8R0.8 CCC#CC(=O)C(C)C 1458a_100011827653_100000210206 [0,1,0,0,0,0|1,0,2]=4 2099 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [0,1,0,0,0,0|2,0,1]=4 2100 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [0,1,0,0,0,0|2,0,1]=4 2101 B8R0.8 CCC=CC(=O)C(C)C 1458a_100000212282_100000210206 [0,1,0,0,0,0|1,0,2]=4 2102 B8R0.8 CCC=CC(=O)N(C)C 11a_100102631434_100000212282 [0,1,0,0,0,0|1,0,2]=4 2103 B8R0.8 CCC=CC(=O)N(C)C 1626a_100102631434_100000212282 [0,1,0,0,0,0|1,0,2]=4 2104 B8R0.8 CCC=CC(=O)N(C)C 240690a_100102631434_100000212282 [0,1,0,0,0,0|1,0,2]=4 2105 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210183_100000210206 [0,1,0,0,0,0|1,0,0]=2 2106 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210198_100000210211 [0,1,0,0,0,0|1,0,0]=2 2107 B8R0.8 CCCCC(=O)C(C)F 1458a_100000062450_100000210211 [0,1,0,0,0,0|1,0,0]=2 2108 B8R0.8 CCCCC(=O)C(O)O 1458a_100000233687_100000210211 [0,1,0,0,0,0|2,0,0]=3 2109 B8R0.8 CCCCC(=O)N(C)C 11a_100102631434_100000210183 [0,1,0,0,0,0|1,0,0]=2 2110 B8R0.8 CCCCC(=O)N(C)C 1626a_100102631434_100000210183 [0,1,0,0,0,0|1,0,0]=2 2111 B8R0.8 CCCCC(=O)N(C)C 240690a_100102631434_100000210183 [0,1,0,0,0,0|1,0,0]=2 2112 B8R0.8 CCCCC(=O)N(C)C 527a_100102631434_100000210183 [0,1,0,0,0,0|1,0,0]=2 2113 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [0,1,0,0,0,0|1,0,0]=2 2114 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [0,1,0,0,0,0|1,0,0]=2 2115 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [0,1,0,0,0,0|2,0,1]=4 2116 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [0,1,0,0,0,0|2,0,1]=4 2117 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [0,1,0,0,0,0|2,0,1]=4 2118 B8R0.8 CCCCC(C)N(C)C 2230a_100102631434_200011215066 [0,1,0,0,0,0|2,0,1]=4 2119 B8R0.8 CCCCC(C)N(C)C 269982a_100102631434_200011215066 [0,1,0,0,0,0|2,0,1]=4 2120 B8R0.8 CCCCC(C)N(C)C 270004a_100102631434_100000210087 [0,1,0,0,0,0|2,0,1]=4 2121 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [0,1,0,0,0,0|1,0,2]=4 2122 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [0,1,0,0,0,0|1,0,2]=4 2123 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [0,1,0,0,0,0|3,0,0]=4 2124 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [0,1,0,0,0,0|3,0,0]=4 2125 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [0,1,0,0,0,0|3,0,0]=4 2126 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [0,1,0,0,0,0|3,0,0]=4 2127 B8R0.8 CCCCN(C)C(C)C 2230a_100000207398_200000210301 [0,1,0,0,0,0|3,0,0]=4 2128 B8R0.8 CCCCN(C)C(C)C 2230a_100000207549_100000210206 [0,1,0,0,0,0|3,0,0]=4 2129 B8R0.8 CCCCN(C)C(C)C 269982a_100000207398_200000210301 [0,1,0,0,0,0|3,0,0]=4 2130 B8R0.8 CCCCN(C)C(C)C 269982a_100000207549_100000210206 [0,1,0,0,0,0|3,0,0]=4 2131 B8R0.8 CCCCN(C)C(C)C 269982a_200000211004_100000210211 [0,1,0,0,0,0|3,0,0]=4 2132 B8R0.8 CCCCN([13CH3])C(C)C 2230a_100000207398_200025704644 [0,1,0,0,0,0|3,0,0]=4 2133 B8R0.8 CCCCN([13CH3])C(C)C 269982a_100000207398_200025704644 [0,1,0,0,0,0|3,0,0]=4 2134 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [0,1,0,0,0,0|2,0,0]=3 2135 B8R0.8 CCCNC(=O)C(=O)N 240690a_100020643023_100011215815 [0,1,0,0,0,0|3,0,0]=4 2136 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [0,1,0,0,0,0|2,0,0]=3 2137 B8R0.8 CCCNC(=O)C(C)C 11a_100020643023_100000210198 [0,1,0,0,0,0|2,0,0]=3 2138 B8R0.8 CCCNC(=O)C(C)C 1626a_100020643023_100000210198 [0,1,0,0,0,0|2,0,0]=3 2139 B8R0.8 CCCNC(=O)C(C)C 240690a_100020643023_100000210198 [0,1,0,0,0,0|2,0,0]=3 2140 B8R0.8 CCCNC(=O)C(C)C 527a_100020643023_100000210198 [0,1,0,0,0,0|2,0,0]=3 2141 B8R0.8 CCCNC(=O)C(C)F 11a_100020643023_100000062450 [0,1,0,0,0,0|2,0,0]=3 2142 B8R0.8 CCCNC(=O)C(C)F 1626a_100020643023_100000062450 [0,1,0,0,0,0|2,0,0]=3 2143 B8R0.8 CCCNC(=O)C(C)F 240690a_100020643023_100000062450 [0,1,0,0,0,0|2,0,0]=3 2144 B8R0.8 CCCNC(=O)C(C)F 527a_100020643023_100000062450 [0,1,0,0,0,0|2,0,0]=3 2145 B8R0.8 CCCNC(=O)C(F)F 11a_100020643023_100000210393 [0,1,0,0,0,0|3,0,0]=4 2146 B8R0.8 CCCNC(=O)C(F)F 1626a_100020643023_100000210393 [0,1,0,0,0,0|3,0,0]=4 2147 B8R0.8 CCCNC(=O)C(F)F 240690a_100020643023_100000210393 [0,1,0,0,0,0|3,0,0]=4 2148 B8R0.8 CCCNC(=O)C(F)F 527a_100020643023_100000210393 [0,1,0,0,0,0|3,0,0]=4 2149 B8R0.8 CCCNC(=O)C(O)O 240690a_100020643023_100000233687 [0,1,0,0,0,0|3,0,0]=4 2150 B8R0.8 CCCNC(=O)N(C)C 2708a_100020643023_100102631434 [0,1,0,0,0,0|2,0,0]=3 2151 B8R0.8 CCCNC(=O)[C@@H](C)O 240690a_100020643023_100000717761 [0,1,0,0,0,0|2,0,0]=3 2152 B8R0.8 CCCNC(=O)[C@H](C)O 1626a_100020643023_217856618621 [0,1,0,0,0,0|2,0,0]=3 2153 B8R0.8 CCCNC(=O)[C@H](C)O 240690a_100020643023_217856618621 [0,1,0,0,0,0|2,0,0]=3 2154 B8R0.8 CCNCC(=O)C(C)C 2230a_100015525214_100000753385 [0,1,0,0,0,0|2,0,0]=3 2155 B8R0.8 CCNCC(=O)N(C)C 2230a_100015183351_100000210202 [0,1,0,0,0,0|2,0,0]=3 2156 B8R0.8 CCNCC(=O)N(C)C 2230a_100015525214_100000185267 [0,1,0,0,0,0|2,0,0]=3 2157 B8R0.8 CCNNC(=O)C(C)C 22a_100000756455_100000210198 [0,1,0,0,0,0|3,0,0]=4 2158 B8R0.8 CCNNC(=O)C(C)F 22a_100000756455_100000062450 [0,1,0,0,0,0|3,0,0]=4 2159 B8R0.8 CCNNC(=O)[C@@H](C)O 22a_100000756455_100000717761 [0,1,0,0,0,0|3,0,0]=4 2160 B8R0.8 CCNNC(=O)[C@H](C)O 22a_100000756455_217856618621 [0,1,0,0,0,0|3,0,0]=4 2161 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [0,1,0,0,0,0|2,0,0]=3 2162 B8R0.8 CCOCC(=O)C(C)C 1458a_100000211967_100000210206 [0,1,0,0,0,0|2,0,0]=3 2163 B8R0.8 CCOCC(=O)C(C)C 34a_100121572206_100000753385 [0,1,0,0,0,0|2,0,0]=3 2164 B8R0.8 CCOCC(=O)N(C)C 11a_100102631434_100000211967 [0,1,0,0,0,0|2,0,0]=3 2165 B8R0.8 CCOCC(=O)N(C)C 1626a_100102631434_100000211967 [0,1,0,0,0,0|2,0,0]=3 2166 B8R0.8 CCOCC(=O)N(C)C 240690a_100102631434_100000211967 [0,1,0,0,0,0|2,0,0]=3 2167 B8R0.8 CCOCC(=O)N(C)C 34a_100121572206_100000692301 [0,1,0,0,0,0|2,0,0]=3 2168 B8R0.8 CCOCC(=O)N(C)C 527a_100102631434_100000211967 [0,1,0,0,0,0|2,0,0]=3 2169 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [0,1,0,0,0,0|2,0,0]=3 2170 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [0,1,0,0,0,0|2,0,0]=3 2171 B8R0.8 CCSCC(=O)C(C)C 1458a_100000230394_100000210206 [0,1,0,0,0,0|2,0,0]=3 2172 B8R0.8 CCSCC(=O)C(C)C 62a_100000210202_100000753385 [0,1,0,0,0,0|2,0,0]=3 2173 B8R0.8 CCSCC(=O)C(C)C 62a_100000753385_100000210202 [0,1,0,0,0,0|2,0,0]=3 2174 B8R0.8 CCSCC(=O)N(C)C 11a_100102631434_100000230394 [0,1,0,0,0,0|2,0,0]=3 2175 B8R0.8 CCSCC(=O)N(C)C 1626a_100102631434_100000230394 [0,1,0,0,0,0|2,0,0]=3 2176 B8R0.8 CCSCC(=O)N(C)C 240690a_100102631434_100000230394 [0,1,0,0,0,0|2,0,0]=3 2177 B8R0.8 CCSCC(=O)N(C)C 527a_100102631434_100000230394 [0,1,0,0,0,0|2,0,0]=3 2178 B8R0.8 CCSCC(=O)N(C)C 62a_100000210202_100000692301 [0,1,0,0,0,0|2,0,0]=3 2179 B8R0.8 CCSCC(=O)N(C)C 62a_100000692301_100000210202 [0,1,0,0,0,0|2,0,0]=3 2180 B8R0.8 CN(C)C(=O)CCC#N 11a_100102631434_100011934036 [0,1,0,0,0,0|2,0,1]=4 2181 B8R0.8 CN(C)C(=O)CCC#N 1626a_100102631434_100011934036 [0,1,0,0,0,0|2,0,1]=4 2182 B8R0.8 CN(C)C(=O)CCC#N 240690a_100102631434_100011934036 [0,1,0,0,0,0|2,0,1]=4 2183 B8R0.8 CN(C)C(=O)CCC#N 527a_100102631434_100011934036 [0,1,0,0,0,0|2,0,1]=4 2184 B8R0.8 CN(C)C(=O)CCN[13CH3] 2230a_100000738053_200025704644 [0,1,0,0,0,0|2,0,0]=3 2185 B8R0.8 CN(C)C(=O)CCO[13CH3] 34a_200000747469_200025704644 [0,1,0,0,0,0|2,0,0]=3 2186 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_100000737620_200025704644 [0,1,0,0,0,0|2,0,0]=3 2187 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_200025704644_100000737620 [0,1,0,0,0,0|2,0,0]=3 2188 B8R0.8 CN(C)C(=O)CSCF 62a_100000692301_100015361967 [0,1,0,0,0,0|3,0,0]=4 2189 B8R0.8 CN(C)C(=O)CSCF 62a_100015361967_100000692301 [0,1,0,0,0,0|3,0,0]=4 2190 B8R0.8 CNCCC(=O)N(C)C 2230a_100000738053_200000210301 [0,1,0,0,0,0|2,0,0]=3 2191 B8R0.8 CNCCC(=O)N(C)C 2230a_106832991635_100000737620 [0,1,0,0,0,0|2,0,0]=3 2192 B8R0.8 CNCCC(=O)N(C)C 7a_106832991635_100000737620 [0,1,0,0,0,0|2,0,0]=3 2193 B8R0.8 COCCC(=O)C(C)C 1458a_100000210198_100000233755 [0,1,0,0,0,0|2,0,0]=3 2194 B8R0.8 COCCC(=O)C(C)C 1458a_100000749529_100000210206 [0,1,0,0,0,0|2,0,0]=3 2195 B8R0.8 COCCC(=O)C(C)F 1458a_100000062450_100000233755 [0,1,0,0,0,0|2,0,0]=3 2196 B8R0.8 COCCC(=O)C(O)O 1458a_100000233687_100000233755 [0,1,0,0,0,0|3,0,0]=4 2197 B8R0.8 COCCC(=O)N(C)C 11a_100102631434_100000749529 [0,1,0,0,0,0|2,0,0]=3 2198 B8R0.8 COCCC(=O)N(C)C 1626a_100102631434_100000749529 [0,1,0,0,0,0|2,0,0]=3 2199 B8R0.8 COCCC(=O)N(C)C 240690a_100102631434_100000749529 [0,1,0,0,0,0|2,0,0]=3 2200 B8R0.8 COCCC(=O)N(C)C 34a_200000747469_200000210301 [0,1,0,0,0,0|2,0,0]=3 2201 B8R0.8 COCCC(=O)N(C)C 527a_100102631434_100000749529 [0,1,0,0,0,0|2,0,0]=3 2202 B8R0.8 COCCC(=O)[C@@H](C)O 1458a_100000717761_100000233755 [0,1,0,0,0,0|2,0,0]=3 2203 B8R0.8 COCCC(=O)[C@H](C)O 1458a_217856618621_100000233755 [0,1,0,0,0,0|2,0,0]=3 2204 B8R0.8 CSCCC(=O)C(C)C 1458a_100000174002_100000210206 [0,1,0,0,0,0|2,0,0]=3 2205 B8R0.8 CSCCC(=O)C(C)C 1458a_100000210198_100000751147 [0,1,0,0,0,0|2,0,0]=3 2206 B8R0.8 CSCCC(=O)C(C)F 1458a_100000062450_100000751147 [0,1,0,0,0,0|2,0,0]=3 2207 B8R0.8 CSCCC(=O)C(O)O 1458a_100000233687_100000751147 [0,1,0,0,0,0|3,0,0]=4 2208 B8R0.8 CSCCC(=O)N(C)C 11a_100102631434_100000174002 [0,1,0,0,0,0|2,0,0]=3 2209 B8R0.8 CSCCC(=O)N(C)C 1626a_100102631434_100000174002 [0,1,0,0,0,0|2,0,0]=3 2210 B8R0.8 CSCCC(=O)N(C)C 240690a_100102631434_100000174002 [0,1,0,0,0,0|2,0,0]=3 2211 B8R0.8 CSCCC(=O)N(C)C 527a_100102631434_100000174002 [0,1,0,0,0,0|2,0,0]=3 2212 B8R0.8 CSCCC(=O)N(C)C 62a_100000737620_200000210301 [0,1,0,0,0,0|2,0,0]=3 2213 B8R0.8 CSCCC(=O)N(C)C 62a_200000210301_100000737620 [0,1,0,0,0,0|2,0,0]=3 2214 B8R0.8 CSCCC(=O)[C@@H](C)O 1458a_100000717761_100000751147 [0,1,0,0,0,0|2,0,0]=3 2215 B8R0.8 CSCCC(=O)[C@H](C)O 1458a_217856618621_100000751147 [0,1,0,0,0,0|2,0,0]=3 2216 B8R0.8 CSCOC(=O)C(C)C 62a_100000139345_200000210301 [0,1,0,0,0,0|3,0,0]=4 2217 B8R0.8 CSCOC(=O)C(C)C 62a_200000210301_100000139345 [0,1,0,0,0,0|3,0,0]=4 2218 B8R0.8 C[C@@H](O)C(=O)CCC#N 1458a_100000717761_100011215226 [0,1,0,0,0,0|2,0,1]=4 2219 B8R0.8 C[C@@H](O)C(=O)CCCF 1458a_100000717761_100011934791 [0,1,0,0,0,0|2,0,0]=3 2220 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [0,1,0,0,0,0|2,0,0]=3 2221 B8R0.8 C[C@@H](O)C(=O)NCCF 240690a_100000724931_100000717761 [0,1,0,0,0,0|3,0,0]=4 2222 B8R0.8 C[C@@H](O)C(=O)NCCO 240690a_100000210304_100000717761 [0,1,0,0,0,0|3,0,0]=4 2223 B8R0.8 C[C@H](O)C(=O)CCC#N 1458a_217856618621_100011215226 [0,1,0,0,0,0|2,0,1]=4 2224 B8R0.8 C[C@H](O)C(=O)CCCF 1458a_217856618621_100011934791 [0,1,0,0,0,0|2,0,0]=3 2225 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [0,1,0,0,0,0|2,0,0]=3 2226 B8R0.8 C[C@H](O)C(=O)NCCF 1626a_100000724931_217856618621 [0,1,0,0,0,0|3,0,0]=4 2227 B8R0.8 C[C@H](O)C(=O)NCCF 240690a_100000724931_217856618621 [0,1,0,0,0,0|3,0,0]=4 2228 B8R0.8 C[C@H](O)C(=O)NCCO 240690a_100000210304_217856618621 [0,1,0,0,0,0|3,0,0]=4 2229 B8R0.8 O=C(CCCF)C(O)O 1458a_100000233687_100011934791 [0,1,0,0,0,0|3,0,0]=4 2230 B8R0.8 O=C(CCCO)C(O)O 1458a_100000233687_100011215043 [0,1,0,0,0,0|3,0,0]=4 2231 B8R0.9 C#CC(=O)CCC(=C)C 1458a_100000211873_100000730704 [0,1,0,0,0,0|1,0,2]=4 2232 B8R0.9 C#CC(=O)CCC(C)C 1458a_100000211873_100000210312 [0,1,0,0,0,0|1,0,1]=3 2233 B8R0.9 C#CC(=O)CCC(C)O 1458a_100000211873_100012276601 [0,1,0,0,0,0|1,0,1]=3 2234 B8R0.9 C=C(C)CCC(=O)CC 1458a_100000210414_100000730704 [0,1,0,0,0,0|1,0,1]=3 2235 B8R0.9 C=C(C)CCC(=O)CC 1458a_200000688413_100000210202 [0,1,0,0,0,0|1,0,1]=3 2236 B8R0.9 C=C(C)CCC(=O)CF 1458a_200000688413_100015361967 [0,1,0,0,0,0|2,0,1]=4 2237 B8R0.9 C=C(C)CCC(=O)CO 1458a_100000210174_100000730704 [0,1,0,0,0,0|2,0,1]=4 2238 B8R0.9 C=C(C)CCC(=O)NC 11a_106832991635_200000688413 [0,1,0,0,0,0|1,0,1]=3 2239 B8R0.9 C=C(C)CCC(=O)NC 1626a_100102657272_200000688413 [0,1,0,0,0,0|1,0,1]=3 2240 B8R0.9 C=C(C)CCC(=O)NC 240690a_100102657272_200000688413 [0,1,0,0,0,0|1,0,1]=3 2241 B8R0.9 C=C(C)CCC(=O)NC 527a_100102657272_200000688413 [0,1,0,0,0,0|1,0,1]=3 2242 B8R0.9 C=C(C)CNC(=O)CC 11a_100000765925_100000210414 [0,1,0,0,0,0|2,0,1]=4 2243 B8R0.9 C=C(C)CNC(=O)CC 1626a_100000765925_100000210414 [0,1,0,0,0,0|2,0,1]=4 2244 B8R0.9 C=C(C)CNC(=O)CC 240690a_100000765925_100000210414 [0,1,0,0,0,0|2,0,1]=4 2245 B8R0.9 C=C(C)CNC(=O)CC 527a_100000765925_100000210414 [0,1,0,0,0,0|2,0,1]=4 2246 B8R0.9 C=C(C)CNC(=O)NC 2708a_100000765925_106832991635 [0,1,0,0,0,0|2,0,1]=4 2247 B8R0.9 C=C(C)CNC(=O)NC 2708a_100102657272_100000765925 [0,1,0,0,0,0|2,0,1]=4 2248 B8R0.9 C=C(C)CNC(=O)NC 273464a_100000765925_100102657272 [0,1,0,0,0,0|2,0,1]=4 2249 B8R0.9 C=C(C)CNC(=O)NC 273464a_100102657272_100000765925 [0,1,0,0,0,0|2,0,1]=4 2250 B8R0.9 C=C(C)CNC(=O)NC 512a_100000765925_100102657272 [0,1,0,0,0,0|2,0,1]=4 2251 B8R0.9 C=C(C)CNC(=O)NC 512a_106832991638_100000765925 [0,1,0,0,0,0|2,0,1]=4 2252 B8R0.9 C=CC(=O)CCC(=C)C 1458a_100000185746_100000730704 [0,1,0,0,0,0|1,0,2]=4 2253 B8R0.9 C=CC(=O)CCC(C)C 1458a_100000185746_100000210312 [0,1,0,0,0,0|1,0,1]=3 2254 B8R0.9 C=CC(=O)CCC(C)O 1458a_100000185746_100012276601 [0,1,0,0,0,0|1,0,1]=3 2255 B8R0.9 C=CC(=O)NCC(C)C 1626a_100000210953_100000185746 [0,1,0,0,0,0|2,0,1]=4 2256 B8R0.9 C=CC(=O)NCC(C)C 240690a_100000210953_200121576911 [0,1,0,0,0,0|2,0,1]=4 2257 B8R0.9 C=CC(=O)NCC(C)O 240690a_100000210904_200121576911 [0,1,0,0,0,0|2,0,1]=4 2258 B8R0.9 CC(C)CCC(=O)CF 1458a_100000181311_100015361967 [0,1,0,0,0,0|2,0,0]=3 2259 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [0,1,0,0,0,0|2,0,0]=3 2260 B8R0.9 CC(C)CCC(C)N[13CH3] 2230a_100138410893_200025704644 [0,1,0,0,0,0|2,0,1]=4 2261 B8R0.9 CC(C)CCC(C)O[13CH3] 34a_100011215350_200025704644 [0,1,0,0,0,0|1,0,1]=3 2262 B8R0.9 CC(C)CCC(C)O[13CH3] 7a_100011215350_200025704644 [0,1,0,0,0,0|1,0,1]=3 2263 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_100011261404_200025704644 [0,1,0,0,0,0|1,1,1]=4 2264 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_200025704644_100011261404 [0,1,0,0,0,0|1,1,1]=4 2265 B8R0.9 CC(C)CNC(=O)CO 240690a_100000210953_100000210174 [0,1,0,0,0,0|3,0,0]=4 2266 B8R0.9 CC(C)CNC(=O)CO 527a_100000210953_100000210174 [0,1,0,0,0,0|3,0,0]=4 2267 B8R0.9 CC(C)OCC(=O)CF 1458a_100000745533_100015361967 [0,1,0,0,0,0|3,0,0]=4 2268 B8R0.9 CC(C)SCC(=O)CF 1458a_100000241585_100015361967 [0,1,0,0,0,0|3,0,0]=4 2269 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [0,1,0,0,0,0|2,0,0]=3 2270 B8R0.9 CC(O)CNC(=O)CO 240690a_100000210904_100000210174 [0,1,0,0,0,0|3,0,0]=4 2271 B8R0.9 CC(O)CNC(=O)CO 527a_100000210904_100000210174 [0,1,0,0,0,0|3,0,0]=4 2272 B8R0.9 CCC(=O)C=CC(C)C 1458a_100016268746_100000210202 [0,1,0,0,0,0|1,0,2]=4 2273 B8R0.9 CCC(=O)CC=C(C)C 1458a_100000210414_100000761012 [0,1,0,0,0,0|1,0,2]=4 2274 B8R0.9 CCC(=O)CC=C(C)C 1458a_100011220947_100000210202 [0,1,0,0,0,0|1,0,2]=4 2275 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [0,1,0,0,0,0|2,0,1]=4 2276 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [0,1,0,0,0,0|1,0,0]=2 2277 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [0,1,0,0,0,0|1,0,0]=2 2278 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [0,1,0,0,0,0|1,0,0]=2 2279 B8R0.9 CCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210202 [0,1,0,0,0,0|3,0,0]=4 2280 B8R0.9 CCC(=O)CC[S+](C)C 1458a_100009452791_100000210202 [0,1,0,0,0,0|2,0,0]=3 2281 B8R0.9 CCC(=O)CNC(=O)C 1458a_100000194580_100000210202 [0,1,0,0,0,0|2,0,1]=4 2282 B8R0.9 CCC(=O)COC(=O)C 1458a_100000183556_100000210202 [0,1,0,0,0,0|2,0,1]=4 2283 B8R0.9 CCC(=O)COC(C)C 1458a_100000745533_100000210202 [0,1,0,0,0,0|2,0,0]=3 2284 B8R0.9 CCC(=O)COC(C)C 34a_100000725409_100000210206 [0,1,0,0,0,0|2,0,0]=3 2285 B8R0.9 CCC(=O)COC(F)F 1458a_200000719455_100000210202 [0,1,0,0,0,0|3,0,0]=4 2286 B8R0.9 CCC(=O)CSC(=O)C 1458a_100000049016_100000210202 [0,1,0,0,0,0|2,0,1]=4 2287 B8R0.9 CCC(=O)CSC(C)C 1458a_100000241585_100000210202 [0,1,0,0,0,0|2,0,0]=3 2288 B8R0.9 CCC(=O)CSC(C)C 62a_100000210206_100000747405 [0,1,0,0,0,0|2,0,0]=3 2289 B8R0.9 CCC(=O)CSC(C)C 62a_100000747405_100000210206 [0,1,0,0,0,0|2,0,0]=3 2290 B8R0.9 CCC(=O)CSC(F)F 1458a_114828291038_100000210202 [0,1,0,0,0,0|3,0,0]=4 2291 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [0,1,0,0,0,0|2,0,1]=4 2292 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [0,1,0,0,0,0|2,0,1]=4 2293 B8R0.9 CCC(=O)NCC(C)C 11a_100000210953_100000210414 [0,1,0,0,0,0|2,0,0]=3 2294 B8R0.9 CCC(=O)NCC(C)C 1626a_100000210953_100000210414 [0,1,0,0,0,0|2,0,0]=3 2295 B8R0.9 CCC(=O)NCC(C)C 240690a_100000210953_100000210414 [0,1,0,0,0,0|2,0,0]=3 2296 B8R0.9 CCC(=O)NCC(C)C 527a_100000210953_100000210414 [0,1,0,0,0,0|2,0,0]=3 2297 B8R0.9 CCC(=O)NCC(C)O 11a_100000210904_100000210414 [0,1,0,0,0,0|2,0,0]=3 2298 B8R0.9 CCC(=O)NCC(C)O 240690a_100000210904_100000210414 [0,1,0,0,0,0|2,0,0]=3 2299 B8R0.9 CCC(=O)NCC(C)O 527a_100000210904_100000210414 [0,1,0,0,0,0|2,0,0]=3 2300 B8R0.9 CCC(=O)NCC(F)F 11a_100000765723_100000210414 [0,1,0,0,0,0|3,0,0]=4 2301 B8R0.9 CCC(=O)NCC(F)F 1626a_100000765723_100000210414 [0,1,0,0,0,0|3,0,0]=4 2302 B8R0.9 CCC(=O)NCC(F)F 240690a_100000765723_100000210414 [0,1,0,0,0,0|3,0,0]=4 2303 B8R0.9 CCC(=O)NCC(F)F 527a_100000765723_100000210414 [0,1,0,0,0,0|3,0,0]=4 2304 B8R0.9 CCC(=O)NNC(C)C 22a_100000741168_100000210414 [0,1,0,0,0,0|3,0,0]=4 2305 B8R0.9 CCN(C)CCC(C)C 2230a_100000207693_200000210301 [0,1,0,0,0,0|3,0,0]=4 2306 B8R0.9 CCN(C)CCC(C)C 2230a_100000225621_100000210312 [0,1,0,0,0,0|3,0,0]=4 2307 B8R0.9 CCN(C)CCC(C)C 2230a_100000742789_100000210202 [0,1,0,0,0,0|3,0,0]=4 2308 B8R0.9 CCN(C)CCC(C)C 269982a_100000207693_200000210301 [0,1,0,0,0,0|3,0,0]=4 2309 B8R0.9 CCN(C)CCC(C)C 269982a_100000225621_100000210312 [0,1,0,0,0,0|3,0,0]=4 2310 B8R0.9 CCN(C)CCC(C)C 269982a_100000742789_100000204670 [0,1,0,0,0,0|3,0,0]=4 2311 B8R0.9 CCN(C)CCC(C)O 2230a_100000225621_100012276601 [0,1,0,0,0,0|3,0,0]=4 2312 B8R0.9 CCN(C)CCC(C)O 269982a_100000225621_100012276601 [0,1,0,0,0,0|3,0,0]=4 2313 B8R0.9 CCN([13CH3])CCC(C)C 2230a_100000207693_200025704644 [0,1,0,0,0,0|3,0,0]=4 2314 B8R0.9 CCN([13CH3])CCC(C)C 269982a_100000207693_200025704644 [0,1,0,0,0,0|3,0,0]=4 2315 B8R0.9 CCS(=O)CCC(=O)C 1458a_100011387550_200000210301 [0,1,0,0,0,0|2,0,1]=4 2316 B8R0.9 CCS(=O)CCC(=O)[13CH3] 1458a_100011387550_200025704644 [0,1,0,0,0,0|2,0,1]=4 2317 B8R0.9 CNC(=O)C=CC(C)C 11a_106832991635_100016268746 [0,1,0,0,0,0|1,0,2]=4 2318 B8R0.9 CNC(=O)C=CC(C)C 1626a_100102657272_100016268746 [0,1,0,0,0,0|1,0,2]=4 2319 B8R0.9 CNC(=O)C=CC(C)C 240690a_100102657272_100016268746 [0,1,0,0,0,0|1,0,2]=4 2320 B8R0.9 CNC(=O)CC=C(C)C 11a_106832991635_100011220947 [0,1,0,0,0,0|1,0,2]=4 2321 B8R0.9 CNC(=O)CC=C(C)C 1626a_100102657272_100011220947 [0,1,0,0,0,0|1,0,2]=4 2322 B8R0.9 CNC(=O)CC=C(C)C 240690a_100102657272_100011220947 [0,1,0,0,0,0|1,0,2]=4 2323 B8R0.9 CNC(=O)CC=C(C)C 527a_100102657272_100011220947 [0,1,0,0,0,0|1,0,2]=4 2324 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [0,1,0,0,0,0|1,0,1]=3 2325 B8R0.9 CNC(=O)CCC(=O)N 240690a_100102657272_100011215257 [0,1,0,0,0,0|2,0,1]=4 2326 B8R0.9 CNC(=O)CCC(=O)N 527a_100102657272_100011215257 [0,1,0,0,0,0|2,0,1]=4 2327 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [0,1,0,0,0,0|1,0,1]=3 2328 B8R0.9 CNC(=O)CCC(C)C 11a_106832991635_100000181311 [0,1,0,0,0,0|1,0,0]=2 2329 B8R0.9 CNC(=O)CCC(C)C 1626a_100102657272_100000181311 [0,1,0,0,0,0|1,0,0]=2 2330 B8R0.9 CNC(=O)CCC(C)C 240690a_100102657272_100000181311 [0,1,0,0,0,0|1,0,0]=2 2331 B8R0.9 CNC(=O)CCC(C)C 527a_100102657272_100000181311 [0,1,0,0,0,0|1,0,0]=2 2332 B8R0.9 CNC(=O)CCC(C)O 1626a_100102657272_100000718519 [0,1,0,0,0,0|1,0,0]=2 2333 B8R0.9 CNC(=O)CCN(C)C 11a_106832991635_100000689311 [0,1,0,0,0,0|2,0,0]=3 2334 B8R0.9 CNC(=O)CCN(C)C 2230a_100000750875_200000210301 [0,1,0,0,0,0|2,0,0]=3 2335 B8R0.9 CNC(=O)CCN(C)C 2230a_100102631434_100000737683 [0,1,0,0,0,0|2,0,0]=3 2336 B8R0.9 CNC(=O)CCN(C)C 240690a_100102657272_100000689311 [0,1,0,0,0,0|2,0,0]=3 2337 B8R0.9 CNC(=O)CCN(C)C 269982a_100000750875_200000210301 [0,1,0,0,0,0|2,0,0]=3 2338 B8R0.9 CNC(=O)CCN(C)C 269982a_100102631434_100000737683 [0,1,0,0,0,0|2,0,0]=3 2339 B8R0.9 CNC(=O)CCN(C)C 527a_100102657272_100000689311 [0,1,0,0,0,0|2,0,0]=3 2340 B8R0.9 CNC(=O)CCN(C)[13CH3] 2230a_100000750875_200025704644 [0,1,0,0,0,0|2,0,0]=3 2341 B8R0.9 CNC(=O)CCN(C)[13CH3] 269982a_100000750875_200025704644 [0,1,0,0,0,0|2,0,0]=3 2342 B8R0.9 CNC(=O)CC[N+](=O)[O-] 11a_106832991635_200000064761 [0,1,0,0,0,0|3,0,0]=4 2343 B8R0.9 CNC(=O)CC[N+](=O)[O-] 1626a_100102657272_200000064761 [0,1,0,0,0,0|3,0,0]=4 2344 B8R0.9 CNC(=O)CC[N+](=O)[O-] 240690a_100102657272_200000064761 [0,1,0,0,0,0|3,0,0]=4 2345 B8R0.9 CNC(=O)CC[S+](C)C 11a_106832991635_100009452791 [0,1,0,0,0,0|2,0,0]=3 2346 B8R0.9 CNC(=O)CC[S+](C)C 1626a_100102657272_100009452791 [0,1,0,0,0,0|2,0,0]=3 2347 B8R0.9 CNC(=O)CC[S+](C)C 240690a_100102657272_100009452791 [0,1,0,0,0,0|2,0,0]=3 2348 B8R0.9 CNC(=O)CNC(=O)C 11a_100000693194_100015343762 [0,1,0,0,0,0|2,0,1]=4 2349 B8R0.9 CNC(=O)CNC(=O)C 11a_106832991635_100000194580 [0,1,0,0,0,0|2,0,1]=4 2350 B8R0.9 CNC(=O)CNC(=O)C 1626a_100102657272_100000194580 [0,1,0,0,0,0|2,0,1]=4 2351 B8R0.9 CNC(=O)CNC(=O)C 240690a_100000693194_100015343762 [0,1,0,0,0,0|2,0,1]=4 2352 B8R0.9 CNC(=O)CNC(=O)C 240690a_100102657272_100000194580 [0,1,0,0,0,0|2,0,1]=4 2353 B8R0.9 CNC(=O)CNC(=O)C 527a_100000693194_100103153847 [0,1,0,0,0,0|2,0,1]=4 2354 B8R0.9 CNC(=O)CNC(=O)C 527a_100102657272_100000194580 [0,1,0,0,0,0|2,0,1]=4 2355 B8R0.9 CNC(=O)CNC(C)C 2230a_100000693194_100000210206 [0,1,0,0,0,0|2,0,0]=3 2356 B8R0.9 CNC(=O)CNC(C)C 2230a_100138425928_100000183359 [0,1,0,0,0,0|2,0,0]=3 2357 B8R0.9 CNC(=O)CNC(C)C 34a_100138425928_100000183359 [0,1,0,0,0,0|2,0,0]=3 2358 B8R0.9 CNC(=O)COC(=O)C 1626a_100102657272_100000183556 [0,1,0,0,0,0|2,0,1]=4 2359 B8R0.9 CNC(=O)COC(=O)C 240690a_100102657272_100000183556 [0,1,0,0,0,0|2,0,1]=4 2360 B8R0.9 CNC(=O)COC(=O)C 527a_100102657272_100000183556 [0,1,0,0,0,0|2,0,1]=4 2361 B8R0.9 CNC(=O)COC(C)C 11a_106832991635_100000745533 [0,1,0,0,0,0|2,0,0]=3 2362 B8R0.9 CNC(=O)COC(C)C 1626a_100102657272_100000745533 [0,1,0,0,0,0|2,0,0]=3 2363 B8R0.9 CNC(=O)COC(C)C 240690a_100102657272_100000745533 [0,1,0,0,0,0|2,0,0]=3 2364 B8R0.9 CNC(=O)COC(C)C 34a_100000212225_100000183359 [0,1,0,0,0,0|2,0,0]=3 2365 B8R0.9 CNC(=O)COC(C)C 34a_100000750040_100000210206 [0,1,0,0,0,0|2,0,0]=3 2366 B8R0.9 CNC(=O)COC(C)C 527a_100102657272_100000745533 [0,1,0,0,0,0|2,0,0]=3 2367 B8R0.9 CNC(=O)COC(F)F 11a_106832991635_200000719455 [0,1,0,0,0,0|3,0,0]=4 2368 B8R0.9 CNC(=O)COC(F)F 1626a_100102657272_200000719455 [0,1,0,0,0,0|3,0,0]=4 2369 B8R0.9 CNC(=O)COC(F)F 240690a_100102657272_200000719455 [0,1,0,0,0,0|3,0,0]=4 2370 B8R0.9 CNC(=O)COC(F)F 527a_100102657272_200000719455 [0,1,0,0,0,0|3,0,0]=4 2371 B8R0.9 CNC(=O)CSC(=O)C 11a_106832991635_100000049016 [0,1,0,0,0,0|2,0,1]=4 2372 B8R0.9 CNC(=O)CSC(=O)C 1626a_100102657272_100000049016 [0,1,0,0,0,0|2,0,1]=4 2373 B8R0.9 CNC(=O)CSC(=O)C 240690a_100102657272_100000049016 [0,1,0,0,0,0|2,0,1]=4 2374 B8R0.9 CNC(=O)CSC(C)C 11a_106832991635_100000241585 [0,1,0,0,0,0|2,0,0]=3 2375 B8R0.9 CNC(=O)CSC(C)C 1626a_100102657272_100000241585 [0,1,0,0,0,0|2,0,0]=3 2376 B8R0.9 CNC(=O)CSC(C)C 240690a_100102657272_100000241585 [0,1,0,0,0,0|2,0,0]=3 2377 B8R0.9 CNC(=O)CSC(C)C 527a_100102657272_100000241585 [0,1,0,0,0,0|2,0,0]=3 2378 B8R0.9 CNC(=O)CSC(C)C 62a_100000183359_100000210206 [0,1,0,0,0,0|2,0,0]=3 2379 B8R0.9 CNC(=O)CSC(C)C 62a_100000210206_100000183359 [0,1,0,0,0,0|2,0,0]=3 2380 B8R0.9 CNC(=O)CSC(F)F 11a_106832991635_114828291038 [0,1,0,0,0,0|3,0,0]=4 2381 B8R0.9 CNC(=O)CSC(F)F 1626a_100102657272_114828291038 [0,1,0,0,0,0|3,0,0]=4 2382 B8R0.9 CNC(=O)CSC(F)F 240690a_100102657272_114828291038 [0,1,0,0,0,0|3,0,0]=4 2383 B8R0.9 CNC(=O)CSC(F)F 527a_100102657272_114828291038 [0,1,0,0,0,0|3,0,0]=4 2384 B8R0.9 CNC(=O)NCC(C)C 2708a_100000210953_106832991635 [0,1,0,0,0,0|2,0,0]=3 2385 B8R0.9 CNC(=O)NCC(C)C 2708a_100102657272_100000210953 [0,1,0,0,0,0|2,0,0]=3 2386 B8R0.9 CNC(=O)NCC(C)C 273464a_100000210953_100102657272 [0,1,0,0,0,0|2,0,0]=3 2387 B8R0.9 CNC(=O)NCC(C)C 273464a_100102657272_100000210953 [0,1,0,0,0,0|2,0,0]=3 2388 B8R0.9 CNC(=O)NCC(C)C 512a_100000210953_100102657272 [0,1,0,0,0,0|2,0,0]=3 2389 B8R0.9 CNC(=O)NCC(C)C 512a_106832991638_100000210953 [0,1,0,0,0,0|2,0,0]=3 2390 B8R0.9 CNC(=O)NCC(C)O 2708a_100102657272_100000210904 [0,1,0,0,0,0|2,0,0]=3 2391 B8R0.9 CNC(=O)NCC(C)O 273464a_100000210904_100102657272 [0,1,0,0,0,0|2,0,0]=3 2392 B8R0.9 CNC(=O)NCC(C)O 273464a_100102657272_100000210904 [0,1,0,0,0,0|2,0,0]=3 2393 B8R0.9 CNC(=O)NCC(C)O 512a_100000210904_100102657272 [0,1,0,0,0,0|2,0,0]=3 2394 B8R0.9 CNC(=O)NCC(C)O 512a_106832991638_100000210904 [0,1,0,0,0,0|2,0,0]=3 2395 B8R0.9 CNC(=O)NCC(F)F 2708a_100102657272_100000765723 [0,1,0,0,0,0|3,0,0]=4 2396 B8R0.9 CNC(=O)NCC(F)F 273464a_100000765723_100102657272 [0,1,0,0,0,0|3,0,0]=4 2397 B8R0.9 CNC(=O)NCC(F)F 273464a_100102657272_100000765723 [0,1,0,0,0,0|3,0,0]=4 2398 B8R0.9 CNC(=O)NCC(F)F 512a_100000765723_100102657272 [0,1,0,0,0,0|3,0,0]=4 2399 B8R0.9 CNC(=O)NCC(F)F 512a_106832991638_100000765723 [0,1,0,0,0,0|3,0,0]=4 2400 B8R0.9 CNC(=O)NNC(C)C 273464a_100102657272_100000741168 [0,1,0,0,0,0|3,0,0]=4 2401 B8R0.9 CNC(=O)NNC(C)C 512a_100000741168_100102657272 [0,1,0,0,0,0|3,0,0]=4 2402 B8R0.9 CNC(=O)NNC(C)C 512a_106832991638_100000741168 [0,1,0,0,0,0|3,0,0]=4 2403 B8R0.9 CNC(C)CCC(C)C 2230a_100138410893_200000210301 [0,1,0,0,0,0|2,0,1]=4 2404 B8R0.9 CNC(C)CCC(C)C 2230a_106832991635_100011261404 [0,1,0,0,0,0|2,0,1]=4 2405 B8R0.9 CNC(C)CCC(C)C 270004a_106832991635_100000210476 [0,1,0,0,0,0|2,0,1]=4 2406 B8R0.9 CNC(C)CCC(C)C 34a_100102657272_100011261404 [0,1,0,0,0,0|2,0,1]=4 2407 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [0,1,0,0,0,0|0,0,1]=2 2408 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [0,1,0,0,0,0|0,0,1]=2 2409 B8R0.9 COC(=O)CCN(C)C 2230a_100102631434_100000204255 [0,1,0,0,0,0|1,0,0]=2 2410 B8R0.9 COC(=O)CCN(C)C 269982a_100025711912_200000210301 [0,1,0,0,0,0|1,0,0]=2 2411 B8R0.9 COC(=O)CCN(C)C 269982a_100102631434_100000204255 [0,1,0,0,0,0|1,0,0]=2 2412 B8R0.9 COC(=O)CCN(C)[13CH3] 269982a_100025711912_200025704644 [0,1,0,0,0,0|1,0,0]=2 2413 B8R0.9 COC(=O)CNC(=O)C 188690a_100000185156_100015343762 [0,1,0,0,0,0|1,0,1]=3 2414 B8R0.9 COC(=O)CNC(C)C 2230a_100138425928_100000747449 [0,1,0,0,0,0|1,0,0]=2 2415 B8R0.9 COC(=O)CNC(C)C 34a_100138425928_100000747449 [0,1,0,0,0,0|1,0,0]=2 2416 B8R0.9 COC(=O)COC(C)C 34a_100000212225_100000747449 [0,1,0,0,0,0|1,0,0]=2 2417 B8R0.9 COC(=O)CSC(C)C 62a_100000210206_100000747449 [0,1,0,0,0,0|1,0,0]=2 2418 B8R0.9 COC(=O)CSC(C)C 62a_100000747449_100000210206 [0,1,0,0,0,0|1,0,0]=2 2419 B8R0.9 COC(=O)NCC(=O)C 1458a_100000215747_200000210301 [0,1,0,0,0,0|1,0,1]=3 2420 B8R0.9 COC(=O)NCC(=O)[13CH3] 1458a_100000215747_200025704644 [0,1,0,0,0,0|1,0,1]=3 2421 B8R0.9 COC(C)CCC(C)C 34a_100011215350_200000210301 [0,1,0,0,0,0|1,0,1]=3 2422 B8R0.9 COC(C)CCC(C)C 34a_100138415774_100011261404 [0,1,0,0,0,0|1,0,1]=3 2423 B8R0.9 COC(C)CCC(C)C 7a_100011215350_200000210301 [0,1,0,0,0,0|1,0,1]=3 2424 B8R0.9 COC(C)COC(C)C 34a_100000690652_100000210206 [0,1,0,0,0,0|2,0,1]=4 2425 B8R0.9 COC(C)SCC(C)C 62a_100000210624_100009879195 [0,1,0,0,0,0|2,0,1]=4 2426 B8R0.9 COC(C)SCC(C)C 62a_100009879195_100000210760 [0,1,0,0,0,0|2,0,1]=4 2427 B8R0.9 COC(C)SCC(C)O 62a_100009879195_100011218427 [0,1,0,0,0,0|2,0,1]=4 2428 B8R0.9 COC(C)SCC(C)O 62a_100011218427_100009879195 [0,1,0,0,0,0|2,0,1]=4 2429 B8R0.9 COC(C)SC[C@@H](C)O 62a_100009817552_100009879195 [0,1,0,0,0,0|2,0,1]=4 2430 B8R0.9 COC(C)SC[C@@H](C)O 62a_100009879195_100009817552 [0,1,0,0,0,0|2,0,1]=4 2431 B8R0.9 CO[C@H](C)CNC(C)C 2230a_100020591295_100000210206 [0,1,0,0,0,0|2,0,1]=4 2432 B8R0.9 CSC(C)CCC(C)C 62a_100011261404_200000210301 [0,1,0,0,0,0|1,1,1]=4 2433 B8R0.9 CSC(C)CCC(C)C 62a_200000210301_100011261404 [0,1,0,0,0,0|1,1,1]=4 2434 B8R0.9 C[S+](C)CCC(=O)CF 1458a_100009452791_100015361967 [0,1,0,0,0,0|3,0,0]=4 2435 B8R0.11 C#CC(CCCC)OC 34a_200011217967_200000210301 [0,1,0,0,0,0|1,0,1]=3 2436 B8R0.11 C#CC(CCCC)OC 7a_200011217967_200000210301 [0,1,0,0,0,0|1,0,1]=3 2437 B8R0.11 C#CC(CCCC)O[13CH3] 34a_200011217967_200025704644 [0,1,0,0,0,0|1,0,1]=3 2438 B8R0.11 C#CC(CCCC)O[13CH3] 7a_200011217967_200025704644 [0,1,0,0,0,0|1,0,1]=3 2439 B8R0.11 C=CC(CCCC)OC 34a_200011215037_200000210301 [0,1,0,0,0,0|1,0,1]=3 2440 B8R0.11 C=CC(CCCC)OC 7a_200011215037_200000210301 [0,1,0,0,0,0|1,0,1]=3 2441 B8R0.11 C=CC(CCCC)O[13CH3] 34a_200011215037_200025704644 [0,1,0,0,0,0|1,0,1]=3 2442 B8R0.11 C=CC(CCCC)O[13CH3] 7a_200011215037_200025704644 [0,1,0,0,0,0|1,0,1]=3 2443 B8R0.11 CCCCC(CC)NC 270004a_106832991635_100000753412 [0,1,0,0,0,0|2,0,1]=4 2444 B8R0.11 CCCCC(CC)NC 34a_100102657272_200011216223 [0,1,0,0,0,0|2,0,1]=4 2445 B8R0.11 CCCCC(CC)NC 7a_106832991635_200011216223 [0,1,0,0,0,0|2,0,1]=4 2446 B8R0.11 CCCCC(CC)OC 34a_100011215227_200000210301 [0,1,0,0,0,0|1,0,1]=3 2447 B8R0.11 CCCCC(CC)OC 34a_100138415774_200011216223 [0,1,0,0,0,0|1,0,1]=3 2448 B8R0.11 CCCCC(CC)OC 7a_100011215227_200000210301 [0,1,0,0,0,0|1,0,1]=3 2449 B8R0.11 CCCCC(CC)O[13CH3] 34a_100011215227_200025704644 [0,1,0,0,0,0|1,0,1]=3 2450 B8R0.11 CCCCC(CC)O[13CH3] 7a_100011215227_200025704644 [0,1,0,0,0,0|1,0,1]=3 2451 B8R0.11 CCCCC(CC)SC 62a_200000210301_200011216223 [0,1,0,0,0,0|1,1,1]=4 2452 B8R0.11 CCCCC(CC)SC 62a_200011216223_200000210301 [0,1,0,0,0,0|1,1,1]=4 2453 B8R0.11 CCCCC(CC)S[13CH3] 62a_200011216223_200025704644 [0,1,0,0,0,0|1,1,1]=4 2454 B8R0.11 CCCCC(CC)S[13CH3] 62a_200025704644_200011216223 [0,1,0,0,0,0|1,1,1]=4 2455 B8R0.11 CCCCN(CC)CC 2230a_100000207695_100000210202 [0,1,0,0,0,0|3,0,0]=4 2456 B8R0.11 CCCCN(CC)CC 2230a_100000724800_100000210211 [0,1,0,0,0,0|3,0,0]=4 2457 B8R0.11 CCCCN(CC)CC 269956a_100000042499_100000210211 [0,1,0,0,0,0|3,0,0]=4 2458 B8R0.11 CCCCN(CC)CC 269982a_100000207695_100000204670 [0,1,0,0,0,0|3,0,0]=4 2459 B8R0.11 CCCCN(CC)CC 269982a_100000724800_100000210211 [0,1,0,0,0,0|3,0,0]=4 2460 B8R0.11 CCCCN(CC)CF 269982a_100000207695_100015361967 [0,1,0,0,0,0|3,0,0]=4 2461 B8R0.11 CCCC[C@@H](CO)NC 2230a_100011934283_200000210301 [0,1,0,0,0,0|1,0,2]=4 2462 B8R0.11 CCCC[C@@H](CO)NC 34a_100011934283_200000210301 [0,1,0,0,0,0|1,0,2]=4 2463 B8R0.11 CCCC[C@@H](CO)N[13CH3] 2230a_100011934283_200025704644 [0,1,0,0,0,0|1,0,2]=4 2464 B8R0.11 CCCC[C@@H](CO)N[13CH3] 34a_100011934283_200025704644 [0,1,0,0,0,0|1,0,2]=4 2465 B8R0.11 CCNCC(OC)OC 2230a_100015525214_100000751394 [0,1,0,0,0,0|1,0,2]=4 2466 B8R0.11 CCNCC(OC)OC 270004a_100015525214_100000752162 [0,1,0,0,0,0|1,0,2]=4 2467 B8R0.11 CCOCC(CC)OC 34a_100011934954_100000210202 [0,1,0,0,0,0|2,0,1]=4 2468 B8R0.11 CCOCC(CC)OC 7a_100011934954_100000210202 [0,1,0,0,0,0|2,0,1]=4 2469 B8R0.11 CCOCC(CN)OC 34a_102515437182_200000210301 [0,1,0,0,0,0|2,0,1]=4 2470 B8R0.11 CCOCC(CN)O[13CH3] 34a_102515437182_200025704644 [0,1,0,0,0,0|2,0,1]=4 2471 B8R0.11 CCOCC(OC)OC 34a_100011216393_100000210202 [0,1,0,0,0,0|1,0,2]=4 2472 B8R0.11 CCOCC(OC)OC 34a_100121572206_100000211822 [0,1,0,0,0,0|1,0,2]=4 2473 B8R0.11 CCSCC(OC)OC 62a_100000210202_100000751394 [0,1,0,0,0,0|1,0,2]=4 2474 B8R0.11 CCSCC(OC)OC 62a_100000751394_100000210202 [0,1,0,0,0,0|1,0,2]=4 2475 B8R0.11 CNCCC(OC)OC 2230a_106832991635_100009813347 [0,1,0,0,0,0|1,0,2]=4 2476 B8R0.11 CNCCC(OC)OC 34a_100102657272_100000139399 [0,1,0,0,0,0|1,0,2]=4 2477 B8R0.11 CNCCC(OC)OC 7a_106832991635_100009813347 [0,1,0,0,0,0|1,0,2]=4 2478 B8R0.11 COC(CCSC)OC 62a_100000139399_200000210301 [0,1,0,0,0,0|1,0,2]=4 2479 B8R0.11 COC(CCSC)OC 62a_200000210301_100000139399 [0,1,0,0,0,0|1,0,2]=4 2480 B8R0.11 COC(CCS[13CH3])OC 62a_100000139399_200025704644 [0,1,0,0,0,0|1,0,2]=4 2481 B8R0.11 COC(CCS[13CH3])OC 62a_200025704644_100000139399 [0,1,0,0,0,0|1,0,2]=4 2482 B8R0.11 COCCC(OC)OC 34a_100138415774_100000139399 [0,1,0,0,0,0|1,0,2]=4 2483 B8R0.19 C#CC(=O)CC(=O)CC 1458a_100000211873_100000747405 [0,1,0,0,0,0|1,0,2]=4 2484 B8R0.19 C#CC(=O)CC(=O)OC 1458a_100000211873_100000747449 [0,1,0,0,0,0|0,0,3]=4 2485 B8R0.19 C#CC(=O)CC(C)CC 1458a_100000211873_100000748023 [0,1,0,0,0,0|1,0,1]=3 2486 B8R0.19 C#CC(=O)CC(O)CC 1458a_100000211873_100011218378 [0,1,0,0,0,0|1,0,1]=3 2487 B8R0.19 C#CC(=O)C[C@@H](C)CC 1458a_100000211873_100009816398 [0,1,0,0,0,0|1,0,1]=3 2488 B8R0.19 C#CC(=O)C[C@@H](C)CO 1458a_100000211873_100000059175 [0,1,0,0,0,0|2,0,1]=4 2489 B8R0.19 C=CC(=O)CC(=O)CC 1458a_100000185746_100000747405 [0,1,0,0,0,0|1,0,2]=4 2490 B8R0.19 C=CC(=O)CC(=O)OC 1458a_100000185746_100000747449 [0,1,0,0,0,0|0,0,3]=4 2491 B8R0.19 C=CC(=O)CC(C)CC 1458a_100000185746_100000748023 [0,1,0,0,0,0|1,0,1]=3 2492 B8R0.19 C=CC(=O)CC(O)CC 1458a_100000185746_100011218378 [0,1,0,0,0,0|1,0,1]=3 2493 B8R0.19 C=CC(=O)C[C@@H](C)CC 1458a_100000185746_100009816398 [0,1,0,0,0,0|1,0,1]=3 2494 B8R0.19 C=CC(=O)C[C@@H](C)CO 1458a_100000185746_100000059175 [0,1,0,0,0,0|2,0,1]=4 2495 B8R0.19 C=CC(=O)NC(C)CC 1626a_100000209981_100000185746 [0,1,0,0,0,0|2,0,1]=4 2496 B8R0.19 C=CC(=O)NC(C)CC 240690a_100000209981_200121576911 [0,1,0,0,0,0|2,0,1]=4 2497 B8R0.19 C=CC(C)CC(=O)CC 1458a_100011934298_100000210202 [0,1,0,0,0,0|1,0,2]=4 2498 B8R0.19 C=CC(C)CC(=O)NC 11a_106832991635_100011934298 [0,1,0,0,0,0|1,0,2]=4 2499 B8R0.19 C=CC(C)CC(=O)NC 1626a_100102657272_100011934298 [0,1,0,0,0,0|1,0,2]=4 2500 B8R0.19 C=CC(C)CC(=O)NC 240690a_100102657272_100011934298 [0,1,0,0,0,0|1,0,2]=4 2501 B8R0.19 C=CC(C)CC(=O)NC 527a_100102657272_100011934298 [0,1,0,0,0,0|1,0,2]=4 2502 B8R0.19 CCC(=CC(=O)NC)C 11a_106832991635_100020758463 [0,1,0,0,0,0|1,0,2]=4 2503 B8R0.19 CCC(=CC(=O)NC)C 1626a_100102657272_100020758463 [0,1,0,0,0,0|1,0,2]=4 2504 B8R0.19 CCC(=CC(=O)NC)C 240690a_100102657272_100020758463 [0,1,0,0,0,0|1,0,2]=4 2505 B8R0.19 CCC(=O)C=C(C)CC 1458a_100020758463_100000210202 [0,1,0,0,0,0|1,0,2]=4 2506 B8R0.19 CCC(=O)CC(=O)CC 1458a_100000210414_100000747405 [0,1,0,0,0,0|1,0,1]=3 2507 B8R0.19 CCC(=O)CC(=O)CO 1458a_100000210174_100000747405 [0,1,0,0,0,0|2,0,1]=4 2508 B8R0.19 CCC(=O)CC(=O)NC 1458a_100000210414_100000183359 [0,1,0,0,0,0|1,0,1]=3 2509 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000210414_100000747449 [0,1,0,0,0,0|0,0,1]=2 2510 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000211351_100000210202 [0,1,0,0,0,0|0,0,1]=2 2511 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [0,1,0,0,0,0|1,0,0]=2 2512 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [0,1,0,0,0,0|1,0,0]=2 2513 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [0,1,0,0,0,0|1,0,0]=2 2514 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [0,1,0,0,0,0|1,0,0]=2 2515 B8R0.19 CCC(=O)CN(C)CC 1458a_100116209913_100000210202 [0,1,0,0,0,0|2,0,0]=3 2516 B8R0.19 CCC(=O)CN(C)CC 269982a_100000225621_100000747405 [0,1,0,0,0,0|2,0,0]=3 2517 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [0,1,0,0,0,0|1,0,0]=2 2518 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [0,1,0,0,0,0|2,0,0]=3 2519 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [0,1,0,0,0,0|2,0,0]=3 2520 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [0,1,0,0,0,0|2,0,0]=3 2521 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [0,1,0,0,0,0|2,0,0]=3 2522 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [0,1,0,0,0,0|2,0,0]=3 2523 B8R0.19 CCC(=O)N[C@H](C)CF 11a_100102880703_100000210414 [0,1,0,0,0,0|3,0,0]=4 2524 B8R0.19 CCC(=O)N[C@H](C)CF 1626a_100102880703_100000210414 [0,1,0,0,0,0|3,0,0]=4 2525 B8R0.19 CCC(=O)N[C@H](C)CF 240690a_100102880703_100000210414 [0,1,0,0,0,0|3,0,0]=4 2526 B8R0.19 CCC(=O)N[C@H](C)CF 527a_100102880703_100000210414 [0,1,0,0,0,0|3,0,0]=4 2527 B8R0.19 CCC(=O)N[C@H](C)CO 240690a_100000737577_100000210414 [0,1,0,0,0,0|3,0,0]=4 2528 B8R0.19 CCC(=O)N[C@H](C)CO 527a_100000737577_100000210414 [0,1,0,0,0,0|3,0,0]=4 2529 B8R0.19 CCC(C)CC(=O)CF 1458a_100000708755_100015361967 [0,1,0,0,0,0|2,0,0]=3 2530 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [0,1,0,0,0,0|2,0,0]=3 2531 B8R0.19 CCC(C)CC(=O)NC 11a_106832991635_100000708755 [0,1,0,0,0,0|1,0,0]=2 2532 B8R0.19 CCC(C)CC(=O)NC 1626a_100102657272_100000708755 [0,1,0,0,0,0|1,0,0]=2 2533 B8R0.19 CCC(C)CC(=O)NC 240690a_100102657272_100000708755 [0,1,0,0,0,0|1,0,0]=2 2534 B8R0.19 CCC(C)CC(=O)NC 527a_100102657272_100000708755 [0,1,0,0,0,0|1,0,0]=2 2535 B8R0.19 CCC(C)CC(C)NC 2230a_100000763565_200000210301 [0,1,0,0,0,0|2,0,1]=4 2536 B8R0.19 CCC(C)CC(C)NC 270004a_106832991635_100011710205 [0,1,0,0,0,0|2,0,1]=4 2537 B8R0.19 CCC(C)CC(C)N[13CH3] 2230a_100000763565_200025704644 [0,1,0,0,0,0|2,0,1]=4 2538 B8R0.19 CCC(C)CN(C)CC 2230a_100000225621_100000748023 [0,1,0,0,0,0|3,0,0]=4 2539 B8R0.19 CCC(C)CN(C)CC 2230a_100000753921_100000210202 [0,1,0,0,0,0|3,0,0]=4 2540 B8R0.19 CCC(C)CN(C)CC 269982a_100000225621_100000748023 [0,1,0,0,0,0|3,0,0]=4 2541 B8R0.19 CCC(C)CN(C)CC 269982a_100000753921_100000204670 [0,1,0,0,0,0|3,0,0]=4 2542 B8R0.19 CCC(C)NC(=O)CO 240690a_100000209981_100000210174 [0,1,0,0,0,0|3,0,0]=4 2543 B8R0.19 CCC(C)NC(=O)CO 527a_100000209981_100000210174 [0,1,0,0,0,0|3,0,0]=4 2544 B8R0.19 CCC(C)NC(=O)NC 2708a_100000209981_106832991635 [0,1,0,0,0,0|2,0,0]=3 2545 B8R0.19 CCC(C)NC(=O)NC 2708a_100102657272_100000209981 [0,1,0,0,0,0|2,0,0]=3 2546 B8R0.19 CCC(C)NC(=O)NC 273464a_100000209981_100102657272 [0,1,0,0,0,0|2,0,0]=3 2547 B8R0.19 CCC(C)NC(=O)NC 273464a_100102657272_100000209981 [0,1,0,0,0,0|2,0,0]=3 2548 B8R0.19 CCC(C)NC(=O)NC 512a_100000209981_100102657272 [0,1,0,0,0,0|2,0,0]=3 2549 B8R0.19 CCC(C)NC(=O)NC 512a_106832991638_100000209981 [0,1,0,0,0,0|2,0,0]=3 2550 B8R0.19 CCC(C)SC(C)OC 62a_100000758301_100009879195 [0,1,0,0,0,0|2,0,1]=4 2551 B8R0.19 CCC(C)SC(C)OC 62a_100009879195_100000758301 [0,1,0,0,0,0|2,0,1]=4 2552 B8R0.19 CCC(O)CC(=O)CF 1458a_100011667805_100015361967 [0,1,0,0,0,0|2,0,0]=3 2553 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [0,1,0,0,0,0|2,0,0]=3 2554 B8R0.19 CCC(O)CC(=O)NC 1626a_100102657272_100011667805 [0,1,0,0,0,0|1,0,0]=2 2555 B8R0.19 CCC(O)CC(=O)NC 240690a_100102657272_100011667805 [0,1,0,0,0,0|1,0,0]=2 2556 B8R0.19 CCC(O)CN(C)CC 2230a_100000225621_100011218378 [0,1,0,0,0,0|3,0,0]=4 2557 B8R0.19 CCC(O)CN(C)CC 2230a_100011365200_200000210301 [0,1,0,0,0,0|3,0,0]=4 2558 B8R0.19 CCC(O)CN(C)CC 269982a_100000225621_100011218378 [0,1,0,0,0,0|3,0,0]=4 2559 B8R0.19 CCC(O)CN(C)CC 269982a_100011365200_200000210301 [0,1,0,0,0,0|3,0,0]=4 2560 B8R0.19 CCC(O)CN([13CH3])CC 2230a_100011365200_200025704644 [0,1,0,0,0,0|3,0,0]=4 2561 B8R0.19 CCC(O)CN([13CH3])CC 269982a_100011365200_200025704644 [0,1,0,0,0,0|3,0,0]=4 2562 B8R0.19 CCN(C)CC(=O)CF 1458a_100116209913_100015361967 [0,1,0,0,0,0|3,0,0]=4 2563 B8R0.19 CCN(C)CC(=O)NC 2230a_100000189611_100000210202 [0,1,0,0,0,0|2,0,0]=3 2564 B8R0.19 CCN(C)CC(=O)NC 2230a_100000225621_100000183359 [0,1,0,0,0,0|2,0,0]=3 2565 B8R0.19 CCN(C)CC(=O)NC 240690a_100102657272_100116209913 [0,1,0,0,0,0|2,0,0]=3 2566 B8R0.19 CCN(C)CC(=O)NC 269982a_100000225621_100000183359 [0,1,0,0,0,0|2,0,0]=3 2567 B8R0.19 CCN(C)CC(=O)NC 527a_100102657272_100116209913 [0,1,0,0,0,0|2,0,0]=3 2568 B8R0.19 CCN(C)CC(=O)OC 2230a_100000198492_100000210202 [0,1,0,0,0,0|1,0,0]=2 2569 B8R0.19 CCN(C)CC(=O)OC 2230a_100000225621_100000747449 [0,1,0,0,0,0|1,0,0]=2 2570 B8R0.19 CCN(C)CC(=O)OC 269982a_100000225621_100000747449 [0,1,0,0,0,0|1,0,0]=2 2571 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [0,1,0,0,0,0|2,0,0]=3 2572 B8R0.19 CC[C@H](C)CN(C)CC 2230a_100000225621_100009816398 [0,1,0,0,0,0|3,0,0]=4 2573 B8R0.19 CC[C@H](C)CN(C)CC 269982a_100000225621_100009816398 [0,1,0,0,0,0|3,0,0]=4 2574 B8R0.19 CNC(=O)CC(=O)CO 1458a_100000210174_100000183359 [0,1,0,0,0,0|2,0,1]=4 2575 B8R0.19 CNC(=O)CC(=O)OC 240690a_100102657272_100000211351 [0,1,0,0,0,0|1,0,1]=3 2576 B8R0.19 CNC(=O)N[C@H](C)CF 2708a_100102657272_100102880703 [0,1,0,0,0,0|3,0,0]=4 2577 B8R0.19 CNC(=O)N[C@H](C)CF 273464a_100102657272_100102880703 [0,1,0,0,0,0|3,0,0]=4 2578 B8R0.19 CNC(=O)N[C@H](C)CF 273464a_100102880703_100102657272 [0,1,0,0,0,0|3,0,0]=4 2579 B8R0.19 CNC(=O)N[C@H](C)CF 512a_100102880703_100102657272 [0,1,0,0,0,0|3,0,0]=4 2580 B8R0.19 CNC(=O)N[C@H](C)CF 512a_106832991638_100102880703 [0,1,0,0,0,0|3,0,0]=4 2581 B8R0.19 CNC(=O)N[C@H](C)CO 2708a_100102657272_100000737577 [0,1,0,0,0,0|3,0,0]=4 2582 B8R0.19 CNC(=O)N[C@H](C)CO 273464a_100000737577_100102657272 [0,1,0,0,0,0|3,0,0]=4 2583 B8R0.19 CNC(=O)N[C@H](C)CO 512a_100000737577_100102657272 [0,1,0,0,0,0|3,0,0]=4 2584 B8R0.19 CNC(=O)N[C@H](C)CO 512a_106832991638_100000737577 [0,1,0,0,0,0|3,0,0]=4 2585 B8R0.19 CNC(C)CC(=O)OC 2230a_106832991635_100009817358 [0,1,0,0,0,0|1,0,0]=2 2586 B8R0.19 CNC(C)CC(=O)OC 34a_100102657272_100009817358 [0,1,0,0,0,0|1,0,0]=2 2587 B8R0.19 CNC(C)CC(=O)OC 7a_106832991635_100009817358 [0,1,0,0,0,0|1,0,0]=2 2588 B8R0.19 COC(=O)CC(=O)CF 1458a_100000211351_100015361967 [0,1,0,0,0,0|1,0,1]=3 2589 B8R0.19 COC(=O)CC(=O)CO 1458a_100000210174_100000747449 [0,1,0,0,0,0|1,0,1]=3 2590 B8R0.19 COC(=O)CC(C)OC 34a_100138415774_100009817358 [0,1,0,0,0,0|1,0,0]=2 2591 B8R0.19 COC(=O)CC(C)SC 62a_100009817358_200000210301 [0,1,0,0,0,0|1,0,0]=2 2592 B8R0.19 COC(=O)CC(C)SC 62a_200000210301_100009817358 [0,1,0,0,0,0|1,0,0]=2 2593 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_100009817358_200025704644 [0,1,0,0,0,0|1,0,0]=2 2594 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_200025704644_100009817358 [0,1,0,0,0,0|1,0,0]=2 2595 B8R0.19 C[C@@H](CO)CC(=O)CO 1458a_100000210174_100000059175 [0,1,0,0,0,0|3,0,0]=4 2596 B8R0.25 CC(C)(CCCBr)O[13CH3] 7a_100009888830_200025704644 [0,1,0,0,0,0|2,0,1]=4 2597 B8R0.25 CCCCC(C)(C)OC 7a_100011219641_200000210301 [0,1,0,0,0,0|1,0,1]=3 2598 B8R0.25 CCCCC(C)(C)O[13CH3] 7a_100011219641_200025704644 [0,1,0,0,0,0|1,0,1]=3 2599 B8R0.25 CCCCS(=O)(=O)NC 270084a_100102657272_100000212082 [0,1,0,0,0,0|2,0,0]=3 2600 B8R0.25 CCCCS(=O)(=O)NC 274078a_100102657272_100000212082 [0,1,0,0,0,0|2,0,0]=3 2601 B8R0.25 CCCCS(=O)(=O)NC 40a_100102657272_100000054263 [0,1,0,0,0,0|2,0,0]=3 2602 B8R0.25 CCCNS(=O)(=O)CC 270084a_100020643023_100000211323 [0,1,0,0,0,0|3,0,0]=4 2603 B8R0.25 CCCNS(=O)(=O)CC 274078a_100020643023_100000211323 [0,1,0,0,0,0|3,0,0]=4 2604 B8R0.25 CCCNS(=O)(=O)CC 40a_100020643023_100000053943 [0,1,0,0,0,0|3,0,0]=4 2605 B8R0.25 CCNCC(C)(C)OC 2230a_100000763424_100000210202 [0,1,0,0,0,0|2,0,1]=4 2606 B8R0.25 CCOCC(C)(C)OC 34a_100121572206_100000701081 [0,1,0,0,0,0|2,0,1]=4 2607 B8R0.25 CCS(=O)(=O)CCNC 2230a_100000751051_200000210301 [0,1,0,0,0,0|3,0,0]=4 2608 B8R0.25 CCS(=O)(=O)CCNC 2230a_106832991635_100000756660 [0,1,0,0,0,0|3,0,0]=4 2609 B8R0.25 CCS(=O)(=O)CCNC 34a_100000751051_200000210301 [0,1,0,0,0,0|3,0,0]=4 2610 B8R0.25 CCS(=O)(=O)CCNC 34a_100102657272_100000756660 [0,1,0,0,0,0|3,0,0]=4 2611 B8R0.25 CCS(=O)(=O)CCNC 7a_106832991635_100000756660 [0,1,0,0,0,0|3,0,0]=4 2612 B8R0.25 CCS(=O)(=O)CCN[13CH3] 2230a_100000751051_200025704644 [0,1,0,0,0,0|3,0,0]=4 2613 B8R0.25 CCS(=O)(=O)CCN[13CH3] 34a_100000751051_200025704644 [0,1,0,0,0,0|3,0,0]=4 2614 B8R0.25 CCS(=O)(=O)CCOC 34a_100138415774_100000756660 [0,1,0,0,0,0|3,0,0]=4 2615 B8R0.25 CCS(=O)(=O)CCOC 34a_200011216379_200000210301 [0,1,0,0,0,0|3,0,0]=4 2616 B8R0.25 CCS(=O)(=O)CCOC 7a_200011216379_200000210301 [0,1,0,0,0,0|3,0,0]=4 2617 B8R0.25 CCS(=O)(=O)CCO[13CH3] 34a_200011216379_200025704644 [0,1,0,0,0,0|3,0,0]=4 2618 B8R0.25 CCS(=O)(=O)CCO[13CH3] 7a_200011216379_200025704644 [0,1,0,0,0,0|3,0,0]=4 2619 B8R0.25 CCS(=O)(=O)CCSC 62a_100000756660_200000210301 [0,1,0,0,0,0|3,0,0]=4 2620 B8R0.25 CCS(=O)(=O)CCSC 62a_200000210301_100000756660 [0,1,0,0,0,0|3,0,0]=4 2621 B8R0.25 CCS(=O)(=O)CCS[13CH3] 62a_100000756660_200025704644 [0,1,0,0,0,0|3,0,0]=4 2622 B8R0.25 CCS(=O)(=O)CCS[13CH3] 62a_200025704644_100000756660 [0,1,0,0,0,0|3,0,0]=4 2623 B8R0.25 CCSCC(C)(C)OC 62a_100000210202_100000701081 [0,1,0,0,0,0|2,0,1]=4 2624 B8R0.25 CCSCC(C)(C)OC 62a_100000701081_100000210202 [0,1,0,0,0,0|2,0,1]=4 2625 B8R0.25 CNCCS(=O)(=O)NC 2230a_100000710037_200000210301 [0,1,0,0,0,0|3,0,0]=4 2626 B8R0.25 CNCCS(=O)(=O)NC 34a_100000710037_200000210301 [0,1,0,0,0,0|3,0,0]=4 2627 B8R0.25 CNS(=O)(=O)CCCCl 270084a_100102657272_100000211827 [0,1,0,0,0,0|3,0,0]=4 2628 B8R0.25 CNS(=O)(=O)CCCF 270084a_100102657272_200000759752 [0,1,0,0,0,0|3,0,0]=4 2629 B8R0.25 CNS(=O)(=O)CCCF 274078a_100102657272_200000759752 [0,1,0,0,0,0|3,0,0]=4 2630 B8R0.25 CNS(=O)(=O)CCN[13CH3] 2230a_100000710037_200025704644 [0,1,0,0,0,0|3,0,0]=4 2631 B8R0.25 CNS(=O)(=O)CCN[13CH3] 34a_100000710037_200025704644 [0,1,0,0,0,0|3,0,0]=4 2632 B8R0.25 CNS(=O)(=O)CCOC 270084a_100102657272_100000745348 [0,1,0,0,0,0|3,0,0]=4 2633 B8R0.25 CNS(=O)(=O)CCOC 274078a_100102657272_100000745348 [0,1,0,0,0,0|3,0,0]=4 2634 B8R0.25 COC(C)(C)CCCBr 7a_100009888830_200000210301 [0,1,0,0,0,0|2,0,1]=4 2635 B8R0.25 COC(C)(C)CCO[13CH3] 7a_100000699976_200025704644 [0,1,0,0,0,0|2,0,1]=4 2636 B8R0.25 COCCC(C)(C)OC 7a_100000699976_200000210301 [0,1,0,0,0,0|2,0,1]=4 2637 B8R1.1 CC1CCC(C1)O[13CH3] 34a_100000698185_200025704644 [0,0,0,1,0,0|1,0,1]=3 2638 B8R1.1 CCN1CC[C@H](C1)C 2230a_100016987628_100000210202 [0,0,0,1,0,0|3,0,0]=4 2639 B8R1.1 CCN1CC[C@H](C1)C 269982a_100016987628_100000204670 [0,0,0,1,0,0|3,0,0]=4 2640 B8R1.1 CCN1CC[C@H](C1)C 34a_100016987628_100000210202 [0,0,0,1,0,0|3,0,0]=4 2641 B8R1.1 CCN1CNC(=O)C1 2230a_200000708111_100000210202 [0,0,0,1,0,0|2,0,0]=3 2642 B8R1.1 CNC1CCC(C1)C 270004a_106832991635_100011215218 [0,0,0,1,0,0|2,0,1]=4 2643 B8R1.1 CNC1CNC(=O)C1 2230a_100000697751_200000210301 [0,0,0,1,0,0|2,0,0]=3 2644 B8R1.1 CNC1COC(=O)O1 34a_100102657272_100000032252 [0,0,0,1,0,0|2,0,0]=3 2645 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [0,0,0,1,0,0|2,0,0]=3 2646 B8R1.1 COC1CCC(C1)C 34a_100000698185_200000210301 [0,0,0,1,0,0|1,0,1]=3 2647 B8R1.1 COC1CNC(=O)C1 34a_100000690082_200000210301 [0,0,0,1,0,0|2,0,0]=3 2648 B8R1.1 COC1COC(=O)O1 34a_100138415774_100000032252 [0,0,0,1,0,0|2,0,0]=3 2649 B8R1.1 CO[C@@H]1CCN(C1)C 2230a_100000766984_200000210301 [0,0,0,1,0,0|2,0,1]=4 2650 B8R1.1 CO[C@@H]1CCN(C1)C 269982a_100000766984_200000210301 [0,0,0,1,0,0|2,0,1]=4 2651 B8R1.1 CO[C@@H]1CCN(C1)[13CH3] 2230a_100000766984_200025704644 [0,0,0,1,0,0|2,0,1]=4 2652 B8R1.1 CO[C@@H]1CCN(C1)[13CH3] 269982a_100000766984_200025704644 [0,0,0,1,0,0|2,0,1]=4 2653 B8R1.1 CSC1COC(=O)O1 62a_200000210301_100000032252 [0,0,0,1,0,0|2,0,0]=3 2654 B8R1.1 [13CH3]NC1CNC(=O)C1 2230a_100000697751_200025704644 [0,0,0,1,0,0|2,0,0]=3 2655 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [0,0,0,1,0,0|2,0,0]=3 2656 B8R1.1 [13CH3]OC1CNC(=O)C1 34a_100000690082_200025704644 [0,0,0,1,0,0|2,0,0]=3 2657 B8R1.1 [13CH3]SC1COC(=O)O1 62a_200025704644_100000032252 [0,0,0,1,0,0|2,0,0]=3 2658 B8R1.2 CNC1CCCCC1 2230a_100000182618_200000210301 [0,0,0,1,0,0|2,0,1]=4 2659 B8R1.2 CNC1CCCCC1 270004a_106832991635_100000210434 [0,0,0,1,0,0|2,0,1]=4 2660 B8R1.2 CNC1CCCCC1 34a_100000182618_200000210301 [0,0,0,1,0,0|2,0,1]=4 2661 B8R1.2 CNC1CCCCC1 34a_100102657272_100000210327 [0,0,0,1,0,0|2,0,1]=4 2662 B8R1.2 CNC1CCCCC1 7a_106832991635_100000210327 [0,0,0,1,0,0|2,0,1]=4 2663 B8R1.2 COC1C=CCCC1 34a_100011215024_200000210301 [0,0,0,1,0,0|1,0,2]=4 2664 B8R1.2 COC1CCCCC1 34a_100000210231_200000210301 [0,0,0,1,0,0|1,0,1]=3 2665 B8R1.2 COC1CCCCC1 34a_100138415774_100000210327 [0,0,0,1,0,0|1,0,1]=3 2666 B8R1.2 COC1CCCCC1 7a_100000210231_200000210301 [0,0,0,1,0,0|1,0,1]=3 2667 B8R1.2 COC1CCCCO1 34a_100000033831_200000210301 [0,0,0,1,0,0|0,0,2]=3 2668 B8R1.2 COC1CCCOC1 34a_100000754041_200000210301 [0,0,0,1,0,0|2,0,1]=4 2669 B8R1.2 COC1CCCOC1 34a_100138415774_100000693364 [0,0,0,1,0,0|2,0,1]=4 2670 B8R1.2 COC1CCCSC1 7a_100015962668_200000210301 [0,0,0,1,0,0|2,0,1]=4 2671 B8R1.2 COC1CCOCC1 34a_100000744328_200000210301 [0,0,0,1,0,0|2,0,1]=4 2672 B8R1.2 COC1CCSCC1 34a_100000731022_200000210301 [0,0,0,1,0,0|2,0,1]=4 2673 B8R1.2 COC1CCSCC1 34a_100138415774_100000069128 [0,0,0,1,0,0|2,0,1]=4 2674 B8R1.2 COC1CCSCC1 7a_100000731022_200000210301 [0,0,0,1,0,0|2,0,1]=4 2675 B8R1.2 CSC1CCCCC1 62a_100000210327_200000210301 [0,0,0,1,0,0|1,1,1]=4 2676 B8R1.2 CSC1CCCCC1 62a_200000210301_100000210327 [0,0,0,1,0,0|1,1,1]=4 2677 B8R1.2 [13CH3]NC1CCCCC1 2230a_100000182618_200025704644 [0,0,0,1,0,0|2,0,1]=4 2678 B8R1.2 [13CH3]NC1CCCCC1 34a_100000182618_200025704644 [0,0,0,1,0,0|2,0,1]=4 2679 B8R1.2 [13CH3]OC1C=CCCC1 34a_100011215024_200025704644 [0,0,0,1,0,0|1,0,2]=4 2680 B8R1.2 [13CH3]OC1CCCCC1 34a_100000210231_200025704644 [0,0,0,1,0,0|1,0,1]=3 2681 B8R1.2 [13CH3]OC1CCCCC1 7a_100000210231_200025704644 [0,0,0,1,0,0|1,0,1]=3 2682 B8R1.2 [13CH3]OC1CCCCO1 34a_100000033831_200025704644 [0,0,0,1,0,0|0,0,2]=3 2683 B8R1.2 [13CH3]OC1CCCOC1 34a_100000754041_200025704644 [0,0,0,1,0,0|2,0,1]=4 2684 B8R1.2 [13CH3]OC1CCCSC1 7a_100015962668_200025704644 [0,0,0,1,0,0|2,0,1]=4 2685 B8R1.2 [13CH3]OC1CCOCC1 34a_100000744328_200025704644 [0,0,0,1,0,0|2,0,1]=4 2686 B8R1.2 [13CH3]OC1CCSCC1 34a_100000731022_200025704644 [0,0,0,1,0,0|2,0,1]=4 2687 B8R1.2 [13CH3]OC1CCSCC1 7a_100000731022_200025704644 [0,0,0,1,0,0|2,0,1]=4 2688 B8R1.2 [13CH3]SC1CCCCC1 62a_100000210327_200025704644 [0,0,0,1,0,0|1,1,1]=4 2689 B8R1.2 [13CH3]SC1CCCCC1 62a_200025704644_100000210327 [0,0,0,1,0,0|1,1,1]=4 2690 B8R1.3 C=C1CCN(CC1)C 2230a_100000752442_200000210301 [0,0,0,1,0,0|3,0,0]=4 2691 B8R1.3 C=C1CCN(CC1)C 269982a_100000752442_200000210301 [0,0,0,1,0,0|3,0,0]=4 2692 B8R1.3 C=C1CCN(CC1)C 34a_100000752442_200000210301 [0,0,0,1,0,0|3,0,0]=4 2693 B8R1.3 C=C1CCN(CC1)[13CH3] 2230a_100000752442_200025704644 [0,0,0,1,0,0|3,0,0]=4 2694 B8R1.3 C=C1CCN(CC1)[13CH3] 269982a_100000752442_200025704644 [0,0,0,1,0,0|3,0,0]=4 2695 B8R1.3 C=C1CCN(CC1)[13CH3] 34a_100000752442_200025704644 [0,0,0,1,0,0|3,0,0]=4 2696 B8R1.3 CC1=CCN(CC1)C 2230a_100000693516_200000210301 [0,0,0,1,0,0|3,0,0]=4 2697 B8R1.3 CC1=CCN(CC1)C 269982a_100000693516_200000210301 [0,0,0,1,0,0|3,0,0]=4 2698 B8R1.3 CC1=CCN(CC1)C 34a_100000693516_200000210301 [0,0,0,1,0,0|3,0,0]=4 2699 B8R1.3 CC1=CCN(CC1)[13CH3] 2230a_100000693516_200025704644 [0,0,0,1,0,0|3,0,0]=4 2700 B8R1.3 CC1=CCN(CC1)[13CH3] 269982a_100000693516_200025704644 [0,0,0,1,0,0|3,0,0]=4 2701 B8R1.3 CC1=CCN(CC1)[13CH3] 34a_100000693516_200025704644 [0,0,0,1,0,0|3,0,0]=4 2702 B8R1.3 CC1CCN(CC1)C 2230a_100000188429_200000210301 [0,0,0,1,0,0|3,0,0]=4 2703 B8R1.3 CC1CCN(CC1)C 269982a_100000188429_200000210301 [0,0,0,1,0,0|3,0,0]=4 2704 B8R1.3 CC1CCN(CC1)C 34a_100000188429_200000210301 [0,0,0,1,0,0|3,0,0]=4 2705 B8R1.3 CC1CCN(CC1)[13CH3] 2230a_100000188429_200025704644 [0,0,0,1,0,0|3,0,0]=4 2706 B8R1.3 CC1CCN(CC1)[13CH3] 269982a_100000188429_200025704644 [0,0,0,1,0,0|3,0,0]=4 2707 B8R1.3 CC1CCN(CC1)[13CH3] 34a_100000188429_200025704644 [0,0,0,1,0,0|3,0,0]=4 2708 B8R1.3 CN1CCS(=O)CC1 2230a_100000752083_200000210301 [0,0,0,1,0,0|3,0,0]=4 2709 B8R1.3 CN1CCS(=O)CC1 269982a_100000752083_200000210301 [0,0,0,1,0,0|3,0,0]=4 2710 B8R1.3 [13CH3]N1CCS(=O)CC1 2230a_100000752083_200025704644 [0,0,0,1,0,0|3,0,0]=4 2711 B8R1.3 [13CH3]N1CCS(=O)CC1 269982a_100000752083_200025704644 [0,0,0,1,0,0|3,0,0]=4 2712 B8R1.5 CC1CCCCN1C 2230a_100000211376_200000210301 [0,0,0,1,0,0|2,0,1]=4 2713 B8R1.5 CC1CCCCN1C 269982a_100000211376_200000210301 [0,0,0,1,0,0|2,0,1]=4 2714 B8R1.5 CC1CCCCN1C 34a_100000211376_200000210301 [0,0,0,1,0,0|2,0,1]=4 2715 B8R1.5 CC1CCCCN1[13CH3] 2230a_100000211376_200025704644 [0,0,0,1,0,0|2,0,1]=4 2716 B8R1.5 CC1CCCCN1[13CH3] 269982a_100000211376_200025704644 [0,0,0,1,0,0|2,0,1]=4 2717 B8R1.5 CC1CCCCN1[13CH3] 34a_100000211376_200025704644 [0,0,0,1,0,0|2,0,1]=4 2718 B8R1.10 CCCCN1CCC1 269982a_100000754969_100000210211 [0,0,0,1,0,0|3,0,0]=4 2719 B8R1.10 CCNCC1CCO1 2230a_100015525214_100000103362 [0,0,0,1,0,0|2,0,1]=4 2720 B8R1.10 CCNC[C@@H]1CCO1 2230a_100020831831_100000210202 [0,0,0,1,0,0|2,0,1]=4 2721 B8R1.10 CCNC[C@@H]1CCO1 34a_100020831831_100000210202 [0,0,0,1,0,0|2,0,1]=4 2722 B8R1.10 CCOCC1CCO1 34a_100000039022_100000210202 [0,0,0,1,0,0|2,0,1]=4 2723 B8R1.10 CCOCC1CCO1 34a_100121572206_100000103362 [0,0,0,1,0,0|2,0,1]=4 2724 B8R1.10 CCSCC1CCO1 62a_100000103362_100000210202 [0,0,0,1,0,0|2,0,1]=4 2725 B8R1.10 CCSCC1CCO1 62a_100000210202_100000103362 [0,0,0,1,0,0|2,0,1]=4 2726 B8R1.13 CCOC1CCC1=O 34a_100121572206_100009892977 [0,0,0,1,0,0|2,0,0]=3 2727 B8R1.13 CCSC1CCC1=O 62a_100000210202_100009892977 [0,0,0,1,0,0|2,0,0]=3 2728 B8R1.13 CCSC1CCC1=O 62a_100009892977_100000210202 [0,0,0,1,0,0|2,0,0]=3 2729 B8R1.13 O=C1CCC1SCF 62a_100009892977_100015361967 [0,0,0,1,0,0|3,0,0]=4 2730 B8R1.13 O=C1CCC1SCF 62a_100015361967_100009892977 [0,0,0,1,0,0|3,0,0]=4 2731 B8R1.22 CN1CCCCCC1 2230a_100000185865_200000210301 [0,0,0,1,0,0|3,0,0]=4 2732 B8R1.22 CN1CCCCCC1 269982a_100000185865_200000210301 [0,0,0,1,0,0|3,0,0]=4 2733 B8R1.22 CN1CCCCCC1 34a_100000185865_200000210301 [0,0,0,1,0,0|3,0,0]=4 2734 B8R1.22 [13CH3]N1CCCCCC1 2230a_100000185865_200025704644 [0,0,0,1,0,0|3,0,0]=4 2735 B8R1.22 [13CH3]N1CCCCCC1 269982a_100000185865_200025704644 [0,0,0,1,0,0|3,0,0]=4 2736 B8R1.22 [13CH3]N1CCCCCC1 34a_100000185865_200025704644 [0,0,0,1,0,0|3,0,0]=4 2737 B8R1.38 C#CC(=O)C1CCC1 1458a_100000211873_100000749161 [0,0,0,1,0,0|1,0,1]=3 2738 B8R1.38 C#CC(=O)C1COC1 1458a_100000211873_100000687716 [0,0,0,1,0,0|2,0,1]=4 2739 B8R1.38 C=CC(=O)C1CCC1 1458a_100000185746_100000749161 [0,0,0,1,0,0|1,0,1]=3 2740 B8R1.38 C=CC(=O)C1COC1 1458a_100000185746_100000687716 [0,0,0,1,0,0|2,0,1]=4 2741 B8R1.38 C=CC(=O)N1CCC1 240690a_100000754969_200121576911 [0,0,0,1,0,0|2,0,1]=4 2742 B8R1.38 CC(N[13CH3])C1CCC1 2230a_100016994624_200025704644 [0,0,0,1,0,0|2,0,1]=4 2743 B8R1.38 CC(N[13CH3])C1CCC1 34a_100016994624_200025704644 [0,0,0,1,0,0|2,0,1]=4 2744 B8R1.38 CC(O[13CH3])C1CCC1 34a_100000766398_200025704644 [0,0,0,1,0,0|1,0,1]=3 2745 B8R1.38 CC(O[13CH3])C1CCC1 7a_100000766398_200025704644 [0,0,0,1,0,0|1,0,1]=3 2746 B8R1.38 CCC(=O)C1CCC1 1458a_100000209988_100000210202 [0,0,0,1,0,0|1,0,0]=2 2747 B8R1.38 CCC(=O)C1CCC1 1458a_100000210414_100000749161 [0,0,0,1,0,0|1,0,0]=2 2748 B8R1.38 CCC(=O)C1CCO1 1458a_100000089072_100000210202 [0,0,0,1,0,0|2,0,0]=3 2749 B8R1.38 CCC(=O)C1COC1 1458a_100000210414_100000687716 [0,0,0,1,0,0|2,0,0]=3 2750 B8R1.38 CCC(=O)C1COC1 1458a_100000758290_100000210202 [0,0,0,1,0,0|2,0,0]=3 2751 B8R1.38 CCC(=O)N1CCC1 11a_100000754969_100000210414 [0,0,0,1,0,0|2,0,0]=3 2752 B8R1.38 CCC(=O)N1CCC1 240690a_100000754969_100000210414 [0,0,0,1,0,0|2,0,0]=3 2753 B8R1.38 CCC(=O)N1CCC1 527a_100000754969_100000210414 [0,0,0,1,0,0|2,0,0]=3 2754 B8R1.38 CCN(C)C1CCC1 2230a_100000758072_100000210202 [0,0,0,1,0,0|3,0,0]=4 2755 B8R1.38 CCN(C)C1CCC1 2230a_100000758130_200000210301 [0,0,0,1,0,0|3,0,0]=4 2756 B8R1.38 CCN(C)C1CCC1 269982a_100000225621_100000749161 [0,0,0,1,0,0|3,0,0]=4 2757 B8R1.38 CCN(C)C1CCC1 269982a_100000758072_100000204670 [0,0,0,1,0,0|3,0,0]=4 2758 B8R1.38 CCN(C)C1CCC1 269982a_100000758130_200000210301 [0,0,0,1,0,0|3,0,0]=4 2759 B8R1.38 CCN(C)C1CCC1 34a_100000758072_100000210202 [0,0,0,1,0,0|3,0,0]=4 2760 B8R1.38 CCN([13CH3])C1CCC1 2230a_100000758130_200025704644 [0,0,0,1,0,0|3,0,0]=4 2761 B8R1.38 CCN([13CH3])C1CCC1 269982a_100000758130_200025704644 [0,0,0,1,0,0|3,0,0]=4 2762 B8R1.38 CNC(=O)C1CCC1 11a_106832991635_100000209988 [0,0,0,1,0,0|1,0,0]=2 2763 B8R1.38 CNC(=O)C1CCC1 1626a_100102657272_100000209988 [0,0,0,1,0,0|1,0,0]=2 2764 B8R1.38 CNC(=O)C1CCC1 240690a_100102657272_100000209988 [0,0,0,1,0,0|1,0,0]=2 2765 B8R1.38 CNC(=O)C1CCC1 527a_100102657272_100000209988 [0,0,0,1,0,0|1,0,0]=2 2766 B8R1.38 CNC(=O)C1CCO1 11a_106832991635_100000089072 [0,0,0,1,0,0|2,0,0]=3 2767 B8R1.38 CNC(=O)C1CCO1 1626a_100102657272_100000089072 [0,0,0,1,0,0|2,0,0]=3 2768 B8R1.38 CNC(=O)C1CCO1 240690a_100102657272_100000089072 [0,0,0,1,0,0|2,0,0]=3 2769 B8R1.38 CNC(=O)C1CCO1 527a_100102657272_100000089072 [0,0,0,1,0,0|2,0,0]=3 2770 B8R1.38 CNC(=O)C1COC1 11a_106832991635_100000758290 [0,0,0,1,0,0|2,0,0]=3 2771 B8R1.38 CNC(=O)C1COC1 1626a_100102657272_100000758290 [0,0,0,1,0,0|2,0,0]=3 2772 B8R1.38 CNC(=O)C1COC1 240690a_100102657272_100000758290 [0,0,0,1,0,0|2,0,0]=3 2773 B8R1.38 CNC(=O)C1COC1 527a_100102657272_100000758290 [0,0,0,1,0,0|2,0,0]=3 2774 B8R1.38 CNC(=O)N1CCC1 2708a_100102657272_100000754969 [0,0,0,1,0,0|2,0,0]=3 2775 B8R1.38 CNC(=O)N1CCC1 273464a_100102657272_100000754969 [0,0,0,1,0,0|2,0,0]=3 2776 B8R1.38 CNC(C)C1CCC1 2230a_100016994624_200000210301 [0,0,0,1,0,0|2,0,1]=4 2777 B8R1.38 CNC(C)C1CCC1 269862a_106832991636_100000760154 [0,0,0,1,0,0|2,0,1]=4 2778 B8R1.38 CNC(C)C1CCC1 34a_100016994624_200000210301 [0,0,0,1,0,0|2,0,1]=4 2779 B8R1.38 COC(C)C1CCC1 34a_100000766398_200000210301 [0,0,0,1,0,0|1,0,1]=3 2780 B8R1.38 COC(C)C1CCC1 7a_100000766398_200000210301 [0,0,0,1,0,0|1,0,1]=3 2781 B8R1.38 COC(C)N1CCC1 269982a_100000754969_100009879195 [0,0,0,1,0,0|2,0,1]=4 2782 B8R1.38 O=C(CF)C1CCC1 1458a_100000209988_100015361967 [0,0,0,1,0,0|2,0,0]=3 2783 B8R1.38 O=C(CF)C1CCO1 1458a_100000089072_100015361967 [0,0,0,1,0,0|3,0,0]=4 2784 B8R1.38 O=C(CF)C1COC1 1458a_100000758290_100015361967 [0,0,0,1,0,0|3,0,0]=4 2785 B8R1.38 O=C(CO)C1CCC1 1458a_100000210174_100000749161 [0,0,0,1,0,0|2,0,0]=3 2786 B8R1.38 O=C(CO)C1COC1 1458a_100000210174_100000687716 [0,0,0,1,0,0|3,0,0]=4 2787 B8R1.38 O=C(CO)N1CCC1 240690a_100000754969_100000210174 [0,0,0,1,0,0|3,0,0]=4 2788 B8R1.38 O=C(CO)N1CCC1 527a_100000754969_100000210174 [0,0,0,1,0,0|3,0,0]=4 2789 B8R1.40 C#CC(=O)CC1CC1 1458a_100000211873_100000742324 [0,0,0,1,0,0|1,0,1]=3 2790 B8R1.40 C#CC(=O)CC1CO1 1458a_100000211873_100011216344 [0,0,0,1,0,0|2,0,1]=4 2791 B8R1.40 C#CC(=O)CC1CS1 1458a_100000211873_100000031435 [0,0,0,1,0,0|2,0,1]=4 2792 B8R1.40 C#CC(=O)C[C@@H]1CO1 1458a_100000211873_100000745022 [0,0,0,1,0,0|2,0,1]=4 2793 B8R1.40 C=CC(=O)CC1CC1 1458a_100000185746_100000742324 [0,0,0,1,0,0|1,0,1]=3 2794 B8R1.40 C=CC(=O)CC1CO1 1458a_100000185746_100011216344 [0,0,0,1,0,0|2,0,1]=4 2795 B8R1.40 C=CC(=O)CC1CS1 1458a_100000185746_100000031435 [0,0,0,1,0,0|2,0,1]=4 2796 B8R1.40 C=CC(=O)C[C@@H]1CO1 1458a_100000185746_100000745022 [0,0,0,1,0,0|2,0,1]=4 2797 B8R1.40 C=CC(=O)NC1CC1 1626a_100000212008_100000185746 [0,0,0,1,0,0|2,0,1]=4 2798 B8R1.40 C=CC(=O)NC1CC1 240690a_100000212008_200121576911 [0,0,0,1,0,0|2,0,1]=4 2799 B8R1.40 CCC(=O)CC1CC1 1458a_100000210414_100000742324 [0,0,0,1,0,0|1,0,0]=2 2800 B8R1.40 CCC(=O)CC1CC1 1458a_100000738066_100000210202 [0,0,0,1,0,0|1,0,0]=2 2801 B8R1.40 CCC(=O)CC1CO1 1458a_100000210414_100011216344 [0,0,0,1,0,0|2,0,0]=3 2802 B8R1.40 CCC(=O)CC1CS1 1458a_100000210414_100000031435 [0,0,0,1,0,0|2,0,0]=3 2803 B8R1.40 CCC(=O)C[C@@H]1CO1 1458a_100000210414_100000745022 [0,0,0,1,0,0|2,0,0]=3 2804 B8R1.40 CCC(=O)NC1CC1 1626a_100000212008_100000210414 [0,0,0,1,0,0|2,0,0]=3 2805 B8R1.40 CCC(=O)NC1CC1 240690a_100000212008_100000210414 [0,0,0,1,0,0|2,0,0]=3 2806 B8R1.40 CCC(=O)NC1CC1 527a_100000212008_100000210414 [0,0,0,1,0,0|2,0,0]=3 2807 B8R1.40 CCN(C)CC1CC1 2230a_100000225621_100000742324 [0,0,0,1,0,0|3,0,0]=4 2808 B8R1.40 CCN(C)CC1CC1 2230a_100000741881_100000210202 [0,0,0,1,0,0|3,0,0]=4 2809 B8R1.40 CCN(C)CC1CC1 269982a_100000225621_100000756562 [0,0,0,1,0,0|3,0,0]=4 2810 B8R1.40 CCN(C)CC1CC1 269982a_100000741881_100000204670 [0,0,0,1,0,0|3,0,0]=4 2811 B8R1.40 CNC(=O)CC1CC1 11a_106832991635_100000738066 [0,0,0,1,0,0|1,0,0]=2 2812 B8R1.40 CNC(=O)CC1CC1 1626a_100102657272_100000738066 [0,0,0,1,0,0|1,0,0]=2 2813 B8R1.40 CNC(=O)CC1CC1 240690a_100102657272_100000738066 [0,0,0,1,0,0|1,0,0]=2 2814 B8R1.40 CNC(=O)CC1CC1 527a_100102657272_100000738066 [0,0,0,1,0,0|1,0,0]=2 2815 B8R1.40 CNC(=O)NC1CC1 2708a_100000212008_106832991635 [0,0,0,1,0,0|2,0,0]=3 2816 B8R1.40 CNC(=O)NC1CC1 2708a_100102657272_100000212008 [0,0,0,1,0,0|2,0,0]=3 2817 B8R1.40 CNC(=O)NC1CC1 273464a_100000212008_100102657272 [0,0,0,1,0,0|2,0,0]=3 2818 B8R1.40 CNC(=O)NC1CC1 273464a_100102657272_100000212008 [0,0,0,1,0,0|2,0,0]=3 2819 B8R1.40 CNC(=O)NC1CC1 512a_100000212008_100102657272 [0,0,0,1,0,0|2,0,0]=3 2820 B8R1.40 CNC(C)CC1CC1 270004a_106832991635_200000686933 [0,0,0,1,0,0|2,0,1]=4 2821 B8R1.40 COC(C)SC1CC1 62a_100009879195_100000211595 [0,0,0,1,0,0|2,0,1]=4 2822 B8R1.40 O=C(CF)CC1CC1 1458a_100000738066_100015361967 [0,0,0,1,0,0|2,0,0]=3 2823 B8R1.40 O=C(CO)CC1CC1 1458a_100000210174_100000742324 [0,0,0,1,0,0|2,0,0]=3 2824 B8R1.40 O=C(CO)CC1CO1 1458a_100000210174_100011216344 [0,0,0,1,0,0|3,0,0]=4 2825 B8R1.40 O=C(CO)CC1CS1 1458a_100000210174_100000031435 [0,0,0,1,0,0|3,0,0]=4 2826 B8R1.40 O=C(CO)C[C@@H]1CO1 1458a_100000210174_100000745022 [0,0,0,1,0,0|3,0,0]=4 2827 B8R1.40 O=C(CO)NC1CC1 240690a_100000212008_100000210174 [0,0,0,1,0,0|3,0,0]=4 2828 B8R1.40 O=C(CO)NC1CC1 527a_100000212008_100000210174 [0,0,0,1,0,0|3,0,0]=4 2829 B8R1.41 CCOCC1(CO1)C 34a_100121572206_100000760498 [0,0,0,1,0,0|2,0,1]=4 2830 B8R1.41 CCSCC1(CO1)C 62a_100000210202_100000760498 [0,0,0,1,0,0|2,0,1]=4 2831 B8R1.41 CCSCC1(CO1)C 62a_100000760498_100000210202 [0,0,0,1,0,0|2,0,1]=4 2832 B8R1.47 CCC1CN(C1)CC 2230a_100015205115_100000210202 [0,0,0,1,0,0|3,0,0]=4 2833 B8R1.47 CCC1CN(C1)CC 269982a_100015205115_100000204670 [0,0,0,1,0,0|3,0,0]=4 2834 B8R1.47 CCN1CC(C1)OC 269982a_100000755009_100000204670 [0,0,0,1,0,0|2,0,1]=4 2835 B8R1.47 CN[C@H]1C[C@@H](C1)OC 2230a_100121570643_200000210301 [0,0,0,1,0,0|2,0,1]=4 2836 B8R1.47 CO[C@H]1C[C@@H](C1)N[13CH3] 2230a_100121570643_200025704644 [0,0,0,1,0,0|2,0,1]=4 2837 B8R1.50 CC1CCC(N1C)C 2230a_100000687148_200000210301 [0,0,0,1,0,0|2,0,1]=4 2838 B8R1.50 CC1CCC(N1C)C 269982a_100000687148_200000210301 [0,0,0,1,0,0|2,0,1]=4 2839 B8R1.50 CC1CCC(N1C)C 34a_100000687148_200000210301 [0,0,0,1,0,0|2,0,1]=4 2840 B8R1.50 CC1CCC(N1[13CH3])C 2230a_100000687148_200025704644 [0,0,0,1,0,0|2,0,1]=4 2841 B8R1.50 CC1CCC(N1[13CH3])C 269982a_100000687148_200025704644 [0,0,0,1,0,0|2,0,1]=4 2842 B8R1.50 CC1CCC(N1[13CH3])C 34a_100000687148_200025704644 [0,0,0,1,0,0|2,0,1]=4 2843 B8R1.52 CC1(CCCC1)O[13CH3] 34a_100000751722_200025704644 [0,0,0,1,0,0|1,0,1]=3 2844 B8R1.52 CC1(CCCC1)O[13CH3] 7a_100000751722_200025704644 [0,0,0,1,0,0|1,0,1]=3 2845 B8R1.52 COC1(CCCC1)C 34a_100000751722_200000210301 [0,0,0,1,0,0|1,0,1]=3 2846 B8R1.52 COC1(CCCC1)C 7a_100000751722_200000210301 [0,0,0,1,0,0|1,0,1]=3 2847 B8R1.83 CC1CC1C(=O)CF 1458a_100000211227_100015361967 [0,0,0,1,0,0|2,0,0]=3 2848 B8R1.83 CCC(=O)C1CC1C 1458a_100000211227_100000210202 [0,0,0,1,0,0|1,0,0]=2 2849 B8R1.83 CCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210202 [0,0,0,1,0,0|2,0,0]=3 2850 B8R1.83 CNC(=O)C1CC1C 11a_106832991635_100000211227 [0,0,0,1,0,0|1,0,0]=2 2851 B8R1.83 CNC(=O)C1CC1C 1626a_100102657272_100000211227 [0,0,0,1,0,0|1,0,0]=2 2852 B8R1.83 CNC(=O)C1CC1C 527a_100102657272_100000211227 [0,0,0,1,0,0|1,0,0]=2 2853 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 11a_106832991635_100015396687 [0,0,0,1,0,0|2,0,0]=3 2854 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 240690a_100102657272_100015396687 [0,0,0,1,0,0|2,0,0]=3 2855 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 527a_100102657272_100015396687 [0,0,0,1,0,0|2,0,0]=3 2856 B8R1.83 COC(=O)C1CN1C 2230a_200009830135_200000210301 [0,0,0,1,0,0|1,0,0]=2 2857 B8R1.83 COC(=O)C1CN1[13CH3] 2230a_200009830135_200025704644 [0,0,0,1,0,0|1,0,0]=2 2858 B8R1.83 O=C(CF)[C@@H]1C[C@@H]1F 1458a_100015396687_100015361967 [0,0,0,1,0,0|3,0,0]=4 2859 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [2,0,0,0,0,0|0,0,2]=4 2860 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [2,0,0,0,0,0|0,0,2]=4 2861 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [2,0,0,0,0,0|0,0,2]=4 2862 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [2,0,0,0,0,0|2,0,0]=4 2863 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [2,0,0,0,0,0|2,0,0]=4 2864 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [2,0,0,0,0,0|2,0,0]=4 2865 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [2,0,0,0,0,0|2,0,0]=4 2866 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [2,0,0,0,0,0|2,0,0]=4 2867 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [2,0,0,0,0,0|2,0,0]=4 2868 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [2,0,0,0,0,0|2,0,0]=4 2869 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [2,0,0,0,0,0|2,0,0]=4 2870 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [2,0,0,0,0,0|2,0,0]=4 2871 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [2,0,0,0,0,0|2,0,0]=4 2872 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [2,0,0,0,0,0|0,0,2]=4 2873 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [2,0,0,0,0,0|0,0,2]=4 2874 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [2,0,0,0,0,0|0,0,2]=4 2875 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [2,0,0,0,0,0|0,0,2]=4 2876 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [2,0,0,0,0,0|0,0,2]=4 2877 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [2,0,0,0,0,0|1,0,1]=4 2878 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [2,0,0,0,0,0|1,0,1]=4 2879 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [2,0,0,0,0,0|1,0,0]=3 2880 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [2,0,0,0,0,0|1,0,0]=3 2881 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [2,0,0,0,0,0|1,0,0]=3 2882 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [2,0,0,0,0,0|1,0,0]=3 2883 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [2,0,0,0,0,0|0,0,2]=4 2884 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [2,0,0,0,0,0|0,0,2]=4 2885 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [2,0,0,0,0,0|0,0,0]=2 2886 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [2,0,0,0,0,0|0,0,0]=2 2887 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [2,0,0,0,0,0|0,0,0]=2 2888 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [2,0,0,0,0,0|2,0,0]=4 2889 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [2,0,0,0,0,0|2,0,0]=4 2890 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [2,0,0,0,0,0|2,0,0]=4 2891 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [2,0,0,0,0,0|2,0,0]=4 2892 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [2,0,0,0,0,0|2,0,0]=4 2893 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [2,0,0,0,0,0|2,0,0]=4 2894 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [2,0,0,0,0,0|1,0,0]=3 2895 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [2,0,0,0,0,0|1,0,0]=3 2896 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [2,0,0,0,0,0|1,0,0]=3 2897 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [2,0,0,0,0,0|2,0,0]=4 2898 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [2,0,0,0,0,0|2,0,0]=4 2899 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [2,0,0,0,0,0|2,0,0]=4 2900 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [2,0,0,0,0,0|2,0,0]=4 2901 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [2,0,0,0,0,0|1,0,0]=3 2902 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [2,0,0,0,0,0|1,0,1]=4 2903 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [2,0,0,0,0,0|2,0,0]=4 2904 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [2,0,0,0,0,0|1,0,0]=3 2905 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [2,0,0,0,0,0|1,0,0]=3 2906 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [2,0,0,0,0,0|2,0,0]=4 2907 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [2,0,0,0,0,0|1,0,0]=3 2908 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [2,0,0,0,0,0|1,0,1]=4 2909 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [2,0,0,0,0,0|1,0,0]=3 2910 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [2,0,0,0,0,0|2,0,0]=4 2911 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [2,0,0,0,0,0|2,0,0]=4 2912 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [2,0,0,0,0,0|1,0,0]=3 2913 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [2,0,0,0,0,0|1,0,1]=4 2914 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [2,0,0,0,0,0|1,0,1]=4 2915 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [2,0,0,0,0,0|1,0,1]=4 2916 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [2,0,0,0,0,0|1,0,0]=3 2917 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [2,0,0,0,0,0|2,0,0]=4 2918 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [2,0,0,0,0,0|1,0,0]=3 2919 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [2,0,0,0,0,0|2,0,0]=4 2920 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [2,0,0,0,0,0|2,0,0]=4 2921 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [2,0,0,0,0,0|1,0,1]=4 2922 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [2,0,0,0,0,0|1,0,1]=4 2923 B5R0.2 C#CCCOC 34a_100011215631_200000210301 [2,0,0,0,0,0|0,0,2]=4 2924 B5R0.2 C#CCCOC 34a_100138415774_100000688953 [2,0,0,0,0,0|0,0,2]=4 2925 B5R0.2 C#CCCO[13CH3] 34a_100011215631_200025704644 [2,0,0,0,0,0|0,0,2]=4 2926 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [2,0,0,0,0,0|1,0,1]=4 2927 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [2,0,0,0,0,0|1,0,1]=4 2928 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [2,0,0,0,0,0|0,0,2]=4 2929 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [2,0,0,0,0,0|0,0,2]=4 2930 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [2,0,0,0,0,0|0,0,2]=4 2931 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [2,0,0,0,0,0|1,0,1]=4 2932 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [2,0,0,0,0,0|1,0,1]=4 2933 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [2,0,0,0,0,0|1,0,1]=4 2934 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [2,0,0,0,0,0|1,0,1]=4 2935 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [2,0,0,0,0,0|1,0,1]=4 2936 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [2,0,0,0,0,0|1,0,1]=4 2937 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [2,0,0,0,0,0|1,0,1]=4 2938 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [2,0,0,0,0,0|1,0,1]=4 2939 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [2,0,0,0,0,0|1,0,1]=4 2940 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [2,0,0,0,0,0|0,0,2]=4 2941 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [2,0,0,0,0,0|0,0,2]=4 2942 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [2,0,0,0,0,0|0,0,2]=4 2943 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [2,0,0,0,0,0|1,0,1]=4 2944 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [2,0,0,0,0,0|1,0,1]=4 2945 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [2,0,0,0,0,0|1,0,1]=4 2946 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [2,0,0,0,0,0|1,0,1]=4 2947 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [2,0,0,0,0,0|1,0,1]=4 2948 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [2,0,0,0,0,0|1,0,1]=4 2949 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [2,0,0,0,0,0|1,0,1]=4 2950 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [2,0,0,0,0,0|1,0,1]=4 2951 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [2,0,0,0,0,0|1,0,1]=4 2952 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [2,0,0,0,0,0|1,0,1]=4 2953 B5R0.2 CC#CCOC 34a_100000761923_200000210301 [2,0,0,0,0,0|0,0,2]=4 2954 B5R0.2 CC#CCOC 34a_100138415774_100000748600 [2,0,0,0,0,0|0,0,2]=4 2955 B5R0.2 CC#CCO[13CH3] 34a_100000761923_200025704644 [2,0,0,0,0,0|0,0,2]=4 2956 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [2,0,0,0,0,0|1,0,1]=4 2957 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [2,0,0,0,0,0|1,0,1]=4 2958 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [2,0,0,0,0,0|1,0,1]=4 2959 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [2,0,0,0,0,0|0,0,2]=4 2960 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [2,0,0,0,0,0|1,0,1]=4 2961 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [2,0,0,0,0,0|1,0,1]=4 2962 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [2,0,0,0,0,0|1,0,1]=4 2963 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [2,0,0,0,0,0|1,0,1]=4 2964 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [2,0,0,0,0,0|2,0,0]=4 2965 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [2,0,0,0,0,0|1,0,0]=3 2966 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [2,0,0,0,0,0|1,0,0]=3 2967 B5R0.2 CCCCNC 34a_100102657272_100000210210 [2,0,0,0,0,0|1,0,0]=3 2968 B5R0.2 CCCCNC 7a_106832991635_100000210211 [2,0,0,0,0,0|1,0,0]=3 2969 B5R0.2 CCCCNC 7a_106832991798_200000210301 [2,0,0,0,0,0|1,0,0]=3 2970 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [2,0,0,0,0,0|1,0,0]=3 2971 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [2,0,0,0,0,0|1,0,0]=3 2972 B5R0.2 CCCCOC 34a_100000210227_200000210301 [2,0,0,0,0,0|0,0,0]=2 2973 B5R0.2 CCCCOC 34a_100138415774_100000210210 [2,0,0,0,0,0|0,0,0]=2 2974 B5R0.2 CCCCOC 7a_100000210227_200000210301 [2,0,0,0,0,0|0,0,0]=2 2975 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [2,0,0,0,0,0|0,0,0]=2 2976 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [2,0,0,0,0,0|0,0,0]=2 2977 B5R0.2 CCCCSC 62a_100000210211_200000210301 [2,0,0,0,0,0|0,1,0]=3 2978 B5R0.2 CCCCSC 62a_200000210301_100000210210 [2,0,0,0,0,0|0,1,0]=3 2979 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [2,0,0,0,0,0|0,1,0]=3 2980 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [2,0,0,0,0,0|0,1,0]=3 2981 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [2,0,0,0,0,0|1,0,1]=4 2982 B5R0.2 CCCOCC 34a_100000210258_100000210202 [2,0,0,0,0,0|1,0,1]=4 2983 B5R0.2 CCCOCC 34a_100121572206_100000210303 [2,0,0,0,0,0|1,0,1]=4 2984 B5R0.2 CCCSCC 62a_100000210202_100000210303 [2,0,0,0,0,0|1,0,1]=4 2985 B5R0.2 CCCSCC 62a_100000210303_100000210202 [2,0,0,0,0,0|1,0,1]=4 2986 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [2,0,0,0,0,0|1,0,0]=3 2987 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [2,0,0,0,0,0|1,0,1]=4 2988 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [2,0,0,0,0,0|1,0,1]=4 2989 B5R0.2 CCNCCO 34a_100016990907_100000210202 [2,0,0,0,0,0|1,0,1]=4 2990 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [2,0,0,0,0,0|1,0,0]=3 2991 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [2,0,0,0,0,0|1,1,0]=4 2992 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [2,0,0,0,0,0|1,0,0]=3 2993 B5R0.2 CCOCCO 34a_100121572206_100000211926 [2,0,0,0,0,0|1,0,1]=4 2994 B5R0.2 CCOCSC 34a_100121572206_100011218213 [2,0,0,0,0,0|1,1,0]=4 2995 B5R0.2 CCOCSC 62a_100000739092_200000210301 [2,0,0,0,0,0|1,1,0]=4 2996 B5R0.2 CCOCSC 62a_200000210301_100000739092 [2,0,0,0,0,0|1,1,0]=4 2997 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [2,0,0,0,0,0|1,1,0]=4 2998 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [2,0,0,0,0,0|1,1,0]=4 2999 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [2,0,0,0,0,0|1,0,0]=3 3000 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [2,0,0,0,0,0|1,0,0]=3 3001 B5R0.2 CCSCCO 62a_100000210202_100000211926 [2,0,0,0,0,0|1,0,1]=4 3002 B5R0.2 CCSCCO 62a_100000211926_100000210202 [2,0,0,0,0,0|1,0,1]=4 3003 B5R0.2 CCSCOC 62a_100000210202_100000766300 [2,0,0,0,0,0|1,0,0]=3 3004 B5R0.2 CCSCOC 62a_100000766300_100000210202 [2,0,0,0,0,0|1,0,0]=3 3005 B5R0.2 CCSCSC 62a_100000210202_100011218213 [2,0,0,0,0,0|1,1,0]=4 3006 B5R0.2 CCSCSC 62a_100011218213_100000210202 [2,0,0,0,0,0|1,1,0]=4 3007 B5R0.2 CNCCCF 2230a_100015189416_200000210301 [2,0,0,0,0,0|2,0,0]=4 3008 B5R0.2 CNCCCF 2230a_106832991635_100011934791 [2,0,0,0,0,0|2,0,0]=4 3009 B5R0.2 CNCCCF 34a_100015189416_200000210301 [2,0,0,0,0,0|2,0,0]=4 3010 B5R0.2 CNCCCF 34a_100102657272_100011934791 [2,0,0,0,0,0|2,0,0]=4 3011 B5R0.2 CNCCCF 7a_106832991635_100011934791 [2,0,0,0,0,0|2,0,0]=4 3012 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [2,0,0,0,0,0|1,0,1]=4 3013 B5R0.2 CNCCCO 34a_100102657272_100000230001 [2,0,0,0,0,0|1,0,1]=4 3014 B5R0.2 CNCCCO 7a_106832991635_100011215043 [2,0,0,0,0,0|1,0,1]=4 3015 B5R0.2 CNCCOC 2230a_100000209980_200000210301 [2,0,0,0,0,0|1,0,0]=3 3016 B5R0.2 CNCCOC 2230a_106832991635_100011201679 [2,0,0,0,0,0|1,0,0]=3 3017 B5R0.2 CNCCOC 34a_100102657272_100011201679 [2,0,0,0,0,0|1,0,0]=3 3018 B5R0.2 CNCCOC 7a_106832991635_100000233755 [2,0,0,0,0,0|1,0,0]=3 3019 B5R0.2 CNCCSC 2230a_100020590264_200000210301 [2,0,0,0,0,0|1,1,0]=4 3020 B5R0.2 CNCCSC 2230a_106832991635_100000751147 [2,0,0,0,0,0|1,1,0]=4 3021 B5R0.2 CNCCSC 34a_100102657272_100000212216 [2,0,0,0,0,0|1,1,0]=4 3022 B5R0.2 CNCCSC 7a_106832991635_100000212216 [2,0,0,0,0,0|1,1,0]=4 3023 B5R0.2 COCCCBr 34a_100011217188_200000210301 [2,0,0,0,0,0|1,0,0]=3 3024 B5R0.2 COCCCCl 34a_100000230001_200000210301 [2,0,0,0,0,0|1,0,0]=3 3025 B5R0.2 COCCCF 34a_100000759539_200000210301 [2,0,0,0,0,0|1,0,0]=3 3026 B5R0.2 COCCCF 34a_100138415774_100011934791 [2,0,0,0,0,0|1,0,0]=3 3027 B5R0.2 COCCCN 34a_100000182051_200000210301 [2,0,0,0,0,0|1,0,0]=3 3028 B5R0.2 COCCCO 34a_100138415774_100000230001 [2,0,0,0,0,0|1,0,0]=3 3029 B5R0.2 COCCN[13CH3] 2230a_100000209980_200025704644 [2,0,0,0,0,0|1,0,0]=3 3030 B5R0.2 COCCOC 34a_100000210237_200000210301 [2,0,0,0,0,0|1,0,0]=3 3031 B5R0.2 COCCOC 34a_100138415774_100011201679 [2,0,0,0,0,0|1,0,0]=3 3032 B5R0.2 COCCON 34a_100000700252_200000210301 [2,0,0,0,0,0|2,0,0]=4 3033 B5R0.2 COCCO[13CH3] 34a_100000210237_200025704644 [2,0,0,0,0,0|1,0,0]=3 3034 B5R0.2 COCCSC 34a_100000230434_200000210301 [2,0,0,0,0,0|1,0,0]=3 3035 B5R0.2 COCCSC 34a_100138415774_100000212216 [2,0,0,0,0,0|1,0,0]=3 3036 B5R0.2 COCCSC 62a_100000233755_200000210301 [2,0,0,0,0,0|1,0,0]=3 3037 B5R0.2 COCCSC 62a_200000210301_100000233755 [2,0,0,0,0,0|1,0,0]=3 3038 B5R0.2 COCCSC 7a_100000230434_200000210301 [2,0,0,0,0,0|1,0,0]=3 3039 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [2,0,0,0,0,0|1,0,0]=3 3040 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [2,0,0,0,0,0|1,0,0]=3 3041 B5R0.2 COCSCF 62a_100000766300_100015361967 [2,0,0,0,0,0|2,0,0]=4 3042 B5R0.2 COCSCF 62a_100015361967_100000766300 [2,0,0,0,0,0|2,0,0]=4 3043 B5R0.2 CSCCCF 62a_100011934791_200000210301 [2,0,0,0,0,0|1,1,0]=4 3044 B5R0.2 CSCCCF 62a_200000210301_100011934791 [2,0,0,0,0,0|1,1,0]=4 3045 B5R0.2 CSCCCO 62a_100011215043_200000210301 [2,0,0,0,0,0|1,0,1]=4 3046 B5R0.2 CSCCCO 62a_200000210301_100011215043 [2,0,0,0,0,0|1,0,1]=4 3047 B5R0.2 CSCCN[13CH3] 2230a_100020590264_200025704644 [2,0,0,0,0,0|1,1,0]=4 3048 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [2,0,0,0,0,0|1,0,0]=3 3049 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [2,0,0,0,0,0|1,0,0]=3 3050 B5R0.2 CSCCSC 62a_100000212216_200000210301 [2,0,0,0,0,0|1,1,0]=4 3051 B5R0.2 CSCCSC 62a_200000210301_100000751147 [2,0,0,0,0,0|1,1,0]=4 3052 B5R0.2 CSCCS[13CH3] 62a_100000212216_200025704644 [2,0,0,0,0,0|1,1,0]=4 3053 B5R0.2 CSCCS[13CH3] 62a_200025704644_100000751147 [2,0,0,0,0,0|1,1,0]=4 3054 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [2,0,0,0,0,0|2,0,0]=4 3055 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [2,0,0,0,0,0|2,0,0]=4 3056 B5R0.2 [13CH3]NCCCF 2230a_100015189416_200025704644 [2,0,0,0,0,0|2,0,0]=4 3057 B5R0.2 [13CH3]NCCCF 34a_100015189416_200025704644 [2,0,0,0,0,0|2,0,0]=4 3058 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [2,0,0,0,0,0|1,0,0]=3 3059 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [2,0,0,0,0,0|1,0,0]=3 3060 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [2,0,0,0,0,0|1,0,0]=3 3061 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [2,0,0,0,0,0|1,0,0]=3 3062 B5R0.2 [13CH3]OCCON 34a_100000700252_200025704644 [2,0,0,0,0,0|2,0,0]=4 3063 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [2,0,0,0,0,0|1,1,0]=4 3064 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [2,0,0,0,0,0|1,1,0]=4 3065 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [2,0,0,0,0,0|1,0,1]=4 3066 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [2,0,0,0,0,0|1,0,1]=4 3067 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [2,0,0,0,0,0|1,0,1]=4 3068 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [2,0,0,0,0,0|1,0,1]=4 3069 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [2,0,0,0,0,0|1,0,0]=3 3070 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [2,0,0,0,0,0|2,0,0]=4 3071 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [2,0,0,0,0,0|2,0,0]=4 3072 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [2,0,0,0,0,0|1,0,0]=3 3073 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [2,0,0,0,0,0|1,0,0]=3 3074 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [2,0,0,0,0,0|1,0,0]=3 3075 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [2,0,0,0,0,0|1,0,0]=3 3076 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [2,0,0,0,0,0|1,0,1]=4 3077 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [2,0,0,0,0,0|1,0,1]=4 3078 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [2,0,0,0,0,0|1,0,1]=4 3079 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [2,0,0,0,0,0|2,0,0]=4 3080 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [2,0,0,0,0,0|2,0,0]=4 3081 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [2,0,0,0,0,0|2,0,0]=4 3082 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [2,0,0,0,0,0|2,0,0]=4 3083 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [2,0,0,0,0,0|2,0,0]=4 3084 B7R0.2 C#CC(=O)CC(C)C 1458a_100000211873_100000210624 [1,1,0,0,0,0|1,0,1]=4 3085 B7R0.2 C#CC(=O)CC(C)O 1458a_100000211873_100011218427 [1,1,0,0,0,0|1,0,1]=4 3086 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [1,1,0,0,0,0|1,0,1]=4 3087 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [1,1,0,0,0,0|1,0,1]=4 3088 B7R0.2 C=CC(=O)CC(C)O 1458a_100000185746_100011218427 [1,1,0,0,0,0|1,0,1]=4 3089 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [1,1,0,0,0,0|2,0,0]=4 3090 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [1,1,0,0,0,0|2,0,0]=4 3091 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [1,1,0,0,0,0|1,0,1]=4 3092 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [1,1,0,0,0,0|1,0,1]=4 3093 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [1,1,0,0,0,0|2,0,0]=4 3094 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [1,1,0,0,0,0|1,0,1]=4 3095 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [1,1,0,0,0,0|1,0,0]=3 3096 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [1,1,0,0,0,0|1,0,0]=3 3097 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [1,1,0,0,0,0|1,0,0]=3 3098 B7R0.2 CCC(=O)CC(F)F 1458a_100000210414_100011934356 [1,1,0,0,0,0|2,0,0]=4 3099 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [1,1,0,0,0,0|2,0,0]=4 3100 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [1,1,0,0,0,0|2,0,0]=4 3101 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [1,1,0,0,0,0|1,0,0]=3 3102 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [1,1,0,0,0,0|2,0,0]=4 3103 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [1,1,0,0,0,0|2,0,0]=4 3104 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [1,1,0,0,0,0|2,0,0]=4 3105 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [1,1,0,0,0,0|2,0,0]=4 3106 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [1,1,0,0,0,0|2,0,0]=4 3107 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [1,1,0,0,0,0|1,0,1]=4 3108 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [1,1,0,0,0,0|1,0,0]=3 3109 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [1,1,0,0,0,0|1,0,0]=3 3110 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [1,1,0,0,0,0|1,0,0]=3 3111 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [1,1,0,0,0,0|1,0,0]=3 3112 B7R0.2 CNC(=O)CN(C)C 11a_106832991635_100000750896 [1,1,0,0,0,0|2,0,0]=4 3113 B7R0.2 CNC(=O)CN(C)C 2230a_100000189611_200000210301 [1,1,0,0,0,0|2,0,0]=4 3114 B7R0.2 CNC(=O)CN(C)C 2230a_100102631434_100000183359 [1,1,0,0,0,0|2,0,0]=4 3115 B7R0.2 CNC(=O)CN(C)C 240690a_100102657272_100000750896 [1,1,0,0,0,0|2,0,0]=4 3116 B7R0.2 CNC(=O)CN(C)C 269982a_100102631434_100000183359 [1,1,0,0,0,0|2,0,0]=4 3117 B7R0.2 CNC(=O)CN(C)C 527a_100102657272_100000750896 [1,1,0,0,0,0|2,0,0]=4 3118 B7R0.2 CNC(=O)CN(C)[13CH3] 2230a_100000189611_200025704644 [1,1,0,0,0,0|2,0,0]=4 3119 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [1,1,0,0,0,0|1,0,0]=3 3120 B7R0.2 CNC(=O)C[S+](C)C 11a_106832991635_200159257847 [1,1,0,0,0,0|2,0,0]=4 3121 B7R0.2 CNC(=O)C[S+](C)C 1626a_100102657272_200159257847 [1,1,0,0,0,0|2,0,0]=4 3122 B7R0.2 CNC(=O)C[S+](C)C 240690a_100102657272_200159257847 [1,1,0,0,0,0|2,0,0]=4 3123 B7R0.2 CNC(=O)C[S+](C)C 527a_100102657272_200159257847 [1,1,0,0,0,0|2,0,0]=4 3124 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [1,1,0,0,0,0|2,0,0]=4 3125 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [1,1,0,0,0,0|2,0,0]=4 3126 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [1,1,0,0,0,0|2,0,0]=4 3127 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [1,1,0,0,0,0|2,0,0]=4 3128 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [1,1,0,0,0,0|2,0,0]=4 3129 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [1,1,0,0,0,0|0,0,1]=3 3130 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [1,1,0,0,0,0|0,0,1]=3 3131 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [1,1,0,0,0,0|0,0,1]=3 3132 B7R0.2 COC(=O)CN(C)C 2230a_100000198492_200000210301 [1,1,0,0,0,0|1,0,0]=3 3133 B7R0.2 COC(=O)CN(C)C 2230a_100102631434_100000747449 [1,1,0,0,0,0|1,0,0]=3 3134 B7R0.2 COC(=O)CN(C)C 269982a_100102631434_100000747449 [1,1,0,0,0,0|1,0,0]=3 3135 B7R0.2 COC(=O)CN(C)[13CH3] 2230a_100000198492_200025704644 [1,1,0,0,0,0|1,0,0]=3 3136 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [1,1,0,0,0,0|1,0,1]=4 3137 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [1,1,0,0,0,0|1,0,1]=4 3138 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [1,1,0,0,0,0|1,0,1]=4 3139 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [1,1,0,0,0,0|2,0,0]=4 3140 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [1,1,0,0,0,0|1,0,0]=3 3141 B7R0.5 C=C(C)C(=O)CCF 1458a_100000185857_100011217306 [1,1,0,0,0,0|2,0,0]=4 3142 B7R0.5 C=C(C)C(=O)CCO 1458a_100000185857_100000211926 [1,1,0,0,0,0|2,0,0]=4 3143 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [1,1,0,0,0,0|2,0,0]=4 3144 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [1,1,0,0,0,0|2,0,0]=4 3145 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [1,1,0,0,0,0|2,0,0]=4 3146 B7R0.5 CC(C)C(=O)CCF 1458a_100000210198_100011217306 [1,1,0,0,0,0|2,0,0]=4 3147 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [1,1,0,0,0,0|2,0,0]=4 3148 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [1,1,0,0,0,0|2,0,0]=4 3149 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [1,1,0,0,0,0|2,0,0]=4 3150 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [1,1,0,0,0,0|2,0,0]=4 3151 B7R0.5 CC(F)C(=O)CCF 1458a_100000062450_100011217306 [1,1,0,0,0,0|2,0,0]=4 3152 B7R0.5 CC(F)C(=O)CCO 1458a_100000062450_100000211926 [1,1,0,0,0,0|2,0,0]=4 3153 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [1,1,0,0,0,0|1,0,0]=3 3154 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [1,1,0,0,0,0|1,0,0]=3 3155 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [1,1,0,0,0,0|1,0,0]=3 3156 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [1,1,0,0,0,0|2,0,0]=4 3157 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [1,1,0,0,0,0|1,0,0]=3 3158 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [1,1,0,0,0,0|1,0,0]=3 3159 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [1,1,0,0,0,0|1,0,0]=3 3160 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [1,1,0,0,0,0|1,0,0]=3 3161 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [1,1,0,0,0,0|1,0,0]=3 3162 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [1,1,0,0,0,0|1,0,0]=3 3163 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [1,1,0,0,0,0|2,0,0]=4 3164 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [1,1,0,0,0,0|2,0,0]=4 3165 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [1,1,0,0,0,0|2,0,0]=4 3166 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [1,1,0,0,0,0|2,0,0]=4 3167 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [1,1,0,0,0,0|2,0,0]=4 3168 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [1,1,0,0,0,0|2,0,0]=4 3169 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [1,1,0,0,0,0|2,0,0]=4 3170 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [1,1,0,0,0,0|2,0,0]=4 3171 B7R0.5 CCNC(=O)N(C)C 2708a_100015525214_100102631434 [1,1,0,0,0,0|2,0,0]=4 3172 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [1,1,0,0,0,0|2,0,0]=4 3173 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [1,1,0,0,0,0|2,0,0]=4 3174 B7R0.5 CN(C)C(=O)CCO 240690a_100102631434_100011216618 [1,1,0,0,0,0|2,0,0]=4 3175 B7R0.5 CN(C)C(=O)CN[13CH3] 2230a_100015183351_200025704644 [1,1,0,0,0,0|2,0,0]=4 3176 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_100000692301_200025704644 [1,1,0,0,0,0|2,0,0]=4 3177 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_200025704644_100000692301 [1,1,0,0,0,0|2,0,0]=4 3178 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [1,1,0,0,0,0|2,0,0]=4 3179 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [1,1,0,0,0,0|2,0,0]=4 3180 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [1,1,0,0,0,0|2,0,0]=4 3181 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [1,1,0,0,0,0|2,0,0]=4 3182 B7R0.5 CNCC(=O)N(C)C 2230a_100015183351_200000210301 [1,1,0,0,0,0|2,0,0]=4 3183 B7R0.5 CNCC(=O)N(C)C 2230a_106832991635_100000185267 [1,1,0,0,0,0|2,0,0]=4 3184 B7R0.5 CNCC(=O)N(C)C 34a_100102657272_100000692301 [1,1,0,0,0,0|2,0,0]=4 3185 B7R0.5 CNCC(=O)N(C)C 7a_106832991635_100000692301 [1,1,0,0,0,0|2,0,0]=4 3186 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [1,1,0,0,0,0|2,0,0]=4 3187 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [1,1,0,0,0,0|2,0,0]=4 3188 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [1,1,0,0,0,0|2,0,0]=4 3189 B7R0.5 COCC(=O)N(C)C 11a_100102631434_100000210968 [1,1,0,0,0,0|2,0,0]=4 3190 B7R0.5 COCC(=O)N(C)C 1626a_100102631434_100000210968 [1,1,0,0,0,0|2,0,0]=4 3191 B7R0.5 COCC(=O)N(C)C 240690a_100102631434_100000210968 [1,1,0,0,0,0|2,0,0]=4 3192 B7R0.5 COCC(=O)N(C)C 34a_100138415774_100000692301 [1,1,0,0,0,0|2,0,0]=4 3193 B7R0.5 COCC(=O)N(C)C 527a_100102631434_100000210968 [1,1,0,0,0,0|2,0,0]=4 3194 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [1,1,0,0,0,0|2,0,0]=4 3195 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [1,1,0,0,0,0|2,0,0]=4 3196 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [1,1,0,0,0,0|2,0,0]=4 3197 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [1,1,0,0,0,0|2,0,0]=4 3198 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [1,1,0,0,0,0|2,0,0]=4 3199 B7R0.5 CSCC(=O)N(C)C 11a_100102631434_100000184570 [1,1,0,0,0,0|2,0,0]=4 3200 B7R0.5 CSCC(=O)N(C)C 1626a_100102631434_100000184570 [1,1,0,0,0,0|2,0,0]=4 3201 B7R0.5 CSCC(=O)N(C)C 240690a_100102631434_100000184570 [1,1,0,0,0,0|2,0,0]=4 3202 B7R0.5 CSCC(=O)N(C)C 527a_100102631434_100000184570 [1,1,0,0,0,0|2,0,0]=4 3203 B7R0.5 CSCC(=O)N(C)C 62a_100000692301_200000210301 [1,1,0,0,0,0|2,0,0]=4 3204 B7R0.5 CSCC(=O)N(C)C 62a_200000210301_100000692301 [1,1,0,0,0,0|2,0,0]=4 3205 B7R0.5 C[C@@H](O)C(=O)CCF 1458a_100000717761_100011217306 [1,1,0,0,0,0|2,0,0]=4 3206 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [1,1,0,0,0,0|2,0,0]=4 3207 B7R0.5 C[C@H](O)C(=O)CCF 1458a_217856618621_100011217306 [1,1,0,0,0,0|2,0,0]=4 3208 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [1,1,0,0,0,0|2,0,0]=4 3209 B7R0.7 C#CCC(=O)CCC 1458a_100000211992_100000184674 [1,1,0,0,0,0|1,0,1]=4 3210 B7R0.7 C#CCC(=O)CCC 1458a_100011220946_100000210303 [1,1,0,0,0,0|1,0,1]=4 3211 B7R0.7 C#CCC(=O)COC 1458a_100000210968_100000184674 [1,1,0,0,0,0|0,0,2]=4 3212 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [1,1,0,0,0,0|1,0,1]=4 3213 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [1,1,0,0,0,0|1,0,1]=4 3214 B7R0.7 C=CCC(=O)COC 1458a_100000210968_100000210623 [1,1,0,0,0,0|0,0,2]=4 3215 B7R0.7 C=COC(=O)CNC 2230a_106832991635_100000036128 [1,1,0,0,0,0|1,0,1]=4 3216 B7R0.7 C=COC(=O)CNC 34a_100102657272_100000036128 [1,1,0,0,0,0|1,0,1]=4 3217 B7R0.7 C=COC(=O)COC 34a_100138415774_100000036128 [1,1,0,0,0,0|1,0,1]=4 3218 B7R0.7 C=COC(=O)CSC 62a_100000036128_200000210301 [1,1,0,0,0,0|1,0,1]=4 3219 B7R0.7 C=COC(=O)CSC 62a_200000210301_100000036128 [1,1,0,0,0,0|1,0,1]=4 3220 B7R0.7 C=COC(=O)CS[13CH3] 62a_100000036128_200025704644 [1,1,0,0,0,0|1,0,1]=4 3221 B7R0.7 C=COC(=O)CS[13CH3] 62a_200025704644_100000036128 [1,1,0,0,0,0|1,0,1]=4 3222 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [1,1,0,0,0,0|1,0,0]=3 3223 B7R0.7 CC#CC(=O)CCF 1458a_100000763181_100011217306 [1,1,0,0,0,0|2,0,0]=4 3224 B7R0.7 CC#CC(=O)CCO 1458a_100000763181_100000211926 [1,1,0,0,0,0|2,0,0]=4 3225 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [1,1,0,0,0,0|1,0,0]=3 3226 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [1,1,0,0,0,0|2,0,0]=4 3227 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [1,1,0,0,0,0|2,0,0]=4 3228 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [1,1,0,0,0,0|2,0,0]=4 3229 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [1,1,0,0,0,0|2,0,0]=4 3230 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [1,1,0,0,0,0|1,0,1]=4 3231 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [1,1,0,0,0,0|1,0,1]=4 3232 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [1,1,0,0,0,0|1,0,1]=4 3233 B7R0.7 CCCC(=O)CC#N 1458a_100000211992_100011214920 [1,1,0,0,0,0|1,0,1]=4 3234 B7R0.7 CCCC(=O)CC#N 1458a_100051588842_100000210303 [1,1,0,0,0,0|1,0,1]=4 3235 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [1,1,0,0,0,0|1,0,0]=3 3236 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [1,1,0,0,0,0|1,0,0]=3 3237 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [1,1,0,0,0,0|1,0,0]=3 3238 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [1,1,0,0,0,0|1,0,0]=3 3239 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [1,1,0,0,0,0|1,0,0]=3 3240 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [1,1,0,0,0,0|1,0,0]=3 3241 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [1,1,0,0,0,0|0,0,0]=2 3242 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [1,1,0,0,0,0|0,1,0]=3 3243 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [1,1,0,0,0,0|0,1,0]=3 3244 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [1,1,0,0,0,0|0,1,0]=3 3245 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [1,1,0,0,0,0|0,1,0]=3 3246 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [1,1,0,0,0,0|0,1,0]=3 3247 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [1,1,0,0,0,0|1,0,0]=3 3248 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [1,1,0,0,0,0|1,0,0]=3 3249 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [1,1,0,0,0,0|1,0,0]=3 3250 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [1,1,0,0,0,0|1,0,0]=3 3251 B7R0.7 CCCC(C)COC 34a_100000688023_200000210301 [1,1,0,0,0,0|1,0,1]=4 3252 B7R0.7 CCCC(C)COC 34a_100138415774_100011216630 [1,1,0,0,0,0|1,0,1]=4 3253 B7R0.7 CCCC(C)COC 7a_100000688023_200000210301 [1,1,0,0,0,0|1,0,1]=4 3254 B7R0.7 CCCC(C)CO[13CH3] 34a_100000688023_200025704644 [1,1,0,0,0,0|1,0,1]=4 3255 B7R0.7 CCCC(C)CO[13CH3] 7a_100000688023_200025704644 [1,1,0,0,0,0|1,0,1]=4 3256 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [1,1,0,0,0,0|1,0,1]=4 3257 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [1,1,0,0,0,0|1,0,1]=4 3258 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [1,1,0,0,0,0|1,0,1]=4 3259 B7R0.7 CCCC(C)OCF 34a_100000764384_100015361967 [1,1,0,0,0,0|1,0,1]=4 3260 B7R0.7 CCCC(C)OCF 7a_100000764384_100015361967 [1,1,0,0,0,0|1,0,1]=4 3261 B7R0.7 CCCN(C)COC 2230a_100000747261_100000766300 [1,1,0,0,0,0|2,0,0]=4 3262 B7R0.7 CCCN(C)COC 269982a_100000747261_100000766300 [1,1,0,0,0,0|2,0,0]=4 3263 B7R0.7 CCC[C@H](N)COC 34a_100000732646_200000210301 [1,1,0,0,0,0|1,0,1]=4 3264 B7R0.7 CCC[C@H](N)CO[13CH3] 34a_100000732646_200025704644 [1,1,0,0,0,0|1,0,1]=4 3265 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [1,1,0,0,0,0|2,0,0]=4 3266 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [1,1,0,0,0,0|2,0,0]=4 3267 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [1,1,0,0,0,0|2,0,0]=4 3268 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [1,1,0,0,0,0|2,0,0]=4 3269 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [1,1,0,0,0,0|2,0,0]=4 3270 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [1,1,0,0,0,0|2,0,0]=4 3271 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [1,1,0,0,0,0|1,0,0]=3 3272 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [1,1,0,0,0,0|1,0,0]=3 3273 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [1,1,0,0,0,0|1,0,0]=3 3274 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [1,1,0,0,0,0|1,0,0]=3 3275 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [1,1,0,0,0,0|1,1,0]=4 3276 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [1,1,0,0,0,0|1,1,0]=4 3277 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [1,1,0,0,0,0|1,1,0]=4 3278 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [1,1,0,0,0,0|1,1,0]=4 3279 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [1,1,0,0,0,0|1,1,0]=4 3280 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [1,1,0,0,0,0|1,1,0]=4 3281 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [1,1,0,0,0,0|1,1,0]=4 3282 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [1,1,0,0,0,0|2,0,0]=4 3283 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [1,1,0,0,0,0|2,0,0]=4 3284 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [1,1,0,0,0,0|2,0,0]=4 3285 B7R0.7 CCNC(=O)NNC 273464a_100015525214_100016993582 [1,1,0,0,0,0|2,0,0]=4 3286 B7R0.7 CCNC(=O)NNC 512a_100015525214_100016993582 [1,1,0,0,0,0|2,0,0]=4 3287 B7R0.7 CCNC(=O)NNC 512a_100016993582_100015525214 [1,1,0,0,0,0|2,0,0]=4 3288 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [1,1,0,0,0,0|1,0,0]=3 3289 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [1,1,0,0,0,0|1,0,0]=3 3290 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [1,1,0,0,0,0|1,0,0]=3 3291 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [1,1,0,0,0,0|1,0,0]=3 3292 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [1,1,0,0,0,0|1,0,0]=3 3293 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [1,1,0,0,0,0|1,0,0]=3 3294 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [1,1,0,0,0,0|1,0,0]=3 3295 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [1,1,0,0,0,0|1,0,0]=3 3296 B7R0.7 CNCC(=O)NCO 2230a_106832991635_100000185155 [1,1,0,0,0,0|2,0,0]=4 3297 B7R0.7 CNCC(=O)NCO 34a_100102657272_100000185155 [1,1,0,0,0,0|2,0,0]=4 3298 B7R0.7 CNCC(=O)NCO 7a_106832991635_100000185155 [1,1,0,0,0,0|2,0,0]=4 3299 B7R0.7 CNNC(=O)CCO 22a_100016993582_100011216618 [1,1,0,0,0,0|2,0,0]=4 3300 B7R0.7 CNNC(=O)COC 22a_100016993582_100000210968 [1,1,0,0,0,0|2,0,0]=4 3301 B7R0.7 CNNC(=O)CSC 22a_100016993582_100000184570 [1,1,0,0,0,0|2,0,0]=4 3302 B7R0.7 COCC(=O)CC#N 1458a_100000210968_100011214920 [1,1,0,0,0,0|1,0,1]=4 3303 B7R0.7 COCC(=O)CCF 1458a_100000210968_100011217306 [1,1,0,0,0,0|1,0,0]=3 3304 B7R0.7 COCC(=O)CCO 1458a_100000210968_100000211926 [1,1,0,0,0,0|1,0,0]=3 3305 B7R0.7 COCC(=O)NCO 34a_100138415774_100000185155 [1,1,0,0,0,0|2,0,0]=4 3306 B7R0.7 CSCC(=O)CCF 1458a_100000184570_100011217306 [1,1,0,0,0,0|1,1,0]=4 3307 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [1,1,0,0,0,0|1,1,0]=4 3308 B7R0.7 CSCC(=O)NCO 62a_100000185155_200000210301 [1,1,0,0,0,0|2,0,0]=4 3309 B7R0.7 CSCC(=O)NCO 62a_200000210301_100000185155 [1,1,0,0,0,0|2,0,0]=4 3310 B7R0.7 O=C(CCO)CCF 1458a_100011216618_100011217306 [1,1,0,0,0,0|2,0,0]=4 3311 B7R0.7 O=C(CCO)CCO 1458a_100011216618_100000211926 [1,1,0,0,0,0|2,0,0]=4 3312 B7R0.7 [13CH3]SCC(=O)NCO 62a_100000185155_200025704644 [1,1,0,0,0,0|2,0,0]=4 3313 B7R0.7 [13CH3]SCC(=O)NCO 62a_200025704644_100000185155 [1,1,0,0,0,0|2,0,0]=4 3314 B7R0.10 C#CC(=O)C(C)CC 1458a_100000211873_100000758301 [1,1,0,0,0,0|1,0,1]=4 3315 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [1,1,0,0,0,0|1,0,1]=4 3316 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [1,1,0,0,0,0|1,0,1]=4 3317 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [1,1,0,0,0,0|1,0,0]=3 3318 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [1,1,0,0,0,0|1,0,0]=3 3319 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [1,1,0,0,0,0|2,0,0]=4 3320 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [1,1,0,0,0,0|2,0,0]=4 3321 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [1,1,0,0,0,0|2,0,0]=4 3322 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [1,1,0,0,0,0|2,0,0]=4 3323 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [1,1,0,0,0,0|2,0,0]=4 3324 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [1,1,0,0,0,0|2,0,0]=4 3325 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [1,1,0,0,0,0|2,0,0]=4 3326 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [1,1,0,0,0,0|2,0,0]=4 3327 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [1,1,0,0,0,0|1,0,0]=3 3328 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [1,1,0,0,0,0|2,0,0]=4 3329 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [1,1,0,0,0,0|2,0,0]=4 3330 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [1,1,0,0,0,0|2,0,0]=4 3331 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [1,1,0,0,0,0|2,0,0]=4 3332 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [1,1,0,0,0,0|2,0,0]=4 3333 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [1,1,0,0,0,0|2,0,0]=4 3334 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [1,1,0,0,0,0|2,0,0]=4 3335 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [1,1,0,0,0,0|1,0,0]=3 3336 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [1,1,0,0,0,0|1,0,0]=3 3337 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [1,1,0,0,0,0|1,0,0]=3 3338 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [1,1,0,0,0,0|1,0,0]=3 3339 B7R0.10 CCC(C)C(C)OC 7a_100011215189_200000210301 [1,1,0,0,0,0|1,0,1]=4 3340 B7R0.10 CCC(C)C(C)O[13CH3] 7a_100011215189_200025704644 [1,1,0,0,0,0|1,0,1]=4 3341 B7R0.10 CCC(O)C(=O)CF 1458a_100011196387_100015361967 [1,1,0,0,0,0|2,0,0]=4 3342 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [1,1,0,0,0,0|1,0,0]=3 3343 B7R0.10 CCN(C)C(=O)NC 2708a_100102657272_100000225621 [1,1,0,0,0,0|2,0,0]=4 3344 B7R0.10 CCN(C)C(=O)NC 273464a_100102657272_100000225621 [1,1,0,0,0,0|2,0,0]=4 3345 B7R0.10 CNC(=O)C(=O)OC 11a_106832991635_100000024059 [1,1,0,0,0,0|1,0,1]=4 3346 B7R0.10 CNC(=O)C(=O)OC 1626a_100102657272_100000024059 [1,1,0,0,0,0|1,0,1]=4 3347 B7R0.10 CNC(=O)C(=O)OC 240690a_100102657272_100000024059 [1,1,0,0,0,0|1,0,1]=4 3348 B7R0.10 CNC(=O)C(=O)OC 527a_100102657272_100000024059 [1,1,0,0,0,0|1,0,1]=4 3349 B7R0.10 CNC(=O)C(C)NC 2230a_106832991635_100000731044 [1,1,0,0,0,0|2,0,0]=4 3350 B7R0.10 CNC(=O)C(C)NC 34a_100102657272_100000731044 [1,1,0,0,0,0|2,0,0]=4 3351 B7R0.10 CNC(=O)C(C)NC 7a_106832991635_100000209862 [1,1,0,0,0,0|2,0,0]=4 3352 B7R0.10 CNC(=O)C(C)OC 11a_106832991635_100000743197 [1,1,0,0,0,0|2,0,0]=4 3353 B7R0.10 CNC(=O)C(C)OC 1626a_100102657272_100000743197 [1,1,0,0,0,0|2,0,0]=4 3354 B7R0.10 CNC(=O)C(C)OC 240690a_100102657272_100000743197 [1,1,0,0,0,0|2,0,0]=4 3355 B7R0.10 CNC(=O)C(C)OC 34a_100138415774_100000731044 [1,1,0,0,0,0|2,0,0]=4 3356 B7R0.10 CNC(=O)C(C)OC 527a_100102657272_100000743197 [1,1,0,0,0,0|2,0,0]=4 3357 B7R0.10 CNC(=O)C(C)SC 11a_106832991635_100000149566 [1,1,0,0,0,0|2,0,0]=4 3358 B7R0.10 CNC(=O)C(C)SC 1626a_100102657272_100000149566 [1,1,0,0,0,0|2,0,0]=4 3359 B7R0.10 CNC(=O)C(C)SC 240690a_100102657272_100000149566 [1,1,0,0,0,0|2,0,0]=4 3360 B7R0.10 CNC(=O)C(C)SC 527a_100102657272_100000149566 [1,1,0,0,0,0|2,0,0]=4 3361 B7R0.10 CNC(=O)C(C)SC 62a_100000209862_200000210301 [1,1,0,0,0,0|2,0,0]=4 3362 B7R0.10 CNC(=O)C(C)SC 62a_200000210301_100000731044 [1,1,0,0,0,0|2,0,0]=4 3363 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_100000209862_200025704644 [1,1,0,0,0,0|2,0,0]=4 3364 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_200025704644_100000731044 [1,1,0,0,0,0|2,0,0]=4 3365 B7R0.10 CNC(=O)C(F)NC 2230a_106832991635_100009813575 [1,1,0,0,0,0|2,0,0]=4 3366 B7R0.10 CNC(=O)C(F)NC 34a_100102657272_100009813575 [1,1,0,0,0,0|2,0,0]=4 3367 B7R0.10 CNC(=O)C(F)NC 7a_106832991635_100009813575 [1,1,0,0,0,0|2,0,0]=4 3368 B7R0.10 CNC(=O)C(F)OC 34a_100138415774_100009813575 [1,1,0,0,0,0|2,0,0]=4 3369 B7R0.10 CNC(=O)C(F)SC 62a_100009813575_200000210301 [1,1,0,0,0,0|2,0,0]=4 3370 B7R0.10 CNC(=O)C(F)SC 62a_200000210301_100009813575 [1,1,0,0,0,0|2,0,0]=4 3371 B7R0.10 CNC(=O)C(F)S[13CH3] 62a_100009813575_200025704644 [1,1,0,0,0,0|2,0,0]=4 3372 B7R0.10 CNC(=O)C(F)S[13CH3] 62a_200025704644_100009813575 [1,1,0,0,0,0|2,0,0]=4 3373 B7R0.10 CNC(=O)C(O)CO 240690a_100102657272_100011215603 [1,1,0,0,0,0|2,0,0]=4 3374 B7R0.10 CNC(=O)[C@@H](C)NC 2230a_100000684985_200000210301 [1,1,0,0,0,0|2,0,0]=4 3375 B7R0.10 CNC(=O)[C@@H](C)NC 34a_100000684985_200000210301 [1,1,0,0,0,0|2,0,0]=4 3376 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 2230a_100000684985_200025704644 [1,1,0,0,0,0|2,0,0]=4 3377 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 34a_100000684985_200025704644 [1,1,0,0,0,0|2,0,0]=4 3378 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [1,1,0,0,0,0|1,0,0]=3 3379 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [1,1,0,0,0,0|1,0,0]=3 3380 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [1,1,0,0,0,0|1,0,0]=3 3381 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [1,1,0,0,0,0|1,0,0]=3 3382 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [1,1,0,0,0,0|1,0,0]=3 3383 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [1,1,0,0,0,0|1,0,0]=3 3384 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [1,1,0,0,0,0|1,0,0]=3 3385 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [1,1,0,0,0,0|1,0,0]=3 3386 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [1,1,0,0,0,0|1,0,0]=3 3387 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [1,1,0,0,0,0|1,0,0]=3 3388 B7R0.11 CCCC(C)(C)OC 7a_100000748436_200000210301 [1,1,0,0,0,0|1,0,1]=4 3389 B7R0.11 CCCC(C)(C)O[13CH3] 7a_100000748436_200025704644 [1,1,0,0,0,0|1,0,1]=4 3390 B7R0.11 CCCS(=O)(=O)NC 270084a_100102657272_100000211391 [1,1,0,0,0,0|2,0,0]=4 3391 B7R0.11 CCCS(=O)(=O)NC 274078a_100102657272_100000211391 [1,1,0,0,0,0|2,0,0]=4 3392 B7R0.11 CCCS(=O)(=O)NC 40a_100102657272_100000054278 [1,1,0,0,0,0|2,0,0]=4 3393 B7R0.12 C#CC(CCC)OC 34a_200011217317_200000210301 [1,1,0,0,0,0|1,0,1]=4 3394 B7R0.12 C#CC(CCC)OC 7a_200011217317_200000210301 [1,1,0,0,0,0|1,0,1]=4 3395 B7R0.12 C#CC(CCC)O[13CH3] 34a_200011217317_200025704644 [1,1,0,0,0,0|1,0,1]=4 3396 B7R0.12 C#CC(CCC)O[13CH3] 7a_200011217317_200025704644 [1,1,0,0,0,0|1,0,1]=4 3397 B7R0.12 C=CC(CCC)OC 34a_100011216692_200000210301 [1,1,0,0,0,0|1,0,1]=4 3398 B7R0.12 C=CC(CCC)OC 7a_100011216692_200000210301 [1,1,0,0,0,0|1,0,1]=4 3399 B7R0.12 C=CC(CCC)O[13CH3] 34a_100011216692_200025704644 [1,1,0,0,0,0|1,0,1]=4 3400 B7R0.12 C=CC(CCC)O[13CH3] 7a_100011216692_200025704644 [1,1,0,0,0,0|1,0,1]=4 3401 B7R0.12 CCCC(C#N)OC 34a_100000686963_200000210301 [1,1,0,0,0,0|1,0,1]=4 3402 B7R0.12 CCCC(C#N)OC 7a_100000686963_200000210301 [1,1,0,0,0,0|1,0,1]=4 3403 B7R0.12 CCCC(C#N)O[13CH3] 34a_100000686963_200025704644 [1,1,0,0,0,0|1,0,1]=4 3404 B7R0.12 CCCC(C#N)O[13CH3] 7a_100000686963_200025704644 [1,1,0,0,0,0|1,0,1]=4 3405 B7R0.12 CCCC(CC)OC 34a_100000687864_200000210301 [1,1,0,0,0,0|1,0,1]=4 3406 B7R0.12 CCCC(CC)OC 7a_100000687864_200000210301 [1,1,0,0,0,0|1,0,1]=4 3407 B7R0.12 CCCC(CC)O[13CH3] 34a_100000687864_200025704644 [1,1,0,0,0,0|1,0,1]=4 3408 B7R0.12 CCCC(CC)O[13CH3] 7a_100000687864_200025704644 [1,1,0,0,0,0|1,0,1]=4 3409 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [1,1,0,0,0,0|0,0,1]=3 3410 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [1,1,0,0,0,0|0,0,1]=3 3411 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [1,1,0,0,0,0|0,0,1]=3 3412 B7R0.4 C#CCCNC(=O)C 11a_100000755551_100015343762 [1,1,0,0,0,0|0,0,2]=4 3413 B7R0.4 C#CCCNC(=O)C 1626a_100000755551_100015343762 [1,1,0,0,0,0|0,0,2]=4 3414 B7R0.4 C#CCCNC(=O)C 240690a_100000755551_100015343762 [1,1,0,0,0,0|0,0,2]=4 3415 B7R0.4 C#CCCNC(=O)C 527a_100000755551_100103153847 [1,1,0,0,0,0|0,0,2]=4 3416 B7R0.4 C#CCNCC(=O)O 269956a_100016091260_100000184674 [1,1,0,0,0,0|0,0,2]=4 3417 B7R0.4 C#CCOCC(=O)C 1458a_100011251226_200000210301 [1,1,0,0,0,0|0,0,2]=4 3418 B7R0.4 C#CCOCC(=O)C 34a_100000211253_100000184674 [1,1,0,0,0,0|0,0,2]=4 3419 B7R0.4 C#CCOCC(=O)[13CH3] 1458a_100011251226_200025704644 [1,1,0,0,0,0|0,0,2]=4 3420 B7R0.4 C=C(Br)CCOCC 34a_100009813270_100000210202 [1,1,0,0,0,0|1,0,1]=4 3421 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [1,1,0,0,0,0|1,0,0]=3 3422 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [1,1,0,0,0,0|1,0,0]=3 3423 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [1,1,0,0,0,0|1,0,0]=3 3424 B7R0.4 C=C(C)CCOCF 34a_100000764851_100015361967 [1,1,0,0,0,0|2,0,0]=4 3425 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [1,1,0,0,0,0|1,0,0]=3 3426 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [1,1,0,0,0,0|1,0,0]=3 3427 B7R0.4 C=C(C)CCSCF 62a_100000730704_100015361967 [1,1,0,0,0,0|2,0,0]=4 3428 B7R0.4 C=C(C)CCSCF 62a_100015361967_100000730704 [1,1,0,0,0,0|2,0,0]=4 3429 B7R0.4 C=C(C)CNCCF 34a_100000724931_100000748629 [1,1,0,0,0,0|2,0,0]=4 3430 B7R0.4 C=C(C)CNCCO 2230a_100016997473_100000748629 [1,1,0,0,0,0|2,0,0]=4 3431 B7R0.4 C=C(C)CNCCO 34a_100016990907_100000748629 [1,1,0,0,0,0|2,0,0]=4 3432 B7R0.4 C=C(C)COCCBr 34a_100000211926_100000748629 [1,1,0,0,0,0|2,0,0]=4 3433 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [1,1,0,0,0,0|1,0,0]=3 3434 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [1,1,0,0,0,0|1,0,0]=3 3435 B7R0.4 C=C(C)COCCF 34a_100000210245_100011217306 [1,1,0,0,0,0|2,0,0]=4 3436 B7R0.4 C=C(C)COCCN 34a_100000210304_100000748629 [1,1,0,0,0,0|2,0,0]=4 3437 B7R0.4 C=C(C)COCCO 34a_100000210245_100000211926 [1,1,0,0,0,0|2,0,0]=4 3438 B7R0.4 C=C(C)COCSC 34a_100000210245_100011218213 [1,1,0,0,0,0|2,0,0]=4 3439 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [1,1,0,0,0,0|1,0,0]=3 3440 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [1,1,0,0,0,0|1,0,0]=3 3441 B7R0.4 C=C(C)CSCCF 62a_100000748629_100011217306 [1,1,0,0,0,0|2,0,0]=4 3442 B7R0.4 C=C(C)CSCCF 62a_100011217306_100000211660 [1,1,0,0,0,0|2,0,0]=4 3443 B7R0.4 C=C(C)CSCCO 62a_100000211926_100000211660 [1,1,0,0,0,0|2,0,0]=4 3444 B7R0.4 C=C(C)CSCCO 62a_100000748629_100000211926 [1,1,0,0,0,0|2,0,0]=4 3445 B7R0.4 C=C(C)CSCOC 62a_100000748629_100000766300 [1,1,0,0,0,0|2,0,0]=4 3446 B7R0.4 C=C(C)CSCOC 62a_100000766300_100000211660 [1,1,0,0,0,0|2,0,0]=4 3447 B7R0.4 C=C(C)CSCSC 62a_100000748629_100011218213 [1,1,0,0,0,0|2,0,0]=4 3448 B7R0.4 C=C(C)CSCSC 62a_100011218213_100000211660 [1,1,0,0,0,0|2,0,0]=4 3449 B7R0.4 C=C(F)COCCC 34a_100000210258_100009893438 [1,1,0,0,0,0|1,0,1]=4 3450 B7R0.4 C=C(F)COCCC 34a_200010262243_100000210303 [1,1,0,0,0,0|1,0,1]=4 3451 B7R0.4 C=C(F)CSCCC 62a_100000042424_100000210303 [1,1,0,0,0,0|1,0,1]=4 3452 B7R0.4 C=C(F)CSCCC 62a_100000210303_100000042424 [1,1,0,0,0,0|1,0,1]=4 3453 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [1,1,0,0,0,0|0,0,1]=3 3454 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [1,1,0,0,0,0|0,0,1]=3 3455 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [1,1,0,0,0,0|0,0,1]=3 3456 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [1,1,0,0,0,0|0,0,2]=4 3457 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [1,1,0,0,0,0|0,0,2]=4 3458 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [1,1,0,0,0,0|0,0,2]=4 3459 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [1,1,0,0,0,0|0,0,2]=4 3460 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [1,1,0,0,0,0|0,0,2]=4 3461 B7R0.4 C=CCOCC(=O)C 34a_100000211253_100015514636 [1,1,0,0,0,0|0,0,2]=4 3462 B7R0.4 C=CCSCC(=O)C 1458a_100000230395_200000210301 [1,1,0,0,0,0|0,0,2]=4 3463 B7R0.4 C=CCSCC(=O)[13CH3] 1458a_100000230395_200025704644 [1,1,0,0,0,0|0,0,2]=4 3464 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [1,1,0,0,0,0|0,0,2]=4 3465 B7R0.4 CC#CCNC(=O)C 11a_100000685387_100015343762 [1,1,0,0,0,0|0,0,2]=4 3466 B7R0.4 CC#CCNC(=O)C 1626a_100000685387_100015343762 [1,1,0,0,0,0|0,0,2]=4 3467 B7R0.4 CC#CCNC(=O)C 527a_100000685387_100103153847 [1,1,0,0,0,0|0,0,2]=4 3468 B7R0.4 CC(=CCCS[13CH3])C 62a_100011217483_200025704644 [1,1,0,0,0,0|1,0,1]=4 3469 B7R0.4 CC(=CCCS[13CH3])C 62a_200025704644_100011217483 [1,1,0,0,0,0|1,0,1]=4 3470 B7R0.4 CC(=O)CC#CCO 1458a_100000070787_200000047223 [1,1,0,0,0,0|0,0,2]=4 3471 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [1,1,0,0,0,0|0,0,1]=3 3472 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [1,1,0,0,0,0|0,0,1]=3 3473 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [1,1,0,0,0,0|0,0,0]=2 3474 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,1,0,0,0,0|0,0,0]=2 3475 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,1,0,0,0,0|0,0,0]=2 3476 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [1,1,0,0,0,0|0,0,0]=2 3477 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [1,1,0,0,0,0|0,0,0]=2 3478 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [1,1,0,0,0,0|0,0,0]=2 3479 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [1,1,0,0,0,0|0,0,0]=2 3480 B7R0.4 CC(=O)CCN=[N+]=[N-] 1458a_100000688302_200000210301 [1,1,0,0,0,0|2,0,0]=4 3481 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [1,1,0,0,0,0|1,0,0]=3 3482 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [1,1,0,0,0,0|1,0,0]=3 3483 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [1,1,0,0,0,0|1,0,0]=3 3484 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [1,1,0,0,0,0|1,0,0]=3 3485 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [1,1,0,0,0,0|1,0,1]=4 3486 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [1,1,0,0,0,0|1,0,0]=3 3487 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [1,1,0,0,0,0|1,0,0]=3 3488 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [1,1,0,0,0,0|1,0,0]=3 3489 B7R0.4 CC(=O)CSCC#N 1458a_100000150266_200000210301 [1,1,0,0,0,0|1,0,1]=4 3490 B7R0.4 CC(=O)NCCC#N 11a_100000720768_100015343762 [1,1,0,0,0,0|1,0,1]=4 3491 B7R0.4 CC(=O)NCCC#N 1626a_100000720768_100015343762 [1,1,0,0,0,0|1,0,1]=4 3492 B7R0.4 CC(=O)NCCC#N 240690a_100000720768_100015343762 [1,1,0,0,0,0|1,0,1]=4 3493 B7R0.4 CC(=O)NCCC#N 527a_100000720768_100103153847 [1,1,0,0,0,0|1,0,1]=4 3494 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [1,1,0,0,0,0|1,0,0]=3 3495 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [1,1,0,0,0,0|1,0,0]=3 3496 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [1,1,0,0,0,0|1,0,0]=3 3497 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [1,1,0,0,0,0|1,0,0]=3 3498 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [1,1,0,0,0,0|1,0,0]=3 3499 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [1,1,0,0,0,0|1,0,0]=3 3500 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [1,1,0,0,0,0|1,0,0]=3 3501 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [1,1,0,0,0,0|1,0,0]=3 3502 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [1,1,0,0,0,0|1,0,0]=3 3503 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [1,1,0,0,0,0|1,0,0]=3 3504 B7R0.4 CC(=O)NNCCO 22a_100000210001_100000070787 [1,1,0,0,0,0|2,0,0]=4 3505 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [1,1,0,0,0,0|1,0,0]=3 3506 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [1,1,0,0,0,0|1,0,0]=3 3507 B7R0.4 CC(=O)OCSCF 62a_100000076356_100015361967 [1,1,0,0,0,0|2,0,0]=4 3508 B7R0.4 CC(=O)OCSCF 62a_100015361967_100000076356 [1,1,0,0,0,0|2,0,0]=4 3509 B7R0.4 CC(C)CCCN[13CH3] 2230a_200000737386_200025704644 [1,1,0,0,0,0|1,0,1]=4 3510 B7R0.4 CC(C)CCCN[13CH3] 34a_200000737386_200025704644 [1,1,0,0,0,0|1,0,1]=4 3511 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [1,1,0,0,0,0|1,0,1]=4 3512 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [1,1,0,0,0,0|1,0,1]=4 3513 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [1,1,0,0,0,0|1,0,1]=4 3514 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [1,1,0,0,0,0|1,0,1]=4 3515 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [1,1,0,0,0,0|0,0,2]=4 3516 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [1,1,0,0,0,0|0,0,2]=4 3517 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,1,0,0,0,0|0,0,1]=3 3518 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,1,0,0,0,0|0,0,1]=3 3519 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,1,0,0,0,0|0,0,1]=3 3520 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [1,1,0,0,0,0|0,0,1]=3 3521 B7R0.4 CCC=NNC(=O)C 4a_100000189765_100000210100 [1,1,0,0,0,0|1,0,1]=4 3522 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [1,1,0,0,0,0|0,0,1]=3 3523 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [1,1,0,0,0,0|0,0,1]=3 3524 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [1,1,0,0,0,0|0,0,1]=3 3525 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [1,1,0,0,0,0|0,0,1]=3 3526 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,1,0,0,0,0|0,0,0]=2 3527 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,1,0,0,0,0|0,0,0]=2 3528 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,1,0,0,0,0|0,0,0]=2 3529 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [1,1,0,0,0,0|2,0,0]=4 3530 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [1,1,0,0,0,0|2,0,0]=4 3531 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [1,1,0,0,0,0|2,0,0]=4 3532 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [1,1,0,0,0,0|2,0,0]=4 3533 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [1,1,0,0,0,0|2,0,0]=4 3534 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [1,1,0,0,0,0|2,0,0]=4 3535 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,1,0,0,0,0|0,0,0]=2 3536 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,1,0,0,0,0|0,0,0]=2 3537 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,1,0,0,0,0|0,0,0]=2 3538 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,1,0,0,0,0|0,0,0]=2 3539 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [1,1,0,0,0,0|1,0,1]=4 3540 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [1,1,0,0,0,0|1,0,1]=4 3541 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [1,1,0,0,0,0|1,0,1]=4 3542 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [1,1,0,0,0,0|1,0,1]=4 3543 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [1,1,0,0,0,0|1,0,1]=4 3544 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [1,1,0,0,0,0|1,0,1]=4 3545 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [1,1,0,0,0,0|1,0,1]=4 3546 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [1,1,0,0,0,0|1,0,1]=4 3547 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [1,1,0,0,0,0|1,0,1]=4 3548 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [1,1,0,0,0,0|1,0,0]=3 3549 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,1,0,0,0,0|0,0,0]=2 3550 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [1,1,0,0,0,0|1,0,1]=4 3551 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [1,1,0,0,0,0|1,0,1]=4 3552 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [1,1,0,0,0,0|1,0,1]=4 3553 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [1,1,0,0,0,0|0,0,2]=4 3554 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [1,1,0,0,0,0|0,0,2]=4 3555 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [1,1,0,0,0,0|1,0,0]=3 3556 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [1,1,0,0,0,0|0,0,0]=2 3557 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [1,1,0,0,0,0|0,0,0]=2 3558 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [1,1,0,0,0,0|1,0,0]=3 3559 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [1,1,0,0,0,0|0,0,0]=2 3560 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [1,1,0,0,0,0|0,0,1]=3 3561 B7R0.4 CCCOCC(C)Br 34a_100012180447_100000210303 [1,1,0,0,0,0|1,0,1]=4 3562 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [1,1,0,0,0,0|1,0,1]=4 3563 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [1,1,0,0,0,0|1,0,1]=4 3564 B7R0.4 CCCOCC(C)F 34a_100015925927_100000210303 [1,1,0,0,0,0|1,0,1]=4 3565 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [1,1,0,0,0,0|0,0,2]=4 3566 B7R0.4 CCCOC[C@@H](C)Cl 34a_100016084084_100000210303 [1,1,0,0,0,0|1,0,1]=4 3567 B7R0.4 CCCOC[C@@H](C)N 34a_100000737577_100000210303 [1,1,0,0,0,0|1,0,1]=4 3568 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [1,1,0,0,0,0|0,0,2]=4 3569 B7R0.4 CCCOC[N+](=O)[O-] 34a_100000210258_100000761209 [1,1,0,0,0,0|1,0,1]=4 3570 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,1,0,0,0,0|0,0,0]=2 3571 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [1,1,0,0,0,0|1,0,0]=3 3572 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [1,1,0,0,0,0|1,0,0]=3 3573 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,1,0,0,0,0|0,0,0]=2 3574 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [1,1,0,0,0,0|0,0,1]=3 3575 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [1,1,0,0,0,0|0,0,1]=3 3576 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [1,1,0,0,0,0|1,0,1]=4 3577 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [1,1,0,0,0,0|1,0,1]=4 3578 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [1,1,0,0,0,0|0,0,2]=4 3579 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [1,1,0,0,0,0|0,0,2]=4 3580 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [1,1,0,0,0,0|0,0,2]=4 3581 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [1,1,0,0,0,0|0,0,2]=4 3582 B7R0.4 CCCSC[N+](=O)[O-] 62a_100000210303_100000761209 [1,1,0,0,0,0|1,0,1]=4 3583 B7R0.4 CCNCC=C(C)C 2230a_100015525214_100000761012 [1,1,0,0,0,0|1,0,1]=4 3584 B7R0.4 CCNCC=C(C)C 34a_100000718196_100000210202 [1,1,0,0,0,0|1,0,1]=4 3585 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [1,1,0,0,0,0|1,0,0]=3 3586 B7R0.4 CCNCCC(C)C 2230a_100015525214_100000210312 [1,1,0,0,0,0|1,0,1]=4 3587 B7R0.4 CCNCCC(C)C 269862a_100015525214_100000185833 [1,1,0,0,0,0|1,0,1]=4 3588 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [1,1,0,0,0,0|0,0,2]=4 3589 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [1,1,0,0,0,0|0,0,2]=4 3590 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [1,1,0,0,0,0|1,0,0]=3 3591 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [1,1,0,0,0,0|0,0,2]=4 3592 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [1,1,0,0,0,0|0,0,2]=4 3593 B7R0.4 CCOCC=C(C)C 34a_100000753907_100000210202 [1,1,0,0,0,0|1,0,1]=4 3594 B7R0.4 CCOCC=C(C)C 34a_100121572206_100000761012 [1,1,0,0,0,0|1,0,1]=4 3595 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,1,0,0,0,0|0,0,0]=2 3596 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,1,0,0,0,0|0,0,0]=2 3597 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,1,0,0,0,0|0,0,0]=2 3598 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,1,0,0,0,0|0,0,0]=2 3599 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [1,1,0,0,0,0|1,0,0]=3 3600 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [1,1,0,0,0,0|1,0,0]=3 3601 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [1,1,0,0,0,0|1,0,0]=3 3602 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,1,0,0,0,0|0,0,0]=2 3603 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [1,1,0,0,0,0|1,0,1]=4 3604 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [1,1,0,0,0,0|1,0,1]=4 3605 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [1,1,0,0,0,0|1,0,1]=4 3606 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [1,1,0,0,0,0|1,0,1]=4 3607 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [1,1,0,0,0,0|0,0,2]=4 3608 B7R0.4 CCOCCN(C)C 2230a_100102631434_100011215890 [1,1,0,0,0,0|2,0,0]=4 3609 B7R0.4 CCOCCN(C)C 269982a_100102631434_100011215890 [1,1,0,0,0,0|2,0,0]=4 3610 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [1,1,0,0,0,0|1,0,1]=4 3611 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [1,1,0,0,0,0|1,0,0]=3 3612 B7R0.4 CCSCC=C(C)C 62a_100000210202_100000761012 [1,1,0,0,0,0|1,0,1]=4 3613 B7R0.4 CCSCC=C(C)C 62a_100000761012_100000210202 [1,1,0,0,0,0|1,0,1]=4 3614 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [1,1,0,0,0,0|0,0,0]=2 3615 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [1,1,0,0,0,0|0,0,0]=2 3616 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [1,1,0,0,0,0|0,0,0]=2 3617 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [1,1,0,0,0,0|0,0,0]=2 3618 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [1,1,0,0,0,0|1,0,0]=3 3619 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [1,1,0,0,0,0|1,0,0]=3 3620 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [1,1,0,0,0,0|0,0,0]=2 3621 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [1,1,0,0,0,0|1,0,1]=4 3622 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [1,1,0,0,0,0|1,0,1]=4 3623 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [1,1,0,0,0,0|0,0,2]=4 3624 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [1,1,0,0,0,0|0,0,2]=4 3625 B7R0.4 CCSCCN(C)C 2230a_100102631434_100000757381 [1,1,0,0,0,0|2,0,0]=4 3626 B7R0.4 CCSCCN(C)C 269982a_100102631434_100000757381 [1,1,0,0,0,0|2,0,0]=4 3627 B7R0.4 CCSCCN(C)C 62a_100000210202_100000755713 [1,1,0,0,0,0|2,0,0]=4 3628 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [1,1,0,0,0,0|1,0,0]=3 3629 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [1,1,0,0,0,0|1,0,0]=3 3630 B7R0.4 CN(C)CCCCF 2230a_100102631434_100000729493 [1,1,0,0,0,0|2,0,0]=4 3631 B7R0.4 CN(C)CCCCF 269982a_100102631434_100000729493 [1,1,0,0,0,0|2,0,0]=4 3632 B7R0.4 CN(C)CCCCO 2230a_100000717598_200000210301 [1,1,0,0,0,0|2,0,0]=4 3633 B7R0.4 CN(C)CCCCO 2230a_100102631434_100000210776 [1,1,0,0,0,0|2,0,0]=4 3634 B7R0.4 CN(C)CCCCO 269982a_100000717598_200000210301 [1,1,0,0,0,0|2,0,0]=4 3635 B7R0.4 CN(C)CCCCO 269982a_100102631434_100000210776 [1,1,0,0,0,0|2,0,0]=4 3636 B7R0.4 CN(C)CCCS[13CH3] 62a_200025704644_100000757444 [1,1,0,0,0,0|2,0,0]=4 3637 B7R0.4 CN([13CH3])CCCCO 2230a_100000717598_200025704644 [1,1,0,0,0,0|2,0,0]=4 3638 B7R0.4 CN([13CH3])CCCCO 269982a_100000717598_200025704644 [1,1,0,0,0,0|2,0,0]=4 3639 B7R0.4 CNCCC=C(C)C 2230a_106832991635_100011217483 [1,1,0,0,0,0|1,0,1]=4 3640 B7R0.4 CNCCC=C(C)C 34a_100102657272_100011217483 [1,1,0,0,0,0|1,0,1]=4 3641 B7R0.4 CNCCC=C(C)C 7a_106832991635_100011217483 [1,1,0,0,0,0|1,0,1]=4 3642 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [1,1,0,0,0,0|0,0,0]=2 3643 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [1,1,0,0,0,0|0,0,0]=2 3644 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [1,1,0,0,0,0|1,0,0]=3 3645 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [1,1,0,0,0,0|1,0,0]=3 3646 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [1,1,0,0,0,0|1,0,0]=3 3647 B7R0.4 CNCCCC(C)C 2230a_106832991635_100011214892 [1,1,0,0,0,0|1,0,1]=4 3648 B7R0.4 CNCCCC(C)C 2230a_200000737386_200000210301 [1,1,0,0,0,0|1,0,1]=4 3649 B7R0.4 CNCCCC(C)C 34a_100102657272_100011214892 [1,1,0,0,0,0|1,0,1]=4 3650 B7R0.4 CNCCCC(C)C 34a_200000737386_200000210301 [1,1,0,0,0,0|1,0,1]=4 3651 B7R0.4 CNCCCC(C)C 7a_106832991635_100011214892 [1,1,0,0,0,0|1,0,1]=4 3652 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [1,1,0,0,0,0|0,0,2]=4 3653 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [1,1,0,0,0,0|0,0,2]=4 3654 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [1,1,0,0,0,0|0,0,2]=4 3655 B7R0.4 CNCCCN(C)C 7a_106832991635_100000757444 [1,1,0,0,0,0|2,0,0]=4 3656 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [1,1,0,0,0,0|1,0,0]=3 3657 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [1,1,0,0,0,0|1,0,0]=3 3658 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [1,1,0,0,0,0|1,0,0]=3 3659 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [1,1,0,0,0,0|1,0,0]=3 3660 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [1,1,0,0,0,0|2,0,0]=4 3661 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [1,1,0,0,0,0|2,0,0]=4 3662 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [1,1,0,0,0,0|2,0,0]=4 3663 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [1,1,0,0,0,0|1,0,0]=3 3664 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [1,1,0,0,0,0|1,0,0]=3 3665 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [1,1,0,0,0,0|2,0,0]=4 3666 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [1,1,0,0,0,0|2,0,0]=4 3667 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [1,1,0,0,0,0|0,0,2]=4 3668 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [1,1,0,0,0,0|0,0,2]=4 3669 B7R0.4 COCCC=C(C)C 34a_100138415774_100011217483 [1,1,0,0,0,0|1,0,1]=4 3670 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [1,1,0,0,0,0|0,0,0]=2 3671 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [1,1,0,0,0,0|0,0,0]=2 3672 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [1,1,0,0,0,0|0,0,0]=2 3673 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [1,1,0,0,0,0|0,0,0]=2 3674 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [1,1,0,0,0,0|0,0,0]=2 3675 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [1,1,0,0,0,0|1,0,0]=3 3676 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [1,1,0,0,0,0|0,0,0]=2 3677 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [1,1,0,0,0,0|1,0,1]=4 3678 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [1,1,0,0,0,0|1,0,1]=4 3679 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [1,1,0,0,0,0|1,0,1]=4 3680 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [1,1,0,0,0,0|0,0,2]=4 3681 B7R0.4 COCCCN(C)C 2230a_100000224831_200000210301 [1,1,0,0,0,0|2,0,0]=4 3682 B7R0.4 COCCCN(C)C 2230a_100102631434_100000740836 [1,1,0,0,0,0|2,0,0]=4 3683 B7R0.4 COCCCN(C)C 269982a_100000224831_200000210301 [1,1,0,0,0,0|2,0,0]=4 3684 B7R0.4 COCCCN(C)C 269982a_100102631434_100000740836 [1,1,0,0,0,0|2,0,0]=4 3685 B7R0.4 COCCCN(C)[13CH3] 2230a_100000224831_200025704644 [1,1,0,0,0,0|2,0,0]=4 3686 B7R0.4 COCCCN(C)[13CH3] 269982a_100000224831_200025704644 [1,1,0,0,0,0|2,0,0]=4 3687 B7R0.4 COCCC[N+](=O)[O-] 34a_200000037920_200000210301 [1,1,0,0,0,0|1,0,1]=4 3688 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [1,1,0,0,0,0|1,0,0]=3 3689 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [1,1,0,0,0,0|1,0,0]=3 3690 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [1,1,0,0,0,0|1,0,0]=3 3691 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [1,1,0,0,0,0|1,0,0]=3 3692 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [1,1,0,0,0,0|2,0,0]=4 3693 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [1,1,0,0,0,0|1,0,0]=3 3694 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [1,1,0,0,0,0|2,0,0]=4 3695 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [1,1,0,0,0,0|2,0,0]=4 3696 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [1,1,0,0,0,0|2,0,0]=4 3697 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [1,1,0,0,0,0|1,0,0]=3 3698 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [1,1,0,0,0,0|2,0,0]=4 3699 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [1,1,0,0,0,0|2,0,0]=4 3700 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [1,1,0,0,0,0|1,0,1]=4 3701 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [1,1,0,0,0,0|1,0,1]=4 3702 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [1,1,0,0,0,0|1,0,0]=3 3703 B7R0.4 CSCCC=C(C)C 62a_100011217483_200000210301 [1,1,0,0,0,0|1,0,1]=4 3704 B7R0.4 CSCCC=C(C)C 62a_200000210301_100011217483 [1,1,0,0,0,0|1,0,1]=4 3705 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [1,1,0,0,0,0|0,0,0]=2 3706 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [1,1,0,0,0,0|0,0,0]=2 3707 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [1,1,0,0,0,0|0,0,0]=2 3708 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [1,1,0,0,0,0|1,0,0]=3 3709 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [1,1,0,0,0,0|1,0,0]=3 3710 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [1,1,0,0,0,0|0,0,0]=2 3711 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [1,1,0,0,0,0|1,0,1]=4 3712 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [1,1,0,0,0,0|1,0,1]=4 3713 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [1,1,0,0,0,0|0,0,2]=4 3714 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [1,1,0,0,0,0|0,0,2]=4 3715 B7R0.4 CSCCCN(C)C 62a_200000210301_100000757444 [1,1,0,0,0,0|2,0,0]=4 3716 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [1,1,0,0,0,0|1,0,0]=3 3717 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [1,1,0,0,0,0|1,0,0]=3 3718 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [1,1,0,0,0,0|1,0,0]=3 3719 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [1,1,0,0,0,0|1,0,0]=3 3720 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [1,1,0,0,0,0|1,0,0]=3 3721 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [1,1,0,0,0,0|1,0,0]=3 3722 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [1,1,0,0,0,0|2,0,0]=4 3723 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [1,1,0,0,0,0|2,0,0]=4 3724 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [1,1,0,0,0,0|1,0,0]=3 3725 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [1,1,0,0,0,0|1,0,0]=3 3726 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [1,1,0,0,0,0|2,0,0]=4 3727 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [1,1,0,0,0,0|2,0,0]=4 3728 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [1,1,0,0,0,0|2,0,0]=4 3729 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [1,1,0,0,0,0|1,0,0]=3 3730 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [1,1,0,0,0,0|1,0,0]=3 3731 B7R0.4 CSCSCC(=O)N 62a_100000747473_100011218213 [1,1,0,0,0,0|2,0,0]=4 3732 B7R0.4 CSCSCC(=O)N 62a_100011218213_100000747473 [1,1,0,0,0,0|2,0,0]=4 3733 B7R0.4 CSCSCC(=O)[O-] 62a_100011218213_100020667443 [1,1,0,0,0,0|1,0,1]=4 3734 B7R0.4 CSCSCC(=O)[O-] 62a_100020667443_100011218213 [1,1,0,0,0,0|1,0,1]=4 3735 B7R0.4 N#CCNCC(=O)O 269956a_100016091260_100011215382 [1,1,0,0,0,0|1,0,1]=4 3736 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [1,1,0,0,0,0|2,0,0]=4 3737 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [1,1,0,0,0,0|2,0,0]=4 3738 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [1,1,0,0,0,0|2,0,0]=4 3739 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [1,1,0,0,0,0|2,0,0]=4 3740 B7R0.4 NC(=O)CNCCF 2230a_100000711301_100011217306 [1,1,0,0,0,0|2,0,0]=4 3741 B7R0.4 NC(=O)CNCCF 34a_100000724931_100000187820 [1,1,0,0,0,0|2,0,0]=4 3742 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [1,1,0,0,0,0|2,0,0]=4 3743 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [1,1,0,0,0,0|2,0,0]=4 3744 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [1,1,0,0,0,0|2,0,0]=4 3745 B7R0.4 NC(=O)COCCBr 34a_100000211926_100000187820 [1,1,0,0,0,0|2,0,0]=4 3746 B7R0.4 NC(=O)CSCCF 62a_100000747473_100011217306 [1,1,0,0,0,0|2,0,0]=4 3747 B7R0.4 NC(=O)CSCCF 62a_100011217306_100000747473 [1,1,0,0,0,0|2,0,0]=4 3748 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [1,1,0,0,0,0|2,0,0]=4 3749 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [1,1,0,0,0,0|2,0,0]=4 3750 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [1,1,0,0,0,0|2,0,0]=4 3751 B7R0.4 NCCOCC(=O)[O-] 34a_100000210304_100020667443 [1,1,0,0,0,0|1,0,1]=4 3752 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [1,1,0,0,0,0|1,0,0]=3 3753 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [1,1,0,0,0,0|1,0,0]=3 3754 B7R0.4 O=C(O)CONCF 269956a_100000106656_100015361967 [1,1,0,0,0,0|2,0,0]=4 3755 B7R0.4 O=C([O-])CNCCF 34a_100000724931_100020667443 [1,1,0,0,0,0|1,0,1]=4 3756 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [1,1,0,0,0,0|1,0,1]=4 3757 B7R0.4 O=C([O-])COCCBr 34a_100000211926_100020667443 [1,1,0,0,0,0|1,0,1]=4 3758 B7R0.4 O=C([O-])CSCCF 62a_100011217306_100020667443 [1,1,0,0,0,0|1,0,1]=4 3759 B7R0.4 O=C([O-])CSCCF 62a_100020667443_100011217306 [1,1,0,0,0,0|1,0,1]=4 3760 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [1,1,0,0,0,0|1,0,1]=4 3761 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [1,1,0,0,0,0|1,0,1]=4 3762 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [1,1,0,0,0,0|1,0,1]=4 3763 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [1,1,0,0,0,0|0,0,1]=3 3764 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,1,0,0,0,0|0,0,0]=2 3765 B7R0.4 [13CH3]C(=O)CCN=[N+]=[N-] 1458a_100000688302_200025704644 [1,1,0,0,0,0|2,0,0]=4 3766 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [1,1,0,0,0,0|1,0,0]=3 3767 B7R0.4 [13CH3]C(=O)CSCC#N 1458a_100000150266_200025704644 [1,1,0,0,0,0|1,0,1]=4 3768 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [1,1,0,0,0,0|1,0,0]=3 3769 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [1,1,0,0,0,0|2,0,0]=4 3770 B7R0.4 [13CH3]OCCC[N+](=O)[O-] 34a_200000037920_200025704644 [1,1,0,0,0,0|1,0,1]=4 3771 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [1,1,0,0,0,0|2,0,0]=4 3772 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [1,1,0,0,0,0|2,0,0]=4 3773 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [1,1,0,0,0,0|1,0,0]=3 3774 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [1,1,0,0,0,0|1,0,0]=3 3775 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [1,1,0,0,0,0|2,0,0]=4 3776 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [1,1,0,0,0,0|2,0,0]=4 3777 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [1,1,0,0,0,0|2,0,0]=4 3778 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [1,1,0,0,0,0|2,0,0]=4 3779 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [1,1,0,0,0,0|0,0,1]=3 3780 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [1,1,0,0,0,0|0,0,1]=3 3781 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [1,1,0,0,0,0|0,0,1]=3 3782 B7R0.6 C=C(C)CCN(C)C 2230a_100102631434_100000730704 [1,1,0,0,0,0|2,0,0]=4 3783 B7R0.6 C=C(C)CCN(C)C 269982a_100102631434_100000730704 [1,1,0,0,0,0|2,0,0]=4 3784 B7R0.6 C=C(C)CNC(=O)C 11a_100000765925_100015343762 [1,1,0,0,0,0|1,0,1]=4 3785 B7R0.6 C=C(C)CNC(=O)C 1626a_100000765925_100015343762 [1,1,0,0,0,0|1,0,1]=4 3786 B7R0.6 C=C(C)CNC(=O)C 240690a_100000765925_100015343762 [1,1,0,0,0,0|1,0,1]=4 3787 B7R0.6 C=C(C)CNC(=O)C 527a_100000765925_100103153847 [1,1,0,0,0,0|1,0,1]=4 3788 B7R0.6 C=C(C)CNC(C)C 2230a_100138425928_100000748629 [1,1,0,0,0,0|2,0,0]=4 3789 B7R0.6 C=C(C)CNC(C)C 34a_100138425928_100000748629 [1,1,0,0,0,0|2,0,0]=4 3790 B7R0.6 C=C(C)COC(C)C 34a_100000210245_100000210206 [1,1,0,0,0,0|2,0,0]=4 3791 B7R0.6 C=C(C)COC(C)C 34a_100000212225_100000748629 [1,1,0,0,0,0|2,0,0]=4 3792 B7R0.6 C=C(C)CSC(C)C 62a_100000210206_100000211660 [1,1,0,0,0,0|2,0,0]=4 3793 B7R0.6 C=C(C)CSC(C)C 62a_100000748629_100000210206 [1,1,0,0,0,0|2,0,0]=4 3794 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [1,1,0,0,0,0|0,0,2]=4 3795 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [1,1,0,0,0,0|0,0,2]=4 3796 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [1,1,0,0,0,0|0,0,2]=4 3797 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [1,1,0,0,0,0|0,0,2]=4 3798 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [1,1,0,0,0,0|1,0,1]=4 3799 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [1,1,0,0,0,0|0,0,0]=2 3800 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [1,1,0,0,0,0|0,0,0]=2 3801 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [1,1,0,0,0,0|0,0,0]=2 3802 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [1,1,0,0,0,0|1,0,0]=3 3803 B7R0.6 CC(=O)CC[N+](=O)[O-] 1458a_200000064761_200000210301 [1,1,0,0,0,0|2,0,0]=4 3804 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [1,1,0,0,0,0|1,0,0]=3 3805 B7R0.6 CC(=O)CNC(=O)C 1458a_100000194580_200000210301 [1,1,0,0,0,0|1,0,1]=4 3806 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [1,1,0,0,0,0|1,0,1]=4 3807 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [1,1,0,0,0,0|1,0,0]=3 3808 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [1,1,0,0,0,0|1,0,0]=3 3809 B7R0.6 CC(=O)COC(F)F 1458a_200000719455_200000210301 [1,1,0,0,0,0|2,0,0]=4 3810 B7R0.6 CC(=O)CSC(=O)C 1458a_100000049016_200000210301 [1,1,0,0,0,0|1,0,1]=4 3811 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [1,1,0,0,0,0|1,0,0]=3 3812 B7R0.6 CC(=O)CSC(F)F 1458a_114828291038_200000210301 [1,1,0,0,0,0|2,0,0]=4 3813 B7R0.6 CC(=O)NCC(=O)[13CH3] 1458a_100000194580_200025704644 [1,1,0,0,0,0|1,0,1]=4 3814 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [1,1,0,0,0,0|1,0,0]=3 3815 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [1,1,0,0,0,0|1,0,0]=3 3816 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [1,1,0,0,0,0|1,0,0]=3 3817 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [1,1,0,0,0,0|1,0,0]=3 3818 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [1,1,0,0,0,0|1,0,0]=3 3819 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [1,1,0,0,0,0|1,0,0]=3 3820 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [1,1,0,0,0,0|1,0,0]=3 3821 B7R0.6 CC(=O)NCC(F)F 11a_100000765723_100015343762 [1,1,0,0,0,0|2,0,0]=4 3822 B7R0.6 CC(=O)NCC(F)F 1626a_100000765723_100015343762 [1,1,0,0,0,0|2,0,0]=4 3823 B7R0.6 CC(=O)NCC(F)F 240690a_100000765723_100015343762 [1,1,0,0,0,0|2,0,0]=4 3824 B7R0.6 CC(=O)NCC(F)F 527a_100000765723_100103153847 [1,1,0,0,0,0|2,0,0]=4 3825 B7R0.6 CC(=O)NNC(C)C 22a_100000741168_100000070787 [1,1,0,0,0,0|2,0,0]=4 3826 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [1,1,0,0,0,0|1,0,1]=4 3827 B7R0.6 CC(=O)OCN(C)C 269982a_100102631434_100000076356 [1,1,0,0,0,0|2,0,0]=4 3828 B7R0.6 CC(=O)SCC(=O)[13CH3] 1458a_100000049016_200025704644 [1,1,0,0,0,0|1,0,1]=4 3829 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [1,1,0,0,0,0|0,0,2]=4 3830 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [1,1,0,0,0,0|0,0,0]=2 3831 B7R0.6 CC(C)CCN(C)C 2230a_100000742789_200000210301 [1,1,0,0,0,0|2,0,0]=4 3832 B7R0.6 CC(C)CCN(C)C 2230a_100102631434_100000210312 [1,1,0,0,0,0|2,0,0]=4 3833 B7R0.6 CC(C)CCN(C)C 269982a_100000742789_200000210301 [1,1,0,0,0,0|2,0,0]=4 3834 B7R0.6 CC(C)CCN(C)C 269982a_100102631434_100000210312 [1,1,0,0,0,0|2,0,0]=4 3835 B7R0.6 CC(C)CCN(C)[13CH3] 2230a_100000742789_200025704644 [1,1,0,0,0,0|2,0,0]=4 3836 B7R0.6 CC(C)CCN(C)[13CH3] 269982a_100000742789_200025704644 [1,1,0,0,0,0|2,0,0]=4 3837 B7R0.6 CC(C)NCC(=O)N 2230a_100000711301_100000210206 [1,1,0,0,0,0|2,0,0]=4 3838 B7R0.6 CC(C)NCC(=O)N 2230a_100138425928_100000747473 [1,1,0,0,0,0|2,0,0]=4 3839 B7R0.6 CC(C)NCC(=O)N 34a_100138425928_100000187820 [1,1,0,0,0,0|2,0,0]=4 3840 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [1,1,0,0,0,0|1,0,0]=3 3841 B7R0.6 CC(C)NCC(=O)[O-] 34a_100138425928_100020667443 [1,1,0,0,0,0|1,0,1]=4 3842 B7R0.6 CC(C)OCC(=O)N 34a_100000212225_100000187820 [1,1,0,0,0,0|2,0,0]=4 3843 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [1,1,0,0,0,0|1,0,0]=3 3844 B7R0.6 CC(C)OCC(=O)[O-] 34a_100000212225_100020667443 [1,1,0,0,0,0|1,0,1]=4 3845 B7R0.6 CC(C)SCC(=O)N 62a_100000210206_100000747473 [1,1,0,0,0,0|2,0,0]=4 3846 B7R0.6 CC(C)SCC(=O)N 62a_100000747473_100000210206 [1,1,0,0,0,0|2,0,0]=4 3847 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [1,1,0,0,0,0|1,0,0]=3 3848 B7R0.6 CC(C)SCC(=O)[O-] 62a_100000210206_100020667443 [1,1,0,0,0,0|1,0,1]=4 3849 B7R0.6 CC(C)SCC(=O)[O-] 62a_100020667443_100000210206 [1,1,0,0,0,0|1,0,1]=4 3850 B7R0.6 CC(O)CCN(C)C 2230a_100102631434_100012276601 [1,1,0,0,0,0|2,0,0]=4 3851 B7R0.6 CC(O)CCN(C)C 269982a_100102631434_100012276601 [1,1,0,0,0,0|2,0,0]=4 3852 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [1,1,0,0,0,0|2,0,0]=4 3853 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [1,1,0,0,0,0|2,0,0]=4 3854 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [1,1,0,0,0,0|2,0,0]=4 3855 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [1,1,0,0,0,0|2,0,0]=4 3856 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [1,1,0,0,0,0|1,0,0]=3 3857 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [1,1,0,0,0,0|1,0,1]=4 3858 B7R0.6 [13CH3]C(=O)CC[N+](=O)[O-] 1458a_200000064761_200025704644 [1,1,0,0,0,0|2,0,0]=4 3859 B7R0.6 [13CH3]C(=O)COC(F)F 1458a_200000719455_200025704644 [1,1,0,0,0,0|2,0,0]=4 3860 B7R0.6 [13CH3]C(=O)CSC(F)F 1458a_114828291038_200025704644 [1,1,0,0,0,0|2,0,0]=4 3861 B7R0.8 CCCNS(=O)(=O)C 40a_100020643023_100000738038 [1,1,0,0,0,0|2,0,0]=4 3862 B7R0.8 CNCCS(=O)(=O)C 2230a_100000740961_200000210301 [1,1,0,0,0,0|2,0,0]=4 3863 B7R0.8 CNCCS(=O)(=O)C 2230a_106832991635_100000731031 [1,1,0,0,0,0|2,0,0]=4 3864 B7R0.8 CNCCS(=O)(=O)C 34a_100000740961_200000210301 [1,1,0,0,0,0|2,0,0]=4 3865 B7R0.8 CNCCS(=O)(=O)C 34a_100102657272_100000731031 [1,1,0,0,0,0|2,0,0]=4 3866 B7R0.8 CNCCS(=O)(=O)C 7a_106832991635_100000230027 [1,1,0,0,0,0|2,0,0]=4 3867 B7R0.8 COCCS(=O)(=O)C 34a_100000211924_200000210301 [1,1,0,0,0,0|2,0,0]=4 3868 B7R0.8 COCCS(=O)(=O)C 34a_100138415774_100000731031 [1,1,0,0,0,0|2,0,0]=4 3869 B7R0.8 COCCS(=O)(=O)C 7a_100000211924_200000210301 [1,1,0,0,0,0|2,0,0]=4 3870 B7R0.8 CS(=O)(=O)CCN[13CH3] 2230a_100000740961_200025704644 [1,1,0,0,0,0|2,0,0]=4 3871 B7R0.8 CS(=O)(=O)CCN[13CH3] 34a_100000740961_200025704644 [1,1,0,0,0,0|2,0,0]=4 3872 B7R0.8 CS(=O)(=O)CCO[13CH3] 34a_100000211924_200025704644 [1,1,0,0,0,0|2,0,0]=4 3873 B7R0.8 CS(=O)(=O)CCO[13CH3] 7a_100000211924_200025704644 [1,1,0,0,0,0|2,0,0]=4 3874 B7R0.8 CS(=O)(=O)CCS[13CH3] 62a_100000731031_200025704644 [1,1,0,0,0,0|2,0,0]=4 3875 B7R0.8 CS(=O)(=O)CCS[13CH3] 62a_200025704644_100000230027 [1,1,0,0,0,0|2,0,0]=4 3876 B7R0.8 CSCCS(=O)(=O)C 62a_100000731031_200000210301 [1,1,0,0,0,0|2,0,0]=4 3877 B7R0.8 CSCCS(=O)(=O)C 62a_200000210301_100000230027 [1,1,0,0,0,0|2,0,0]=4 3878 B7R0.1 C#CCCCCOC 34a_100000766709_200000210301 [1,1,0,0,0,0|0,0,2]=4 3879 B7R0.1 C#CCCCCOC 34a_100138415774_100010269958 [1,1,0,0,0,0|0,0,2]=4 3880 B7R0.1 C#CCCCCOC 7a_100000766709_200000210301 [1,1,0,0,0,0|0,0,2]=4 3881 B7R0.1 C#CCCCCO[13CH3] 34a_100000766709_200025704644 [1,1,0,0,0,0|0,0,2]=4 3882 B7R0.1 C#CCCCCO[13CH3] 7a_100000766709_200025704644 [1,1,0,0,0,0|0,0,2]=4 3883 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [1,1,0,0,0,0|1,0,0]=3 3884 B7R0.1 C/C=C/CCOCF 34a_100016278192_100015361967 [1,1,0,0,0,0|2,0,0]=4 3885 B7R0.1 C/C=C/CNCCF 34a_100000724931_100102629194 [1,1,0,0,0,0|2,0,0]=4 3886 B7R0.1 C/C=C/CNCCO 34a_100016990907_100102629194 [1,1,0,0,0,0|2,0,0]=4 3887 B7R0.1 C/C=C/COCCBr 34a_100000211926_100102629194 [1,1,0,0,0,0|2,0,0]=4 3888 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [1,1,0,0,0,0|1,0,0]=3 3889 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [1,1,0,0,0,0|1,0,0]=3 3890 B7R0.1 C/C=C/COCCF 34a_100016270725_100011217306 [1,1,0,0,0,0|2,0,0]=4 3891 B7R0.1 C/C=C/COCCN 34a_100000210304_100102629194 [1,1,0,0,0,0|2,0,0]=4 3892 B7R0.1 C/C=C/COCCO 34a_100016270725_100000211926 [1,1,0,0,0,0|2,0,0]=4 3893 B7R0.1 C/C=C/COCSC 34a_100016270725_100011218213 [1,1,0,0,0,0|2,0,0]=4 3894 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [1,1,0,0,0,0|1,0,0]=3 3895 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [1,1,0,0,0,0|1,0,0]=3 3896 B7R0.1 C/C=C/CSCCF 62a_100011217306_100102629194 [1,1,0,0,0,0|2,0,0]=4 3897 B7R0.1 C/C=C/CSCCF 62a_100102629194_100011217306 [1,1,0,0,0,0|2,0,0]=4 3898 B7R0.1 C/C=C/CSCCO 62a_100000211926_100102629194 [1,1,0,0,0,0|2,0,0]=4 3899 B7R0.1 C/C=C/CSCCO 62a_100102629194_100000211926 [1,1,0,0,0,0|2,0,0]=4 3900 B7R0.1 C/C=C/CSCOC 62a_100000766300_100102629194 [1,1,0,0,0,0|2,0,0]=4 3901 B7R0.1 C/C=C/CSCOC 62a_100102629194_100000766300 [1,1,0,0,0,0|2,0,0]=4 3902 B7R0.1 C/C=C/CSCSC 62a_100011218213_100102629194 [1,1,0,0,0,0|2,0,0]=4 3903 B7R0.1 C/C=C/CSCSC 62a_100102629194_100011218213 [1,1,0,0,0,0|2,0,0]=4 3904 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [1,1,0,0,0,0|0,0,2]=4 3905 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [1,1,0,0,0,0|0,0,2]=4 3906 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [1,1,0,0,0,0|0,0,2]=4 3907 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [1,1,0,0,0,0|0,0,2]=4 3908 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [1,1,0,0,0,0|0,0,2]=4 3909 B7R0.1 CC#CCCOCC 34a_100000750427_100000210202 [1,1,0,0,0,0|1,0,1]=4 3910 B7R0.1 CC#CCNCCC 2230a_100000685387_100000210303 [1,1,0,0,0,0|1,0,1]=4 3911 B7R0.1 CC#CCNCCC 34a_100000685387_100000210303 [1,1,0,0,0,0|1,0,1]=4 3912 B7R0.1 CC#CCOCCC 34a_100000210258_100000748600 [1,1,0,0,0,0|1,0,1]=4 3913 B7R0.1 CC#CCOCCC 34a_100000761923_100000210303 [1,1,0,0,0,0|1,0,1]=4 3914 B7R0.1 CC#CCSCCC 62a_100000210303_100000748600 [1,1,0,0,0,0|1,0,1]=4 3915 B7R0.1 CC#CCSCCC 62a_100000748600_100000210303 [1,1,0,0,0,0|1,0,1]=4 3916 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [1,1,0,0,0,0|1,0,1]=4 3917 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [1,1,0,0,0,0|1,0,1]=4 3918 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [1,1,0,0,0,0|1,0,1]=4 3919 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [1,1,0,0,0,0|0,0,2]=4 3920 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [1,1,0,0,0,0|0,0,2]=4 3921 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [1,1,0,0,0,0|0,0,2]=4 3922 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [1,1,0,0,0,0|0,0,2]=4 3923 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [1,1,0,0,0,0|0,0,2]=4 3924 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [1,1,0,0,0,0|1,0,1]=4 3925 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [1,1,0,0,0,0|1,0,1]=4 3926 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [1,1,0,0,0,0|1,0,1]=4 3927 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [1,1,0,0,0,0|1,0,1]=4 3928 B7R0.1 CC/C=C\CNCC 2230a_100015525214_100103147603 [1,1,0,0,0,0|1,0,1]=4 3929 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [1,1,0,0,0,0|1,0,1]=4 3930 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [1,1,0,0,0,0|1,0,1]=4 3931 B7R0.1 CC/C=C\CSCC 62a_100000210202_100103147603 [1,1,0,0,0,0|1,0,1]=4 3932 B7R0.1 CC/C=C\CSCC 62a_100103147603_100000210202 [1,1,0,0,0,0|1,0,1]=4 3933 B7R0.1 CC=C=CCCOC 34a_100011020354_200000210301 [1,1,0,0,0,0|2,0,0]=4 3934 B7R0.1 CC=C=CCCO[13CH3] 34a_100011020354_200025704644 [1,1,0,0,0,0|2,0,0]=4 3935 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [1,1,0,0,0,0|1,0,0]=3 3936 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [1,1,0,0,0,0|1,0,0]=3 3937 B7R0.1 CC=CCNCCF 34a_100000724931_100000070051 [1,1,0,0,0,0|2,0,0]=4 3938 B7R0.1 CC=CCNCCO 2230a_100016997473_100000070051 [1,1,0,0,0,0|2,0,0]=4 3939 B7R0.1 CC=CCNCCO 34a_100016990907_100000070051 [1,1,0,0,0,0|2,0,0]=4 3940 B7R0.1 CC=CCOCCBr 34a_100000211926_100000070051 [1,1,0,0,0,0|2,0,0]=4 3941 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [1,1,0,0,0,0|1,0,0]=3 3942 B7R0.1 CC=CCOCCN 34a_100000210304_100000070051 [1,1,0,0,0,0|2,0,0]=4 3943 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [1,1,0,0,0,0|1,0,0]=3 3944 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [1,1,0,0,0,0|1,0,0]=3 3945 B7R0.1 CC=CCSCCF 62a_100000070051_100011217306 [1,1,0,0,0,0|2,0,0]=4 3946 B7R0.1 CC=CCSCCF 62a_100011217306_100000070051 [1,1,0,0,0,0|2,0,0]=4 3947 B7R0.1 CC=CCSCCO 62a_100000070051_100000211926 [1,1,0,0,0,0|2,0,0]=4 3948 B7R0.1 CC=CCSCCO 62a_100000211926_100000070051 [1,1,0,0,0,0|2,0,0]=4 3949 B7R0.1 CC=CCSCOC 62a_100000070051_100000766300 [1,1,0,0,0,0|2,0,0]=4 3950 B7R0.1 CC=CCSCOC 62a_100000766300_100000070051 [1,1,0,0,0,0|2,0,0]=4 3951 B7R0.1 CC=CCSCSC 62a_100000070051_100011218213 [1,1,0,0,0,0|2,0,0]=4 3952 B7R0.1 CC=CCSCSC 62a_100011218213_100000070051 [1,1,0,0,0,0|2,0,0]=4 3953 B7R0.1 CC=NNCCCC 4a_100025702795_200000210099 [1,1,0,0,0,0|2,0,0]=4 3954 B7R0.1 CCC#CCCOC 34a_100000036655_200000210301 [1,1,0,0,0,0|0,0,2]=4 3955 B7R0.1 CCC#CCCOC 7a_100000036655_200000210301 [1,1,0,0,0,0|0,0,2]=4 3956 B7R0.1 CCC#CCCO[13CH3] 34a_100000036655_200025704644 [1,1,0,0,0,0|0,0,2]=4 3957 B7R0.1 CCC#CCCO[13CH3] 7a_100000036655_200025704644 [1,1,0,0,0,0|0,0,2]=4 3958 B7R0.1 CCC/C=C/COC 34a_100016278788_200000210301 [1,1,0,0,0,0|0,0,1]=3 3959 B7R0.1 CCC/C=C/COC 7a_100016278788_200000210301 [1,1,0,0,0,0|0,0,1]=3 3960 B7R0.1 CCC/C=C/CO[13CH3] 34a_100016278788_200025704644 [1,1,0,0,0,0|0,0,1]=3 3961 B7R0.1 CCC/C=C/CO[13CH3] 7a_100016278788_200025704644 [1,1,0,0,0,0|0,0,1]=3 3962 B7R0.1 CCC=NNCCC 4a_100000740057_100000210100 [1,1,0,0,0,0|2,0,0]=4 3963 B7R0.1 CCCC#CCOC 34a_100000034806_200000210301 [1,1,0,0,0,0|0,0,2]=4 3964 B7R0.1 CCCC#CCOC 7a_100000034806_200000210301 [1,1,0,0,0,0|0,0,2]=4 3965 B7R0.1 CCCC#CCO[13CH3] 34a_100000034806_200025704644 [1,1,0,0,0,0|0,0,2]=4 3966 B7R0.1 CCCC#CCO[13CH3] 7a_100000034806_200025704644 [1,1,0,0,0,0|0,0,2]=4 3967 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [1,1,0,0,0,0|1,0,1]=4 3968 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [1,1,0,0,0,0|1,0,1]=4 3969 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [1,1,0,0,0,0|1,0,1]=4 3970 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [1,1,0,0,0,0|1,0,1]=4 3971 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [1,1,0,0,0,0|1,0,1]=4 3972 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [1,1,0,0,0,0|0,0,1]=3 3973 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [1,1,0,0,0,0|0,0,1]=3 3974 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [1,1,0,0,0,0|0,0,1]=3 3975 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [1,1,0,0,0,0|0,0,1]=3 3976 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [1,1,0,0,0,0|0,0,1]=3 3977 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [1,1,0,0,0,0|0,1,1]=4 3978 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [1,1,0,0,0,0|0,1,1]=4 3979 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [1,1,0,0,0,0|0,1,1]=4 3980 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [1,1,0,0,0,0|0,1,1]=4 3981 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [1,1,0,0,0,0|1,0,1]=4 3982 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [1,1,0,0,0,0|1,0,1]=4 3983 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [1,1,0,0,0,0|0,0,1]=3 3984 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [1,1,0,0,0,0|0,0,1]=3 3985 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [1,1,0,0,0,0|0,0,1]=3 3986 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [1,1,0,0,0,0|0,0,1]=3 3987 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [1,1,0,0,0,0|0,0,1]=3 3988 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [1,1,0,0,0,0|0,1,1]=4 3989 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [1,1,0,0,0,0|0,1,1]=4 3990 B7R0.1 CCCCCSCF 62a_100000210326_100015361967 [1,1,0,0,0,0|0,1,1]=4 3991 B7R0.1 CCCCCSCF 62a_100015361967_100000210326 [1,1,0,0,0,0|0,1,1]=4 3992 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [1,1,0,0,0,0|1,0,1]=4 3993 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [1,1,0,0,0,0|1,0,1]=4 3994 B7R0.1 CCCCNCCF 2230a_100000102301_100011217306 [1,1,0,0,0,0|2,0,0]=4 3995 B7R0.1 CCCCNCCF 34a_100000724931_100000210210 [1,1,0,0,0,0|2,0,0]=4 3996 B7R0.1 CCCCNCCF 7a_106832991798_100011217306 [1,1,0,0,0,0|2,0,0]=4 3997 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [1,1,0,0,0,0|2,0,0]=4 3998 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [1,1,0,0,0,0|2,0,0]=4 3999 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [1,1,0,0,0,0|2,0,0]=4 4000 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [1,1,0,0,0,0|2,0,0]=4 4001 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [1,1,0,0,0,0|0,0,1]=3 4002 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [1,1,0,0,0,0|0,1,1]=4 4003 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [1,1,0,0,0,0|2,0,0]=4 4004 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [1,1,0,0,0,0|1,0,1]=4 4005 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [1,1,0,0,0,0|1,0,1]=4 4006 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [1,1,0,0,0,0|1,0,1]=4 4007 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [1,1,0,0,0,0|2,0,0]=4 4008 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [1,1,0,0,0,0|2,0,0]=4 4009 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [1,1,0,0,0,0|2,0,0]=4 4010 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [1,1,0,0,0,0|2,0,0]=4 4011 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [1,1,0,0,0,0|2,0,0]=4 4012 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [1,1,0,0,0,0|1,0,1]=4 4013 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [1,1,0,0,0,0|1,0,1]=4 4014 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [1,1,0,0,0,0|0,0,1]=3 4015 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [1,1,0,0,0,0|0,1,1]=4 4016 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [1,1,0,0,0,0|0,1,1]=4 4017 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [1,1,0,0,0,0|0,1,1]=4 4018 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [1,1,0,0,0,0|0,1,1]=4 4019 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [1,1,0,0,0,0|0,1,1]=4 4020 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [1,1,0,0,0,0|1,0,1]=4 4021 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [1,1,0,0,0,0|1,0,1]=4 4022 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [1,1,0,0,0,0|2,0,0]=4 4023 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [1,1,0,0,0,0|2,0,0]=4 4024 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [1,1,0,0,0,0|2,0,0]=4 4025 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [1,1,0,0,0,0|2,0,0]=4 4026 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [1,1,0,0,0,0|0,0,1]=3 4027 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [1,1,0,0,0,0|0,0,1]=3 4028 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [1,1,0,0,0,0|0,1,1]=4 4029 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [1,1,0,0,0,0|0,1,1]=4 4030 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [1,1,0,0,0,0|0,0,1]=3 4031 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [1,1,0,0,0,0|0,1,1]=4 4032 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [1,1,0,0,0,0|1,0,1]=4 4033 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [1,1,0,0,0,0|1,0,1]=4 4034 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [1,1,0,0,0,0|1,0,1]=4 4035 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [1,1,0,0,0,0|1,0,1]=4 4036 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [1,1,0,0,0,0|1,0,1]=4 4037 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [1,1,0,0,0,0|1,0,1]=4 4038 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [1,1,0,0,0,0|1,0,1]=4 4039 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [1,1,0,0,0,0|0,0,1]=3 4040 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [1,1,0,0,0,0|0,0,1]=3 4041 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [1,1,0,0,0,0|0,0,1]=3 4042 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [1,1,0,0,0,0|0,0,1]=3 4043 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [1,1,0,0,0,0|0,0,1]=3 4044 B7R0.1 CCCOCCON 34a_100000700252_100000210303 [1,1,0,0,0,0|1,0,1]=4 4045 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [1,1,0,0,0,0|0,0,1]=3 4046 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [1,1,0,0,0,0|0,0,1]=3 4047 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [1,1,0,0,0,0|0,1,1]=4 4048 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [1,1,0,0,0,0|0,1,1]=4 4049 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [1,1,0,0,0,0|0,1,1]=4 4050 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [1,1,0,0,0,0|0,1,1]=4 4051 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [1,1,0,0,0,0|0,1,1]=4 4052 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [1,1,0,0,0,0|0,1,1]=4 4053 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [1,1,0,0,0,0|0,1,1]=4 4054 B7R0.1 CCCSCCNC 2230a_100020603323_200000210301 [1,1,0,0,0,0|1,0,1]=4 4055 B7R0.1 CCCSCCN[13CH3] 2230a_100020603323_200025704644 [1,1,0,0,0,0|1,0,1]=4 4056 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [1,1,0,0,0,0|0,0,1]=3 4057 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [1,1,0,0,0,0|0,0,1]=3 4058 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [1,1,0,0,0,0|0,0,1]=3 4059 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [1,1,0,0,0,0|0,0,1]=3 4060 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [1,1,0,0,0,0|0,0,1]=3 4061 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [1,1,0,0,0,0|0,0,1]=3 4062 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [1,1,0,0,0,0|0,1,1]=4 4063 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [1,1,0,0,0,0|0,1,1]=4 4064 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [1,1,0,0,0,0|1,0,1]=4 4065 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [1,1,0,0,0,0|1,0,1]=4 4066 B7R0.1 CCNCCCCF 2230a_100015525214_100000729493 [1,1,0,0,0,0|2,0,0]=4 4067 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [1,1,0,0,0,0|2,0,0]=4 4068 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [1,1,0,0,0,0|2,0,0]=4 4069 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [1,1,0,0,0,0|2,0,0]=4 4070 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [1,1,0,0,0,0|0,0,1]=3 4071 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [1,1,0,0,0,0|0,0,1]=3 4072 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [1,1,0,0,0,0|0,1,1]=4 4073 B7R0.1 CCNCCOCC 2230a_100015525214_100011215890 [1,1,0,0,0,0|1,0,1]=4 4074 B7R0.1 CCNCCOCC 2230a_102516460346_100000210202 [1,1,0,0,0,0|1,0,1]=4 4075 B7R0.1 CCNCCOCC 34a_102516460346_100000210202 [1,1,0,0,0,0|1,0,1]=4 4076 B7R0.1 CCNCCSCC 2230a_100000106463_100000210202 [1,1,0,0,0,0|2,0,0]=4 4077 B7R0.1 CCNCCSCC 2230a_100015525214_100000757381 [1,1,0,0,0,0|2,0,0]=4 4078 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [1,1,0,0,0,0|1,0,1]=4 4079 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [1,1,0,0,0,0|1,0,1]=4 4080 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [1,1,0,0,0,0|1,0,1]=4 4081 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [1,1,0,0,0,0|1,0,1]=4 4082 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [1,1,0,0,0,0|1,0,1]=4 4083 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [1,1,0,0,0,0|1,0,1]=4 4084 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [1,1,0,0,0,0|1,0,1]=4 4085 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [1,1,0,0,0,0|1,0,1]=4 4086 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [1,1,0,0,0,0|1,0,1]=4 4087 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [1,1,0,0,0,0|1,0,1]=4 4088 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [1,1,0,0,0,0|1,0,1]=4 4089 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [1,1,0,0,0,0|1,0,1]=4 4090 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [1,1,0,0,0,0|1,0,1]=4 4091 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [1,1,0,0,0,0|1,0,1]=4 4092 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [1,1,0,0,0,0|1,0,1]=4 4093 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [1,1,0,0,0,0|1,0,1]=4 4094 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [1,1,0,0,0,0|1,0,1]=4 4095 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [1,1,0,0,0,0|0,0,1]=3 4096 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [1,1,0,0,0,0|0,0,1]=3 4097 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [1,1,0,0,0,0|0,0,1]=3 4098 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [1,1,0,0,0,0|0,0,1]=3 4099 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [1,1,0,0,0,0|0,0,1]=3 4100 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [1,1,0,0,0,0|0,0,1]=3 4101 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [1,1,0,0,0,0|0,0,1]=3 4102 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [1,1,0,0,0,0|0,1,1]=4 4103 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [1,1,0,0,0,0|0,1,1]=4 4104 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [1,1,0,0,0,0|0,1,1]=4 4105 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [1,1,0,0,0,0|0,1,1]=4 4106 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [1,1,0,0,0,0|0,1,1]=4 4107 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [1,1,0,0,0,0|0,1,1]=4 4108 B7R0.1 CCOCCOCC 34a_100000210136_100000210202 [1,1,0,0,0,0|1,0,1]=4 4109 B7R0.1 CCOCCOCC 34a_100121572206_100000210147 [1,1,0,0,0,0|1,0,1]=4 4110 B7R0.1 CCOCCOCC 7a_100000210136_100000210202 [1,1,0,0,0,0|1,0,1]=4 4111 B7R0.1 CCOCCOCF 34a_100000210136_100015361967 [1,1,0,0,0,0|1,0,1]=4 4112 B7R0.1 CCOCCOCF 7a_100000210136_100015361967 [1,1,0,0,0,0|1,0,1]=4 4113 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [1,1,0,0,0,0|1,0,1]=4 4114 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [1,1,0,0,0,0|1,0,1]=4 4115 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [1,1,0,0,0,0|1,0,1]=4 4116 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [1,1,0,0,0,0|1,0,1]=4 4117 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [1,1,0,0,0,0|1,0,1]=4 4118 B7R0.1 CCOCSCOC 62a_100000739092_100000766300 [1,1,0,0,0,0|1,0,1]=4 4119 B7R0.1 CCOCSCOC 62a_100000766300_100000739092 [1,1,0,0,0,0|1,0,1]=4 4120 B7R0.1 CCSCCCCF 62a_100000210202_100000729493 [1,1,0,0,0,0|2,0,0]=4 4121 B7R0.1 CCSCCCCF 62a_100000729493_100000210202 [1,1,0,0,0,0|2,0,0]=4 4122 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [1,1,0,0,0,0|2,0,0]=4 4123 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [1,1,0,0,0,0|2,0,0]=4 4124 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [1,1,0,0,0,0|0,0,1]=3 4125 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [1,1,0,0,0,0|0,0,1]=3 4126 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [1,1,0,0,0,0|0,0,1]=3 4127 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [1,1,0,0,0,0|0,0,1]=3 4128 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [1,1,0,0,0,0|0,0,1]=3 4129 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [1,1,0,0,0,0|0,0,1]=3 4130 B7R0.1 CCSCCOCF 34a_100000212035_100015361967 [1,1,0,0,0,0|1,0,1]=4 4131 B7R0.1 CCSCCOCF 7a_100000212035_100015361967 [1,1,0,0,0,0|1,0,1]=4 4132 B7R0.1 CCSCCSCC 62a_100000210202_100000757381 [1,1,0,0,0,0|2,0,0]=4 4133 B7R0.1 CCSCCSCC 62a_100000757381_100000210202 [1,1,0,0,0,0|2,0,0]=4 4134 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [1,1,0,0,0,0|1,0,1]=4 4135 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [1,1,0,0,0,0|1,0,1]=4 4136 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [1,1,0,0,0,0|1,0,1]=4 4137 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [1,1,0,0,0,0|1,0,1]=4 4138 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [1,1,0,0,0,0|1,0,1]=4 4139 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [1,1,0,0,0,0|1,0,1]=4 4140 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [1,1,0,0,0,0|1,0,1]=4 4141 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [1,1,0,0,0,0|1,0,1]=4 4142 B7R0.1 CNCCCCOC 2230a_106832991635_100000730899 [1,1,0,0,0,0|0,0,1]=3 4143 B7R0.1 CNCCCCOC 34a_100102657272_100000755781 [1,1,0,0,0,0|0,0,1]=3 4144 B7R0.1 CNCCCCOC 7a_106832991635_100000730899 [1,1,0,0,0,0|0,0,1]=3 4145 B7R0.1 CNCCCOCF 34a_100000213112_100015361967 [1,1,0,0,0,0|1,0,1]=4 4146 B7R0.1 CNCOCCOC 2230a_106832991635_100000231047 [1,1,0,0,0,0|1,0,1]=4 4147 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [1,1,0,0,0,0|0,0,1]=3 4148 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [1,1,0,0,0,0|0,0,1]=3 4149 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [1,1,0,0,0,0|0,0,1]=3 4150 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [1,1,0,0,0,0|0,0,1]=3 4151 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [1,1,0,0,0,0|0,0,1]=3 4152 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [1,1,0,0,0,0|0,0,1]=3 4153 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [1,1,0,0,0,0|0,0,1]=3 4154 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [1,1,0,0,0,0|0,0,1]=3 4155 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [1,1,0,0,0,0|0,0,1]=3 4156 B7R0.1 COCCCCOC 34a_100000740925_200000210301 [1,1,0,0,0,0|0,0,1]=3 4157 B7R0.1 COCCCCOC 34a_100138415774_100000755781 [1,1,0,0,0,0|0,0,1]=3 4158 B7R0.1 COCCCCO[13CH3] 34a_100000740925_200025704644 [1,1,0,0,0,0|0,0,1]=3 4159 B7R0.1 COCCCCSC 34a_100011217163_200000210301 [1,1,0,0,0,0|0,0,1]=3 4160 B7R0.1 COCCCCSC 62a_100000730899_200000210301 [1,1,0,0,0,0|0,0,1]=3 4161 B7R0.1 COCCCCSC 62a_200000210301_100000730899 [1,1,0,0,0,0|0,0,1]=3 4162 B7R0.1 COCCCCSC 7a_100011217163_200000210301 [1,1,0,0,0,0|0,0,1]=3 4163 B7R0.1 COCCCCS[13CH3] 62a_100000730899_200025704644 [1,1,0,0,0,0|0,0,1]=3 4164 B7R0.1 COCCCCS[13CH3] 62a_200025704644_100000730899 [1,1,0,0,0,0|0,0,1]=3 4165 B7R0.1 COCCCNCF 34a_100150723488_100015361967 [1,1,0,0,0,0|1,0,1]=4 4166 B7R0.1 COCCCOCF 34a_100000740835_100015361967 [1,1,0,0,0,0|1,0,1]=4 4167 B7R0.1 COCCCSCF 62a_100000709357_100015361967 [1,1,0,0,0,0|1,0,1]=4 4168 B7R0.1 COCCCSCF 62a_100015361967_100000709357 [1,1,0,0,0,0|1,0,1]=4 4169 B7R0.1 COCCNCCF 2230a_100000209980_100011217306 [1,1,0,0,0,0|1,0,1]=4 4170 B7R0.1 COCCNCCF 34a_100000724931_100011201679 [1,1,0,0,0,0|1,0,1]=4 4171 B7R0.1 COCCNCCO 2230a_100000209980_100000211926 [1,1,0,0,0,0|1,0,1]=4 4172 B7R0.1 COCCNCCO 2230a_100016997473_100011201679 [1,1,0,0,0,0|1,0,1]=4 4173 B7R0.1 COCCNCCO 34a_100016990907_100011201679 [1,1,0,0,0,0|1,0,1]=4 4174 B7R0.1 COCCNCOC 2230a_100000209980_100000766300 [1,1,0,0,0,0|1,0,1]=4 4175 B7R0.1 COCCNCSC 2230a_100000209980_100011218213 [1,1,0,0,0,0|1,0,1]=4 4176 B7R0.1 COCCOCCBr 34a_100000211926_100011201679 [1,1,0,0,0,0|1,0,1]=4 4177 B7R0.1 COCCOCCBr 34a_100000692535_200000210301 [1,1,0,0,0,0|1,0,1]=4 4178 B7R0.1 COCCOCCBr 7a_100000692535_200000210301 [1,1,0,0,0,0|1,0,1]=4 4179 B7R0.1 COCCOCCCl 34a_100011215305_200000210301 [1,1,0,0,0,0|1,0,1]=4 4180 B7R0.1 COCCOCCCl 7a_100011215305_200000210301 [1,1,0,0,0,0|1,0,1]=4 4181 B7R0.1 COCCOCCF 34a_100000210237_100011217306 [1,1,0,0,0,0|1,0,1]=4 4182 B7R0.1 COCCOCCF 34a_200015357709_200000210301 [1,1,0,0,0,0|1,0,1]=4 4183 B7R0.1 COCCOCCF 7a_200015357709_200000210301 [1,1,0,0,0,0|1,0,1]=4 4184 B7R0.1 COCCOCCI 34a_100012149058_200000210301 [1,1,0,0,0,0|1,0,1]=4 4185 B7R0.1 COCCOCCI 7a_100012149058_200000210301 [1,1,0,0,0,0|1,0,1]=4 4186 B7R0.1 COCCOCCN 34a_100000210304_100011201679 [1,1,0,0,0,0|1,0,1]=4 4187 B7R0.1 COCCOCCN 34a_100000211614_200000210301 [1,1,0,0,0,0|1,0,1]=4 4188 B7R0.1 COCCOCCO 34a_100000210237_100000211926 [1,1,0,0,0,0|1,0,1]=4 4189 B7R0.1 COCCOCCO 34a_100138415774_100000692535 [1,1,0,0,0,0|1,0,1]=4 4190 B7R0.1 COCCOCSC 34a_100000210237_100011218213 [1,1,0,0,0,0|1,0,1]=4 4191 B7R0.1 COCCOCSC 62a_100000231047_200000210301 [1,1,0,0,0,0|1,0,1]=4 4192 B7R0.1 COCCOCSC 62a_200000210301_100000231047 [1,1,0,0,0,0|1,0,1]=4 4193 B7R0.1 COCCOCS[13CH3] 62a_100000231047_200025704644 [1,1,0,0,0,0|1,0,1]=4 4194 B7R0.1 COCCOCS[13CH3] 62a_200025704644_100000231047 [1,1,0,0,0,0|1,0,1]=4 4195 B7R0.1 COCCSCCF 62a_100000233755_100011217306 [1,1,0,0,0,0|1,0,1]=4 4196 B7R0.1 COCCSCCF 62a_100011217306_100000233755 [1,1,0,0,0,0|1,0,1]=4 4197 B7R0.1 COCCSCCO 62a_100000211926_100000233755 [1,1,0,0,0,0|1,0,1]=4 4198 B7R0.1 COCCSCCO 62a_100000233755_100000211926 [1,1,0,0,0,0|1,0,1]=4 4199 B7R0.1 COCCSCOC 62a_100000233755_100000766300 [1,1,0,0,0,0|1,0,1]=4 4200 B7R0.1 COCCSCOC 62a_100000766300_100000233755 [1,1,0,0,0,0|1,0,1]=4 4201 B7R0.1 COCCSCSC 62a_100000233755_100011218213 [1,1,0,0,0,0|1,0,1]=4 4202 B7R0.1 COCCSCSC 62a_100011218213_100000233755 [1,1,0,0,0,0|1,0,1]=4 4203 B7R0.1 COCNCCCF 2230a_100015189416_100000766300 [1,1,0,0,0,0|1,0,1]=4 4204 B7R0.1 COCNCCSC 2230a_100020590264_100000766300 [1,1,0,0,0,0|1,0,1]=4 4205 B7R0.1 COCSCCCF 62a_100000766300_100011934791 [1,1,0,0,0,0|1,0,1]=4 4206 B7R0.1 COCSCCCF 62a_100011934791_100000766300 [1,1,0,0,0,0|1,0,1]=4 4207 B7R0.1 COCSCCCO 62a_100000766300_100011215043 [1,1,0,0,0,0|1,0,1]=4 4208 B7R0.1 COCSCCCO 62a_100011215043_100000766300 [1,1,0,0,0,0|1,0,1]=4 4209 B7R0.1 COCSCCSC 62a_100000212216_100000766300 [1,1,0,0,0,0|1,0,1]=4 4210 B7R0.1 COCSCCSC 62a_100000766300_100000751147 [1,1,0,0,0,0|1,0,1]=4 4211 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [1,1,0,0,0,0|0,1,1]=4 4212 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [1,1,0,0,0,0|0,1,1]=4 4213 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [1,1,0,0,0,0|0,1,1]=4 4214 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [1,1,0,0,0,0|0,1,1]=4 4215 B7R0.1 CSCCCCO[13CH3] 34a_100011217163_200025704644 [1,1,0,0,0,0|0,0,1]=3 4216 B7R0.1 CSCCCCO[13CH3] 7a_100011217163_200025704644 [1,1,0,0,0,0|0,0,1]=3 4217 B7R0.1 CSCCCOCF 34a_100000690336_100015361967 [1,1,0,0,0,0|1,0,1]=4 4218 B7R0.1 CSCCCOCF 7a_100000690336_100015361967 [1,1,0,0,0,0|1,0,1]=4 4219 B7R0.1 FCCCCOCF 34a_100011995726_100015361967 [1,1,0,0,0,0|1,0,1]=4 4220 B7R0.1 FCCCCOCF 7a_100011995726_100015361967 [1,1,0,0,0,0|1,0,1]=4 4221 B7R0.1 FCOCCCCBr 34a_100011216708_100015361967 [1,1,0,0,0,0|1,0,1]=4 4222 B7R0.1 FCOCCCCCl 34a_100000210776_100015361967 [1,1,0,0,0,0|1,0,1]=4 4223 B7R0.1 FCOCCCCCl 7a_100000210776_100015361967 [1,1,0,0,0,0|1,0,1]=4 4224 B7R0.1 FCOCCCCI 34a_200012148704_100015361967 [1,1,0,0,0,0|1,0,1]=4 4225 B7R0.1 NCCCCOCF 34a_100000750430_100015361967 [1,1,0,0,0,0|1,0,1]=4 4226 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [1,1,0,0,0,0|1,0,1]=4 4227 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [1,1,0,0,0,0|1,0,1]=4 4228 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [1,1,0,0,0,0|0,0,1]=3 4229 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [1,1,0,0,0,0|0,0,1]=3 4230 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [1,1,0,0,0,0|0,0,1]=3 4231 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [1,1,0,0,0,0|0,0,1]=3 4232 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [1,1,0,0,0,0|0,0,1]=3 4233 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [1,1,0,0,0,0|0,0,1]=3 4234 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [1,1,0,0,0,0|0,0,1]=3 4235 B7R0.1 [13CH3]OCCOCCBr 34a_100000692535_200025704644 [1,1,0,0,0,0|1,0,1]=4 4236 B7R0.1 [13CH3]OCCOCCBr 7a_100000692535_200025704644 [1,1,0,0,0,0|1,0,1]=4 4237 B7R0.1 [13CH3]OCCOCCCl 34a_100011215305_200025704644 [1,1,0,0,0,0|1,0,1]=4 4238 B7R0.1 [13CH3]OCCOCCCl 7a_100011215305_200025704644 [1,1,0,0,0,0|1,0,1]=4 4239 B7R0.1 [13CH3]OCCOCCF 34a_200015357709_200025704644 [1,1,0,0,0,0|1,0,1]=4 4240 B7R0.1 [13CH3]OCCOCCF 7a_200015357709_200025704644 [1,1,0,0,0,0|1,0,1]=4 4241 B7R0.1 [13CH3]OCCOCCI 34a_100012149058_200025704644 [1,1,0,0,0,0|1,0,1]=4 4242 B7R0.1 [13CH3]OCCOCCI 7a_100012149058_200025704644 [1,1,0,0,0,0|1,0,1]=4 4243 B7R0.1 [13CH3]OCCOCCN 34a_100000211614_200025704644 [1,1,0,0,0,0|1,0,1]=4 4244 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [1,1,0,0,0,0|0,1,1]=4 4245 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [1,1,0,0,0,0|0,1,1]=4 4246 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [1,1,0,0,0,0|0,1,1]=4 4247 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [1,1,0,0,0,0|0,1,1]=4 4248 B9R0.4 C=C(C)CC(=O)CCCC 1458a_100000210183_100000748629 [0,2,0,0,0,0|1,0,0]=3 4249 B9R0.4 C=C(C)CC(=O)CCOC 1458a_100000749529_100000748629 [0,2,0,0,0,0|2,0,0]=4 4250 B9R0.4 C=C(C)CC(=O)CCSC 1458a_100000174002_100000748629 [0,2,0,0,0,0|2,0,0]=4 4251 B9R0.4 C=C(C)CC(=O)COCC 1458a_100000211967_100000748629 [0,2,0,0,0,0|2,0,0]=4 4252 B9R0.4 C=C(C)CC(=O)CSCC 1458a_100000230394_100000748629 [0,2,0,0,0,0|2,0,0]=4 4253 B9R0.4 C=C(F)CC(=O)CCCC 1458a_100000210183_100009893438 [0,2,0,0,0,0|1,0,1]=4 4254 B9R0.4 CC(=CC(=O)CCCF)C 1458a_100000211388_100011934791 [0,2,0,0,0,0|2,0,0]=4 4255 B9R0.4 CC(=CC(=O)CCCF)Cl 1458a_200042562850_100011934791 [0,2,0,0,0,0|2,0,0]=4 4256 B9R0.4 CC(=CC(=O)CCCF)I 1458a_100025716642_100011934791 [0,2,0,0,0,0|2,0,0]=4 4257 B9R0.4 CC(=CC(=O)CCCO)C 1458a_100000211388_100011215043 [0,2,0,0,0,0|2,0,0]=4 4258 B9R0.4 CC(=CC(=O)CCCO)Cl 1458a_200042562850_100011215043 [0,2,0,0,0,0|2,0,0]=4 4259 B9R0.4 CC(=CC(=O)CCCO)I 1458a_100025716642_100011215043 [0,2,0,0,0,0|2,0,0]=4 4260 B9R0.4 CC(C)CC(=O)CCCF 1458a_100000210554_100011934791 [0,2,0,0,0,0|2,0,0]=4 4261 B9R0.4 CC(C)CC(=O)CCCO 1458a_100000210554_100011215043 [0,2,0,0,0,0|2,0,0]=4 4262 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_100000737564_200025704644 [0,2,0,0,0,0|2,0,0]=4 4263 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_200025704644_100000737564 [0,2,0,0,0,0|2,0,0]=4 4264 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_100000760027_200025704644 [0,2,0,0,0,0|1,0,0]=3 4265 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_200025704644_100000760027 [0,2,0,0,0,0|1,0,0]=3 4266 B9R0.4 CC(C)OC(=O)CSCF 62a_100011215430_100015361967 [0,2,0,0,0,0|2,0,0]=4 4267 B9R0.4 CC(C)OC(=O)CSCF 62a_100015361967_100011215430 [0,2,0,0,0,0|2,0,0]=4 4268 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_100000003507_200025704644 [0,2,0,0,0,0|2,0,0]=4 4269 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_200025704644_100000003507 [0,2,0,0,0,0|2,0,0]=4 4270 B9R0.4 CCCCC(=O)C=C(C)C 1458a_100000211388_100000210211 [0,2,0,0,0,0|1,0,0]=3 4271 B9R0.4 CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210211 [0,2,0,0,0,0|1,0,0]=3 4272 B9R0.4 CCCCC(=O)C=C(C)I 1458a_100025716642_100000210211 [0,2,0,0,0,0|1,0,0]=3 4273 B9R0.4 CCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210211 [0,2,0,0,0,0|1,0,1]=4 4274 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100000210183_100000187820 [0,2,0,0,0,0|1,0,1]=4 4275 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100134613110_100000210211 [0,2,0,0,0,0|1,0,1]=4 4276 B9R0.4 CCCCC(=O)CC(=O)[O-] 1458a_100000210183_100020667443 [0,2,0,0,0,0|1,0,1]=4 4277 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210183_100000210624 [0,2,0,0,0,0|1,0,0]=3 4278 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210554_100000210211 [0,2,0,0,0,0|1,0,0]=3 4279 B9R0.4 CCCCC(=O)CC(C)O 1458a_100000210183_100011218427 [0,2,0,0,0,0|1,0,0]=3 4280 B9R0.4 CCCCC(=O)CC(F)F 1458a_100000210183_100011934356 [0,2,0,0,0,0|1,0,0]=3 4281 B9R0.4 CCCCC(=O)CN(C)C 1458a_100000750896_100000210211 [0,2,0,0,0,0|1,0,0]=3 4282 B9R0.4 CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210211 [0,2,0,0,0,0|1,0,0]=3 4283 B9R0.4 CCCCC(=O)C[N+](=O)[O-] 1458a_100000210183_100000761209 [0,2,0,0,0,0|2,0,0]=4 4284 B9R0.4 CCCCC(=O)C[S+](C)C 1458a_200159257847_100000210211 [0,2,0,0,0,0|0,1,0]=3 4285 B9R0.4 CCCCC(=O)NC(C)C 11a_100138425928_100000210183 [0,2,0,0,0,0|1,0,0]=3 4286 B9R0.4 CCCCC(=O)NC(C)C 1626a_100138425928_100000210183 [0,2,0,0,0,0|1,0,0]=3 4287 B9R0.4 CCCCC(=O)NC(C)C 240690a_100138425928_100000210183 [0,2,0,0,0,0|1,0,0]=3 4288 B9R0.4 CCCCC(=O)NC(C)C 527a_100138425928_100000210183 [0,2,0,0,0,0|1,0,0]=3 4289 B9R0.4 CCCCC(C)OC(C)C 34a_100000212225_200011215066 [0,2,0,0,0,0|1,0,1]=4 4290 B9R0.4 CCCCC(C)OC(C)C 34a_100000687866_100000210206 [0,2,0,0,0,0|1,0,1]=4 4291 B9R0.4 CCCCC(C)OC(C)C 7a_100000687866_100000210206 [0,2,0,0,0,0|1,0,1]=4 4292 B9R0.4 CCCNC(=O)C=C(C)C 11a_100020643023_100000211388 [0,2,0,0,0,0|2,0,0]=4 4293 B9R0.4 CCCNC(=O)C=C(C)C 1626a_100020643023_100000211388 [0,2,0,0,0,0|2,0,0]=4 4294 B9R0.4 CCCNC(=O)C=C(C)C 240690a_100020643023_100000211388 [0,2,0,0,0,0|2,0,0]=4 4295 B9R0.4 CCCNC(=O)C=C(C)Cl 11a_100020643023_200042562850 [0,2,0,0,0,0|2,0,0]=4 4296 B9R0.4 CCCNC(=O)C=C(C)Cl 1626a_100020643023_200042562850 [0,2,0,0,0,0|2,0,0]=4 4297 B9R0.4 CCCNC(=O)C=C(C)Cl 240690a_100020643023_200042562850 [0,2,0,0,0,0|2,0,0]=4 4298 B9R0.4 CCCNC(=O)C=C(C)I 11a_100020643023_100025716642 [0,2,0,0,0,0|2,0,0]=4 4299 B9R0.4 CCCNC(=O)C=C(C)I 1626a_100020643023_100025716642 [0,2,0,0,0,0|2,0,0]=4 4300 B9R0.4 CCCNC(=O)CC(=O)C 1458a_100000070787_100000183358 [0,2,0,0,0,0|2,0,0]=4 4301 B9R0.4 CCCNC(=O)CC(C)C 11a_100020643023_100000210554 [0,2,0,0,0,0|2,0,0]=4 4302 B9R0.4 CCCNC(=O)CC(C)C 1626a_100020643023_100000210554 [0,2,0,0,0,0|2,0,0]=4 4303 B9R0.4 CCCNC(=O)CC(C)C 240690a_100020643023_100000210554 [0,2,0,0,0,0|2,0,0]=4 4304 B9R0.4 CCCNC(=O)CC(C)C 527a_100020643023_100000210554 [0,2,0,0,0,0|2,0,0]=4 4305 B9R0.4 CCCNC(=O)CN(C)C 11a_100020643023_100000750896 [0,2,0,0,0,0|2,0,0]=4 4306 B9R0.4 CCCNC(=O)CN(C)C 2230a_100000684209_200000210301 [0,2,0,0,0,0|2,0,0]=4 4307 B9R0.4 CCCNC(=O)CN(C)C 2230a_100102631434_100000183358 [0,2,0,0,0,0|2,0,0]=4 4308 B9R0.4 CCCNC(=O)CN(C)C 240690a_100020643023_100000750896 [0,2,0,0,0,0|2,0,0]=4 4309 B9R0.4 CCCNC(=O)CN(C)C 269982a_100000684209_200000210301 [0,2,0,0,0,0|2,0,0]=4 4310 B9R0.4 CCCNC(=O)CN(C)C 269982a_100102631434_100000183358 [0,2,0,0,0,0|2,0,0]=4 4311 B9R0.4 CCCNC(=O)CN(C)C 527a_100020643023_100000750896 [0,2,0,0,0,0|2,0,0]=4 4312 B9R0.4 CCCNC(=O)CN(C)[13CH3] 2230a_100000684209_200025704644 [0,2,0,0,0,0|2,0,0]=4 4313 B9R0.4 CCCNC(=O)CN(C)[13CH3] 269982a_100000684209_200025704644 [0,2,0,0,0,0|2,0,0]=4 4314 B9R0.4 CCCNC(=O)C[C@@H](C)O 240690a_100020643023_100011933948 [0,2,0,0,0,0|2,0,0]=4 4315 B9R0.4 CCCNC(=O)C[S+](C)C 11a_100020643023_200159257847 [0,2,0,0,0,0|1,1,0]=4 4316 B9R0.4 CCCNC(=O)C[S+](C)C 1626a_100020643023_200159257847 [0,2,0,0,0,0|1,1,0]=4 4317 B9R0.4 CCCNC(=O)C[S+](C)C 240690a_100020643023_200159257847 [0,2,0,0,0,0|1,1,0]=4 4318 B9R0.4 CCCNC(=O)C[S+](C)C 527a_100020643023_200159257847 [0,2,0,0,0,0|1,1,0]=4 4319 B9R0.4 CCCNC(=O)NC(C)C 2708a_100020643023_100138425928 [0,2,0,0,0,0|2,0,0]=4 4320 B9R0.4 CCCNC(=O)NC(C)C 2708a_100138425928_100020643023 [0,2,0,0,0,0|2,0,0]=4 4321 B9R0.4 CCCNC(=O)NC(C)C 273464a_100138425928_100020643023 [0,2,0,0,0,0|2,0,0]=4 4322 B9R0.4 CCCNC(=O)NC(C)C 512a_100020643023_100138425928 [0,2,0,0,0,0|2,0,0]=4 4323 B9R0.4 CCCNC(=O)NC(C)C 512a_100138425928_100020643023 [0,2,0,0,0,0|2,0,0]=4 4324 B9R0.4 CCCOC(=O)CC(=O)C 1458a_100000070787_200011215008 [0,2,0,0,0,0|2,0,0]=4 4325 B9R0.4 CCCOC(=O)CN(C)C 2230a_100102631434_200011215008 [0,2,0,0,0,0|2,0,0]=4 4326 B9R0.4 CCCOC(=O)CN(C)C 269982a_100102631434_200011215008 [0,2,0,0,0,0|2,0,0]=4 4327 B9R0.4 CCNCC(=O)NC(C)C 2230a_100000168517_100000210202 [0,2,0,0,0,0|2,0,0]=4 4328 B9R0.4 CCNCC(=O)NC(C)C 2230a_100015525214_100000183996 [0,2,0,0,0,0|2,0,0]=4 4329 B9R0.4 CCNCC(=O)OC(C)C 2230a_100015525214_100011215430 [0,2,0,0,0,0|1,0,0]=3 4330 B9R0.4 CCOCC(=O)CC(C)C 1458a_100000211967_100000210624 [0,2,0,0,0,0|2,0,0]=4 4331 B9R0.4 CCOCC(=O)CC(C)O 1458a_100000211967_100011218427 [0,2,0,0,0,0|2,0,0]=4 4332 B9R0.4 CCOCC(=O)CC(F)F 1458a_100000211967_100011934356 [0,2,0,0,0,0|2,0,0]=4 4333 B9R0.4 CCOCC(=O)NC(C)C 11a_100138425928_100000211967 [0,2,0,0,0,0|2,0,0]=4 4334 B9R0.4 CCOCC(=O)NC(C)C 1626a_100138425928_100000211967 [0,2,0,0,0,0|2,0,0]=4 4335 B9R0.4 CCOCC(=O)NC(C)C 240690a_100138425928_100000211967 [0,2,0,0,0,0|2,0,0]=4 4336 B9R0.4 CCOCC(=O)NC(C)C 34a_100121572206_100000183996 [0,2,0,0,0,0|2,0,0]=4 4337 B9R0.4 CCOCC(=O)NC(C)C 527a_100138425928_100000211967 [0,2,0,0,0,0|2,0,0]=4 4338 B9R0.4 CCOCC(=O)OC(C)C 34a_100121572206_100011215430 [0,2,0,0,0,0|1,0,0]=3 4339 B9R0.4 CCSCC(=O)CC(C)C 1458a_100000230394_100000210624 [0,2,0,0,0,0|2,0,0]=4 4340 B9R0.4 CCSCC(=O)CC(C)O 1458a_100000230394_100011218427 [0,2,0,0,0,0|2,0,0]=4 4341 B9R0.4 CCSCC(=O)CC(F)F 1458a_100000230394_100011934356 [0,2,0,0,0,0|2,0,0]=4 4342 B9R0.4 CCSCC(=O)NC(=O)C 62a_100000210202_100000183797 [0,2,0,0,0,0|2,0,0]=4 4343 B9R0.4 CCSCC(=O)NC(C)C 11a_100138425928_100000230394 [0,2,0,0,0,0|2,0,0]=4 4344 B9R0.4 CCSCC(=O)NC(C)C 1626a_100138425928_100000230394 [0,2,0,0,0,0|2,0,0]=4 4345 B9R0.4 CCSCC(=O)NC(C)C 240690a_100138425928_100000230394 [0,2,0,0,0,0|2,0,0]=4 4346 B9R0.4 CCSCC(=O)NC(C)C 527a_100138425928_100000230394 [0,2,0,0,0,0|2,0,0]=4 4347 B9R0.4 CCSCC(=O)NC(C)C 62a_100000183996_100000210202 [0,2,0,0,0,0|2,0,0]=4 4348 B9R0.4 CCSCC(=O)NC(C)C 62a_100000210202_100000183996 [0,2,0,0,0,0|2,0,0]=4 4349 B9R0.4 CCSCC(=O)OC(C)C 62a_100000210202_100011215430 [0,2,0,0,0,0|1,0,0]=3 4350 B9R0.4 CCSCC(=O)OC(C)C 62a_100011215430_100000210202 [0,2,0,0,0,0|1,0,0]=3 4351 B9R0.4 CN(C)CC(=O)CCCF 1458a_100000750896_100011934791 [0,2,0,0,0,0|2,0,0]=4 4352 B9R0.4 CN(C)CC(=O)CCCO 1458a_100000750896_100011215043 [0,2,0,0,0,0|2,0,0]=4 4353 B9R0.4 CNCCC(=O)NC(C)C 2230a_106832991635_100000737564 [0,2,0,0,0,0|2,0,0]=4 4354 B9R0.4 CNCCC(=O)NC(C)C 7a_106832991635_100000737564 [0,2,0,0,0,0|2,0,0]=4 4355 B9R0.4 CNCCC(=O)OC(C)C 2230a_106832991635_100000760027 [0,2,0,0,0,0|1,0,0]=3 4356 B9R0.4 CNCCC(=O)OC(C)C 7a_106832991635_100000760027 [0,2,0,0,0,0|1,0,0]=3 4357 B9R0.4 COCCC(=O)C=C(C)C 1458a_100000211388_100000233755 [0,2,0,0,0,0|2,0,0]=4 4358 B9R0.4 COCCC(=O)C=C(C)Cl 1458a_200042562850_100000233755 [0,2,0,0,0,0|2,0,0]=4 4359 B9R0.4 COCCC(=O)C=C(C)I 1458a_100025716642_100000233755 [0,2,0,0,0,0|2,0,0]=4 4360 B9R0.4 COCCC(=O)CC(C)C 1458a_100000210554_100000233755 [0,2,0,0,0,0|2,0,0]=4 4361 B9R0.4 COCCC(=O)CC(C)C 1458a_100000749529_100000210624 [0,2,0,0,0,0|2,0,0]=4 4362 B9R0.4 COCCC(=O)CC(C)O 1458a_100000749529_100011218427 [0,2,0,0,0,0|2,0,0]=4 4363 B9R0.4 COCCC(=O)CC(F)F 1458a_100000749529_100011934356 [0,2,0,0,0,0|2,0,0]=4 4364 B9R0.4 COCCC(=O)CN(C)C 1458a_100000750896_100000233755 [0,2,0,0,0,0|2,0,0]=4 4365 B9R0.4 COCCC(=O)C[C@@H](C)O 1458a_100011933948_100000233755 [0,2,0,0,0,0|2,0,0]=4 4366 B9R0.4 COCCC(=O)C[S+](C)C 1458a_200159257847_100000233755 [0,2,0,0,0,0|1,1,0]=4 4367 B9R0.4 COCCC(=O)NC(C)C 11a_100138425928_100000749529 [0,2,0,0,0,0|2,0,0]=4 4368 B9R0.4 COCCC(=O)NC(C)C 1626a_100138425928_100000749529 [0,2,0,0,0,0|2,0,0]=4 4369 B9R0.4 COCCC(=O)NC(C)C 240690a_100138425928_100000749529 [0,2,0,0,0,0|2,0,0]=4 4370 B9R0.4 COCCC(=O)NC(C)C 527a_100138425928_100000749529 [0,2,0,0,0,0|2,0,0]=4 4371 B9R0.4 CSCCC(=O)C=C(C)C 1458a_100000211388_100000751147 [0,2,0,0,0,0|2,0,0]=4 4372 B9R0.4 CSCCC(=O)C=C(C)Cl 1458a_200042562850_100000751147 [0,2,0,0,0,0|2,0,0]=4 4373 B9R0.4 CSCCC(=O)C=C(C)I 1458a_100025716642_100000751147 [0,2,0,0,0,0|2,0,0]=4 4374 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000174002_100000210624 [0,2,0,0,0,0|2,0,0]=4 4375 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000210554_100000751147 [0,2,0,0,0,0|2,0,0]=4 4376 B9R0.4 CSCCC(=O)CC(C)O 1458a_100000174002_100011218427 [0,2,0,0,0,0|2,0,0]=4 4377 B9R0.4 CSCCC(=O)CC(F)F 1458a_100000174002_100011934356 [0,2,0,0,0,0|2,0,0]=4 4378 B9R0.4 CSCCC(=O)CN(C)C 1458a_100000750896_100000751147 [0,2,0,0,0,0|2,0,0]=4 4379 B9R0.4 CSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000751147 [0,2,0,0,0,0|2,0,0]=4 4380 B9R0.4 CSCCC(=O)C[S+](C)C 1458a_200159257847_100000751147 [0,2,0,0,0,0|1,1,0]=4 4381 B9R0.4 CSCCC(=O)NC(C)C 11a_100138425928_100000174002 [0,2,0,0,0,0|2,0,0]=4 4382 B9R0.4 CSCCC(=O)NC(C)C 1626a_100138425928_100000174002 [0,2,0,0,0,0|2,0,0]=4 4383 B9R0.4 CSCCC(=O)NC(C)C 240690a_100138425928_100000174002 [0,2,0,0,0,0|2,0,0]=4 4384 B9R0.4 CSCCC(=O)NC(C)C 527a_100138425928_100000174002 [0,2,0,0,0,0|2,0,0]=4 4385 B9R0.4 CSCCC(=O)NC(C)C 62a_100000737564_200000210301 [0,2,0,0,0,0|2,0,0]=4 4386 B9R0.4 CSCCC(=O)NC(C)C 62a_200000210301_100000737564 [0,2,0,0,0,0|2,0,0]=4 4387 B9R0.4 CSCCC(=O)OC(C)C 62a_100000760027_200000210301 [0,2,0,0,0,0|1,0,0]=3 4388 B9R0.4 CSCCC(=O)OC(C)C 62a_200000210301_100000760027 [0,2,0,0,0,0|1,0,0]=3 4389 B9R0.4 CSCOC(=O)OC(C)C 62a_100000003507_200000210301 [0,2,0,0,0,0|2,0,0]=4 4390 B9R0.4 CSCOC(=O)OC(C)C 62a_200000210301_100000003507 [0,2,0,0,0,0|2,0,0]=4 4391 B9R0.4 C[C@@H](O)CC(=O)CCCF 1458a_100011933948_100011934791 [0,2,0,0,0,0|2,0,0]=4 4392 B9R0.4 C[C@@H](O)CC(=O)CCCO 1458a_100011933948_100011215043 [0,2,0,0,0,0|2,0,0]=4 4393 B9R0.4 C[S+](C)CC(=O)CCCF 1458a_200159257847_100011934791 [0,2,0,0,0,0|1,1,0]=4 4394 B9R0.4 C[S+](C)CC(=O)CCCO 1458a_200159257847_100011215043 [0,2,0,0,0,0|1,1,0]=4 4395 B9R0.5 C#CCC(=O)CCCCC 1458a_100000212188_100000184674 [0,2,0,0,0,0|1,0,1]=4 4396 B9R0.5 C#CCC(=O)CCCCC 1458a_100011220946_100000210326 [0,2,0,0,0,0|1,0,1]=4 4397 B9R0.5 C#CCC(=O)CCCCF 1458a_100011220946_100000729493 [0,2,0,0,0,0|1,0,1]=4 4398 B9R0.5 C#CCC(=O)CCCCO 1458a_100000695505_100000184674 [0,2,0,0,0,0|1,0,1]=4 4399 B9R0.5 C#CCC(=O)CCCCO 1458a_100011220946_100000210776 [0,2,0,0,0,0|1,0,1]=4 4400 B9R0.5 C#CCC(=O)CCCOC 1458a_100000741012_100000184674 [0,2,0,0,0,0|1,0,1]=4 4401 B9R0.5 C#CCC(=O)CCCOC 1458a_100011220946_100000740836 [0,2,0,0,0,0|1,0,1]=4 4402 B9R0.5 C#CCC(=O)CCCSC 1458a_100000173376_100000184674 [0,2,0,0,0,0|1,0,1]=4 4403 B9R0.5 C#CCC(=O)CCOCC 1458a_100000749530_100000184674 [0,2,0,0,0,0|1,0,1]=4 4404 B9R0.5 C#CCC(=O)CCOCC 1458a_100011220946_100011215890 [0,2,0,0,0,0|1,0,1]=4 4405 B9R0.5 C#CCC(=O)CCSCC 1458a_100000230768_100000184674 [0,2,0,0,0,0|1,0,1]=4 4406 B9R0.5 C#CCC(=O)CCSCC 1458a_100011220946_100000757381 [0,2,0,0,0,0|1,0,1]=4 4407 B9R0.5 C#CCC(=O)COCCC 1458a_100000745993_100000184674 [0,2,0,0,0,0|1,0,1]=4 4408 B9R0.5 C#CCC(=O)CSCCC 1458a_100000217233_100000184674 [0,2,0,0,0,0|1,0,1]=4 4409 B9R0.5 C#CCC(=O)NCCCC 1626a_100000102301_100011220946 [0,2,0,0,0,0|1,0,1]=4 4410 B9R0.5 C#CCC(=O)NCCCC 527a_100000102301_100011220946 [0,2,0,0,0,0|1,0,1]=4 4411 B9R0.5 C#CCCCC(=O)C#CC 1458a_100000763181_100000731252 [0,2,0,0,0,0|1,0,1]=4 4412 B9R0.5 C#CCCCC(=O)C=CC 1458a_100000210699_100000731252 [0,2,0,0,0,0|1,0,1]=4 4413 B9R0.5 C#CCCCC(=O)CCC 1458a_100000211992_100000731252 [0,2,0,0,0,0|1,0,1]=4 4414 B9R0.5 C#CCCCC(=O)CCC 1458a_100000690238_100000210303 [0,2,0,0,0,0|1,0,1]=4 4415 B9R0.5 C#CCCCC(=O)CCF 1458a_100000690238_100011217306 [0,2,0,0,0,0|1,0,1]=4 4416 B9R0.5 C#CCCCC(=O)CCO 1458a_100000690238_100000211926 [0,2,0,0,0,0|1,0,1]=4 4417 B9R0.5 C#CCCCC(=O)CCO 1458a_100011216618_100000731252 [0,2,0,0,0,0|1,0,1]=4 4418 B9R0.5 C#CCCCC(=O)COC 1458a_100000210968_100000731252 [0,2,0,0,0,0|0,0,1]=3 4419 B9R0.5 C#CCCCC(=O)CSC 1458a_100000184570_100000731252 [0,2,0,0,0,0|0,1,1]=4 4420 B9R0.5 C#CCCCC(=O)NCC 11a_100015525214_100000690238 [0,2,0,0,0,0|1,0,1]=4 4421 B9R0.5 C#CCCCC(=O)NCC 240690a_100015525214_100000690238 [0,2,0,0,0,0|1,0,1]=4 4422 B9R0.5 C#CCCCC(=O)NCC 527a_100015525214_100000690238 [0,2,0,0,0,0|1,0,1]=4 4423 B9R0.5 C#CCCCC(=O)NNC 22a_100016993582_100000690238 [0,2,0,0,0,0|1,0,1]=4 4424 B9R0.5 C#CCCNC(=O)COC 11a_100000755551_100000210968 [0,2,0,0,0,0|0,0,2]=4 4425 B9R0.5 C#CCCNC(=O)COC 1626a_100000755551_100000210968 [0,2,0,0,0,0|0,0,2]=4 4426 B9R0.5 C#CCCNC(=O)COC 240690a_100000755551_100000210968 [0,2,0,0,0,0|0,0,2]=4 4427 B9R0.5 C#CCCNC(=O)COC 527a_100000755551_100000210968 [0,2,0,0,0,0|0,0,2]=4 4428 B9R0.5 C#CCNCC(=O)OCC 34a_100000212058_100000188475 [0,2,0,0,0,0|0,0,2]=4 4429 B9R0.5 C#CCOCC(=O)OCC 34a_100000210247_100000188475 [0,2,0,0,0,0|0,0,2]=4 4430 B9R0.5 C#CCSCC(=O)OCC 62a_100000038162_100000188475 [0,2,0,0,0,0|0,0,2]=4 4431 B9R0.5 C=CCC(=O)CCCCC 1458a_100000210193_100000210326 [0,2,0,0,0,0|1,0,1]=4 4432 B9R0.5 C=CCC(=O)CCCCC 1458a_100000212188_100000210623 [0,2,0,0,0,0|1,0,1]=4 4433 B9R0.5 C=CCC(=O)CCCCF 1458a_100000210193_100000729493 [0,2,0,0,0,0|1,0,1]=4 4434 B9R0.5 C=CCC(=O)CCCCO 1458a_100000210193_100000210776 [0,2,0,0,0,0|1,0,1]=4 4435 B9R0.5 C=CCC(=O)CCCCO 1458a_100000695505_100000210623 [0,2,0,0,0,0|1,0,1]=4 4436 B9R0.5 C=CCC(=O)CCCOC 1458a_100000210193_100000740836 [0,2,0,0,0,0|1,0,1]=4 4437 B9R0.5 C=CCC(=O)CCCOC 1458a_100000741012_100000210623 [0,2,0,0,0,0|1,0,1]=4 4438 B9R0.5 C=CCC(=O)CCCSC 1458a_100000173376_100000210623 [0,2,0,0,0,0|1,0,1]=4 4439 B9R0.5 C=CCC(=O)CCOCC 1458a_100000210193_100011215890 [0,2,0,0,0,0|1,0,1]=4 4440 B9R0.5 C=CCC(=O)CCOCC 1458a_100000749530_100000210623 [0,2,0,0,0,0|1,0,1]=4 4441 B9R0.5 C=CCC(=O)CCSCC 1458a_100000210193_100000757381 [0,2,0,0,0,0|1,0,1]=4 4442 B9R0.5 C=CCC(=O)CCSCC 1458a_100000230768_100000210623 [0,2,0,0,0,0|1,0,1]=4 4443 B9R0.5 C=CCC(=O)COCCC 1458a_100000745993_100000210623 [0,2,0,0,0,0|1,0,1]=4 4444 B9R0.5 C=CCC(=O)CSCCC 1458a_100000217233_100000210623 [0,2,0,0,0,0|1,0,1]=4 4445 B9R0.5 C=CCC(=O)NCCCC 11a_100000102301_100000210193 [0,2,0,0,0,0|1,0,1]=4 4446 B9R0.5 C=CCC(=O)NCCCC 1626a_100000102301_100000210193 [0,2,0,0,0,0|1,0,1]=4 4447 B9R0.5 C=CCC(=O)NCCCC 240690a_100000102301_100000210193 [0,2,0,0,0,0|1,0,1]=4 4448 B9R0.5 C=CCC(=O)NCCCC 527a_100000102301_100000210193 [0,2,0,0,0,0|1,0,1]=4 4449 B9R0.5 C=CCCCC(=O)C#CC 1458a_100000763181_100000757094 [0,2,0,0,0,0|1,0,1]=4 4450 B9R0.5 C=CCCCC(=O)C=CC 1458a_100000210699_100000757094 [0,2,0,0,0,0|1,0,1]=4 4451 B9R0.5 C=CCCCC(=O)CCC 1458a_100000211992_100000757094 [0,2,0,0,0,0|1,0,1]=4 4452 B9R0.5 C=CCCCC(=O)CCC 1458a_100000766728_100000210303 [0,2,0,0,0,0|1,0,1]=4 4453 B9R0.5 C=CCCCC(=O)CCF 1458a_100000766728_100011217306 [0,2,0,0,0,0|1,0,1]=4 4454 B9R0.5 C=CCCCC(=O)CCO 1458a_100000766728_100000211926 [0,2,0,0,0,0|1,0,1]=4 4455 B9R0.5 C=CCCCC(=O)CCO 1458a_100011216618_100000757094 [0,2,0,0,0,0|1,0,1]=4 4456 B9R0.5 C=CCCCC(=O)COC 1458a_100000210968_100000757094 [0,2,0,0,0,0|0,0,1]=3 4457 B9R0.5 C=CCCCC(=O)CSC 1458a_100000184570_100000757094 [0,2,0,0,0,0|0,1,1]=4 4458 B9R0.5 C=CCCCC(=O)NCC 11a_100015525214_100000766728 [0,2,0,0,0,0|1,0,1]=4 4459 B9R0.5 C=CCCCC(=O)NCC 240690a_100015525214_100000766728 [0,2,0,0,0,0|1,0,1]=4 4460 B9R0.5 C=CCCCC(=O)NCC 527a_100015525214_100000766728 [0,2,0,0,0,0|1,0,1]=4 4461 B9R0.5 C=CCCCC(=O)NNC 22a_100016993582_100000766728 [0,2,0,0,0,0|1,0,1]=4 4462 B9R0.5 C=CCCNC(=O)COC 11a_100015191253_100000210968 [0,2,0,0,0,0|0,0,2]=4 4463 B9R0.5 C=CCCNC(=O)COC 1626a_100015191253_100000210968 [0,2,0,0,0,0|0,0,2]=4 4464 B9R0.5 C=CCCNC(=O)COC 240690a_100015191253_100000210968 [0,2,0,0,0,0|0,0,2]=4 4465 B9R0.5 C=CCCNC(=O)COC 527a_100015191253_100000210968 [0,2,0,0,0,0|0,0,2]=4 4466 B9R0.5 C=CCNCC(=O)OCC 2230a_100020586998_100000188475 [0,2,0,0,0,0|0,0,2]=4 4467 B9R0.5 C=CCOCC(=O)OCC 34a_200000210373_100000188475 [0,2,0,0,0,0|0,0,2]=4 4468 B9R0.5 C=CCSCC(=O)OCC 62a_100000188475_100000210623 [0,2,0,0,0,0|0,0,2]=4 4469 B9R0.5 C=CCSCC(=O)OCC 62a_100000210623_100000188475 [0,2,0,0,0,0|0,0,2]=4 4470 B9R0.5 C=COC(=O)CNCCF 34a_100000724931_100000036128 [0,2,0,0,0,0|1,0,1]=4 4471 B9R0.5 C=COC(=O)CNCCO 2230a_100016997473_100000036128 [0,2,0,0,0,0|1,0,1]=4 4472 B9R0.5 C=COC(=O)CNCCO 34a_100016990907_100000036128 [0,2,0,0,0,0|1,0,1]=4 4473 B9R0.5 C=COC(=O)COCCBr 34a_100000211926_100000036128 [0,2,0,0,0,0|1,0,1]=4 4474 B9R0.5 C=COC(=O)COCCC 34a_100000210258_100000036128 [0,2,0,0,0,0|0,0,1]=3 4475 B9R0.5 C=COC(=O)COCCN 34a_100000210304_100000036128 [0,2,0,0,0,0|1,0,1]=4 4476 B9R0.5 C=COC(=O)CSCCC 62a_100000036128_100000210303 [0,2,0,0,0,0|0,0,1]=3 4477 B9R0.5 C=COC(=O)CSCCC 62a_100000210303_100000036128 [0,2,0,0,0,0|0,0,1]=3 4478 B9R0.5 C=COC(=O)CSCCF 62a_100000036128_100011217306 [0,2,0,0,0,0|1,0,1]=4 4479 B9R0.5 C=COC(=O)CSCCF 62a_100011217306_100000036128 [0,2,0,0,0,0|1,0,1]=4 4480 B9R0.5 C=COC(=O)CSCCO 62a_100000036128_100000211926 [0,2,0,0,0,0|1,0,1]=4 4481 B9R0.5 C=COC(=O)CSCCO 62a_100000211926_100000036128 [0,2,0,0,0,0|1,0,1]=4 4482 B9R0.5 C=COC(=O)CSCOC 62a_100000036128_100000766300 [0,2,0,0,0,0|1,0,1]=4 4483 B9R0.5 C=COC(=O)CSCOC 62a_100000766300_100000036128 [0,2,0,0,0,0|1,0,1]=4 4484 B9R0.5 C=COC(=O)CSCSC 62a_100000036128_100011218213 [0,2,0,0,0,0|1,0,1]=4 4485 B9R0.5 C=COC(=O)CSCSC 62a_100011218213_100000036128 [0,2,0,0,0,0|1,0,1]=4 4486 B9R0.5 C=COCCC(=O)COC 1458a_100000210968_100000039644 [0,2,0,0,0,0|0,0,2]=4 4487 B9R0.5 CC#CC(=O)C/C=C\CC 1458a_100000763181_100103147603 [0,2,0,0,0,0|1,0,1]=4 4488 B9R0.5 CC#CC(=O)CC#CCC 1458a_100000763181_100009813939 [0,2,0,0,0,0|1,0,1]=4 4489 B9R0.5 CC#CC(=O)CCCC#N 1458a_100000763181_100000211468 [0,2,0,0,0,0|1,0,1]=4 4490 B9R0.5 CC#CC(=O)CCCCC 1458a_100000763181_100000210326 [0,2,0,0,0,0|1,0,0]=3 4491 B9R0.5 CC#CC(=O)CCCCF 1458a_100000763181_100000729493 [0,2,0,0,0,0|1,0,0]=3 4492 B9R0.5 CC#CC(=O)CCCCO 1458a_100000763181_100000210776 [0,2,0,0,0,0|1,0,0]=3 4493 B9R0.5 CC#CC(=O)CCCOC 1458a_100000763181_100000740836 [0,2,0,0,0,0|1,0,0]=3 4494 B9R0.5 CC#CC(=O)CCOCC 1458a_100000763181_100011215890 [0,2,0,0,0,0|1,0,0]=3 4495 B9R0.5 CC#CC(=O)CCSCC 1458a_100000763181_100000757381 [0,2,0,0,0,0|1,0,0]=3 4496 B9R0.5 CC#CC(=O)NNCCC 22a_100000740057_100000763181 [0,2,0,0,0,0|2,0,0]=4 4497 B9R0.5 CC#CCNC(=O)COC 11a_100000685387_100000210968 [0,2,0,0,0,0|0,0,2]=4 4498 B9R0.5 CC#CCNC(=O)COC 1626a_100000685387_100000210968 [0,2,0,0,0,0|0,0,2]=4 4499 B9R0.5 CC#CCNC(=O)COC 527a_100000685387_100000210968 [0,2,0,0,0,0|0,0,2]=4 4500 B9R0.5 CC/C=C/CC(=O)CCC 1458a_100016274230_100000210303 [0,2,0,0,0,0|1,0,1]=4 4501 B9R0.5 CC/C=C/CC(=O)CCF 1458a_100016274230_100011217306 [0,2,0,0,0,0|1,0,1]=4 4502 B9R0.5 CC/C=C/CC(=O)CCO 1458a_100016274230_100000211926 [0,2,0,0,0,0|1,0,1]=4 4503 B9R0.5 CC/C=C/CC(=O)NCC 11a_100015525214_100016274230 [0,2,0,0,0,0|1,0,1]=4 4504 B9R0.5 CC/C=C/CC(=O)NCC 240690a_100015525214_100016274230 [0,2,0,0,0,0|1,0,1]=4 4505 B9R0.5 CC/C=C/CC(=O)NCC 527a_100015525214_100016274230 [0,2,0,0,0,0|1,0,1]=4 4506 B9R0.5 CC/C=C/CC(=O)NNC 22a_100016993582_100016274230 [0,2,0,0,0,0|1,0,1]=4 4507 B9R0.5 CC/C=C\CC(=O)CCC 1458a_100000211992_100103147603 [0,2,0,0,0,0|1,0,1]=4 4508 B9R0.5 CC/C=C\CC(=O)CCO 1458a_100011216618_100103147603 [0,2,0,0,0,0|1,0,1]=4 4509 B9R0.5 CC/C=C\CC(=O)COC 1458a_100000210968_100103147603 [0,2,0,0,0,0|0,0,1]=3 4510 B9R0.5 CC/C=C\CC(=O)CSC 1458a_100000184570_100103147603 [0,2,0,0,0,0|0,1,1]=4 4511 B9R0.5 CC=CC(=O)C/C=C\CC 1458a_100000210699_100103147603 [0,2,0,0,0,0|1,0,1]=4 4512 B9R0.5 CC=CC(=O)CC#CCC 1458a_100000210699_100009813939 [0,2,0,0,0,0|1,0,1]=4 4513 B9R0.5 CC=CC(=O)CCCC#N 1458a_100000210699_100000211468 [0,2,0,0,0,0|1,0,1]=4 4514 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [0,2,0,0,0,0|1,0,0]=3 4515 B9R0.5 CC=CC(=O)CCCCF 1458a_100000210699_100000729493 [0,2,0,0,0,0|1,0,0]=3 4516 B9R0.5 CC=CC(=O)CCCCO 1458a_100000210699_100000210776 [0,2,0,0,0,0|1,0,0]=3 4517 B9R0.5 CC=CC(=O)CCCOC 1458a_100000210699_100000740836 [0,2,0,0,0,0|1,0,0]=3 4518 B9R0.5 CC=CC(=O)CCOCC 1458a_100000210699_100011215890 [0,2,0,0,0,0|1,0,0]=3 4519 B9R0.5 CC=CC(=O)CCSCC 1458a_100000210699_100000757381 [0,2,0,0,0,0|1,0,0]=3 4520 B9R0.5 CC=CC(=O)NCCCC 11a_100000102301_100000210699 [0,2,0,0,0,0|1,0,0]=3 4521 B9R0.5 CC=CC(=O)NCCCC 1626a_100000102301_100000210699 [0,2,0,0,0,0|1,0,0]=3 4522 B9R0.5 CC=CC(=O)NCCCC 240690a_100000102301_100000210699 [0,2,0,0,0,0|1,0,0]=3 4523 B9R0.5 CC=CC(=O)NCCCF 11a_100015189416_100000210699 [0,2,0,0,0,0|2,0,0]=4 4524 B9R0.5 CC=CC(=O)NCCCF 1626a_100015189416_100000210699 [0,2,0,0,0,0|2,0,0]=4 4525 B9R0.5 CC=CC(=O)NCCCF 240690a_100015189416_100000210699 [0,2,0,0,0,0|2,0,0]=4 4526 B9R0.5 CC=CC(=O)NCCCO 240690a_100000182051_100000210699 [0,2,0,0,0,0|2,0,0]=4 4527 B9R0.5 CC=CC(=O)NCCOC 1626a_100000209980_100000210699 [0,2,0,0,0,0|2,0,0]=4 4528 B9R0.5 CC=CC(=O)NCCOC 240690a_100000209980_100000210699 [0,2,0,0,0,0|2,0,0]=4 4529 B9R0.5 CC=CC(=O)NCCSC 11a_100020590264_100000210699 [0,2,0,0,0,0|2,0,0]=4 4530 B9R0.5 CC=CC(=O)NCCSC 1626a_100020590264_100000210699 [0,2,0,0,0,0|2,0,0]=4 4531 B9R0.5 CC=CC(=O)NCCSC 240690a_100020590264_100000210699 [0,2,0,0,0,0|2,0,0]=4 4532 B9R0.5 CC=CC(=O)NNCCC 22a_100000740057_100000210699 [0,2,0,0,0,0|2,0,0]=4 4533 B9R0.5 CCC#CCC(=O)CCC 1458a_100000211992_100009813939 [0,2,0,0,0,0|1,0,1]=4 4534 B9R0.5 CCC#CCC(=O)CCO 1458a_100011216618_100009813939 [0,2,0,0,0,0|1,0,1]=4 4535 B9R0.5 CCC#CCC(=O)COC 1458a_100000210968_100009813939 [0,2,0,0,0,0|0,0,1]=3 4536 B9R0.5 CCC#CCC(=O)CSC 1458a_100000184570_100009813939 [0,2,0,0,0,0|0,1,1]=4 4537 B9R0.5 CCC=NNC(=O)COC 4a_100000216845_100000210100 [0,2,0,0,0,0|1,0,1]=4 4538 B9R0.5 CCCC#CC(=O)CCC 1458a_200011218047_100000210303 [0,2,0,0,0,0|1,0,1]=4 4539 B9R0.5 CCCC#CC(=O)CCF 1458a_200011218047_100011217306 [0,2,0,0,0,0|1,0,1]=4 4540 B9R0.5 CCCC#CC(=O)CCO 1458a_200011218047_100000211926 [0,2,0,0,0,0|1,0,1]=4 4541 B9R0.5 CCCC#CC(=O)NCC 240690a_100015525214_200011218047 [0,2,0,0,0,0|1,0,1]=4 4542 B9R0.5 CCCC#CC(=O)NNC 22a_100016993582_200011218047 [0,2,0,0,0,0|1,0,1]=4 4543 B9R0.5 CCCC(=O)CCCC#N 1458a_100000075515_100000210303 [0,2,0,0,0,0|1,0,1]=4 4544 B9R0.5 CCCC(=O)CCCC#N 1458a_100000211992_100000211468 [0,2,0,0,0,0|1,0,1]=4 4545 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [0,2,0,0,0,0|1,0,0]=3 4546 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [0,2,0,0,0,0|1,0,0]=3 4547 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [0,2,0,0,0,0|1,0,0]=3 4548 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [0,2,0,0,0,0|1,0,0]=3 4549 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [0,2,0,0,0,0|1,0,0]=3 4550 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [0,2,0,0,0,0|1,0,0]=3 4551 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [0,2,0,0,0,0|1,0,0]=3 4552 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [0,2,0,0,0,0|1,0,0]=3 4553 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [0,2,0,0,0,0|1,0,0]=3 4554 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [0,2,0,0,0,0|1,0,0]=3 4555 B9R0.5 CCCC(=O)CNCCO 2230a_100016997473_100000747444 [0,2,0,0,0,0|2,0,0]=4 4556 B9R0.5 CCCC(=O)COCCO 1458a_100000708028_100000210303 [0,2,0,0,0,0|2,0,0]=4 4557 B9R0.5 CCCC(=O)CSCCF 62a_100000747444_100011217306 [0,2,0,0,0,0|2,0,0]=4 4558 B9R0.5 CCCC(=O)CSCCF 62a_100011217306_100000747444 [0,2,0,0,0,0|2,0,0]=4 4559 B9R0.5 CCCC(=O)CSCCO 62a_100000211926_100000747444 [0,2,0,0,0,0|2,0,0]=4 4560 B9R0.5 CCCC(=O)CSCCO 62a_100000747444_100000211926 [0,2,0,0,0,0|2,0,0]=4 4561 B9R0.5 CCCC(=O)CSCOC 62a_100000747444_100000766300 [0,2,0,0,0,0|2,0,0]=4 4562 B9R0.5 CCCC(=O)CSCOC 62a_100000766300_100000747444 [0,2,0,0,0,0|2,0,0]=4 4563 B9R0.5 CCCC(=O)CSCSC 62a_100000747444_100011218213 [0,2,0,0,0,0|2,0,0]=4 4564 B9R0.5 CCCC(=O)CSCSC 62a_100011218213_100000747444 [0,2,0,0,0,0|2,0,0]=4 4565 B9R0.5 CCCC(=O)NCCCF 11a_100015189416_100000211992 [0,2,0,0,0,0|2,0,0]=4 4566 B9R0.5 CCCC(=O)NCCCF 1626a_100015189416_100000211992 [0,2,0,0,0,0|2,0,0]=4 4567 B9R0.5 CCCC(=O)NCCCF 240690a_100015189416_100000211992 [0,2,0,0,0,0|2,0,0]=4 4568 B9R0.5 CCCC(=O)NCCCF 527a_100015189416_100000211992 [0,2,0,0,0,0|2,0,0]=4 4569 B9R0.5 CCCC(=O)NCCCO 240690a_100000182051_100000211992 [0,2,0,0,0,0|2,0,0]=4 4570 B9R0.5 CCCC(=O)NCCCO 527a_100000182051_100000211992 [0,2,0,0,0,0|2,0,0]=4 4571 B9R0.5 CCCC(=O)NCCOC 1626a_100000209980_100000211992 [0,2,0,0,0,0|2,0,0]=4 4572 B9R0.5 CCCC(=O)NCCOC 240690a_100000209980_100000211992 [0,2,0,0,0,0|2,0,0]=4 4573 B9R0.5 CCCC(=O)NCCOC 527a_100000209980_100000211992 [0,2,0,0,0,0|2,0,0]=4 4574 B9R0.5 CCCC(=O)NCCSC 11a_100020590264_100000211992 [0,2,0,0,0,0|2,0,0]=4 4575 B9R0.5 CCCC(=O)NCCSC 1626a_100020590264_100000211992 [0,2,0,0,0,0|2,0,0]=4 4576 B9R0.5 CCCC(=O)NCCSC 240690a_100020590264_100000211992 [0,2,0,0,0,0|2,0,0]=4 4577 B9R0.5 CCCC(=O)NCCSC 527a_100020590264_100000211992 [0,2,0,0,0,0|2,0,0]=4 4578 B9R0.5 CCCC(=O)OCNCC 2230a_100015525214_100000034017 [0,2,0,0,0,0|2,0,0]=4 4579 B9R0.5 CCCC(=O)OCOCC 34a_100121572206_100000034017 [0,2,0,0,0,0|2,0,0]=4 4580 B9R0.5 CCCC(=O)OCSCC 62a_100000210202_100000034017 [0,2,0,0,0,0|2,0,0]=4 4581 B9R0.5 CCCC=CC(=O)CCC 1458a_100000212230_100000210303 [0,2,0,0,0,0|1,0,1]=4 4582 B9R0.5 CCCC=CC(=O)CCF 1458a_100000212230_100011217306 [0,2,0,0,0,0|1,0,1]=4 4583 B9R0.5 CCCC=CC(=O)CCO 1458a_100000212230_100000211926 [0,2,0,0,0,0|1,0,1]=4 4584 B9R0.5 CCCC=CC(=O)NCC 11a_100015525214_100000212230 [0,2,0,0,0,0|1,0,1]=4 4585 B9R0.5 CCCC=CC(=O)NCC 240690a_100015525214_100000212230 [0,2,0,0,0,0|1,0,1]=4 4586 B9R0.5 CCCC=CC(=O)NNC 22a_100016993582_100000212230 [0,2,0,0,0,0|1,0,1]=4 4587 B9R0.5 CCCCCC(=O)C=CBr 1458a_100016273825_100000210326 [0,2,0,0,0,0|1,0,1]=4 4588 B9R0.5 CCCCCC(=O)C=CCl 1458a_200016279998_100000210326 [0,2,0,0,0,0|1,0,1]=4 4589 B9R0.5 CCCCCC(=O)C=CI 1458a_100016256311_100000210326 [0,2,0,0,0,0|1,0,1]=4 4590 B9R0.5 CCCCCC(=O)CC#N 1458a_100000212188_100011214920 [0,2,0,0,0,0|1,0,1]=4 4591 B9R0.5 CCCCCC(=O)CC#N 1458a_100051588842_100000210326 [0,2,0,0,0,0|1,0,1]=4 4592 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [0,2,0,0,0,0|1,0,0]=3 4593 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [0,2,0,0,0,0|1,0,0]=3 4594 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [0,2,0,0,0,0|1,0,0]=3 4595 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [0,2,0,0,0,0|1,0,0]=3 4596 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [0,2,0,0,0,0|1,0,0]=3 4597 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [0,2,0,0,0,0|1,0,0]=3 4598 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [0,2,0,0,0,0|1,0,0]=3 4599 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [0,2,0,0,0,0|1,0,0]=3 4600 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [0,2,0,0,0,0|0,0,0]=2 4601 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [0,2,0,0,0,0|0,0,0]=2 4602 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [0,2,0,0,0,0|0,1,0]=3 4603 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [0,2,0,0,0,0|0,1,0]=3 4604 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [0,2,0,0,0,0|0,1,0]=3 4605 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [0,2,0,0,0,0|0,1,0]=3 4606 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [0,2,0,0,0,0|0,1,0]=3 4607 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [0,2,0,0,0,0|1,0,0]=3 4608 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [0,2,0,0,0,0|1,0,0]=3 4609 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [0,2,0,0,0,0|1,0,0]=3 4610 B9R0.5 CCCCCC(=O)NNC 22a_100016993582_100000212188 [0,2,0,0,0,0|1,0,0]=3 4611 B9R0.5 CCCCCC(C)OCC 34a_100011215632_100000210202 [0,2,0,0,0,0|1,0,1]=4 4612 B9R0.5 CCCCCC(C)OCC 34a_100121572206_200011218191 [0,2,0,0,0,0|1,0,1]=4 4613 B9R0.5 CCCCCC(C)OCC 7a_100011215632_100000210202 [0,2,0,0,0,0|1,0,1]=4 4614 B9R0.5 CCCCCC(C)OCF 34a_100011215632_100015361967 [0,2,0,0,0,0|1,0,1]=4 4615 B9R0.5 CCCCCC(C)OCF 7a_100011215632_100015361967 [0,2,0,0,0,0|1,0,1]=4 4616 B9R0.5 CCCCCN(C)COC 2230a_100000223495_100000766300 [0,2,0,0,0,0|2,0,0]=4 4617 B9R0.5 CCCCCN(C)COC 269982a_100000223495_100000766300 [0,2,0,0,0,0|2,0,0]=4 4618 B9R0.5 CCCCNC(=O)C=CBr 1626a_100000102301_100016273825 [0,2,0,0,0,0|1,0,1]=4 4619 B9R0.5 CCCCNC(=O)C=CBr 240690a_100000102301_100016273825 [0,2,0,0,0,0|1,0,1]=4 4620 B9R0.5 CCCCNC(=O)C=CCl 11a_100000102301_200016279998 [0,2,0,0,0,0|1,0,1]=4 4621 B9R0.5 CCCCNC(=O)C=CCl 1626a_100000102301_200016279998 [0,2,0,0,0,0|1,0,1]=4 4622 B9R0.5 CCCCNC(=O)C=CCl 240690a_100000102301_200016279998 [0,2,0,0,0,0|1,0,1]=4 4623 B9R0.5 CCCCNC(=O)C=CI 1626a_100000102301_100016256311 [0,2,0,0,0,0|1,0,1]=4 4624 B9R0.5 CCCCNC(=O)CC#N 1626a_100000102301_100051588842 [0,2,0,0,0,0|1,0,1]=4 4625 B9R0.5 CCCCNC(=O)CC#N 240690a_100000102301_100051588842 [0,2,0,0,0,0|1,0,1]=4 4626 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [0,2,0,0,0,0|1,0,0]=3 4627 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [0,2,0,0,0,0|1,0,0]=3 4628 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [0,2,0,0,0,0|1,0,0]=3 4629 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [0,2,0,0,0,0|1,0,0]=3 4630 B9R0.5 CCCCNC(=O)CCO 240690a_100000102301_100011216618 [0,2,0,0,0,0|1,0,0]=3 4631 B9R0.5 CCCCNC(=O)CNC 2230a_106832991635_100000182744 [0,2,0,0,0,0|1,0,0]=3 4632 B9R0.5 CCCCNC(=O)CNC 34a_100102657272_100000182744 [0,2,0,0,0,0|1,0,0]=3 4633 B9R0.5 CCCCNC(=O)CNC 7a_106832991635_100000182744 [0,2,0,0,0,0|1,0,0]=3 4634 B9R0.5 CCCCNC(=O)COC 11a_100000102301_100000210968 [0,2,0,0,0,0|0,0,0]=2 4635 B9R0.5 CCCCNC(=O)COC 1626a_100000102301_100000210968 [0,2,0,0,0,0|0,0,0]=2 4636 B9R0.5 CCCCNC(=O)COC 240690a_100000102301_100000210968 [0,2,0,0,0,0|0,0,0]=2 4637 B9R0.5 CCCCNC(=O)COC 34a_100138415774_100000182744 [0,2,0,0,0,0|0,0,0]=2 4638 B9R0.5 CCCCNC(=O)COC 527a_100000102301_100000210968 [0,2,0,0,0,0|0,0,0]=2 4639 B9R0.5 CCCCNC(=O)CSC 11a_100000102301_100000184570 [0,2,0,0,0,0|0,1,0]=3 4640 B9R0.5 CCCCNC(=O)CSC 1626a_100000102301_100000184570 [0,2,0,0,0,0|0,1,0]=3 4641 B9R0.5 CCCCNC(=O)CSC 240690a_100000102301_100000184570 [0,2,0,0,0,0|0,1,0]=3 4642 B9R0.5 CCCCNC(=O)CSC 527a_100000102301_100000184570 [0,2,0,0,0,0|0,1,0]=3 4643 B9R0.5 CCCCNC(=O)CSC 62a_100000182744_200000210301 [0,2,0,0,0,0|0,1,0]=3 4644 B9R0.5 CCCCNC(=O)CSC 62a_200000210301_100000182744 [0,2,0,0,0,0|0,1,0]=3 4645 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_100000182744_200025704644 [0,2,0,0,0,0|0,1,0]=3 4646 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_200025704644_100000182744 [0,2,0,0,0,0|0,1,0]=3 4647 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [0,2,0,0,0,0|1,0,0]=3 4648 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [0,2,0,0,0,0|1,0,0]=3 4649 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [0,2,0,0,0,0|1,0,0]=3 4650 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [0,2,0,0,0,0|1,0,0]=3 4651 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [0,2,0,0,0,0|1,0,0]=3 4652 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [0,2,0,0,0,0|1,0,0]=3 4653 B9R0.5 CCCCNC(=O)NNC 273464a_100000102301_100016993582 [0,2,0,0,0,0|1,0,0]=3 4654 B9R0.5 CCCCNC(=O)NNC 512a_100000102301_100016993582 [0,2,0,0,0,0|1,0,0]=3 4655 B9R0.5 CCCCNC(=O)NNC 512a_100016993582_100000102301 [0,2,0,0,0,0|1,0,0]=3 4656 B9R0.5 CCCCNC(C)COC 2230a_100000102301_100000765312 [0,2,0,0,0,0|1,0,1]=4 4657 B9R0.5 CCCCNC(C)COC 270004a_100000102301_100000749346 [0,2,0,0,0,0|1,0,1]=4 4658 B9R0.5 CCCCNC(C)COC 7a_106832991798_100000765312 [0,2,0,0,0,0|1,0,1]=4 4659 B9R0.5 CCCCN[C@H](C)COC 2230a_100000764878_100000210211 [0,2,0,0,0,0|1,0,1]=4 4660 B9R0.5 CCCCOC(=O)CNC 2230a_106832991635_100000211628 [0,2,0,0,0,0|1,0,0]=3 4661 B9R0.5 CCCCOC(=O)CNC 34a_100102657272_100000211628 [0,2,0,0,0,0|1,0,0]=3 4662 B9R0.5 CCCCOC(=O)CNC 7a_106832991635_100000211628 [0,2,0,0,0,0|1,0,0]=3 4663 B9R0.5 CCCCOC(=O)COC 34a_100138415774_100000211628 [0,2,0,0,0,0|0,0,0]=2 4664 B9R0.5 CCCCOC(=O)CSC 62a_100000211628_200000210301 [0,2,0,0,0,0|0,1,0]=3 4665 B9R0.5 CCCCOC(=O)CSC 62a_200000210301_100000211628 [0,2,0,0,0,0|0,1,0]=3 4666 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_100000211628_200025704644 [0,2,0,0,0,0|0,1,0]=3 4667 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_200025704644_100000211628 [0,2,0,0,0,0|0,1,0]=3 4668 B9R0.5 CCCCOC(C)COC 34a_100000210227_100000765312 [0,2,0,0,0,0|1,0,1]=4 4669 B9R0.5 CCCCOC(C)COC 7a_100000210227_100000765312 [0,2,0,0,0,0|1,0,1]=4 4670 B9R0.5 CCCCO[C@H](C)COC 34a_100011934205_100000210210 [0,2,0,0,0,0|1,0,1]=4 4671 B9R0.5 CCCCSC(C)COC 62a_100000210211_100000765312 [0,2,0,0,0,0|1,0,1]=4 4672 B9R0.5 CCCCSC(C)COC 62a_100000765312_100000210210 [0,2,0,0,0,0|1,0,1]=4 4673 B9R0.5 CCCNCC(=O)NCC 2230a_100016988866_100000210303 [0,2,0,0,0,0|1,0,0]=3 4674 B9R0.5 CCCNCC(O)COC 2230a_100000756049_100000210303 [0,2,0,0,0,0|0,0,2]=4 4675 B9R0.5 CCCNCC(O)COC 34a_100000756049_100000210303 [0,2,0,0,0,0|0,0,2]=4 4676 B9R0.5 CCCNN=C(C)COC 4a_100000740057_100000749346 [0,2,0,0,0,0|2,0,0]=4 4677 B9R0.5 CCCNNC(=O)CCC 22a_100000740057_100000211992 [0,2,0,0,0,0|2,0,0]=4 4678 B9R0.5 CCCNNC(=O)CCO 22a_100000740057_100011216618 [0,2,0,0,0,0|2,0,0]=4 4679 B9R0.5 CCCNNC(=O)COC 22a_100000740057_100000210968 [0,2,0,0,0,0|1,0,0]=3 4680 B9R0.5 CCCNNC(=O)CSC 22a_100000740057_100000184570 [0,2,0,0,0,0|1,1,0]=4 4681 B9R0.5 CCCNNC(=O)NCC 273464a_100015525214_100000740057 [0,2,0,0,0,0|2,0,0]=4 4682 B9R0.5 CCCNNC(=O)NCC 512a_100000740057_100015525214 [0,2,0,0,0,0|2,0,0]=4 4683 B9R0.5 CCCNNC(=O)NCC 512a_100015525214_100000740057 [0,2,0,0,0,0|2,0,0]=4 4684 B9R0.5 CCCNNC(=O)NNC 512a_100000740057_100016993582 [0,2,0,0,0,0|2,0,0]=4 4685 B9R0.5 CCCNNC(=O)NNC 512a_100016993582_100000740057 [0,2,0,0,0,0|2,0,0]=4 4686 B9R0.5 CCCOCC(=O)CC#N 1458a_100000745993_100011214920 [0,2,0,0,0,0|1,0,1]=4 4687 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [0,2,0,0,0,0|1,0,0]=3 4688 B9R0.5 CCCOCC(=O)CCF 1458a_100000745993_100011217306 [0,2,0,0,0,0|1,0,0]=3 4689 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [0,2,0,0,0,0|1,0,0]=3 4690 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [0,2,0,0,0,0|1,0,0]=3 4691 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [0,2,0,0,0,0|1,0,0]=3 4692 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [0,2,0,0,0,0|1,0,0]=3 4693 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [0,2,0,0,0,0|1,0,0]=3 4694 B9R0.5 CCCOCC(=O)NCO 34a_100000210258_100000185155 [0,2,0,0,0,0|1,0,0]=3 4695 B9R0.5 CCCOCC(=O)NNC 22a_100016993582_100000745993 [0,2,0,0,0,0|1,0,0]=3 4696 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [0,2,0,0,0,0|0,0,0]=2 4697 B9R0.5 CCCOCC(N)COC 34a_100000724102_100000210303 [0,2,0,0,0,0|1,0,1]=4 4698 B9R0.5 CCCOCC(O)COC 34a_100000210258_100011215053 [0,2,0,0,0,0|0,0,2]=4 4699 B9R0.5 CCCSCC(=O)CC#N 1458a_100000217233_100011214920 [0,2,0,0,0,0|1,0,1]=4 4700 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [0,2,0,0,0,0|1,0,0]=3 4701 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [0,2,0,0,0,0|1,0,0]=3 4702 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [0,2,0,0,0,0|1,0,0]=3 4703 B9R0.5 CCCSCC(=O)CCF 1458a_100000217233_100011217306 [0,2,0,0,0,0|1,0,0]=3 4704 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [0,2,0,0,0,0|1,0,0]=3 4705 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [0,2,0,0,0,0|1,0,0]=3 4706 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [0,2,0,0,0,0|1,0,0]=3 4707 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [0,2,0,0,0,0|1,0,0]=3 4708 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [0,2,0,0,0,0|1,0,0]=3 4709 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [0,2,0,0,0,0|1,0,0]=3 4710 B9R0.5 CCCSCC(=O)NCO 62a_100000185155_100000210303 [0,2,0,0,0,0|1,0,0]=3 4711 B9R0.5 CCCSCC(=O)NCO 62a_100000210303_100000185155 [0,2,0,0,0,0|1,0,0]=3 4712 B9R0.5 CCCSCC(=O)NNC 22a_100016993582_100000217233 [0,2,0,0,0,0|1,0,0]=3 4713 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [0,2,0,0,0,0|0,0,0]=2 4714 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [0,2,0,0,0,0|0,0,0]=2 4715 B9R0.5 CCCSCC(O)COC 62a_100000210303_100011215053 [0,2,0,0,0,0|0,0,2]=4 4716 B9R0.5 CCCSCC(O)COC 62a_100011215053_100000210303 [0,2,0,0,0,0|0,0,2]=4 4717 B9R0.5 CCNC(=O)CCCC#N 11a_100015525214_100000075515 [0,2,0,0,0,0|1,0,1]=4 4718 B9R0.5 CCNC(=O)CCCC#N 240690a_100015525214_100000075515 [0,2,0,0,0,0|1,0,1]=4 4719 B9R0.5 CCNC(=O)CCCC#N 527a_100015525214_100000075515 [0,2,0,0,0,0|1,0,1]=4 4720 B9R0.5 CCNC(=O)CCCOC 11a_100015525214_100000741012 [0,2,0,0,0,0|1,0,0]=3 4721 B9R0.5 CCNC(=O)CCCOC 240690a_100015525214_100000741012 [0,2,0,0,0,0|1,0,0]=3 4722 B9R0.5 CCNC(=O)CCCOC 527a_100015525214_100000741012 [0,2,0,0,0,0|1,0,0]=3 4723 B9R0.5 CCNC(=O)CCCSC 11a_100015525214_100000173376 [0,2,0,0,0,0|1,0,0]=3 4724 B9R0.5 CCNC(=O)CCCSC 240690a_100015525214_100000173376 [0,2,0,0,0,0|1,0,0]=3 4725 B9R0.5 CCNC(=O)CCCSC 527a_100015525214_100000173376 [0,2,0,0,0,0|1,0,0]=3 4726 B9R0.5 CCNC(=O)CCNCF 34a_100025743525_100015361967 [0,2,0,0,0,0|2,0,0]=4 4727 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [0,2,0,0,0,0|1,0,0]=3 4728 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [0,2,0,0,0,0|1,0,0]=3 4729 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [0,2,0,0,0,0|1,0,0]=3 4730 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [0,2,0,0,0,0|1,0,0]=3 4731 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [0,2,0,0,0,0|1,0,0]=3 4732 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [0,2,0,0,0,0|1,0,0]=3 4733 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [0,2,0,0,0,0|1,0,0]=3 4734 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [0,2,0,0,0,0|1,0,0]=3 4735 B9R0.5 CCNC(=O)CCSCF 62a_100000737597_100015361967 [0,2,0,0,0,0|2,0,0]=4 4736 B9R0.5 CCNC(=O)CCSCF 62a_100015361967_100000737597 [0,2,0,0,0,0|2,0,0]=4 4737 B9R0.5 CCNC(=O)CNCCF 2230a_100016988866_100011217306 [0,2,0,0,0,0|2,0,0]=4 4738 B9R0.5 CCNC(=O)CNCCF 34a_100000724931_100000183381 [0,2,0,0,0,0|2,0,0]=4 4739 B9R0.5 CCNC(=O)CNCCO 2230a_100016988866_100000211926 [0,2,0,0,0,0|2,0,0]=4 4740 B9R0.5 CCNC(=O)CNCCO 2230a_100016997473_100000183381 [0,2,0,0,0,0|2,0,0]=4 4741 B9R0.5 CCNC(=O)CNCCO 34a_100016990907_100000183381 [0,2,0,0,0,0|2,0,0]=4 4742 B9R0.5 CCNC(=O)CNCOC 2230a_100016988866_100000766300 [0,2,0,0,0,0|2,0,0]=4 4743 B9R0.5 CCNC(=O)CNCSC 2230a_100016988866_100011218213 [0,2,0,0,0,0|2,0,0]=4 4744 B9R0.5 CCNC(=O)COCCBr 34a_100000211926_100000183381 [0,2,0,0,0,0|2,0,0]=4 4745 B9R0.5 CCNC(=O)COCCN 34a_100000210304_100000183381 [0,2,0,0,0,0|2,0,0]=4 4746 B9R0.5 CCNC(=O)COCCO 240690a_100015525214_100000708028 [0,2,0,0,0,0|2,0,0]=4 4747 B9R0.5 CCNC(=O)CSCCF 62a_100000183381_100011217306 [0,2,0,0,0,0|2,0,0]=4 4748 B9R0.5 CCNC(=O)CSCCF 62a_100011217306_100000183381 [0,2,0,0,0,0|2,0,0]=4 4749 B9R0.5 CCNC(=O)CSCCO 62a_100000183381_100000211926 [0,2,0,0,0,0|2,0,0]=4 4750 B9R0.5 CCNC(=O)CSCCO 62a_100000211926_100000183381 [0,2,0,0,0,0|2,0,0]=4 4751 B9R0.5 CCNC(=O)CSCOC 62a_100000183381_100000766300 [0,2,0,0,0,0|2,0,0]=4 4752 B9R0.5 CCNC(=O)CSCOC 62a_100000766300_100000183381 [0,2,0,0,0,0|2,0,0]=4 4753 B9R0.5 CCNC(=O)CSCSC 62a_100000183381_100011218213 [0,2,0,0,0,0|2,0,0]=4 4754 B9R0.5 CCNC(=O)CSCSC 62a_100011218213_100000183381 [0,2,0,0,0,0|2,0,0]=4 4755 B9R0.5 CCNC(=O)NCCCF 2708a_100015189416_100015525214 [0,2,0,0,0,0|2,0,0]=4 4756 B9R0.5 CCNC(=O)NCCCF 2708a_100015525214_100015189416 [0,2,0,0,0,0|2,0,0]=4 4757 B9R0.5 CCNC(=O)NCCCF 273464a_100015189416_100015525214 [0,2,0,0,0,0|2,0,0]=4 4758 B9R0.5 CCNC(=O)NCCCF 273464a_100015525214_100015189416 [0,2,0,0,0,0|2,0,0]=4 4759 B9R0.5 CCNC(=O)NCCCF 512a_100015189416_100015525214 [0,2,0,0,0,0|2,0,0]=4 4760 B9R0.5 CCNC(=O)NCCCF 512a_100015525214_100015189416 [0,2,0,0,0,0|2,0,0]=4 4761 B9R0.5 CCNC(=O)NCCCO 2708a_100015525214_100000182051 [0,2,0,0,0,0|2,0,0]=4 4762 B9R0.5 CCNC(=O)NCCCO 273464a_100000182051_100015525214 [0,2,0,0,0,0|2,0,0]=4 4763 B9R0.5 CCNC(=O)NCCCO 273464a_100015525214_100000182051 [0,2,0,0,0,0|2,0,0]=4 4764 B9R0.5 CCNC(=O)NCCCO 512a_100015525214_100000182051 [0,2,0,0,0,0|2,0,0]=4 4765 B9R0.5 CCNC(=O)NCCOC 2708a_100015525214_100000209980 [0,2,0,0,0,0|2,0,0]=4 4766 B9R0.5 CCNC(=O)NCCOC 273464a_100000209980_100015525214 [0,2,0,0,0,0|2,0,0]=4 4767 B9R0.5 CCNC(=O)NCCOC 273464a_100015525214_100000209980 [0,2,0,0,0,0|2,0,0]=4 4768 B9R0.5 CCNC(=O)NCCSC 2708a_100015525214_100020590264 [0,2,0,0,0,0|2,0,0]=4 4769 B9R0.5 CCNC(=O)NCCSC 2708a_100020590264_100015525214 [0,2,0,0,0,0|2,0,0]=4 4770 B9R0.5 CCNC(=O)NCCSC 273464a_100015525214_100020590264 [0,2,0,0,0,0|2,0,0]=4 4771 B9R0.5 CCNC(=O)NCCSC 273464a_100020590264_100015525214 [0,2,0,0,0,0|2,0,0]=4 4772 B9R0.5 CCNC(=O)NCCSC 512a_100015525214_100020590264 [0,2,0,0,0,0|2,0,0]=4 4773 B9R0.5 CCNC(=O)NCCSC 512a_100020590264_100015525214 [0,2,0,0,0,0|2,0,0]=4 4774 B9R0.5 CCNCCC(=O)NCC 2230a_100015525214_100000737597 [0,2,0,0,0,0|1,0,0]=3 4775 B9R0.5 CCNCCC(=O)NCC 34a_100025743525_100000210202 [0,2,0,0,0,0|1,0,0]=3 4776 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [0,2,0,0,0,0|0,0,0]=2 4777 B9R0.5 CCNN=CC(=O)OCC 4a_100000756455_100000742314 [0,2,0,0,0,0|1,0,1]=4 4778 B9R0.5 CCOC(=O)/C=C/CNC 2230a_106832991635_100016267167 [0,2,0,0,0,0|0,0,2]=4 4779 B9R0.5 CCOC(=O)/C=C/CNC 34a_100102657272_100016267167 [0,2,0,0,0,0|0,0,2]=4 4780 B9R0.5 CCOC(=O)/C=C/CNC 7a_106832991635_100016267167 [0,2,0,0,0,0|0,0,2]=4 4781 B9R0.5 CCOC(=O)/C=C/COC 34a_100138415774_100016267167 [0,2,0,0,0,0|0,0,2]=4 4782 B9R0.5 CCOC(=O)/C=C/CSC 62a_100016267167_200000210301 [0,2,0,0,0,0|0,0,2]=4 4783 B9R0.5 CCOC(=O)/C=C/CSC 62a_200000210301_100016267167 [0,2,0,0,0,0|0,0,2]=4 4784 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_100016267167_200025704644 [0,2,0,0,0,0|0,0,2]=4 4785 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_200025704644_100016267167 [0,2,0,0,0,0|0,0,2]=4 4786 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [0,2,0,0,0,0|0,0,0]=2 4787 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [0,2,0,0,0,0|0,0,0]=2 4788 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [0,2,0,0,0,0|0,0,0]=2 4789 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [0,2,0,0,0,0|0,0,0]=2 4790 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [0,2,0,0,0,0|0,0,0]=2 4791 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [0,2,0,0,0,0|0,0,0]=2 4792 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [0,2,0,0,0,0|0,0,0]=2 4793 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [0,2,0,0,0,0|0,0,0]=2 4794 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [0,2,0,0,0,0|0,0,0]=2 4795 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [0,2,0,0,0,0|0,0,0]=2 4796 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [0,2,0,0,0,0|0,0,0]=2 4797 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [0,2,0,0,0,0|0,0,0]=2 4798 B9R0.5 CCOC(=O)CCSCF 62a_100000765890_100015361967 [0,2,0,0,0,0|1,0,0]=3 4799 B9R0.5 CCOC(=O)CCSCF 62a_100015361967_100000765890 [0,2,0,0,0,0|1,0,0]=3 4800 B9R0.5 CCOC(=O)CNCCF 34a_100000724931_100000188475 [0,2,0,0,0,0|1,0,0]=3 4801 B9R0.5 CCOC(=O)CNCCO 2230a_100016997473_100000188475 [0,2,0,0,0,0|1,0,0]=3 4802 B9R0.5 CCOC(=O)CNCCO 34a_100016990907_100000188475 [0,2,0,0,0,0|1,0,0]=3 4803 B9R0.5 CCOC(=O)COCCBr 34a_100000211926_100000188475 [0,2,0,0,0,0|1,0,0]=3 4804 B9R0.5 CCOC(=O)COCCN 34a_100000210304_100000188475 [0,2,0,0,0,0|1,0,0]=3 4805 B9R0.5 CCOC(=O)CSCC#N 62a_100000188475_100011215382 [0,2,0,0,0,0|1,0,1]=4 4806 B9R0.5 CCOC(=O)CSCC#N 62a_100011215382_100000188475 [0,2,0,0,0,0|1,0,1]=4 4807 B9R0.5 CCOC(=O)CSCC=O 62a_100000188475_200015260668 [0,2,0,0,0,0|1,0,1]=4 4808 B9R0.5 CCOC(=O)CSCC=O 62a_200015260668_100000188475 [0,2,0,0,0,0|1,0,1]=4 4809 B9R0.5 CCOC(=O)CSCCF 62a_100000188475_100011217306 [0,2,0,0,0,0|1,0,0]=3 4810 B9R0.5 CCOC(=O)CSCCF 62a_100011217306_100000188475 [0,2,0,0,0,0|1,0,0]=3 4811 B9R0.5 CCOC(=O)CSCCO 62a_100000188475_100000211926 [0,2,0,0,0,0|1,0,0]=3 4812 B9R0.5 CCOC(=O)CSCCO 62a_100000211926_100000188475 [0,2,0,0,0,0|1,0,0]=3 4813 B9R0.5 CCOC(=O)CSCOC 62a_100000188475_100000766300 [0,2,0,0,0,0|1,0,0]=3 4814 B9R0.5 CCOC(=O)CSCOC 62a_100000766300_100000188475 [0,2,0,0,0,0|1,0,0]=3 4815 B9R0.5 CCOC(=O)CSCSC 62a_100000188475_100011218213 [0,2,0,0,0,0|1,0,0]=3 4816 B9R0.5 CCOC(=O)CSCSC 62a_100011218213_100000188475 [0,2,0,0,0,0|1,0,0]=3 4817 B9R0.5 CCOC(=O)NCCNC 7a_106832991635_200011445536 [0,2,0,0,0,0|1,0,0]=3 4818 B9R0.5 CCOC(=O)NCCOC 34a_100000158857_200000210301 [0,2,0,0,0,0|1,0,0]=3 4819 B9R0.5 CCOC(=O)NCCO[13CH3] 34a_100000158857_200025704644 [0,2,0,0,0,0|1,0,0]=3 4820 B9R0.5 CCOC(=O)NCCSC 62a_200000210301_200011445536 [0,2,0,0,0,0|1,0,0]=3 4821 B9R0.5 CCOC(=O)NCCS[13CH3] 62a_200025704644_200011445536 [0,2,0,0,0,0|1,0,0]=3 4822 B9R0.5 CCOC(=O)OCSCC 62a_100000210202_100000075025 [0,2,0,0,0,0|1,0,0]=3 4823 B9R0.5 CCOC(=O)OCSCF 62a_100015361967_100000075025 [0,2,0,0,0,0|2,0,0]=4 4824 B9R0.5 CCOC(C)CCCOC 34a_200011539412_100000210202 [0,2,0,0,0,0|1,0,1]=4 4825 B9R0.5 CCOC(C)CCCOC 7a_200011539412_100000210202 [0,2,0,0,0,0|1,0,1]=4 4826 B9R0.5 CCOCCC(=O)C=CBr 1458a_100016273825_100011215890 [0,2,0,0,0,0|1,0,1]=4 4827 B9R0.5 CCOCCC(=O)C=CCl 1458a_200016279998_100011215890 [0,2,0,0,0,0|1,0,1]=4 4828 B9R0.5 CCOCCC(=O)C=CI 1458a_100016256311_100011215890 [0,2,0,0,0,0|1,0,1]=4 4829 B9R0.5 CCOCCC(=O)CC#N 1458a_100000749530_100011214920 [0,2,0,0,0,0|1,0,1]=4 4830 B9R0.5 CCOCCC(=O)CC#N 1458a_100051588842_100011215890 [0,2,0,0,0,0|1,0,1]=4 4831 B9R0.5 CCOCCC(=O)CCF 1458a_100000749530_100011217306 [0,2,0,0,0,0|1,0,0]=3 4832 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [0,2,0,0,0,0|1,0,0]=3 4833 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [0,2,0,0,0,0|1,0,0]=3 4834 B9R0.5 CCOCCC(=O)COC 1458a_100000210968_100011215890 [0,2,0,0,0,0|0,0,0]=2 4835 B9R0.5 CCOCCC(=O)CSC 1458a_100000184570_100011215890 [0,2,0,0,0,0|0,1,0]=3 4836 B9R0.5 CCOCCC(=O)NNC 22a_100016993582_100000749530 [0,2,0,0,0,0|1,0,0]=3 4837 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [0,2,0,0,0,0|0,0,0]=2 4838 B9R0.5 CCSCCC(=O)C=CBr 1458a_100016273825_100000757381 [0,2,0,0,0,0|1,0,1]=4 4839 B9R0.5 CCSCCC(=O)C=CCl 1458a_200016279998_100000757381 [0,2,0,0,0,0|1,0,1]=4 4840 B9R0.5 CCSCCC(=O)C=CI 1458a_100016256311_100000757381 [0,2,0,0,0,0|1,0,1]=4 4841 B9R0.5 CCSCCC(=O)CC#N 1458a_100000230768_100011214920 [0,2,0,0,0,0|1,0,1]=4 4842 B9R0.5 CCSCCC(=O)CC#N 1458a_100051588842_100000757381 [0,2,0,0,0,0|1,0,1]=4 4843 B9R0.5 CCSCCC(=O)CCF 1458a_100000230768_100011217306 [0,2,0,0,0,0|1,0,0]=3 4844 B9R0.5 CCSCCC(=O)CCO 1458a_100000230768_100000211926 [0,2,0,0,0,0|1,0,0]=3 4845 B9R0.5 CCSCCC(=O)CCO 1458a_100011216618_100000757381 [0,2,0,0,0,0|1,0,0]=3 4846 B9R0.5 CCSCCC(=O)COC 1458a_100000210968_100000757381 [0,2,0,0,0,0|0,0,0]=2 4847 B9R0.5 CCSCCC(=O)CSC 1458a_100000184570_100000757381 [0,2,0,0,0,0|0,1,0]=3 4848 B9R0.5 CCSCCC(=O)NNC 22a_100016993582_100000230768 [0,2,0,0,0,0|1,0,0]=3 4849 B9R0.5 CNCC(=O)NCCOC 2230a_100000754632_200000210301 [0,2,0,0,0,0|2,0,0]=4 4850 B9R0.5 CNCC(=O)NCCOC 2230a_106832991635_100000183275 [0,2,0,0,0,0|2,0,0]=4 4851 B9R0.5 CNCC(=O)NCCOC 34a_100102657272_100000183275 [0,2,0,0,0,0|2,0,0]=4 4852 B9R0.5 CNCC(=O)NCCOC 7a_106832991635_100000183275 [0,2,0,0,0,0|2,0,0]=4 4853 B9R0.5 CNCC(=O)OCCOC 2230a_106832991635_200000040189 [0,2,0,0,0,0|2,0,0]=4 4854 B9R0.5 CNCC(=O)OCCOC 34a_100102657272_200000040189 [0,2,0,0,0,0|2,0,0]=4 4855 B9R0.5 CNCC(=O)OCCOC 7a_106832991635_200000040189 [0,2,0,0,0,0|2,0,0]=4 4856 B9R0.5 CNNC(=O)CCCC#N 22a_100016993582_100000075515 [0,2,0,0,0,0|1,0,1]=4 4857 B9R0.5 CNNC(=O)CCCOC 22a_100016993582_100000741012 [0,2,0,0,0,0|1,0,0]=3 4858 B9R0.5 CNNC(=O)CCCSC 22a_100016993582_100000173376 [0,2,0,0,0,0|1,0,0]=3 4859 B9R0.5 CNNC(=O)NCCCF 273464a_100015189416_100016993582 [0,2,0,0,0,0|2,0,0]=4 4860 B9R0.5 CNNC(=O)NCCCF 512a_100015189416_100016993582 [0,2,0,0,0,0|2,0,0]=4 4861 B9R0.5 CNNC(=O)NCCCF 512a_100016993582_100015189416 [0,2,0,0,0,0|2,0,0]=4 4862 B9R0.5 CNNC(=O)NCCCO 273464a_100000182051_100016993582 [0,2,0,0,0,0|2,0,0]=4 4863 B9R0.5 CNNC(=O)NCCCO 512a_100016993582_100000182051 [0,2,0,0,0,0|2,0,0]=4 4864 B9R0.5 CNNC(=O)NCCOC 273464a_100000209980_100016993582 [0,2,0,0,0,0|2,0,0]=4 4865 B9R0.5 CNNC(=O)NCCSC 273464a_100020590264_100016993582 [0,2,0,0,0,0|2,0,0]=4 4866 B9R0.5 CNNC(=O)NCCSC 512a_100016993582_100020590264 [0,2,0,0,0,0|2,0,0]=4 4867 B9R0.5 CNNC(=O)NCCSC 512a_100020590264_100016993582 [0,2,0,0,0,0|2,0,0]=4 4868 B9R0.5 COCC(=O)CC#CCO 1458a_100000210968_200000047223 [0,2,0,0,0,0|0,0,2]=4 4869 B9R0.5 COCC(=O)CCCC#N 1458a_100000210968_100000211468 [0,2,0,0,0,0|0,0,1]=3 4870 B9R0.5 COCC(=O)CCCCF 1458a_100000210968_100000729493 [0,2,0,0,0,0|0,0,0]=2 4871 B9R0.5 COCC(=O)CCCCO 1458a_100000210968_100000210776 [0,2,0,0,0,0|0,0,0]=2 4872 B9R0.5 COCC(=O)NCCC#N 11a_100000720768_100000210968 [0,2,0,0,0,0|1,0,1]=4 4873 B9R0.5 COCC(=O)NCCC#N 1626a_100000720768_100000210968 [0,2,0,0,0,0|1,0,1]=4 4874 B9R0.5 COCC(=O)NCCC#N 240690a_100000720768_100000210968 [0,2,0,0,0,0|1,0,1]=4 4875 B9R0.5 COCC(=O)NCCC#N 527a_100000720768_100000210968 [0,2,0,0,0,0|1,0,1]=4 4876 B9R0.5 COCC(=O)NCCCF 11a_100015189416_100000210968 [0,2,0,0,0,0|1,0,0]=3 4877 B9R0.5 COCC(=O)NCCCF 1626a_100015189416_100000210968 [0,2,0,0,0,0|1,0,0]=3 4878 B9R0.5 COCC(=O)NCCCF 240690a_100015189416_100000210968 [0,2,0,0,0,0|1,0,0]=3 4879 B9R0.5 COCC(=O)NCCCF 527a_100015189416_100000210968 [0,2,0,0,0,0|1,0,0]=3 4880 B9R0.5 COCC(=O)NCCCO 240690a_100000182051_100000210968 [0,2,0,0,0,0|1,0,0]=3 4881 B9R0.5 COCC(=O)NCCCO 527a_100000182051_100000210968 [0,2,0,0,0,0|1,0,0]=3 4882 B9R0.5 COCC(=O)NCCSC 11a_100020590264_100000210968 [0,2,0,0,0,0|1,0,0]=3 4883 B9R0.5 COCC(=O)NCCSC 1626a_100020590264_100000210968 [0,2,0,0,0,0|1,0,0]=3 4884 B9R0.5 COCC(=O)NCCSC 240690a_100020590264_100000210968 [0,2,0,0,0,0|1,0,0]=3 4885 B9R0.5 COCC(=O)NCCSC 527a_100020590264_100000210968 [0,2,0,0,0,0|1,0,0]=3 4886 B9R0.5 COCC(=O)NNCCO 22a_100000210001_100000210968 [0,2,0,0,0,0|2,0,0]=4 4887 B9R0.5 COCCCC(=O)C=CBr 1458a_100016273825_100000740836 [0,2,0,0,0,0|1,0,1]=4 4888 B9R0.5 COCCCC(=O)C=CCl 1458a_200016279998_100000740836 [0,2,0,0,0,0|1,0,1]=4 4889 B9R0.5 COCCCC(=O)C=CI 1458a_100016256311_100000740836 [0,2,0,0,0,0|1,0,1]=4 4890 B9R0.5 COCCCC(=O)CC#N 1458a_100000741012_100011214920 [0,2,0,0,0,0|1,0,1]=4 4891 B9R0.5 COCCCC(=O)CC#N 1458a_100051588842_100000740836 [0,2,0,0,0,0|1,0,1]=4 4892 B9R0.5 COCCCC(=O)CCF 1458a_100000741012_100011217306 [0,2,0,0,0,0|1,0,0]=3 4893 B9R0.5 COCCCC(=O)CCO 1458a_100000741012_100000211926 [0,2,0,0,0,0|1,0,0]=3 4894 B9R0.5 COCCCC(=O)CCO 1458a_100011216618_100000740836 [0,2,0,0,0,0|1,0,0]=3 4895 B9R0.5 COCCCC(=O)COC 1458a_100000210968_100000740836 [0,2,0,0,0,0|0,0,0]=2 4896 B9R0.5 COCCCC(=O)CSC 1458a_100000184570_100000740836 [0,2,0,0,0,0|0,1,0]=3 4897 B9R0.5 COCCCC(C)OCF 34a_200011539412_100015361967 [0,2,0,0,0,0|1,0,1]=4 4898 B9R0.5 COCCCC(C)OCF 7a_200011539412_100015361967 [0,2,0,0,0,0|1,0,1]=4 4899 B9R0.5 COCCCN(C)COC 2230a_100000224831_100000766300 [0,2,0,0,0,0|2,0,0]=4 4900 B9R0.5 COCCCN(C)COC 269982a_100000224831_100000766300 [0,2,0,0,0,0|2,0,0]=4 4901 B9R0.5 COCCNC(=O)CCO 240690a_100000209980_100011216618 [0,2,0,0,0,0|2,0,0]=4 4902 B9R0.5 COCCNC(=O)CN[13CH3] 2230a_100000754632_200025704644 [0,2,0,0,0,0|2,0,0]=4 4903 B9R0.5 COCCNC(=O)COC 1626a_100000209980_100000210968 [0,2,0,0,0,0|1,0,0]=3 4904 B9R0.5 COCCNC(=O)COC 240690a_100000209980_100000210968 [0,2,0,0,0,0|1,0,0]=3 4905 B9R0.5 COCCNC(=O)COC 34a_100138415774_100000183275 [0,2,0,0,0,0|1,0,0]=3 4906 B9R0.5 COCCNC(=O)COC 527a_100000209980_100000210968 [0,2,0,0,0,0|1,0,0]=3 4907 B9R0.5 COCCNC(=O)CSC 1626a_100000209980_100000184570 [0,2,0,0,0,0|1,1,0]=4 4908 B9R0.5 COCCNC(=O)CSC 240690a_100000209980_100000184570 [0,2,0,0,0,0|1,1,0]=4 4909 B9R0.5 COCCNC(=O)CSC 527a_100000209980_100000184570 [0,2,0,0,0,0|1,1,0]=4 4910 B9R0.5 COCCNC(=O)CSC 62a_100000183275_200000210301 [0,2,0,0,0,0|1,1,0]=4 4911 B9R0.5 COCCNC(=O)CSC 62a_200000210301_100000183275 [0,2,0,0,0,0|1,1,0]=4 4912 B9R0.5 COCCNC(=O)CS[13CH3] 62a_100000183275_200025704644 [0,2,0,0,0,0|1,1,0]=4 4913 B9R0.5 COCCNC(=O)CS[13CH3] 62a_200025704644_100000183275 [0,2,0,0,0,0|1,1,0]=4 4914 B9R0.5 COCCOC(=O)COC 34a_100138415774_200000040189 [0,2,0,0,0,0|1,0,0]=3 4915 B9R0.5 COCCOC(=O)CSC 62a_200000040189_200000210301 [0,2,0,0,0,0|1,1,0]=4 4916 B9R0.5 COCCOC(=O)CSC 62a_200000210301_200000040189 [0,2,0,0,0,0|1,1,0]=4 4917 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200000040189_200025704644 [0,2,0,0,0,0|1,1,0]=4 4918 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200025704644_200000040189 [0,2,0,0,0,0|1,1,0]=4 4919 B9R0.5 COCN(C)CCCCO 2230a_100000717598_100000766300 [0,2,0,0,0,0|2,0,0]=4 4920 B9R0.5 COCN(C)CCCCO 269982a_100000717598_100000766300 [0,2,0,0,0,0|2,0,0]=4 4921 B9R0.5 COCSCC(=O)NCO 62a_100000185155_100000766300 [0,2,0,0,0,0|2,0,0]=4 4922 B9R0.5 COCSCC(=O)NCO 62a_100000766300_100000185155 [0,2,0,0,0,0|2,0,0]=4 4923 B9R0.5 COC[C@@H](N)CCCCN 34a_100016993712_200000210301 [0,2,0,0,0,0|1,0,1]=4 4924 B9R0.5 CSCC(=O)CCCC#N 1458a_100000184570_100000211468 [0,2,0,0,0,0|0,1,1]=4 4925 B9R0.5 CSCC(=O)CCCCF 1458a_100000184570_100000729493 [0,2,0,0,0,0|0,1,0]=3 4926 B9R0.5 CSCC(=O)CCCCO 1458a_100000184570_100000210776 [0,2,0,0,0,0|0,1,0]=3 4927 B9R0.5 CSCC(=O)NCCCF 11a_100015189416_100000184570 [0,2,0,0,0,0|1,1,0]=4 4928 B9R0.5 CSCC(=O)NCCCF 1626a_100015189416_100000184570 [0,2,0,0,0,0|1,1,0]=4 4929 B9R0.5 CSCC(=O)NCCCF 240690a_100015189416_100000184570 [0,2,0,0,0,0|1,1,0]=4 4930 B9R0.5 CSCC(=O)NCCCF 527a_100015189416_100000184570 [0,2,0,0,0,0|1,1,0]=4 4931 B9R0.5 CSCC(=O)NCCCO 240690a_100000182051_100000184570 [0,2,0,0,0,0|1,1,0]=4 4932 B9R0.5 CSCC(=O)NCCCO 527a_100000182051_100000184570 [0,2,0,0,0,0|1,1,0]=4 4933 B9R0.5 CSCCCC(=O)CC#N 1458a_100000173376_100011214920 [0,2,0,0,0,0|1,0,1]=4 4934 B9R0.5 CSCCCC(=O)CCF 1458a_100000173376_100011217306 [0,2,0,0,0,0|1,0,0]=3 4935 B9R0.5 CSCCCC(=O)CCO 1458a_100000173376_100000211926 [0,2,0,0,0,0|1,0,0]=3 4936 B9R0.5 CSCCNC(=O)CCO 240690a_100020590264_100011216618 [0,2,0,0,0,0|2,0,0]=4 4937 B9R0.5 CSCCNC(=O)CSC 11a_100020590264_100000184570 [0,2,0,0,0,0|1,1,0]=4 4938 B9R0.5 CSCCNC(=O)CSC 1626a_100020590264_100000184570 [0,2,0,0,0,0|1,1,0]=4 4939 B9R0.5 CSCCNC(=O)CSC 240690a_100020590264_100000184570 [0,2,0,0,0,0|1,1,0]=4 4940 B9R0.5 CSCCNC(=O)CSC 527a_100020590264_100000184570 [0,2,0,0,0,0|1,1,0]=4 4941 B9R0.5 CSCSCC(=O)NCO 62a_100000185155_100011218213 [0,2,0,0,0,0|2,0,0]=4 4942 B9R0.5 CSCSCC(=O)NCO 62a_100011218213_100000185155 [0,2,0,0,0,0|2,0,0]=4 4943 B9R0.5 N#CCC(=O)CCCCF 1458a_100051588842_100000729493 [0,2,0,0,0,0|1,0,1]=4 4944 B9R0.5 N#CCC(=O)CCCCO 1458a_100000695505_100011214920 [0,2,0,0,0,0|1,0,1]=4 4945 B9R0.5 N#CCC(=O)CCCCO 1458a_100051588842_100000210776 [0,2,0,0,0,0|1,0,1]=4 4946 B9R0.5 N#CCCCC(=O)CCF 1458a_100000075515_100011217306 [0,2,0,0,0,0|1,0,1]=4 4947 B9R0.5 N#CCCCC(=O)CCO 1458a_100000075515_100000211926 [0,2,0,0,0,0|1,0,1]=4 4948 B9R0.5 N#CCCCC(=O)CCO 1458a_100011216618_100000211468 [0,2,0,0,0,0|1,0,1]=4 4949 B9R0.5 NCCOCC(=O)NCO 34a_100000210304_100000185155 [0,2,0,0,0,0|2,0,0]=4 4950 B9R0.5 O=C(C=CBr)CCCCF 1458a_100016273825_100000729493 [0,2,0,0,0,0|1,0,1]=4 4951 B9R0.5 O=C(C=CBr)CCCCO 1458a_100016273825_100000210776 [0,2,0,0,0,0|1,0,1]=4 4952 B9R0.5 O=C(C=CCl)CCCCF 1458a_200016279998_100000729493 [0,2,0,0,0,0|1,0,1]=4 4953 B9R0.5 O=C(C=CCl)CCCCO 1458a_200016279998_100000210776 [0,2,0,0,0,0|1,0,1]=4 4954 B9R0.5 O=C(C=CI)CCCCF 1458a_100016256311_100000729493 [0,2,0,0,0,0|1,0,1]=4 4955 B9R0.5 O=C(C=CI)CCCCO 1458a_100016256311_100000210776 [0,2,0,0,0,0|1,0,1]=4 4956 B9R0.5 O=C(CCF)CCCCO 1458a_100000695505_100011217306 [0,2,0,0,0,0|1,0,0]=3 4957 B9R0.5 O=C(CCF)COCCO 1458a_100000708028_100011217306 [0,2,0,0,0,0|2,0,0]=4 4958 B9R0.5 O=C(CCO)CCCCF 1458a_100011216618_100000729493 [0,2,0,0,0,0|1,0,0]=3 4959 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [0,2,0,0,0,0|1,0,0]=3 4960 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [0,2,0,0,0,0|1,0,0]=3 4961 B9R0.5 O=C(CCO)COCCO 1458a_100000708028_100000211926 [0,2,0,0,0,0|2,0,0]=4 4962 B9R0.5 O=C(CCO)NCCCF 240690a_100015189416_100011216618 [0,2,0,0,0,0|2,0,0]=4 4963 B9R0.5 O=C(CCO)NCCCO 240690a_100000182051_100011216618 [0,2,0,0,0,0|2,0,0]=4 4964 B9R0.5 O=C(CNCCF)NCO 34a_100000724931_100000185155 [0,2,0,0,0,0|2,0,0]=4 4965 B9R0.5 O=C(CNCCO)NCO 2230a_100016997473_100000185155 [0,2,0,0,0,0|2,0,0]=4 4966 B9R0.5 O=C(CNCCO)NCO 34a_100016990907_100000185155 [0,2,0,0,0,0|2,0,0]=4 4967 B9R0.5 O=C(COCCBr)NCO 34a_100000211926_100000185155 [0,2,0,0,0,0|2,0,0]=4 4968 B9R0.5 O=C(CSCCF)NCO 62a_100000185155_100011217306 [0,2,0,0,0,0|2,0,0]=4 4969 B9R0.5 O=C(CSCCF)NCO 62a_100011217306_100000185155 [0,2,0,0,0,0|2,0,0]=4 4970 B9R0.5 O=C(CSCCO)NCO 62a_100000185155_100000211926 [0,2,0,0,0,0|2,0,0]=4 4971 B9R0.5 O=C(CSCCO)NCO 62a_100000211926_100000185155 [0,2,0,0,0,0|2,0,0]=4 4972 B9R0.5 [13CH3]OC[C@@H](N)CCCCN 34a_100016993712_200025704644 [0,2,0,0,0,0|1,0,1]=4 4973 B9R0.8 C#CC(=O)C(C)CCCC 1458a_100000211873_200011215066 [0,2,0,0,0,0|1,0,1]=4 4974 B9R0.8 C#CC(C)C(=O)CCCC 1458a_100000210183_200000035995 [0,2,0,0,0,0|1,0,0]=3 4975 B9R0.8 C#CC(C)C(=O)CCOC 1458a_100000749529_200000035995 [0,2,0,0,0,0|2,0,0]=4 4976 B9R0.8 C#CC(C)C(=O)CCSC 1458a_100000174002_200000035995 [0,2,0,0,0,0|2,0,0]=4 4977 B9R0.8 C#CC(C)C(=O)COCC 1458a_100000211967_200000035995 [0,2,0,0,0,0|2,0,0]=4 4978 B9R0.8 C#CC(C)C(=O)CSCC 1458a_100000230394_200000035995 [0,2,0,0,0,0|2,0,0]=4 4979 B9R0.8 C#CCCC(=O)C(C)OC 1458a_100000743197_100000753159 [0,2,0,0,0,0|0,0,2]=4 4980 B9R0.8 C#CCNC(C)C(=O)OC 34a_100000212058_100000211248 [0,2,0,0,0,0|0,0,2]=4 4981 B9R0.8 C#CCOC(C)C(=O)OC 34a_100000210247_100000211248 [0,2,0,0,0,0|0,0,2]=4 4982 B9R0.8 C#CCOC(C)C(=O)OC 34a_100011215400_100000184674 [0,2,0,0,0,0|0,0,2]=4 4983 B9R0.8 C#CCSC(C)C(=O)OC 62a_100000038162_100000211248 [0,2,0,0,0,0|0,0,2]=4 4984 B9R0.8 C/C=C(\C)/C(=O)CCCC 1458a_100020587367_100000210211 [0,2,0,0,0,0|1,0,0]=3 4985 B9R0.8 C/C=C(\C)/C(=O)CCCF 1458a_100020587367_100011934791 [0,2,0,0,0,0|2,0,0]=4 4986 B9R0.8 C/C=C(\C)/C(=O)CCCO 1458a_100020587367_100011215043 [0,2,0,0,0,0|2,0,0]=4 4987 B9R0.8 C/C=C(\C)/C(=O)CCOC 1458a_100020587367_100000233755 [0,2,0,0,0,0|2,0,0]=4 4988 B9R0.8 C/C=C(\C)/C(=O)CCSC 1458a_100020587367_100000751147 [0,2,0,0,0,0|2,0,0]=4 4989 B9R0.8 C/C=C(\C)/C(=O)NCCC 11a_100020643023_100020587367 [0,2,0,0,0,0|2,0,0]=4 4990 B9R0.8 C/C=C(\C)/C(=O)NCCC 1626a_100020643023_100020587367 [0,2,0,0,0,0|2,0,0]=4 4991 B9R0.8 C/C=C(\C)/C(C)NCCC 269862a_100020643023_100020675665 [0,2,0,0,0,0|2,0,0]=4 4992 B9R0.8 C/C=C/CC(=O)C(C)OC 1458a_100000743197_100102629194 [0,2,0,0,0,0|0,0,2]=4 4993 B9R0.8 C=C(COCC)C(=O)OC 34a_100121572206_100009813391 [0,2,0,0,0,0|0,0,1]=3 4994 B9R0.8 C=C(CSCC)C(=O)OC 62a_100000210202_100009813391 [0,2,0,0,0,0|0,0,1]=3 4995 B9R0.8 C=C(CSCC)C(=O)OC 62a_100009813391_100000210202 [0,2,0,0,0,0|0,0,1]=3 4996 B9R0.8 C=C(CSCF)C(=O)OC 62a_100009813391_100015361967 [0,2,0,0,0,0|1,0,1]=4 4997 B9R0.8 C=C(CSCF)C(=O)OC 62a_100015361967_100009813391 [0,2,0,0,0,0|1,0,1]=4 4998 B9R0.8 C=CC(=O)C(C)CCCC 1458a_100000185746_200011215066 [0,2,0,0,0,0|1,0,1]=4 4999 B9R0.8 C=CC(=O)N(C)CCCC 1626a_100000207549_100000185746 [0,2,0,0,0,0|1,0,1]=4 5000 B9R0.8 C=CC(=O)N(C)CCCC 240690a_100000207549_200121576911 [0,2,0,0,0,0|1,0,1]=4 5001 B9R0.8 C=CC(C)C(=O)CCCC 1458a_100011216780_100000210211 [0,2,0,0,0,0|1,0,0]=3 5002 B9R0.8 C=CC(C)C(=O)CCCF 1458a_100011216780_100011934791 [0,2,0,0,0,0|2,0,0]=4 5003 B9R0.8 C=CC(C)C(=O)CCCO 1458a_100011216780_100011215043 [0,2,0,0,0,0|2,0,0]=4 5004 B9R0.8 C=CC(C)C(=O)CCOC 1458a_100011216780_100000233755 [0,2,0,0,0,0|2,0,0]=4 5005 B9R0.8 C=CC(C)C(=O)CCSC 1458a_100011216780_100000751147 [0,2,0,0,0,0|2,0,0]=4 5006 B9R0.8 C=CC(C)C(=O)NCCC 11a_100020643023_100011216780 [0,2,0,0,0,0|2,0,0]=4 5007 B9R0.8 C=CC(C)C(=O)NCCC 1626a_100020643023_100011216780 [0,2,0,0,0,0|2,0,0]=4 5008 B9R0.8 C=CC(C)C(=O)NCCC 240690a_100020643023_100011216780 [0,2,0,0,0,0|2,0,0]=4 5009 B9R0.8 C=CC(C)C(=O)NCCC 527a_100020643023_100011216780 [0,2,0,0,0,0|2,0,0]=4 5010 B9R0.8 C=CCCC(=O)C(C)OC 1458a_100000743197_100000754431 [0,2,0,0,0,0|0,0,2]=4 5011 B9R0.8 C=CCNC(C)C(=O)OC 2230a_100020586998_100000211248 [0,2,0,0,0,0|0,0,2]=4 5012 B9R0.8 C=CCOC(C)C(=O)OC 34a_100011215400_100015514636 [0,2,0,0,0,0|0,0,2]=4 5013 B9R0.8 C=CCOC(C)C(=O)OC 34a_200000210373_100000211248 [0,2,0,0,0,0|0,0,2]=4 5014 B9R0.8 C=CCSC(C)C(=O)OC 62a_100000210623_100000211248 [0,2,0,0,0,0|0,0,2]=4 5015 B9R0.8 C=CCSC(C)C(=O)OC 62a_100000211248_100000210623 [0,2,0,0,0,0|0,0,2]=4 5016 B9R0.8 CC#CCC(=O)C(C)OC 1458a_100000743197_100000748600 [0,2,0,0,0,0|0,0,2]=4 5017 B9R0.8 CC(C#N)C(=O)CCCF 1458a_100000753662_100011934791 [0,2,0,0,0,0|2,0,0]=4 5018 B9R0.8 CC(C#N)C(=O)CCCO 1458a_100000753662_100011215043 [0,2,0,0,0,0|2,0,0]=4 5019 B9R0.8 CC=CCC(=O)C(C)OC 1458a_100000743197_100000070051 [0,2,0,0,0,0|0,0,2]=4 5020 B9R0.8 CCC(=O)C(C)NCCO 2230a_100016997473_100000742827 [0,2,0,0,0,0|2,0,0]=4 5021 B9R0.8 CCC(=O)C(C)SCCF 62a_100000742827_100011217306 [0,2,0,0,0,0|2,0,0]=4 5022 B9R0.8 CCC(=O)C(C)SCCF 62a_100011217306_100000742827 [0,2,0,0,0,0|2,0,0]=4 5023 B9R0.8 CCC(=O)C(C)SCCO 62a_100000211926_100000742827 [0,2,0,0,0,0|2,0,0]=4 5024 B9R0.8 CCC(=O)C(C)SCCO 62a_100000742827_100000211926 [0,2,0,0,0,0|2,0,0]=4 5025 B9R0.8 CCC(=O)C(C)SCOC 62a_100000742827_100000766300 [0,2,0,0,0,0|2,0,0]=4 5026 B9R0.8 CCC(=O)C(C)SCOC 62a_100000766300_100000742827 [0,2,0,0,0,0|2,0,0]=4 5027 B9R0.8 CCC(=O)C(C)SCSC 62a_100000742827_100011218213 [0,2,0,0,0,0|2,0,0]=4 5028 B9R0.8 CCC(=O)C(C)SCSC 62a_100011218213_100000742827 [0,2,0,0,0,0|2,0,0]=4 5029 B9R0.8 CCC(=O)C(O)CCSC 1458a_100000685904_100000210202 [0,2,0,0,0,0|1,0,0]=3 5030 B9R0.8 CCC(=O)N(C)CCCO 240690a_100000213112_100000210414 [0,2,0,0,0,0|2,0,0]=4 5031 B9R0.8 CCC(=O)N(C)CCCO 527a_100000213112_100000210414 [0,2,0,0,0,0|2,0,0]=4 5032 B9R0.8 CCC(=O)N(C)CCOC 11a_100000743101_100000210414 [0,2,0,0,0,0|2,0,0]=4 5033 B9R0.8 CCC(=O)N(C)CCOC 1626a_100000743101_100000210414 [0,2,0,0,0,0|2,0,0]=4 5034 B9R0.8 CCC(=O)N(C)CCOC 240690a_100000743101_100000210414 [0,2,0,0,0,0|2,0,0]=4 5035 B9R0.8 CCC(=O)N(C)CCOC 527a_100000743101_100000210414 [0,2,0,0,0,0|2,0,0]=4 5036 B9R0.8 CCC(=O)N(C)CCSC 11a_100000686725_100000210414 [0,2,0,0,0,0|2,0,0]=4 5037 B9R0.8 CCC(=O)N(C)CCSC 1626a_100000686725_100000210414 [0,2,0,0,0,0|2,0,0]=4 5038 B9R0.8 CCC(=O)N(C)CCSC 240690a_100000686725_100000210414 [0,2,0,0,0,0|2,0,0]=4 5039 B9R0.8 CCC(=O)N(C)CCSC 527a_100000686725_100000210414 [0,2,0,0,0,0|2,0,0]=4 5040 B9R0.8 CCC(C)C(=O)CCCF 1458a_100011192722_100011934791 [0,2,0,0,0,0|2,0,0]=4 5041 B9R0.8 CCC(C)C(=O)CCCO 1458a_100011192722_100011215043 [0,2,0,0,0,0|2,0,0]=4 5042 B9R0.8 CCC(C)C(=O)CCOC 1458a_100000749529_100000758301 [0,2,0,0,0,0|2,0,0]=4 5043 B9R0.8 CCC(C)C(=O)CCOC 1458a_100011192722_100000233755 [0,2,0,0,0,0|2,0,0]=4 5044 B9R0.8 CCC(C)C(=O)CCSC 1458a_100000174002_100000758301 [0,2,0,0,0,0|2,0,0]=4 5045 B9R0.8 CCC(C)C(=O)CCSC 1458a_100011192722_100000751147 [0,2,0,0,0,0|2,0,0]=4 5046 B9R0.8 CCC(O)C(=O)CCCF 1458a_100011196387_100011934791 [0,2,0,0,0,0|2,0,0]=4 5047 B9R0.8 CCC(O)C(=O)CCCO 1458a_100011196387_100011215043 [0,2,0,0,0,0|2,0,0]=4 5048 B9R0.8 CCC(O)C(=O)CCOC 1458a_100011196387_100000233755 [0,2,0,0,0,0|2,0,0]=4 5049 B9R0.8 CCC(O)C(=O)CCSC 1458a_100011196387_100000751147 [0,2,0,0,0,0|2,0,0]=4 5050 B9R0.8 CCC/C=C(\C)/C(=O)CC 1458a_200020648666_100000210202 [0,2,0,0,0,0|1,0,1]=4 5051 B9R0.8 CCC/C=C(\C)/C(=O)NC 11a_106832991635_200020648666 [0,2,0,0,0,0|1,0,1]=4 5052 B9R0.8 CCC/C=C(\C)/C(=O)NC 1626a_100102657272_200020648666 [0,2,0,0,0,0|1,0,1]=4 5053 B9R0.8 CCC/C=C(\C)/C(=O)NC 240690a_100102657272_200020648666 [0,2,0,0,0,0|1,0,1]=4 5054 B9R0.8 CCCCC(=O)C(=O)NC 1458a_100011218921_100000210211 [0,2,0,0,0,0|1,0,0]=3 5055 B9R0.8 CCCCC(=O)C(C)C#N 1458a_100000210183_100000703298 [0,2,0,0,0,0|1,0,0]=3 5056 B9R0.8 CCCCC(=O)C(C)C#N 1458a_100000753662_100000210211 [0,2,0,0,0,0|1,0,0]=3 5057 B9R0.8 CCCCC(=O)C(C)CC 1458a_100000210183_100000758301 [0,2,0,0,0,0|1,0,0]=3 5058 B9R0.8 CCCCC(=O)C(C)CC 1458a_100011192722_100000210211 [0,2,0,0,0,0|1,0,0]=3 5059 B9R0.8 CCCCC(=O)C(C)OC 1458a_100000743197_100000210211 [0,2,0,0,0,0|0,0,0]=2 5060 B9R0.8 CCCCC(=O)C(C)SC 1458a_100000149566_100000210211 [0,2,0,0,0,0|0,1,0]=3 5061 B9R0.8 CCCCC(=O)C(O)CC 1458a_100011196387_100000210211 [0,2,0,0,0,0|1,0,0]=3 5062 B9R0.8 CCCCC(=O)C(O)CO 1458a_100011215603_100000210211 [0,2,0,0,0,0|1,0,0]=3 5063 B9R0.8 CCCCC(=O)N(C)CC 11a_100000225621_100000210183 [0,2,0,0,0,0|1,0,0]=3 5064 B9R0.8 CCCCC(=O)N(C)CC 1626a_100000225621_100000210183 [0,2,0,0,0,0|1,0,0]=3 5065 B9R0.8 CCCCC(=O)N(C)CC 240690a_100000225621_100000210183 [0,2,0,0,0,0|1,0,0]=3 5066 B9R0.8 CCCCC(=O)N(C)CC 527a_100000225621_100000210183 [0,2,0,0,0,0|1,0,0]=3 5067 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000210414_200011215066 [0,2,0,0,0,0|1,0,0]=3 5068 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000725509_100000210202 [0,2,0,0,0,0|1,0,0]=3 5069 B9R0.8 CCCCC(C)C(=O)CF 1458a_100000725509_100015361967 [0,2,0,0,0,0|2,0,0]=4 5070 B9R0.8 CCCCC(C)C(=O)CO 1458a_100000210174_200011215066 [0,2,0,0,0,0|2,0,0]=4 5071 B9R0.8 CCCCC(C)C(=O)NC 11a_106832991635_100000725509 [0,2,0,0,0,0|1,0,0]=3 5072 B9R0.8 CCCCC(C)C(=O)NC 1626a_100102657272_100000725509 [0,2,0,0,0,0|1,0,0]=3 5073 B9R0.8 CCCCC(C)C(=O)NC 240690a_100102657272_100000725509 [0,2,0,0,0,0|1,0,0]=3 5074 B9R0.8 CCCCC(C)C(=O)NC 527a_100102657272_100000725509 [0,2,0,0,0,0|1,0,0]=3 5075 B9R0.8 CCCCC(O)C(=O)CC 1458a_100000720857_100000210202 [0,2,0,0,0,0|1,0,0]=3 5076 B9R0.8 CCCCC(O)C(=O)CF 1458a_100000720857_100015361967 [0,2,0,0,0,0|2,0,0]=4 5077 B9R0.8 CCCCC(O)C(=O)NC 240690a_100102657272_100000720857 [0,2,0,0,0,0|1,0,0]=3 5078 B9R0.8 CCCCC(O)C(=O)NC 527a_100102657272_100000720857 [0,2,0,0,0,0|1,0,0]=3 5079 B9R0.8 CCCCN(C)C(=O)CC 11a_100000207549_100000210414 [0,2,0,0,0,0|1,0,0]=3 5080 B9R0.8 CCCCN(C)C(=O)CC 1626a_100000207549_100000210414 [0,2,0,0,0,0|1,0,0]=3 5081 B9R0.8 CCCCN(C)C(=O)CC 240690a_100000207549_100000210414 [0,2,0,0,0,0|1,0,0]=3 5082 B9R0.8 CCCCN(C)C(=O)CC 527a_100000207549_100000210414 [0,2,0,0,0,0|1,0,0]=3 5083 B9R0.8 CCCCN(C)C(=O)CO 240690a_100000207549_100000210174 [0,2,0,0,0,0|2,0,0]=4 5084 B9R0.8 CCCCN(C)C(=O)CO 527a_100000207549_100000210174 [0,2,0,0,0,0|2,0,0]=4 5085 B9R0.8 CCCCN(C)C(=O)NC 2708a_100102657272_100000207549 [0,2,0,0,0,0|1,0,0]=3 5086 B9R0.8 CCCCN(C)C(=O)NC 273464a_100102657272_100000207549 [0,2,0,0,0,0|1,0,0]=3 5087 B9R0.8 CCCCN(C)C(C)OC 269982a_100000207549_100009879195 [0,2,0,0,0,0|1,0,1]=4 5088 B9R0.8 CCCNC(=O)C(=O)CC 1458a_200011297150_100000210202 [0,2,0,0,0,0|1,0,1]=4 5089 B9R0.8 CCCNC(=O)C(=O)CF 1458a_200011297150_100015361967 [0,2,0,0,0,0|2,0,0]=4 5090 B9R0.8 CCCNC(=O)C(=O)NC 1626a_100020643023_100011218921 [0,2,0,0,0,0|1,0,1]=4 5091 B9R0.8 CCCNC(=O)C(=O)NC 1626a_100102657272_200011297150 [0,2,0,0,0,0|1,0,1]=4 5092 B9R0.8 CCCNC(=O)C(=O)NC 240690a_100020643023_100011218921 [0,2,0,0,0,0|1,0,1]=4 5093 B9R0.8 CCCNC(=O)C(=O)NC 240690a_100102657272_200011297150 [0,2,0,0,0,0|1,0,1]=4 5094 B9R0.8 CCCNC(=O)C(=O)NC 527a_100020643023_100011218921 [0,2,0,0,0,0|1,0,1]=4 5095 B9R0.8 CCCNC(=O)C(=O)NC 527a_100102657272_200011297150 [0,2,0,0,0,0|1,0,1]=4 5096 B9R0.8 CCCNC(=O)C(=O)OC 11a_100020643023_100000024059 [0,2,0,0,0,0|0,0,1]=3 5097 B9R0.8 CCCNC(=O)C(=O)OC 1626a_100020643023_100000024059 [0,2,0,0,0,0|0,0,1]=3 5098 B9R0.8 CCCNC(=O)C(=O)OC 240690a_100020643023_100000024059 [0,2,0,0,0,0|0,0,1]=3 5099 B9R0.8 CCCNC(=O)C(=O)OC 527a_100020643023_100000024059 [0,2,0,0,0,0|0,0,1]=3 5100 B9R0.8 CCCNC(=O)C(C)C#N 11a_100020643023_100000753662 [0,2,0,0,0,0|2,0,0]=4 5101 B9R0.8 CCCNC(=O)C(C)C#N 1626a_100020643023_100000753662 [0,2,0,0,0,0|2,0,0]=4 5102 B9R0.8 CCCNC(=O)C(C)C#N 240690a_100020643023_100000753662 [0,2,0,0,0,0|2,0,0]=4 5103 B9R0.8 CCCNC(=O)C(C)C#N 527a_100020643023_100000753662 [0,2,0,0,0,0|2,0,0]=4 5104 B9R0.8 CCCNC(=O)C(C)CC 11a_100020643023_100011192722 [0,2,0,0,0,0|2,0,0]=4 5105 B9R0.8 CCCNC(=O)C(C)CC 1626a_100020643023_100011192722 [0,2,0,0,0,0|2,0,0]=4 5106 B9R0.8 CCCNC(=O)C(C)CC 240690a_100020643023_100011192722 [0,2,0,0,0,0|2,0,0]=4 5107 B9R0.8 CCCNC(=O)C(C)CC 527a_100020643023_100011192722 [0,2,0,0,0,0|2,0,0]=4 5108 B9R0.8 CCCNC(=O)C(C)NC 2230a_100025744714_200000210301 [0,2,0,0,0,0|2,0,0]=4 5109 B9R0.8 CCCNC(=O)C(C)NC 2230a_106832991635_100000230305 [0,2,0,0,0,0|2,0,0]=4 5110 B9R0.8 CCCNC(=O)C(C)NC 34a_100025744714_200000210301 [0,2,0,0,0,0|2,0,0]=4 5111 B9R0.8 CCCNC(=O)C(C)NC 34a_100102657272_100000230305 [0,2,0,0,0,0|2,0,0]=4 5112 B9R0.8 CCCNC(=O)C(C)NC 7a_106832991635_100000230305 [0,2,0,0,0,0|2,0,0]=4 5113 B9R0.8 CCCNC(=O)C(C)N[13CH3] 2230a_100025744714_200025704644 [0,2,0,0,0,0|2,0,0]=4 5114 B9R0.8 CCCNC(=O)C(C)N[13CH3] 34a_100025744714_200025704644 [0,2,0,0,0,0|2,0,0]=4 5115 B9R0.8 CCCNC(=O)C(C)OC 11a_100020643023_100000743197 [0,2,0,0,0,0|1,0,0]=3 5116 B9R0.8 CCCNC(=O)C(C)OC 1626a_100020643023_100000743197 [0,2,0,0,0,0|1,0,0]=3 5117 B9R0.8 CCCNC(=O)C(C)OC 240690a_100020643023_100000743197 [0,2,0,0,0,0|1,0,0]=3 5118 B9R0.8 CCCNC(=O)C(C)OC 34a_100138415774_100000230305 [0,2,0,0,0,0|1,0,0]=3 5119 B9R0.8 CCCNC(=O)C(C)OC 527a_100020643023_100000743197 [0,2,0,0,0,0|1,0,0]=3 5120 B9R0.8 CCCNC(=O)C(C)SC 11a_100020643023_100000149566 [0,2,0,0,0,0|1,1,0]=4 5121 B9R0.8 CCCNC(=O)C(C)SC 1626a_100020643023_100000149566 [0,2,0,0,0,0|1,1,0]=4 5122 B9R0.8 CCCNC(=O)C(C)SC 240690a_100020643023_100000149566 [0,2,0,0,0,0|1,1,0]=4 5123 B9R0.8 CCCNC(=O)C(C)SC 527a_100020643023_100000149566 [0,2,0,0,0,0|1,1,0]=4 5124 B9R0.8 CCCNC(=O)C(C)SC 62a_100000230305_200000210301 [0,2,0,0,0,0|1,1,0]=4 5125 B9R0.8 CCCNC(=O)C(C)SC 62a_200000210301_100000230305 [0,2,0,0,0,0|1,1,0]=4 5126 B9R0.8 CCCNC(=O)C(C)S[13CH3] 62a_100000230305_200025704644 [0,2,0,0,0,0|1,1,0]=4 5127 B9R0.8 CCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230305 [0,2,0,0,0,0|1,1,0]=4 5128 B9R0.8 CCCNC(=O)C(O)CC 240690a_100020643023_100011196387 [0,2,0,0,0,0|2,0,0]=4 5129 B9R0.8 CCCNC(=O)C(O)CO 240690a_100020643023_100011215603 [0,2,0,0,0,0|2,0,0]=4 5130 B9R0.8 CCCNC(=O)N(C)CC 2708a_100020643023_100000225621 [0,2,0,0,0,0|2,0,0]=4 5131 B9R0.8 CCCNC(=O)N(C)CC 273464a_100020643023_100000225621 [0,2,0,0,0,0|2,0,0]=4 5132 B9R0.8 CCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210303 [0,2,0,0,0,0|1,0,0]=3 5133 B9R0.8 CCCN[C@H](C)C(=O)NC 34a_100000684985_100000210303 [0,2,0,0,0,0|1,0,0]=3 5134 B9R0.8 CCCOC(=O)C(C)NC 2230a_106832991635_100000760410 [0,2,0,0,0,0|2,0,0]=4 5135 B9R0.8 CCCOC(=O)C(C)NC 34a_100102657272_100000760410 [0,2,0,0,0,0|2,0,0]=4 5136 B9R0.8 CCCOC(=O)C(C)NC 7a_106832991635_100000760410 [0,2,0,0,0,0|2,0,0]=4 5137 B9R0.8 CCCOC(=O)C(C)OC 34a_100000037348_200000210301 [0,2,0,0,0,0|1,0,0]=3 5138 B9R0.8 CCCOC(=O)C(C)OC 34a_100138415774_100000760410 [0,2,0,0,0,0|1,0,0]=3 5139 B9R0.8 CCCOC(=O)C(C)OC 7a_100000037348_200000210301 [0,2,0,0,0,0|1,0,0]=3 5140 B9R0.8 CCCOC(=O)C(C)O[13CH3] 34a_100000037348_200025704644 [0,2,0,0,0,0|1,0,0]=3 5141 B9R0.8 CCCOC(=O)C(C)O[13CH3] 7a_100000037348_200025704644 [0,2,0,0,0,0|1,0,0]=3 5142 B9R0.8 CCCOC(=O)C(C)SC 62a_100000760410_200000210301 [0,2,0,0,0,0|1,1,0]=4 5143 B9R0.8 CCCOC(=O)C(C)SC 62a_200000210301_100000760410 [0,2,0,0,0,0|1,1,0]=4 5144 B9R0.8 CCCOC(=O)C(C)S[13CH3] 62a_100000760410_200025704644 [0,2,0,0,0,0|1,1,0]=4 5145 B9R0.8 CCCOC(=O)C(C)S[13CH3] 62a_200025704644_100000760410 [0,2,0,0,0,0|1,1,0]=4 5146 B9R0.8 CCCOC(C)C(=O)NC 34a_100000210258_100000731044 [0,2,0,0,0,0|1,0,0]=3 5147 B9R0.8 CCCOC(C)C(=O)NN 34a_100000725659_100000210303 [0,2,0,0,0,0|2,0,0]=4 5148 B9R0.8 CCCOC(C)C(=O)OC 34a_100000210258_100000211248 [0,2,0,0,0,0|0,0,0]=2 5149 B9R0.8 CCCOC(C)C(=O)OC 34a_100011215400_100000210303 [0,2,0,0,0,0|0,0,0]=2 5150 B9R0.8 CCCOC(F)C(=O)NC 34a_100000210258_100009813575 [0,2,0,0,0,0|1,0,0]=3 5151 B9R0.8 CCCSC(C)C(=O)CC 62a_100000210303_100000742827 [0,2,0,0,0,0|1,0,0]=3 5152 B9R0.8 CCCSC(C)C(=O)CC 62a_100000742827_100000210303 [0,2,0,0,0,0|1,0,0]=3 5153 B9R0.8 CCCSC(C)C(=O)NC 62a_100000209862_100000210303 [0,2,0,0,0,0|1,0,0]=3 5154 B9R0.8 CCCSC(C)C(=O)NC 62a_100000210303_100000731044 [0,2,0,0,0,0|1,0,0]=3 5155 B9R0.8 CCCSC(C)C(=O)OC 62a_100000210303_100000211248 [0,2,0,0,0,0|0,0,0]=2 5156 B9R0.8 CCCSC(C)C(=O)OC 62a_100000211248_100000210303 [0,2,0,0,0,0|0,0,0]=2 5157 B9R0.8 CCCSC(F)C(=O)NC 62a_100000210303_100009813575 [0,2,0,0,0,0|1,0,0]=3 5158 B9R0.8 CCCSC(F)C(=O)NC 62a_100009813575_100000210303 [0,2,0,0,0,0|1,0,0]=3 5159 B9R0.8 CCN(C)C(=O)CCOC 11a_100000225621_100000749529 [0,2,0,0,0,0|2,0,0]=4 5160 B9R0.8 CCN(C)C(=O)CCOC 1626a_100000225621_100000749529 [0,2,0,0,0,0|2,0,0]=4 5161 B9R0.8 CCN(C)C(=O)CCOC 240690a_100000225621_100000749529 [0,2,0,0,0,0|2,0,0]=4 5162 B9R0.8 CCN(C)C(=O)CCOC 527a_100000225621_100000749529 [0,2,0,0,0,0|2,0,0]=4 5163 B9R0.8 CCN(C)C(=O)CCSC 11a_100000225621_100000174002 [0,2,0,0,0,0|2,0,0]=4 5164 B9R0.8 CCN(C)C(=O)CCSC 1626a_100000225621_100000174002 [0,2,0,0,0,0|2,0,0]=4 5165 B9R0.8 CCN(C)C(=O)CCSC 240690a_100000225621_100000174002 [0,2,0,0,0,0|2,0,0]=4 5166 B9R0.8 CCN(C)C(=O)CCSC 527a_100000225621_100000174002 [0,2,0,0,0,0|2,0,0]=4 5167 B9R0.8 CCNCC(=O)N(C)CC 2230a_100015525214_100000738999 [0,2,0,0,0,0|2,0,0]=4 5168 B9R0.8 CCNCC(=O)N(C)OC 2230a_100015207273_100000210202 [0,2,0,0,0,0|1,0,0]=3 5169 B9R0.8 CCNCC(=O)N(C)OC 2230a_100015525214_100000764215 [0,2,0,0,0,0|1,0,0]=3 5170 B9R0.8 CCNCC(C)C(=O)NC 2230a_100015187722_100000210202 [0,2,0,0,0,0|1,0,0]=3 5171 B9R0.8 CCNCC(C)C(=O)NC 34a_100015187722_100000210202 [0,2,0,0,0,0|1,0,0]=3 5172 B9R0.8 CCNN=C(C)C(=O)OC 4a_100000756455_100000211753 [0,2,0,0,0,0|1,0,1]=4 5173 B9R0.8 CCNNC(=O)C(C)OC 22a_100000756455_100000743197 [0,2,0,0,0,0|2,0,0]=4 5174 B9R0.8 CCOCC(=O)C(=O)OC 34a_100121572206_100011610305 [0,2,0,0,0,0|0,0,1]=3 5175 B9R0.8 CCOCC(=O)C(C)C#N 1458a_100000211967_100000703298 [0,2,0,0,0,0|2,0,0]=4 5176 B9R0.8 CCOCC(=O)C(C)CC 1458a_100000211967_100000758301 [0,2,0,0,0,0|2,0,0]=4 5177 B9R0.8 CCOCC(=O)N(C)CC 11a_100000225621_100000211967 [0,2,0,0,0,0|2,0,0]=4 5178 B9R0.8 CCOCC(=O)N(C)CC 1626a_100000225621_100000211967 [0,2,0,0,0,0|2,0,0]=4 5179 B9R0.8 CCOCC(=O)N(C)CC 240690a_100000225621_100000211967 [0,2,0,0,0,0|2,0,0]=4 5180 B9R0.8 CCOCC(=O)N(C)CC 34a_100121572206_100000738999 [0,2,0,0,0,0|2,0,0]=4 5181 B9R0.8 CCOCC(=O)N(C)CC 527a_100000225621_100000211967 [0,2,0,0,0,0|2,0,0]=4 5182 B9R0.8 CCOCC(C)C(=O)OC 34a_100000749362_100000210202 [0,2,0,0,0,0|0,0,0]=2 5183 B9R0.8 CCOCC(C)C(=O)OC 34a_100121572206_100000698445 [0,2,0,0,0,0|0,0,0]=2 5184 B9R0.8 CCOCC(C)C(=O)OC 7a_100000749362_100000210202 [0,2,0,0,0,0|0,0,0]=2 5185 B9R0.8 CCOCC(F)C(=O)OC 34a_200009849844_100000210202 [0,2,0,0,0,0|0,0,0]=2 5186 B9R0.8 CCOCC(N)C(=O)NN 34a_100016989258_100000210202 [0,2,0,0,0,0|2,0,0]=4 5187 B9R0.8 CCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210202 [0,2,0,0,0,0|0,0,0]=2 5188 B9R0.8 CCSCC(=O)C(=O)OC 62a_100000210202_100011610305 [0,2,0,0,0,0|0,0,1]=3 5189 B9R0.8 CCSCC(=O)C(=O)OC 62a_100011610305_100000210202 [0,2,0,0,0,0|0,0,1]=3 5190 B9R0.8 CCSCC(=O)C(C)C#N 1458a_100000230394_100000703298 [0,2,0,0,0,0|2,0,0]=4 5191 B9R0.8 CCSCC(=O)C(C)CC 1458a_100000230394_100000758301 [0,2,0,0,0,0|2,0,0]=4 5192 B9R0.8 CCSCC(=O)N(C)CC 11a_100000225621_100000230394 [0,2,0,0,0,0|2,0,0]=4 5193 B9R0.8 CCSCC(=O)N(C)CC 1626a_100000225621_100000230394 [0,2,0,0,0,0|2,0,0]=4 5194 B9R0.8 CCSCC(=O)N(C)CC 240690a_100000225621_100000230394 [0,2,0,0,0,0|2,0,0]=4 5195 B9R0.8 CCSCC(=O)N(C)CC 527a_100000225621_100000230394 [0,2,0,0,0,0|2,0,0]=4 5196 B9R0.8 CCSCC(=O)N(C)CC 62a_100000210202_100000738999 [0,2,0,0,0,0|2,0,0]=4 5197 B9R0.8 CCSCC(=O)N(C)CC 62a_100000738999_100000210202 [0,2,0,0,0,0|2,0,0]=4 5198 B9R0.8 CCSCC(=O)N(C)OC 62a_100000210202_100000764215 [0,2,0,0,0,0|1,0,0]=3 5199 B9R0.8 CCSCC(=O)N(C)OC 62a_100000764215_100000210202 [0,2,0,0,0,0|1,0,0]=3 5200 B9R0.8 CCSCC(C)C(=O)OC 62a_100000210202_100000698445 [0,2,0,0,0,0|0,0,0]=2 5201 B9R0.8 CCSCC(C)C(=O)OC 62a_100000698445_100000210202 [0,2,0,0,0,0|0,0,0]=2 5202 B9R0.8 CNC(=O)C(=O)CCCF 1458a_100011218921_100011934791 [0,2,0,0,0,0|1,0,1]=4 5203 B9R0.8 CNC(=O)C(=O)CCCO 1458a_100011218921_100011215043 [0,2,0,0,0,0|1,0,1]=4 5204 B9R0.8 CNC(=O)C(=O)CCOC 1458a_100011218921_100000233755 [0,2,0,0,0,0|1,0,1]=4 5205 B9R0.8 CNC(=O)C(=O)CCSC 1458a_100011218921_100000751147 [0,2,0,0,0,0|1,0,1]=4 5206 B9R0.8 CNC(=O)C(C)CNCF 34a_100015187722_100015361967 [0,2,0,0,0,0|2,0,0]=4 5207 B9R0.8 CNC(=O)C(C)NCCF 34a_100000724931_100000731044 [0,2,0,0,0,0|2,0,0]=4 5208 B9R0.8 CNC(=O)C(C)NCCO 2230a_100016997473_100000731044 [0,2,0,0,0,0|2,0,0]=4 5209 B9R0.8 CNC(=O)C(C)NCCO 34a_100016990907_100000731044 [0,2,0,0,0,0|2,0,0]=4 5210 B9R0.8 CNC(=O)C(C)OCCBr 34a_100000211926_100000731044 [0,2,0,0,0,0|2,0,0]=4 5211 B9R0.8 CNC(=O)C(C)OCCN 34a_100000210304_100000731044 [0,2,0,0,0,0|2,0,0]=4 5212 B9R0.8 CNC(=O)C(C)SCCF 62a_100000209862_100011217306 [0,2,0,0,0,0|2,0,0]=4 5213 B9R0.8 CNC(=O)C(C)SCCF 62a_100011217306_100000731044 [0,2,0,0,0,0|2,0,0]=4 5214 B9R0.8 CNC(=O)C(C)SCCO 62a_100000209862_100000211926 [0,2,0,0,0,0|2,0,0]=4 5215 B9R0.8 CNC(=O)C(C)SCCO 62a_100000211926_100000731044 [0,2,0,0,0,0|2,0,0]=4 5216 B9R0.8 CNC(=O)C(C)SCOC 62a_100000209862_100000766300 [0,2,0,0,0,0|2,0,0]=4 5217 B9R0.8 CNC(=O)C(C)SCOC 62a_100000766300_100000731044 [0,2,0,0,0,0|2,0,0]=4 5218 B9R0.8 CNC(=O)C(C)SCSC 62a_100000209862_100011218213 [0,2,0,0,0,0|2,0,0]=4 5219 B9R0.8 CNC(=O)C(C)SCSC 62a_100011218213_100000731044 [0,2,0,0,0,0|2,0,0]=4 5220 B9R0.8 CNC(=O)C(F)NCCF 34a_100000724931_100009813575 [0,2,0,0,0,0|2,0,0]=4 5221 B9R0.8 CNC(=O)C(F)NCCO 2230a_100016997473_100009813575 [0,2,0,0,0,0|2,0,0]=4 5222 B9R0.8 CNC(=O)C(F)NCCO 34a_100016990907_100009813575 [0,2,0,0,0,0|2,0,0]=4 5223 B9R0.8 CNC(=O)C(F)OCCBr 34a_100000211926_100009813575 [0,2,0,0,0,0|2,0,0]=4 5224 B9R0.8 CNC(=O)C(F)OCCN 34a_100000210304_100009813575 [0,2,0,0,0,0|2,0,0]=4 5225 B9R0.8 CNC(=O)C(F)SCCF 62a_100009813575_100011217306 [0,2,0,0,0,0|2,0,0]=4 5226 B9R0.8 CNC(=O)C(F)SCCF 62a_100011217306_100009813575 [0,2,0,0,0,0|2,0,0]=4 5227 B9R0.8 CNC(=O)C(F)SCCO 62a_100000211926_100009813575 [0,2,0,0,0,0|2,0,0]=4 5228 B9R0.8 CNC(=O)C(F)SCCO 62a_100009813575_100000211926 [0,2,0,0,0,0|2,0,0]=4 5229 B9R0.8 CNC(=O)C(F)SCOC 62a_100000766300_100009813575 [0,2,0,0,0,0|2,0,0]=4 5230 B9R0.8 CNC(=O)C(F)SCOC 62a_100009813575_100000766300 [0,2,0,0,0,0|2,0,0]=4 5231 B9R0.8 CNC(=O)C(F)SCSC 62a_100009813575_100011218213 [0,2,0,0,0,0|2,0,0]=4 5232 B9R0.8 CNC(=O)C(F)SCSC 62a_100011218213_100009813575 [0,2,0,0,0,0|2,0,0]=4 5233 B9R0.8 CNC(=O)C(O)CCSC 240690a_100102657272_100000685904 [0,2,0,0,0,0|1,0,0]=3 5234 B9R0.8 CNC(=O)N(C)CCCO 2708a_100102657272_100000213112 [0,2,0,0,0,0|2,0,0]=4 5235 B9R0.8 CNC(=O)N(C)CCCO 273464a_100102657272_100000213112 [0,2,0,0,0,0|2,0,0]=4 5236 B9R0.8 CNC(=O)N(C)CCOC 2708a_100102657272_100000743101 [0,2,0,0,0,0|2,0,0]=4 5237 B9R0.8 CNC(=O)N(C)CCOC 273464a_100102657272_100000743101 [0,2,0,0,0,0|2,0,0]=4 5238 B9R0.8 CNC(=O)N(C)CCSC 2708a_100102657272_100000686725 [0,2,0,0,0,0|2,0,0]=4 5239 B9R0.8 CNC(=O)N(C)CCSC 273464a_100102657272_100000686725 [0,2,0,0,0,0|2,0,0]=4 5240 B9R0.8 CNC(=O)[C@@H](C)NCCF 2230a_100000684985_100011217306 [0,2,0,0,0,0|2,0,0]=4 5241 B9R0.8 CNC(=O)[C@@H](C)NCCF 34a_100000684985_100011217306 [0,2,0,0,0,0|2,0,0]=4 5242 B9R0.8 CNC(=O)[C@@H](C)NCCO 2230a_100000684985_100000211926 [0,2,0,0,0,0|2,0,0]=4 5243 B9R0.8 CNC(=O)[C@@H](C)NCCO 34a_100000684985_100000211926 [0,2,0,0,0,0|2,0,0]=4 5244 B9R0.8 CNC(=O)[C@@H](C)NCOC 2230a_100000684985_100000766300 [0,2,0,0,0,0|2,0,0]=4 5245 B9R0.8 CNC(=O)[C@@H](C)NCSC 2230a_100000684985_100011218213 [0,2,0,0,0,0|2,0,0]=4 5246 B9R0.8 CNC(=O)[C@@H](C)NCSC 34a_100000684985_100011218213 [0,2,0,0,0,0|2,0,0]=4 5247 B9R0.8 CNCCC(C)C(=O)OC 2230a_106832991635_100000034942 [0,2,0,0,0,0|0,0,0]=2 5248 B9R0.8 CNCCC(C)C(=O)OC 34a_100102657272_100000034942 [0,2,0,0,0,0|0,0,0]=2 5249 B9R0.8 CNCCC(C)C(=O)OC 7a_106832991635_100000034942 [0,2,0,0,0,0|0,0,0]=2 5250 B9R0.8 COC(=O)C(=O)CSCF 62a_100011610305_100015361967 [0,2,0,0,0,0|1,0,1]=4 5251 B9R0.8 COC(=O)C(=O)CSCF 62a_100015361967_100011610305 [0,2,0,0,0,0|1,0,1]=4 5252 B9R0.8 COC(=O)C(=O)NCCF 11a_100000724931_100000024059 [0,2,0,0,0,0|1,0,1]=4 5253 B9R0.8 COC(=O)C(=O)NCCF 1626a_100000724931_100000024059 [0,2,0,0,0,0|1,0,1]=4 5254 B9R0.8 COC(=O)C(=O)NCCF 240690a_100000724931_100000024059 [0,2,0,0,0,0|1,0,1]=4 5255 B9R0.8 COC(=O)C(=O)NCCF 527a_100000724931_100000024059 [0,2,0,0,0,0|1,0,1]=4 5256 B9R0.8 COC(=O)C(=O)NCCO 240690a_100000210304_100000024059 [0,2,0,0,0,0|1,0,1]=4 5257 B9R0.8 COC(=O)C(=O)NCCO 527a_100000210304_100000024059 [0,2,0,0,0,0|1,0,1]=4 5258 B9R0.8 COC(=O)C(C)CCSC 62a_100000034942_200000210301 [0,2,0,0,0,0|0,0,0]=2 5259 B9R0.8 COC(=O)C(C)CCSC 62a_200000210301_100000034942 [0,2,0,0,0,0|0,0,0]=2 5260 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_100000034942_200025704644 [0,2,0,0,0,0|0,0,0]=2 5261 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_200025704644_100000034942 [0,2,0,0,0,0|0,0,0]=2 5262 B9R0.8 COC(=O)C(C)COCF 34a_100000749362_100015361967 [0,2,0,0,0,0|1,0,0]=3 5263 B9R0.8 COC(=O)C(C)COCF 7a_100000749362_100015361967 [0,2,0,0,0,0|1,0,0]=3 5264 B9R0.8 COC(=O)C(C)CSCF 62a_100000698445_100015361967 [0,2,0,0,0,0|1,0,0]=3 5265 B9R0.8 COC(=O)C(C)CSCF 62a_100015361967_100000698445 [0,2,0,0,0,0|1,0,0]=3 5266 B9R0.8 COC(=O)C(C)NCCF 34a_100000724931_100000211248 [0,2,0,0,0,0|1,0,0]=3 5267 B9R0.8 COC(=O)C(C)NCCO 2230a_100016997473_100000211248 [0,2,0,0,0,0|1,0,0]=3 5268 B9R0.8 COC(=O)C(C)NCCO 34a_100016990907_100000211248 [0,2,0,0,0,0|1,0,0]=3 5269 B9R0.8 COC(=O)C(C)OCC=O 34a_100011215400_200009817547 [0,2,0,0,0,0|1,0,1]=4 5270 B9R0.8 COC(=O)C(C)OCCBr 34a_100000211926_100000211248 [0,2,0,0,0,0|1,0,0]=3 5271 B9R0.8 COC(=O)C(C)OCCF 34a_100011215400_100011217306 [0,2,0,0,0,0|1,0,0]=3 5272 B9R0.8 COC(=O)C(C)OCCN 34a_100000210304_100000211248 [0,2,0,0,0,0|1,0,0]=3 5273 B9R0.8 COC(=O)C(C)OCCO 34a_100011215400_100000211926 [0,2,0,0,0,0|1,0,0]=3 5274 B9R0.8 COC(=O)C(C)OCSC 34a_100011215400_100011218213 [0,2,0,0,0,0|1,0,0]=3 5275 B9R0.8 COC(=O)C(C)SCC#N 62a_100000211248_100011215382 [0,2,0,0,0,0|1,0,1]=4 5276 B9R0.8 COC(=O)C(C)SCC#N 62a_100011215382_100000211248 [0,2,0,0,0,0|1,0,1]=4 5277 B9R0.8 COC(=O)C(C)SCC=O 62a_100000211248_200015260668 [0,2,0,0,0,0|1,0,1]=4 5278 B9R0.8 COC(=O)C(C)SCC=O 62a_200015260668_100000211248 [0,2,0,0,0,0|1,0,1]=4 5279 B9R0.8 COC(=O)C(C)SCCF 62a_100000211248_100011217306 [0,2,0,0,0,0|1,0,0]=3 5280 B9R0.8 COC(=O)C(C)SCCF 62a_100011217306_100000211248 [0,2,0,0,0,0|1,0,0]=3 5281 B9R0.8 COC(=O)C(C)SCCO 62a_100000211248_100000211926 [0,2,0,0,0,0|1,0,0]=3 5282 B9R0.8 COC(=O)C(C)SCCO 62a_100000211926_100000211248 [0,2,0,0,0,0|1,0,0]=3 5283 B9R0.8 COC(=O)C(C)SCSC 62a_100000211248_100011218213 [0,2,0,0,0,0|1,0,0]=3 5284 B9R0.8 COC(=O)C(C)SCSC 62a_100011218213_100000211248 [0,2,0,0,0,0|1,0,0]=3 5285 B9R0.8 COC(=O)C(F)COCF 34a_200009849844_100015361967 [0,2,0,0,0,0|1,0,0]=3 5286 B9R0.8 COC(=O)[C@H](N)COCF 34a_100000003586_100015361967 [0,2,0,0,0,0|1,0,0]=3 5287 B9R0.8 COC(C)C(=O)CCC#N 1458a_100000743197_100011215226 [0,2,0,0,0,0|1,0,1]=4 5288 B9R0.8 COC(C)C(=O)CCCF 1458a_100000743197_100011934791 [0,2,0,0,0,0|1,0,0]=3 5289 B9R0.8 COC(C)C(=O)CCCO 1458a_100000743197_100011215043 [0,2,0,0,0,0|1,0,0]=3 5290 B9R0.8 COC(C)C(=O)CCSC 1458a_100000743197_100000751147 [0,2,0,0,0,0|1,0,0]=3 5291 B9R0.8 COC(C)C(=O)NCCF 11a_100000724931_100000743197 [0,2,0,0,0,0|2,0,0]=4 5292 B9R0.8 COC(C)C(=O)NCCF 1626a_100000724931_100000743197 [0,2,0,0,0,0|2,0,0]=4 5293 B9R0.8 COC(C)C(=O)NCCF 240690a_100000724931_100000743197 [0,2,0,0,0,0|2,0,0]=4 5294 B9R0.8 COC(C)C(=O)NCCF 527a_100000724931_100000743197 [0,2,0,0,0,0|2,0,0]=4 5295 B9R0.8 COC(C)C(=O)NCCO 240690a_100000210304_100000743197 [0,2,0,0,0,0|2,0,0]=4 5296 B9R0.8 COC(C)C(=O)NCCO 527a_100000210304_100000743197 [0,2,0,0,0,0|2,0,0]=4 5297 B9R0.8 COCCC(=O)C(C)C#N 1458a_100000749529_100000703298 [0,2,0,0,0,0|2,0,0]=4 5298 B9R0.8 COCCC(=O)C(C)C#N 1458a_100000753662_100000233755 [0,2,0,0,0,0|2,0,0]=4 5299 B9R0.8 COCCC(=O)C(C)OC 1458a_100000743197_100000233755 [0,2,0,0,0,0|1,0,0]=3 5300 B9R0.8 COCCC(=O)C(C)SC 1458a_100000149566_100000233755 [0,2,0,0,0,0|1,1,0]=4 5301 B9R0.8 COCCC(=O)C(O)CO 1458a_100011215603_100000233755 [0,2,0,0,0,0|2,0,0]=4 5302 B9R0.8 COCCC(C)C(=O)OC 34a_100138415774_100000034942 [0,2,0,0,0,0|0,0,0]=2 5303 B9R0.8 COCSC(C)C(=O)OC 62a_100000211248_100000766300 [0,2,0,0,0,0|1,0,0]=3 5304 B9R0.8 COCSC(C)C(=O)OC 62a_100000766300_100000211248 [0,2,0,0,0,0|1,0,0]=3 5305 B9R0.8 CON(C)C(=O)CSCF 62a_100000764215_100015361967 [0,2,0,0,0,0|2,0,0]=4 5306 B9R0.8 CON(C)C(=O)CSCF 62a_100015361967_100000764215 [0,2,0,0,0,0|2,0,0]=4 5307 B9R0.8 CSC(C)C(=O)CCCF 1458a_100000149566_100011934791 [0,2,0,0,0,0|1,1,0]=4 5308 B9R0.8 CSC(C)C(=O)CCCO 1458a_100000149566_100011215043 [0,2,0,0,0,0|1,1,0]=4 5309 B9R0.8 CSCCC(=O)C(C)C#N 1458a_100000174002_100000703298 [0,2,0,0,0,0|2,0,0]=4 5310 B9R0.8 CSCCC(=O)C(C)C#N 1458a_100000753662_100000751147 [0,2,0,0,0,0|2,0,0]=4 5311 B9R0.8 CSCCC(=O)C(C)SC 1458a_100000149566_100000751147 [0,2,0,0,0,0|1,1,0]=4 5312 B9R0.8 CSCCC(=O)C(O)CO 1458a_100011215603_100000751147 [0,2,0,0,0,0|2,0,0]=4 5313 B9R0.8 CSCCC(O)C(=O)CF 1458a_100000685904_100015361967 [0,2,0,0,0,0|2,0,0]=4 5314 B9R0.8 O=C(CCCF)C(O)CO 1458a_100011215603_100011934791 [0,2,0,0,0,0|2,0,0]=4 5315 B9R0.8 O=C(CCCO)C(O)CO 1458a_100011215603_100011215043 [0,2,0,0,0,0|2,0,0]=4 5316 B9R0.18 C#CCCC(=O)C=COC 1458a_100016268678_100000753159 [0,2,0,0,0,0|0,0,2]=4 5317 B9R0.18 C#CCCC(=O)CCCC 1458a_100000210183_100000753159 [0,2,0,0,0,0|1,0,0]=3 5318 B9R0.18 C#CCCC(=O)CCCC 1458a_100000692101_100000210211 [0,2,0,0,0,0|1,0,0]=3 5319 B9R0.18 C#CCCC(=O)CCCF 1458a_100000692101_100011934791 [0,2,0,0,0,0|2,0,0]=4 5320 B9R0.18 C#CCCC(=O)CCCO 1458a_100000692101_100011215043 [0,2,0,0,0,0|2,0,0]=4 5321 B9R0.18 C#CCCC(=O)CCOC 1458a_100000692101_100000233755 [0,2,0,0,0,0|0,0,2]=4 5322 B9R0.18 C#CCCC(=O)CCOC 1458a_100000749529_100000753159 [0,2,0,0,0,0|0,0,2]=4 5323 B9R0.18 C#CCCC(=O)CCOC 34a_100011064465_200000210301 [0,2,0,0,0,0|0,0,2]=4 5324 B9R0.18 C#CCCC(=O)CCOC 7a_100011064465_200000210301 [0,2,0,0,0,0|0,0,2]=4 5325 B9R0.18 C#CCCC(=O)CCO[13CH3] 34a_100011064465_200025704644 [0,2,0,0,0,0|0,0,2]=4 5326 B9R0.18 C#CCCC(=O)CCO[13CH3] 7a_100011064465_200025704644 [0,2,0,0,0,0|0,0,2]=4 5327 B9R0.18 C#CCCC(=O)CCSC 1458a_100000174002_100000753159 [0,2,0,0,0,0|2,0,0]=4 5328 B9R0.18 C#CCCC(=O)CCSC 1458a_100000692101_100000751147 [0,2,0,0,0,0|2,0,0]=4 5329 B9R0.18 C#CCCC(=O)COCC 1458a_100000211967_100000753159 [0,2,0,0,0,0|0,0,2]=4 5330 B9R0.18 C#CCCC(=O)CSCC 1458a_100000230394_100000753159 [0,2,0,0,0,0|2,0,0]=4 5331 B9R0.18 C#CCCC(=O)NCCC 11a_100020643023_100000692101 [0,2,0,0,0,0|2,0,0]=4 5332 B9R0.18 C#CCCC(=O)NCCC 1626a_100020643023_100000692101 [0,2,0,0,0,0|2,0,0]=4 5333 B9R0.18 C#CCCC(=O)NCCC 240690a_100020643023_100000692101 [0,2,0,0,0,0|2,0,0]=4 5334 B9R0.18 C#CCCC(=O)NCCC 527a_100020643023_100000692101 [0,2,0,0,0,0|2,0,0]=4 5335 B9R0.18 C#CCNC(=O)CCCC 11a_100000212058_100000210183 [0,2,0,0,0,0|1,0,0]=3 5336 B9R0.18 C#CCNC(=O)CCCC 1626a_100000212058_100000210183 [0,2,0,0,0,0|1,0,0]=3 5337 B9R0.18 C#CCNC(=O)CCCC 240690a_100000212058_100000210183 [0,2,0,0,0,0|1,0,0]=3 5338 B9R0.18 C#CCNC(=O)CCCC 527a_100000212058_100000210183 [0,2,0,0,0,0|1,0,0]=3 5339 B9R0.18 C#CCNC(=O)CCOC 11a_100000212058_100000749529 [0,2,0,0,0,0|2,0,0]=4 5340 B9R0.18 C#CCNC(=O)CCOC 1626a_100000212058_100000749529 [0,2,0,0,0,0|2,0,0]=4 5341 B9R0.18 C#CCNC(=O)CCOC 240690a_100000212058_100000749529 [0,2,0,0,0,0|2,0,0]=4 5342 B9R0.18 C#CCNC(=O)CCOC 527a_100000212058_100000749529 [0,2,0,0,0,0|2,0,0]=4 5343 B9R0.18 C#CCNC(=O)CCSC 11a_100000212058_100000174002 [0,2,0,0,0,0|2,0,0]=4 5344 B9R0.18 C#CCNC(=O)CCSC 1626a_100000212058_100000174002 [0,2,0,0,0,0|2,0,0]=4 5345 B9R0.18 C#CCNC(=O)CCSC 240690a_100000212058_100000174002 [0,2,0,0,0,0|2,0,0]=4 5346 B9R0.18 C#CCNC(=O)CCSC 527a_100000212058_100000174002 [0,2,0,0,0,0|2,0,0]=4 5347 B9R0.18 C#CCNC(=O)CNCC 2230a_100000747989_100000210202 [0,2,0,0,0,0|2,0,0]=4 5348 B9R0.18 C#CCNC(=O)CNCC 34a_100000747989_100000210202 [0,2,0,0,0,0|2,0,0]=4 5349 B9R0.18 C#CCNC(=O)COCC 11a_100000212058_100000211967 [0,2,0,0,0,0|2,0,0]=4 5350 B9R0.18 C#CCNC(=O)COCC 1626a_100000212058_100000211967 [0,2,0,0,0,0|2,0,0]=4 5351 B9R0.18 C#CCNC(=O)COCC 240690a_100000212058_100000211967 [0,2,0,0,0,0|2,0,0]=4 5352 B9R0.18 C#CCNC(=O)COCC 527a_100000212058_100000211967 [0,2,0,0,0,0|2,0,0]=4 5353 B9R0.18 C#CCNC(=O)CSCC 11a_100000212058_100000230394 [0,2,0,0,0,0|2,0,0]=4 5354 B9R0.18 C#CCNC(=O)CSCC 1626a_100000212058_100000230394 [0,2,0,0,0,0|2,0,0]=4 5355 B9R0.18 C#CCNC(=O)CSCC 240690a_100000212058_100000230394 [0,2,0,0,0,0|2,0,0]=4 5356 B9R0.18 C#CCNC(=O)CSCC 527a_100000212058_100000230394 [0,2,0,0,0,0|2,0,0]=4 5357 B9R0.18 C#CCNC(=O)NCCC 2708a_100000212058_100020643023 [0,2,0,0,0,0|2,0,0]=4 5358 B9R0.18 C#CCNC(=O)NCCC 2708a_100020643023_100000212058 [0,2,0,0,0,0|2,0,0]=4 5359 B9R0.18 C#CCNC(=O)NCCC 273464a_100000212058_100020643023 [0,2,0,0,0,0|2,0,0]=4 5360 B9R0.18 C#CCNC(=O)NCCC 273464a_100020643023_100000212058 [0,2,0,0,0,0|2,0,0]=4 5361 B9R0.18 C#CCNC(=O)NCCC 512a_100000212058_100020643023 [0,2,0,0,0,0|2,0,0]=4 5362 B9R0.18 C#CCNC(=O)NCCC 512a_100020643023_100000212058 [0,2,0,0,0,0|2,0,0]=4 5363 B9R0.18 C#CCOC(C)CCCC 34a_100000210247_200011215066 [0,2,0,0,0,0|1,0,1]=4 5364 B9R0.18 C#CCOC(C)CCCC 34a_100000687866_100000184674 [0,2,0,0,0,0|1,0,1]=4 5365 B9R0.18 C#CCOC(C)CCCC 7a_100000687866_100000038162 [0,2,0,0,0,0|1,0,1]=4 5366 B9R0.18 C/C=C/CC(=O)C=COC 1458a_100016268678_100102629194 [0,2,0,0,0,0|0,0,2]=4 5367 B9R0.18 C/C=C/CC(=O)CCCC 1458a_100000210183_100102629194 [0,2,0,0,0,0|1,0,0]=3 5368 B9R0.18 C/C=C/CC(=O)CCOC 1458a_100000749529_100102629194 [0,2,0,0,0,0|0,0,2]=4 5369 B9R0.18 C/C=C/CC(=O)CCSC 1458a_100000174002_100102629194 [0,2,0,0,0,0|2,0,0]=4 5370 B9R0.18 C/C=C/CC(=O)COCC 1458a_100000211967_100102629194 [0,2,0,0,0,0|0,0,2]=4 5371 B9R0.18 C/C=C/CC(=O)CSCC 1458a_100000230394_100102629194 [0,2,0,0,0,0|2,0,0]=4 5372 B9R0.18 C=C(COCC)OCOC 34a_100121572206_100000042856 [0,2,0,0,0,0|2,0,0]=4 5373 B9R0.18 C=C(CSCC)OCOC 62a_100000042856_100000210202 [0,2,0,0,0,0|2,0,0]=4 5374 B9R0.18 C=C(CSCC)OCOC 62a_100000210202_100000042856 [0,2,0,0,0,0|2,0,0]=4 5375 B9R0.18 C=CC=CC(=O)CCCC 1458a_100016291481_100000210211 [0,2,0,0,0,0|1,0,1]=4 5376 B9R0.18 C=CCCC(=O)C=COC 1458a_100016268678_100000754431 [0,2,0,0,0,0|0,0,2]=4 5377 B9R0.18 C=CCCC(=O)CCCC 1458a_100000210183_100000754431 [0,2,0,0,0,0|1,0,0]=3 5378 B9R0.18 C=CCCC(=O)CCCC 1458a_100000749702_100000210211 [0,2,0,0,0,0|1,0,0]=3 5379 B9R0.18 C=CCCC(=O)CCCF 1458a_100000749702_100011934791 [0,2,0,0,0,0|2,0,0]=4 5380 B9R0.18 C=CCCC(=O)CCCO 1458a_100000749702_100011215043 [0,2,0,0,0,0|2,0,0]=4 5381 B9R0.18 C=CCCC(=O)CCOC 1458a_100000749529_100000754431 [0,2,0,0,0,0|0,0,2]=4 5382 B9R0.18 C=CCCC(=O)CCOC 1458a_100000749702_100000233755 [0,2,0,0,0,0|0,0,2]=4 5383 B9R0.18 C=CCCC(=O)CCSC 1458a_100000174002_100000754431 [0,2,0,0,0,0|2,0,0]=4 5384 B9R0.18 C=CCCC(=O)CCSC 1458a_100000749702_100000751147 [0,2,0,0,0,0|2,0,0]=4 5385 B9R0.18 C=CCCC(=O)COCC 1458a_100000211967_100000754431 [0,2,0,0,0,0|0,0,2]=4 5386 B9R0.18 C=CCCC(=O)CSCC 1458a_100000230394_100000754431 [0,2,0,0,0,0|2,0,0]=4 5387 B9R0.18 C=CCCC(=O)NCCC 11a_100020643023_100000749702 [0,2,0,0,0,0|2,0,0]=4 5388 B9R0.18 C=CCCC(=O)NCCC 1626a_100020643023_100000749702 [0,2,0,0,0,0|2,0,0]=4 5389 B9R0.18 C=CCCC(=O)NCCC 240690a_100020643023_100000749702 [0,2,0,0,0,0|2,0,0]=4 5390 B9R0.18 C=CCCC(=O)NCCC 527a_100020643023_100000749702 [0,2,0,0,0,0|2,0,0]=4 5391 B9R0.18 C=CCNC(=O)CCCC 1626a_100020586998_100000210183 [0,2,0,0,0,0|1,0,0]=3 5392 B9R0.18 C=CCNC(=O)CCCC 240690a_100020586998_100000210183 [0,2,0,0,0,0|1,0,0]=3 5393 B9R0.18 C=CCNC(=O)CCCC 527a_100020586998_100000210183 [0,2,0,0,0,0|1,0,0]=3 5394 B9R0.18 C=CCNC(=O)CCNC 2230a_106832991635_100011222895 [0,2,0,0,0,0|2,0,0]=4 5395 B9R0.18 C=CCNC(=O)CCNC 7a_106832991635_100011222895 [0,2,0,0,0,0|2,0,0]=4 5396 B9R0.18 C=CCNC(=O)CCOC 1626a_100020586998_100000749529 [0,2,0,0,0,0|2,0,0]=4 5397 B9R0.18 C=CCNC(=O)CCOC 240690a_100020586998_100000749529 [0,2,0,0,0,0|2,0,0]=4 5398 B9R0.18 C=CCNC(=O)CCOC 527a_100020586998_100000749529 [0,2,0,0,0,0|2,0,0]=4 5399 B9R0.18 C=CCNC(=O)CCSC 1626a_100020586998_100000174002 [0,2,0,0,0,0|2,0,0]=4 5400 B9R0.18 C=CCNC(=O)CCSC 240690a_100020586998_100000174002 [0,2,0,0,0,0|2,0,0]=4 5401 B9R0.18 C=CCNC(=O)CCSC 527a_100020586998_100000174002 [0,2,0,0,0,0|2,0,0]=4 5402 B9R0.18 C=CCNC(=O)CCSC 62a_100011222895_200000210301 [0,2,0,0,0,0|2,0,0]=4 5403 B9R0.18 C=CCNC(=O)CCSC 62a_200000210301_100011222895 [0,2,0,0,0,0|2,0,0]=4 5404 B9R0.18 C=CCNC(=O)CCS[13CH3] 62a_100011222895_200025704644 [0,2,0,0,0,0|2,0,0]=4 5405 B9R0.18 C=CCNC(=O)CCS[13CH3] 62a_200025704644_100011222895 [0,2,0,0,0,0|2,0,0]=4 5406 B9R0.18 C=CCNC(=O)CNCC 2230a_100015525214_100000183597 [0,2,0,0,0,0|2,0,0]=4 5407 B9R0.18 C=CCNC(=O)COCC 1626a_100020586998_100000211967 [0,2,0,0,0,0|2,0,0]=4 5408 B9R0.18 C=CCNC(=O)COCC 240690a_100020586998_100000211967 [0,2,0,0,0,0|2,0,0]=4 5409 B9R0.18 C=CCNC(=O)COCC 527a_100020586998_100000211967 [0,2,0,0,0,0|2,0,0]=4 5410 B9R0.18 C=CCNC(=O)CSCC 1626a_100020586998_100000230394 [0,2,0,0,0,0|2,0,0]=4 5411 B9R0.18 C=CCNC(=O)CSCC 240690a_100020586998_100000230394 [0,2,0,0,0,0|2,0,0]=4 5412 B9R0.18 C=CCNC(=O)CSCC 527a_100020586998_100000230394 [0,2,0,0,0,0|2,0,0]=4 5413 B9R0.18 C=CCNC(=O)CSCC 62a_100000183597_100000210202 [0,2,0,0,0,0|2,0,0]=4 5414 B9R0.18 C=CCNC(=O)CSCC 62a_100000210202_100000183597 [0,2,0,0,0,0|2,0,0]=4 5415 B9R0.18 C=CCNC(=O)NCCC 2708a_100020643023_100020586998 [0,2,0,0,0,0|2,0,0]=4 5416 B9R0.18 C=CCNC(=O)NCCC 273464a_100020586998_100020643023 [0,2,0,0,0,0|2,0,0]=4 5417 B9R0.18 C=CCNC(=O)NCCC 273464a_100020643023_100020586998 [0,2,0,0,0,0|2,0,0]=4 5418 B9R0.18 C=CCNC(=O)NCCC 512a_100020586998_100020643023 [0,2,0,0,0,0|2,0,0]=4 5419 B9R0.18 C=CCNC(=O)NCCC 512a_100020643023_100020586998 [0,2,0,0,0,0|2,0,0]=4 5420 B9R0.18 C=CCOC(=O)CNCC 2230a_100015525214_100000033060 [0,2,0,0,0,0|1,0,0]=3 5421 B9R0.18 C=CCOC(=O)COCC 34a_100121572206_100000033060 [0,2,0,0,0,0|1,0,0]=3 5422 B9R0.18 C=CCOC(=O)CSCC 62a_100000033060_100000210202 [0,2,0,0,0,0|1,0,0]=3 5423 B9R0.18 C=CCOC(=O)CSCC 62a_100000210202_100000033060 [0,2,0,0,0,0|1,0,0]=3 5424 B9R0.18 C=CCOC(=O)CSCF 62a_100000033060_100015361967 [0,2,0,0,0,0|2,0,0]=4 5425 B9R0.18 C=CCOC(=O)CSCF 62a_100015361967_100000033060 [0,2,0,0,0,0|2,0,0]=4 5426 B9R0.18 C=CCOC(C)CCCC 34a_100000687866_100015514636 [0,2,0,0,0,0|1,0,1]=4 5427 B9R0.18 C=CCOC(C)CCCC 34a_200000210373_200011215066 [0,2,0,0,0,0|1,0,1]=4 5428 B9R0.18 C=CCOC(C)CCCC 7a_100000687866_100015514636 [0,2,0,0,0,0|1,0,1]=4 5429 B9R0.18 CC#CCC(=O)C=COC 1458a_100016268678_100000748600 [0,2,0,0,0,0|0,0,2]=4 5430 B9R0.18 CC#CCC(=O)CCCC 1458a_100000210183_100000748600 [0,2,0,0,0,0|1,0,0]=3 5431 B9R0.18 CC#CCC(=O)CCOC 1458a_100000749529_100000748600 [0,2,0,0,0,0|0,0,2]=4 5432 B9R0.18 CC#CCC(=O)CCSC 1458a_100000174002_100000748600 [0,2,0,0,0,0|2,0,0]=4 5433 B9R0.18 CC#CCC(=O)COCC 1458a_100000211967_100000748600 [0,2,0,0,0,0|0,0,2]=4 5434 B9R0.18 CC#CCC(=O)CSCC 1458a_100000230394_100000748600 [0,2,0,0,0,0|2,0,0]=4 5435 B9R0.18 CC=CCC(=O)C=COC 1458a_100016268678_100000070051 [0,2,0,0,0,0|0,0,2]=4 5436 B9R0.18 CC=CCC(=O)CCCC 1458a_100000210183_100000070051 [0,2,0,0,0,0|1,0,0]=3 5437 B9R0.18 CC=CCC(=O)CCCC 1458a_100121576822_100000210211 [0,2,0,0,0,0|1,0,0]=3 5438 B9R0.18 CC=CCC(=O)CCCF 1458a_100121576822_100011934791 [0,2,0,0,0,0|2,0,0]=4 5439 B9R0.18 CC=CCC(=O)CCCO 1458a_100121576822_100011215043 [0,2,0,0,0,0|2,0,0]=4 5440 B9R0.18 CC=CCC(=O)CCOC 1458a_100000749529_100000070051 [0,2,0,0,0,0|0,0,2]=4 5441 B9R0.18 CC=CCC(=O)CCOC 1458a_100121576822_100000233755 [0,2,0,0,0,0|0,0,2]=4 5442 B9R0.18 CC=CCC(=O)CCSC 1458a_100000174002_100000070051 [0,2,0,0,0,0|2,0,0]=4 5443 B9R0.18 CC=CCC(=O)CCSC 1458a_100121576822_100000751147 [0,2,0,0,0,0|2,0,0]=4 5444 B9R0.18 CC=CCC(=O)COCC 1458a_100000211967_100000070051 [0,2,0,0,0,0|0,0,2]=4 5445 B9R0.18 CC=CCC(=O)CSCC 1458a_100000230394_100000070051 [0,2,0,0,0,0|2,0,0]=4 5446 B9R0.18 CC=CCC(=O)NCCC 11a_100020643023_100121576822 [0,2,0,0,0,0|2,0,0]=4 5447 B9R0.18 CC=CCC(=O)NCCC 1626a_100020643023_100121576822 [0,2,0,0,0,0|2,0,0]=4 5448 B9R0.18 CC=CCC(=O)NCCC 240690a_100020643023_100121576822 [0,2,0,0,0,0|2,0,0]=4 5449 B9R0.18 CC=CCC(=O)NCCC 527a_100020643023_100121576822 [0,2,0,0,0,0|2,0,0]=4 5450 B9R0.18 CC=NNC(=O)CCCC 4a_100000189769_200000210099 [0,2,0,0,0,0|1,0,0]=3 5451 B9R0.18 CC=NNC(=O)CCOC 4a_100011260505_200000210099 [0,2,0,0,0,0|2,0,0]=4 5452 B9R0.18 CC=NNC(=O)COCC 4a_100000216846_200000210099 [0,2,0,0,0,0|2,0,0]=4 5453 B9R0.18 CCC#CC(=O)CCCC 1458a_100011827653_100000210211 [0,2,0,0,0,0|1,0,0]=3 5454 B9R0.18 CCC#CC(=O)CCCF 1458a_100011827653_100011934791 [0,2,0,0,0,0|2,0,0]=4 5455 B9R0.18 CCC#CC(=O)CCCO 1458a_100011827653_100011215043 [0,2,0,0,0,0|2,0,0]=4 5456 B9R0.18 CCC#CC(=O)CCOC 1458a_100011827653_100000233755 [0,2,0,0,0,0|0,0,2]=4 5457 B9R0.18 CCC#CC(=O)CCSC 1458a_100011827653_100000751147 [0,2,0,0,0,0|2,0,0]=4 5458 B9R0.18 CCC=CC(=O)CCCC 1458a_100000212282_100000210211 [0,2,0,0,0,0|1,0,0]=3 5459 B9R0.18 CCC=CC(=O)CCCF 1458a_100000212282_100011934791 [0,2,0,0,0,0|2,0,0]=4 5460 B9R0.18 CCC=CC(=O)CCCO 1458a_100000212282_100011215043 [0,2,0,0,0,0|2,0,0]=4 5461 B9R0.18 CCC=CC(=O)CCOC 1458a_100000212282_100000233755 [0,2,0,0,0,0|0,0,2]=4 5462 B9R0.18 CCC=CC(=O)CCSC 1458a_100000212282_100000751147 [0,2,0,0,0,0|2,0,0]=4 5463 B9R0.18 CCC=CC(=O)NCCC 11a_100020643023_100000212282 [0,2,0,0,0,0|2,0,0]=4 5464 B9R0.18 CCC=CC(=O)NCCC 1626a_100020643023_100000212282 [0,2,0,0,0,0|2,0,0]=4 5465 B9R0.18 CCC=CC(=O)NCCC 240690a_100020643023_100000212282 [0,2,0,0,0,0|2,0,0]=4 5466 B9R0.18 CCCCC(=NNCC)C 4a_100000756455_100000210087 [0,2,0,0,0,0|2,0,0]=4 5467 B9R0.18 CCCCC(=O)C#CCO 1458a_100000049017_100000210211 [0,2,0,0,0,0|1,0,0]=3 5468 B9R0.18 CCCCC(=O)C=COC 1458a_100016268678_100000210211 [0,2,0,0,0,0|0,0,0]=2 5469 B9R0.18 CCCCC(=O)CCC#N 1458a_100000210183_100011215226 [0,2,0,0,0,0|1,0,0]=3 5470 B9R0.18 CCCCC(=O)CCC#N 1458a_100011934036_100000210211 [0,2,0,0,0,0|1,0,0]=3 5471 B9R0.18 CCCCC(=O)CCCC 1458a_100000210183_100000210211 [0,2,0,0,0,0|1,0,0]=3 5472 B9R0.18 CCCCC(=O)CCCF 1458a_100000210183_100011934791 [0,2,0,0,0,0|1,0,0]=3 5473 B9R0.18 CCCCC(=O)CCCO 1458a_100000210183_100011215043 [0,2,0,0,0,0|1,0,0]=3 5474 B9R0.18 CCCCC(=O)CCOC 1458a_100000210183_100000233755 [0,2,0,0,0,0|0,0,0]=2 5475 B9R0.18 CCCCC(=O)CCOC 1458a_100000749529_100000210211 [0,2,0,0,0,0|0,0,0]=2 5476 B9R0.18 CCCCC(=O)CCSC 1458a_100000174002_100000210211 [0,2,0,0,0,0|0,1,0]=3 5477 B9R0.18 CCCCC(=O)CCSC 1458a_100000210183_100000751147 [0,2,0,0,0,0|0,1,0]=3 5478 B9R0.18 CCCCC(=O)COCC 1458a_100000211967_100000210211 [0,2,0,0,0,0|0,0,0]=2 5479 B9R0.18 CCCCC(=O)CSCC 1458a_100000230394_100000210211 [0,2,0,0,0,0|0,1,0]=3 5480 B9R0.18 CCCCC(=O)NCC#N 1626a_100000734998_100000210183 [0,2,0,0,0,0|1,0,0]=3 5481 B9R0.18 CCCCC(=O)NCC#N 527a_100000734998_100000210183 [0,2,0,0,0,0|1,0,0]=3 5482 B9R0.18 CCCCC(=O)NCCC 11a_100020643023_100000210183 [0,2,0,0,0,0|1,0,0]=3 5483 B9R0.18 CCCCC(=O)NCCC 1626a_100020643023_100000210183 [0,2,0,0,0,0|1,0,0]=3 5484 B9R0.18 CCCCC(=O)NCCC 240690a_100020643023_100000210183 [0,2,0,0,0,0|1,0,0]=3 5485 B9R0.18 CCCCC(=O)NCCC 527a_100020643023_100000210183 [0,2,0,0,0,0|1,0,0]=3 5486 B9R0.18 CCCCC(=O)NCCF 11a_100000724931_100000210183 [0,2,0,0,0,0|1,0,0]=3 5487 B9R0.18 CCCCC(=O)NCCF 1626a_100000724931_100000210183 [0,2,0,0,0,0|1,0,0]=3 5488 B9R0.18 CCCCC(=O)NCCF 240690a_100000724931_100000210183 [0,2,0,0,0,0|1,0,0]=3 5489 B9R0.18 CCCCC(=O)NCCF 527a_100000724931_100000210183 [0,2,0,0,0,0|1,0,0]=3 5490 B9R0.18 CCCCC(=O)NCCO 240690a_100000210304_100000210183 [0,2,0,0,0,0|1,0,0]=3 5491 B9R0.18 CCCCC(=O)NCCO 527a_100000210304_100000210183 [0,2,0,0,0,0|1,0,0]=3 5492 B9R0.18 CCCCC(=O)NNCC 22a_100000756455_100000210183 [0,2,0,0,0,0|1,0,0]=3 5493 B9R0.18 CCCCC(C)COCC 34a_100011995851_100000210202 [0,2,0,0,0,0|1,0,1]=4 5494 B9R0.18 CCCCC(C)COCC 7a_100011995851_100000210202 [0,2,0,0,0,0|1,0,1]=4 5495 B9R0.18 CCCCC(C)COCF 34a_100011995851_100015361967 [0,2,0,0,0,0|1,0,1]=4 5496 B9R0.18 CCCCC(C)COCF 7a_100011995851_100015361967 [0,2,0,0,0,0|1,0,1]=4 5497 B9R0.18 CCCCC(C)NCOC 2230a_100000126638_100000766300 [0,2,0,0,0,0|1,0,1]=4 5498 B9R0.18 CCCCC(C)OCC#N 7a_100000687866_100011215382 [0,2,0,0,0,0|1,0,1]=4 5499 B9R0.18 CCCCC(C)OCC=O 34a_100000687866_200009817547 [0,2,0,0,0,0|1,0,1]=4 5500 B9R0.18 CCCCC(C)OCC=O 7a_100000687866_200015260668 [0,2,0,0,0,0|1,0,1]=4 5501 B9R0.18 CCCCC(C)OCCBr 34a_100000211926_200011215066 [0,2,0,0,0,0|1,0,1]=4 5502 B9R0.18 CCCCC(C)OCCC 34a_100000210258_200011215066 [0,2,0,0,0,0|1,0,1]=4 5503 B9R0.18 CCCCC(C)OCCC 34a_100000687866_100000210303 [0,2,0,0,0,0|1,0,1]=4 5504 B9R0.18 CCCCC(C)OCCC 7a_100000687866_100000210303 [0,2,0,0,0,0|1,0,1]=4 5505 B9R0.18 CCCCC(C)OCCF 34a_100000687866_100011217306 [0,2,0,0,0,0|1,0,1]=4 5506 B9R0.18 CCCCC(C)OCCF 7a_100000687866_100011217306 [0,2,0,0,0,0|1,0,1]=4 5507 B9R0.18 CCCCC(C)OCCN 34a_100000210304_200011215066 [0,2,0,0,0,0|1,0,1]=4 5508 B9R0.18 CCCCC(C)OCCO 34a_100000687866_100000211926 [0,2,0,0,0,0|1,0,1]=4 5509 B9R0.18 CCCCC(C)OCCO 7a_100000687866_100000211926 [0,2,0,0,0,0|1,0,1]=4 5510 B9R0.18 CCCCC(C)OCSC 34a_100000687866_100011218213 [0,2,0,0,0,0|1,0,1]=4 5511 B9R0.18 CCCCC(C)SCOC 62a_100000766300_200011215066 [0,2,0,0,0,0|1,0,1]=4 5512 B9R0.18 CCCCC(C)SCOC 62a_200011215066_100000766300 [0,2,0,0,0,0|1,0,1]=4 5513 B9R0.18 CCCCN(C)CCOC 2230a_100000207391_200000210301 [0,2,0,0,0,0|2,0,0]=4 5514 B9R0.18 CCCCN(C)CCOC 2230a_100000207549_100011201679 [0,2,0,0,0,0|2,0,0]=4 5515 B9R0.18 CCCCN(C)CCOC 2230a_100000743101_100000210211 [0,2,0,0,0,0|2,0,0]=4 5516 B9R0.18 CCCCN(C)CCOC 269982a_100000207391_200000210301 [0,2,0,0,0,0|2,0,0]=4 5517 B9R0.18 CCCCN(C)CCOC 269982a_100000207549_100000233755 [0,2,0,0,0,0|2,0,0]=4 5518 B9R0.18 CCCCN(C)CCOC 269982a_100000743101_100000210211 [0,2,0,0,0,0|2,0,0]=4 5519 B9R0.18 CCCCN(C)COCC 269982a_100000207549_100000739092 [0,2,0,0,0,0|2,0,0]=4 5520 B9R0.18 CCCCN([13CH3])CCOC 2230a_100000207391_200025704644 [0,2,0,0,0,0|2,0,0]=4 5521 B9R0.18 CCCCN([13CH3])CCOC 269982a_100000207391_200025704644 [0,2,0,0,0,0|2,0,0]=4 5522 B9R0.18 CCCC[C@H](N)COCC 34a_100011934283_100000210202 [0,2,0,0,0,0|1,0,1]=4 5523 B9R0.18 CCCC[C@H](N)COCF 34a_100011934283_100015361967 [0,2,0,0,0,0|1,0,1]=4 5524 B9R0.18 CCCNC(=O)C=COC 1626a_100020643023_100016268678 [0,2,0,0,0,0|1,0,0]=3 5525 B9R0.18 CCCNC(=O)C=COC 240690a_100020643023_100016268678 [0,2,0,0,0,0|1,0,0]=3 5526 B9R0.18 CCCNC(=O)CCC#N 11a_100020643023_100011934036 [0,2,0,0,0,0|2,0,0]=4 5527 B9R0.18 CCCNC(=O)CCC#N 1626a_100020643023_100011934036 [0,2,0,0,0,0|2,0,0]=4 5528 B9R0.18 CCCNC(=O)CCC#N 240690a_100020643023_100011934036 [0,2,0,0,0,0|2,0,0]=4 5529 B9R0.18 CCCNC(=O)CCC#N 527a_100020643023_100011934036 [0,2,0,0,0,0|2,0,0]=4 5530 B9R0.18 CCCNC(=O)CCOC 11a_100020643023_100000749529 [0,2,0,0,0,0|1,0,0]=3 5531 B9R0.18 CCCNC(=O)CCOC 1626a_100020643023_100000749529 [0,2,0,0,0,0|1,0,0]=3 5532 B9R0.18 CCCNC(=O)CCOC 240690a_100020643023_100000749529 [0,2,0,0,0,0|1,0,0]=3 5533 B9R0.18 CCCNC(=O)CCOC 527a_100020643023_100000749529 [0,2,0,0,0,0|1,0,0]=3 5534 B9R0.18 CCCNC(=O)CCSC 11a_100020643023_100000174002 [0,2,0,0,0,0|1,1,0]=4 5535 B9R0.18 CCCNC(=O)CCSC 1626a_100020643023_100000174002 [0,2,0,0,0,0|1,1,0]=4 5536 B9R0.18 CCCNC(=O)CCSC 240690a_100020643023_100000174002 [0,2,0,0,0,0|1,1,0]=4 5537 B9R0.18 CCCNC(=O)CCSC 527a_100020643023_100000174002 [0,2,0,0,0,0|1,1,0]=4 5538 B9R0.18 CCCNC(=O)CNCC 2230a_100000174927_100000210202 [0,2,0,0,0,0|2,0,0]=4 5539 B9R0.18 CCCNC(=O)CNCC 2230a_100015525214_100000183358 [0,2,0,0,0,0|2,0,0]=4 5540 B9R0.18 CCCNC(=O)COCC 11a_100020643023_100000211967 [0,2,0,0,0,0|1,0,0]=3 5541 B9R0.18 CCCNC(=O)COCC 1626a_100020643023_100000211967 [0,2,0,0,0,0|1,0,0]=3 5542 B9R0.18 CCCNC(=O)COCC 240690a_100020643023_100000211967 [0,2,0,0,0,0|1,0,0]=3 5543 B9R0.18 CCCNC(=O)COCC 34a_100121572206_100000183358 [0,2,0,0,0,0|1,0,0]=3 5544 B9R0.18 CCCNC(=O)COCC 527a_100020643023_100000211967 [0,2,0,0,0,0|1,0,0]=3 5545 B9R0.18 CCCNC(=O)CSCC 11a_100020643023_100000230394 [0,2,0,0,0,0|1,1,0]=4 5546 B9R0.18 CCCNC(=O)CSCC 1626a_100020643023_100000230394 [0,2,0,0,0,0|1,1,0]=4 5547 B9R0.18 CCCNC(=O)CSCC 240690a_100020643023_100000230394 [0,2,0,0,0,0|1,1,0]=4 5548 B9R0.18 CCCNC(=O)CSCC 527a_100020643023_100000230394 [0,2,0,0,0,0|1,1,0]=4 5549 B9R0.18 CCCNC(=O)CSCC 62a_100000183358_100000210202 [0,2,0,0,0,0|1,1,0]=4 5550 B9R0.18 CCCNC(=O)CSCC 62a_100000210202_100000183358 [0,2,0,0,0,0|1,1,0]=4 5551 B9R0.18 CCCNC(=O)CSCF 62a_100000183358_100015361967 [0,2,0,0,0,0|1,1,0]=4 5552 B9R0.18 CCCNC(=O)CSCF 62a_100015361967_100000183358 [0,2,0,0,0,0|1,1,0]=4 5553 B9R0.18 CCCNC(=O)NCC#N 2708a_100000734998_100020643023 [0,2,0,0,0,0|2,0,0]=4 5554 B9R0.18 CCCNC(=O)NCC#N 273464a_100000734998_100020643023 [0,2,0,0,0,0|2,0,0]=4 5555 B9R0.18 CCCNC(=O)NCC#N 273464a_100020643023_100000734998 [0,2,0,0,0,0|2,0,0]=4 5556 B9R0.18 CCCNC(=O)NCC#N 512a_100000734998_100020643023 [0,2,0,0,0,0|2,0,0]=4 5557 B9R0.18 CCCNC(=O)NCC#N 512a_100020643023_100000734998 [0,2,0,0,0,0|2,0,0]=4 5558 B9R0.18 CCCNC(=O)NCCC 2708a_100020643023_100020643023 [0,2,0,0,0,0|2,0,0]=4 5559 B9R0.18 CCCNC(=O)NCCC 273464a_100020643023_100020643023 [0,2,0,0,0,0|2,0,0]=4 5560 B9R0.18 CCCNC(=O)NCCC 512a_100020643023_100020643023 [0,2,0,0,0,0|2,0,0]=4 5561 B9R0.18 CCCNC(=O)NCCF 2708a_100020643023_100000724931 [0,2,0,0,0,0|2,0,0]=4 5562 B9R0.18 CCCNC(=O)NCCF 273464a_100000724931_100020643023 [0,2,0,0,0,0|2,0,0]=4 5563 B9R0.18 CCCNC(=O)NCCF 273464a_100020643023_100000724931 [0,2,0,0,0,0|2,0,0]=4 5564 B9R0.18 CCCNC(=O)NCCF 512a_100020643023_100000724931 [0,2,0,0,0,0|2,0,0]=4 5565 B9R0.18 CCCNC(=O)NCCO 2708a_100020643023_100000210304 [0,2,0,0,0,0|2,0,0]=4 5566 B9R0.18 CCCNC(=O)NCCO 273464a_100000210304_100020643023 [0,2,0,0,0,0|2,0,0]=4 5567 B9R0.18 CCCNC(=O)NCCO 273464a_100020643023_100000210304 [0,2,0,0,0,0|2,0,0]=4 5568 B9R0.18 CCCNC(=O)NCCO 512a_100020643023_100000210304 [0,2,0,0,0,0|2,0,0]=4 5569 B9R0.18 CCCNC(=O)NNCC 273464a_100020643023_100000756455 [0,2,0,0,0,0|2,0,0]=4 5570 B9R0.18 CCCNC(=O)NNCC 512a_100000756455_100020643023 [0,2,0,0,0,0|2,0,0]=4 5571 B9R0.18 CCCNC(=O)NNCC 512a_100020643023_100000756455 [0,2,0,0,0,0|2,0,0]=4 5572 B9R0.18 CCCOC(=O)CNCC 2230a_100015525214_200011215008 [0,2,0,0,0,0|1,0,0]=3 5573 B9R0.18 CCCOC(=O)COCC 34a_100121572206_200011215008 [0,2,0,0,0,0|1,0,0]=3 5574 B9R0.18 CCCOC(=O)CSCC 62a_100000210202_200011215008 [0,2,0,0,0,0|1,0,0]=3 5575 B9R0.18 CCCOC(=O)CSCC 62a_200011215008_100000210202 [0,2,0,0,0,0|1,0,0]=3 5576 B9R0.18 CCCOC(=O)CSCF 62a_100015361967_200011215008 [0,2,0,0,0,0|1,1,0]=4 5577 B9R0.18 CCCOC(=O)CSCF 62a_200011215008_100015361967 [0,2,0,0,0,0|1,1,0]=4 5578 B9R0.18 CCCOC(=O)OCNC 34a_100102657272_200000139673 [0,2,0,0,0,0|1,0,0]=3 5579 B9R0.18 CCCOC(=O)OCNC 7a_106832991635_200000139673 [0,2,0,0,0,0|1,0,0]=3 5580 B9R0.18 CCCOC(=O)OCOC 34a_100138415774_200000139673 [0,2,0,0,0,0|1,0,0]=3 5581 B9R0.18 CCCOC(=O)OCSC 62a_200000210301_200000139673 [0,2,0,0,0,0|1,0,0]=3 5582 B9R0.18 CCCOC(=O)OCS[13CH3] 62a_200025704644_200000139673 [0,2,0,0,0,0|1,0,0]=3 5583 B9R0.18 CCNCC(=O)NCC#N 2230a_100015525214_100000736037 [0,2,0,0,0,0|2,0,0]=4 5584 B9R0.18 CCNCC(=O)NCCF 2230a_100000725713_100000210202 [0,2,0,0,0,0|2,0,0]=4 5585 B9R0.18 CCNNC(=O)C=COC 22a_100000756455_100016268678 [0,2,0,0,0,0|2,0,0]=4 5586 B9R0.18 CCNNC(=O)CCOC 22a_100000756455_100000749529 [0,2,0,0,0,0|2,0,0]=4 5587 B9R0.18 CCNNC(=O)CCSC 22a_100000756455_100000174002 [0,2,0,0,0,0|2,0,0]=4 5588 B9R0.18 CCNNC(=O)COCC 22a_100000756455_100000211967 [0,2,0,0,0,0|2,0,0]=4 5589 B9R0.18 CCNNC(=O)CSCC 22a_100000756455_100000230394 [0,2,0,0,0,0|2,0,0]=4 5590 B9R0.18 CCOCC(=O)CCC#N 1458a_100000211967_100011215226 [0,2,0,0,0,0|1,0,1]=4 5591 B9R0.18 CCOCC(=O)CCCF 1458a_100000211967_100011934791 [0,2,0,0,0,0|1,0,0]=3 5592 B9R0.18 CCOCC(=O)CCCO 1458a_100000211967_100011215043 [0,2,0,0,0,0|1,0,0]=3 5593 B9R0.18 CCOCC(=O)CCOC 1458a_100000211967_100000233755 [0,2,0,0,0,0|1,0,0]=3 5594 B9R0.18 CCOCC(=O)CCSC 1458a_100000211967_100000751147 [0,2,0,0,0,0|1,0,0]=3 5595 B9R0.18 CCOCC(=O)NCC#N 1626a_100000734998_100000211967 [0,2,0,0,0,0|2,0,0]=4 5596 B9R0.18 CCOCC(=O)NCC#N 527a_100000734998_100000211967 [0,2,0,0,0,0|2,0,0]=4 5597 B9R0.18 CCOCC(=O)NCCF 11a_100000724931_100000211967 [0,2,0,0,0,0|2,0,0]=4 5598 B9R0.18 CCOCC(=O)NCCF 1626a_100000724931_100000211967 [0,2,0,0,0,0|2,0,0]=4 5599 B9R0.18 CCOCC(=O)NCCF 240690a_100000724931_100000211967 [0,2,0,0,0,0|2,0,0]=4 5600 B9R0.18 CCOCC(=O)NCCF 527a_100000724931_100000211967 [0,2,0,0,0,0|2,0,0]=4 5601 B9R0.18 CCOCC(=O)NCCO 240690a_100000210304_100000211967 [0,2,0,0,0,0|2,0,0]=4 5602 B9R0.18 CCOCC(=O)NCCO 527a_100000210304_100000211967 [0,2,0,0,0,0|2,0,0]=4 5603 B9R0.18 CCSCC(=O)CCC#N 1458a_100000230394_100011215226 [0,2,0,0,0,0|2,0,0]=4 5604 B9R0.18 CCSCC(=O)CCCF 1458a_100000230394_100011934791 [0,2,0,0,0,0|1,1,0]=4 5605 B9R0.18 CCSCC(=O)CCCO 1458a_100000230394_100011215043 [0,2,0,0,0,0|1,1,0]=4 5606 B9R0.18 CCSCC(=O)CCOC 1458a_100000230394_100000233755 [0,2,0,0,0,0|1,0,0]=3 5607 B9R0.18 CCSCC(=O)CCSC 1458a_100000230394_100000751147 [0,2,0,0,0,0|1,1,0]=4 5608 B9R0.18 CCSCC(=O)NCC#N 1626a_100000734998_100000230394 [0,2,0,0,0,0|2,0,0]=4 5609 B9R0.18 CCSCC(=O)NCC#N 527a_100000734998_100000230394 [0,2,0,0,0,0|2,0,0]=4 5610 B9R0.18 CCSCC(=O)NCC#N 62a_100000210202_100000736037 [0,2,0,0,0,0|2,0,0]=4 5611 B9R0.18 CCSCC(=O)NCC#N 62a_100000736037_100000210202 [0,2,0,0,0,0|2,0,0]=4 5612 B9R0.18 CCSCC(=O)NCCF 11a_100000724931_100000230394 [0,2,0,0,0,0|2,0,0]=4 5613 B9R0.18 CCSCC(=O)NCCF 1626a_100000724931_100000230394 [0,2,0,0,0,0|2,0,0]=4 5614 B9R0.18 CCSCC(=O)NCCF 240690a_100000724931_100000230394 [0,2,0,0,0,0|2,0,0]=4 5615 B9R0.18 CCSCC(=O)NCCF 527a_100000724931_100000230394 [0,2,0,0,0,0|2,0,0]=4 5616 B9R0.18 CCSCC(=O)NCCO 240690a_100000210304_100000230394 [0,2,0,0,0,0|2,0,0]=4 5617 B9R0.18 CCSCC(=O)NCCO 527a_100000210304_100000230394 [0,2,0,0,0,0|2,0,0]=4 5618 B9R0.18 COC=CC(=O)CCC#N 1458a_100016268678_100011215226 [0,2,0,0,0,0|1,0,1]=4 5619 B9R0.18 COC=CC(=O)CCCF 1458a_100016268678_100011934791 [0,2,0,0,0,0|1,0,0]=3 5620 B9R0.18 COC=CC(=O)CCCO 1458a_100016268678_100011215043 [0,2,0,0,0,0|1,0,0]=3 5621 B9R0.18 COC=CC(=O)CCOC 1458a_100016268678_100000233755 [0,2,0,0,0,0|1,0,0]=3 5622 B9R0.18 COC=CC(=O)CCSC 1458a_100016268678_100000751147 [0,2,0,0,0,0|1,0,0]=3 5623 B9R0.18 COC=CC(=O)NCCF 1626a_100000724931_100016268678 [0,2,0,0,0,0|2,0,0]=4 5624 B9R0.18 COC=CC(=O)NCCF 240690a_100000724931_100016268678 [0,2,0,0,0,0|2,0,0]=4 5625 B9R0.18 COC=CC(=O)NCCO 240690a_100000210304_100016268678 [0,2,0,0,0,0|2,0,0]=4 5626 B9R0.18 COCCC(=O)C#CCO 1458a_100000049017_100000233755 [0,2,0,0,0,0|2,0,0]=4 5627 B9R0.18 COCCC(=O)CCC#N 1458a_100000749529_100011215226 [0,2,0,0,0,0|1,0,1]=4 5628 B9R0.18 COCCC(=O)CCC#N 1458a_100011934036_100000233755 [0,2,0,0,0,0|1,0,1]=4 5629 B9R0.18 COCCC(=O)CCCF 1458a_100000749529_100011934791 [0,2,0,0,0,0|1,0,0]=3 5630 B9R0.18 COCCC(=O)CCCO 1458a_100000749529_100011215043 [0,2,0,0,0,0|1,0,0]=3 5631 B9R0.18 COCCC(=O)CCOC 1458a_100000749529_100000233755 [0,2,0,0,0,0|1,0,0]=3 5632 B9R0.18 COCCC(=O)CCSC 1458a_100000174002_100000233755 [0,2,0,0,0,0|1,0,0]=3 5633 B9R0.18 COCCC(=O)CCSC 1458a_100000749529_100000751147 [0,2,0,0,0,0|1,0,0]=3 5634 B9R0.18 COCCC(=O)NCC#N 1626a_100000734998_100000749529 [0,2,0,0,0,0|2,0,0]=4 5635 B9R0.18 COCCC(=O)NCC#N 527a_100000734998_100000749529 [0,2,0,0,0,0|2,0,0]=4 5636 B9R0.18 COCCC(=O)NCCF 11a_100000724931_100000749529 [0,2,0,0,0,0|2,0,0]=4 5637 B9R0.18 COCCC(=O)NCCF 1626a_100000724931_100000749529 [0,2,0,0,0,0|2,0,0]=4 5638 B9R0.18 COCCC(=O)NCCF 240690a_100000724931_100000749529 [0,2,0,0,0,0|2,0,0]=4 5639 B9R0.18 COCCC(=O)NCCF 527a_100000724931_100000749529 [0,2,0,0,0,0|2,0,0]=4 5640 B9R0.18 COCCC(=O)NCCO 240690a_100000210304_100000749529 [0,2,0,0,0,0|2,0,0]=4 5641 B9R0.18 COCCC(=O)NCCO 527a_100000210304_100000749529 [0,2,0,0,0,0|2,0,0]=4 5642 B9R0.18 CSCCC(=O)C#CCO 1458a_100000049017_100000751147 [0,2,0,0,0,0|2,0,0]=4 5643 B9R0.18 CSCCC(=O)CCC#N 1458a_100000174002_100011215226 [0,2,0,0,0,0|2,0,0]=4 5644 B9R0.18 CSCCC(=O)CCC#N 1458a_100011934036_100000751147 [0,2,0,0,0,0|2,0,0]=4 5645 B9R0.18 CSCCC(=O)CCCF 1458a_100000174002_100011934791 [0,2,0,0,0,0|1,1,0]=4 5646 B9R0.18 CSCCC(=O)CCCO 1458a_100000174002_100011215043 [0,2,0,0,0,0|1,1,0]=4 5647 B9R0.18 CSCCC(=O)CCSC 1458a_100000174002_100000751147 [0,2,0,0,0,0|1,1,0]=4 5648 B9R0.18 CSCCC(=O)NCC#N 1626a_100000734998_100000174002 [0,2,0,0,0,0|2,0,0]=4 5649 B9R0.18 CSCCC(=O)NCC#N 527a_100000734998_100000174002 [0,2,0,0,0,0|2,0,0]=4 5650 B9R0.18 CSCCC(=O)NCCF 11a_100000724931_100000174002 [0,2,0,0,0,0|2,0,0]=4 5651 B9R0.18 CSCCC(=O)NCCF 1626a_100000724931_100000174002 [0,2,0,0,0,0|2,0,0]=4 5652 B9R0.18 CSCCC(=O)NCCF 240690a_100000724931_100000174002 [0,2,0,0,0,0|2,0,0]=4 5653 B9R0.18 CSCCC(=O)NCCF 527a_100000724931_100000174002 [0,2,0,0,0,0|2,0,0]=4 5654 B9R0.18 CSCCC(=O)NCCO 240690a_100000210304_100000174002 [0,2,0,0,0,0|2,0,0]=4 5655 B9R0.18 CSCCC(=O)NCCO 527a_100000210304_100000174002 [0,2,0,0,0,0|2,0,0]=4 5656 B9R0.18 N#CCCC(=O)CCCF 1458a_100011934036_100011934791 [0,2,0,0,0,0|2,0,0]=4 5657 B9R0.18 N#CCCC(=O)CCCO 1458a_100011934036_100011215043 [0,2,0,0,0,0|2,0,0]=4 5658 B9R0.18 O=C(C#CCO)CCCF 1458a_100000049017_100011934791 [0,2,0,0,0,0|2,0,0]=4 5659 B9R0.18 O=C(C#CCO)CCCO 1458a_100000049017_100011215043 [0,2,0,0,0,0|2,0,0]=4 5660 B9R0.34 C#CC(=O)CC(=O)CCC 1458a_100000211873_100000747444 [0,2,0,0,0,0|1,0,1]=4 5661 B9R0.34 C#CC(=O)CC(C)CCC 1458a_100000211873_100011216630 [0,2,0,0,0,0|1,0,1]=4 5662 B9R0.34 C#CCC(=O)CC(=O)OC 1458a_100000211351_100000184674 [0,2,0,0,0,0|0,0,2]=4 5663 B9R0.34 C#CCC(=O)CC(=O)OC 1458a_100011220946_100000747449 [0,2,0,0,0,0|0,0,2]=4 5664 B9R0.34 C#CCC(=O)CC(C)CC 1458a_100000708755_100000184674 [0,2,0,0,0,0|1,0,1]=4 5665 B9R0.34 C#CCC(=O)CC(C)CC 1458a_100011220946_100000748023 [0,2,0,0,0,0|1,0,1]=4 5666 B9R0.34 C#CCC(=O)CC(O)CC 1458a_100011220946_100011218378 [0,2,0,0,0,0|1,0,1]=4 5667 B9R0.34 C#CCC(=O)CC(O)CC 1458a_100011667805_100000184674 [0,2,0,0,0,0|1,0,1]=4 5668 B9R0.34 C#CCC(=O)C[C@@H](C)CC 1458a_100011220946_100009816398 [0,2,0,0,0,0|1,0,1]=4 5669 B9R0.34 C#CCN(C)CC(=O)OC 2230a_100000198492_100000038162 [0,2,0,0,0,0|0,0,2]=4 5670 B9R0.34 C#CCN(C)CC(=O)OC 2230a_100000225692_100000747449 [0,2,0,0,0,0|0,0,2]=4 5671 B9R0.34 C#CCN(C)CC(=O)OC 34a_100000225692_100000747449 [0,2,0,0,0,0|0,0,2]=4 5672 B9R0.34 C=C(CCC)CC(=O)CC 1458a_100000138376_100000210202 [0,2,0,0,0,0|1,0,0]=3 5673 B9R0.34 C=C(CCC)CC(=O)CF 1458a_100000138376_100015361967 [0,2,0,0,0,0|2,0,0]=4 5674 B9R0.34 C=C(CCC)CC(=O)NC 11a_106832991635_100000138376 [0,2,0,0,0,0|1,0,0]=3 5675 B9R0.34 C=C(CCC)CC(=O)NC 240690a_100102657272_100000138376 [0,2,0,0,0,0|1,0,0]=3 5676 B9R0.34 C=C(CCC)CC(=O)NC 527a_100102657272_100000138376 [0,2,0,0,0,0|1,0,0]=3 5677 B9R0.34 C=CC(=O)CC(=O)CCC 1458a_100000185746_100000747444 [0,2,0,0,0,0|1,0,1]=4 5678 B9R0.34 C=CC(=O)CC(C)CCC 1458a_100000185746_100011216630 [0,2,0,0,0,0|1,0,1]=4 5679 B9R0.34 C=CC(=O)NC(C)CCC 1626a_100000741246_100000185746 [0,2,0,0,0,0|1,0,1]=4 5680 B9R0.34 C=CC(=O)NC(C)CCC 240690a_100000741246_200121576911 [0,2,0,0,0,0|1,0,1]=4 5681 B9R0.34 C=CCC(=O)CC(=O)OC 1458a_100000210193_100000747449 [0,2,0,0,0,0|0,0,2]=4 5682 B9R0.34 C=CCC(=O)CC(=O)OC 1458a_100000211351_100000210623 [0,2,0,0,0,0|0,0,2]=4 5683 B9R0.34 C=CCC(=O)CC(C)CC 1458a_100000210193_100000748023 [0,2,0,0,0,0|1,0,1]=4 5684 B9R0.34 C=CCC(=O)CC(C)CC 1458a_100000708755_100000210623 [0,2,0,0,0,0|1,0,1]=4 5685 B9R0.34 C=CCC(=O)CC(O)CC 1458a_100000210193_100011218378 [0,2,0,0,0,0|1,0,1]=4 5686 B9R0.34 C=CCC(=O)CC(O)CC 1458a_100011667805_100000210623 [0,2,0,0,0,0|1,0,1]=4 5687 B9R0.34 C=CCC(=O)C[C@@H](C)CC 1458a_100000210193_100009816398 [0,2,0,0,0,0|1,0,1]=4 5688 B9R0.34 C=CCN(C)CC(=O)OC 2230a_100000198492_100000210623 [0,2,0,0,0,0|0,0,2]=4 5689 B9R0.34 C=CCN(C)CC(=O)OC 2230a_100000225617_100000747449 [0,2,0,0,0,0|0,0,2]=4 5690 B9R0.34 C=CCN(C)CC(=O)OC 269982a_100000225617_100000747449 [0,2,0,0,0,0|0,0,2]=4 5691 B9R0.34 C=COC(=O)CC(=O)CC 1458a_100000210414_100000036128 [0,2,0,0,0,0|0,0,2]=4 5692 B9R0.34 C=COC(=O)CN(C)CC 2230a_100000225621_100000036128 [0,2,0,0,0,0|1,0,1]=4 5693 B9R0.34 C=COC(=O)CN(C)CC 269982a_100000225621_100000036128 [0,2,0,0,0,0|1,0,1]=4 5694 B9R0.34 CC#CC(=O)CC(=O)CC 1458a_100000763181_100000747405 [0,2,0,0,0,0|1,0,1]=4 5695 B9R0.34 CC#CC(=O)CC(=O)OC 1458a_100000763181_100000747449 [0,2,0,0,0,0|0,0,2]=4 5696 B9R0.34 CC#CC(=O)CC(C)CC 1458a_100000763181_100000748023 [0,2,0,0,0,0|1,0,0]=3 5697 B9R0.34 CC#CC(=O)CC(O)CC 1458a_100000763181_100011218378 [0,2,0,0,0,0|1,0,0]=3 5698 B9R0.34 CC#CC(=O)C[C@@H](C)CC 1458a_100000763181_100009816398 [0,2,0,0,0,0|1,0,0]=3 5699 B9R0.34 CC#CC(=O)C[C@@H](C)CO 1458a_100000763181_100000059175 [0,2,0,0,0,0|2,0,0]=4 5700 B9R0.34 CC=CC(=O)CC(=O)CC 1458a_100000210699_100000747405 [0,2,0,0,0,0|1,0,1]=4 5701 B9R0.34 CC=CC(=O)CC(=O)OC 1458a_100000210699_100000747449 [0,2,0,0,0,0|0,0,2]=4 5702 B9R0.34 CC=CC(=O)CC(C)CC 1458a_100000210699_100000748023 [0,2,0,0,0,0|1,0,0]=3 5703 B9R0.34 CC=CC(=O)CC(O)CC 1458a_100000210699_100011218378 [0,2,0,0,0,0|1,0,0]=3 5704 B9R0.34 CC=CC(=O)C[C@@H](C)CC 1458a_100000210699_100009816398 [0,2,0,0,0,0|1,0,0]=3 5705 B9R0.34 CC=CC(=O)C[C@@H](C)CO 1458a_100000210699_100000059175 [0,2,0,0,0,0|2,0,0]=4 5706 B9R0.34 CC=CC(=O)NC(C)CC 11a_100000209981_100000210699 [0,2,0,0,0,0|2,0,0]=4 5707 B9R0.34 CC=CC(=O)NC(C)CC 1626a_100000209981_100000210699 [0,2,0,0,0,0|2,0,0]=4 5708 B9R0.34 CC=CC(=O)NC(C)CC 240690a_100000209981_100000210699 [0,2,0,0,0,0|2,0,0]=4 5709 B9R0.34 CCC(=O)CC(=O)CCO 1458a_100011216618_100000747405 [0,2,0,0,0,0|1,0,1]=4 5710 B9R0.34 CCC(=O)CC(=O)COC 1458a_100000210968_100000747405 [0,2,0,0,0,0|0,0,1]=3 5711 B9R0.34 CCC(=O)CC(=O)CSC 1458a_100000184570_100000747405 [0,2,0,0,0,0|0,1,1]=4 5712 B9R0.34 CCC(=O)CC(=O)NCO 1458a_100000210414_100000185155 [0,2,0,0,0,0|1,0,1]=4 5713 B9R0.34 CCC(=O)CN(C)CCO 269982a_100000210263_100000747405 [0,2,0,0,0,0|2,0,0]=4 5714 B9R0.34 CCC(=O)N[C@H](C)CCO 240690a_100000706166_100000210414 [0,2,0,0,0,0|2,0,0]=4 5715 B9R0.34 CCC(=O)N[C@H](C)CCO 527a_100000706166_100000210414 [0,2,0,0,0,0|2,0,0]=4 5716 B9R0.34 CCC(=O)N[C@H](C)COC 11a_100000764878_100000210414 [0,2,0,0,0,0|2,0,0]=4 5717 B9R0.34 CCC(=O)N[C@H](C)COC 1626a_100000764878_100000210414 [0,2,0,0,0,0|2,0,0]=4 5718 B9R0.34 CCC(=O)N[C@H](C)COC 240690a_100000764878_100000210414 [0,2,0,0,0,0|2,0,0]=4 5719 B9R0.34 CCC(=O)N[C@H](C)COC 527a_100000764878_100000210414 [0,2,0,0,0,0|2,0,0]=4 5720 B9R0.34 CCC(C)CC(=O)C=CBr 1458a_100016273825_100000748023 [0,2,0,0,0,0|1,0,1]=4 5721 B9R0.34 CCC(C)CC(=O)C=CCl 1458a_200016279998_100000748023 [0,2,0,0,0,0|1,0,1]=4 5722 B9R0.34 CCC(C)CC(=O)C=CI 1458a_100016256311_100000748023 [0,2,0,0,0,0|1,0,1]=4 5723 B9R0.34 CCC(C)CC(=O)CC#N 1458a_100000708755_100011214920 [0,2,0,0,0,0|1,0,1]=4 5724 B9R0.34 CCC(C)CC(=O)CC#N 1458a_100051588842_100000748023 [0,2,0,0,0,0|1,0,1]=4 5725 B9R0.34 CCC(C)CC(=O)CCF 1458a_100000708755_100011217306 [0,2,0,0,0,0|1,0,0]=3 5726 B9R0.34 CCC(C)CC(=O)CCO 1458a_100000708755_100000211926 [0,2,0,0,0,0|1,0,0]=3 5727 B9R0.34 CCC(C)CC(=O)CCO 1458a_100011216618_100000748023 [0,2,0,0,0,0|1,0,0]=3 5728 B9R0.34 CCC(C)CC(=O)COC 1458a_100000210968_100000748023 [0,2,0,0,0,0|0,0,0]=2 5729 B9R0.34 CCC(C)CC(=O)CSC 1458a_100000184570_100000748023 [0,2,0,0,0,0|0,1,0]=3 5730 B9R0.34 CCC(C)CC(=O)NNC 22a_100016993582_100000708755 [0,2,0,0,0,0|1,0,0]=3 5731 B9R0.34 CCC(C)CN(C)COC 2230a_100000753921_100000766300 [0,2,0,0,0,0|2,0,0]=4 5732 B9R0.34 CCC(C)CN(C)COC 269982a_100000753921_100000766300 [0,2,0,0,0,0|2,0,0]=4 5733 B9R0.34 CCC(C)NC(=O)CCO 240690a_100000209981_100011216618 [0,2,0,0,0,0|2,0,0]=4 5734 B9R0.34 CCC(C)NC(=O)CNC 2230a_106832991635_100000182745 [0,2,0,0,0,0|2,0,0]=4 5735 B9R0.34 CCC(C)NC(=O)CNC 34a_100102657272_100000182745 [0,2,0,0,0,0|2,0,0]=4 5736 B9R0.34 CCC(C)NC(=O)CNC 7a_106832991635_100000182745 [0,2,0,0,0,0|2,0,0]=4 5737 B9R0.34 CCC(C)NC(=O)COC 11a_100000209981_100000210968 [0,2,0,0,0,0|1,0,0]=3 5738 B9R0.34 CCC(C)NC(=O)COC 1626a_100000209981_100000210968 [0,2,0,0,0,0|1,0,0]=3 5739 B9R0.34 CCC(C)NC(=O)COC 240690a_100000209981_100000210968 [0,2,0,0,0,0|1,0,0]=3 5740 B9R0.34 CCC(C)NC(=O)COC 34a_100138415774_100000182745 [0,2,0,0,0,0|1,0,0]=3 5741 B9R0.34 CCC(C)NC(=O)COC 527a_100000209981_100000210968 [0,2,0,0,0,0|1,0,0]=3 5742 B9R0.34 CCC(C)NC(=O)CSC 11a_100000209981_100000184570 [0,2,0,0,0,0|1,1,0]=4 5743 B9R0.34 CCC(C)NC(=O)CSC 1626a_100000209981_100000184570 [0,2,0,0,0,0|1,1,0]=4 5744 B9R0.34 CCC(C)NC(=O)CSC 240690a_100000209981_100000184570 [0,2,0,0,0,0|1,1,0]=4 5745 B9R0.34 CCC(C)NC(=O)CSC 527a_100000209981_100000184570 [0,2,0,0,0,0|1,1,0]=4 5746 B9R0.34 CCC(C)NC(=O)CSC 62a_100000182745_200000210301 [0,2,0,0,0,0|1,1,0]=4 5747 B9R0.34 CCC(C)NC(=O)CSC 62a_200000210301_100000182745 [0,2,0,0,0,0|1,1,0]=4 5748 B9R0.34 CCC(C)NC(=O)CS[13CH3] 62a_100000182745_200025704644 [0,2,0,0,0,0|1,1,0]=4 5749 B9R0.34 CCC(C)NC(=O)CS[13CH3] 62a_200025704644_100000182745 [0,2,0,0,0,0|1,1,0]=4 5750 B9R0.34 CCC(C)NC(=O)NNC 273464a_100000209981_100016993582 [0,2,0,0,0,0|2,0,0]=4 5751 B9R0.34 CCC(C)NC(=O)NNC 512a_100000209981_100016993582 [0,2,0,0,0,0|2,0,0]=4 5752 B9R0.34 CCC(C)NC(=O)NNC 512a_100016993582_100000209981 [0,2,0,0,0,0|2,0,0]=4 5753 B9R0.34 CCC(O)CC(=O)C=CBr 1458a_100016273825_100011218378 [0,2,0,0,0,0|1,0,1]=4 5754 B9R0.34 CCC(O)CC(=O)C=CCl 1458a_200016279998_100011218378 [0,2,0,0,0,0|1,0,1]=4 5755 B9R0.34 CCC(O)CC(=O)C=CI 1458a_100016256311_100011218378 [0,2,0,0,0,0|1,0,1]=4 5756 B9R0.34 CCC(O)CC(=O)CC#N 1458a_100011667805_100011214920 [0,2,0,0,0,0|1,0,1]=4 5757 B9R0.34 CCC(O)CC(=O)CC#N 1458a_100051588842_100011218378 [0,2,0,0,0,0|1,0,1]=4 5758 B9R0.34 CCC(O)CC(=O)CCF 1458a_100011667805_100011217306 [0,2,0,0,0,0|1,0,0]=3 5759 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011216618_100011218378 [0,2,0,0,0,0|1,0,0]=3 5760 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011667805_100000211926 [0,2,0,0,0,0|1,0,0]=3 5761 B9R0.34 CCC(O)CC(=O)COC 1458a_100000210968_100011218378 [0,2,0,0,0,0|0,0,0]=2 5762 B9R0.34 CCC(O)CC(=O)CSC 1458a_100000184570_100011218378 [0,2,0,0,0,0|0,1,0]=3 5763 B9R0.34 CCC(O)CC(=O)NNC 22a_100016993582_100011667805 [0,2,0,0,0,0|1,0,0]=3 5764 B9R0.34 CCCC(=CC(=O)CC)C 1458a_100020676950_100000210202 [0,2,0,0,0,0|1,0,1]=4 5765 B9R0.34 CCCC(=CC(=O)NC)C 11a_106832991635_100020676950 [0,2,0,0,0,0|1,0,1]=4 5766 B9R0.34 CCCC(=CC(=O)NC)C 1626a_100102657272_100020676950 [0,2,0,0,0,0|1,0,1]=4 5767 B9R0.34 CCCC(=CC(=O)NC)C 240690a_100102657272_100020676950 [0,2,0,0,0,0|1,0,1]=4 5768 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000210414_100000747444 [0,2,0,0,0,0|1,0,0]=3 5769 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000211992_100000747405 [0,2,0,0,0,0|1,0,0]=3 5770 B9R0.34 CCCC(=O)CC(=O)CO 1458a_100000210174_100000747444 [0,2,0,0,0,0|2,0,0]=4 5771 B9R0.34 CCCC(=O)CC(=O)NC 1458a_100000211992_100000183359 [0,2,0,0,0,0|1,0,0]=3 5772 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211351_100000210303 [0,2,0,0,0,0|0,0,0]=2 5773 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211992_100000747449 [0,2,0,0,0,0|0,0,0]=2 5774 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000211992_100000748023 [0,2,0,0,0,0|1,0,0]=3 5775 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000708755_100000210303 [0,2,0,0,0,0|1,0,0]=3 5776 B9R0.34 CCCC(=O)CC(O)CC 1458a_100000211992_100011218378 [0,2,0,0,0,0|1,0,0]=3 5777 B9R0.34 CCCC(=O)CC(O)CC 1458a_100011667805_100000210303 [0,2,0,0,0,0|1,0,0]=3 5778 B9R0.34 CCCC(=O)CN(C)CC 1458a_100116209913_100000210303 [0,2,0,0,0,0|2,0,0]=4 5779 B9R0.34 CCCC(=O)CN(C)CC 2230a_100000225621_100000747444 [0,2,0,0,0,0|2,0,0]=4 5780 B9R0.34 CCCC(=O)CN(C)CC 269982a_100000225621_100000747444 [0,2,0,0,0,0|2,0,0]=4 5781 B9R0.34 CCCC(=O)C[C@@H](C)CC 1458a_100000211992_100009816398 [0,2,0,0,0,0|1,0,0]=3 5782 B9R0.34 CCCC(=O)C[C@@H](C)CO 1458a_100000211992_100000059175 [0,2,0,0,0,0|2,0,0]=4 5783 B9R0.34 CCCC(=O)NC(C)CC 11a_100000209981_100000211992 [0,2,0,0,0,0|2,0,0]=4 5784 B9R0.34 CCCC(=O)NC(C)CC 1626a_100000209981_100000211992 [0,2,0,0,0,0|2,0,0]=4 5785 B9R0.34 CCCC(=O)NC(C)CC 240690a_100000209981_100000211992 [0,2,0,0,0,0|2,0,0]=4 5786 B9R0.34 CCCC(=O)NC(C)CC 527a_100000209981_100000211992 [0,2,0,0,0,0|2,0,0]=4 5787 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000210414_100011216630 [0,2,0,0,0,0|1,0,0]=3 5788 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000748435_100000210202 [0,2,0,0,0,0|1,0,0]=3 5789 B9R0.34 CCCC(C)CC(=O)CF 1458a_100000748435_100015361967 [0,2,0,0,0,0|2,0,0]=4 5790 B9R0.34 CCCC(C)CC(=O)CO 1458a_100000210174_100011216630 [0,2,0,0,0,0|2,0,0]=4 5791 B9R0.34 CCCC(C)CC(=O)NC 11a_106832991635_100000748435 [0,2,0,0,0,0|1,0,0]=3 5792 B9R0.34 CCCC(C)CC(=O)NC 1626a_100102657272_100000748435 [0,2,0,0,0,0|1,0,0]=3 5793 B9R0.34 CCCC(C)CC(=O)NC 240690a_100102657272_100000748435 [0,2,0,0,0,0|1,0,0]=3 5794 B9R0.34 CCCC(C)CC(=O)NC 527a_100102657272_100000748435 [0,2,0,0,0,0|1,0,0]=3 5795 B9R0.34 CCCC(C)NC(=O)CC 11a_100000741246_100000210414 [0,2,0,0,0,0|1,0,0]=3 5796 B9R0.34 CCCC(C)NC(=O)CC 1626a_100000741246_100000210414 [0,2,0,0,0,0|1,0,0]=3 5797 B9R0.34 CCCC(C)NC(=O)CC 240690a_100000741246_100000210414 [0,2,0,0,0,0|1,0,0]=3 5798 B9R0.34 CCCC(C)NC(=O)CC 527a_100000741246_100000210414 [0,2,0,0,0,0|1,0,0]=3 5799 B9R0.34 CCCC(C)NC(=O)CO 240690a_100000741246_100000210174 [0,2,0,0,0,0|2,0,0]=4 5800 B9R0.34 CCCC(C)NC(=O)CO 527a_100000741246_100000210174 [0,2,0,0,0,0|2,0,0]=4 5801 B9R0.34 CCCC(C)NC(=O)NC 2708a_100000741246_106832991635 [0,2,0,0,0,0|1,0,0]=3 5802 B9R0.34 CCCC(C)NC(=O)NC 2708a_100102657272_100000741246 [0,2,0,0,0,0|1,0,0]=3 5803 B9R0.34 CCCC(C)NC(=O)NC 273464a_100000741246_100102657272 [0,2,0,0,0,0|1,0,0]=3 5804 B9R0.34 CCCC(C)NC(=O)NC 512a_100000741246_100102657272 [0,2,0,0,0,0|1,0,0]=3 5805 B9R0.34 CCCC(C)NC(=O)NC 512a_106832991638_100000741246 [0,2,0,0,0,0|1,0,0]=3 5806 B9R0.34 CCCC(C)SC(C)OC 62a_100000766640_100009879195 [0,2,0,0,0,0|1,0,1]=4 5807 B9R0.34 CCCC(C)SC(C)OC 62a_100009879195_100000766640 [0,2,0,0,0,0|1,0,1]=4 5808 B9R0.34 CCCN(C)CC(=O)CC 269982a_100000747261_100000747405 [0,2,0,0,0,0|1,0,0]=3 5809 B9R0.34 CCCN(C)CC(=O)NC 2230a_100000189611_100000210303 [0,2,0,0,0,0|1,0,0]=3 5810 B9R0.34 CCCN(C)CC(=O)NC 2230a_100000747261_100000183359 [0,2,0,0,0,0|1,0,0]=3 5811 B9R0.34 CCCN(C)CC(=O)NC 269982a_100000747261_100000183359 [0,2,0,0,0,0|1,0,0]=3 5812 B9R0.34 CCCN(C)CC(=O)OC 2230a_100000198492_100000210303 [0,2,0,0,0,0|0,0,0]=2 5813 B9R0.34 CCCN(C)CC(=O)OC 2230a_100000747261_100000747449 [0,2,0,0,0,0|0,0,0]=2 5814 B9R0.34 CCCN(C)CC(=O)OC 269982a_100000747261_100000747449 [0,2,0,0,0,0|0,0,0]=2 5815 B9R0.34 CCCS(=O)CC(=O)CC 1458a_100011387404_100000210202 [0,2,0,0,0,0|1,0,0]=3 5816 B9R0.34 CCCS(=O)CC(=O)CF 1458a_100011387404_100015361967 [0,2,0,0,0,0|2,0,0]=4 5817 B9R0.34 CCCS(=O)CC(=O)NC 11a_106832991635_100011387404 [0,2,0,0,0,0|1,0,0]=3 5818 B9R0.34 CCCS(=O)CC(=O)NC 1626a_100102657272_100011387404 [0,2,0,0,0,0|1,0,0]=3 5819 B9R0.34 CCCS(=O)CC(=O)NC 240690a_100102657272_100011387404 [0,2,0,0,0,0|1,0,0]=3 5820 B9R0.34 CCCS(=O)CC(=O)NC 527a_100102657272_100011387404 [0,2,0,0,0,0|1,0,0]=3 5821 B9R0.34 CCN(C)CC(=O)CCF 1458a_100116209913_100011217306 [0,2,0,0,0,0|2,0,0]=4 5822 B9R0.34 CCN(C)CC(=O)CCO 1458a_100116209913_100000211926 [0,2,0,0,0,0|2,0,0]=4 5823 B9R0.34 CCN(C)CC(=O)NCO 2230a_100000225621_100000185155 [0,2,0,0,0,0|2,0,0]=4 5824 B9R0.34 CCN(C)CC(=O)NCO 269982a_100000225621_100000185155 [0,2,0,0,0,0|2,0,0]=4 5825 B9R0.34 CCN(C)CC(=O)NNC 22a_100016993582_100116209913 [0,2,0,0,0,0|2,0,0]=4 5826 B9R0.34 CCNC(=O)CC(=O)CC 1458a_100000210414_100000183381 [0,2,0,0,0,0|1,0,1]=4 5827 B9R0.34 CCNC(=O)CC(=O)OC 240690a_100015525214_100000211351 [0,2,0,0,0,0|0,0,1]=3 5828 B9R0.34 CCNC(=O)CC(C)CC 11a_100015525214_100000708755 [0,2,0,0,0,0|1,0,0]=3 5829 B9R0.34 CCNC(=O)CC(C)CC 240690a_100015525214_100000708755 [0,2,0,0,0,0|1,0,0]=3 5830 B9R0.34 CCNC(=O)CC(C)CC 527a_100015525214_100000708755 [0,2,0,0,0,0|1,0,0]=3 5831 B9R0.34 CCNC(=O)CC(O)CC 240690a_100015525214_100011667805 [0,2,0,0,0,0|1,0,0]=3 5832 B9R0.34 CCNC(=O)CN(C)CC 2230a_100000225621_100000183381 [0,2,0,0,0,0|2,0,0]=4 5833 B9R0.34 CCNC(=O)CN(C)CC 2230a_100000741943_100000210202 [0,2,0,0,0,0|2,0,0]=4 5834 B9R0.34 CCNC(=O)CN(C)CC 240690a_100015525214_100116209913 [0,2,0,0,0,0|2,0,0]=4 5835 B9R0.34 CCNC(=O)CN(C)CC 269982a_100000225621_100000183381 [0,2,0,0,0,0|2,0,0]=4 5836 B9R0.34 CCNC(=O)CN(C)CC 269982a_100000741943_100000204670 [0,2,0,0,0,0|2,0,0]=4 5837 B9R0.34 CCNC(=O)CN(C)CC 527a_100015525214_100116209913 [0,2,0,0,0,0|2,0,0]=4 5838 B9R0.34 CCNC(=O)NC(C)CC 2708a_100000209981_100015525214 [0,2,0,0,0,0|2,0,0]=4 5839 B9R0.34 CCNC(=O)NC(C)CC 2708a_100015525214_100000209981 [0,2,0,0,0,0|2,0,0]=4 5840 B9R0.34 CCNC(=O)NC(C)CC 273464a_100000209981_100015525214 [0,2,0,0,0,0|2,0,0]=4 5841 B9R0.34 CCNC(=O)NC(C)CC 273464a_100015525214_100000209981 [0,2,0,0,0,0|2,0,0]=4 5842 B9R0.34 CCNC(=O)NC(C)CC 512a_100000209981_100015525214 [0,2,0,0,0,0|2,0,0]=4 5843 B9R0.34 CCNC(=O)NC(C)CC 512a_100015525214_100000209981 [0,2,0,0,0,0|2,0,0]=4 5844 B9R0.34 CCNC(C)CC(=O)OC 2230a_100015525214_100009817358 [0,2,0,0,0,0|0,0,0]=2 5845 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000210414_100000188475 [0,2,0,0,0,0|0,0,1]=3 5846 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000243816_100000210202 [0,2,0,0,0,0|0,0,1]=3 5847 B9R0.34 CCOC(=O)CC(=O)CF 1458a_100000243816_100015361967 [0,2,0,0,0,0|1,0,1]=4 5848 B9R0.34 CCOC(=O)CC(=O)CO 1458a_100000210174_100000188475 [0,2,0,0,0,0|1,0,1]=4 5849 B9R0.34 CCOC(=O)CC(=O)NC 240690a_100102657272_100000243816 [0,2,0,0,0,0|1,0,1]=4 5850 B9R0.34 CCOC(=O)CC(C)NC 2230a_106832991635_100009817359 [0,2,0,0,0,0|1,0,0]=3 5851 B9R0.34 CCOC(=O)CC(C)NC 7a_106832991635_100009817359 [0,2,0,0,0,0|1,0,0]=3 5852 B9R0.34 CCOC(=O)CC(C)SC 62a_100009817359_200000210301 [0,2,0,0,0,0|1,0,0]=3 5853 B9R0.34 CCOC(=O)CC(C)SC 62a_200000210301_100009817359 [0,2,0,0,0,0|1,0,0]=3 5854 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_100009817359_200025704644 [0,2,0,0,0,0|1,0,0]=3 5855 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_200025704644_100009817359 [0,2,0,0,0,0|1,0,0]=3 5856 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220588_100000210202 [0,2,0,0,0,0|1,0,0]=3 5857 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220607_200000210301 [0,2,0,0,0,0|1,0,0]=3 5858 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000225621_100000188475 [0,2,0,0,0,0|1,0,0]=3 5859 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000220607_200000210301 [0,2,0,0,0,0|1,0,0]=3 5860 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000225621_100000188475 [0,2,0,0,0,0|1,0,0]=3 5861 B9R0.34 CCOC(=O)CN([13CH3])CC 2230a_100000220607_200025704644 [0,2,0,0,0,0|1,0,0]=3 5862 B9R0.34 CCOC(=O)CN([13CH3])CC 269982a_100000220607_200025704644 [0,2,0,0,0,0|1,0,0]=3 5863 B9R0.34 CCOC(=O)C[C@@H](C)OC 7a_100009816390_200000210301 [0,2,0,0,0,0|1,0,0]=3 5864 B9R0.34 CCOC(=O)C[C@@H](C)O[13CH3] 7a_100009816390_200025704644 [0,2,0,0,0,0|1,0,0]=3 5865 B9R0.34 CCOC(=O)OC(C)SC 62a_100000036008_200000210301 [0,2,0,0,0,0|2,0,0]=4 5866 B9R0.34 CCOC(=O)OC(C)SC 62a_200000210301_100000036008 [0,2,0,0,0,0|2,0,0]=4 5867 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_100000036008_200025704644 [0,2,0,0,0,0|2,0,0]=4 5868 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_200025704644_100000036008 [0,2,0,0,0,0|2,0,0]=4 5869 B9R0.34 CCOC(C)CC(=O)OC 34a_100121572206_100009817358 [0,2,0,0,0,0|0,0,0]=2 5870 B9R0.34 CCSC(C)CC(=O)CC 1458a_200011311441_100000210202 [0,2,0,0,0,0|1,0,0]=3 5871 B9R0.34 CCSC(C)CC(=O)CF 1458a_200011311441_100015361967 [0,2,0,0,0,0|2,0,0]=4 5872 B9R0.34 CCSC(C)CC(=O)NC 11a_106832991635_200011311441 [0,2,0,0,0,0|1,0,0]=3 5873 B9R0.34 CCSC(C)CC(=O)NC 1626a_100102657272_200011311441 [0,2,0,0,0,0|1,0,0]=3 5874 B9R0.34 CCSC(C)CC(=O)NC 240690a_100102657272_200011311441 [0,2,0,0,0,0|1,0,0]=3 5875 B9R0.34 CCSC(C)CC(=O)NC 527a_100102657272_200011311441 [0,2,0,0,0,0|1,0,0]=3 5876 B9R0.34 CCSC(C)CC(=O)OC 62a_100000210202_100009817358 [0,2,0,0,0,0|0,0,0]=2 5877 B9R0.34 CCSC(C)CC(=O)OC 62a_100009817358_100000210202 [0,2,0,0,0,0|0,0,0]=2 5878 B9R0.34 CC[C@H](C)CC(=O)C=CBr 1458a_100016273825_100009816398 [0,2,0,0,0,0|1,0,1]=4 5879 B9R0.34 CC[C@H](C)CC(=O)C=CCl 1458a_200016279998_100009816398 [0,2,0,0,0,0|1,0,1]=4 5880 B9R0.34 CC[C@H](C)CC(=O)C=CI 1458a_100016256311_100009816398 [0,2,0,0,0,0|1,0,1]=4 5881 B9R0.34 CC[C@H](C)CC(=O)CC#N 1458a_100051588842_100009816398 [0,2,0,0,0,0|1,0,1]=4 5882 B9R0.34 CC[C@H](C)CC(=O)CCO 1458a_100011216618_100009816398 [0,2,0,0,0,0|1,0,0]=3 5883 B9R0.34 CC[C@H](C)CC(=O)COC 1458a_100000210968_100009816398 [0,2,0,0,0,0|0,0,0]=2 5884 B9R0.34 CC[C@H](C)CC(=O)CSC 1458a_100000184570_100009816398 [0,2,0,0,0,0|0,1,0]=3 5885 B9R0.34 CNC(=O)CC(=O)CCO 1458a_100011216618_100000183359 [0,2,0,0,0,0|1,0,1]=4 5886 B9R0.34 CNC(=O)CC(=O)COC 1458a_100000210968_100000183359 [0,2,0,0,0,0|1,0,1]=4 5887 B9R0.34 CNC(=O)CC(=O)CSC 1458a_100000184570_100000183359 [0,2,0,0,0,0|1,0,1]=4 5888 B9R0.34 CNC(=O)CN(C)CCF 2230a_100000189611_100011217306 [0,2,0,0,0,0|2,0,0]=4 5889 B9R0.34 CNC(=O)CN(C)CCO 2230a_100000189611_100000211926 [0,2,0,0,0,0|2,0,0]=4 5890 B9R0.34 CNC(=O)CN(C)CCO 2230a_100000210263_100000183359 [0,2,0,0,0,0|2,0,0]=4 5891 B9R0.34 CNC(=O)CN(C)CCO 269982a_100000210263_100000183359 [0,2,0,0,0,0|2,0,0]=4 5892 B9R0.34 CNC(=O)CN(C)COC 2230a_100000189611_100000766300 [0,2,0,0,0,0|2,0,0]=4 5893 B9R0.34 CNC(=O)CN(C)CSC 2230a_100000189611_100011218213 [0,2,0,0,0,0|2,0,0]=4 5894 B9R0.34 CNC(=O)N[C@H](C)CCO 2708a_100102657272_100000706166 [0,2,0,0,0,0|2,0,0]=4 5895 B9R0.34 CNC(=O)N[C@H](C)CCO 273464a_100000706166_100102657272 [0,2,0,0,0,0|2,0,0]=4 5896 B9R0.34 CNC(=O)N[C@H](C)CCO 512a_100000706166_100102657272 [0,2,0,0,0,0|2,0,0]=4 5897 B9R0.34 CNC(=O)N[C@H](C)CCO 512a_106832991638_100000706166 [0,2,0,0,0,0|2,0,0]=4 5898 B9R0.34 CNC(=O)N[C@H](C)COC 2708a_100000764878_106832991635 [0,2,0,0,0,0|2,0,0]=4 5899 B9R0.34 CNC(=O)N[C@H](C)COC 2708a_100102657272_100000764878 [0,2,0,0,0,0|2,0,0]=4 5900 B9R0.34 CNC(=O)N[C@H](C)COC 273464a_100000764878_100102657272 [0,2,0,0,0,0|2,0,0]=4 5901 B9R0.34 CNC(=O)N[C@H](C)COC 273464a_100102657272_100000764878 [0,2,0,0,0,0|2,0,0]=4 5902 B9R0.34 CNC(=O)N[C@H](C)COC 512a_100000764878_100102657272 [0,2,0,0,0,0|2,0,0]=4 5903 B9R0.34 CNC(=O)N[C@H](C)COC 512a_106832991638_100000764878 [0,2,0,0,0,0|2,0,0]=4 5904 B9R0.34 CNC[C@H](O)CC(=O)OC 34a_100102657272_100000754131 [0,2,0,0,0,0|0,0,0]=2 5905 B9R0.34 CNC[C@H](O)CC(=O)OC 7a_106832991635_100000754131 [0,2,0,0,0,0|0,0,0]=2 5906 B9R0.34 CNNC(=O)CC(=O)OC 22a_100016993582_100000211351 [0,2,0,0,0,0|1,0,1]=4 5907 B9R0.34 COC(=O)CC(=O)CC#N 1458a_100000211351_100011214920 [0,2,0,0,0,0|0,0,2]=4 5908 B9R0.34 COC(=O)CC(=O)CC#N 1458a_100051588842_100000747449 [0,2,0,0,0,0|0,0,2]=4 5909 B9R0.34 COC(=O)CC(=O)CCF 1458a_100000211351_100011217306 [0,2,0,0,0,0|0,0,1]=3 5910 B9R0.34 COC(=O)CC(=O)CCO 1458a_100000211351_100000211926 [0,2,0,0,0,0|0,0,1]=3 5911 B9R0.34 COC(=O)CC(=O)CCO 1458a_100011216618_100000747449 [0,2,0,0,0,0|0,0,1]=3 5912 B9R0.34 COC(=O)CC(=O)CSC 1458a_100000184570_100000747449 [0,2,0,0,0,0|0,0,1]=3 5913 B9R0.34 COC(=O)CC(=O)CSC 62a_100000210525_200000210301 [0,2,0,0,0,0|0,0,1]=3 5914 B9R0.34 COC(=O)CC(=O)CSC 62a_200000210301_100000210525 [0,2,0,0,0,0|0,0,1]=3 5915 B9R0.34 COC(=O)CC(=O)CS[13CH3] 62a_100000210525_200025704644 [0,2,0,0,0,0|0,0,1]=3 5916 B9R0.34 COC(=O)CC(=O)CS[13CH3] 62a_200025704644_100000210525 [0,2,0,0,0,0|0,0,1]=3 5917 B9R0.34 COC(=O)CC(C)SCF 62a_100009817358_100015361967 [0,2,0,0,0,0|1,0,0]=3 5918 B9R0.34 COC(=O)CC(C)SCF 62a_100015361967_100009817358 [0,2,0,0,0,0|1,0,0]=3 5919 B9R0.34 COC(=O)CN(C)CC#N 2230a_100000198492_100011215382 [0,2,0,0,0,0|1,0,1]=4 5920 B9R0.34 COC(=O)CN(C)CC#N 2230a_100000748184_100000747449 [0,2,0,0,0,0|1,0,1]=4 5921 B9R0.34 COC(=O)CN(C)CC=O 2230a_100000198492_200015260668 [0,2,0,0,0,0|1,0,1]=4 5922 B9R0.34 COC(=O)CN(C)CCF 2230a_100000198492_100011217306 [0,2,0,0,0,0|1,0,0]=3 5923 B9R0.34 COC(=O)CN(C)CCO 2230a_100000198492_100000211926 [0,2,0,0,0,0|1,0,0]=3 5924 B9R0.34 COC(=O)CN(C)CCO 2230a_100000210263_100000747449 [0,2,0,0,0,0|1,0,0]=3 5925 B9R0.34 COC(=O)CN(C)CCO 269982a_100000210263_100000747449 [0,2,0,0,0,0|1,0,0]=3 5926 B9R0.34 COC(=O)CN(C)CSC 2230a_100000198492_100011218213 [0,2,0,0,0,0|1,0,0]=3 5927 B9R0.34 COC(=O)C[C@@H](O)CSC 62a_100000754131_200000210301 [0,2,0,0,0,0|0,0,0]=2 5928 B9R0.34 COC(=O)C[C@@H](O)CSC 62a_200000210301_100000754131 [0,2,0,0,0,0|0,0,0]=2 5929 B9R0.34 COC(=O)C[C@@H](O)CS[13CH3] 62a_100000754131_200025704644 [0,2,0,0,0,0|0,0,0]=2 5930 B9R0.34 COC(=O)C[C@@H](O)CS[13CH3] 62a_200025704644_100000754131 [0,2,0,0,0,0|0,0,0]=2 5931 B9R0.34 COC(=O)NC(=O)CSC 62a_200000210301_100000010850 [0,2,0,0,0,0|1,0,1]=4 5932 B9R0.34 COC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000010850 [0,2,0,0,0,0|1,0,1]=4 5933 B9R0.34 COCC(=O)CC(=O)OC 1458a_100000210968_100000747449 [0,2,0,0,0,0|0,0,1]=3 5934 B9R0.34 COCC(=O)C[C@@H](C)CO 1458a_100000210968_100000059175 [0,2,0,0,0,0|1,0,0]=3 5935 B9R0.34 COCC(=O)N[C@H](C)CF 11a_100102880703_100000210968 [0,2,0,0,0,0|2,0,0]=4 5936 B9R0.34 COCC(=O)N[C@H](C)CF 1626a_100102880703_100000210968 [0,2,0,0,0,0|2,0,0]=4 5937 B9R0.34 COCC(=O)N[C@H](C)CF 240690a_100102880703_100000210968 [0,2,0,0,0,0|2,0,0]=4 5938 B9R0.34 COCC(=O)N[C@H](C)CF 527a_100102880703_100000210968 [0,2,0,0,0,0|2,0,0]=4 5939 B9R0.34 COCC(=O)N[C@H](C)CO 240690a_100000737577_100000210968 [0,2,0,0,0,0|2,0,0]=4 5940 B9R0.34 COCC(=O)N[C@H](C)CO 527a_100000737577_100000210968 [0,2,0,0,0,0|2,0,0]=4 5941 B9R0.34 COCN(C)CC(=O)OC 2230a_100000198492_100000766300 [0,2,0,0,0,0|1,0,0]=3 5942 B9R0.34 COC[C@H](O)CC(=O)OC 34a_100138415774_100000754131 [0,2,0,0,0,0|0,0,0]=2 5943 B9R0.34 CSCC(=O)C[C@@H](C)CO 1458a_100000184570_100000059175 [0,2,0,0,0,0|1,1,0]=4 5944 B9R0.34 C[C@@H](CO)CC(=O)CCO 1458a_100011216618_100000059175 [0,2,0,0,0,0|2,0,0]=4 5945 B9R0.35 C#CCC(=O)C(C)CCC 1458a_100000210906_100000184674 [0,2,0,0,0,0|1,0,1]=4 5946 B9R0.35 C#CCC(=O)C(C)CCC 1458a_100011220946_100000766640 [0,2,0,0,0,0|1,0,1]=4 5947 B9R0.35 C#CCC(=O)[C@@H](O)CCC 1458a_100009822183_100000184674 [0,2,0,0,0,0|1,0,1]=4 5948 B9R0.35 C=C(CNC)C(=O)OCC 34a_100102657272_100000755967 [0,2,0,0,0,0|1,0,1]=4 5949 B9R0.35 C=C(CNC)C(=O)OCC 7a_106832991635_100000755967 [0,2,0,0,0,0|1,0,1]=4 5950 B9R0.35 C=C(COC)C(=O)OCC 34a_100138415774_100000755967 [0,2,0,0,0,0|1,0,1]=4 5951 B9R0.35 C=C(CSC)C(=O)OCC 62a_100000755967_200000210301 [0,2,0,0,0,0|1,0,1]=4 5952 B9R0.35 C=C(CSC)C(=O)OCC 62a_200000210301_100000755967 [0,2,0,0,0,0|1,0,1]=4 5953 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_100000755967_200025704644 [0,2,0,0,0,0|1,0,1]=4 5954 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_200025704644_100000755967 [0,2,0,0,0,0|1,0,1]=4 5955 B9R0.35 C=CCC(=O)C(C)CCC 1458a_100000210193_100000766640 [0,2,0,0,0,0|1,0,1]=4 5956 B9R0.35 C=CCC(=O)C(C)CCC 1458a_100000210906_100000210623 [0,2,0,0,0,0|1,0,1]=4 5957 B9R0.35 C=CCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210623 [0,2,0,0,0,0|1,0,1]=4 5958 B9R0.35 CC#CC(=O)C(C)CCC 1458a_100000763181_100000766640 [0,2,0,0,0,0|1,0,0]=3 5959 B9R0.35 CC#CC(=O)C(C)CCO 1458a_100000763181_100009893172 [0,2,0,0,0,0|2,0,0]=4 5960 B9R0.35 CC#CC(=O)C(C)COC 1458a_100000763181_100000765312 [0,2,0,0,0,0|2,0,0]=4 5961 B9R0.35 CC(CCO)C(=O)CCO 1458a_100011216618_100009893172 [0,2,0,0,0,0|2,0,0]=4 5962 B9R0.35 CC=CC(=O)C(C)CCC 1458a_100000210699_100000766640 [0,2,0,0,0,0|1,0,0]=3 5963 B9R0.35 CC=CC(=O)C(C)CCO 1458a_100000210699_100009893172 [0,2,0,0,0,0|2,0,0]=4 5964 B9R0.35 CC=CC(=O)C(C)COC 1458a_100000210699_100000765312 [0,2,0,0,0,0|2,0,0]=4 5965 B9R0.35 CC=CC(=O)N(C)CCC 11a_100000747261_100000210699 [0,2,0,0,0,0|2,0,0]=4 5966 B9R0.35 CC=CC(=O)N(C)CCC 1626a_100000747261_100000210699 [0,2,0,0,0,0|2,0,0]=4 5967 B9R0.35 CC=CC(=O)N(C)CCC 240690a_100000747261_100000210699 [0,2,0,0,0,0|2,0,0]=4 5968 B9R0.35 CCCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210303 [0,2,0,0,0,0|1,0,1]=4 5969 B9R0.35 CCCC(=O)C(=O)NCC 1458a_200011297158_100000210303 [0,2,0,0,0,0|1,0,1]=4 5970 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000210906_100000210303 [0,2,0,0,0,0|1,0,0]=3 5971 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000211992_100000766640 [0,2,0,0,0,0|1,0,0]=3 5972 B9R0.35 CCCC(=O)C(C)CCO 1458a_100000211992_100009893172 [0,2,0,0,0,0|2,0,0]=4 5973 B9R0.35 CCCC(=O)C(C)COC 1458a_100000211992_100000765312 [0,2,0,0,0,0|2,0,0]=4 5974 B9R0.35 CCCC(=O)C(C)COC 1458a_100000751857_100000210303 [0,2,0,0,0,0|2,0,0]=4 5975 B9R0.35 CCCC(=O)C(C)CSC 1458a_100000753918_100000210303 [0,2,0,0,0,0|2,0,0]=4 5976 B9R0.35 CCCC(=O)C(C)OCC 1458a_100000739345_100000210303 [0,2,0,0,0,0|2,0,0]=4 5977 B9R0.35 CCCC(=O)C(C)SCC 1458a_100000230601_100000210303 [0,2,0,0,0,0|2,0,0]=4 5978 B9R0.35 CCCC(=O)N(C)CCC 11a_100000747261_100000211992 [0,2,0,0,0,0|2,0,0]=4 5979 B9R0.35 CCCC(=O)N(C)CCC 1626a_100000747261_100000211992 [0,2,0,0,0,0|2,0,0]=4 5980 B9R0.35 CCCC(=O)N(C)CCC 240690a_100000747261_100000211992 [0,2,0,0,0,0|2,0,0]=4 5981 B9R0.35 CCCC(=O)N(C)CCC 527a_100000747261_100000211992 [0,2,0,0,0,0|2,0,0]=4 5982 B9R0.35 CCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210303 [0,2,0,0,0,0|1,0,0]=3 5983 B9R0.35 CCCC(C)C(=O)C=CBr 1458a_100016273825_100000766640 [0,2,0,0,0,0|1,0,1]=4 5984 B9R0.35 CCCC(C)C(=O)C=CCl 1458a_200016279998_100000766640 [0,2,0,0,0,0|1,0,1]=4 5985 B9R0.35 CCCC(C)C(=O)C=CI 1458a_100016256311_100000766640 [0,2,0,0,0,0|1,0,1]=4 5986 B9R0.35 CCCC(C)C(=O)CC#N 1458a_100000210906_100011214920 [0,2,0,0,0,0|1,0,1]=4 5987 B9R0.35 CCCC(C)C(=O)CC#N 1458a_100051588842_100000766640 [0,2,0,0,0,0|1,0,1]=4 5988 B9R0.35 CCCC(C)C(=O)CCF 1458a_100000210906_100011217306 [0,2,0,0,0,0|1,0,0]=3 5989 B9R0.35 CCCC(C)C(=O)CCO 1458a_100000210906_100000211926 [0,2,0,0,0,0|1,0,0]=3 5990 B9R0.35 CCCC(C)C(=O)CCO 1458a_100011216618_100000766640 [0,2,0,0,0,0|1,0,0]=3 5991 B9R0.35 CCCC(C)C(=O)COC 1458a_100000210968_100000766640 [0,2,0,0,0,0|0,0,0]=2 5992 B9R0.35 CCCC(C)C(=O)CSC 1458a_100000184570_100000766640 [0,2,0,0,0,0|0,1,0]=3 5993 B9R0.35 CCCC(C)C(=O)NCC 11a_100015525214_100000210906 [0,2,0,0,0,0|1,0,0]=3 5994 B9R0.35 CCCC(C)C(=O)NCC 240690a_100015525214_100000210906 [0,2,0,0,0,0|1,0,0]=3 5995 B9R0.35 CCCC(C)C(=O)NCC 527a_100015525214_100000210906 [0,2,0,0,0,0|1,0,0]=3 5996 B9R0.35 CCCC(C)C(=O)NNC 22a_100016993582_100000210906 [0,2,0,0,0,0|1,0,0]=3 5997 B9R0.35 CCCC(C)C(C)OCC 34a_100000708338_100000210202 [0,2,0,0,0,0|1,0,1]=4 5998 B9R0.35 CCCC(C)C(C)OCC 7a_100000708338_100000210202 [0,2,0,0,0,0|1,0,1]=4 5999 B9R0.35 CCCC(C)C(C)OCF 34a_100000708338_100015361967 [0,2,0,0,0,0|1,0,1]=4 6000 B9R0.35 CCCC(C)C(C)OCF 7a_100000708338_100015361967 [0,2,0,0,0,0|1,0,1]=4 6001 B9R0.35 CCCN(C)C(=O)CCO 240690a_100000747261_100011216618 [0,2,0,0,0,0|2,0,0]=4 6002 B9R0.35 CCCN(C)C(=O)COC 11a_100000747261_100000210968 [0,2,0,0,0,0|1,0,0]=3 6003 B9R0.35 CCCN(C)C(=O)COC 1626a_100000747261_100000210968 [0,2,0,0,0,0|1,0,0]=3 6004 B9R0.35 CCCN(C)C(=O)COC 240690a_100000747261_100000210968 [0,2,0,0,0,0|1,0,0]=3 6005 B9R0.35 CCCN(C)C(=O)COC 527a_100000747261_100000210968 [0,2,0,0,0,0|1,0,0]=3 6006 B9R0.35 CCCN(C)C(=O)CSC 11a_100000747261_100000184570 [0,2,0,0,0,0|1,1,0]=4 6007 B9R0.35 CCCN(C)C(=O)CSC 1626a_100000747261_100000184570 [0,2,0,0,0,0|1,1,0]=4 6008 B9R0.35 CCCN(C)C(=O)CSC 240690a_100000747261_100000184570 [0,2,0,0,0,0|1,1,0]=4 6009 B9R0.35 CCCN(C)C(=O)CSC 527a_100000747261_100000184570 [0,2,0,0,0,0|1,1,0]=4 6010 B9R0.35 CCCN(C)C(=O)NCC 2708a_100015525214_100000747261 [0,2,0,0,0,0|2,0,0]=4 6011 B9R0.35 CCCN(C)C(=O)NCC 273464a_100015525214_100000747261 [0,2,0,0,0,0|2,0,0]=4 6012 B9R0.35 CCC[C@H](O)C(=O)CC#N 1458a_100009822183_100011214920 [0,2,0,0,0,0|1,0,1]=4 6013 B9R0.35 CCC[C@H](O)C(=O)CCF 1458a_100009822183_100011217306 [0,2,0,0,0,0|1,0,0]=3 6014 B9R0.35 CCC[C@H](O)C(=O)CCO 1458a_100009822183_100000211926 [0,2,0,0,0,0|1,0,0]=3 6015 B9R0.35 CCC[C@H](O)C(=O)NCC 240690a_100015525214_100009822183 [0,2,0,0,0,0|1,0,0]=3 6016 B9R0.35 CCC[C@H](O)C(=O)NNC 22a_100016993582_100009822183 [0,2,0,0,0,0|1,0,0]=3 6017 B9R0.35 CCNC(=O)C(=O)OCC 11a_100015525214_100014798877 [0,2,0,0,0,0|1,0,1]=4 6018 B9R0.35 CCNC(=O)C(=O)OCC 240690a_100015525214_100014798877 [0,2,0,0,0,0|1,0,1]=4 6019 B9R0.35 CCNC(=O)C(C)COC 11a_100015525214_100000751857 [0,2,0,0,0,0|2,0,0]=4 6020 B9R0.35 CCNC(=O)C(C)COC 240690a_100015525214_100000751857 [0,2,0,0,0,0|2,0,0]=4 6021 B9R0.35 CCNC(=O)C(C)COC 527a_100015525214_100000751857 [0,2,0,0,0,0|2,0,0]=4 6022 B9R0.35 CCNC(=O)C(C)CSC 11a_100015525214_100000753918 [0,2,0,0,0,0|2,0,0]=4 6023 B9R0.35 CCNC(=O)C(C)CSC 240690a_100015525214_100000753918 [0,2,0,0,0,0|2,0,0]=4 6024 B9R0.35 CCNC(=O)C(C)CSC 527a_100015525214_100000753918 [0,2,0,0,0,0|2,0,0]=4 6025 B9R0.35 CCNC(=O)C(C)NCC 2230a_100000736553_100000210202 [0,2,0,0,0,0|2,0,0]=4 6026 B9R0.35 CCNC(=O)C(C)NCC 2230a_100015525214_100000230173 [0,2,0,0,0,0|2,0,0]=4 6027 B9R0.35 CCNC(=O)C(C)NCC 34a_100000736553_100000210202 [0,2,0,0,0,0|2,0,0]=4 6028 B9R0.35 CCNC(=O)C(C)OCC 11a_100015525214_100000739345 [0,2,0,0,0,0|2,0,0]=4 6029 B9R0.35 CCNC(=O)C(C)OCC 240690a_100015525214_100000739345 [0,2,0,0,0,0|2,0,0]=4 6030 B9R0.35 CCNC(=O)C(C)OCC 34a_100121572206_100000230173 [0,2,0,0,0,0|2,0,0]=4 6031 B9R0.35 CCNC(=O)C(C)OCC 527a_100015525214_100000739345 [0,2,0,0,0,0|2,0,0]=4 6032 B9R0.35 CCNC(=O)C(C)SCC 11a_100015525214_100000230601 [0,2,0,0,0,0|2,0,0]=4 6033 B9R0.35 CCNC(=O)C(C)SCC 240690a_100015525214_100000230601 [0,2,0,0,0,0|2,0,0]=4 6034 B9R0.35 CCNC(=O)C(C)SCC 527a_100015525214_100000230601 [0,2,0,0,0,0|2,0,0]=4 6035 B9R0.35 CCNC(=O)C(C)SCC 62a_100000210202_100000230173 [0,2,0,0,0,0|2,0,0]=4 6036 B9R0.35 CCNC(=O)C(C)SCC 62a_100000230173_100000210202 [0,2,0,0,0,0|2,0,0]=4 6037 B9R0.35 CCNC(C)C(=O)OCC 2230a_100015525214_100011215307 [0,2,0,0,0,0|1,0,0]=3 6038 B9R0.35 CCNC(F)C(=O)OCC 2230a_100015525214_100000760018 [0,2,0,0,0,0|1,0,0]=3 6039 B9R0.35 CCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210202 [0,2,0,0,0,0|1,1,0]=4 6040 B9R0.35 CCOC(=O)C(=O)CSC 62a_100000211299_200000210301 [0,2,0,0,0,0|1,0,1]=4 6041 B9R0.35 CCOC(=O)C(=O)CSC 62a_200000210301_100000211299 [0,2,0,0,0,0|1,0,1]=4 6042 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_100000211299_200025704644 [0,2,0,0,0,0|1,0,1]=4 6043 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_200025704644_100000211299 [0,2,0,0,0,0|1,0,1]=4 6044 B9R0.35 CCOC(=O)C(C)OCC 34a_100121572206_100011216346 [0,2,0,0,0,0|1,0,0]=3 6045 B9R0.35 CCOC(=O)C(C)SCC 62a_100000210202_100011216346 [0,2,0,0,0,0|1,0,0]=3 6046 B9R0.35 CCOC(=O)C(C)SCC 62a_100011216346_100000210202 [0,2,0,0,0,0|1,0,0]=3 6047 B9R0.35 CCOC(=O)C(C)SCF 62a_100011216346_100015361967 [0,2,0,0,0,0|2,0,0]=4 6048 B9R0.35 CCOC(=O)C(C)SCF 62a_100015361967_100011216346 [0,2,0,0,0,0|2,0,0]=4 6049 B9R0.35 CCOC(=O)C(F)OCC 34a_100121572206_100000760018 [0,2,0,0,0,0|1,0,0]=3 6050 B9R0.35 CCOC(=O)C(F)SCC 62a_100000210202_100000760018 [0,2,0,0,0,0|1,0,0]=3 6051 B9R0.35 CCOC(=O)C(F)SCC 62a_100000760018_100000210202 [0,2,0,0,0,0|1,0,0]=3 6052 B9R0.35 CCOC(=O)C(F)SCF 62a_100000760018_100015361967 [0,2,0,0,0,0|2,0,0]=4 6053 B9R0.35 CCOC(=O)C(F)SCF 62a_100015361967_100000760018 [0,2,0,0,0,0|2,0,0]=4 6054 B9R0.35 CCOC(=O)[C@H](C)OCC 7a_100000751109_100000210202 [0,2,0,0,0,0|1,0,0]=3 6055 B9R0.35 CCOC(=O)[C@H](C)OCF 7a_100000751109_100015361967 [0,2,0,0,0,0|2,0,0]=4 6056 B9R0.35 CCOC(C)C(=O)CCF 1458a_100000739345_100011217306 [0,2,0,0,0,0|2,0,0]=4 6057 B9R0.35 CCOC(C)C(=O)CCO 1458a_100000739345_100000211926 [0,2,0,0,0,0|2,0,0]=4 6058 B9R0.35 CCOC(C)C(=O)NNC 22a_100016993582_100000739345 [0,2,0,0,0,0|2,0,0]=4 6059 B9R0.35 CCSC(C)C(=O)CCF 1458a_100000230601_100011217306 [0,2,0,0,0,0|2,0,0]=4 6060 B9R0.35 CCSC(C)C(=O)CCO 1458a_100000230601_100000211926 [0,2,0,0,0,0|2,0,0]=4 6061 B9R0.35 CCSC(C)C(=O)NNC 22a_100016993582_100000230601 [0,2,0,0,0,0|2,0,0]=4 6062 B9R0.35 CNNC(=O)C(C)COC 22a_100016993582_100000751857 [0,2,0,0,0,0|2,0,0]=4 6063 B9R0.35 CNNC(=O)C(C)CSC 22a_100016993582_100000753918 [0,2,0,0,0,0|2,0,0]=4 6064 B9R0.35 COCC(=O)C(C)CC#N 1458a_100000210968_100009813641 [0,2,0,0,0,0|1,0,1]=4 6065 B9R0.35 COCC(=O)C(C)CCO 1458a_100000210968_100009893172 [0,2,0,0,0,0|1,0,0]=3 6066 B9R0.35 COCC(=O)C(C)COC 1458a_100000210968_100000765312 [0,2,0,0,0,0|1,0,0]=3 6067 B9R0.35 COCC(=O)N(C)CCO 240690a_100000210263_100000210968 [0,2,0,0,0,0|2,0,0]=4 6068 B9R0.35 COCC(=O)N(C)CCO 527a_100000210263_100000210968 [0,2,0,0,0,0|2,0,0]=4 6069 B9R0.35 COCC(C)C(=O)CCF 1458a_100000751857_100011217306 [0,2,0,0,0,0|2,0,0]=4 6070 B9R0.35 COCC(C)C(=O)CCO 1458a_100000751857_100000211926 [0,2,0,0,0,0|2,0,0]=4 6071 B9R0.35 COCC(C)C(=O)CCO 1458a_100011216618_100000765312 [0,2,0,0,0,0|2,0,0]=4 6072 B9R0.35 COCC(C)C(=O)CSC 1458a_100000184570_100000765312 [0,2,0,0,0,0|1,1,0]=4 6073 B9R0.35 CSCC(=O)C(C)CCO 1458a_100000184570_100009893172 [0,2,0,0,0,0|1,1,0]=4 6074 B9R0.35 CSCC(C)C(=O)CCF 1458a_100000753918_100011217306 [0,2,0,0,0,0|2,0,0]=4 6075 B9R0.35 CSCC(C)C(=O)CCO 1458a_100000753918_100000211926 [0,2,0,0,0,0|2,0,0]=4 6076 B9R0.40 C#CC(CCCC)OCC 34a_200011217967_100000210202 [0,2,0,0,0,0|1,0,1]=4 6077 B9R0.40 C#CC(CCCC)OCC 7a_200011217967_100000210202 [0,2,0,0,0,0|1,0,1]=4 6078 B9R0.40 C#CC(CCCC)OCF 34a_200011217967_100015361967 [0,2,0,0,0,0|1,0,1]=4 6079 B9R0.40 C#CC(CCCC)OCF 7a_200011217967_100015361967 [0,2,0,0,0,0|1,0,1]=4 6080 B9R0.40 C=CC(CCCC)OCC 34a_200011215037_100000210202 [0,2,0,0,0,0|1,0,1]=4 6081 B9R0.40 C=CC(CCCC)OCC 7a_200011215037_100000210202 [0,2,0,0,0,0|1,0,1]=4 6082 B9R0.40 C=CC(CCCC)OCF 34a_200011215037_100015361967 [0,2,0,0,0,0|1,0,1]=4 6083 B9R0.40 C=CC(CCCC)OCF 7a_200011215037_100015361967 [0,2,0,0,0,0|1,0,1]=4 6084 B9R0.40 C=CCC(CCCC)OC 34a_200011216941_200000210301 [0,2,0,0,0,0|1,0,1]=4 6085 B9R0.40 C=CCC(CCCC)OC 7a_200011216941_200000210301 [0,2,0,0,0,0|1,0,1]=4 6086 B9R0.40 C=CCC(CCCC)O[13CH3] 34a_200011216941_200025704644 [0,2,0,0,0,0|1,0,1]=4 6087 B9R0.40 C=CCC(CCCC)O[13CH3] 7a_200011216941_200025704644 [0,2,0,0,0,0|1,0,1]=4 6088 B9R0.40 CCC/C=C(\CC)/COC 34a_200015372368_200000210301 [0,2,0,0,0,0|1,0,1]=4 6089 B9R0.40 CCC/C=C(\CC)/COC 7a_200015372368_200000210301 [0,2,0,0,0,0|1,0,1]=4 6090 B9R0.40 CCC/C=C(\CC)/CO[13CH3] 34a_200015372368_200025704644 [0,2,0,0,0,0|1,0,1]=4 6091 B9R0.40 CCC/C=C(\CC)/CO[13CH3] 7a_200015372368_200025704644 [0,2,0,0,0,0|1,0,1]=4 6092 B9R0.40 CCCCC(CC)COC 34a_100000210273_200000210301 [0,2,0,0,0,0|1,0,1]=4 6093 B9R0.40 CCCCC(CC)COC 34a_100138415774_100000211942 [0,2,0,0,0,0|1,0,1]=4 6094 B9R0.40 CCCCC(CC)COC 7a_100000210273_200000210301 [0,2,0,0,0,0|1,0,1]=4 6095 B9R0.40 CCCCC(CC)CO[13CH3] 34a_100000210273_200025704644 [0,2,0,0,0,0|1,0,1]=4 6096 B9R0.40 CCCCC(CC)CO[13CH3] 7a_100000210273_200025704644 [0,2,0,0,0,0|1,0,1]=4 6097 B9R0.40 CCCCC(CC)OCC 34a_100011215227_100000210202 [0,2,0,0,0,0|1,0,1]=4 6098 B9R0.40 CCCCC(CC)OCC 34a_100121572206_200011216223 [0,2,0,0,0,0|1,0,1]=4 6099 B9R0.40 CCCCC(CC)OCC 7a_100011215227_100000210202 [0,2,0,0,0,0|1,0,1]=4 6100 B9R0.40 CCCCC(CC)OCF 34a_100011215227_100015361967 [0,2,0,0,0,0|1,0,1]=4 6101 B9R0.40 CCCCC(CC)OCF 7a_100011215227_100015361967 [0,2,0,0,0,0|1,0,1]=4 6102 B9R0.40 CCCCC(CCC)OC 34a_100011215800_200000210301 [0,2,0,0,0,0|1,0,1]=4 6103 B9R0.40 CCCCC(CCC)OC 34a_100138415774_100000211913 [0,2,0,0,0,0|1,0,1]=4 6104 B9R0.40 CCCCC(CCC)OC 7a_100011215800_200000210301 [0,2,0,0,0,0|1,0,1]=4 6105 B9R0.40 CCCCC(CCC)O[13CH3] 34a_100011215800_200025704644 [0,2,0,0,0,0|1,0,1]=4 6106 B9R0.40 CCCCC(CCC)O[13CH3] 7a_100011215800_200025704644 [0,2,0,0,0,0|1,0,1]=4 6107 B9R0.40 CCCCN(CC)CC=O 2230a_100000207695_200015260668 [0,2,0,0,0,0|2,0,0]=4 6108 B9R0.40 CCCCN(CC)CC=O 269982a_100000207695_200015260668 [0,2,0,0,0,0|2,0,0]=4 6109 B9R0.40 CCCCN(CC)COC 2230a_100000207695_100000766300 [0,2,0,0,0,0|2,0,0]=4 6110 B9R0.40 CCCCN(CC)COC 269982a_100000207695_100000766300 [0,2,0,0,0,0|2,0,0]=4 6111 B9R0.48 C#CCC(=O)CCC(C)C 1458a_100000181311_100000184674 [0,2,0,0,0,0|1,0,1]=4 6112 B9R0.48 C#CCC(=O)CCC(C)C 1458a_100011220946_100000210312 [0,2,0,0,0,0|1,0,1]=4 6113 B9R0.48 C#CCC(=O)CCC(C)O 1458a_100011220946_100012276601 [0,2,0,0,0,0|1,0,1]=4 6114 B9R0.48 C=C(C)CCC(=O)C#CC 1458a_100000763181_100000730704 [0,2,0,0,0,0|1,0,1]=4 6115 B9R0.48 C=C(C)CCC(=O)C=CC 1458a_100000210699_100000730704 [0,2,0,0,0,0|1,0,1]=4 6116 B9R0.48 C=C(C)CCC(=O)CCC 1458a_100000211992_100000730704 [0,2,0,0,0,0|1,0,1]=4 6117 B9R0.48 C=C(C)CCC(=O)CCC 1458a_200000688413_100000210303 [0,2,0,0,0,0|1,0,1]=4 6118 B9R0.48 C=C(C)CCC(=O)CCF 1458a_200000688413_100011217306 [0,2,0,0,0,0|1,0,1]=4 6119 B9R0.48 C=C(C)CCC(=O)CCO 1458a_100011216618_100000730704 [0,2,0,0,0,0|1,0,1]=4 6120 B9R0.48 C=C(C)CCC(=O)CCO 1458a_200000688413_100000211926 [0,2,0,0,0,0|1,0,1]=4 6121 B9R0.48 C=C(C)CCC(=O)COC 1458a_100000210968_100000730704 [0,2,0,0,0,0|0,0,1]=3 6122 B9R0.48 C=C(C)CCC(=O)CSC 1458a_100000184570_100000730704 [0,2,0,0,0,0|0,1,1]=4 6123 B9R0.48 C=C(C)CCC(=O)NCC 11a_100015525214_200000688413 [0,2,0,0,0,0|1,0,1]=4 6124 B9R0.48 C=C(C)CCC(=O)NCC 240690a_100015525214_200000688413 [0,2,0,0,0,0|1,0,1]=4 6125 B9R0.48 C=C(C)CCC(=O)NCC 527a_100015525214_200000688413 [0,2,0,0,0,0|1,0,1]=4 6126 B9R0.48 C=C(C)CCC(=O)NNC 22a_100016993582_200000688413 [0,2,0,0,0,0|1,0,1]=4 6127 B9R0.48 C=C(C)CNC(=O)COC 11a_100000765925_100000210968 [0,2,0,0,0,0|1,0,1]=4 6128 B9R0.48 C=C(C)CNC(=O)COC 1626a_100000765925_100000210968 [0,2,0,0,0,0|1,0,1]=4 6129 B9R0.48 C=C(C)CNC(=O)COC 240690a_100000765925_100000210968 [0,2,0,0,0,0|1,0,1]=4 6130 B9R0.48 C=C(C)CNC(=O)COC 527a_100000765925_100000210968 [0,2,0,0,0,0|1,0,1]=4 6131 B9R0.48 C=CCC(=O)CCC(C)C 1458a_100000181311_100000210623 [0,2,0,0,0,0|1,0,1]=4 6132 B9R0.48 C=CCC(=O)CCC(C)C 1458a_100000210193_100000210312 [0,2,0,0,0,0|1,0,1]=4 6133 B9R0.48 C=CCC(=O)CCC(C)O 1458a_100000210193_100012276601 [0,2,0,0,0,0|1,0,1]=4 6134 B9R0.48 C=COC(=O)CNC(C)C 2230a_100138425928_100000036128 [0,2,0,0,0,0|1,0,1]=4 6135 B9R0.48 C=COC(=O)CNC(C)C 34a_100138425928_100000036128 [0,2,0,0,0,0|1,0,1]=4 6136 B9R0.48 C=COC(=O)COC(C)C 34a_100000212225_100000036128 [0,2,0,0,0,0|1,0,1]=4 6137 B9R0.48 C=COC(=O)CSC(C)C 62a_100000036128_100000210206 [0,2,0,0,0,0|1,0,1]=4 6138 B9R0.48 C=COC(=O)CSC(C)C 62a_100000210206_100000036128 [0,2,0,0,0,0|1,0,1]=4 6139 B9R0.48 CC#CC(=O)CCC(C)C 1458a_100000763181_100000210312 [0,2,0,0,0,0|1,0,0]=3 6140 B9R0.48 CC#CC(=O)CCC(C)O 1458a_100000763181_100012276601 [0,2,0,0,0,0|1,0,0]=3 6141 B9R0.48 CC(C)CCC(=O)C=CBr 1458a_100016273825_100000210312 [0,2,0,0,0,0|1,0,1]=4 6142 B9R0.48 CC(C)CCC(=O)C=CCl 1458a_200016279998_100000210312 [0,2,0,0,0,0|1,0,1]=4 6143 B9R0.48 CC(C)CCC(=O)C=CI 1458a_100016256311_100000210312 [0,2,0,0,0,0|1,0,1]=4 6144 B9R0.48 CC(C)CCC(=O)CC#N 1458a_100000181311_100011214920 [0,2,0,0,0,0|1,0,1]=4 6145 B9R0.48 CC(C)CCC(=O)CC#N 1458a_100051588842_100000210312 [0,2,0,0,0,0|1,0,1]=4 6146 B9R0.48 CC(C)CCC(=O)CCF 1458a_100000181311_100011217306 [0,2,0,0,0,0|1,0,0]=3 6147 B9R0.48 CC(C)CCC(=O)CCO 1458a_100000181311_100000211926 [0,2,0,0,0,0|1,0,0]=3 6148 B9R0.48 CC(C)CCC(=O)CCO 1458a_100011216618_100000210312 [0,2,0,0,0,0|1,0,0]=3 6149 B9R0.48 CC(C)CCC(C)OCF 34a_100011215350_100015361967 [0,2,0,0,0,0|1,0,1]=4 6150 B9R0.48 CC(C)CCC(C)OCF 7a_100011215350_100015361967 [0,2,0,0,0,0|1,0,1]=4 6151 B9R0.48 CC(C)CNC(=O)CCO 240690a_100000210953_100011216618 [0,2,0,0,0,0|2,0,0]=4 6152 B9R0.48 CC(C)CNC(=O)CS[13CH3] 62a_100000183291_200025704644 [0,2,0,0,0,0|1,1,0]=4 6153 B9R0.48 CC(C)CNC(=O)CS[13CH3] 62a_200025704644_100000183291 [0,2,0,0,0,0|1,1,0]=4 6154 B9R0.48 CC(C)NCC(=O)NCO 2230a_100138425928_100000185155 [0,2,0,0,0,0|2,0,0]=4 6155 B9R0.48 CC(C)NCC(=O)NCO 34a_100138425928_100000185155 [0,2,0,0,0,0|2,0,0]=4 6156 B9R0.48 CC(C)OCC(=O)CCF 1458a_100000745533_100011217306 [0,2,0,0,0,0|2,0,0]=4 6157 B9R0.48 CC(C)OCC(=O)CCO 1458a_100000745533_100000211926 [0,2,0,0,0,0|2,0,0]=4 6158 B9R0.48 CC(C)OCC(=O)NCO 34a_100000212225_100000185155 [0,2,0,0,0,0|2,0,0]=4 6159 B9R0.48 CC(C)SCC(=O)CCF 1458a_100000241585_100011217306 [0,2,0,0,0,0|2,0,0]=4 6160 B9R0.48 CC(C)SCC(=O)CCO 1458a_100000241585_100000211926 [0,2,0,0,0,0|2,0,0]=4 6161 B9R0.48 CC(C)SCC(=O)NCO 62a_100000185155_100000210206 [0,2,0,0,0,0|2,0,0]=4 6162 B9R0.48 CC(C)SCC(=O)NCO 62a_100000210206_100000185155 [0,2,0,0,0,0|2,0,0]=4 6163 B9R0.48 CC(O)CCC(=O)C=CBr 1458a_100016273825_100012276601 [0,2,0,0,0,0|1,0,1]=4 6164 B9R0.48 CC(O)CCC(=O)C=CCl 1458a_200016279998_100012276601 [0,2,0,0,0,0|1,0,1]=4 6165 B9R0.48 CC(O)CCC(=O)C=CI 1458a_100016256311_100012276601 [0,2,0,0,0,0|1,0,1]=4 6166 B9R0.48 CC(O)CCC(=O)CC#N 1458a_100051588842_100012276601 [0,2,0,0,0,0|1,0,1]=4 6167 B9R0.48 CC(O)CCC(=O)CCO 1458a_100011216618_100012276601 [0,2,0,0,0,0|1,0,0]=3 6168 B9R0.48 CC(O)CNC(=O)CCO 240690a_100000210904_100011216618 [0,2,0,0,0,0|2,0,0]=4 6169 B9R0.48 CC=CC(=O)CCC(C)C 1458a_100000210699_100000210312 [0,2,0,0,0,0|1,0,0]=3 6170 B9R0.48 CC=CC(=O)CCC(C)O 1458a_100000210699_100012276601 [0,2,0,0,0,0|1,0,0]=3 6171 B9R0.48 CC=CC(=O)NCC(C)C 11a_100000210953_100000210699 [0,2,0,0,0,0|2,0,0]=4 6172 B9R0.48 CC=CC(=O)NCC(C)C 1626a_100000210953_100000210699 [0,2,0,0,0,0|2,0,0]=4 6173 B9R0.48 CC=CC(=O)NCC(C)C 240690a_100000210953_100000210699 [0,2,0,0,0,0|2,0,0]=4 6174 B9R0.48 CC=CC(=O)NCC(C)O 11a_100000210904_100000210699 [0,2,0,0,0,0|2,0,0]=4 6175 B9R0.48 CC=CC(=O)NCC(C)O 240690a_100000210904_100000210699 [0,2,0,0,0,0|2,0,0]=4 6176 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000181311_100000210303 [0,2,0,0,0,0|1,0,0]=3 6177 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000211992_100000210312 [0,2,0,0,0,0|1,0,0]=3 6178 B9R0.48 CCCC(=O)CCC(C)O 1458a_100000211992_100012276601 [0,2,0,0,0,0|1,0,0]=3 6179 B9R0.48 CCCC(=O)CC[S+](C)C 1458a_100009452791_100000210303 [0,2,0,0,0,0|2,0,0]=4 6180 B9R0.48 CCCC(=O)CNC(C)C 2230a_100138425928_100000747444 [0,2,0,0,0,0|2,0,0]=4 6181 B9R0.48 CCCC(=O)COC(C)C 1458a_100000745533_100000210303 [0,2,0,0,0,0|2,0,0]=4 6182 B9R0.48 CCCC(=O)CSC(C)C 1458a_100000241585_100000210303 [0,2,0,0,0,0|2,0,0]=4 6183 B9R0.48 CCCC(=O)CSC(C)C 62a_100000210206_100000747444 [0,2,0,0,0,0|2,0,0]=4 6184 B9R0.48 CCCC(=O)CSC(C)C 62a_100000747444_100000210206 [0,2,0,0,0,0|2,0,0]=4 6185 B9R0.48 CCCC(=O)NCC(C)C 11a_100000210953_100000211992 [0,2,0,0,0,0|2,0,0]=4 6186 B9R0.48 CCCC(=O)NCC(C)C 1626a_100000210953_100000211992 [0,2,0,0,0,0|2,0,0]=4 6187 B9R0.48 CCCC(=O)NCC(C)C 240690a_100000210953_100000211992 [0,2,0,0,0,0|2,0,0]=4 6188 B9R0.48 CCCC(=O)NCC(C)C 527a_100000210953_100000211992 [0,2,0,0,0,0|2,0,0]=4 6189 B9R0.48 CCCC(=O)NCC(C)O 11a_100000210904_100000211992 [0,2,0,0,0,0|2,0,0]=4 6190 B9R0.48 CCCC(=O)NCC(C)O 240690a_100000210904_100000211992 [0,2,0,0,0,0|2,0,0]=4 6191 B9R0.48 CCCC(=O)NCC(C)O 527a_100000210904_100000211992 [0,2,0,0,0,0|2,0,0]=4 6192 B9R0.48 CCNC(=O)CCC(=O)C 1458a_100000199579_200000210301 [0,2,0,0,0,0|1,0,1]=4 6193 B9R0.48 CCNC(=O)CCC(=O)[13CH3] 1458a_100000199579_200025704644 [0,2,0,0,0,0|1,0,1]=4 6194 B9R0.48 CCNC(=O)CCC(C)C 11a_100015525214_100000181311 [0,2,0,0,0,0|1,0,0]=3 6195 B9R0.48 CCNC(=O)CCC(C)C 240690a_100015525214_100000181311 [0,2,0,0,0,0|1,0,0]=3 6196 B9R0.48 CCNC(=O)CCC(C)C 527a_100015525214_100000181311 [0,2,0,0,0,0|1,0,0]=3 6197 B9R0.48 CCNC(=O)CCN(C)C 11a_100015525214_100000689311 [0,2,0,0,0,0|2,0,0]=4 6198 B9R0.48 CCNC(=O)CCN(C)C 2230a_100102631434_100000737597 [0,2,0,0,0,0|2,0,0]=4 6199 B9R0.48 CCNC(=O)CCN(C)C 240690a_100015525214_100000689311 [0,2,0,0,0,0|2,0,0]=4 6200 B9R0.48 CCNC(=O)CCN(C)C 269982a_100102631434_100000737597 [0,2,0,0,0,0|2,0,0]=4 6201 B9R0.48 CCNC(=O)CCN(C)C 527a_100015525214_100000689311 [0,2,0,0,0,0|2,0,0]=4 6202 B9R0.48 CCNC(=O)CC[S+](C)C 11a_100015525214_100009452791 [0,2,0,0,0,0|2,0,0]=4 6203 B9R0.48 CCNC(=O)CC[S+](C)C 240690a_100015525214_100009452791 [0,2,0,0,0,0|2,0,0]=4 6204 B9R0.48 CCNC(=O)CNC(C)C 2230a_100016988866_100000210206 [0,2,0,0,0,0|2,0,0]=4 6205 B9R0.48 CCNC(=O)CNC(C)C 2230a_100138425928_100000183381 [0,2,0,0,0,0|2,0,0]=4 6206 B9R0.48 CCNC(=O)CNC(C)C 34a_100138425928_100000183381 [0,2,0,0,0,0|2,0,0]=4 6207 B9R0.48 CCNC(=O)COC(C)C 11a_100015525214_100000745533 [0,2,0,0,0,0|2,0,0]=4 6208 B9R0.48 CCNC(=O)COC(C)C 240690a_100015525214_100000745533 [0,2,0,0,0,0|2,0,0]=4 6209 B9R0.48 CCNC(=O)COC(C)C 34a_100000212225_100000183381 [0,2,0,0,0,0|2,0,0]=4 6210 B9R0.48 CCNC(=O)COC(C)C 527a_100015525214_100000745533 [0,2,0,0,0,0|2,0,0]=4 6211 B9R0.48 CCNC(=O)CSC(C)C 11a_100015525214_100000241585 [0,2,0,0,0,0|2,0,0]=4 6212 B9R0.48 CCNC(=O)CSC(C)C 240690a_100015525214_100000241585 [0,2,0,0,0,0|2,0,0]=4 6213 B9R0.48 CCNC(=O)CSC(C)C 527a_100015525214_100000241585 [0,2,0,0,0,0|2,0,0]=4 6214 B9R0.48 CCNC(=O)CSC(C)C 62a_100000183381_100000210206 [0,2,0,0,0,0|2,0,0]=4 6215 B9R0.48 CCNC(=O)CSC(C)C 62a_100000210206_100000183381 [0,2,0,0,0,0|2,0,0]=4 6216 B9R0.48 CCNC(=O)NCC(C)C 2708a_100000210953_100015525214 [0,2,0,0,0,0|2,0,0]=4 6217 B9R0.48 CCNC(=O)NCC(C)C 2708a_100015525214_100000210953 [0,2,0,0,0,0|2,0,0]=4 6218 B9R0.48 CCNC(=O)NCC(C)C 273464a_100000210953_100015525214 [0,2,0,0,0,0|2,0,0]=4 6219 B9R0.48 CCNC(=O)NCC(C)C 273464a_100015525214_100000210953 [0,2,0,0,0,0|2,0,0]=4 6220 B9R0.48 CCNC(=O)NCC(C)C 512a_100000210953_100015525214 [0,2,0,0,0,0|2,0,0]=4 6221 B9R0.48 CCNC(=O)NCC(C)C 512a_100015525214_100000210953 [0,2,0,0,0,0|2,0,0]=4 6222 B9R0.48 CCNC(=O)NCC(C)O 2708a_100015525214_100000210904 [0,2,0,0,0,0|2,0,0]=4 6223 B9R0.48 CCNC(=O)NCC(C)O 273464a_100000210904_100015525214 [0,2,0,0,0,0|2,0,0]=4 6224 B9R0.48 CCNC(=O)NCC(C)O 273464a_100015525214_100000210904 [0,2,0,0,0,0|2,0,0]=4 6225 B9R0.48 CCNC(=O)NCC(C)O 512a_100000210904_100015525214 [0,2,0,0,0,0|2,0,0]=4 6226 B9R0.48 CCNC(=O)NCC(C)O 512a_100015525214_100000210904 [0,2,0,0,0,0|2,0,0]=4 6227 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [0,2,0,0,0,0|0,0,1]=3 6228 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [0,2,0,0,0,0|0,0,1]=3 6229 B9R0.48 CCOC(=O)CCN(C)C 2230a_100000745921_200000210301 [0,2,0,0,0,0|1,0,0]=3 6230 B9R0.48 CCOC(=O)CCN(C)C 2230a_100102631434_100011206558 [0,2,0,0,0,0|1,0,0]=3 6231 B9R0.48 CCOC(=O)CCN(C)C 269982a_100000745921_200000210301 [0,2,0,0,0,0|1,0,0]=3 6232 B9R0.48 CCOC(=O)CCN(C)C 269982a_100102631434_100011206558 [0,2,0,0,0,0|1,0,0]=3 6233 B9R0.48 CCOC(=O)CCN(C)[13CH3] 2230a_100000745921_200025704644 [0,2,0,0,0,0|1,0,0]=3 6234 B9R0.48 CCOC(=O)CCN(C)[13CH3] 269982a_100000745921_200025704644 [0,2,0,0,0,0|1,0,0]=3 6235 B9R0.48 CCOC(=O)CNC(=O)C 188690a_100000741813_100015343762 [0,2,0,0,0,0|1,0,1]=4 6236 B9R0.48 CCOC(=O)CNC(C)C 2230a_100138425928_100000188475 [0,2,0,0,0,0|1,0,0]=3 6237 B9R0.48 CCOC(=O)CNC(C)C 34a_100138425928_100000188475 [0,2,0,0,0,0|1,0,0]=3 6238 B9R0.48 CCOC(=O)COC(C)C 34a_100000212225_100000188475 [0,2,0,0,0,0|1,0,0]=3 6239 B9R0.48 CCOC(=O)CSC(C)C 62a_100000188475_100000210206 [0,2,0,0,0,0|1,0,0]=3 6240 B9R0.48 CCOC(=O)CSC(C)C 62a_100000210206_100000188475 [0,2,0,0,0,0|1,0,0]=3 6241 B9R0.48 CCOC(=O)NCC(=O)C 1458a_100000190774_200000210301 [0,2,0,0,0,0|1,0,1]=4 6242 B9R0.48 CCOC(=O)NCC(=O)[13CH3] 1458a_100000190774_200025704644 [0,2,0,0,0,0|1,0,1]=4 6243 B9R0.48 CCOC(C)CCC(C)C 34a_100011215350_100000210202 [0,2,0,0,0,0|1,0,1]=4 6244 B9R0.48 CCOC(C)CCC(C)C 34a_100121572206_100011261404 [0,2,0,0,0,0|1,0,1]=4 6245 B9R0.48 CCOC(C)CCC(C)C 7a_100011215350_100000210202 [0,2,0,0,0,0|1,0,1]=4 6246 B9R0.48 CNCC(=O)NCC(C)C 2230a_106832991635_100000183291 [0,2,0,0,0,0|2,0,0]=4 6247 B9R0.48 CNCC(=O)NCC(C)C 34a_100102657272_100000183291 [0,2,0,0,0,0|2,0,0]=4 6248 B9R0.48 CNCC(=O)NCC(C)C 7a_106832991635_100000183291 [0,2,0,0,0,0|2,0,0]=4 6249 B9R0.48 CNNC(=O)CCC(C)C 22a_100016993582_100000181311 [0,2,0,0,0,0|1,0,0]=3 6250 B9R0.48 CNNC(=O)CCN(C)C 22a_100016993582_100000689311 [0,2,0,0,0,0|2,0,0]=4 6251 B9R0.48 CNNC(=O)CC[S+](C)C 22a_100016993582_100009452791 [0,2,0,0,0,0|2,0,0]=4 6252 B9R0.48 CNNC(=O)COC(C)C 22a_100016993582_100000745533 [0,2,0,0,0,0|2,0,0]=4 6253 B9R0.48 CNNC(=O)CSC(C)C 22a_100016993582_100000241585 [0,2,0,0,0,0|2,0,0]=4 6254 B9R0.48 CNNC(=O)NCC(C)C 273464a_100000210953_100016993582 [0,2,0,0,0,0|2,0,0]=4 6255 B9R0.48 CNNC(=O)NCC(C)C 512a_100000210953_100016993582 [0,2,0,0,0,0|2,0,0]=4 6256 B9R0.48 CNNC(=O)NCC(C)C 512a_100016993582_100000210953 [0,2,0,0,0,0|2,0,0]=4 6257 B9R0.48 CNNC(=O)NCC(C)O 273464a_100000210904_100016993582 [0,2,0,0,0,0|2,0,0]=4 6258 B9R0.48 CNNC(=O)NCC(C)O 512a_100000210904_100016993582 [0,2,0,0,0,0|2,0,0]=4 6259 B9R0.48 CNNC(=O)NCC(C)O 512a_100016993582_100000210904 [0,2,0,0,0,0|2,0,0]=4 6260 B9R0.48 COCC(=O)CC=C(C)C 1458a_100000210968_100000761012 [0,2,0,0,0,0|0,0,2]=4 6261 B9R0.48 COCC(=O)CCC(C)C 1458a_100000210968_100000210312 [0,2,0,0,0,0|0,0,0]=2 6262 B9R0.48 COCC(=O)CCC(C)O 1458a_100000210968_100012276601 [0,2,0,0,0,0|0,0,0]=2 6263 B9R0.48 COCC(=O)COC(=O)C 34a_100138415774_100000036994 [0,2,0,0,0,0|1,0,1]=4 6264 B9R0.48 COCC(=O)NCC(C)C 11a_100000210953_100000210968 [0,2,0,0,0,0|1,0,0]=3 6265 B9R0.48 COCC(=O)NCC(C)C 1626a_100000210953_100000210968 [0,2,0,0,0,0|1,0,0]=3 6266 B9R0.48 COCC(=O)NCC(C)C 240690a_100000210953_100000210968 [0,2,0,0,0,0|1,0,0]=3 6267 B9R0.48 COCC(=O)NCC(C)C 34a_100138415774_100000183291 [0,2,0,0,0,0|1,0,0]=3 6268 B9R0.48 COCC(=O)NCC(C)C 527a_100000210953_100000210968 [0,2,0,0,0,0|1,0,0]=3 6269 B9R0.48 COCC(=O)NCC(C)O 11a_100000210904_100000210968 [0,2,0,0,0,0|1,0,0]=3 6270 B9R0.48 COCC(=O)NCC(C)O 240690a_100000210904_100000210968 [0,2,0,0,0,0|1,0,0]=3 6271 B9R0.48 COCC(=O)NCC(C)O 527a_100000210904_100000210968 [0,2,0,0,0,0|1,0,0]=3 6272 B9R0.48 COCC(=O)NCC(F)F 11a_100000765723_100000210968 [0,2,0,0,0,0|2,0,0]=4 6273 B9R0.48 COCC(=O)NCC(F)F 1626a_100000765723_100000210968 [0,2,0,0,0,0|2,0,0]=4 6274 B9R0.48 COCC(=O)NCC(F)F 240690a_100000765723_100000210968 [0,2,0,0,0,0|2,0,0]=4 6275 B9R0.48 COCC(=O)NCC(F)F 527a_100000765723_100000210968 [0,2,0,0,0,0|2,0,0]=4 6276 B9R0.48 COCC(=O)NNC(C)C 22a_100000741168_100000210968 [0,2,0,0,0,0|2,0,0]=4 6277 B9R0.48 COCN(C)CCC(C)C 2230a_100000742789_100000766300 [0,2,0,0,0,0|2,0,0]=4 6278 B9R0.48 COCN(C)CCC(C)C 269982a_100000742789_100000766300 [0,2,0,0,0,0|2,0,0]=4 6279 B9R0.48 CSCC(=O)CCC(C)C 1458a_100000184570_100000210312 [0,2,0,0,0,0|0,1,0]=3 6280 B9R0.48 CSCC(=O)CCC(C)O 1458a_100000184570_100012276601 [0,2,0,0,0,0|0,1,0]=3 6281 B9R0.48 CSCC(=O)NCC(C)C 11a_100000210953_100000184570 [0,2,0,0,0,0|1,1,0]=4 6282 B9R0.48 CSCC(=O)NCC(C)C 1626a_100000210953_100000184570 [0,2,0,0,0,0|1,1,0]=4 6283 B9R0.48 CSCC(=O)NCC(C)C 240690a_100000210953_100000184570 [0,2,0,0,0,0|1,1,0]=4 6284 B9R0.48 CSCC(=O)NCC(C)C 527a_100000210953_100000184570 [0,2,0,0,0,0|1,1,0]=4 6285 B9R0.48 CSCC(=O)NCC(C)C 62a_100000183291_200000210301 [0,2,0,0,0,0|1,1,0]=4 6286 B9R0.48 CSCC(=O)NCC(C)C 62a_200000210301_100000183291 [0,2,0,0,0,0|1,1,0]=4 6287 B9R0.48 CSCC(=O)NCC(C)O 11a_100000210904_100000184570 [0,2,0,0,0,0|1,1,0]=4 6288 B9R0.48 CSCC(=O)NCC(C)O 240690a_100000210904_100000184570 [0,2,0,0,0,0|1,1,0]=4 6289 B9R0.48 CSCC(=O)NCC(C)O 527a_100000210904_100000184570 [0,2,0,0,0,0|1,1,0]=4 6290 B9R0.48 C[S+](C)CCC(=O)CCF 1458a_100009452791_100011217306 [0,2,0,0,0,0|2,0,0]=4 6291 B9R0.48 C[S+](C)CCC(=O)CCO 1458a_100009452791_100000211926 [0,2,0,0,0,0|2,0,0]=4 6292 B9R0.66 CCCCC(C)(C)COC 7a_200011995781_200000210301 [0,2,0,0,0,0|1,0,1]=4 6293 B9R0.66 CCCCC(C)(C)CO[13CH3] 7a_200011995781_200025704644 [0,2,0,0,0,0|1,0,1]=4 6294 B9R0.66 CCCCC(C)(C)OCC 7a_100011219641_100000210202 [0,2,0,0,0,0|1,0,1]=4 6295 B9R0.66 CCCCC(C)(C)OCF 7a_100011219641_100015361967 [0,2,0,0,0,0|1,0,1]=4 6296 B9R0.66 CCCCS(=O)(=O)NCC 270084a_100015525214_100000212082 [0,2,0,0,0,0|2,0,0]=4 6297 B9R0.66 CCCCS(=O)(=O)NCC 274078a_100015525214_100000212082 [0,2,0,0,0,0|2,0,0]=4 6298 B9R0.66 CCCCS(=O)(=O)NCC 40a_100015525214_100000054263 [0,2,0,0,0,0|2,0,0]=4 6299 B9R0.66 CCCCS(=O)(=O)NNC 40a_100016993582_100000054263 [0,2,0,0,0,0|2,0,0]=4 6300 B9R0.6 C=C(C)C(=O)C(C)CCC 1458a_100000185857_100000766640 [0,2,0,0,0,0|1,0,0]=3 6301 B9R0.6 C=C(C)C(=O)C(C)CCO 1458a_100000185857_100009893172 [0,2,0,0,0,0|2,0,0]=4 6302 B9R0.6 C=C(C)C(=O)C(C)COC 1458a_100000185857_100000765312 [0,2,0,0,0,0|2,0,0]=4 6303 B9R0.6 C=C(C)C(=O)N(C)CCC 11a_100000747261_100000185857 [0,2,0,0,0,0|2,0,0]=4 6304 B9R0.6 C=C(C)C(=O)N(C)CCC 1626a_100000747261_100000185857 [0,2,0,0,0,0|2,0,0]=4 6305 B9R0.6 CC(C)C(=O)C(C)CCO 1458a_100000210198_100009893172 [0,2,0,0,0,0|2,0,0]=4 6306 B9R0.6 CC(CCO)C(=O)[C@@H](C)O 1458a_100000717761_100009893172 [0,2,0,0,0,0|2,0,0]=4 6307 B9R0.6 CC(CCO)C(=O)[C@H](C)O 1458a_217856618621_100009893172 [0,2,0,0,0,0|2,0,0]=4 6308 B9R0.6 CC(F)C(=O)C(C)CCO 1458a_100000062450_100009893172 [0,2,0,0,0,0|2,0,0]=4 6309 B9R0.6 CCCC(=O)C(=O)N(C)C 1458a_100011218876_100000210303 [0,2,0,0,0,0|1,0,1]=4 6310 B9R0.6 CCCC(C)C(=O)C(C)C 1458a_100000210198_100000766640 [0,2,0,0,0,0|1,0,0]=3 6311 B9R0.6 CCCC(C)C(=O)C(C)C 1458a_100000210906_100000210206 [0,2,0,0,0,0|1,0,0]=3 6312 B9R0.6 CCCC(C)C(=O)C(C)F 1458a_100000062450_100000766640 [0,2,0,0,0,0|1,0,0]=3 6313 B9R0.6 CCCC(C)C(=O)C(O)O 1458a_100000233687_100000766640 [0,2,0,0,0,0|2,0,0]=4 6314 B9R0.6 CCCC(C)C(=O)N(C)C 11a_100102631434_100000210906 [0,2,0,0,0,0|1,0,0]=3 6315 B9R0.6 CCCC(C)C(=O)N(C)C 1626a_100102631434_100000210906 [0,2,0,0,0,0|1,0,0]=3 6316 B9R0.6 CCCC(C)C(=O)N(C)C 240690a_100102631434_100000210906 [0,2,0,0,0,0|1,0,0]=3 6317 B9R0.6 CCCC(C)C(=O)N(C)C 527a_100102631434_100000210906 [0,2,0,0,0,0|1,0,0]=3 6318 B9R0.6 CCCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000766640 [0,2,0,0,0,0|1,0,0]=3 6319 B9R0.6 CCCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000766640 [0,2,0,0,0,0|1,0,0]=3 6320 B9R0.6 CCCN(C)C(=O)C(C)C 11a_100000747261_100000210198 [0,2,0,0,0,0|2,0,0]=4 6321 B9R0.6 CCCN(C)C(=O)C(C)C 1626a_100000747261_100000210198 [0,2,0,0,0,0|2,0,0]=4 6322 B9R0.6 CCCN(C)C(=O)C(C)C 240690a_100000747261_100000210198 [0,2,0,0,0,0|2,0,0]=4 6323 B9R0.6 CCCN(C)C(=O)C(C)C 527a_100000747261_100000210198 [0,2,0,0,0,0|2,0,0]=4 6324 B9R0.6 CCCN(C)C(=O)C(C)F 11a_100000747261_100000062450 [0,2,0,0,0,0|2,0,0]=4 6325 B9R0.6 CCCN(C)C(=O)C(C)F 1626a_100000747261_100000062450 [0,2,0,0,0,0|2,0,0]=4 6326 B9R0.6 CCCN(C)C(=O)C(C)F 240690a_100000747261_100000062450 [0,2,0,0,0,0|2,0,0]=4 6327 B9R0.6 CCCN(C)C(=O)C(C)F 527a_100000747261_100000062450 [0,2,0,0,0,0|2,0,0]=4 6328 B9R0.6 CCCN(C)C(=O)[C@@H](C)O 240690a_100000747261_100000717761 [0,2,0,0,0,0|2,0,0]=4 6329 B9R0.6 CCCN(C)C(=O)[C@H](C)O 1626a_100000747261_217856618621 [0,2,0,0,0,0|2,0,0]=4 6330 B9R0.6 CCCN(C)C(=O)[C@H](C)O 240690a_100000747261_217856618621 [0,2,0,0,0,0|2,0,0]=4 6331 B9R0.6 CCC[C@H](O)C(=O)C(C)C 1458a_100009822183_100000210206 [0,2,0,0,0,0|1,0,0]=3 6332 B9R0.6 CCC[C@H](O)C(=O)N(C)C 240690a_100102631434_100009822183 [0,2,0,0,0,0|1,0,0]=3 6333 B9R0.6 CCNC(C)C(=O)C(C)C 2230a_100015525214_100009893295 [0,2,0,0,0,0|2,0,0]=4 6334 B9R0.6 CCNC(C)C(=O)N(C)C 2230a_100015525214_100000209910 [0,2,0,0,0,0|2,0,0]=4 6335 B9R0.6 CCN[C@@H](C)C(=O)N(C)C 2230a_100000697320_100000210202 [0,2,0,0,0,0|2,0,0]=4 6336 B9R0.6 CCN[C@@H](C)C(=O)N(C)C 34a_100000697320_100000210202 [0,2,0,0,0,0|2,0,0]=4 6337 B9R0.6 CCOC(C)C(=O)C(C)C 1458a_100000739345_100000210206 [0,2,0,0,0,0|2,0,0]=4 6338 B9R0.6 CCOC(C)C(=O)N(C)C 11a_100102631434_100000739345 [0,2,0,0,0,0|2,0,0]=4 6339 B9R0.6 CCOC(C)C(=O)N(C)C 1626a_100102631434_100000739345 [0,2,0,0,0,0|2,0,0]=4 6340 B9R0.6 CCOC(C)C(=O)N(C)C 240690a_100102631434_100000739345 [0,2,0,0,0,0|2,0,0]=4 6341 B9R0.6 CCOC(C)C(=O)N(C)C 527a_100102631434_100000739345 [0,2,0,0,0,0|2,0,0]=4 6342 B9R0.6 CCSC(C)C(=O)C(C)C 1458a_100000230601_100000210206 [0,2,0,0,0,0|2,0,0]=4 6343 B9R0.6 CCSC(C)C(=O)C(C)C 62a_100000210202_100009893295 [0,2,0,0,0,0|2,0,0]=4 6344 B9R0.6 CCSC(C)C(=O)C(C)C 62a_100009893295_100000210202 [0,2,0,0,0,0|2,0,0]=4 6345 B9R0.6 CCSC(C)C(=O)N(C)C 11a_100102631434_100000230601 [0,2,0,0,0,0|2,0,0]=4 6346 B9R0.6 CCSC(C)C(=O)N(C)C 1626a_100102631434_100000230601 [0,2,0,0,0,0|2,0,0]=4 6347 B9R0.6 CCSC(C)C(=O)N(C)C 240690a_100102631434_100000230601 [0,2,0,0,0,0|2,0,0]=4 6348 B9R0.6 CCSC(C)C(=O)N(C)C 527a_100102631434_100000230601 [0,2,0,0,0,0|2,0,0]=4 6349 B9R0.6 CCSC(C)C(=O)N(C)C 62a_100000209910_100000210202 [0,2,0,0,0,0|2,0,0]=4 6350 B9R0.6 CCSC(C)C(=O)N(C)C 62a_100000210202_100000209910 [0,2,0,0,0,0|2,0,0]=4 6351 B9R0.6 COCC(C)C(=O)C(C)C 1458a_100000210198_100000765312 [0,2,0,0,0,0|2,0,0]=4 6352 B9R0.6 COCC(C)C(=O)C(C)C 1458a_100000751857_100000210206 [0,2,0,0,0,0|2,0,0]=4 6353 B9R0.6 COCC(C)C(=O)C(C)F 1458a_100000062450_100000765312 [0,2,0,0,0,0|2,0,0]=4 6354 B9R0.6 COCC(C)C(=O)N(C)C 11a_100102631434_100000751857 [0,2,0,0,0,0|2,0,0]=4 6355 B9R0.6 COCC(C)C(=O)N(C)C 1626a_100102631434_100000751857 [0,2,0,0,0,0|2,0,0]=4 6356 B9R0.6 COCC(C)C(=O)N(C)C 240690a_100102631434_100000751857 [0,2,0,0,0,0|2,0,0]=4 6357 B9R0.6 COCC(C)C(=O)N(C)C 527a_100102631434_100000751857 [0,2,0,0,0,0|2,0,0]=4 6358 B9R0.6 COCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000765312 [0,2,0,0,0,0|2,0,0]=4 6359 B9R0.6 COCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000765312 [0,2,0,0,0,0|2,0,0]=4 6360 B9R0.6 CSCC(C)C(=O)C(C)C 1458a_100000753918_100000210206 [0,2,0,0,0,0|2,0,0]=4 6361 B9R0.6 CSCC(C)C(=O)N(C)C 11a_100102631434_100000753918 [0,2,0,0,0,0|2,0,0]=4 6362 B9R0.6 CSCC(C)C(=O)N(C)C 1626a_100102631434_100000753918 [0,2,0,0,0,0|2,0,0]=4 6363 B9R0.6 CSCC(C)C(=O)N(C)C 240690a_100102631434_100000753918 [0,2,0,0,0,0|2,0,0]=4 6364 B9R0.6 CSCC(C)C(=O)N(C)C 527a_100102631434_100000753918 [0,2,0,0,0,0|2,0,0]=4 6365 B9R0.12 C#CC(=O)C(CC)CCC 1458a_100000211873_100011219200 [0,2,0,0,0,0|1,0,1]=4 6366 B9R0.12 C=CC(=O)C(CC)CCC 1458a_100000185746_100011219200 [0,2,0,0,0,0|1,0,1]=4 6367 B9R0.12 CCC(OCF)C(=O)OC 34a_100000695916_100015361967 [0,2,0,0,0,0|2,0,0]=4 6368 B9R0.12 CCC(OCF)C(=O)OC 7a_100000695916_100015361967 [0,2,0,0,0,0|2,0,0]=4 6369 B9R0.12 CCC(SCF)C(=O)OC 62a_100000235869_100015361967 [0,2,0,0,0,0|2,0,0]=4 6370 B9R0.12 CCC(SCF)C(=O)OC 62a_100015361967_100000235869 [0,2,0,0,0,0|2,0,0]=4 6371 B9R0.12 CCCC(CC)C(=O)CC 1458a_100000210414_100011219200 [0,2,0,0,0,0|1,0,0]=3 6372 B9R0.12 CCCC(CC)C(=O)CC 1458a_100011416436_100000210202 [0,2,0,0,0,0|1,0,0]=3 6373 B9R0.12 CCCC(CC)C(=O)CF 1458a_100011416436_100015361967 [0,2,0,0,0,0|2,0,0]=4 6374 B9R0.12 CCCC(CC)C(=O)CO 1458a_100000210174_100011219200 [0,2,0,0,0,0|2,0,0]=4 6375 B9R0.12 CCCC(CC)C(=O)NC 11a_106832991635_100011416436 [0,2,0,0,0,0|1,0,0]=3 6376 B9R0.12 CCCC(CC)C(=O)NC 1626a_100102657272_100011416436 [0,2,0,0,0,0|1,0,0]=3 6377 B9R0.12 CCCC(CC)C(=O)NC 240690a_100102657272_100011416436 [0,2,0,0,0,0|1,0,0]=3 6378 B9R0.12 CCCC(CC)C(=O)NC 527a_100102657272_100011416436 [0,2,0,0,0,0|1,0,0]=3 6379 B9R0.12 CCCC(NC)C(=O)NC 2230a_106256046333_200000210301 [0,2,0,0,0,0|1,0,0]=3 6380 B9R0.12 CCCC(NC)C(=O)NC 34a_106256046333_200000210301 [0,2,0,0,0,0|1,0,0]=3 6381 B9R0.12 CCCC(NC)C(=O)OC 2230a_106832991635_200009843822 [0,2,0,0,0,0|0,0,0]=2 6382 B9R0.12 CCCC(NC)C(=O)OC 34a_100102657272_200009843822 [0,2,0,0,0,0|0,0,0]=2 6383 B9R0.12 CCCC(NC)C(=O)OC 7a_106832991635_200009843822 [0,2,0,0,0,0|0,0,0]=2 6384 B9R0.12 CCCC(N[13CH3])C(=O)NC 2230a_106256046333_200025704644 [0,2,0,0,0,0|1,0,0]=3 6385 B9R0.12 CCCC(N[13CH3])C(=O)NC 34a_106256046333_200025704644 [0,2,0,0,0,0|1,0,0]=3 6386 B9R0.12 CCCC(OC)C(=O)OC 34a_100138415774_200009843822 [0,2,0,0,0,0|0,0,0]=2 6387 B9R0.12 CCCC(SC)C(=O)OC 62a_200000210301_200009843822 [0,2,0,0,0,0|0,0,0]=2 6388 B9R0.12 CCCC(SC)C(=O)OC 62a_200009843822_200000210301 [0,2,0,0,0,0|0,0,0]=2 6389 B9R0.12 CCCC(S[13CH3])C(=O)OC 62a_200009843822_200025704644 [0,2,0,0,0,0|0,0,0]=2 6390 B9R0.12 CCCC(S[13CH3])C(=O)OC 62a_200025704644_200009843822 [0,2,0,0,0,0|0,0,0]=2 6391 B9R0.12 CCCN(CC)C(=O)CC 11a_100000226822_100000210414 [0,2,0,0,0,0|2,0,0]=4 6392 B9R0.12 CCCN(CC)C(=O)CC 1626a_100000226822_100000210414 [0,2,0,0,0,0|2,0,0]=4 6393 B9R0.12 CCCN(CC)C(=O)CC 240690a_100000226822_100000210414 [0,2,0,0,0,0|2,0,0]=4 6394 B9R0.12 CCCN(CC)C(=O)CC 527a_100000226822_100000210414 [0,2,0,0,0,0|2,0,0]=4 6395 B9R0.12 CCCN(CC)C(=O)NC 2708a_100102657272_100000226822 [0,2,0,0,0,0|2,0,0]=4 6396 B9R0.12 CCCN(CC)C(=O)NC 273464a_100102657272_100000226822 [0,2,0,0,0,0|2,0,0]=4 6397 B9R0.12 CCNC(CC)C(=O)OC 2230a_100015525214_100000235869 [0,2,0,0,0,0|1,0,0]=3 6398 B9R0.12 CCN[C@@H](CC)C(=O)NC 2230a_106657271573_100000210202 [0,2,0,0,0,0|2,0,0]=4 6399 B9R0.12 CCN[C@@H](CC)C(=O)NC 34a_106657271573_100000210202 [0,2,0,0,0,0|2,0,0]=4 6400 B9R0.12 CCOC(C=O)C(=O)OC 34a_100121572206_100000046368 [0,2,0,0,0,0|1,0,0]=3 6401 B9R0.12 CCOC(CC)C(=O)CC 34a_200011218131_100000210202 [0,2,0,0,0,0|2,0,0]=4 6402 B9R0.12 CCOC(CC)C(=O)CC 7a_200011218131_100000210202 [0,2,0,0,0,0|2,0,0]=4 6403 B9R0.12 CCOC(CC)C(=O)OC 34a_100000695916_100000210202 [0,2,0,0,0,0|1,0,0]=3 6404 B9R0.12 CCOC(CC)C(=O)OC 34a_100121572206_100000235869 [0,2,0,0,0,0|1,0,0]=3 6405 B9R0.12 CCOC(CC)C(=O)OC 7a_100000695916_100000210202 [0,2,0,0,0,0|1,0,0]=3 6406 B9R0.12 CCOC(CN)C(=O)OC 34a_100000695228_100000210202 [0,2,0,0,0,0|1,0,0]=3 6407 B9R0.12 CCOC(CO)C(=O)OC 34a_100121572206_100012276630 [0,2,0,0,0,0|1,0,0]=3 6408 B9R0.12 CCOC(OC)C(=O)OC 34a_100000036821_100000210202 [0,2,0,0,0,0|1,0,0]=3 6409 B9R0.12 CCOC(OC)C(=O)OC 34a_100121572206_100000101307 [0,2,0,0,0,0|1,0,0]=3 6410 B9R0.12 CCSC(C=O)C(=O)OC 62a_100000046368_100000210202 [0,2,0,0,0,0|1,0,0]=3 6411 B9R0.12 CCSC(C=O)C(=O)OC 62a_100000210202_100000046368 [0,2,0,0,0,0|1,0,0]=3 6412 B9R0.12 CCSC(CC)C(=O)OC 62a_100000210202_100000235869 [0,2,0,0,0,0|1,0,0]=3 6413 B9R0.12 CCSC(CC)C(=O)OC 62a_100000235869_100000210202 [0,2,0,0,0,0|1,0,0]=3 6414 B9R0.12 CCSC(CO)C(=O)OC 62a_100000210202_100012276630 [0,2,0,0,0,0|1,0,0]=3 6415 B9R0.12 CCSC(CO)C(=O)OC 62a_100012276630_100000210202 [0,2,0,0,0,0|1,0,0]=3 6416 B9R0.12 CCSC(OC)C(=O)OC 62a_100000101307_100000210202 [0,2,0,0,0,0|1,0,0]=3 6417 B9R0.12 CCSC(OC)C(=O)OC 62a_100000210202_100000101307 [0,2,0,0,0,0|1,0,0]=3 6418 B9R0.12 CNC(COC)C(=O)OC 34a_100102657272_100000717350 [0,2,0,0,0,0|1,0,0]=3 6419 B9R0.12 COC(=O)C(C=O)SCF 62a_100000046368_100015361967 [0,2,0,0,0,0|2,0,0]=4 6420 B9R0.12 COC(=O)C(C=O)SCF 62a_100015361967_100000046368 [0,2,0,0,0,0|2,0,0]=4 6421 B9R0.12 COC(=O)C(CN)OCF 34a_100000695228_100015361967 [0,2,0,0,0,0|2,0,0]=4 6422 B9R0.12 COC(=O)C(CO)SCF 62a_100012276630_100015361967 [0,2,0,0,0,0|2,0,0]=4 6423 B9R0.12 COC(=O)C(CO)SCF 62a_100015361967_100012276630 [0,2,0,0,0,0|2,0,0]=4 6424 B9R0.12 COC(=O)C(OC)OCF 34a_100000036821_100015361967 [0,2,0,0,0,0|2,0,0]=4 6425 B9R0.12 COC(=O)C(OC)SCF 62a_100000101307_100015361967 [0,2,0,0,0,0|2,0,0]=4 6426 B9R0.12 COC(=O)C(OC)SCF 62a_100015361967_100000101307 [0,2,0,0,0,0|2,0,0]=4 6427 B9R0.12 COCC(OC)C(=O)OC 34a_100138415774_100000717350 [0,2,0,0,0,0|1,0,0]=3 6428 B9R0.12 COCC(SC)C(=O)OC 62a_100000717350_200000210301 [0,2,0,0,0,0|1,0,0]=3 6429 B9R0.12 COCC(SC)C(=O)OC 62a_200000210301_100000717350 [0,2,0,0,0,0|1,0,0]=3 6430 B9R0.12 COCC(S[13CH3])C(=O)OC 62a_100000717350_200025704644 [0,2,0,0,0,0|1,0,0]=3 6431 B9R0.12 COCC(S[13CH3])C(=O)OC 62a_200025704644_100000717350 [0,2,0,0,0,0|1,0,0]=3 6432 B9R0.19 CCCC(C)C(C)(C)OC 7a_200011218223_200000210301 [0,2,0,0,0,0|1,0,1]=4 6433 B9R0.19 CCCC(C)C(C)(C)O[13CH3] 7a_200011218223_200025704644 [0,2,0,0,0,0|1,0,1]=4 6434 B9R0.19 CCCC(C)S(=O)(=O)NC 270084a_100102657272_100000718301 [0,2,0,0,0,0|2,0,0]=4 6435 B9R0.19 CCCC(C)S(=O)(=O)NC 274078a_100102657272_100000718301 [0,2,0,0,0,0|2,0,0]=4 6436 B9R0.23 C#CC(=O)C(C)CC(C)C 1458a_100000211873_100000731052 [0,2,0,0,0,0|1,0,1]=4 6437 B9R0.23 C=CC(=O)C(C)CC(C)C 1458a_100000185746_100000731052 [0,2,0,0,0,0|1,0,1]=4 6438 B9R0.23 CC(C)CC(C)C(=O)CO 1458a_100000210174_100000731052 [0,2,0,0,0,0|2,0,0]=4 6439 B9R0.23 CC(C)C[C@H](O)C(=O)CF 1458a_100012027011_100015361967 [0,2,0,0,0,0|2,0,0]=4 6440 B9R0.23 CCC(=O)C(C)CC(C)C 1458a_100000210414_100000731052 [0,2,0,0,0,0|1,0,0]=3 6441 B9R0.23 CCC(=O)C(C)CN(C)C 1458a_200015186601_100000210202 [0,2,0,0,0,0|2,0,0]=4 6442 B9R0.23 CCC(=O)C(C)NC(C)C 2230a_100138425928_100000742827 [0,2,0,0,0,0|2,0,0]=4 6443 B9R0.23 CCC(=O)C(C)SC(C)C 62a_100000210206_100000742827 [0,2,0,0,0,0|2,0,0]=4 6444 B9R0.23 CCC(=O)C(C)SC(C)C 62a_100000742827_100000210206 [0,2,0,0,0,0|2,0,0]=4 6445 B9R0.23 CCC(=O)N(C)CC(C)C 11a_100000747067_100000210414 [0,2,0,0,0,0|2,0,0]=4 6446 B9R0.23 CCC(=O)N(C)CC(C)C 1626a_100000747067_100000210414 [0,2,0,0,0,0|2,0,0]=4 6447 B9R0.23 CCC(=O)N(C)CC(C)C 240690a_100000747067_100000210414 [0,2,0,0,0,0|2,0,0]=4 6448 B9R0.23 CCC(=O)N(C)CC(C)C 527a_100000747067_100000210414 [0,2,0,0,0,0|2,0,0]=4 6449 B9R0.23 CCC(=O)N(C)CC(C)O 240690a_100000227577_100000210414 [0,2,0,0,0,0|2,0,0]=4 6450 B9R0.23 CCC(=O)N(C)CC(C)O 527a_100000227577_100000210414 [0,2,0,0,0,0|2,0,0]=4 6451 B9R0.23 CCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210202 [0,2,0,0,0,0|1,0,0]=3 6452 B9R0.23 CNC(=O)C(=O)CC(C)C 1458a_100011218921_100000210624 [0,2,0,0,0,0|1,0,1]=4 6453 B9R0.23 CNC(=O)C(=O)CC(C)O 1458a_100011218921_100011218427 [0,2,0,0,0,0|1,0,1]=4 6454 B9R0.23 CNC(=O)C(C)CN(C)C 1626a_100102657272_200015186601 [0,2,0,0,0,0|2,0,0]=4 6455 B9R0.23 CNC(=O)C(C)CN(C)C 240690a_100102657272_200015186601 [0,2,0,0,0,0|2,0,0]=4 6456 B9R0.23 CNC(=O)C(C)NC(C)C 2230a_100138425928_100000731044 [0,2,0,0,0,0|2,0,0]=4 6457 B9R0.23 CNC(=O)C(C)NC(C)C 34a_100138425928_100000731044 [0,2,0,0,0,0|2,0,0]=4 6458 B9R0.23 CNC(=O)C(C)OC(C)C 34a_100000212225_100000731044 [0,2,0,0,0,0|2,0,0]=4 6459 B9R0.23 CNC(=O)C(C)SC(C)C 62a_100000209862_100000210206 [0,2,0,0,0,0|2,0,0]=4 6460 B9R0.23 CNC(=O)C(C)SC(C)C 62a_100000210206_100000731044 [0,2,0,0,0,0|2,0,0]=4 6461 B9R0.23 CNC(=O)C(F)NC(C)C 2230a_100138425928_100009813575 [0,2,0,0,0,0|2,0,0]=4 6462 B9R0.23 CNC(=O)C(F)NC(C)C 34a_100138425928_100009813575 [0,2,0,0,0,0|2,0,0]=4 6463 B9R0.23 CNC(=O)C(F)OC(C)C 34a_100000212225_100009813575 [0,2,0,0,0,0|2,0,0]=4 6464 B9R0.23 CNC(=O)C(F)SC(C)C 62a_100000210206_100009813575 [0,2,0,0,0,0|2,0,0]=4 6465 B9R0.23 CNC(=O)C(F)SC(C)C 62a_100009813575_100000210206 [0,2,0,0,0,0|2,0,0]=4 6466 B9R0.23 CNC(=O)N(C)CC(C)C 2708a_100102657272_100000747067 [0,2,0,0,0,0|2,0,0]=4 6467 B9R0.23 CNC(=O)N(C)CC(C)C 273464a_100102657272_100000747067 [0,2,0,0,0,0|2,0,0]=4 6468 B9R0.23 CNC(=O)N(C)CC(C)O 2708a_100102657272_100000227577 [0,2,0,0,0,0|2,0,0]=4 6469 B9R0.23 CNC(=O)[C@@H](C)NC(C)C 2230a_100000684985_100000210206 [0,2,0,0,0,0|2,0,0]=4 6470 B9R0.23 CNC(=O)[C@@H](C)NC(C)C 34a_100000684985_100000210206 [0,2,0,0,0,0|2,0,0]=4 6471 B9R0.23 CNC(=O)[C@@H](O)CC(C)C 1626a_100102657272_100012027011 [0,2,0,0,0,0|1,0,0]=3 6472 B9R0.23 CNC(=O)[C@@H](O)CC(C)C 240690a_100102657272_100012027011 [0,2,0,0,0,0|1,0,0]=3 6473 B9R0.23 COC(=O)C(=O)NC(C)C 11a_100138425928_100000024059 [0,2,0,0,0,0|1,0,1]=4 6474 B9R0.23 COC(=O)C(=O)NC(C)C 1626a_100138425928_100000024059 [0,2,0,0,0,0|1,0,1]=4 6475 B9R0.23 COC(=O)C(=O)NC(C)C 240690a_100138425928_100000024059 [0,2,0,0,0,0|1,0,1]=4 6476 B9R0.23 COC(=O)C(=O)NC(C)C 527a_100138425928_100000024059 [0,2,0,0,0,0|1,0,1]=4 6477 B9R0.23 COC(=O)C(C)CN(C)C 269982a_100102631434_100000698445 [0,2,0,0,0,0|1,0,0]=3 6478 B9R0.23 COC(=O)C(C)NC(C)C 2230a_100138425928_100000211248 [0,2,0,0,0,0|1,0,0]=3 6479 B9R0.23 COC(=O)C(C)NC(C)C 34a_100138425928_100000211248 [0,2,0,0,0,0|1,0,0]=3 6480 B9R0.23 COC(=O)C(C)OC(C)C 34a_100000212225_100000211248 [0,2,0,0,0,0|1,0,0]=3 6481 B9R0.23 COC(=O)C(C)OC(C)C 34a_100011215400_100000210206 [0,2,0,0,0,0|1,0,0]=3 6482 B9R0.23 COC(=O)C(C)SC(C)C 62a_100000210206_100000211248 [0,2,0,0,0,0|1,0,0]=3 6483 B9R0.23 COC(=O)C(C)SC(C)C 62a_100000211248_100000210206 [0,2,0,0,0,0|1,0,0]=3 6484 B9R0.23 COC(=O)[C@@H](C)NC(=O)C 188690a_100000687819_100015343762 [0,2,0,0,0,0|1,0,1]=4 6485 B9R0.27 CCC(=O)C(C)C(=O)CC 1458a_100000210414_100000742827 [0,2,0,0,0,0|1,0,1]=4 6486 B9R0.27 CCC(=O)C(C)C(=O)NC 1458a_100000210414_100000209862 [0,2,0,0,0,0|1,0,1]=4 6487 B9R0.27 CCC(=O)C(C)C(=O)OC 1458a_100000210414_100000211248 [0,2,0,0,0,0|0,0,1]=3 6488 B9R0.27 CCC(=O)C(C)C(=O)OC 1458a_100012027023_100000210202 [0,2,0,0,0,0|0,0,1]=3 6489 B9R0.27 CCC(=O)C(C)N(C)CC 1458a_100011281945_100000210202 [0,2,0,0,0,0|2,0,0]=4 6490 B9R0.27 CCC(=O)C(C)N(C)CC 2230a_100000225621_100000742827 [0,2,0,0,0,0|2,0,0]=4 6491 B9R0.27 CCC(=O)C(C)N(C)CC 269982a_100000225621_100000742827 [0,2,0,0,0,0|2,0,0]=4 6492 B9R0.27 CCC(=O)C(F)C(=O)NC 1458a_100000210414_100009813575 [0,2,0,0,0,0|1,0,1]=4 6493 B9R0.27 CCC(=O)N(C)C(C)CC 11a_100000741768_100000210414 [0,2,0,0,0,0|2,0,0]=4 6494 B9R0.27 CCC(=O)N(C)C(C)CC 1626a_100000741768_100000210414 [0,2,0,0,0,0|2,0,0]=4 6495 B9R0.27 CCC(=O)N(C)C(C)CC 240690a_100000741768_100000210414 [0,2,0,0,0,0|2,0,0]=4 6496 B9R0.27 CCC(=O)N(C)C(C)CC 527a_100000741768_100000210414 [0,2,0,0,0,0|2,0,0]=4 6497 B9R0.27 CCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210202 [0,2,0,0,0,0|2,0,0]=4 6498 B9R0.27 CCC(C)C(=O)C(=O)NC 1458a_100011218921_100000758301 [0,2,0,0,0,0|1,0,1]=4 6499 B9R0.27 CCC(C)C(C)C(C)OC 7a_200011290770_200000210301 [0,2,0,0,0,0|1,0,1]=4 6500 B9R0.27 CCC(C)C(C)C(C)O[13CH3] 7a_200011290770_200025704644 [0,2,0,0,0,0|1,0,1]=4 6501 B9R0.27 CCC(C)N(C)C(=O)NC 2708a_100102657272_100000741768 [0,2,0,0,0,0|2,0,0]=4 6502 B9R0.27 CCC(C)N(C)C(=O)NC 273464a_100102657272_100000741768 [0,2,0,0,0,0|2,0,0]=4 6503 B9R0.27 CCN(C)C(=O)C(=O)OC 11a_100000225621_100000024059 [0,2,0,0,0,0|1,0,1]=4 6504 B9R0.27 CCN(C)C(=O)C(=O)OC 1626a_100000225621_100000024059 [0,2,0,0,0,0|1,0,1]=4 6505 B9R0.27 CCN(C)C(=O)C(=O)OC 240690a_100000225621_100000024059 [0,2,0,0,0,0|1,0,1]=4 6506 B9R0.27 CCN(C)C(=O)C(=O)OC 527a_100000225621_100000024059 [0,2,0,0,0,0|1,0,1]=4 6507 B9R0.27 CCN(C)C(C)C(=O)NC 2230a_100000225621_100000731044 [0,2,0,0,0,0|2,0,0]=4 6508 B9R0.27 CCN(C)C(C)C(=O)NC 240690a_100102657272_100011281945 [0,2,0,0,0,0|2,0,0]=4 6509 B9R0.27 CCN(C)C(C)C(=O)NC 269982a_100000225621_100000209862 [0,2,0,0,0,0|2,0,0]=4 6510 B9R0.27 CCN(C)C(C)C(=O)NC 527a_100102657272_100011281945 [0,2,0,0,0,0|2,0,0]=4 6511 B9R0.27 CCN(C)C(C)C(=O)OC 2230a_100000225621_100000211248 [0,2,0,0,0,0|1,0,0]=3 6512 B9R0.27 CCN(C)C(C)C(=O)OC 2230a_100000725243_100000210202 [0,2,0,0,0,0|1,0,0]=3 6513 B9R0.27 CCN(C)C(C)C(=O)OC 269982a_100000225621_100000211248 [0,2,0,0,0,0|1,0,0]=3 6514 B9R0.27 CCN(C)C(C)C(=O)OC 269982a_100000725243_100000204670 [0,2,0,0,0,0|1,0,0]=3 6515 B9R0.27 CCN(C)C(F)C(=O)NC 2230a_100000225621_100009813575 [0,2,0,0,0,0|2,0,0]=4 6516 B9R0.27 CCN(C)C(F)C(=O)NC 269982a_100000225621_100009813575 [0,2,0,0,0,0|2,0,0]=4 6517 B9R0.27 CNC(=O)C(C)C(=O)OC 11a_106832991635_100012027023 [0,2,0,0,0,0|1,0,1]=4 6518 B9R0.27 CNC(=O)C(C)C(=O)OC 1626a_100102657272_100012027023 [0,2,0,0,0,0|1,0,1]=4 6519 B9R0.27 CNC(=O)C(C)C(=O)OC 240690a_100102657272_100012027023 [0,2,0,0,0,0|1,0,1]=4 6520 B9R0.27 CNC(=O)C(C)C(=O)OC 527a_100102657272_100012027023 [0,2,0,0,0,0|1,0,1]=4 6521 B9R0.27 CNC(=O)[C@@H](N)[C@@H](C)OC 34a_100102634413_200000210301 [0,2,0,0,0,0|2,0,0]=4 6522 B9R0.27 CNC(=O)[C@@H](N)[C@@H](C)O[13CH3] 34a_100102634413_200025704644 [0,2,0,0,0,0|2,0,0]=4 6523 B9R0.27 CNC(=O)[C@H](O)[C@H](O)CO 240690a_100102657272_100015448053 [0,2,0,0,0,0|2,0,0]=4 6524 B9R0.27 CNC(C)C(=O)C(=O)OC 2230a_106832991635_100000692041 [0,2,0,0,0,0|1,0,1]=4 6525 B9R0.27 CNC(C)C(=O)C(=O)OC 34a_100102657272_100000692041 [0,2,0,0,0,0|1,0,1]=4 6526 B9R0.27 COC(=O)C(=O)C(C)OC 34a_100138415774_100000692041 [0,2,0,0,0,0|1,0,1]=4 6527 B9R0.27 COC(=O)C(=O)C(C)SC 62a_100000692041_200000210301 [0,2,0,0,0,0|1,0,1]=4 6528 B9R0.27 COC(=O)C(=O)C(C)SC 62a_200000210301_100000692041 [0,2,0,0,0,0|1,0,1]=4 6529 B9R0.27 COC(=O)C(=O)C(C)S[13CH3] 62a_100000692041_200025704644 [0,2,0,0,0,0|1,0,1]=4 6530 B9R0.27 COC(=O)C(=O)C(C)S[13CH3] 62a_200025704644_100000692041 [0,2,0,0,0,0|1,0,1]=4 6531 B9R0.27 COC(=O)C(C)C(=O)CF 1458a_100012027023_100015361967 [0,2,0,0,0,0|1,0,1]=4 6532 B9R0.27 COC(=O)C(C)C(=O)CO 1458a_100000210174_100000211248 [0,2,0,0,0,0|1,0,1]=4 6533 B9R0.27 COC(=O)C(C)N(C)CF 269982a_100000725243_100015361967 [0,2,0,0,0,0|2,0,0]=4 6534 B9R0.27 COC(=O)[C@@H](N)[C@@H](C)OC 34a_100000004424_200000210301 [0,2,0,0,0,0|1,0,0]=3 6535 B9R0.27 COC(=O)[C@@H](N)[C@@H](C)O[13CH3] 34a_100000004424_200025704644 [0,2,0,0,0,0|1,0,0]=3 6536 B9R0.37 C#CC(OC)C(C)CCC 34a_200011216176_200000210301 [0,2,0,0,0,0|1,0,1]=4 6537 B9R0.37 C#CC(OC)C(C)CCC 7a_200011216176_200000210301 [0,2,0,0,0,0|1,0,1]=4 6538 B9R0.37 C#CC(O[13CH3])C(C)CCC 34a_200011216176_200025704644 [0,2,0,0,0,0|1,0,1]=4 6539 B9R0.37 C#CC(O[13CH3])C(C)CCC 7a_200011216176_200025704644 [0,2,0,0,0,0|1,0,1]=4 6540 B9R0.37 CCCC(C)C(CC)OC 34a_200011218412_200000210301 [0,2,0,0,0,0|1,0,1]=4 6541 B9R0.37 CCCC(C)C(CC)OC 7a_200011218412_200000210301 [0,2,0,0,0,0|1,0,1]=4 6542 B9R0.37 CCCC(C)C(CC)O[13CH3] 34a_200011218412_200025704644 [0,2,0,0,0,0|1,0,1]=4 6543 B9R0.37 CCCC(C)C(CC)O[13CH3] 7a_200011218412_200025704644 [0,2,0,0,0,0|1,0,1]=4 6544 B9R0.60 CCCC(C)(C)C(=O)CC 1458a_100011215034_100000210202 [0,2,0,0,0,0|1,0,0]=3 6545 B9R0.60 CCCC(C)(C)C(=O)CF 1458a_100011215034_100015361967 [0,2,0,0,0,0|2,0,0]=4 6546 B9R0.60 CCCC(C)(C)C(=O)NC 11a_106832991635_100011215034 [0,2,0,0,0,0|1,0,0]=3 6547 B9R0.60 CCCC(C)(C)C(=O)NC 1626a_100102657272_100011215034 [0,2,0,0,0,0|1,0,0]=3 6548 B9R0.60 CCCC(C)(C)C(=O)NC 240690a_100102657272_100011215034 [0,2,0,0,0,0|1,0,0]=3 6549 B9R0.60 CCCC(C)(C)C(=O)NC 527a_100102657272_100011215034 [0,2,0,0,0,0|1,0,0]=3 6550 B9R0.60 CCNC(C)(C)C(=O)NC 2230a_100015525214_100000732697 [0,2,0,0,0,0|2,0,0]=4 6551 B9R0.60 CCNC(C)(C)C(=O)OC 2230a_100015525214_100000689032 [0,2,0,0,0,0|1,0,0]=3 6552 B9R0.60 CCNC(C)(F)C(=O)OC 2230a_100015525214_200009867631 [0,2,0,0,0,0|1,0,0]=3 6553 B9R0.60 CCOC(C)(C)C(=O)CC 1458a_100011458965_100000210202 [0,2,0,0,0,0|2,0,0]=4 6554 B9R0.60 CCOC(C)(C)C(=O)NC 11a_106832991635_100011458965 [0,2,0,0,0,0|2,0,0]=4 6555 B9R0.60 CCOC(C)(C)C(=O)NC 1626a_100102657272_100011458965 [0,2,0,0,0,0|2,0,0]=4 6556 B9R0.60 CCOC(C)(C)C(=O)NC 240690a_100102657272_100011458965 [0,2,0,0,0,0|2,0,0]=4 6557 B9R0.60 CCOC(C)(C)C(=O)NC 34a_100121572206_100000732697 [0,2,0,0,0,0|2,0,0]=4 6558 B9R0.60 CCOC(C)(C)C(=O)NC 527a_100102657272_100011458965 [0,2,0,0,0,0|2,0,0]=4 6559 B9R0.60 CCOC(C)(C)C(=O)OC 34a_100011217581_100000210202 [0,2,0,0,0,0|1,0,0]=3 6560 B9R0.60 CCOC(C)(C)C(=O)OC 7a_100011217581_100000210202 [0,2,0,0,0,0|1,0,0]=3 6561 B9R0.60 CCOC(C)(F)C(=O)OC 34a_100121572206_200009867631 [0,2,0,0,0,0|1,0,0]=3 6562 B9R0.60 CCOC(F)(F)C(=O)OC 34a_100121572206_100000211177 [0,2,0,0,0,0|1,0,0]=3 6563 B9R0.60 CCSC(C)(C)C(=O)NC 62a_100000210202_100000732697 [0,2,0,0,0,0|2,0,0]=4 6564 B9R0.60 CCSC(C)(C)C(=O)NC 62a_100000732697_100000210202 [0,2,0,0,0,0|2,0,0]=4 6565 B9R0.60 CCSC(C)(C)C(=O)OC 62a_100000210202_100000689032 [0,2,0,0,0,0|1,0,0]=3 6566 B9R0.60 CCSC(C)(C)C(=O)OC 62a_100000689032_100000210202 [0,2,0,0,0,0|1,0,0]=3 6567 B9R0.60 CCSC(C)(F)C(=O)OC 62a_100000210202_200009867631 [0,2,0,0,0,0|1,0,0]=3 6568 B9R0.60 CCSC(C)(F)C(=O)OC 62a_200009867631_100000210202 [0,2,0,0,0,0|1,0,0]=3 6569 B9R0.60 CCSC(F)(F)C(=O)OC 62a_100000210202_100000211177 [0,2,0,0,0,0|1,0,0]=3 6570 B9R0.60 CCSC(F)(F)C(=O)OC 62a_100000211177_100000210202 [0,2,0,0,0,0|1,0,0]=3 6571 B9R0.60 CNC(=O)C(C)(C)COC 34a_100138415774_100000702813 [0,2,0,0,0,0|2,0,0]=4 6572 B9R0.60 CNC(=O)C(C)(C)CSC 62a_100000702813_200000210301 [0,2,0,0,0,0|2,0,0]=4 6573 B9R0.60 CNC(=O)C(C)(C)CSC 62a_200000210301_100000702813 [0,2,0,0,0,0|2,0,0]=4 6574 B9R0.60 CNC(=O)C(C)(C)CS[13CH3] 62a_100000702813_200025704644 [0,2,0,0,0,0|2,0,0]=4 6575 B9R0.60 CNC(=O)C(C)(C)CS[13CH3] 62a_200025704644_100000702813 [0,2,0,0,0,0|2,0,0]=4 6576 B9R0.60 CNCC(C)(C)C(=O)NC 34a_100102657272_100000702813 [0,2,0,0,0,0|2,0,0]=4 6577 B9R0.60 CNCC(F)(F)C(=O)OC 34a_100102657272_100010295740 [0,2,0,0,0,0|1,0,0]=3 6578 B9R0.60 COC(=O)C(C)(C)CO[13CH3] 34a_100000709632_200025704644 [0,2,0,0,0,0|1,0,0]=3 6579 B9R0.60 COC(=O)C(C)(C)CO[13CH3] 7a_100000709632_200025704644 [0,2,0,0,0,0|1,0,0]=3 6580 B9R0.60 COC(=O)C(C)(C)CSC 62a_100000684552_200000210301 [0,2,0,0,0,0|1,0,0]=3 6581 B9R0.60 COC(=O)C(C)(C)CSC 62a_200000210301_100000684552 [0,2,0,0,0,0|1,0,0]=3 6582 B9R0.60 COC(=O)C(C)(C)CS[13CH3] 62a_100000684552_200025704644 [0,2,0,0,0,0|1,0,0]=3 6583 B9R0.60 COC(=O)C(C)(C)CS[13CH3] 62a_200025704644_100000684552 [0,2,0,0,0,0|1,0,0]=3 6584 B9R0.60 COC(=O)C(C)(C)OCF 34a_100011217581_100015361967 [0,2,0,0,0,0|2,0,0]=4 6585 B9R0.60 COC(=O)C(C)(C)OCF 7a_100011217581_100015361967 [0,2,0,0,0,0|2,0,0]=4 6586 B9R0.60 COC(=O)C(C)(C)SCF 62a_100000689032_100015361967 [0,2,0,0,0,0|2,0,0]=4 6587 B9R0.60 COC(=O)C(C)(C)SCF 62a_100015361967_100000689032 [0,2,0,0,0,0|2,0,0]=4 6588 B9R0.60 COC(=O)C(C)(F)SCF 62a_100015361967_200009867631 [0,2,0,0,0,0|2,0,0]=4 6589 B9R0.60 COC(=O)C(C)(F)SCF 62a_200009867631_100015361967 [0,2,0,0,0,0|2,0,0]=4 6590 B9R0.60 COC(=O)C(F)(F)CSC 62a_100010295740_200000210301 [0,2,0,0,0,0|1,0,0]=3 6591 B9R0.60 COC(=O)C(F)(F)CSC 62a_200000210301_100010295740 [0,2,0,0,0,0|1,0,0]=3 6592 B9R0.60 COC(=O)C(F)(F)CS[13CH3] 62a_100010295740_200025704644 [0,2,0,0,0,0|1,0,0]=3 6593 B9R0.60 COC(=O)C(F)(F)CS[13CH3] 62a_200025704644_100010295740 [0,2,0,0,0,0|1,0,0]=3 6594 B9R0.60 COC(=O)C(F)(F)SCF 62a_100000211177_100015361967 [0,2,0,0,0,0|2,0,0]=4 6595 B9R0.60 COC(=O)C(F)(F)SCF 62a_100015361967_100000211177 [0,2,0,0,0,0|2,0,0]=4 6596 B9R0.60 COCC(C)(C)C(=O)OC 34a_100000709632_200000210301 [0,2,0,0,0,0|1,0,0]=3 6597 B9R0.60 COCC(C)(C)C(=O)OC 7a_100000709632_200000210301 [0,2,0,0,0,0|1,0,0]=3 6598 B9R0.60 COCC(F)(F)C(=O)OC 34a_100138415774_100010295740 [0,2,0,0,0,0|1,0,0]=3 6599 B9R0.1 C#CC(=O)CCCC(=O)C 1458a_100000211873_100011215641 [0,2,0,0,0,0|1,0,1]=4 6600 B9R0.1 C#CC(=O)CCCC(C)C 1458a_100000211873_100011214892 [0,2,0,0,0,0|1,0,1]=4 6601 B9R0.1 C#CC(=O)CCCC(C)O 1458a_100000211873_200000718107 [0,2,0,0,0,0|1,0,1]=4 6602 B9R0.1 C#CC(=O)CCCN(C)C 1458a_100000211873_100000695564 [0,2,0,0,0,0|1,0,1]=4 6603 B9R0.1 C#CC(=O)CCOC(C)C 1458a_100000211873_100000211751 [0,2,0,0,0,0|1,0,1]=4 6604 B9R0.1 C#CC(=O)CCSC(C)C 1458a_100000211873_100000730970 [0,2,0,0,0,0|1,0,1]=4 6605 B9R0.1 C=C(C)CNCC(=O)NC 2230a_100000693194_100000748629 [0,2,0,0,0,0|1,0,1]=4 6606 B9R0.1 C=C(C)COCC(=O)CC 34a_100000725409_100000748629 [0,2,0,0,0,0|1,0,1]=4 6607 B9R0.1 C=C(C)COCC(=O)NC 34a_100000210245_100000183359 [0,2,0,0,0,0|1,0,1]=4 6608 B9R0.1 C=C(C)COCC(=O)NC 34a_100000750040_100000748629 [0,2,0,0,0,0|1,0,1]=4 6609 B9R0.1 C=C(C)COCC(=O)OC 34a_100000210245_100000747449 [0,2,0,0,0,0|0,0,1]=3 6610 B9R0.1 C=C(C)CSCC(=O)CC 62a_100000747405_100000211660 [0,2,0,0,0,0|1,0,1]=4 6611 B9R0.1 C=C(C)CSCC(=O)CC 62a_100000748629_100000747405 [0,2,0,0,0,0|1,0,1]=4 6612 B9R0.1 C=C(C)CSCC(=O)NC 62a_100000183359_100000211660 [0,2,0,0,0,0|1,0,1]=4 6613 B9R0.1 C=C(C)CSCC(=O)NC 62a_100000748629_100000183359 [0,2,0,0,0,0|1,0,1]=4 6614 B9R0.1 C=C(C)CSCC(=O)OC 62a_100000747449_100000211660 [0,2,0,0,0,0|0,0,1]=3 6615 B9R0.1 C=C(C)CSCC(=O)OC 62a_100000748629_100000747449 [0,2,0,0,0,0|0,0,1]=3 6616 B9R0.1 C=C(F)COCC(=O)OC 34a_200010262243_100000747449 [0,2,0,0,0,0|0,0,2]=4 6617 B9R0.1 C=C(F)CSCC(=O)OC 62a_100000042424_100000747449 [0,2,0,0,0,0|0,0,2]=4 6618 B9R0.1 C=C(F)CSCC(=O)OC 62a_100000747449_100000042424 [0,2,0,0,0,0|0,0,2]=4 6619 B9R0.1 C=CC(=O)CCCC(=O)C 1458a_100000185746_100011215641 [0,2,0,0,0,0|1,0,1]=4 6620 B9R0.1 C=CC(=O)CCCC(C)C 1458a_100000185746_100011214892 [0,2,0,0,0,0|1,0,1]=4 6621 B9R0.1 C=CC(=O)CCCC(C)O 1458a_100000185746_200000718107 [0,2,0,0,0,0|1,0,1]=4 6622 B9R0.1 C=CC(=O)CCCN(C)C 1458a_100000185746_100000695564 [0,2,0,0,0,0|1,0,1]=4 6623 B9R0.1 C=CC(=O)CCOC(C)C 1458a_100000185746_100000211751 [0,2,0,0,0,0|1,0,1]=4 6624 B9R0.1 C=CC(=O)CCSC(C)C 1458a_100000185746_100000730970 [0,2,0,0,0,0|1,0,1]=4 6625 B9R0.1 C=CC(=O)NCCC(C)C 1626a_100000210545_100000185746 [0,2,0,0,0,0|1,0,1]=4 6626 B9R0.1 C=CC(=O)NCCC(C)C 240690a_100000210545_200121576911 [0,2,0,0,0,0|1,0,1]=4 6627 B9R0.1 C=CC(=O)NCCC(C)O 240690a_200000755665_200121576911 [0,2,0,0,0,0|1,0,1]=4 6628 B9R0.1 CC(=O)CCCC(=O)CO 1458a_100000210174_100011215641 [0,2,0,0,0,0|2,0,0]=4 6629 B9R0.1 CC(C)CCCC(=O)CF 1458a_100011216857_100015361967 [0,2,0,0,0,0|2,0,0]=4 6630 B9R0.1 CC(C)CCCC(=O)CO 1458a_100000210174_100011214892 [0,2,0,0,0,0|2,0,0]=4 6631 B9R0.1 CC(C)CCCC(C)O[13CH3] 34a_200011218570_200025704644 [0,2,0,0,0,0|1,0,1]=4 6632 B9R0.1 CC(C)CCCC(C)O[13CH3] 7a_200011218570_200025704644 [0,2,0,0,0,0|1,0,1]=4 6633 B9R0.1 CC(C)CCNC(=O)CO 240690a_100000210545_100000210174 [0,2,0,0,0,0|2,0,0]=4 6634 B9R0.1 CC(C)CCNC(=O)CO 527a_100000210545_100000210174 [0,2,0,0,0,0|2,0,0]=4 6635 B9R0.1 CC(C)COCC(=O)CF 1458a_100011223364_100015361967 [0,2,0,0,0,0|2,0,0]=4 6636 B9R0.1 CC(C)OCCC(=O)CO 1458a_100000210174_100000211751 [0,2,0,0,0,0|2,0,0]=4 6637 B9R0.1 CC(C)SCCC(=O)CO 1458a_100000210174_100000730970 [0,2,0,0,0,0|2,0,0]=4 6638 B9R0.1 CC(O)CCCC(=O)CO 1458a_100000210174_200000718107 [0,2,0,0,0,0|2,0,0]=4 6639 B9R0.1 CC(O)CCNC(=O)CO 240690a_200000755665_100000210174 [0,2,0,0,0,0|2,0,0]=4 6640 B9R0.1 CC(O)CCNC(=O)CO 527a_200000755665_100000210174 [0,2,0,0,0,0|2,0,0]=4 6641 B9R0.1 CCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210202 [0,2,0,0,0,0|1,0,1]=4 6642 B9R0.1 CCC(=O)CCC=C(C)C 1458a_100000210414_100011217483 [0,2,0,0,0,0|1,0,1]=4 6643 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [0,2,0,0,0,0|1,0,0]=3 6644 B9R0.1 CCC(=O)CCCC(=O)N 1458a_100000210414_100102525003 [0,2,0,0,0,0|1,0,1]=4 6645 B9R0.1 CCC(=O)CCCC(C)C 1458a_100000210414_100011214892 [0,2,0,0,0,0|1,0,0]=3 6646 B9R0.1 CCC(=O)CCCC(C)C 1458a_100011216857_100000210202 [0,2,0,0,0,0|1,0,0]=3 6647 B9R0.1 CCC(=O)CCCC(C)O 1458a_100000210414_200000718107 [0,2,0,0,0,0|1,0,0]=3 6648 B9R0.1 CCC(=O)CCCN(C)C 1458a_100000210414_100000695564 [0,2,0,0,0,0|1,0,0]=3 6649 B9R0.1 CCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210202 [0,2,0,0,0,0|2,0,0]=4 6650 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000183196_100000210202 [0,2,0,0,0,0|1,0,1]=4 6651 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000210414_100000189650 [0,2,0,0,0,0|1,0,1]=4 6652 B9R0.1 CCC(=O)CCOC(=O)C 1458a_100000210414_100009814007 [0,2,0,0,0,0|1,0,1]=4 6653 B9R0.1 CCC(=O)CCOC(C)C 1458a_100000210414_100000211751 [0,2,0,0,0,0|1,0,0]=3 6654 B9R0.1 CCC(=O)CCSC(=O)C 1458a_100000048949_100000210202 [0,2,0,0,0,0|1,0,1]=4 6655 B9R0.1 CCC(=O)CCSC(C)C 1458a_100000210414_100000730970 [0,2,0,0,0,0|1,0,0]=3 6656 B9R0.1 CCC(=O)COCC(C)C 1458a_100011223364_100000210202 [0,2,0,0,0,0|1,0,0]=3 6657 B9R0.1 CCC(=O)COCC(C)C 34a_100000725409_100000210624 [0,2,0,0,0,0|1,0,0]=3 6658 B9R0.1 CCC(=O)COCC(C)O 34a_100000725409_100011218427 [0,2,0,0,0,0|1,0,0]=3 6659 B9R0.1 CCC(=O)COCC(F)F 34a_100000725409_100011934356 [0,2,0,0,0,0|2,0,0]=4 6660 B9R0.1 CCC(=O)COC[C@@H](C)O 34a_100000725409_100009817552 [0,2,0,0,0,0|1,0,0]=3 6661 B9R0.1 CCC(=O)CSCC(C)C 62a_100000210624_100000747405 [0,2,0,0,0,0|1,0,0]=3 6662 B9R0.1 CCC(=O)CSCC(C)C 62a_100000747405_100000210760 [0,2,0,0,0,0|1,0,0]=3 6663 B9R0.1 CCC(=O)CSCC(C)O 62a_100000747405_100011218427 [0,2,0,0,0,0|1,0,0]=3 6664 B9R0.1 CCC(=O)CSCC(C)O 62a_100011218427_100000747405 [0,2,0,0,0,0|1,0,0]=3 6665 B9R0.1 CCC(=O)CSCC(F)F 62a_100000747405_100011934356 [0,2,0,0,0,0|2,0,0]=4 6666 B9R0.1 CCC(=O)CSCC(F)F 62a_100011934356_100000747405 [0,2,0,0,0,0|2,0,0]=4 6667 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100000747405_100009817552 [0,2,0,0,0,0|1,0,0]=3 6668 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747405 [0,2,0,0,0,0|1,0,0]=3 6669 B9R0.1 CCC(=O)NCCC(C)C 11a_100000210545_100000210414 [0,2,0,0,0,0|1,0,0]=3 6670 B9R0.1 CCC(=O)NCCC(C)C 1626a_100000210545_100000210414 [0,2,0,0,0,0|1,0,0]=3 6671 B9R0.1 CCC(=O)NCCC(C)C 240690a_100000210545_100000210414 [0,2,0,0,0,0|1,0,0]=3 6672 B9R0.1 CCC(=O)NCCC(C)C 527a_100000210545_100000210414 [0,2,0,0,0,0|1,0,0]=3 6673 B9R0.1 CCC(=O)NCCC(C)O 240690a_200000755665_100000210414 [0,2,0,0,0,0|1,0,0]=3 6674 B9R0.1 CCC(=O)NCCC(C)O 527a_200000755665_100000210414 [0,2,0,0,0,0|1,0,0]=3 6675 B9R0.1 CCC(=O)NCCN(C)C 240690a_100000210585_100000210414 [0,2,0,0,0,0|2,0,0]=4 6676 B9R0.1 CCC(=O)NCCN(C)C 527a_100000210585_100000210414 [0,2,0,0,0,0|2,0,0]=4 6677 B9R0.1 CCC(=O)NNCC(C)C 22a_100000696102_100000210414 [0,2,0,0,0,0|2,0,0]=4 6678 B9R0.1 CCC(=O)NNCC(C)O 22a_200000730056_100000210414 [0,2,0,0,0,0|2,0,0]=4 6679 B9R0.1 CN(C)CCCC(=O)CO 1458a_100000210174_100000695564 [0,2,0,0,0,0|2,0,0]=4 6680 B9R0.1 CNC(=O)C/C=C/C(C)C 11a_106832991635_100016292215 [0,2,0,0,0,0|1,0,1]=4 6681 B9R0.1 CNC(=O)C/C=C/C(C)C 1626a_100102657272_100016292215 [0,2,0,0,0,0|1,0,1]=4 6682 B9R0.1 CNC(=O)C/C=C/C(C)C 240690a_100102657272_100016292215 [0,2,0,0,0,0|1,0,1]=4 6683 B9R0.1 CNC(=O)CCCC(=O)C 1458a_100000070787_100000741757 [0,2,0,0,0,0|1,0,0]=3 6684 B9R0.1 CNC(=O)CCCC(C)C 11a_106832991635_100011216857 [0,2,0,0,0,0|1,0,0]=3 6685 B9R0.1 CNC(=O)CCCC(C)C 1626a_100102657272_100011216857 [0,2,0,0,0,0|1,0,0]=3 6686 B9R0.1 CNC(=O)CCCC(C)C 240690a_100102657272_100011216857 [0,2,0,0,0,0|1,0,0]=3 6687 B9R0.1 CNC(=O)CCCC(C)C 527a_100102657272_100011216857 [0,2,0,0,0,0|1,0,0]=3 6688 B9R0.1 CNC(=O)CCCC(C)O 1626a_100102657272_100000761597 [0,2,0,0,0,0|1,0,0]=3 6689 B9R0.1 CNC(=O)CCCC(C)O 527a_100102657272_100000761597 [0,2,0,0,0,0|1,0,0]=3 6690 B9R0.1 CNC(=O)CCCN(C)C 11a_106832991635_100000740757 [0,2,0,0,0,0|1,0,0]=3 6691 B9R0.1 CNC(=O)CCCN(C)C 2230a_100102631434_100000741757 [0,2,0,0,0,0|1,0,0]=3 6692 B9R0.1 CNC(=O)CCCN(C)C 240690a_100102657272_100000740757 [0,2,0,0,0,0|1,0,0]=3 6693 B9R0.1 CNC(=O)CCCN(C)C 269982a_100102631434_100000741757 [0,2,0,0,0,0|1,0,0]=3 6694 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 11a_106832991635_100016109205 [0,2,0,0,0,0|2,0,0]=4 6695 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 1626a_100102657272_100016109205 [0,2,0,0,0,0|2,0,0]=4 6696 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 240690a_100102657272_100016109205 [0,2,0,0,0,0|2,0,0]=4 6697 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 527a_100102657272_100016109205 [0,2,0,0,0,0|2,0,0]=4 6698 B9R0.1 CNC(=O)CCNC(=O)C 11a_100000738227_100015343762 [0,2,0,0,0,0|1,0,1]=4 6699 B9R0.1 CNC(=O)CCNC(=O)C 11a_106832991635_100000183196 [0,2,0,0,0,0|1,0,1]=4 6700 B9R0.1 CNC(=O)CCNC(=O)C 1626a_100102657272_100000183196 [0,2,0,0,0,0|1,0,1]=4 6701 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100000738227_100015343762 [0,2,0,0,0,0|1,0,1]=4 6702 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100102657272_100000183196 [0,2,0,0,0,0|1,0,1]=4 6703 B9R0.1 CNC(=O)CCNC(=O)C 527a_100000738227_100103153847 [0,2,0,0,0,0|1,0,1]=4 6704 B9R0.1 CNC(=O)CCNC(=O)C 527a_100102657272_100000183196 [0,2,0,0,0,0|1,0,1]=4 6705 B9R0.1 CNC(=O)CCNC(C)C 2230a_100000738227_100000210206 [0,2,0,0,0,0|1,0,0]=3 6706 B9R0.1 CNC(=O)CCNC(C)C 2230a_100138425928_100000737683 [0,2,0,0,0,0|1,0,0]=3 6707 B9R0.1 CNC(=O)CCNC(C)C 34a_100000738227_100000210206 [0,2,0,0,0,0|1,0,0]=3 6708 B9R0.1 CNC(=O)CCNC(C)C 34a_100138425928_100012179268 [0,2,0,0,0,0|1,0,0]=3 6709 B9R0.1 CNC(=O)CCOC(C)C 34a_100000212225_100012179268 [0,2,0,0,0,0|1,0,0]=3 6710 B9R0.1 CNC(=O)CCOC(C)C 34a_100000754576_100000210206 [0,2,0,0,0,0|1,0,0]=3 6711 B9R0.1 CNC(=O)CCSC(=O)C 1626a_100102657272_100000048949 [0,2,0,0,0,0|1,0,1]=4 6712 B9R0.1 CNC(=O)CCSC(=O)C 240690a_100102657272_100000048949 [0,2,0,0,0,0|1,0,1]=4 6713 B9R0.1 CNC(=O)CCSC(C)C 62a_100000210206_100000737683 [0,2,0,0,0,0|1,0,0]=3 6714 B9R0.1 CNC(=O)CCSC(C)C 62a_100000737683_100000210206 [0,2,0,0,0,0|1,0,0]=3 6715 B9R0.1 CNC(=O)CNCC(C)C 2230a_100000210953_100000183359 [0,2,0,0,0,0|1,0,0]=3 6716 B9R0.1 CNC(=O)CNCC(C)C 2230a_100000693194_100000210760 [0,2,0,0,0,0|1,0,0]=3 6717 B9R0.1 CNC(=O)CNCC(C)C 270004a_100000693194_100000210432 [0,2,0,0,0,0|1,0,0]=3 6718 B9R0.1 CNC(=O)CNCC(C)C 34a_100000210953_100000183359 [0,2,0,0,0,0|1,0,0]=3 6719 B9R0.1 CNC(=O)CNCC(C)O 2230a_100000210904_100000183359 [0,2,0,0,0,0|1,0,0]=3 6720 B9R0.1 CNC(=O)CNCC(C)O 2230a_100000693194_100011218427 [0,2,0,0,0,0|1,0,0]=3 6721 B9R0.1 CNC(=O)CNCC(C)O 34a_100000210904_100000183359 [0,2,0,0,0,0|1,0,0]=3 6722 B9R0.1 CNC(=O)CNCC(F)F 2230a_100000693194_100011934356 [0,2,0,0,0,0|2,0,0]=4 6723 B9R0.1 CNC(=O)CNCC(F)F 34a_100000765723_100000183359 [0,2,0,0,0,0|2,0,0]=4 6724 B9R0.1 CNC(=O)CNC[C@@H](C)O 2230a_100000693194_100009817552 [0,2,0,0,0,0|1,0,0]=3 6725 B9R0.1 CNC(=O)COCC(=O)C 34a_100000211253_100000183359 [0,2,0,0,0,0|1,0,1]=4 6726 B9R0.1 CNC(=O)COCC(C)Br 34a_100012180447_100000183359 [0,2,0,0,0,0|1,0,0]=3 6727 B9R0.1 CNC(=O)COCC(C)C 11a_106832991635_100011223364 [0,2,0,0,0,0|1,0,0]=3 6728 B9R0.1 CNC(=O)COCC(C)C 1626a_100102657272_100011223364 [0,2,0,0,0,0|1,0,0]=3 6729 B9R0.1 CNC(=O)COCC(C)C 240690a_100102657272_100011223364 [0,2,0,0,0,0|1,0,0]=3 6730 B9R0.1 CNC(=O)COCC(C)C 34a_100000210257_100000183359 [0,2,0,0,0,0|1,0,0]=3 6731 B9R0.1 CNC(=O)COCC(C)C 34a_100000750040_100000210624 [0,2,0,0,0,0|1,0,0]=3 6732 B9R0.1 CNC(=O)COCC(C)C 527a_100102657272_100011223364 [0,2,0,0,0,0|1,0,0]=3 6733 B9R0.1 CNC(=O)COCC(C)F 34a_100015925927_100000183359 [0,2,0,0,0,0|1,0,0]=3 6734 B9R0.1 CNC(=O)COCC(C)O 34a_100000750040_100011218427 [0,2,0,0,0,0|1,0,0]=3 6735 B9R0.1 CNC(=O)COCC(F)F 34a_100000743014_100000183359 [0,2,0,0,0,0|2,0,0]=4 6736 B9R0.1 CNC(=O)COCC(F)F 34a_100000750040_100011934356 [0,2,0,0,0,0|2,0,0]=4 6737 B9R0.1 CNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183359 [0,2,0,0,0,0|1,0,0]=3 6738 B9R0.1 CNC(=O)COC[C@@H](C)N 34a_100000737577_100000183359 [0,2,0,0,0,0|1,0,0]=3 6739 B9R0.1 CNC(=O)COC[C@@H](C)O 34a_100000750040_100009817552 [0,2,0,0,0,0|1,0,0]=3 6740 B9R0.1 CNC(=O)CSCC(C)C 62a_100000183359_100000210760 [0,2,0,0,0,0|1,0,0]=3 6741 B9R0.1 CNC(=O)CSCC(C)C 62a_100000210624_100000183359 [0,2,0,0,0,0|1,0,0]=3 6742 B9R0.1 CNC(=O)CSCC(C)O 62a_100000183359_100011218427 [0,2,0,0,0,0|1,0,0]=3 6743 B9R0.1 CNC(=O)CSCC(C)O 62a_100011218427_100000183359 [0,2,0,0,0,0|1,0,0]=3 6744 B9R0.1 CNC(=O)CSCC(F)F 62a_100000183359_100011934356 [0,2,0,0,0,0|2,0,0]=4 6745 B9R0.1 CNC(=O)CSCC(F)F 62a_100011934356_100000183359 [0,2,0,0,0,0|2,0,0]=4 6746 B9R0.1 CNC(=O)CSC[C@@H](C)O 62a_100000183359_100009817552 [0,2,0,0,0,0|1,0,0]=3 6747 B9R0.1 CNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183359 [0,2,0,0,0,0|1,0,0]=3 6748 B9R0.1 CNC(=O)NCCC(C)C 2708a_100000210545_106832991635 [0,2,0,0,0,0|1,0,0]=3 6749 B9R0.1 CNC(=O)NCCC(C)C 2708a_100102657272_100000210545 [0,2,0,0,0,0|1,0,0]=3 6750 B9R0.1 CNC(=O)NCCC(C)C 273464a_100000210545_100102657272 [0,2,0,0,0,0|1,0,0]=3 6751 B9R0.1 CNC(=O)NCCC(C)C 273464a_100102657272_100000210545 [0,2,0,0,0,0|1,0,0]=3 6752 B9R0.1 CNC(=O)NCCC(C)C 512a_100000210545_100102657272 [0,2,0,0,0,0|1,0,0]=3 6753 B9R0.1 CNC(=O)NCCC(C)C 512a_106832991638_100000210545 [0,2,0,0,0,0|1,0,0]=3 6754 B9R0.1 CNC(=O)NCCC(C)O 2708a_100102657272_200000755665 [0,2,0,0,0,0|1,0,0]=3 6755 B9R0.1 CNC(=O)NCCC(C)O 273464a_200000755665_100102657272 [0,2,0,0,0,0|1,0,0]=3 6756 B9R0.1 CNC(=O)NCCC(C)O 512a_106832991638_200000755665 [0,2,0,0,0,0|1,0,0]=3 6757 B9R0.1 CNC(=O)NCCC(C)O 512a_200000755665_100102657272 [0,2,0,0,0,0|1,0,0]=3 6758 B9R0.1 CNC(=O)NCCN(C)C 2708a_100102657272_100000210585 [0,2,0,0,0,0|2,0,0]=4 6759 B9R0.1 CNC(=O)NCCN(C)C 273464a_100000210585_100102657272 [0,2,0,0,0,0|2,0,0]=4 6760 B9R0.1 CNC(=O)NCCN(C)C 273464a_100102657272_100000210585 [0,2,0,0,0,0|2,0,0]=4 6761 B9R0.1 CNC(=O)NCCN(C)C 512a_106832991638_100000210585 [0,2,0,0,0,0|2,0,0]=4 6762 B9R0.1 CNC(=O)NNCC(C)C 273464a_100102657272_100000696102 [0,2,0,0,0,0|2,0,0]=4 6763 B9R0.1 CNC(=O)NNCC(C)C 512a_100000696102_100102657272 [0,2,0,0,0,0|2,0,0]=4 6764 B9R0.1 CNC(=O)NNCC(C)C 512a_106832991638_100000696102 [0,2,0,0,0,0|2,0,0]=4 6765 B9R0.1 CNC(=O)NNCC(C)O 512a_106832991638_200000730056 [0,2,0,0,0,0|2,0,0]=4 6766 B9R0.1 CNC(=O)NNCC(C)O 512a_200000730056_100102657272 [0,2,0,0,0,0|2,0,0]=4 6767 B9R0.1 CNC(=O)OCCC(=O)C 1458a_100000070787_200011997002 [0,2,0,0,0,0|1,0,1]=4 6768 B9R0.1 CNC(=O)OCCN(C)C 269982a_100102631434_200011997002 [0,2,0,0,0,0|2,0,0]=4 6769 B9R0.1 COC(=O)/C=C/CN(C)C 2230a_100102631434_100000742655 [0,2,0,0,0,0|0,0,2]=4 6770 B9R0.1 COC(=O)/C=C/CN(C)C 269982a_100102631434_100000742655 [0,2,0,0,0,0|0,0,2]=4 6771 B9R0.1 COC(=O)C=NNC(C)C 4a_100000741168_200011823558 [0,2,0,0,0,0|1,0,1]=4 6772 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000070787_100011218270 [0,2,0,0,0,0|0,0,0]=2 6773 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000239890_200000210301 [0,2,0,0,0,0|0,0,0]=2 6774 B9R0.1 COC(=O)CCCC(=O)[13CH3] 1458a_100000239890_200025704644 [0,2,0,0,0,0|0,0,0]=2 6775 B9R0.1 COC(=O)CCCN(C)C 2230a_100102631434_100011218270 [0,2,0,0,0,0|0,0,0]=2 6776 B9R0.1 COC(=O)CCCN(C)C 269982a_100000739225_200000210301 [0,2,0,0,0,0|0,0,0]=2 6777 B9R0.1 COC(=O)CCCN(C)C 269982a_100102631434_100011218270 [0,2,0,0,0,0|0,0,0]=2 6778 B9R0.1 COC(=O)CCCN(C)[13CH3] 269982a_100000739225_200025704644 [0,2,0,0,0,0|0,0,0]=2 6779 B9R0.1 COC(=O)CCNC(=O)C 188690a_100000683876_100015343762 [0,2,0,0,0,0|0,0,1]=3 6780 B9R0.1 COC(=O)CCNC(C)C 2230a_100138425928_100000204255 [0,2,0,0,0,0|0,0,0]=2 6781 B9R0.1 COC(=O)CCNC(C)C 34a_100138425928_100000742370 [0,2,0,0,0,0|0,0,0]=2 6782 B9R0.1 COC(=O)CCOC(C)C 34a_100000212225_100000742370 [0,2,0,0,0,0|0,0,0]=2 6783 B9R0.1 COC(=O)CCSC(C)C 62a_100000204255_100000210206 [0,2,0,0,0,0|0,0,0]=2 6784 B9R0.1 COC(=O)CCSC(C)C 62a_100000210206_100000204255 [0,2,0,0,0,0|0,0,0]=2 6785 B9R0.1 COC(=O)CNCC(=O)N 2230a_100000711301_100000747449 [0,2,0,0,0,0|1,0,1]=4 6786 B9R0.1 COC(=O)CNCC(=O)O 269956a_100016091260_100000747449 [0,2,0,0,0,0|1,0,1]=4 6787 B9R0.1 COC(=O)CNCC(C)C 2230a_100000210953_100000747449 [0,2,0,0,0,0|0,0,0]=2 6788 B9R0.1 COC(=O)CNCC(C)C 34a_100000210953_100000747449 [0,2,0,0,0,0|0,0,0]=2 6789 B9R0.1 COC(=O)CNCC(C)O 2230a_100000210904_100000747449 [0,2,0,0,0,0|0,0,0]=2 6790 B9R0.1 COC(=O)CNCC(C)O 34a_100000210904_100000747449 [0,2,0,0,0,0|0,0,0]=2 6791 B9R0.1 COC(=O)CNCC(F)F 34a_100000765723_100000747449 [0,2,0,0,0,0|1,0,0]=3 6792 B9R0.1 COC(=O)COCC(=O)C 34a_100000211253_100000747449 [0,2,0,0,0,0|0,0,1]=3 6793 B9R0.1 COC(=O)COCC(C)Br 34a_100012180447_100000747449 [0,2,0,0,0,0|0,0,0]=2 6794 B9R0.1 COC(=O)COCC(C)C 34a_100000210257_100000747449 [0,2,0,0,0,0|0,0,0]=2 6795 B9R0.1 COC(=O)COCC(C)F 34a_100015925927_100000747449 [0,2,0,0,0,0|0,0,0]=2 6796 B9R0.1 COC(=O)COCC(F)F 34a_100000743014_100000747449 [0,2,0,0,0,0|1,0,0]=3 6797 B9R0.1 COC(=O)COC[C@@H](C)Cl 34a_100016084084_100000747449 [0,2,0,0,0,0|0,0,0]=2 6798 B9R0.1 COC(=O)COC[C@@H](C)N 34a_100000737577_100000747449 [0,2,0,0,0,0|0,0,0]=2 6799 B9R0.1 COC(=O)CSCC(=O)C 1458a_100000191316_200000210301 [0,2,0,0,0,0|0,0,1]=3 6800 B9R0.1 COC(=O)CSCC(=O)N 62a_100000747449_100000747473 [0,2,0,0,0,0|1,0,1]=4 6801 B9R0.1 COC(=O)CSCC(=O)N 62a_100000747473_100000747449 [0,2,0,0,0,0|1,0,1]=4 6802 B9R0.1 COC(=O)CSCC(=O)[13CH3] 1458a_100000191316_200025704644 [0,2,0,0,0,0|0,0,1]=3 6803 B9R0.1 COC(=O)CSCC(=O)[O-] 62a_100000747449_100020667443 [0,2,0,0,0,0|1,0,1]=4 6804 B9R0.1 COC(=O)CSCC(=O)[O-] 62a_100020667443_100000747449 [0,2,0,0,0,0|1,0,1]=4 6805 B9R0.1 COC(=O)CSCC(C)C 62a_100000210624_100000747449 [0,2,0,0,0,0|0,0,0]=2 6806 B9R0.1 COC(=O)CSCC(C)C 62a_100000747449_100000210760 [0,2,0,0,0,0|0,0,0]=2 6807 B9R0.1 COC(=O)CSCC(C)O 62a_100000747449_100011218427 [0,2,0,0,0,0|0,0,0]=2 6808 B9R0.1 COC(=O)CSCC(C)O 62a_100011218427_100000747449 [0,2,0,0,0,0|0,0,0]=2 6809 B9R0.1 COC(=O)CSCC(F)F 62a_100000747449_100011934356 [0,2,0,0,0,0|1,0,0]=3 6810 B9R0.1 COC(=O)CSCC(F)F 62a_100011934356_100000747449 [0,2,0,0,0,0|1,0,0]=3 6811 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100000747449_100009817552 [0,2,0,0,0,0|0,0,0]=2 6812 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100009817552_100000747449 [0,2,0,0,0,0|0,0,0]=2 6813 B9R0.1 COC(=O)CSC[N+](=O)[O-] 62a_100000747449_100000761209 [0,2,0,0,0,0|2,0,0]=4 6814 B9R0.1 COC(=O)OCSC(C)C 62a_100000210206_100000139417 [0,2,0,0,0,0|1,0,0]=3 6815 B9R0.1 COC(C)CCCC(C)C 34a_200011218570_200000210301 [0,2,0,0,0,0|1,0,1]=4 6816 B9R0.1 COC(C)CCCC(C)C 7a_200011218570_200000210301 [0,2,0,0,0,0|1,0,1]=4 6817 B9R0.1 COC(C)CCOC(C)C 7a_100000764861_100000210206 [0,2,0,0,0,0|1,0,1]=4 6818 B9R0.1 COC(C)COCC(C)C 34a_100000690652_100000210624 [0,2,0,0,0,0|1,0,1]=4 6819 B9R0.1 COC(C)COCC(C)O 34a_100000690652_100011218427 [0,2,0,0,0,0|1,0,1]=4 6820 B9R0.1 COC(C)COC[C@@H](C)O 34a_100000690652_100009817552 [0,2,0,0,0,0|1,0,1]=4 6821 B9R0.1 COC(C)SCCC(C)C 62a_100000210312_100009879195 [0,2,0,0,0,0|1,0,1]=4 6822 B9R0.1 COC(C)SCCC(C)C 62a_100009879195_100000210312 [0,2,0,0,0,0|1,0,1]=4 6823 B9R0.1 COC(C)SCCC(C)O 62a_100009879195_100012276601 [0,2,0,0,0,0|1,0,1]=4 6824 B9R0.1 COC(C)SCCC(C)O 62a_100012276601_100009879195 [0,2,0,0,0,0|1,0,1]=4 6825 B9R0.1 CO[C@H](C)CNCC(C)C 2230a_100020591295_100000210760 [0,2,0,0,0,0|1,0,1]=4 6826 B9R0.1 CO[C@H](C)CNCC(C)C 270004a_100020591295_100000210432 [0,2,0,0,0,0|1,0,1]=4 6827 B9R0.1 CO[C@H](C)CNCC(C)O 2230a_100020591295_100011218427 [0,2,0,0,0,0|1,0,1]=4 6828 B9R0.1 CO[C@H](C)CNC[C@@H](C)O 2230a_100020591295_100009817552 [0,2,0,0,0,0|1,0,1]=4 6829 B9R0.20 CCCCCS(=O)(=O)NC 270084a_100102657272_100000753860 [0,2,0,0,0,0|2,0,0]=4 6830 B9R0.20 CCCCCS(=O)(=O)NC 274078a_100102657272_100000753860 [0,2,0,0,0,0|2,0,0]=4 6831 B9R0.20 CCCCNS(=O)(=O)CC 270084a_100000102301_100000211323 [0,2,0,0,0,0|2,0,0]=4 6832 B9R0.20 CCCCNS(=O)(=O)CC 274078a_100000102301_100000211323 [0,2,0,0,0,0|2,0,0]=4 6833 B9R0.20 CCCCNS(=O)(=O)CC 40a_100000102301_100000053943 [0,2,0,0,0,0|2,0,0]=4 6834 B9R0.20 CCCNCC(C)(C)OC 2230a_100000763424_100000210303 [0,2,0,0,0,0|1,0,1]=4 6835 B9R0.20 CCCOCC(C)(C)OC 34a_100000210258_100000701081 [0,2,0,0,0,0|1,0,1]=4 6836 B9R0.20 CCCSCC(C)(C)OC 62a_100000210303_100000701081 [0,2,0,0,0,0|1,0,1]=4 6837 B9R0.20 CCCSCC(C)(C)OC 62a_100000701081_100000210303 [0,2,0,0,0,0|1,0,1]=4 6838 B9R0.20 CCNCCS(=O)(=O)CC 2230a_100000751051_100000210202 [0,2,0,0,0,0|2,0,0]=4 6839 B9R0.20 CCNCCS(=O)(=O)CC 2230a_100015525214_100000756660 [0,2,0,0,0,0|2,0,0]=4 6840 B9R0.20 CCNCCS(=O)(=O)CC 34a_100000751051_100000210202 [0,2,0,0,0,0|2,0,0]=4 6841 B9R0.20 CCNCCS(=O)(=O)NC 2230a_100000710037_100000210202 [0,2,0,0,0,0|2,0,0]=4 6842 B9R0.20 CCNCCS(=O)(=O)NC 34a_100000710037_100000210202 [0,2,0,0,0,0|2,0,0]=4 6843 B9R0.20 CCOCCC(C)(C)OC 7a_100000699976_100000210202 [0,2,0,0,0,0|1,0,1]=4 6844 B9R0.20 CCOCCS(=O)(=O)CC 34a_100121572206_100000756660 [0,2,0,0,0,0|2,0,0]=4 6845 B9R0.20 CCOCCS(=O)(=O)CC 34a_200011216379_100000210202 [0,2,0,0,0,0|2,0,0]=4 6846 B9R0.20 CCOCCS(=O)(=O)CC 7a_200011216379_100000210202 [0,2,0,0,0,0|2,0,0]=4 6847 B9R0.20 CCOCCS(=O)(=O)NC 270084a_100102657272_100000747040 [0,2,0,0,0,0|2,0,0]=4 6848 B9R0.20 CCOCCS(=O)(=O)NC 274078a_100102657272_100000747040 [0,2,0,0,0,0|2,0,0]=4 6849 B9R0.20 CCSCCS(=O)(=O)CC 62a_100000210202_100000756660 [0,2,0,0,0,0|2,0,0]=4 6850 B9R0.20 CCSCCS(=O)(=O)CC 62a_100000756660_100000210202 [0,2,0,0,0,0|2,0,0]=4 6851 B9R0.20 CNS(=O)(=O)CCCCCl 270084a_100102657272_100000021705 [0,2,0,0,0,0|2,0,0]=4 6852 B9R0.24 C#CC(C)NCC(=O)NC 2230a_100000707721_100000183359 [0,2,0,0,0,0|2,0,0]=4 6853 B9R0.24 C#CC(C)NCC(=O)NC 34a_100000707721_100000183359 [0,2,0,0,0,0|2,0,0]=4 6854 B9R0.24 C#CC(C)NCC(=O)OC 2230a_100000707721_100000747449 [0,2,0,0,0,0|1,0,0]=3 6855 B9R0.24 C#CC(C)NCC(=O)OC 34a_100000707721_100000747449 [0,2,0,0,0,0|1,0,0]=3 6856 B9R0.24 C#CC(C)OCC(=O)CC 34a_100000725409_200000035995 [0,2,0,0,0,0|2,0,0]=4 6857 B9R0.24 C#CC(C)OCC(=O)NC 34a_100000750040_200000035995 [0,2,0,0,0,0|2,0,0]=4 6858 B9R0.24 C#CC(C)SCC(=O)CC 62a_200000035995_100000747405 [0,2,0,0,0,0|2,0,0]=4 6859 B9R0.24 C#CC(C)SCC(=O)NC 62a_200000035995_100000183359 [0,2,0,0,0,0|2,0,0]=4 6860 B9R0.24 C#CC(C)SCC(=O)OC 62a_200000035995_100000747449 [0,2,0,0,0,0|1,0,0]=3 6861 B9R0.24 C#C[C@@H](C)OCC(=O)CC 7a_100009815206_100000747405 [0,2,0,0,0,0|2,0,0]=4 6862 B9R0.24 C#C[C@@H](C)OCC(=O)NC 34a_100009815206_100000183359 [0,2,0,0,0,0|2,0,0]=4 6863 B9R0.24 C#C[C@@H](C)OCC(=O)NC 7a_100009815206_100000183359 [0,2,0,0,0,0|2,0,0]=4 6864 B9R0.24 C#C[C@@H](C)OCC(=O)OC 34a_100009815206_100000747449 [0,2,0,0,0,0|1,0,0]=3 6865 B9R0.24 C#C[C@@H](C)OCC(=O)OC 7a_100009815206_100000747449 [0,2,0,0,0,0|1,0,0]=3 6866 B9R0.24 C=CC(=O)NCC(C)CC 1626a_100020588543_100000185746 [0,2,0,0,0,0|1,0,1]=4 6867 B9R0.24 C=CC(=O)NCC(C)CC 240690a_100020588543_200121576911 [0,2,0,0,0,0|1,0,1]=4 6868 B9R0.24 C=CC(=O)NCC(O)CC 240690a_100011218483_200121576911 [0,2,0,0,0,0|1,0,1]=4 6869 B9R0.24 C=CC(C)OCC(=O)NC 34a_100000695699_100000183359 [0,2,0,0,0,0|2,0,0]=4 6870 B9R0.24 C=CC(C)OCC(=O)OC 34a_100000695699_100000747449 [0,2,0,0,0,0|1,0,0]=3 6871 B9R0.24 C=CC(C)SCC(=O)CC 62a_100011215867_100000747405 [0,2,0,0,0,0|2,0,0]=4 6872 B9R0.24 C=CC(C)SCC(=O)NC 62a_100011215867_100000183359 [0,2,0,0,0,0|2,0,0]=4 6873 B9R0.24 C=CC(C)SCC(=O)OC 62a_100011215867_100000747449 [0,2,0,0,0,0|1,0,0]=3 6874 B9R0.24 CCC(=O)CCC(=O)NC 1458a_100011309844_100000210202 [0,2,0,0,0,0|1,0,0]=3 6875 B9R0.24 CCC(=O)CCC(=O)OC 1458a_100000187943_100000210202 [0,2,0,0,0,0|0,0,0]=2 6876 B9R0.24 CCC(=O)CCC(C)CC 1458a_100000701222_100000210202 [0,2,0,0,0,0|1,0,0]=3 6877 B9R0.24 CCC(=O)CCN(C)CC 1458a_100000755305_100000210202 [0,2,0,0,0,0|1,0,0]=3 6878 B9R0.24 CCC(=O)CCS(=O)CC 1458a_100011387550_100000210202 [0,2,0,0,0,0|1,0,0]=3 6879 B9R0.24 CCC(=O)CNC(=O)CC 1458a_100000194589_100000210202 [0,2,0,0,0,0|1,0,1]=4 6880 B9R0.24 CCC(=O)CNC(=O)OC 1458a_100000215747_100000210202 [0,2,0,0,0,0|0,0,1]=3 6881 B9R0.24 CCC(=O)COC(C)CC 34a_100000725409_100011215416 [0,2,0,0,0,0|1,0,0]=3 6882 B9R0.24 CCC(=O)COC(C)CC 7a_100000210228_100000747405 [0,2,0,0,0,0|1,0,0]=3 6883 B9R0.24 CCC(=O)COC(C)CF 7a_100016041109_100000747405 [0,2,0,0,0,0|2,0,0]=4 6884 B9R0.24 CCC(=O)COC(C)CO 34a_100000725409_100012180447 [0,2,0,0,0,0|2,0,0]=4 6885 B9R0.24 CCC(=O)CSC(C)C#N 62a_100000703298_100000747405 [0,2,0,0,0,0|2,0,0]=4 6886 B9R0.24 CCC(=O)CSC(C)C#N 62a_100000747405_100000703298 [0,2,0,0,0,0|2,0,0]=4 6887 B9R0.24 CCC(=O)CSC(C)CC 62a_100000747405_100000758301 [0,2,0,0,0,0|1,0,0]=3 6888 B9R0.24 CCC(=O)CSC(C)CC 62a_100000758301_100000747405 [0,2,0,0,0,0|1,0,0]=3 6889 B9R0.24 CCC(=O)CSC(C)CO 62a_100012180447_100000747405 [0,2,0,0,0,0|2,0,0]=4 6890 B9R0.24 CCC(=O)CSC(C)OC 62a_100000747405_100009879195 [0,2,0,0,0,0|2,0,0]=4 6891 B9R0.24 CCC(=O)CSC(C)OC 62a_100009879195_100000747405 [0,2,0,0,0,0|2,0,0]=4 6892 B9R0.24 CCC(=O)CS[C@H](C)CO 62a_100000747405_100016084084 [0,2,0,0,0,0|2,0,0]=4 6893 B9R0.24 CCC(=O)CS[C@H](C)CO 62a_100016084084_100000747405 [0,2,0,0,0,0|2,0,0]=4 6894 B9R0.24 CCC(=O)NCC(=O)NC 11a_100000693194_100000210414 [0,2,0,0,0,0|1,0,1]=4 6895 B9R0.24 CCC(=O)NCC(=O)NC 11a_106832991635_100000194589 [0,2,0,0,0,0|1,0,1]=4 6896 B9R0.24 CCC(=O)NCC(=O)NC 1626a_100102657272_100000194589 [0,2,0,0,0,0|1,0,1]=4 6897 B9R0.24 CCC(=O)NCC(=O)NC 240690a_100000693194_100000210414 [0,2,0,0,0,0|1,0,1]=4 6898 B9R0.24 CCC(=O)NCC(=O)NC 240690a_100102657272_100000194589 [0,2,0,0,0,0|1,0,1]=4 6899 B9R0.24 CCC(=O)NCC(=O)NC 527a_100000693194_100000210414 [0,2,0,0,0,0|1,0,1]=4 6900 B9R0.24 CCC(=O)NCC(=O)NC 527a_100102657272_100000194589 [0,2,0,0,0,0|1,0,1]=4 6901 B9R0.24 CCC(=O)NCC(=O)OC 188690a_100000185156_100000210414 [0,2,0,0,0,0|0,0,1]=3 6902 B9R0.24 CCC(=O)NCC(C)CC 11a_100020588543_100000210414 [0,2,0,0,0,0|1,0,0]=3 6903 B9R0.24 CCC(=O)NCC(C)CC 1626a_100020588543_100000210414 [0,2,0,0,0,0|1,0,0]=3 6904 B9R0.24 CCC(=O)NCC(C)CC 240690a_100020588543_100000210414 [0,2,0,0,0,0|1,0,0]=3 6905 B9R0.24 CCC(=O)NCC(C)CC 527a_100020588543_100000210414 [0,2,0,0,0,0|1,0,0]=3 6906 B9R0.24 CCC(=O)NCC(C)CO 240690a_100000744482_100000210414 [0,2,0,0,0,0|2,0,0]=4 6907 B9R0.24 CCC(=O)NCC(C)CO 527a_100000744482_100000210414 [0,2,0,0,0,0|2,0,0]=4 6908 B9R0.24 CCC(=O)NCC(O)CC 11a_100011218483_100000210414 [0,2,0,0,0,0|1,0,0]=3 6909 B9R0.24 CCC(=O)NCC(O)CC 240690a_100011218483_100000210414 [0,2,0,0,0,0|1,0,0]=3 6910 B9R0.24 CCC(=O)NCC(O)CC 527a_100011218483_100000210414 [0,2,0,0,0,0|1,0,0]=3 6911 B9R0.24 CCC(=O)NC[C@@H](C)OC 11a_100020591295_100000210414 [0,2,0,0,0,0|2,0,0]=4 6912 B9R0.24 CCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000210414 [0,2,0,0,0,0|2,0,0]=4 6913 B9R0.24 CCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000210414 [0,2,0,0,0,0|2,0,0]=4 6914 B9R0.24 CCC(=O)NC[C@@H](C)OC 527a_100020591295_100000210414 [0,2,0,0,0,0|2,0,0]=4 6915 B9R0.24 CCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000210414 [0,2,0,0,0,0|2,0,0]=4 6916 B9R0.24 CCC(=O)NC[C@@H](F)CO 527a_100015665980_100000210414 [0,2,0,0,0,0|2,0,0]=4 6917 B9R0.24 CCC(=O)NC[C@H](O)CO 240690a_100020644852_100000210414 [0,2,0,0,0,0|2,0,0]=4 6918 B9R0.24 CCC(=O)NC[C@H](O)CO 527a_100020644852_100000210414 [0,2,0,0,0,0|2,0,0]=4 6919 B9R0.24 CCC(=O)NNC(C)CC 22a_100000718999_100000210414 [0,2,0,0,0,0|2,0,0]=4 6920 B9R0.24 CCC(C)CCC(=O)CF 1458a_100000701222_100015361967 [0,2,0,0,0,0|2,0,0]=4 6921 B9R0.24 CCC(C)CCC(=O)NC 11a_106832991635_100000701222 [0,2,0,0,0,0|1,0,0]=3 6922 B9R0.24 CCC(C)CCC(=O)NC 1626a_100102657272_100000701222 [0,2,0,0,0,0|1,0,0]=3 6923 B9R0.24 CCC(C)CCC(=O)NC 240690a_100102657272_100000701222 [0,2,0,0,0,0|1,0,0]=3 6924 B9R0.24 CCC(C)CCC(=O)NC 527a_100102657272_100000701222 [0,2,0,0,0,0|1,0,0]=3 6925 B9R0.24 CCC(C)CCC(C)OC 7a_200011216552_200000210301 [0,2,0,0,0,0|1,0,1]=4 6926 B9R0.24 CCC(C)CCC(C)O[13CH3] 7a_200011216552_200025704644 [0,2,0,0,0,0|1,0,1]=4 6927 B9R0.24 CCC(C)CNC(=O)CO 240690a_100020588543_100000210174 [0,2,0,0,0,0|2,0,0]=4 6928 B9R0.24 CCC(C)CNC(=O)CO 527a_100020588543_100000210174 [0,2,0,0,0,0|2,0,0]=4 6929 B9R0.24 CCC(C)CNC(=O)NC 2708a_100020588543_106832991635 [0,2,0,0,0,0|1,0,0]=3 6930 B9R0.24 CCC(C)CNC(=O)NC 2708a_100102657272_100020588543 [0,2,0,0,0,0|1,0,0]=3 6931 B9R0.24 CCC(C)CNC(=O)NC 273464a_100020588543_100102657272 [0,2,0,0,0,0|1,0,0]=3 6932 B9R0.24 CCC(C)CNC(=O)NC 273464a_100102657272_100020588543 [0,2,0,0,0,0|1,0,0]=3 6933 B9R0.24 CCC(C)CNC(=O)NC 512a_100020588543_100102657272 [0,2,0,0,0,0|1,0,0]=3 6934 B9R0.24 CCC(C)CNC(=O)NC 512a_106832991638_100020588543 [0,2,0,0,0,0|1,0,0]=3 6935 B9R0.24 CCC(C)CSC(C)OC 62a_100000748023_100009879195 [0,2,0,0,0,0|1,0,1]=4 6936 B9R0.24 CCC(C)CSC(C)OC 62a_100009879195_100000748023 [0,2,0,0,0,0|1,0,1]=4 6937 B9R0.24 CCC(C)NCC(=O)NC 2230a_100000209981_100000183359 [0,2,0,0,0,0|1,0,0]=3 6938 B9R0.24 CCC(C)NCC(=O)NC 2230a_100000693194_100000758301 [0,2,0,0,0,0|1,0,0]=3 6939 B9R0.24 CCC(C)NCC(=O)OC 2230a_100000209981_100000747449 [0,2,0,0,0,0|0,0,0]=2 6940 B9R0.24 CCC(C)NC[C@@H](C)OC 2230a_100020591295_100000758301 [0,2,0,0,0,0|1,0,1]=4 6941 B9R0.24 CCC(C)NNC(=O)NC 273464a_100102657272_100000718999 [0,2,0,0,0,0|2,0,0]=4 6942 B9R0.24 CCC(C)NNC(=O)NC 512a_100000718999_100102657272 [0,2,0,0,0,0|2,0,0]=4 6943 B9R0.24 CCC(C)NNC(=O)NC 512a_106832991638_100000718999 [0,2,0,0,0,0|2,0,0]=4 6944 B9R0.24 CCC(C)OCC(=O)NC 34a_100000750040_100011215416 [0,2,0,0,0,0|1,0,0]=3 6945 B9R0.24 CCC(C)OCC(=O)NC 7a_100000210228_100000183359 [0,2,0,0,0,0|1,0,0]=3 6946 B9R0.24 CCC(C)OCC(=O)OC 7a_100000210228_100000747449 [0,2,0,0,0,0|0,0,0]=2 6947 B9R0.24 CCC(C)OCC(C)OC 34a_100000690652_100011215416 [0,2,0,0,0,0|1,0,1]=4 6948 B9R0.24 CCC(C)SCC(=O)NC 62a_100000183359_100000758301 [0,2,0,0,0,0|1,0,0]=3 6949 B9R0.24 CCC(C)SCC(=O)NC 62a_100000758301_100000183359 [0,2,0,0,0,0|1,0,0]=3 6950 B9R0.24 CCC(C)SCC(=O)OC 62a_100000747449_100000758301 [0,2,0,0,0,0|0,0,0]=2 6951 B9R0.24 CCC(C)SCC(=O)OC 62a_100000758301_100000747449 [0,2,0,0,0,0|0,0,0]=2 6952 B9R0.24 CCC(O)CCC(=O)NC 1626a_100102657272_203496584001 [0,2,0,0,0,0|1,0,0]=3 6953 B9R0.24 CCC(O)CCC(=O)NC 240690a_100102657272_203496584001 [0,2,0,0,0,0|1,0,0]=3 6954 B9R0.24 CCC(O)CNC(=O)CO 240690a_100011218483_100000210174 [0,2,0,0,0,0|2,0,0]=4 6955 B9R0.24 CCC(O)CNC(=O)CO 527a_100011218483_100000210174 [0,2,0,0,0,0|2,0,0]=4 6956 B9R0.24 CCC(O)CNC(=O)NC 2708a_100102657272_100011218483 [0,2,0,0,0,0|1,0,0]=3 6957 B9R0.24 CCC(O)CNC(=O)NC 273464a_100011218483_100102657272 [0,2,0,0,0,0|1,0,0]=3 6958 B9R0.24 CCC(O)CNC(=O)NC 273464a_100102657272_100011218483 [0,2,0,0,0,0|1,0,0]=3 6959 B9R0.24 CCC(O)CNC(=O)NC 512a_100011218483_100102657272 [0,2,0,0,0,0|1,0,0]=3 6960 B9R0.24 CCC(O)CSC(C)OC 62a_100009879195_100011218378 [0,2,0,0,0,0|1,0,1]=4 6961 B9R0.24 CCC(O)CSC(C)OC 62a_100011218378_100009879195 [0,2,0,0,0,0|1,0,1]=4 6962 B9R0.24 CCN(C)CCC(=O)CF 1458a_100000755305_100015361967 [0,2,0,0,0,0|2,0,0]=4 6963 B9R0.24 CCN(C)CCC(=O)NC 2230a_100000225621_100000737683 [0,2,0,0,0,0|1,0,0]=3 6964 B9R0.24 CCN(C)CCC(=O)NC 2230a_100000750875_100000210202 [0,2,0,0,0,0|1,0,0]=3 6965 B9R0.24 CCN(C)CCC(=O)NC 240690a_100102657272_100000755305 [0,2,0,0,0,0|1,0,0]=3 6966 B9R0.24 CCN(C)CCC(=O)NC 269982a_100000225621_100000737683 [0,2,0,0,0,0|1,0,0]=3 6967 B9R0.24 CCN(C)CCC(=O)NC 269982a_100000750875_100000204670 [0,2,0,0,0,0|1,0,0]=3 6968 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000225621_100000204255 [0,2,0,0,0,0|0,0,0]=2 6969 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000229097_200000210301 [0,2,0,0,0,0|0,0,0]=2 6970 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000225621_100000204255 [0,2,0,0,0,0|0,0,0]=2 6971 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000229097_200000210301 [0,2,0,0,0,0|0,0,0]=2 6972 B9R0.24 CCN(C)CCC(=O)OC 269982a_100025711912_100000204670 [0,2,0,0,0,0|0,0,0]=2 6973 B9R0.24 CCN([13CH3])CCC(=O)OC 2230a_100000229097_200025704644 [0,2,0,0,0,0|0,0,0]=2 6974 B9R0.24 CCN([13CH3])CCC(=O)OC 269982a_100000229097_200025704644 [0,2,0,0,0,0|0,0,0]=2 6975 B9R0.24 CCS(=O)CCC(=O)CF 1458a_100011387550_100015361967 [0,2,0,0,0,0|2,0,0]=4 6976 B9R0.24 CCS(=O)CCC(=O)NC 11a_106832991635_100011387550 [0,2,0,0,0,0|1,0,0]=3 6977 B9R0.24 CCS(=O)CCC(=O)NC 1626a_100102657272_100011387550 [0,2,0,0,0,0|1,0,0]=3 6978 B9R0.24 CCS(=O)CCC(=O)NC 240690a_100102657272_100011387550 [0,2,0,0,0,0|1,0,0]=3 6979 B9R0.24 CCS(=O)CCC(=O)NC 527a_100102657272_100011387550 [0,2,0,0,0,0|1,0,0]=3 6980 B9R0.24 CC[C@H](C)CSC(C)OC 62a_100009816398_100009879195 [0,2,0,0,0,0|1,0,1]=4 6981 B9R0.24 CC[C@H](C)CSC(C)OC 62a_100009879195_100009816398 [0,2,0,0,0,0|1,0,1]=4 6982 B9R0.24 CNC(=O)CCC(=O)CF 1458a_100011309844_100015361967 [0,2,0,0,0,0|1,0,1]=4 6983 B9R0.24 CNC(=O)CCC(=O)NC 11a_106832991635_100011309844 [0,2,0,0,0,0|1,0,1]=4 6984 B9R0.24 CNC(=O)CCC(=O)NC 1626a_100102657272_100011309844 [0,2,0,0,0,0|1,0,1]=4 6985 B9R0.24 CNC(=O)CCC(=O)NC 240690a_100102657272_100011309844 [0,2,0,0,0,0|1,0,1]=4 6986 B9R0.24 CNC(=O)CCC(=O)NC 527a_100102657272_100011309844 [0,2,0,0,0,0|1,0,1]=4 6987 B9R0.24 CNC(=O)CCC(=O)OC 11a_106832991635_100000187943 [0,2,0,0,0,0|0,0,1]=3 6988 B9R0.24 CNC(=O)CCC(=O)OC 1626a_100102657272_100000187943 [0,2,0,0,0,0|0,0,1]=3 6989 B9R0.24 CNC(=O)CCC(=O)OC 240690a_100102657272_100000187943 [0,2,0,0,0,0|0,0,1]=3 6990 B9R0.24 CNC(=O)CCC(=O)OC 527a_100102657272_100000187943 [0,2,0,0,0,0|0,0,1]=3 6991 B9R0.24 CNC(=O)CCN(C)CF 269982a_100000750875_100015361967 [0,2,0,0,0,0|2,0,0]=4 6992 B9R0.24 CNC(=O)CNC(=O)OC 11a_106832991635_100000215747 [0,2,0,0,0,0|1,0,1]=4 6993 B9R0.24 CNC(=O)CNC(=O)OC 1626a_100102657272_100000215747 [0,2,0,0,0,0|1,0,1]=4 6994 B9R0.24 CNC(=O)CNC(=O)OC 240690a_100102657272_100000215747 [0,2,0,0,0,0|1,0,1]=4 6995 B9R0.24 CNC(=O)CNC(=O)OC 527a_100102657272_100000215747 [0,2,0,0,0,0|1,0,1]=4 6996 B9R0.24 CNC(=O)CNC(C)C#N 2230a_100000693194_100000184139 [0,2,0,0,0,0|2,0,0]=4 6997 B9R0.24 CNC(=O)CNC(C)C#N 2230a_100000737613_100000183359 [0,2,0,0,0,0|2,0,0]=4 6998 B9R0.24 CNC(=O)CNC(C)CO 2230a_100000693194_100012180447 [0,2,0,0,0,0|2,0,0]=4 6999 B9R0.24 CNC(=O)CN[C@H](C)CO 2230a_100000737577_100000183359 [0,2,0,0,0,0|2,0,0]=4 7000 B9R0.24 CNC(=O)COC(C)C#N 34a_100011218135_100000183359 [0,2,0,0,0,0|2,0,0]=4 7001 B9R0.24 CNC(=O)COC(C)CF 34a_100016041109_100000183359 [0,2,0,0,0,0|2,0,0]=4 7002 B9R0.24 CNC(=O)COC(C)CF 7a_100016041109_100000183359 [0,2,0,0,0,0|2,0,0]=4 7003 B9R0.24 CNC(=O)COC(C)CN 34a_100000210904_100000183359 [0,2,0,0,0,0|2,0,0]=4 7004 B9R0.24 CNC(=O)COC(C)CO 34a_100000750040_100012180447 [0,2,0,0,0,0|2,0,0]=4 7005 B9R0.24 CNC(=O)CSC(C)C#N 62a_100000183359_100000703298 [0,2,0,0,0,0|2,0,0]=4 7006 B9R0.24 CNC(=O)CSC(C)C#N 62a_100000703298_100000183359 [0,2,0,0,0,0|2,0,0]=4 7007 B9R0.24 CNC(=O)CSC(C)CO 62a_100012180447_100000183359 [0,2,0,0,0,0|2,0,0]=4 7008 B9R0.24 CNC(=O)CSC(C)OC 62a_100000183359_100009879195 [0,2,0,0,0,0|2,0,0]=4 7009 B9R0.24 CNC(=O)CSC(C)OC 62a_100009879195_100000183359 [0,2,0,0,0,0|2,0,0]=4 7010 B9R0.24 CNC(=O)CS[C@H](C)CO 62a_100000183359_100016084084 [0,2,0,0,0,0|2,0,0]=4 7011 B9R0.24 CNC(=O)CS[C@H](C)CO 62a_100016084084_100000183359 [0,2,0,0,0,0|2,0,0]=4 7012 B9R0.24 CNC(=O)NCC(C)CO 2708a_100102657272_100000744482 [0,2,0,0,0,0|2,0,0]=4 7013 B9R0.24 CNC(=O)NCC(C)CO 273464a_100000744482_100102657272 [0,2,0,0,0,0|2,0,0]=4 7014 B9R0.24 CNC(=O)NCC(C)CO 273464a_100102657272_100000744482 [0,2,0,0,0,0|2,0,0]=4 7015 B9R0.24 CNC(=O)NCC(C)CO 512a_100000744482_100102657272 [0,2,0,0,0,0|2,0,0]=4 7016 B9R0.24 CNC(=O)NCC(C)CO 512a_106832991638_100000744482 [0,2,0,0,0,0|2,0,0]=4 7017 B9R0.24 CNC(=O)NC[C@@H](C)OC 2708a_100020591295_106832991635 [0,2,0,0,0,0|2,0,0]=4 7018 B9R0.24 CNC(=O)NC[C@@H](C)OC 2708a_100102657272_100020591295 [0,2,0,0,0,0|2,0,0]=4 7019 B9R0.24 CNC(=O)NC[C@@H](C)OC 273464a_100020591295_100102657272 [0,2,0,0,0,0|2,0,0]=4 7020 B9R0.24 CNC(=O)NC[C@@H](C)OC 273464a_100102657272_100020591295 [0,2,0,0,0,0|2,0,0]=4 7021 B9R0.24 CNC(=O)NC[C@@H](C)OC 512a_100020591295_100102657272 [0,2,0,0,0,0|2,0,0]=4 7022 B9R0.24 CNC(=O)NC[C@@H](C)OC 512a_106832991638_100020591295 [0,2,0,0,0,0|2,0,0]=4 7023 B9R0.24 CNC(=O)NC[C@@H](F)CO 2708a_100102657272_100015665980 [0,2,0,0,0,0|2,0,0]=4 7024 B9R0.24 CNC(=O)NC[C@@H](F)CO 273464a_100015665980_100102657272 [0,2,0,0,0,0|2,0,0]=4 7025 B9R0.24 CNC(=O)NC[C@@H](F)CO 273464a_100102657272_100015665980 [0,2,0,0,0,0|2,0,0]=4 7026 B9R0.24 CNC(=O)NC[C@@H](F)CO 512a_100015665980_100102657272 [0,2,0,0,0,0|2,0,0]=4 7027 B9R0.24 CNC(=O)NC[C@@H](F)CO 512a_106832991638_100015665980 [0,2,0,0,0,0|2,0,0]=4 7028 B9R0.24 CNC(=O)NC[C@H](O)CO 2708a_100102657272_100020644852 [0,2,0,0,0,0|2,0,0]=4 7029 B9R0.24 CNC(=O)NC[C@H](O)CO 273464a_100020644852_100102657272 [0,2,0,0,0,0|2,0,0]=4 7030 B9R0.24 CNC(=O)NC[C@H](O)CO 273464a_100102657272_100020644852 [0,2,0,0,0,0|2,0,0]=4 7031 B9R0.24 COC(=O)CCC(=O)CF 1458a_100000187943_100015361967 [0,2,0,0,0,0|0,0,1]=3 7032 B9R0.24 COC(=O)CCN(C)CF 269982a_100025711912_100015361967 [0,2,0,0,0,0|1,0,0]=3 7033 B9R0.24 COC(=O)CNC(=O)CO 188690a_100000185156_100000210174 [0,2,0,0,0,0|1,0,1]=4 7034 B9R0.24 COC(=O)CNC(C)C#N 2230a_100000737613_100000747449 [0,2,0,0,0,0|1,0,0]=3 7035 B9R0.24 COC(=O)CN[C@H](C)CO 2230a_100000737577_100000747449 [0,2,0,0,0,0|1,0,0]=3 7036 B9R0.24 COC(=O)COC(C)C#N 34a_100011218135_100000747449 [0,2,0,0,0,0|1,0,0]=3 7037 B9R0.24 COC(=O)COC(C)CF 34a_100016041109_100000747449 [0,2,0,0,0,0|1,0,0]=3 7038 B9R0.24 COC(=O)COC(C)CF 7a_100016041109_100000747449 [0,2,0,0,0,0|1,0,0]=3 7039 B9R0.24 COC(=O)COC(C)CN 34a_100000210904_100000747449 [0,2,0,0,0,0|1,0,0]=3 7040 B9R0.24 COC(=O)CSC(C)C#N 62a_100000703298_100000747449 [0,2,0,0,0,0|1,0,0]=3 7041 B9R0.24 COC(=O)CSC(C)C#N 62a_100000747449_100000703298 [0,2,0,0,0,0|1,0,0]=3 7042 B9R0.24 COC(=O)CSC(C)CO 62a_100012180447_100000747449 [0,2,0,0,0,0|1,0,0]=3 7043 B9R0.24 COC(=O)CSC(C)OC 62a_100000747449_100009879195 [0,2,0,0,0,0|1,0,0]=3 7044 B9R0.24 COC(=O)CSC(C)OC 62a_100009879195_100000747449 [0,2,0,0,0,0|1,0,0]=3 7045 B9R0.24 COC(=O)CSC(F)C#N 62a_100000747449_200000117898 [0,2,0,0,0,0|1,0,1]=4 7046 B9R0.24 COC(=O)CSC(F)C#N 62a_200000117898_100000747449 [0,2,0,0,0,0|1,0,1]=4 7047 B9R0.24 COC(=O)CS[C@H](C)CO 62a_100000747449_100016084084 [0,2,0,0,0,0|1,0,0]=3 7048 B9R0.24 COC(=O)CS[C@H](C)CO 62a_100016084084_100000747449 [0,2,0,0,0,0|1,0,0]=3 7049 B9R0.24 COC(=O)NCC(=O)CF 1458a_100000215747_100015361967 [0,2,0,0,0,0|1,0,1]=4 7050 B9R0.46 C#CC(=O)CC/C=C\CC 1458a_100000211873_100015370543 [0,2,0,0,0,0|1,0,1]=4 7051 B9R0.46 C#CC(=O)CCCCC#N 1458a_100000211873_100000211819 [0,2,0,0,0,0|1,0,1]=4 7052 B9R0.46 C#CC(=O)CCCCC=C 1458a_100000211873_100011215482 [0,2,0,0,0,0|1,0,1]=4 7053 B9R0.46 C#CC(=O)CCCCCC 1458a_100000211873_100000210757 [0,2,0,0,0,0|1,0,1]=4 7054 B9R0.46 C#CC(=O)CCCCCF 1458a_100000211873_100000729378 [0,2,0,0,0,0|1,0,1]=4 7055 B9R0.46 C#CC(=O)CCCCCO 1458a_100000211873_100000746330 [0,2,0,0,0,0|1,0,1]=4 7056 B9R0.46 C#CC(=O)CCCCOC 1458a_100000211873_100000755781 [0,2,0,0,0,0|1,0,1]=4 7057 B9R0.46 C#CC(=O)CCCOCC 1458a_100000211873_100012232248 [0,2,0,0,0,0|1,0,1]=4 7058 B9R0.46 C#CC(=O)CCOCCC 1458a_100000211873_100011215938 [0,2,0,0,0,0|1,0,1]=4 7059 B9R0.46 C#CC(=O)CCOCCO 1458a_100000211873_100011215305 [0,2,0,0,0,0|1,0,1]=4 7060 B9R0.46 C#CC(=O)COCCCC 1458a_100000211873_100011995733 [0,2,0,0,0,0|1,0,1]=4 7061 B9R0.46 C#CCCCCC(=O)C#C 1458a_100000211873_100010269958 [0,2,0,0,0,0|1,0,1]=4 7062 B9R0.46 C#CCCCCC(=O)C=C 1458a_100000185746_100010269958 [0,2,0,0,0,0|1,0,1]=4 7063 B9R0.46 C#CCCCCC(=O)CC 1458a_100000210414_100010269958 [0,2,0,0,0,0|1,0,0]=3 7064 B9R0.46 C#CCCCCC(=O)CC 1458a_100000696528_100000210202 [0,2,0,0,0,0|1,0,0]=3 7065 B9R0.46 C#CCCCCC(=O)CF 1458a_100000696528_100015361967 [0,2,0,0,0,0|2,0,0]=4 7066 B9R0.46 C#CCCCCC(=O)CO 1458a_100000210174_100010269958 [0,2,0,0,0,0|2,0,0]=4 7067 B9R0.46 C#CCCCCC(=O)NC 11a_106832991635_100000696528 [0,2,0,0,0,0|1,0,0]=3 7068 B9R0.46 C#CCCCCC(=O)NC 1626a_100102657272_100000696528 [0,2,0,0,0,0|1,0,0]=3 7069 B9R0.46 C#CCCCCC(=O)NC 240690a_100102657272_100000696528 [0,2,0,0,0,0|1,0,0]=3 7070 B9R0.46 C#CCCCCC(=O)NC 527a_100102657272_100000696528 [0,2,0,0,0,0|1,0,0]=3 7071 B9R0.46 C#CCCCNC(=O)CC 11a_100000718082_100000210414 [0,2,0,0,0,0|1,0,1]=4 7072 B9R0.46 C#CCCCNC(=O)CC 1626a_100000718082_100000210414 [0,2,0,0,0,0|1,0,1]=4 7073 B9R0.46 C#CCCCNC(=O)CC 240690a_100000718082_100000210414 [0,2,0,0,0,0|1,0,1]=4 7074 B9R0.46 C#CCCCNC(=O)CC 527a_100000718082_100000210414 [0,2,0,0,0,0|1,0,1]=4 7075 B9R0.46 C#CCCCNC(=O)NC 2708a_100000718082_106832991635 [0,2,0,0,0,0|1,0,1]=4 7076 B9R0.46 C#CCCCNC(=O)NC 2708a_100102657272_100000718082 [0,2,0,0,0,0|1,0,1]=4 7077 B9R0.46 C#CCCCNC(=O)NC 273464a_100000718082_100102657272 [0,2,0,0,0,0|1,0,1]=4 7078 B9R0.46 C#CCCCNC(=O)NC 273464a_100102657272_100000718082 [0,2,0,0,0,0|1,0,1]=4 7079 B9R0.46 C#CCCCNC(=O)NC 512a_100000718082_100102657272 [0,2,0,0,0,0|1,0,1]=4 7080 B9R0.46 C#CCCCNC(=O)NC 512a_106832991638_100000718082 [0,2,0,0,0,0|1,0,1]=4 7081 B9R0.46 C#CCCNCC(=O)NC 2230a_100000693194_100000688953 [0,2,0,0,0,0|1,0,1]=4 7082 B9R0.46 C#CCCNCC(=O)NC 34a_100000755551_100000183359 [0,2,0,0,0,0|1,0,1]=4 7083 B9R0.46 C#CCCNCC(=O)OC 34a_100000755551_100000747449 [0,2,0,0,0,0|0,0,1]=3 7084 B9R0.46 C#CCCOCC(=O)CC 34a_100000725409_100000688953 [0,2,0,0,0,0|1,0,1]=4 7085 B9R0.46 C#CCCOCC(=O)NC 34a_100000750040_100000688953 [0,2,0,0,0,0|1,0,1]=4 7086 B9R0.46 C#CCCOCC(=O)NC 34a_100011215631_100000183359 [0,2,0,0,0,0|1,0,1]=4 7087 B9R0.46 C#CCCOCC(=O)OC 34a_100011215631_100000747449 [0,2,0,0,0,0|0,0,1]=3 7088 B9R0.46 C#CCCSCC(=O)CC 62a_100000688953_100000747405 [0,2,0,0,0,0|1,0,1]=4 7089 B9R0.46 C#CCCSCC(=O)CC 62a_100000747405_100000688953 [0,2,0,0,0,0|1,0,1]=4 7090 B9R0.46 C#CCCSCC(=O)NC 62a_100000183359_100000688953 [0,2,0,0,0,0|1,0,1]=4 7091 B9R0.46 C#CCCSCC(=O)NC 62a_100000688953_100000183359 [0,2,0,0,0,0|1,0,1]=4 7092 B9R0.46 C#CCCSCC(=O)OC 62a_100000688953_100000747449 [0,2,0,0,0,0|0,0,1]=3 7093 B9R0.46 C#CCCSCC(=O)OC 62a_100000747449_100000688953 [0,2,0,0,0,0|0,0,1]=3 7094 B9R0.46 C#CCNCCC(=O)NC 2230a_100000738227_100000038162 [0,2,0,0,0,0|1,0,1]=4 7095 B9R0.46 C#CCNCCC(=O)NC 34a_100000212058_100012179268 [0,2,0,0,0,0|1,0,1]=4 7096 B9R0.46 C#CCNCCC(=O)NC 34a_100000738227_100000184674 [0,2,0,0,0,0|1,0,1]=4 7097 B9R0.46 C#CCNCCC(=O)OC 34a_100000212058_100000742370 [0,2,0,0,0,0|0,0,1]=3 7098 B9R0.46 C#CCOCCC(=O)CC 1458a_100000210414_100010402529 [0,2,0,0,0,0|1,0,1]=4 7099 B9R0.46 C#CCOCCC(=O)CC 1458a_100000693358_100000210202 [0,2,0,0,0,0|1,0,1]=4 7100 B9R0.46 C#CCOCCC(=O)NC 11a_106832991635_100000693358 [0,2,0,0,0,0|1,0,1]=4 7101 B9R0.46 C#CCOCCC(=O)NC 1626a_100102657272_100000693358 [0,2,0,0,0,0|1,0,1]=4 7102 B9R0.46 C#CCOCCC(=O)NC 240690a_100102657272_100000693358 [0,2,0,0,0,0|1,0,1]=4 7103 B9R0.46 C#CCOCCC(=O)NC 34a_100000210247_100012179268 [0,2,0,0,0,0|1,0,1]=4 7104 B9R0.46 C#CCOCCC(=O)NC 34a_100000754576_100000184674 [0,2,0,0,0,0|1,0,1]=4 7105 B9R0.46 C#CCOCCC(=O)NC 527a_100102657272_100000693358 [0,2,0,0,0,0|1,0,1]=4 7106 B9R0.46 C#CCOCCC(=O)OC 34a_100000210247_100000742370 [0,2,0,0,0,0|0,0,1]=3 7107 B9R0.46 C#CCSCCC(=O)NC 62a_100000038162_100000737683 [0,2,0,0,0,0|1,0,1]=4 7108 B9R0.46 C#CCSCCC(=O)OC 62a_100000038162_100000204255 [0,2,0,0,0,0|0,0,1]=3 7109 B9R0.46 C#CCSCOC(=O)OC 62a_100000038162_100000139417 [0,2,0,0,0,0|0,0,2]=4 7110 B9R0.46 C/C=C/COCC(=O)CC 34a_100000725409_100102629194 [0,2,0,0,0,0|1,0,1]=4 7111 B9R0.46 C/C=C/COCC(=O)NC 34a_100000750040_100102629194 [0,2,0,0,0,0|1,0,1]=4 7112 B9R0.46 C/C=C/COCC(=O)NC 34a_100016270725_100000183359 [0,2,0,0,0,0|1,0,1]=4 7113 B9R0.46 C/C=C/COCC(=O)OC 34a_100016270725_100000747449 [0,2,0,0,0,0|0,0,1]=3 7114 B9R0.46 C/C=C/CSCC(=O)CC 62a_100000747405_100102629194 [0,2,0,0,0,0|1,0,1]=4 7115 B9R0.46 C/C=C/CSCC(=O)CC 62a_100102629194_100000747405 [0,2,0,0,0,0|1,0,1]=4 7116 B9R0.46 C/C=C/CSCC(=O)NC 62a_100000183359_100102629194 [0,2,0,0,0,0|1,0,1]=4 7117 B9R0.46 C/C=C/CSCC(=O)NC 62a_100102629194_100000183359 [0,2,0,0,0,0|1,0,1]=4 7118 B9R0.46 C/C=C/CSCC(=O)OC 62a_100000747449_100102629194 [0,2,0,0,0,0|0,0,1]=3 7119 B9R0.46 C/C=C/CSCC(=O)OC 62a_100102629194_100000747449 [0,2,0,0,0,0|0,0,1]=3 7120 B9R0.46 C=CC(=O)CC/C=C\CC 1458a_100000185746_100015370543 [0,2,0,0,0,0|1,0,1]=4 7121 B9R0.46 C=CC(=O)CCCCC#N 1458a_100000185746_100000211819 [0,2,0,0,0,0|1,0,1]=4 7122 B9R0.46 C=CC(=O)CCCCCC 1458a_100000185746_100000210757 [0,2,0,0,0,0|1,0,1]=4 7123 B9R0.46 C=CC(=O)CCCCCF 1458a_100000185746_100000729378 [0,2,0,0,0,0|1,0,1]=4 7124 B9R0.46 C=CC(=O)CCCCCO 1458a_100000185746_100000746330 [0,2,0,0,0,0|1,0,1]=4 7125 B9R0.46 C=CC(=O)CCCCOC 1458a_100000185746_100000755781 [0,2,0,0,0,0|1,0,1]=4 7126 B9R0.46 C=CC(=O)CCCOCC 1458a_100000185746_100012232248 [0,2,0,0,0,0|1,0,1]=4 7127 B9R0.46 C=CC(=O)CCOCCC 1458a_100000185746_100011215938 [0,2,0,0,0,0|1,0,1]=4 7128 B9R0.46 C=CC(=O)CCOCCO 1458a_100000185746_100011215305 [0,2,0,0,0,0|1,0,1]=4 7129 B9R0.46 C=CC(=O)COCCCC 1458a_100000185746_100011995733 [0,2,0,0,0,0|1,0,1]=4 7130 B9R0.46 C=CC(=O)NCCCCC 1626a_100000209983_100000185746 [0,2,0,0,0,0|1,0,1]=4 7131 B9R0.46 C=CC(=O)NCCCCC 240690a_100000209983_200121576911 [0,2,0,0,0,0|1,0,1]=4 7132 B9R0.46 C=CC(=O)NCCCCO 240690a_100000750430_200121576911 [0,2,0,0,0,0|1,0,1]=4 7133 B9R0.46 C=CC(=O)NCCCOC 1626a_100150723488_100000185746 [0,2,0,0,0,0|1,0,1]=4 7134 B9R0.46 C=CC(=O)NCCCOC 240690a_100150723488_200121576911 [0,2,0,0,0,0|1,0,1]=4 7135 B9R0.46 C=CC(=O)NCCCSC 1626a_100000749238_100000185746 [0,2,0,0,0,0|1,0,1]=4 7136 B9R0.46 C=CC(=O)NCCCSC 240690a_100000749238_200121576911 [0,2,0,0,0,0|1,0,1]=4 7137 B9R0.46 C=CC(=O)NCCNCC 2230a_114873766552_100000210202 [0,2,0,0,0,0|1,0,1]=4 7138 B9R0.46 C=CC(=O)NCCOCC 1626a_102516460346_100000185746 [0,2,0,0,0,0|1,0,1]=4 7139 B9R0.46 C=CC(=O)NCCOCC 240690a_100011200944_200121576911 [0,2,0,0,0,0|1,0,1]=4 7140 B9R0.46 C=CC(=O)NCCOCC 34a_100011304386_100000210202 [0,2,0,0,0,0|1,0,1]=4 7141 B9R0.46 C=CC(=O)NCCSCC 1626a_100000106463_100000185746 [0,2,0,0,0,0|1,0,1]=4 7142 B9R0.46 C=CC(=O)NCCSCC 240690a_100000106463_200121576911 [0,2,0,0,0,0|1,0,1]=4 7143 B9R0.46 C=CC(=O)NNCCCC 22a_100025702795_100000185746 [0,2,0,0,0,0|1,0,1]=4 7144 B9R0.46 C=CC(=O)OCCNCC 2230a_100015525214_100009813456 [0,2,0,0,0,0|1,0,1]=4 7145 B9R0.46 C=CC(=O)OCCOCC 34a_100121572206_100009813456 [0,2,0,0,0,0|1,0,1]=4 7146 B9R0.46 C=CC(=O)OCCSCC 62a_100000210202_100009813456 [0,2,0,0,0,0|1,0,1]=4 7147 B9R0.46 C=CC(=O)OCCSCC 62a_100009813456_100000210202 [0,2,0,0,0,0|1,0,1]=4 7148 B9R0.46 C=CCCCCC(=O)C=C 1458a_100000185746_100011215482 [0,2,0,0,0,0|1,0,1]=4 7149 B9R0.46 C=CCCCCC(=O)CC 1458a_100000210414_100011215482 [0,2,0,0,0,0|1,0,0]=3 7150 B9R0.46 C=CCCCCC(=O)CC 1458a_100011215552_100000210202 [0,2,0,0,0,0|1,0,0]=3 7151 B9R0.46 C=CCCCCC(=O)CF 1458a_100011215552_100015361967 [0,2,0,0,0,0|2,0,0]=4 7152 B9R0.46 C=CCCCCC(=O)CO 1458a_100000210174_100011215482 [0,2,0,0,0,0|2,0,0]=4 7153 B9R0.46 C=CCCCCC(=O)NC 11a_106832991635_100011215552 [0,2,0,0,0,0|1,0,0]=3 7154 B9R0.46 C=CCCCCC(=O)NC 1626a_100102657272_100011215552 [0,2,0,0,0,0|1,0,0]=3 7155 B9R0.46 C=CCCCCC(=O)NC 240690a_100102657272_100011215552 [0,2,0,0,0,0|1,0,0]=3 7156 B9R0.46 C=CCCCCC(=O)NC 527a_100102657272_100011215552 [0,2,0,0,0,0|1,0,0]=3 7157 B9R0.46 C=CCCCNC(=O)CC 11a_100000700776_100000210414 [0,2,0,0,0,0|1,0,1]=4 7158 B9R0.46 C=CCCCNC(=O)CC 1626a_100000700776_100000210414 [0,2,0,0,0,0|1,0,1]=4 7159 B9R0.46 C=CCCCNC(=O)CC 240690a_100000700776_100000210414 [0,2,0,0,0,0|1,0,1]=4 7160 B9R0.46 C=CCCCNC(=O)CC 527a_100000700776_100000210414 [0,2,0,0,0,0|1,0,1]=4 7161 B9R0.46 C=CCCCNC(=O)NC 2708a_100000700776_106832991635 [0,2,0,0,0,0|1,0,1]=4 7162 B9R0.46 C=CCCCNC(=O)NC 2708a_100102657272_100000700776 [0,2,0,0,0,0|1,0,1]=4 7163 B9R0.46 C=CCCCNC(=O)NC 273464a_100000700776_100102657272 [0,2,0,0,0,0|1,0,1]=4 7164 B9R0.46 C=CCCCNC(=O)NC 273464a_100102657272_100000700776 [0,2,0,0,0,0|1,0,1]=4 7165 B9R0.46 C=CCCCNC(=O)NC 512a_100000700776_100102657272 [0,2,0,0,0,0|1,0,1]=4 7166 B9R0.46 C=CCCCNC(=O)NC 512a_106832991638_100000700776 [0,2,0,0,0,0|1,0,1]=4 7167 B9R0.46 C=CCCNCC(=O)NC 2230a_100000693194_100000754431 [0,2,0,0,0,0|1,0,1]=4 7168 B9R0.46 C=CCCNCC(=O)NC 2230a_100015191253_100000183359 [0,2,0,0,0,0|1,0,1]=4 7169 B9R0.46 C=CCCNCC(=O)OC 2230a_100015191253_100000747449 [0,2,0,0,0,0|0,0,1]=3 7170 B9R0.46 C=CCCOCC(=O)CC 34a_100000725409_100000754431 [0,2,0,0,0,0|1,0,1]=4 7171 B9R0.46 C=CCCOCC(=O)NC 34a_100000750040_100000754431 [0,2,0,0,0,0|1,0,1]=4 7172 B9R0.46 C=CCCOCC(=O)NC 34a_100011205117_100000183359 [0,2,0,0,0,0|1,0,1]=4 7173 B9R0.46 C=CCCOCC(=O)OC 34a_100011205117_100000747449 [0,2,0,0,0,0|0,0,1]=3 7174 B9R0.46 C=CCCSCC(=O)CC 62a_100000747405_100000754431 [0,2,0,0,0,0|1,0,1]=4 7175 B9R0.46 C=CCCSCC(=O)CC 62a_100000754431_100000747405 [0,2,0,0,0,0|1,0,1]=4 7176 B9R0.46 C=CCCSCC(=O)NC 62a_100000183359_100000754431 [0,2,0,0,0,0|1,0,1]=4 7177 B9R0.46 C=CCCSCC(=O)NC 62a_100000754431_100000183359 [0,2,0,0,0,0|1,0,1]=4 7178 B9R0.46 C=CCCSCC(=O)OC 62a_100000747449_100000754431 [0,2,0,0,0,0|0,0,1]=3 7179 B9R0.46 C=CCCSCC(=O)OC 62a_100000754431_100000747449 [0,2,0,0,0,0|0,0,1]=3 7180 B9R0.46 C=CCNCCC(=O)NC 2230a_100000738227_100000210623 [0,2,0,0,0,0|1,0,1]=4 7181 B9R0.46 C=CCNCCC(=O)NC 2230a_100020586998_100000737683 [0,2,0,0,0,0|1,0,1]=4 7182 B9R0.46 C=CCNCCC(=O)NC 34a_100000738227_100015514636 [0,2,0,0,0,0|1,0,1]=4 7183 B9R0.46 C=CCNCCC(=O)OC 2230a_100020586998_100000204255 [0,2,0,0,0,0|0,0,1]=3 7184 B9R0.46 C=CCOCCC(=O)CC 1458a_200011217002_100000210202 [0,2,0,0,0,0|1,0,1]=4 7185 B9R0.46 C=CCOCCC(=O)NC 11a_106832991635_200011217002 [0,2,0,0,0,0|1,0,1]=4 7186 B9R0.46 C=CCOCCC(=O)NC 1626a_100102657272_200011217002 [0,2,0,0,0,0|1,0,1]=4 7187 B9R0.46 C=CCOCCC(=O)NC 240690a_100102657272_200011217002 [0,2,0,0,0,0|1,0,1]=4 7188 B9R0.46 C=CCOCCC(=O)NC 34a_100000754576_100015514636 [0,2,0,0,0,0|1,0,1]=4 7189 B9R0.46 C=CCOCCC(=O)NC 34a_200000210373_100012179268 [0,2,0,0,0,0|1,0,1]=4 7190 B9R0.46 C=CCOCCC(=O)NC 527a_100102657272_200011217002 [0,2,0,0,0,0|1,0,1]=4 7191 B9R0.46 C=CCOCCC(=O)OC 34a_200000210373_100000742370 [0,2,0,0,0,0|0,0,1]=3 7192 B9R0.46 C=CCSCCC(=O)NC 62a_100000210623_100000737683 [0,2,0,0,0,0|1,0,1]=4 7193 B9R0.46 C=CCSCCC(=O)NC 62a_100000737683_100000210623 [0,2,0,0,0,0|1,0,1]=4 7194 B9R0.46 C=CCSCCC(=O)OC 62a_100000204255_100000210623 [0,2,0,0,0,0|0,0,1]=3 7195 B9R0.46 C=CCSCCC(=O)OC 62a_100000210623_100000204255 [0,2,0,0,0,0|0,0,1]=3 7196 B9R0.46 C=CCSCOC(=O)OC 62a_100000210623_100000139417 [0,2,0,0,0,0|0,0,2]=4 7197 B9R0.46 CC#CCNCC(=O)NC 2230a_100000685387_100000183359 [0,2,0,0,0,0|1,0,1]=4 7198 B9R0.46 CC#CCNCC(=O)NC 2230a_100000693194_100000748600 [0,2,0,0,0,0|1,0,1]=4 7199 B9R0.46 CC#CCNCC(=O)NC 34a_100000685387_100000183359 [0,2,0,0,0,0|1,0,1]=4 7200 B9R0.46 CC#CCNCC(=O)OC 2230a_100000685387_100000747449 [0,2,0,0,0,0|0,0,1]=3 7201 B9R0.46 CC#CCNCC(=O)OC 34a_100000685387_100000747449 [0,2,0,0,0,0|0,0,1]=3 7202 B9R0.46 CC#CCOCC(=O)CC 34a_100000725409_100000748600 [0,2,0,0,0,0|1,0,1]=4 7203 B9R0.46 CC#CCOCC(=O)NC 34a_100000750040_100000748600 [0,2,0,0,0,0|1,0,1]=4 7204 B9R0.46 CC#CCOCC(=O)NC 34a_100000761923_100000183359 [0,2,0,0,0,0|1,0,1]=4 7205 B9R0.46 CC#CCOCC(=O)OC 34a_100000761923_100000747449 [0,2,0,0,0,0|0,0,1]=3 7206 B9R0.46 CC#CCSCC(=O)CC 62a_100000747405_100000748600 [0,2,0,0,0,0|1,0,1]=4 7207 B9R0.46 CC#CCSCC(=O)CC 62a_100000748600_100000747405 [0,2,0,0,0,0|1,0,1]=4 7208 B9R0.46 CC#CCSCC(=O)NC 62a_100000183359_100000748600 [0,2,0,0,0,0|1,0,1]=4 7209 B9R0.46 CC#CCSCC(=O)NC 62a_100000748600_100000183359 [0,2,0,0,0,0|1,0,1]=4 7210 B9R0.46 CC#CCSCC(=O)OC 62a_100000747449_100000748600 [0,2,0,0,0,0|0,0,1]=3 7211 B9R0.46 CC#CCSCC(=O)OC 62a_100000748600_100000747449 [0,2,0,0,0,0|0,0,1]=3 7212 B9R0.46 CC/C=C\CCC(=O)CC 1458a_100000210414_100015370543 [0,2,0,0,0,0|1,0,0]=3 7213 B9R0.46 CC/C=C\CCC(=O)CO 1458a_100000210174_100015370543 [0,2,0,0,0,0|2,0,0]=4 7214 B9R0.46 CC=CCNCC(=O)NC 2230a_100000693194_100000070051 [0,2,0,0,0,0|1,0,1]=4 7215 B9R0.46 CC=CCOCC(=O)CC 34a_100000725409_100000070051 [0,2,0,0,0,0|1,0,1]=4 7216 B9R0.46 CC=CCOCC(=O)NC 34a_100000750040_100000070051 [0,2,0,0,0,0|1,0,1]=4 7217 B9R0.46 CC=CCSCC(=O)CC 62a_100000070051_100000747405 [0,2,0,0,0,0|1,0,1]=4 7218 B9R0.46 CC=CCSCC(=O)CC 62a_100000747405_100000070051 [0,2,0,0,0,0|1,0,1]=4 7219 B9R0.46 CC=CCSCC(=O)NC 62a_100000070051_100000183359 [0,2,0,0,0,0|1,0,1]=4 7220 B9R0.46 CC=CCSCC(=O)NC 62a_100000183359_100000070051 [0,2,0,0,0,0|1,0,1]=4 7221 B9R0.46 CC=CCSCC(=O)OC 62a_100000070051_100000747449 [0,2,0,0,0,0|0,0,1]=3 7222 B9R0.46 CC=CCSCC(=O)OC 62a_100000747449_100000070051 [0,2,0,0,0,0|0,0,1]=3 7223 B9R0.46 CCC(=O)CCCCC#N 1458a_100000210414_100000211819 [0,2,0,0,0,0|1,0,0]=3 7224 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [0,2,0,0,0,0|1,0,0]=3 7225 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [0,2,0,0,0,0|1,0,0]=3 7226 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [0,2,0,0,0,0|1,0,0]=3 7227 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [0,2,0,0,0,0|1,0,0]=3 7228 B9R0.46 CCC(=O)CCCN=[N+]=[N-] 1458a_100010262590_100000210202 [0,2,0,0,0,0|2,0,0]=4 7229 B9R0.46 CCC(=O)CCOCC#N 1458a_100000210414_200000047693 [0,2,0,0,0,0|1,0,1]=4 7230 B9R0.46 CCC(=O)CCOCCO 1458a_100000210414_100011215305 [0,2,0,0,0,0|1,0,0]=3 7231 B9R0.46 CCC(=O)CCOCCO 1458a_100011229844_100000210202 [0,2,0,0,0,0|1,0,0]=3 7232 B9R0.46 CCC(=O)COCCCF 34a_100000725409_100011934791 [0,2,0,0,0,0|1,0,0]=3 7233 B9R0.46 CCC(=O)COCCCO 34a_100000725409_100000230001 [0,2,0,0,0,0|1,0,0]=3 7234 B9R0.46 CCC(=O)COCCOC 1458a_100000211095_100000210202 [0,2,0,0,0,0|1,0,0]=3 7235 B9R0.46 CCC(=O)COCCOC 34a_100000725409_100011201679 [0,2,0,0,0,0|1,0,0]=3 7236 B9R0.46 CCC(=O)COCCSC 34a_100000725409_100000212216 [0,2,0,0,0,0|1,0,0]=3 7237 B9R0.46 CCC(=O)COCCSC 7a_100000230434_100000747405 [0,2,0,0,0,0|1,0,0]=3 7238 B9R0.46 CCC(=O)CSCCC#N 62a_100000747405_100011215226 [0,2,0,0,0,0|1,0,1]=4 7239 B9R0.46 CCC(=O)CSCCC#N 62a_100011215226_100000747405 [0,2,0,0,0,0|1,0,1]=4 7240 B9R0.46 CCC(=O)CSCCCF 62a_100000747405_100011934791 [0,2,0,0,0,0|1,0,0]=3 7241 B9R0.46 CCC(=O)CSCCCF 62a_100011934791_100000747405 [0,2,0,0,0,0|1,0,0]=3 7242 B9R0.46 CCC(=O)CSCCCO 62a_100000747405_100011215043 [0,2,0,0,0,0|1,0,0]=3 7243 B9R0.46 CCC(=O)CSCCCO 62a_100011215043_100000747405 [0,2,0,0,0,0|1,0,0]=3 7244 B9R0.46 CCC(=O)CSCCOC 62a_100000233755_100000747405 [0,2,0,0,0,0|1,0,0]=3 7245 B9R0.46 CCC(=O)CSCCOC 62a_100000747405_100000233755 [0,2,0,0,0,0|1,0,0]=3 7246 B9R0.46 CCC(=O)CSCCSC 62a_100000212216_100000747405 [0,2,0,0,0,0|1,0,0]=3 7247 B9R0.46 CCC(=O)CSCCSC 62a_100000747405_100000751147 [0,2,0,0,0,0|1,0,0]=3 7248 B9R0.46 CCC(=O)NCCCCO 240690a_100000750430_100000210414 [0,2,0,0,0,0|1,0,0]=3 7249 B9R0.46 CCC(=O)NCCCCO 527a_100000750430_100000210414 [0,2,0,0,0,0|1,0,0]=3 7250 B9R0.46 CCC(=O)NCCCOC 1626a_100150723488_100000210414 [0,2,0,0,0,0|1,0,0]=3 7251 B9R0.46 CCC(=O)NCCCOC 240690a_100150723488_100000210414 [0,2,0,0,0,0|1,0,0]=3 7252 B9R0.46 CCC(=O)NCCCOC 527a_100150723488_100000210414 [0,2,0,0,0,0|1,0,0]=3 7253 B9R0.46 CCC(=O)NCCCSC 11a_100000749238_100000210414 [0,2,0,0,0,0|1,0,0]=3 7254 B9R0.46 CCC(=O)NCCCSC 1626a_100000749238_100000210414 [0,2,0,0,0,0|1,0,0]=3 7255 B9R0.46 CCC(=O)NCCCSC 240690a_100000749238_100000210414 [0,2,0,0,0,0|1,0,0]=3 7256 B9R0.46 CCC(=O)NCCCSC 527a_100000749238_100000210414 [0,2,0,0,0,0|1,0,0]=3 7257 B9R0.46 CCC(=O)NCCNCF 34a_100132302217_100015361967 [0,2,0,0,0,0|2,0,0]=4 7258 B9R0.46 CCC(=O)NCCOCF 34a_200000158885_100015361967 [0,2,0,0,0,0|2,0,0]=4 7259 B9R0.46 CCC(=O)NCCOCF 7a_200000158885_100015361967 [0,2,0,0,0,0|2,0,0]=4 7260 B9R0.46 CCC(=O)NNCCOC 22a_100000741390_100000210414 [0,2,0,0,0,0|2,0,0]=4 7261 B9R0.46 CCC(=O)OCCOCF 7a_200000031056_100015361967 [0,2,0,0,0,0|2,0,0]=4 7262 B9R0.46 CCC/C=C/CC(=O)CC 1458a_200016266809_100000210202 [0,2,0,0,0,0|1,0,0]=3 7263 B9R0.46 CCC/C=C/CC(=O)CF 1458a_200016266809_100015361967 [0,2,0,0,0,0|2,0,0]=4 7264 B9R0.46 CCC/C=C/CC(=O)NC 11a_106832991635_200016266809 [0,2,0,0,0,0|1,0,0]=3 7265 B9R0.46 CCC/C=C/CC(=O)NC 1626a_100102657272_200016266809 [0,2,0,0,0,0|1,0,0]=3 7266 B9R0.46 CCC/C=C/CC(=O)NC 240690a_100102657272_200016266809 [0,2,0,0,0,0|1,0,0]=3 7267 B9R0.46 CCC/C=C/CC(=O)NC 527a_100102657272_200016266809 [0,2,0,0,0,0|1,0,0]=3 7268 B9R0.46 CCCC=NNC(=O)CC 4a_100000183195_100000185831 [0,2,0,0,0,0|1,0,1]=4 7269 B9R0.46 CCCCC=CC(=O)CC 1458a_100016266645_100000210202 [0,2,0,0,0,0|1,0,0]=3 7270 B9R0.46 CCCCC=CC(=O)CF 1458a_100016266645_100015361967 [0,2,0,0,0,0|2,0,0]=4 7271 B9R0.46 CCCCC=CC(=O)NC 11a_106832991635_100016266645 [0,2,0,0,0,0|1,0,0]=3 7272 B9R0.46 CCCCC=CC(=O)NC 1626a_100102657272_100016266645 [0,2,0,0,0,0|1,0,0]=3 7273 B9R0.46 CCCCC=CC(=O)NC 240690a_100102657272_100016266645 [0,2,0,0,0,0|1,0,0]=3 7274 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [0,2,0,0,0,0|1,0,0]=3 7275 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [0,2,0,0,0,0|1,0,0]=3 7276 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [0,2,0,0,0,0|2,0,0]=4 7277 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [0,2,0,0,0,0|2,0,0]=4 7278 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [0,2,0,0,0,0|1,0,0]=3 7279 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [0,2,0,0,0,0|1,0,0]=3 7280 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [0,2,0,0,0,0|1,0,0]=3 7281 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [0,2,0,0,0,0|1,0,0]=3 7282 B9R0.46 CCCCCCC(C)OC 34a_100000210265_200000210301 [0,2,0,0,0,0|1,0,1]=4 7283 B9R0.46 CCCCCCC(C)OC 34a_100138415774_100011215978 [0,2,0,0,0,0|1,0,1]=4 7284 B9R0.46 CCCCCCC(C)OC 7a_100000210265_200000210301 [0,2,0,0,0,0|1,0,1]=4 7285 B9R0.46 CCCCCCC(C)O[13CH3] 34a_100000210265_200025704644 [0,2,0,0,0,0|1,0,1]=4 7286 B9R0.46 CCCCCCC(C)O[13CH3] 7a_100000210265_200025704644 [0,2,0,0,0,0|1,0,1]=4 7287 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [0,2,0,0,0,0|1,0,0]=3 7288 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [0,2,0,0,0,0|1,0,0]=3 7289 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [0,2,0,0,0,0|1,0,0]=3 7290 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [0,2,0,0,0,0|1,0,0]=3 7291 B9R0.46 CCCCCNC(=O)CO 240690a_100000209983_100000210174 [0,2,0,0,0,0|2,0,0]=4 7292 B9R0.46 CCCCCNC(=O)CO 527a_100000209983_100000210174 [0,2,0,0,0,0|2,0,0]=4 7293 B9R0.46 CCCCCNC(=O)NC 2708a_100000209983_106832991635 [0,2,0,0,0,0|1,0,0]=3 7294 B9R0.46 CCCCCNC(=O)NC 2708a_100102657272_100000209983 [0,2,0,0,0,0|1,0,0]=3 7295 B9R0.46 CCCCCNC(=O)NC 273464a_100000209983_100102657272 [0,2,0,0,0,0|1,0,0]=3 7296 B9R0.46 CCCCCNC(=O)NC 273464a_100102657272_100000209983 [0,2,0,0,0,0|1,0,0]=3 7297 B9R0.46 CCCCCNC(=O)NC 512a_100000209983_100102657272 [0,2,0,0,0,0|1,0,0]=3 7298 B9R0.46 CCCCCNC(=O)NC 512a_106832991638_100000209983 [0,2,0,0,0,0|1,0,0]=3 7299 B9R0.46 CCCCCSC(C)OC 62a_100000210326_100009879195 [0,2,0,0,0,0|1,0,1]=4 7300 B9R0.46 CCCCCSC(C)OC 62a_100009879195_100000210326 [0,2,0,0,0,0|1,0,1]=4 7301 B9R0.46 CCCCNCC(=O)CC 7a_106832991798_100000747405 [0,2,0,0,0,0|1,0,0]=3 7302 B9R0.46 CCCCNCC(=O)NC 2230a_100000102301_100000183359 [0,2,0,0,0,0|1,0,0]=3 7303 B9R0.46 CCCCNCC(=O)NC 2230a_100000693194_100000210211 [0,2,0,0,0,0|1,0,0]=3 7304 B9R0.46 CCCCNCC(=O)NC 7a_106832991798_100000183359 [0,2,0,0,0,0|1,0,0]=3 7305 B9R0.46 CCCCNCC(=O)OC 2230a_100000102301_100000747449 [0,2,0,0,0,0|0,0,0]=2 7306 B9R0.46 CCCCNCC(=O)OC 7a_106832991798_100000747449 [0,2,0,0,0,0|0,0,0]=2 7307 B9R0.46 CCCCNC[C@@H](C)OC 2230a_100020591295_100000210211 [0,2,0,0,0,0|1,0,1]=4 7308 B9R0.46 CCCCNNC(=O)CC 22a_100025702795_100000210414 [0,2,0,0,0,0|1,0,0]=3 7309 B9R0.46 CCCCNNC(=O)CO 22a_100025702795_100000210174 [0,2,0,0,0,0|2,0,0]=4 7310 B9R0.46 CCCCNNC(=O)NC 273464a_100102657272_100025702795 [0,2,0,0,0,0|1,0,0]=3 7311 B9R0.46 CCCCNNC(=O)NC 512a_100025702795_100102657272 [0,2,0,0,0,0|1,0,0]=3 7312 B9R0.46 CCCCNNC(=O)NC 512a_106832991638_100025702795 [0,2,0,0,0,0|1,0,0]=3 7313 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [0,2,0,0,0,0|1,0,0]=3 7314 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [0,2,0,0,0,0|1,0,0]=3 7315 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [0,2,0,0,0,0|1,0,0]=3 7316 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [0,2,0,0,0,0|1,0,0]=3 7317 B9R0.46 CCCCOCC(=O)CF 1458a_100000757543_100015361967 [0,2,0,0,0,0|2,0,0]=4 7318 B9R0.46 CCCCOCC(=O)CO 1458a_100000210174_100011995733 [0,2,0,0,0,0|2,0,0]=4 7319 B9R0.46 CCCCOCC(=O)NC 11a_106832991635_100000757543 [0,2,0,0,0,0|1,0,0]=3 7320 B9R0.46 CCCCOCC(=O)NC 1626a_100102657272_100000757543 [0,2,0,0,0,0|1,0,0]=3 7321 B9R0.46 CCCCOCC(=O)NC 240690a_100102657272_100000757543 [0,2,0,0,0,0|1,0,0]=3 7322 B9R0.46 CCCCOCC(=O)NC 34a_100000210227_100000183359 [0,2,0,0,0,0|1,0,0]=3 7323 B9R0.46 CCCCOCC(=O)NC 34a_100000750040_100000210210 [0,2,0,0,0,0|1,0,0]=3 7324 B9R0.46 CCCCOCC(=O)NC 527a_100102657272_100000757543 [0,2,0,0,0,0|1,0,0]=3 7325 B9R0.46 CCCCOCC(=O)NC 7a_100000210227_100000183359 [0,2,0,0,0,0|1,0,0]=3 7326 B9R0.46 CCCCOCC(=O)OC 34a_100000210227_100000747449 [0,2,0,0,0,0|0,0,0]=2 7327 B9R0.46 CCCCOCC(=O)OC 7a_100000210227_100000747449 [0,2,0,0,0,0|0,0,0]=2 7328 B9R0.46 CCCCOCC(C)OC 34a_100000690652_100000210210 [0,2,0,0,0,0|1,0,1]=4 7329 B9R0.46 CCCCOCC(C)OC 34a_100011217071_200000210301 [0,2,0,0,0,0|1,0,1]=4 7330 B9R0.46 CCCCOCC(C)OC 7a_100011217071_200000210301 [0,2,0,0,0,0|1,0,1]=4 7331 B9R0.46 CCCCOCC(C)O[13CH3] 34a_100011217071_200025704644 [0,2,0,0,0,0|1,0,1]=4 7332 B9R0.46 CCCCOCC(C)O[13CH3] 7a_100011217071_200025704644 [0,2,0,0,0,0|1,0,1]=4 7333 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [0,2,0,0,0,0|1,0,0]=3 7334 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [0,2,0,0,0,0|1,0,0]=3 7335 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [0,2,0,0,0,0|1,0,0]=3 7336 B9R0.46 CCCCSCC(=O)CF 1458a_100000191162_100015361967 [0,2,0,0,0,0|2,0,0]=4 7337 B9R0.46 CCCCSCC(=O)NC 11a_106832991635_100000191162 [0,2,0,0,0,0|1,0,0]=3 7338 B9R0.46 CCCCSCC(=O)NC 1626a_100102657272_100000191162 [0,2,0,0,0,0|1,0,0]=3 7339 B9R0.46 CCCCSCC(=O)NC 240690a_100102657272_100000191162 [0,2,0,0,0,0|1,0,0]=3 7340 B9R0.46 CCCCSCC(=O)NC 527a_100102657272_100000191162 [0,2,0,0,0,0|1,0,0]=3 7341 B9R0.46 CCCCSCC(=O)NC 62a_100000183359_100000210210 [0,2,0,0,0,0|1,0,0]=3 7342 B9R0.46 CCCCSCC(=O)NC 62a_100000210211_100000183359 [0,2,0,0,0,0|1,0,0]=3 7343 B9R0.46 CCCCSCC(=O)OC 62a_100000210211_100000747449 [0,2,0,0,0,0|0,0,0]=2 7344 B9R0.46 CCCCSCC(=O)OC 62a_100000747449_100000210210 [0,2,0,0,0,0|0,0,0]=2 7345 B9R0.46 CCCNCCC(=O)NC 2230a_100000738227_100000210303 [0,2,0,0,0,0|1,0,0]=3 7346 B9R0.46 CCCNCCC(=O)NC 34a_100000738227_100000210303 [0,2,0,0,0,0|1,0,0]=3 7347 B9R0.46 CCCNN=CC(=O)OC 4a_100000740057_200011823558 [0,2,0,0,0,0|0,0,1]=3 7348 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [0,2,0,0,0,0|1,0,0]=3 7349 B9R0.46 CCCOCCC(=O)CO 1458a_100000210174_100011215938 [0,2,0,0,0,0|2,0,0]=4 7350 B9R0.46 CCCOCCC(=O)NC 34a_100000210258_100012179268 [0,2,0,0,0,0|1,0,0]=3 7351 B9R0.46 CCCOCCC(=O)NC 34a_100000754576_100000210303 [0,2,0,0,0,0|1,0,0]=3 7352 B9R0.46 CCCOCCC(=O)OC 34a_100000210258_100000742370 [0,2,0,0,0,0|0,0,0]=2 7353 B9R0.46 CCCOCCC(C)OC 7a_100000764861_100000210303 [0,2,0,0,0,0|1,0,1]=4 7354 B9R0.46 CCCSCCC(=O)NC 62a_100000210303_100000737683 [0,2,0,0,0,0|1,0,0]=3 7355 B9R0.46 CCCSCCC(=O)NC 62a_100000737683_100000210303 [0,2,0,0,0,0|1,0,0]=3 7356 B9R0.46 CCCSCCC(=O)OC 62a_100000204255_100000210303 [0,2,0,0,0,0|0,0,0]=2 7357 B9R0.46 CCCSCCC(=O)OC 62a_100000210303_100000204255 [0,2,0,0,0,0|0,0,0]=2 7358 B9R0.46 CCCSCOC(=O)OC 62a_100000210303_100000139417 [0,2,0,0,0,0|0,0,0]=2 7359 B9R0.46 CCNC/C=C/C(=O)OC 2230a_100015525214_100000742655 [0,2,0,0,0,0|0,0,1]=3 7360 B9R0.46 CCNCCCC(=O)NC 2230a_100000740002_100000210202 [0,2,0,0,0,0|1,0,0]=3 7361 B9R0.46 CCNCCCC(=O)NC 2230a_100015525214_100000741757 [0,2,0,0,0,0|1,0,0]=3 7362 B9R0.46 CCNCCCC(=O)NC 34a_100000740002_100000210202 [0,2,0,0,0,0|1,0,0]=3 7363 B9R0.46 CCNCCCC(=O)OC 2230a_100015525214_100011218270 [0,2,0,0,0,0|0,0,0]=2 7364 B9R0.46 CCNCCNC(=O)CC 34a_100132302217_100000210202 [0,2,0,0,0,0|1,0,0]=3 7365 B9R0.46 CCNCCNC(=O)NC 34a_100015205895_100000210202 [0,2,0,0,0,0|1,0,0]=3 7366 B9R0.46 CCNN=CCC(=O)OC 4a_100000756455_200011552997 [0,2,0,0,0,0|0,0,1]=3 7367 B9R0.46 CCOC/C=C/C(=O)OC 34a_100121572206_100000742655 [0,2,0,0,0,0|0,0,1]=3 7368 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [0,2,0,0,0,0|1,0,0]=3 7369 B9R0.46 CCOCCCC(=O)CO 1458a_100000210174_100012232248 [0,2,0,0,0,0|2,0,0]=4 7370 B9R0.46 CCOCCCC(=O)NC 34a_100121572206_100000741757 [0,2,0,0,0,0|1,0,0]=3 7371 B9R0.46 CCOCCCC(=O)NN 34a_100000211488_100000210202 [0,2,0,0,0,0|2,0,0]=4 7372 B9R0.46 CCOCCCC(=O)OC 34a_100121572206_100000742333 [0,2,0,0,0,0|0,0,0]=2 7373 B9R0.46 CCOCCNC(=O)CC 11a_100011200944_100000210414 [0,2,0,0,0,0|1,0,0]=3 7374 B9R0.46 CCOCCNC(=O)CC 1626a_102516460346_100000210414 [0,2,0,0,0,0|1,0,0]=3 7375 B9R0.46 CCOCCNC(=O)CC 240690a_100011200944_100000210414 [0,2,0,0,0,0|1,0,0]=3 7376 B9R0.46 CCOCCNC(=O)CC 34a_200000158885_100000210202 [0,2,0,0,0,0|1,0,0]=3 7377 B9R0.46 CCOCCNC(=O)CC 527a_100011200944_100000210414 [0,2,0,0,0,0|1,0,0]=3 7378 B9R0.46 CCOCCNC(=O)CC 7a_200000158885_100000210202 [0,2,0,0,0,0|1,0,0]=3 7379 B9R0.46 CCOCCNC(=O)CO 240690a_100011200944_100000210174 [0,2,0,0,0,0|2,0,0]=4 7380 B9R0.46 CCOCCNC(=O)CO 527a_100011200944_100000210174 [0,2,0,0,0,0|2,0,0]=4 7381 B9R0.46 CCOCCNC(=O)NC 2708a_100011200944_106832991635 [0,2,0,0,0,0|1,0,0]=3 7382 B9R0.46 CCOCCNC(=O)NC 2708a_100102657272_100011200944 [0,2,0,0,0,0|1,0,0]=3 7383 B9R0.46 CCOCCNC(=O)NC 273464a_100102657272_102516460346 [0,2,0,0,0,0|1,0,0]=3 7384 B9R0.46 CCOCCNC(=O)NC 273464a_102516460346_100102657272 [0,2,0,0,0,0|1,0,0]=3 7385 B9R0.46 CCOCCNC(=O)NC 512a_100011200944_100102657272 [0,2,0,0,0,0|1,0,0]=3 7386 B9R0.46 CCOCCNC(=O)NC 512a_106832991638_100011200944 [0,2,0,0,0,0|1,0,0]=3 7387 B9R0.46 CCOCCNC(=O)OC 34a_100000757965_100000210202 [0,2,0,0,0,0|0,0,0]=2 7388 B9R0.46 CCOCCOC(=O)CC 7a_200000031056_100000210202 [0,2,0,0,0,0|1,0,0]=3 7389 B9R0.46 CCOCCOC(=O)NC 34a_100121572206_200011997002 [0,2,0,0,0,0|1,0,0]=3 7390 B9R0.46 CCOCCOC(=O)OC 34a_100010262106_100000210202 [0,2,0,0,0,0|0,0,0]=2 7391 B9R0.46 CCOCCSC(C)OC 62a_100000210147_100009879195 [0,2,0,0,0,0|1,0,1]=4 7392 B9R0.46 CCOCCSC(C)OC 62a_100009879195_100011215890 [0,2,0,0,0,0|1,0,1]=4 7393 B9R0.46 CCOCSCC(=O)CC 62a_100000739092_100000747405 [0,2,0,0,0,0|1,0,0]=3 7394 B9R0.46 CCOCSCC(=O)CC 62a_100000747405_100000739092 [0,2,0,0,0,0|1,0,0]=3 7395 B9R0.46 CCOCSCC(=O)NC 62a_100000183359_100000739092 [0,2,0,0,0,0|1,0,0]=3 7396 B9R0.46 CCOCSCC(=O)NC 62a_100000739092_100000183359 [0,2,0,0,0,0|1,0,0]=3 7397 B9R0.46 CCOCSCC(=O)OC 62a_100000739092_100000747449 [0,2,0,0,0,0|0,0,0]=2 7398 B9R0.46 CCOCSCC(=O)OC 62a_100000747449_100000739092 [0,2,0,0,0,0|0,0,0]=2 7399 B9R0.46 CCSC/C=C/C(=O)OC 62a_100000210202_100000742655 [0,2,0,0,0,0|0,0,1]=3 7400 B9R0.46 CCSC/C=C/C(=O)OC 62a_100000742655_100000210202 [0,2,0,0,0,0|0,0,1]=3 7401 B9R0.46 CCSCCCC(=O)NC 62a_100000210202_100000741757 [0,2,0,0,0,0|1,0,0]=3 7402 B9R0.46 CCSCCCC(=O)NC 62a_100000741757_100000210202 [0,2,0,0,0,0|1,0,0]=3 7403 B9R0.46 CCSCCCC(=O)OC 62a_100000210202_100011218270 [0,2,0,0,0,0|0,0,0]=2 7404 B9R0.46 CCSCCCC(=O)OC 62a_100011218270_100000210202 [0,2,0,0,0,0|0,0,0]=2 7405 B9R0.46 CCSCCNC(=O)CC 11a_100000106463_100000210414 [0,2,0,0,0,0|1,0,0]=3 7406 B9R0.46 CCSCCNC(=O)CC 1626a_100000106463_100000210414 [0,2,0,0,0,0|1,0,0]=3 7407 B9R0.46 CCSCCNC(=O)CC 240690a_100000106463_100000210414 [0,2,0,0,0,0|1,0,0]=3 7408 B9R0.46 CCSCCNC(=O)CC 527a_100000106463_100000210414 [0,2,0,0,0,0|1,0,0]=3 7409 B9R0.46 CCSCCNC(=O)CO 240690a_100000106463_100000210174 [0,2,0,0,0,0|2,0,0]=4 7410 B9R0.46 CCSCCNC(=O)CO 527a_100000106463_100000210174 [0,2,0,0,0,0|2,0,0]=4 7411 B9R0.46 CCSCCNC(=O)NC 2708a_100000106463_106832991635 [0,2,0,0,0,0|1,0,0]=3 7412 B9R0.46 CCSCCNC(=O)NC 2708a_100102657272_100000106463 [0,2,0,0,0,0|1,0,0]=3 7413 B9R0.46 CCSCCNC(=O)NC 273464a_100000106463_100102657272 [0,2,0,0,0,0|1,0,0]=3 7414 B9R0.46 CCSCCNC(=O)NC 273464a_100102657272_100000106463 [0,2,0,0,0,0|1,0,0]=3 7415 B9R0.46 CCSCCNC(=O)NC 512a_100000106463_100102657272 [0,2,0,0,0,0|1,0,0]=3 7416 B9R0.46 CCSCCNC(=O)NC 512a_106832991638_100000106463 [0,2,0,0,0,0|1,0,0]=3 7417 B9R0.46 CCSCCOC(=O)NC 62a_100000210202_200011997002 [0,2,0,0,0,0|1,0,0]=3 7418 B9R0.46 CCSCCOC(=O)NC 62a_200011997002_100000210202 [0,2,0,0,0,0|1,0,0]=3 7419 B9R0.46 CCSCCSC(C)OC 62a_100000757381_100009879195 [0,2,0,0,0,0|1,0,1]=4 7420 B9R0.46 CCSCCSC(C)OC 62a_100009879195_100000757381 [0,2,0,0,0,0|1,0,1]=4 7421 B9R0.46 CNC(=O)CCCCCO 240690a_100102657272_100102619762 [0,2,0,0,0,0|1,0,0]=3 7422 B9R0.46 CNC(=O)CCCN=[N+]=[N-] 11a_106832991635_100010262590 [0,2,0,0,0,0|2,0,0]=4 7423 B9R0.46 CNC(=O)CCCN=[N+]=[N-] 240690a_100102657272_100010262590 [0,2,0,0,0,0|2,0,0]=4 7424 B9R0.46 CNC(=O)CCCN=[N+]=[N-] 527a_100102657272_100010262590 [0,2,0,0,0,0|2,0,0]=4 7425 B9R0.46 CNC(=O)CCCNCF 34a_100000740002_100015361967 [0,2,0,0,0,0|1,0,0]=3 7426 B9R0.46 CNC(=O)CCCSCF 62a_100000741757_100015361967 [0,2,0,0,0,0|1,0,0]=3 7427 B9R0.46 CNC(=O)CCCSCF 62a_100015361967_100000741757 [0,2,0,0,0,0|1,0,0]=3 7428 B9R0.46 CNC(=O)CCNCC#N 2230a_100000738227_100011215382 [0,2,0,0,0,0|1,0,1]=4 7429 B9R0.46 CNC(=O)CCNCC=O 2230a_100000738227_200015260668 [0,2,0,0,0,0|1,0,1]=4 7430 B9R0.46 CNC(=O)CCNCC=O 34a_100000738227_200009817547 [0,2,0,0,0,0|1,0,1]=4 7431 B9R0.46 CNC(=O)CCNCCF 2230a_100000738227_100011217306 [0,2,0,0,0,0|1,0,0]=3 7432 B9R0.46 CNC(=O)CCNCCF 34a_100000724931_100012179268 [0,2,0,0,0,0|1,0,0]=3 7433 B9R0.46 CNC(=O)CCNCCF 34a_100000738227_100011217306 [0,2,0,0,0,0|1,0,0]=3 7434 B9R0.46 CNC(=O)CCNCCO 2230a_100000738227_100000211926 [0,2,0,0,0,0|1,0,0]=3 7435 B9R0.46 CNC(=O)CCNCCO 2230a_100016997473_100000737683 [0,2,0,0,0,0|1,0,0]=3 7436 B9R0.46 CNC(=O)CCNCCO 34a_100000738227_100000211926 [0,2,0,0,0,0|1,0,0]=3 7437 B9R0.46 CNC(=O)CCNCCO 34a_100016990907_100012179268 [0,2,0,0,0,0|1,0,0]=3 7438 B9R0.46 CNC(=O)CCNCOC 2230a_100000738227_100000766300 [0,2,0,0,0,0|1,0,0]=3 7439 B9R0.46 CNC(=O)CCNCSC 2230a_100000738227_100011218213 [0,2,0,0,0,0|1,0,0]=3 7440 B9R0.46 CNC(=O)CCNCSC 34a_100000738227_100011218213 [0,2,0,0,0,0|1,0,0]=3 7441 B9R0.46 CNC(=O)CCOCC=O 34a_100000754576_200009817547 [0,2,0,0,0,0|1,0,1]=4 7442 B9R0.46 CNC(=O)CCOCCBr 34a_100000211926_100012179268 [0,2,0,0,0,0|1,0,0]=3 7443 B9R0.46 CNC(=O)CCOCCF 34a_100000754576_100011217306 [0,2,0,0,0,0|1,0,0]=3 7444 B9R0.46 CNC(=O)CCOCCN 34a_100000210304_100012179268 [0,2,0,0,0,0|1,0,0]=3 7445 B9R0.46 CNC(=O)CCOCCO 1626a_100102657272_100011229844 [0,2,0,0,0,0|1,0,0]=3 7446 B9R0.46 CNC(=O)CCOCCO 240690a_100102657272_100011229844 [0,2,0,0,0,0|1,0,0]=3 7447 B9R0.46 CNC(=O)CCOCCO 34a_100000754576_100000211926 [0,2,0,0,0,0|1,0,0]=3 7448 B9R0.46 CNC(=O)CCOCSC 34a_100000754576_100011218213 [0,2,0,0,0,0|1,0,0]=3 7449 B9R0.46 CNC(=O)CCSCC#N 62a_100000737683_100011215382 [0,2,0,0,0,0|1,0,1]=4 7450 B9R0.46 CNC(=O)CCSCC#N 62a_100011215382_100000737683 [0,2,0,0,0,0|1,0,1]=4 7451 B9R0.46 CNC(=O)CCSCC=O 62a_100000737683_200015260668 [0,2,0,0,0,0|1,0,1]=4 7452 B9R0.46 CNC(=O)CCSCC=O 62a_200015260668_100000737683 [0,2,0,0,0,0|1,0,1]=4 7453 B9R0.46 CNC(=O)CCSCCF 62a_100000737683_100011217306 [0,2,0,0,0,0|1,0,0]=3 7454 B9R0.46 CNC(=O)CCSCCF 62a_100011217306_100000737683 [0,2,0,0,0,0|1,0,0]=3 7455 B9R0.46 CNC(=O)CCSCCO 62a_100000211926_100000737683 [0,2,0,0,0,0|1,0,0]=3 7456 B9R0.46 CNC(=O)CCSCCO 62a_100000737683_100000211926 [0,2,0,0,0,0|1,0,0]=3 7457 B9R0.46 CNC(=O)CCSCOC 62a_100000737683_100000766300 [0,2,0,0,0,0|1,0,0]=3 7458 B9R0.46 CNC(=O)CCSCOC 62a_100000766300_100000737683 [0,2,0,0,0,0|1,0,0]=3 7459 B9R0.46 CNC(=O)CCSCSC 62a_100000737683_100011218213 [0,2,0,0,0,0|1,0,0]=3 7460 B9R0.46 CNC(=O)CCSCSC 62a_100011218213_100000737683 [0,2,0,0,0,0|1,0,0]=3 7461 B9R0.46 CNC(=O)CNCCC#N 2230a_100000693194_100011215226 [0,2,0,0,0,0|1,0,1]=4 7462 B9R0.46 CNC(=O)CNCCCF 2230a_100000693194_100011934791 [0,2,0,0,0,0|1,0,0]=3 7463 B9R0.46 CNC(=O)CNCCCF 2230a_100015189416_100000183359 [0,2,0,0,0,0|1,0,0]=3 7464 B9R0.46 CNC(=O)CNCCCF 34a_100015189416_100000183359 [0,2,0,0,0,0|1,0,0]=3 7465 B9R0.46 CNC(=O)CNCCCO 2230a_100000693194_100000230001 [0,2,0,0,0,0|1,0,0]=3 7466 B9R0.46 CNC(=O)CNCCOC 2230a_100000209980_100000183359 [0,2,0,0,0,0|1,0,0]=3 7467 B9R0.46 CNC(=O)CNCCOC 2230a_100000693194_100011201679 [0,2,0,0,0,0|1,0,0]=3 7468 B9R0.46 CNC(=O)CNCCSC 2230a_100000693194_100000751147 [0,2,0,0,0,0|1,0,0]=3 7469 B9R0.46 CNC(=O)CNCCSC 2230a_100020590264_100000183359 [0,2,0,0,0,0|1,0,0]=3 7470 B9R0.46 CNC(=O)COCCCBr 34a_100011217188_100000183359 [0,2,0,0,0,0|1,0,0]=3 7471 B9R0.46 CNC(=O)COCCCCl 34a_100000230001_100000183359 [0,2,0,0,0,0|1,0,0]=3 7472 B9R0.46 CNC(=O)COCCCF 34a_100000750040_100011934791 [0,2,0,0,0,0|1,0,0]=3 7473 B9R0.46 CNC(=O)COCCCF 34a_100000759539_100000183359 [0,2,0,0,0,0|1,0,0]=3 7474 B9R0.46 CNC(=O)COCCCN 34a_100000182051_100000183359 [0,2,0,0,0,0|1,0,0]=3 7475 B9R0.46 CNC(=O)COCCCO 34a_100000750040_100000230001 [0,2,0,0,0,0|1,0,0]=3 7476 B9R0.46 CNC(=O)COCCOC 11a_106832991635_100000211095 [0,2,0,0,0,0|1,0,0]=3 7477 B9R0.46 CNC(=O)COCCOC 1626a_100102657272_100000211095 [0,2,0,0,0,0|1,0,0]=3 7478 B9R0.46 CNC(=O)COCCOC 240690a_100102657272_100000211095 [0,2,0,0,0,0|1,0,0]=3 7479 B9R0.46 CNC(=O)COCCOC 34a_100000210237_100000183359 [0,2,0,0,0,0|1,0,0]=3 7480 B9R0.46 CNC(=O)COCCOC 34a_100000750040_100011201679 [0,2,0,0,0,0|1,0,0]=3 7481 B9R0.46 CNC(=O)COCCOC 527a_100102657272_100000211095 [0,2,0,0,0,0|1,0,0]=3 7482 B9R0.46 CNC(=O)COCCON 34a_100000700252_100000183359 [0,2,0,0,0,0|2,0,0]=4 7483 B9R0.46 CNC(=O)COCCSC 34a_100000230434_100000183359 [0,2,0,0,0,0|1,0,0]=3 7484 B9R0.46 CNC(=O)COCCSC 34a_100000750040_100000212216 [0,2,0,0,0,0|1,0,0]=3 7485 B9R0.46 CNC(=O)COCCSC 7a_100000230434_100000183359 [0,2,0,0,0,0|1,0,0]=3 7486 B9R0.46 CNC(=O)CSCCC#N 62a_100000183359_100011215226 [0,2,0,0,0,0|1,0,1]=4 7487 B9R0.46 CNC(=O)CSCCC#N 62a_100011215226_100000183359 [0,2,0,0,0,0|1,0,1]=4 7488 B9R0.46 CNC(=O)CSCCCF 62a_100000183359_100011934791 [0,2,0,0,0,0|1,0,0]=3 7489 B9R0.46 CNC(=O)CSCCCF 62a_100011934791_100000183359 [0,2,0,0,0,0|1,0,0]=3 7490 B9R0.46 CNC(=O)CSCCCO 62a_100000183359_100011215043 [0,2,0,0,0,0|1,0,0]=3 7491 B9R0.46 CNC(=O)CSCCCO 62a_100011215043_100000183359 [0,2,0,0,0,0|1,0,0]=3 7492 B9R0.46 CNC(=O)CSCCOC 62a_100000183359_100000233755 [0,2,0,0,0,0|1,0,0]=3 7493 B9R0.46 CNC(=O)CSCCOC 62a_100000233755_100000183359 [0,2,0,0,0,0|1,0,0]=3 7494 B9R0.46 CNC(=O)CSCCSC 62a_100000183359_100000751147 [0,2,0,0,0,0|1,0,0]=3 7495 B9R0.46 CNC(=O)CSCCSC 62a_100000212216_100000183359 [0,2,0,0,0,0|1,0,0]=3 7496 B9R0.46 CNC(=O)NCCCCO 2708a_100000750430_106832991635 [0,2,0,0,0,0|1,0,0]=3 7497 B9R0.46 CNC(=O)NCCCCO 2708a_100102657272_100000750430 [0,2,0,0,0,0|1,0,0]=3 7498 B9R0.46 CNC(=O)NCCCCO 273464a_100000750430_100102657272 [0,2,0,0,0,0|1,0,0]=3 7499 B9R0.46 CNC(=O)NCCCCO 273464a_100102657272_100000750430 [0,2,0,0,0,0|1,0,0]=3 7500 B9R0.46 CNC(=O)NCCCCO 512a_100000750430_100102657272 [0,2,0,0,0,0|1,0,0]=3 7501 B9R0.46 CNC(=O)NCCCCO 512a_106832991638_100000750430 [0,2,0,0,0,0|1,0,0]=3 7502 B9R0.46 CNC(=O)NCCCOC 2708a_100102657272_100150723488 [0,2,0,0,0,0|1,0,0]=3 7503 B9R0.46 CNC(=O)NCCCOC 2708a_100150723488_106832991635 [0,2,0,0,0,0|1,0,0]=3 7504 B9R0.46 CNC(=O)NCCCOC 273464a_100102657272_100150723488 [0,2,0,0,0,0|1,0,0]=3 7505 B9R0.46 CNC(=O)NCCCOC 273464a_100150723488_100102657272 [0,2,0,0,0,0|1,0,0]=3 7506 B9R0.46 CNC(=O)NCCCOC 512a_106832991638_100150723488 [0,2,0,0,0,0|1,0,0]=3 7507 B9R0.46 CNC(=O)NCCCSC 2708a_100000749238_106832991635 [0,2,0,0,0,0|1,0,0]=3 7508 B9R0.46 CNC(=O)NCCCSC 2708a_100102657272_100000749238 [0,2,0,0,0,0|1,0,0]=3 7509 B9R0.46 CNC(=O)NCCCSC 273464a_100000749238_100102657272 [0,2,0,0,0,0|1,0,0]=3 7510 B9R0.46 CNC(=O)NCCCSC 273464a_100102657272_100000749238 [0,2,0,0,0,0|1,0,0]=3 7511 B9R0.46 CNC(=O)NCCCSC 512a_100000749238_100102657272 [0,2,0,0,0,0|1,0,0]=3 7512 B9R0.46 CNC(=O)NCCCSC 512a_106832991638_100000749238 [0,2,0,0,0,0|1,0,0]=3 7513 B9R0.46 CNC(=O)NCCNCF 34a_100015205895_100015361967 [0,2,0,0,0,0|2,0,0]=4 7514 B9R0.46 CNC(=O)NNCCOC 273464a_100102657272_100000741390 [0,2,0,0,0,0|2,0,0]=4 7515 B9R0.46 CNC(=O)OCCSCF 62a_100015361967_200011997002 [0,2,0,0,0,0|2,0,0]=4 7516 B9R0.46 CNC(=O)OCCSCF 62a_200011997002_100015361967 [0,2,0,0,0,0|2,0,0]=4 7517 B9R0.46 CNCCCCC(=O)OC 2230a_106832991635_100000204269 [0,2,0,0,0,0|0,0,0]=2 7518 B9R0.46 CNCCCCC(=O)OC 34a_100102657272_100000204269 [0,2,0,0,0,0|0,0,0]=2 7519 B9R0.46 CNCCCCC(=O)OC 7a_106832991635_100000204269 [0,2,0,0,0,0|0,0,0]=2 7520 B9R0.46 CNCCOCC(=O)OC 2230a_106832991635_100000090808 [0,2,0,0,0,0|0,0,0]=2 7521 B9R0.46 CNCCOCC(=O)OC 34a_100102657272_100000090808 [0,2,0,0,0,0|0,0,0]=2 7522 B9R0.46 CNCCOCC(=O)OC 7a_106832991635_100000090808 [0,2,0,0,0,0|0,0,0]=2 7523 B9R0.46 COC(=O)/C=C/CSCF 62a_100000742655_100015361967 [0,2,0,0,0,0|0,0,2]=4 7524 B9R0.46 COC(=O)/C=C/CSCF 62a_100015361967_100000742655 [0,2,0,0,0,0|0,0,2]=4 7525 B9R0.46 COC(=O)C=NNCCO 4a_100000210001_200011823558 [0,2,0,0,0,0|1,0,1]=4 7526 B9R0.46 COC(=O)CCCCO[13CH3] 34a_100000059025_200025704644 [0,2,0,0,0,0|0,0,0]=2 7527 B9R0.46 COC(=O)CCCCO[13CH3] 7a_100000059025_200025704644 [0,2,0,0,0,0|0,0,0]=2 7528 B9R0.46 COC(=O)CCCCSC 62a_100000204269_200000210301 [0,2,0,0,0,0|0,0,0]=2 7529 B9R0.46 COC(=O)CCCCSC 62a_200000210301_100000204269 [0,2,0,0,0,0|0,0,0]=2 7530 B9R0.46 COC(=O)CCCCS[13CH3] 62a_100000204269_200025704644 [0,2,0,0,0,0|0,0,0]=2 7531 B9R0.46 COC(=O)CCCCS[13CH3] 62a_200025704644_100000204269 [0,2,0,0,0,0|0,0,0]=2 7532 B9R0.46 COC(=O)CCCSCF 62a_100011218270_100015361967 [0,2,0,0,0,0|0,0,0]=2 7533 B9R0.46 COC(=O)CCCSCF 62a_100015361967_100011218270 [0,2,0,0,0,0|0,0,0]=2 7534 B9R0.46 COC(=O)CCNCCF 34a_100000724931_100000742370 [0,2,0,0,0,0|0,0,0]=2 7535 B9R0.46 COC(=O)CCNCCO 2230a_100016997473_100000204255 [0,2,0,0,0,0|0,0,0]=2 7536 B9R0.46 COC(=O)CCNCCO 34a_100016990907_100000742370 [0,2,0,0,0,0|0,0,0]=2 7537 B9R0.46 COC(=O)CCOCCBr 34a_100000211926_100000742370 [0,2,0,0,0,0|0,0,0]=2 7538 B9R0.46 COC(=O)CCOCCN 34a_100000210304_100000742370 [0,2,0,0,0,0|0,0,0]=2 7539 B9R0.46 COC(=O)CCSCC#N 62a_100000204255_100011215382 [0,2,0,0,0,0|0,0,1]=3 7540 B9R0.46 COC(=O)CCSCC#N 62a_100011215382_100000204255 [0,2,0,0,0,0|0,0,1]=3 7541 B9R0.46 COC(=O)CCSCC=O 62a_100000204255_200015260668 [0,2,0,0,0,0|0,0,1]=3 7542 B9R0.46 COC(=O)CCSCC=O 62a_200015260668_100000204255 [0,2,0,0,0,0|0,0,1]=3 7543 B9R0.46 COC(=O)CCSCCF 62a_100000204255_100011217306 [0,2,0,0,0,0|0,0,0]=2 7544 B9R0.46 COC(=O)CCSCCF 62a_100011217306_100000204255 [0,2,0,0,0,0|0,0,0]=2 7545 B9R0.46 COC(=O)CCSCCO 62a_100000204255_100000211926 [0,2,0,0,0,0|0,0,0]=2 7546 B9R0.46 COC(=O)CCSCCO 62a_100000211926_100000204255 [0,2,0,0,0,0|0,0,0]=2 7547 B9R0.46 COC(=O)CCSCSC 62a_100000204255_100011218213 [0,2,0,0,0,0|0,0,0]=2 7548 B9R0.46 COC(=O)CCSCSC 62a_100011218213_100000204255 [0,2,0,0,0,0|0,0,0]=2 7549 B9R0.46 COC(=O)CNCCCF 2230a_100015189416_100000747449 [0,2,0,0,0,0|0,0,0]=2 7550 B9R0.46 COC(=O)CNCCCF 34a_100015189416_100000747449 [0,2,0,0,0,0|0,0,0]=2 7551 B9R0.46 COC(=O)CNCCSC 2230a_100020590264_100000747449 [0,2,0,0,0,0|0,0,0]=2 7552 B9R0.46 COC(=O)COCCCBr 34a_100011217188_100000747449 [0,2,0,0,0,0|0,0,0]=2 7553 B9R0.46 COC(=O)COCCCCl 34a_100000230001_100000747449 [0,2,0,0,0,0|0,0,0]=2 7554 B9R0.46 COC(=O)COCCCF 34a_100000759539_100000747449 [0,2,0,0,0,0|0,0,0]=2 7555 B9R0.46 COC(=O)COCCCN 34a_100000182051_100000747449 [0,2,0,0,0,0|0,0,0]=2 7556 B9R0.46 COC(=O)COCCON 34a_100000700252_100000747449 [0,2,0,0,0,0|1,0,0]=3 7557 B9R0.46 COC(=O)COCCSC 34a_100000230434_100000747449 [0,2,0,0,0,0|0,0,0]=2 7558 B9R0.46 COC(=O)COCCSC 62a_100000090808_200000210301 [0,2,0,0,0,0|0,0,0]=2 7559 B9R0.46 COC(=O)COCCSC 62a_200000210301_100000090808 [0,2,0,0,0,0|0,0,0]=2 7560 B9R0.46 COC(=O)COCCSC 7a_100000230434_100000747449 [0,2,0,0,0,0|0,0,0]=2 7561 B9R0.46 COC(=O)COCCS[13CH3] 62a_100000090808_200025704644 [0,2,0,0,0,0|0,0,0]=2 7562 B9R0.46 COC(=O)COCCS[13CH3] 62a_200025704644_100000090808 [0,2,0,0,0,0|0,0,0]=2 7563 B9R0.46 COC(=O)CSCCC#N 62a_100000747449_100011215226 [0,2,0,0,0,0|0,0,1]=3 7564 B9R0.46 COC(=O)CSCCC#N 62a_100011215226_100000747449 [0,2,0,0,0,0|0,0,1]=3 7565 B9R0.46 COC(=O)CSCCCF 62a_100000747449_100011934791 [0,2,0,0,0,0|0,0,0]=2 7566 B9R0.46 COC(=O)CSCCCF 62a_100011934791_100000747449 [0,2,0,0,0,0|0,0,0]=2 7567 B9R0.46 COC(=O)CSCCCO 62a_100000747449_100011215043 [0,2,0,0,0,0|0,0,0]=2 7568 B9R0.46 COC(=O)CSCCCO 62a_100011215043_100000747449 [0,2,0,0,0,0|0,0,0]=2 7569 B9R0.46 COC(=O)CSCCSC 62a_100000212216_100000747449 [0,2,0,0,0,0|0,0,0]=2 7570 B9R0.46 COC(=O)CSCCSC 62a_100000747449_100000751147 [0,2,0,0,0,0|0,0,0]=2 7571 B9R0.46 COC(=O)CSCSC#N 62a_100000211825_100000747449 [0,2,0,0,0,0|1,0,1]=4 7572 B9R0.46 COC(=O)CSCSC#N 62a_100000747449_100000211825 [0,2,0,0,0,0|1,0,1]=4 7573 B9R0.46 COC(=O)NCCOCF 34a_100000757965_100015361967 [0,2,0,0,0,0|1,0,0]=3 7574 B9R0.46 COC(=O)OCCOCF 34a_100010262106_100015361967 [0,2,0,0,0,0|1,0,0]=3 7575 B9R0.46 COC(=O)OCSCC#N 62a_100011215382_100000139417 [0,2,0,0,0,0|1,0,1]=4 7576 B9R0.46 COC(=O)OCSCC=O 62a_200015260668_100000139417 [0,2,0,0,0,0|1,0,1]=4 7577 B9R0.46 COC(=O)OCSCCF 62a_100011217306_100000139417 [0,2,0,0,0,0|1,0,0]=3 7578 B9R0.46 COC(=O)OCSCCO 62a_100000211926_100000139417 [0,2,0,0,0,0|1,0,0]=3 7579 B9R0.46 COC(=O)OCSCSC 62a_100011218213_100000139417 [0,2,0,0,0,0|1,0,0]=3 7580 B9R0.46 COC(C)CCOCCF 7a_100000764861_100011217306 [0,2,0,0,0,0|1,0,1]=4 7581 B9R0.46 COC(C)CCOCCO 7a_100000764861_100000211926 [0,2,0,0,0,0|1,0,1]=4 7582 B9R0.46 COC(C)COCCCF 34a_100000690652_100011934791 [0,2,0,0,0,0|1,0,1]=4 7583 B9R0.46 COC(C)COCCCO 34a_100000690652_100000230001 [0,2,0,0,0,0|1,0,1]=4 7584 B9R0.46 COC(C)COCCSC 34a_100000690652_100000212216 [0,2,0,0,0,0|1,0,1]=4 7585 B9R0.46 COC(C)SCCCCF 62a_100000729493_100009879195 [0,2,0,0,0,0|1,0,1]=4 7586 B9R0.46 COC(C)SCCCCF 62a_100009879195_100000729493 [0,2,0,0,0,0|1,0,1]=4 7587 B9R0.46 COC(C)SCCCCO 62a_100000210776_100009879195 [0,2,0,0,0,0|1,0,1]=4 7588 B9R0.46 COC(C)SCCCCO 62a_100009879195_100000210776 [0,2,0,0,0,0|1,0,1]=4 7589 B9R0.46 COCCCCC(=O)CO 1458a_100000210174_100000755781 [0,2,0,0,0,0|2,0,0]=4 7590 B9R0.46 COCCCCC(=O)OC 34a_100000059025_200000210301 [0,2,0,0,0,0|0,0,0]=2 7591 B9R0.46 COCCCCC(=O)OC 34a_100138415774_100000204269 [0,2,0,0,0,0|0,0,0]=2 7592 B9R0.46 COCCCCC(=O)OC 7a_100000059025_200000210301 [0,2,0,0,0,0|0,0,0]=2 7593 B9R0.46 COCCCNC(=O)CO 240690a_100150723488_100000210174 [0,2,0,0,0,0|2,0,0]=4 7594 B9R0.46 COCCCNC(=O)CO 527a_100150723488_100000210174 [0,2,0,0,0,0|2,0,0]=4 7595 B9R0.46 COCCCSC(C)OC 62a_100000709357_100009879195 [0,2,0,0,0,0|1,0,1]=4 7596 B9R0.46 COCCCSC(C)OC 62a_100009879195_100000709357 [0,2,0,0,0,0|1,0,1]=4 7597 B9R0.46 COCCNCC(=O)OC 2230a_100000209980_100000747449 [0,2,0,0,0,0|0,0,0]=2 7598 B9R0.46 COCCNC[C@@H](C)OC 2230a_100020591295_100011201679 [0,2,0,0,0,0|1,0,1]=4 7599 B9R0.46 COCCOCC(=O)CF 1458a_100000211095_100015361967 [0,2,0,0,0,0|2,0,0]=4 7600 B9R0.46 COCCOCC(=O)OC 34a_100000210237_100000747449 [0,2,0,0,0,0|0,0,0]=2 7601 B9R0.46 COCCOCC(=O)OC 34a_100138415774_100000090808 [0,2,0,0,0,0|0,0,0]=2 7602 B9R0.46 COCCOCC(C)OC 34a_100000690652_100011201679 [0,2,0,0,0,0|1,0,1]=4 7603 B9R0.46 COCCSCC(=O)OC 62a_100000233755_100000747449 [0,2,0,0,0,0|0,0,0]=2 7604 B9R0.46 COCCSCC(=O)OC 62a_100000747449_100000233755 [0,2,0,0,0,0|0,0,0]=2 7605 B9R0.46 COCSCCC(=O)OC 62a_100000204255_100000766300 [0,2,0,0,0,0|0,0,0]=2 7606 B9R0.46 COCSCCC(=O)OC 62a_100000766300_100000204255 [0,2,0,0,0,0|0,0,0]=2 7607 B9R0.46 COCSCOC(=O)OC 62a_100000766300_100000139417 [0,2,0,0,0,0|1,0,0]=3 7608 B9R0.46 CO[C@H](C)CNCCCF 2230a_100020591295_100011934791 [0,2,0,0,0,0|1,0,1]=4 7609 B9R0.46 CO[C@H](C)CNCCCO 2230a_100020591295_100000230001 [0,2,0,0,0,0|1,0,1]=4 7610 B9R0.46 CO[C@H](C)CNCCSC 2230a_100020591295_100000751147 [0,2,0,0,0,0|1,0,1]=4 7611 B9R0.46 CSCCCNC(=O)CO 240690a_100000749238_100000210174 [0,2,0,0,0,0|2,0,0]=4 7612 B9R0.46 CSCCCNC(=O)CO 527a_100000749238_100000210174 [0,2,0,0,0,0|2,0,0]=4 7613 B9R0.46 N#CCCCCC(=O)CO 1458a_100000210174_100000211819 [0,2,0,0,0,0|2,0,0]=4 7614 B9R0.46 NNC(=O)CCCOCF 34a_100000211488_100015361967 [0,2,0,0,0,0|2,0,0]=4 7615 B9R0.46 O=C(CF)CCCCCO 1458a_100102619762_100015361967 [0,2,0,0,0,0|2,0,0]=4 7616 B9R0.46 O=C(CF)CCOCCO 1458a_100011229844_100015361967 [0,2,0,0,0,0|2,0,0]=4 7617 B9R0.46 O=C(CO)CCCCCF 1458a_100000210174_100000729378 [0,2,0,0,0,0|2,0,0]=4 7618 B9R0.46 O=C(CO)CCCCCO 1458a_100000210174_100000746330 [0,2,0,0,0,0|2,0,0]=4 7619 B9R0.46 O=C(CO)CCOCCO 1458a_100000210174_100011215305 [0,2,0,0,0,0|2,0,0]=4 7620 B9R0.46 O=C(CO)NCCCCO 240690a_100000750430_100000210174 [0,2,0,0,0,0|2,0,0]=4 7621 B9R0.46 O=C(CO)NCCCCO 527a_100000750430_100000210174 [0,2,0,0,0,0|2,0,0]=4 7622 B9R0.47 C#CCCCC(=O)C(=C)C 1458a_100000185857_100000731252 [0,2,0,0,0,0|1,0,1]=4 7623 B9R0.47 C#CCCCC(=O)C(C)C 1458a_100000210198_100000731252 [0,2,0,0,0,0|1,0,1]=4 7624 B9R0.47 C#CCCCC(=O)C(C)C 1458a_100000690238_100000210206 [0,2,0,0,0,0|1,0,1]=4 7625 B9R0.47 C#CCCCC(=O)C(C)F 1458a_100000062450_100000731252 [0,2,0,0,0,0|1,0,1]=4 7626 B9R0.47 C#CCCCC(=O)N(C)C 11a_100102631434_100000690238 [0,2,0,0,0,0|1,0,1]=4 7627 B9R0.47 C#CCCCC(=O)N(C)C 1626a_100102631434_100000690238 [0,2,0,0,0,0|1,0,1]=4 7628 B9R0.47 C#CCCCC(=O)N(C)C 240690a_100102631434_100000690238 [0,2,0,0,0,0|1,0,1]=4 7629 B9R0.47 C#CCCCC(=O)N(C)C 527a_100102631434_100000690238 [0,2,0,0,0,0|1,0,1]=4 7630 B9R0.47 C#CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000731252 [0,2,0,0,0,0|1,0,1]=4 7631 B9R0.47 C#CCCCC(=O)[C@H](C)O 1458a_217856618621_100000731252 [0,2,0,0,0,0|1,0,1]=4 7632 B9R0.47 C=C(Br)C(=O)NCCCC 11a_100000102301_100009813364 [0,2,0,0,0,0|1,0,1]=4 7633 B9R0.47 C=C(Br)C(=O)NCCCC 1626a_100000102301_100009813364 [0,2,0,0,0,0|1,0,1]=4 7634 B9R0.47 C=C(C)C(=O)C/C=C\CC 1458a_100000185857_100103147603 [0,2,0,0,0,0|1,0,1]=4 7635 B9R0.47 C=C(C)C(=O)CC#CCC 1458a_100000185857_100009813939 [0,2,0,0,0,0|1,0,1]=4 7636 B9R0.47 C=C(C)C(=O)CCCC#N 1458a_100000185857_100000211468 [0,2,0,0,0,0|1,0,1]=4 7637 B9R0.47 C=C(C)C(=O)CCCCC 1458a_100000185857_100000210326 [0,2,0,0,0,0|1,0,0]=3 7638 B9R0.47 C=C(C)C(=O)CCCCF 1458a_100000185857_100000729493 [0,2,0,0,0,0|1,0,0]=3 7639 B9R0.47 C=C(C)C(=O)CCCCO 1458a_100000185857_100000210776 [0,2,0,0,0,0|1,0,0]=3 7640 B9R0.47 C=C(C)C(=O)CCCOC 1458a_100000185857_100000740836 [0,2,0,0,0,0|1,0,0]=3 7641 B9R0.47 C=C(C)C(=O)CCOCC 1458a_100000185857_100011215890 [0,2,0,0,0,0|1,0,0]=3 7642 B9R0.47 C=C(C)C(=O)CCSCC 1458a_100000185857_100000757381 [0,2,0,0,0,0|1,0,0]=3 7643 B9R0.47 C=C(C)C(=O)NCCCC 11a_100000102301_100000185857 [0,2,0,0,0,0|1,0,0]=3 7644 B9R0.47 C=C(C)C(=O)NCCCC 1626a_100000102301_100000185857 [0,2,0,0,0,0|1,0,0]=3 7645 B9R0.47 C=C(C)C(=O)NCCCF 11a_100015189416_100000185857 [0,2,0,0,0,0|2,0,0]=4 7646 B9R0.47 C=C(C)C(=O)NCCCF 1626a_100015189416_100000185857 [0,2,0,0,0,0|2,0,0]=4 7647 B9R0.47 C=C(C)C(=O)NCCNC 2230a_100102636416_200000210301 [0,2,0,0,0,0|2,0,0]=4 7648 B9R0.47 C=C(C)C(=O)NCCN[13CH3] 2230a_100102636416_200025704644 [0,2,0,0,0,0|2,0,0]=4 7649 B9R0.47 C=C(C)C(=O)NCCOC 1626a_100000209980_100000185857 [0,2,0,0,0,0|2,0,0]=4 7650 B9R0.47 C=C(C)C(=O)NCCSC 11a_100020590264_100000185857 [0,2,0,0,0,0|2,0,0]=4 7651 B9R0.47 C=C(C)C(=O)NCCSC 1626a_100020590264_100000185857 [0,2,0,0,0,0|2,0,0]=4 7652 B9R0.47 C=C(C)C(=O)NNCCC 22a_100000740057_100000185857 [0,2,0,0,0,0|2,0,0]=4 7653 B9R0.47 C=C(C)C(=O)OCCNC 2230a_106832991635_100009816335 [0,2,0,0,0,0|2,0,0]=4 7654 B9R0.47 C=C(C)C(=O)OCCNC 34a_100102657272_100009816335 [0,2,0,0,0,0|2,0,0]=4 7655 B9R0.47 C=C(C)C(=O)OCCNC 7a_106832991635_100009816335 [0,2,0,0,0,0|2,0,0]=4 7656 B9R0.47 C=C(C)C(=O)OCCOC 34a_100138415774_100009816335 [0,2,0,0,0,0|2,0,0]=4 7657 B9R0.47 C=C(C)C(=O)OCCSC 62a_100009816335_200000210301 [0,2,0,0,0,0|2,0,0]=4 7658 B9R0.47 C=C(C)C(=O)OCCSC 62a_200000210301_100009816335 [0,2,0,0,0,0|2,0,0]=4 7659 B9R0.47 C=C(C)C(=O)OCCS[13CH3] 62a_100009816335_200025704644 [0,2,0,0,0,0|2,0,0]=4 7660 B9R0.47 C=C(C)C(=O)OCCS[13CH3] 62a_200025704644_100009816335 [0,2,0,0,0,0|2,0,0]=4 7661 B9R0.47 C=C(Cl)C(=O)NCCCC 11a_100000102301_100000039160 [0,2,0,0,0,0|1,0,1]=4 7662 B9R0.47 C=C(Cl)C(=O)NCCCC 1626a_100000102301_100000039160 [0,2,0,0,0,0|1,0,1]=4 7663 B9R0.47 C=C(F)C(=O)NCCCC 11a_100000102301_100000036797 [0,2,0,0,0,0|1,0,1]=4 7664 B9R0.47 C=C(F)C(=O)NCCCC 1626a_100000102301_100000036797 [0,2,0,0,0,0|1,0,1]=4 7665 B9R0.47 C=CCCCC(=O)C(=C)C 1458a_100000185857_100000757094 [0,2,0,0,0,0|1,0,1]=4 7666 B9R0.47 C=CCCCC(=O)C(C)C 1458a_100000210198_100000757094 [0,2,0,0,0,0|1,0,1]=4 7667 B9R0.47 C=CCCCC(=O)C(C)C 1458a_100000766728_100000210206 [0,2,0,0,0,0|1,0,1]=4 7668 B9R0.47 C=CCCCC(=O)C(C)F 1458a_100000062450_100000757094 [0,2,0,0,0,0|1,0,1]=4 7669 B9R0.47 C=CCCCC(=O)N(C)C 11a_100102631434_100000766728 [0,2,0,0,0,0|1,0,1]=4 7670 B9R0.47 C=CCCCC(=O)N(C)C 1626a_100102631434_100000766728 [0,2,0,0,0,0|1,0,1]=4 7671 B9R0.47 C=CCCCC(=O)N(C)C 240690a_100102631434_100000766728 [0,2,0,0,0,0|1,0,1]=4 7672 B9R0.47 C=CCCCC(=O)N(C)C 527a_100102631434_100000766728 [0,2,0,0,0,0|1,0,1]=4 7673 B9R0.47 C=CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000757094 [0,2,0,0,0,0|1,0,1]=4 7674 B9R0.47 C=CCCCC(=O)[C@H](C)O 1458a_217856618621_100000757094 [0,2,0,0,0,0|1,0,1]=4 7675 B9R0.47 CC(=O)C(=O)CNCCF 34a_100000724931_100011261029 [0,2,0,0,0,0|2,0,0]=4 7676 B9R0.47 CC(=O)C(=O)CNCCO 34a_100016990907_100011261029 [0,2,0,0,0,0|2,0,0]=4 7677 B9R0.47 CC(=O)C(=O)COCCBr 34a_100000211926_100011261029 [0,2,0,0,0,0|2,0,0]=4 7678 B9R0.47 CC(=O)C(=O)COCCN 34a_100000210304_100011261029 [0,2,0,0,0,0|2,0,0]=4 7679 B9R0.47 CC(=O)C(=O)CSCCF 62a_100011217306_100011261029 [0,2,0,0,0,0|2,0,0]=4 7680 B9R0.47 CC(=O)C(=O)CSCCF 62a_100011261029_100011217306 [0,2,0,0,0,0|2,0,0]=4 7681 B9R0.47 CC(=O)C(=O)CSCCO 62a_100000211926_100011261029 [0,2,0,0,0,0|2,0,0]=4 7682 B9R0.47 CC(=O)C(=O)CSCCO 62a_100011261029_100000211926 [0,2,0,0,0,0|2,0,0]=4 7683 B9R0.47 CC(C)C(=O)CCCC#N 1458a_100000075515_100000210206 [0,2,0,0,0,0|1,0,1]=4 7684 B9R0.47 CC(C)C(=O)CCCC#N 1458a_100000210198_100000211468 [0,2,0,0,0,0|1,0,1]=4 7685 B9R0.47 CC(C)C(=O)CCCCF 1458a_100000210198_100000729493 [0,2,0,0,0,0|1,0,0]=3 7686 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000210198_100000210776 [0,2,0,0,0,0|1,0,0]=3 7687 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000695505_100000210206 [0,2,0,0,0,0|1,0,0]=3 7688 B9R0.47 CC(C)C(=O)CNCCF 34a_100000724931_100000753385 [0,2,0,0,0,0|2,0,0]=4 7689 B9R0.47 CC(C)C(=O)CNCCO 2230a_100016997473_100000753385 [0,2,0,0,0,0|2,0,0]=4 7690 B9R0.47 CC(C)C(=O)CNCCO 34a_100016990907_100000753385 [0,2,0,0,0,0|2,0,0]=4 7691 B9R0.47 CC(C)C(=O)COCCBr 34a_100000211926_100000753385 [0,2,0,0,0,0|2,0,0]=4 7692 B9R0.47 CC(C)C(=O)COCCN 34a_100000210304_100000753385 [0,2,0,0,0,0|2,0,0]=4 7693 B9R0.47 CC(C)C(=O)COCCO 1458a_100000708028_100000210206 [0,2,0,0,0,0|2,0,0]=4 7694 B9R0.47 CC(C)C(=O)CSCCF 62a_100000753385_100011217306 [0,2,0,0,0,0|2,0,0]=4 7695 B9R0.47 CC(C)C(=O)CSCCF 62a_100011217306_100000753385 [0,2,0,0,0,0|2,0,0]=4 7696 B9R0.47 CC(C)C(=O)CSCCO 62a_100000211926_100000753385 [0,2,0,0,0,0|2,0,0]=4 7697 B9R0.47 CC(C)C(=O)CSCCO 62a_100000753385_100000211926 [0,2,0,0,0,0|2,0,0]=4 7698 B9R0.47 CC(C)C(=O)NCCCF 11a_100015189416_100000210198 [0,2,0,0,0,0|2,0,0]=4 7699 B9R0.47 CC(C)C(=O)NCCCF 1626a_100015189416_100000210198 [0,2,0,0,0,0|2,0,0]=4 7700 B9R0.47 CC(C)C(=O)NCCCF 240690a_100015189416_100000210198 [0,2,0,0,0,0|2,0,0]=4 7701 B9R0.47 CC(C)C(=O)NCCCF 527a_100015189416_100000210198 [0,2,0,0,0,0|2,0,0]=4 7702 B9R0.47 CC(C)C(=O)NCCCO 240690a_100000182051_100000210198 [0,2,0,0,0,0|2,0,0]=4 7703 B9R0.47 CC(C)C(=O)NCCCO 527a_100000182051_100000210198 [0,2,0,0,0,0|2,0,0]=4 7704 B9R0.47 CC(C)C(=O)NCCN[13CH3] 2230a_100000752568_200025704644 [0,2,0,0,0,0|2,0,0]=4 7705 B9R0.47 CC(C)C(=O)NCCN[13CH3] 34a_100000752568_200025704644 [0,2,0,0,0,0|2,0,0]=4 7706 B9R0.47 CC(F)C(=O)CCCC#N 1458a_100000062450_100000211468 [0,2,0,0,0,0|1,0,1]=4 7707 B9R0.47 CC(F)C(=O)CCCCF 1458a_100000062450_100000729493 [0,2,0,0,0,0|1,0,0]=3 7708 B9R0.47 CC(F)C(=O)CCCCO 1458a_100000062450_100000210776 [0,2,0,0,0,0|1,0,0]=3 7709 B9R0.47 CC(F)C(=O)NCCCF 11a_100015189416_100000062450 [0,2,0,0,0,0|2,0,0]=4 7710 B9R0.47 CC(F)C(=O)NCCCF 1626a_100015189416_100000062450 [0,2,0,0,0,0|2,0,0]=4 7711 B9R0.47 CC(F)C(=O)NCCCF 240690a_100015189416_100000062450 [0,2,0,0,0,0|2,0,0]=4 7712 B9R0.47 CC(F)C(=O)NCCCF 527a_100015189416_100000062450 [0,2,0,0,0,0|2,0,0]=4 7713 B9R0.47 CC(F)C(=O)NCCCO 240690a_100000182051_100000062450 [0,2,0,0,0,0|2,0,0]=4 7714 B9R0.47 CC(F)C(=O)NCCCO 527a_100000182051_100000062450 [0,2,0,0,0,0|2,0,0]=4 7715 B9R0.47 CC/C=C/CC(=O)C(C)C 1458a_100016274230_100000210206 [0,2,0,0,0,0|1,0,1]=4 7716 B9R0.47 CC/C=C/CC(=O)N(C)C 11a_100102631434_100016274230 [0,2,0,0,0,0|1,0,1]=4 7717 B9R0.47 CC/C=C/CC(=O)N(C)C 1626a_100102631434_100016274230 [0,2,0,0,0,0|1,0,1]=4 7718 B9R0.47 CC/C=C/CC(=O)N(C)C 240690a_100102631434_100016274230 [0,2,0,0,0,0|1,0,1]=4 7719 B9R0.47 CC/C=C/CC(=O)N(C)C 527a_100102631434_100016274230 [0,2,0,0,0,0|1,0,1]=4 7720 B9R0.47 CC/C=C\CC(=O)C(C)C 1458a_100000210198_100103147603 [0,2,0,0,0,0|1,0,1]=4 7721 B9R0.47 CC/C=C\CC(=O)C(C)F 1458a_100000062450_100103147603 [0,2,0,0,0,0|1,0,1]=4 7722 B9R0.47 CC/C=C\CC(=O)[C@@H](C)O 1458a_100000717761_100103147603 [0,2,0,0,0,0|1,0,1]=4 7723 B9R0.47 CC/C=C\CC(=O)[C@H](C)O 1458a_217856618621_100103147603 [0,2,0,0,0,0|1,0,1]=4 7724 B9R0.47 CCC#CCC(=O)C(C)C 1458a_100000210198_100009813939 [0,2,0,0,0,0|1,0,1]=4 7725 B9R0.47 CCC#CCC(=O)C(C)F 1458a_100000062450_100009813939 [0,2,0,0,0,0|1,0,1]=4 7726 B9R0.47 CCC#CCC(=O)[C@@H](C)O 1458a_100000717761_100009813939 [0,2,0,0,0,0|1,0,1]=4 7727 B9R0.47 CCC#CCC(=O)[C@H](C)O 1458a_217856618621_100009813939 [0,2,0,0,0,0|1,0,1]=4 7728 B9R0.47 CCCC#CC(=O)C(C)C 1458a_200011218047_100000210206 [0,2,0,0,0,0|1,0,1]=4 7729 B9R0.47 CCCC#CC(=O)N(C)C 240690a_100102631434_200011218047 [0,2,0,0,0,0|1,0,1]=4 7730 B9R0.47 CCCC=CC(=O)C(C)C 1458a_100000212230_100000210206 [0,2,0,0,0,0|1,0,1]=4 7731 B9R0.47 CCCC=CC(=O)N(C)C 11a_100102631434_100000212230 [0,2,0,0,0,0|1,0,1]=4 7732 B9R0.47 CCCC=CC(=O)N(C)C 1626a_100102631434_100000212230 [0,2,0,0,0,0|1,0,1]=4 7733 B9R0.47 CCCC=CC(=O)N(C)C 240690a_100102631434_100000212230 [0,2,0,0,0,0|1,0,1]=4 7734 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000210198_100000210326 [0,2,0,0,0,0|1,0,0]=3 7735 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000212188_100000210206 [0,2,0,0,0,0|1,0,0]=3 7736 B9R0.47 CCCCCC(=O)C(C)F 1458a_100000062450_100000210326 [0,2,0,0,0,0|1,0,0]=3 7737 B9R0.47 CCCCCC(=O)C(O)O 1458a_100000233687_100000210326 [0,2,0,0,0,0|2,0,0]=4 7738 B9R0.47 CCCCCC(=O)N(C)C 11a_100102631434_100000212188 [0,2,0,0,0,0|1,0,0]=3 7739 B9R0.47 CCCCCC(=O)N(C)C 1626a_100102631434_100000212188 [0,2,0,0,0,0|1,0,0]=3 7740 B9R0.47 CCCCCC(=O)N(C)C 240690a_100102631434_100000212188 [0,2,0,0,0,0|1,0,0]=3 7741 B9R0.47 CCCCCC(=O)N(C)C 527a_100102631434_100000212188 [0,2,0,0,0,0|1,0,0]=3 7742 B9R0.47 CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210326 [0,2,0,0,0,0|1,0,0]=3 7743 B9R0.47 CCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210326 [0,2,0,0,0,0|1,0,0]=3 7744 B9R0.47 CCCCNC(=O)C(=O)N 240690a_100000102301_100011215815 [0,2,0,0,0,0|2,0,0]=4 7745 B9R0.47 CCCCNC(=O)C(C)C 11a_100000102301_100000210198 [0,2,0,0,0,0|1,0,0]=3 7746 B9R0.47 CCCCNC(=O)C(C)C 1626a_100000102301_100000210198 [0,2,0,0,0,0|1,0,0]=3 7747 B9R0.47 CCCCNC(=O)C(C)C 240690a_100000102301_100000210198 [0,2,0,0,0,0|1,0,0]=3 7748 B9R0.47 CCCCNC(=O)C(C)C 527a_100000102301_100000210198 [0,2,0,0,0,0|1,0,0]=3 7749 B9R0.47 CCCCNC(=O)C(C)F 11a_100000102301_100000062450 [0,2,0,0,0,0|1,0,0]=3 7750 B9R0.47 CCCCNC(=O)C(C)F 1626a_100000102301_100000062450 [0,2,0,0,0,0|1,0,0]=3 7751 B9R0.47 CCCCNC(=O)C(C)F 240690a_100000102301_100000062450 [0,2,0,0,0,0|1,0,0]=3 7752 B9R0.47 CCCCNC(=O)C(C)F 527a_100000102301_100000062450 [0,2,0,0,0,0|1,0,0]=3 7753 B9R0.47 CCCCNC(=O)C(F)F 11a_100000102301_100000210393 [0,2,0,0,0,0|2,0,0]=4 7754 B9R0.47 CCCCNC(=O)C(F)F 1626a_100000102301_100000210393 [0,2,0,0,0,0|2,0,0]=4 7755 B9R0.47 CCCCNC(=O)C(F)F 240690a_100000102301_100000210393 [0,2,0,0,0,0|2,0,0]=4 7756 B9R0.47 CCCCNC(=O)C(F)F 527a_100000102301_100000210393 [0,2,0,0,0,0|2,0,0]=4 7757 B9R0.47 CCCCNC(=O)C(O)O 240690a_100000102301_100000233687 [0,2,0,0,0,0|2,0,0]=4 7758 B9R0.47 CCCCNC(=O)N(C)C 2708a_100000102301_100102631434 [0,2,0,0,0,0|1,0,0]=3 7759 B9R0.47 CCCCNC(=O)[C@@H](C)O 240690a_100000102301_100000717761 [0,2,0,0,0,0|1,0,0]=3 7760 B9R0.47 CCCCNC(=O)[C@H](C)O 1626a_100000102301_217856618621 [0,2,0,0,0,0|1,0,0]=3 7761 B9R0.47 CCCCNC(=O)[C@H](C)O 240690a_100000102301_217856618621 [0,2,0,0,0,0|1,0,0]=3 7762 B9R0.47 CCCNCC(=O)N(C)C 2230a_100015183351_100000210303 [0,2,0,0,0,0|1,0,0]=3 7763 B9R0.47 CCCNNC(=O)C(C)C 22a_100000740057_100000210198 [0,2,0,0,0,0|2,0,0]=4 7764 B9R0.47 CCCNNC(=O)C(C)F 22a_100000740057_100000062450 [0,2,0,0,0,0|2,0,0]=4 7765 B9R0.47 CCCNNC(=O)[C@@H](C)O 22a_100000740057_100000717761 [0,2,0,0,0,0|2,0,0]=4 7766 B9R0.47 CCCNNC(=O)[C@H](C)O 22a_100000740057_217856618621 [0,2,0,0,0,0|2,0,0]=4 7767 B9R0.47 CCCOCC(=O)C(=O)C 34a_100000210258_100011261029 [0,2,0,0,0,0|1,0,0]=3 7768 B9R0.47 CCCOCC(=O)C(C)C 1458a_100000745993_100000210206 [0,2,0,0,0,0|1,0,0]=3 7769 B9R0.47 CCCOCC(=O)C(C)C 34a_100000210258_100000753385 [0,2,0,0,0,0|1,0,0]=3 7770 B9R0.47 CCCOCC(=O)N(C)C 11a_100102631434_100000745993 [0,2,0,0,0,0|1,0,0]=3 7771 B9R0.47 CCCOCC(=O)N(C)C 1626a_100102631434_100000745993 [0,2,0,0,0,0|1,0,0]=3 7772 B9R0.47 CCCOCC(=O)N(C)C 240690a_100102631434_100000745993 [0,2,0,0,0,0|1,0,0]=3 7773 B9R0.47 CCCOCC(=O)N(C)C 34a_100000210258_100000692301 [0,2,0,0,0,0|1,0,0]=3 7774 B9R0.47 CCCOCC(=O)N(C)C 527a_100102631434_100000745993 [0,2,0,0,0,0|1,0,0]=3 7775 B9R0.47 CCCSCC(=O)C(=O)C 62a_100000210303_100011261029 [0,2,0,0,0,0|1,0,0]=3 7776 B9R0.47 CCCSCC(=O)C(=O)C 62a_100011261029_100000210303 [0,2,0,0,0,0|1,0,0]=3 7777 B9R0.47 CCCSCC(=O)C(C)C 1458a_100000217233_100000210206 [0,2,0,0,0,0|1,0,0]=3 7778 B9R0.47 CCCSCC(=O)C(C)C 62a_100000210303_100000753385 [0,2,0,0,0,0|1,0,0]=3 7779 B9R0.47 CCCSCC(=O)C(C)C 62a_100000753385_100000210303 [0,2,0,0,0,0|1,0,0]=3 7780 B9R0.47 CCCSCC(=O)N(C)C 11a_100102631434_100000217233 [0,2,0,0,0,0|1,0,0]=3 7781 B9R0.47 CCCSCC(=O)N(C)C 1626a_100102631434_100000217233 [0,2,0,0,0,0|1,0,0]=3 7782 B9R0.47 CCCSCC(=O)N(C)C 240690a_100102631434_100000217233 [0,2,0,0,0,0|1,0,0]=3 7783 B9R0.47 CCCSCC(=O)N(C)C 527a_100102631434_100000217233 [0,2,0,0,0,0|1,0,0]=3 7784 B9R0.47 CCCSCC(=O)N(C)C 62a_100000210303_100000692301 [0,2,0,0,0,0|1,0,0]=3 7785 B9R0.47 CCCSCC(=O)N(C)C 62a_100000692301_100000210303 [0,2,0,0,0,0|1,0,0]=3 7786 B9R0.47 CCNCCC(=O)N(C)C 2230a_100000738053_100000210202 [0,2,0,0,0,0|1,0,0]=3 7787 B9R0.47 CCNCCC(=O)N(C)C 2230a_100015525214_100000737620 [0,2,0,0,0,0|1,0,0]=3 7788 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000210198_100011215890 [0,2,0,0,0,0|1,0,0]=3 7789 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000749530_100000210206 [0,2,0,0,0,0|1,0,0]=3 7790 B9R0.47 CCOCCC(=O)C(C)F 1458a_100000062450_100011215890 [0,2,0,0,0,0|1,0,0]=3 7791 B9R0.47 CCOCCC(=O)C(O)O 1458a_100000233687_100011215890 [0,2,0,0,0,0|2,0,0]=4 7792 B9R0.47 CCOCCC(=O)N(C)C 11a_100102631434_100000749530 [0,2,0,0,0,0|1,0,0]=3 7793 B9R0.47 CCOCCC(=O)N(C)C 1626a_100102631434_100000749530 [0,2,0,0,0,0|1,0,0]=3 7794 B9R0.47 CCOCCC(=O)N(C)C 240690a_100102631434_100000749530 [0,2,0,0,0,0|1,0,0]=3 7795 B9R0.47 CCOCCC(=O)N(C)C 34a_200000747469_100000210202 [0,2,0,0,0,0|1,0,0]=3 7796 B9R0.47 CCOCCC(=O)N(C)C 527a_100102631434_100000749530 [0,2,0,0,0,0|1,0,0]=3 7797 B9R0.47 CCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215890 [0,2,0,0,0,0|1,0,0]=3 7798 B9R0.47 CCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215890 [0,2,0,0,0,0|1,0,0]=3 7799 B9R0.47 CCSCCC(=O)C(C)C 1458a_100000210198_100000757381 [0,2,0,0,0,0|1,0,0]=3 7800 B9R0.47 CCSCCC(=O)C(C)C 1458a_100000230768_100000210206 [0,2,0,0,0,0|1,0,0]=3 7801 B9R0.47 CCSCCC(=O)C(C)F 1458a_100000062450_100000757381 [0,2,0,0,0,0|1,0,0]=3 7802 B9R0.47 CCSCCC(=O)C(O)O 1458a_100000233687_100000757381 [0,2,0,0,0,0|2,0,0]=4 7803 B9R0.47 CCSCCC(=O)N(C)C 11a_100102631434_100000230768 [0,2,0,0,0,0|1,0,0]=3 7804 B9R0.47 CCSCCC(=O)N(C)C 1626a_100102631434_100000230768 [0,2,0,0,0,0|1,0,0]=3 7805 B9R0.47 CCSCCC(=O)N(C)C 240690a_100102631434_100000230768 [0,2,0,0,0,0|1,0,0]=3 7806 B9R0.47 CCSCCC(=O)N(C)C 527a_100102631434_100000230768 [0,2,0,0,0,0|1,0,0]=3 7807 B9R0.47 CCSCCC(=O)N(C)C 62a_100000210202_100000737620 [0,2,0,0,0,0|1,0,0]=3 7808 B9R0.47 CCSCCC(=O)N(C)C 62a_100000737620_100000210202 [0,2,0,0,0,0|1,0,0]=3 7809 B9R0.47 CCSCCC(=O)[C@@H](C)O 1458a_100000717761_100000757381 [0,2,0,0,0,0|1,0,0]=3 7810 B9R0.47 CCSCCC(=O)[C@H](C)O 1458a_217856618621_100000757381 [0,2,0,0,0,0|1,0,0]=3 7811 B9R0.47 CCSCOC(=O)C(C)C 62a_100000139345_100000210202 [0,2,0,0,0,0|2,0,0]=4 7812 B9R0.47 CCSCOC(=O)C(C)C 62a_100000210202_100000139345 [0,2,0,0,0,0|2,0,0]=4 7813 B9R0.47 CN(C)C(=O)CCCC#N 11a_100102631434_100000075515 [0,2,0,0,0,0|1,0,1]=4 7814 B9R0.47 CN(C)C(=O)CCCC#N 1626a_100102631434_100000075515 [0,2,0,0,0,0|1,0,1]=4 7815 B9R0.47 CN(C)C(=O)CCCC#N 240690a_100102631434_100000075515 [0,2,0,0,0,0|1,0,1]=4 7816 B9R0.47 CN(C)C(=O)CCCC#N 527a_100102631434_100000075515 [0,2,0,0,0,0|1,0,1]=4 7817 B9R0.47 CN(C)C(=O)CCCCO 1626a_100102631434_100000695505 [0,2,0,0,0,0|1,0,0]=3 7818 B9R0.47 CN(C)C(=O)CCCN[13CH3] 2230a_200000744827_200025704644 [0,2,0,0,0,0|1,0,0]=3 7819 B9R0.47 CN(C)C(=O)CCCS[13CH3] 62a_100000737642_200025704644 [0,2,0,0,0,0|1,0,0]=3 7820 B9R0.47 CN(C)C(=O)CCCS[13CH3] 62a_200025704644_100000737642 [0,2,0,0,0,0|1,0,0]=3 7821 B9R0.47 CN(C)C(=O)CCOCF 34a_200000747469_100015361967 [0,2,0,0,0,0|2,0,0]=4 7822 B9R0.47 CN(C)C(=O)CCSCF 62a_100000737620_100015361967 [0,2,0,0,0,0|2,0,0]=4 7823 B9R0.47 CN(C)C(=O)CCSCF 62a_100015361967_100000737620 [0,2,0,0,0,0|2,0,0]=4 7824 B9R0.47 CN(C)C(=O)CNCCF 2230a_100015183351_100011217306 [0,2,0,0,0,0|2,0,0]=4 7825 B9R0.47 CN(C)C(=O)CNCCF 34a_100000724931_100000692301 [0,2,0,0,0,0|2,0,0]=4 7826 B9R0.47 CN(C)C(=O)CNCCO 2230a_100015183351_100000211926 [0,2,0,0,0,0|2,0,0]=4 7827 B9R0.47 CN(C)C(=O)CNCCO 2230a_100016997473_100000185267 [0,2,0,0,0,0|2,0,0]=4 7828 B9R0.47 CN(C)C(=O)CNCCO 34a_100016990907_100000692301 [0,2,0,0,0,0|2,0,0]=4 7829 B9R0.47 CN(C)C(=O)COCCBr 34a_100000211926_100000692301 [0,2,0,0,0,0|2,0,0]=4 7830 B9R0.47 CN(C)C(=O)COCCN 34a_100000210304_100000692301 [0,2,0,0,0,0|2,0,0]=4 7831 B9R0.47 CN(C)C(=O)COCCO 1626a_100102631434_100000708028 [0,2,0,0,0,0|2,0,0]=4 7832 B9R0.47 CN(C)C(=O)COCCO 240690a_100102631434_100000708028 [0,2,0,0,0,0|2,0,0]=4 7833 B9R0.47 CN(C)C(=O)CSCCF 62a_100000692301_100011217306 [0,2,0,0,0,0|2,0,0]=4 7834 B9R0.47 CN(C)C(=O)CSCCF 62a_100011217306_100000692301 [0,2,0,0,0,0|2,0,0]=4 7835 B9R0.47 CN(C)C(=O)CSCCO 62a_100000211926_100000692301 [0,2,0,0,0,0|2,0,0]=4 7836 B9R0.47 CN(C)C(=O)CSCCO 62a_100000692301_100000211926 [0,2,0,0,0,0|2,0,0]=4 7837 B9R0.47 CN(C)C(=O)NCCCF 2708a_100015189416_100102631434 [0,2,0,0,0,0|2,0,0]=4 7838 B9R0.47 CNCCCC(=O)N(C)C 2230a_106832991635_100000737642 [0,2,0,0,0,0|1,0,0]=3 7839 B9R0.47 CNCCCC(=O)N(C)C 2230a_200000744827_200000210301 [0,2,0,0,0,0|1,0,0]=3 7840 B9R0.47 CNCCCC(=O)N(C)C 7a_106832991635_100000737642 [0,2,0,0,0,0|1,0,0]=3 7841 B9R0.47 CNCCNC(=O)C(C)C 2230a_100000752568_200000210301 [0,2,0,0,0,0|2,0,0]=4 7842 B9R0.47 CNCCNC(=O)C(C)C 34a_100000752568_200000210301 [0,2,0,0,0,0|2,0,0]=4 7843 B9R0.47 COCCCC(=O)C(C)C 1458a_100000210198_100000740836 [0,2,0,0,0,0|1,0,0]=3 7844 B9R0.47 COCCCC(=O)C(C)C 1458a_100000741012_100000210206 [0,2,0,0,0,0|1,0,0]=3 7845 B9R0.47 COCCCC(=O)C(C)F 1458a_100000062450_100000740836 [0,2,0,0,0,0|1,0,0]=3 7846 B9R0.47 COCCCC(=O)C(O)O 1458a_100000233687_100000740836 [0,2,0,0,0,0|2,0,0]=4 7847 B9R0.47 COCCCC(=O)N(C)C 11a_100102631434_100000741012 [0,2,0,0,0,0|1,0,0]=3 7848 B9R0.47 COCCCC(=O)N(C)C 1626a_100102631434_100000741012 [0,2,0,0,0,0|1,0,0]=3 7849 B9R0.47 COCCCC(=O)N(C)C 240690a_100102631434_100000741012 [0,2,0,0,0,0|1,0,0]=3 7850 B9R0.47 COCCCC(=O)N(C)C 527a_100102631434_100000741012 [0,2,0,0,0,0|1,0,0]=3 7851 B9R0.47 COCCCC(=O)[C@@H](C)O 1458a_100000717761_100000740836 [0,2,0,0,0,0|1,0,0]=3 7852 B9R0.47 COCCCC(=O)[C@H](C)O 1458a_217856618621_100000740836 [0,2,0,0,0,0|1,0,0]=3 7853 B9R0.47 COCCNC(=O)C(C)C 1626a_100000209980_100000210198 [0,2,0,0,0,0|2,0,0]=4 7854 B9R0.47 COCCNC(=O)C(C)C 240690a_100000209980_100000210198 [0,2,0,0,0,0|2,0,0]=4 7855 B9R0.47 COCCNC(=O)C(C)C 527a_100000209980_100000210198 [0,2,0,0,0,0|2,0,0]=4 7856 B9R0.47 COCCNC(=O)C(C)F 1626a_100000209980_100000062450 [0,2,0,0,0,0|2,0,0]=4 7857 B9R0.47 COCCNC(=O)C(C)F 240690a_100000209980_100000062450 [0,2,0,0,0,0|2,0,0]=4 7858 B9R0.47 COCCNC(=O)C(C)F 527a_100000209980_100000062450 [0,2,0,0,0,0|2,0,0]=4 7859 B9R0.47 COCCNC(=O)[C@@H](C)O 240690a_100000209980_100000717761 [0,2,0,0,0,0|2,0,0]=4 7860 B9R0.47 COCCNC(=O)[C@H](C)O 1626a_100000209980_217856618621 [0,2,0,0,0,0|2,0,0]=4 7861 B9R0.47 COCCNC(=O)[C@H](C)O 240690a_100000209980_217856618621 [0,2,0,0,0,0|2,0,0]=4 7862 B9R0.47 COCNCC(=O)N(C)C 2230a_100015183351_100000766300 [0,2,0,0,0,0|2,0,0]=4 7863 B9R0.47 COCSCC(=O)C(=O)C 62a_100000766300_100011261029 [0,2,0,0,0,0|2,0,0]=4 7864 B9R0.47 COCSCC(=O)C(=O)C 62a_100011261029_100000766300 [0,2,0,0,0,0|2,0,0]=4 7865 B9R0.47 COCSCC(=O)C(C)C 62a_100000753385_100000766300 [0,2,0,0,0,0|2,0,0]=4 7866 B9R0.47 COCSCC(=O)C(C)C 62a_100000766300_100000753385 [0,2,0,0,0,0|2,0,0]=4 7867 B9R0.47 COCSCC(=O)N(C)C 62a_100000692301_100000766300 [0,2,0,0,0,0|2,0,0]=4 7868 B9R0.47 COCSCC(=O)N(C)C 62a_100000766300_100000692301 [0,2,0,0,0,0|2,0,0]=4 7869 B9R0.47 CSCCCC(=O)C(C)C 1458a_100000173376_100000210206 [0,2,0,0,0,0|1,0,0]=3 7870 B9R0.47 CSCCCC(=O)N(C)C 11a_100102631434_100000173376 [0,2,0,0,0,0|1,0,0]=3 7871 B9R0.47 CSCCCC(=O)N(C)C 1626a_100102631434_100000173376 [0,2,0,0,0,0|1,0,0]=3 7872 B9R0.47 CSCCCC(=O)N(C)C 240690a_100102631434_100000173376 [0,2,0,0,0,0|1,0,0]=3 7873 B9R0.47 CSCCCC(=O)N(C)C 527a_100102631434_100000173376 [0,2,0,0,0,0|1,0,0]=3 7874 B9R0.47 CSCCCC(=O)N(C)C 62a_100000737642_200000210301 [0,2,0,0,0,0|1,0,0]=3 7875 B9R0.47 CSCCCC(=O)N(C)C 62a_200000210301_100000737642 [0,2,0,0,0,0|1,0,0]=3 7876 B9R0.47 CSCCNC(=O)C(C)C 11a_100020590264_100000210198 [0,2,0,0,0,0|2,0,0]=4 7877 B9R0.47 CSCCNC(=O)C(C)C 1626a_100020590264_100000210198 [0,2,0,0,0,0|2,0,0]=4 7878 B9R0.47 CSCCNC(=O)C(C)C 240690a_100020590264_100000210198 [0,2,0,0,0,0|2,0,0]=4 7879 B9R0.47 CSCCNC(=O)C(C)C 527a_100020590264_100000210198 [0,2,0,0,0,0|2,0,0]=4 7880 B9R0.47 CSCCNC(=O)C(C)F 11a_100020590264_100000062450 [0,2,0,0,0,0|2,0,0]=4 7881 B9R0.47 CSCCNC(=O)C(C)F 1626a_100020590264_100000062450 [0,2,0,0,0,0|2,0,0]=4 7882 B9R0.47 CSCCNC(=O)C(C)F 240690a_100020590264_100000062450 [0,2,0,0,0,0|2,0,0]=4 7883 B9R0.47 CSCCNC(=O)C(C)F 527a_100020590264_100000062450 [0,2,0,0,0,0|2,0,0]=4 7884 B9R0.47 CSCCNC(=O)N(C)C 2708a_100020590264_100102631434 [0,2,0,0,0,0|2,0,0]=4 7885 B9R0.47 CSCCNC(=O)[C@@H](C)O 240690a_100020590264_100000717761 [0,2,0,0,0,0|2,0,0]=4 7886 B9R0.47 CSCCNC(=O)[C@H](C)O 1626a_100020590264_217856618621 [0,2,0,0,0,0|2,0,0]=4 7887 B9R0.47 CSCCNC(=O)[C@H](C)O 240690a_100020590264_217856618621 [0,2,0,0,0,0|2,0,0]=4 7888 B9R0.47 CSCNCC(=O)N(C)C 2230a_100015183351_100011218213 [0,2,0,0,0,0|2,0,0]=4 7889 B9R0.47 CSCSCC(=O)C(=O)C 62a_100011218213_100011261029 [0,2,0,0,0,0|2,0,0]=4 7890 B9R0.47 CSCSCC(=O)C(=O)C 62a_100011261029_100011218213 [0,2,0,0,0,0|2,0,0]=4 7891 B9R0.47 CSCSCC(=O)C(C)C 62a_100000753385_100011218213 [0,2,0,0,0,0|2,0,0]=4 7892 B9R0.47 CSCSCC(=O)C(C)C 62a_100011218213_100000753385 [0,2,0,0,0,0|2,0,0]=4 7893 B9R0.47 CSCSCC(=O)N(C)C 62a_100000692301_100011218213 [0,2,0,0,0,0|2,0,0]=4 7894 B9R0.47 CSCSCC(=O)N(C)C 62a_100011218213_100000692301 [0,2,0,0,0,0|2,0,0]=4 7895 B9R0.47 C[C@@H](O)C(=O)CCCC#N 1458a_100000717761_100000211468 [0,2,0,0,0,0|1,0,1]=4 7896 B9R0.47 C[C@@H](O)C(=O)CCCCF 1458a_100000717761_100000729493 [0,2,0,0,0,0|1,0,0]=3 7897 B9R0.47 C[C@@H](O)C(=O)CCCCO 1458a_100000717761_100000210776 [0,2,0,0,0,0|1,0,0]=3 7898 B9R0.47 C[C@@H](O)C(=O)NCCCF 240690a_100015189416_100000717761 [0,2,0,0,0,0|2,0,0]=4 7899 B9R0.47 C[C@@H](O)C(=O)NCCCO 240690a_100000182051_100000717761 [0,2,0,0,0,0|2,0,0]=4 7900 B9R0.47 C[C@H](O)C(=O)CCCC#N 1458a_217856618621_100000211468 [0,2,0,0,0,0|1,0,1]=4 7901 B9R0.47 C[C@H](O)C(=O)CCCCF 1458a_217856618621_100000729493 [0,2,0,0,0,0|1,0,0]=3 7902 B9R0.47 C[C@H](O)C(=O)CCCCO 1458a_217856618621_100000210776 [0,2,0,0,0,0|1,0,0]=3 7903 B9R0.47 C[C@H](O)C(=O)NCCCF 1626a_100015189416_217856618621 [0,2,0,0,0,0|2,0,0]=4 7904 B9R0.47 C[C@H](O)C(=O)NCCCF 240690a_100015189416_217856618621 [0,2,0,0,0,0|2,0,0]=4 7905 B9R0.47 C[C@H](O)C(=O)NCCCO 240690a_100000182051_217856618621 [0,2,0,0,0,0|2,0,0]=4 7906 B9R0.47 O=C(CCCCF)C(O)O 1458a_100000233687_100000729493 [0,2,0,0,0,0|2,0,0]=4 7907 B9R0.47 O=C(CCCCO)C(O)O 1458a_100000233687_100000210776 [0,2,0,0,0,0|2,0,0]=4 7908 B9R0.50 C#CC(CCCCC)OC 34a_100011216489_200000210301 [0,2,0,0,0,0|1,0,1]=4 7909 B9R0.50 C#CC(CCCCC)OC 7a_100011216489_200000210301 [0,2,0,0,0,0|1,0,1]=4 7910 B9R0.50 C#CC(CCCCC)O[13CH3] 34a_100011216489_200025704644 [0,2,0,0,0,0|1,0,1]=4 7911 B9R0.50 C#CC(CCCCC)O[13CH3] 7a_100011216489_200025704644 [0,2,0,0,0,0|1,0,1]=4 7912 B9R0.50 C=CC(CCCCC)OC 34a_100011216863_200000210301 [0,2,0,0,0,0|1,0,1]=4 7913 B9R0.50 C=CC(CCCCC)OC 7a_100011216863_200000210301 [0,2,0,0,0,0|1,0,1]=4 7914 B9R0.50 C=CC(CCCCC)O[13CH3] 34a_100011216863_200025704644 [0,2,0,0,0,0|1,0,1]=4 7915 B9R0.50 C=CC(CCCCC)O[13CH3] 7a_100011216863_200025704644 [0,2,0,0,0,0|1,0,1]=4 7916 B9R0.50 CCCCCC(CC)OC 34a_100011215405_200000210301 [0,2,0,0,0,0|1,0,1]=4 7917 B9R0.50 CCCCCC(CC)OC 7a_100011215405_200000210301 [0,2,0,0,0,0|1,0,1]=4 7918 B9R0.50 CCCCCC(CC)O[13CH3] 34a_100011215405_200025704644 [0,2,0,0,0,0|1,0,1]=4 7919 B9R0.50 CCCCCC(CC)O[13CH3] 7a_100011215405_200025704644 [0,2,0,0,0,0|1,0,1]=4 7920 B9R0.50 CCCNCC(OC)OC 270004a_100020643023_100000752162 [0,2,0,0,0,0|0,0,2]=4 7921 B9R0.50 CCCOCC(CC)OC 34a_100011934954_100000210303 [0,2,0,0,0,0|1,0,1]=4 7922 B9R0.50 CCCOCC(CC)OC 7a_100011934954_100000210303 [0,2,0,0,0,0|1,0,1]=4 7923 B9R0.50 CCCOCC(OC)OC 34a_100000210258_100000211822 [0,2,0,0,0,0|0,0,2]=4 7924 B9R0.50 CCCOCC(OC)OC 34a_100011216393_100000210303 [0,2,0,0,0,0|0,0,2]=4 7925 B9R0.50 CCCSCC(OC)OC 62a_100000210303_100000751394 [0,2,0,0,0,0|0,0,2]=4 7926 B9R0.50 CCCSCC(OC)OC 62a_100000751394_100000210303 [0,2,0,0,0,0|0,0,2]=4 7927 B9R0.50 CCNCCC(OC)OC 2230a_100015525214_100009813347 [0,2,0,0,0,0|0,0,2]=4 7928 B9R0.50 CCOCCC(OC)OC 34a_100121572206_100000139399 [0,2,0,0,0,0|0,0,2]=4 7929 B9R0.50 CCSCCC(OC)OC 62a_100000139399_100000210202 [0,2,0,0,0,0|0,0,2]=4 7930 B9R0.50 CCSCCC(OC)OC 62a_100000210202_100000139399 [0,2,0,0,0,0|0,0,2]=4 7931 B9R0.50 CNCCCC(OC)OC 2230a_106832991635_100000069011 [0,2,0,0,0,0|0,0,2]=4 7932 B9R0.50 CNCCCC(OC)OC 34a_100102657272_100000069011 [0,2,0,0,0,0|0,0,2]=4 7933 B9R0.50 CNCCCC(OC)OC 7a_106832991635_100000069011 [0,2,0,0,0,0|0,0,2]=4 7934 B9R0.50 COC(CCCSC)OC 62a_100000069011_200000210301 [0,2,0,0,0,0|0,0,2]=4 7935 B9R0.50 COC(CCCSC)OC 62a_200000210301_100000069011 [0,2,0,0,0,0|0,0,2]=4 7936 B9R0.50 COC(CCCS[13CH3])OC 62a_100000069011_200025704644 [0,2,0,0,0,0|0,0,2]=4 7937 B9R0.50 COC(CCCS[13CH3])OC 62a_200025704644_100000069011 [0,2,0,0,0,0|0,0,2]=4 7938 B9R0.50 COCCCC(OC)OC 34a_100138415774_100000069011 [0,2,0,0,0,0|0,0,2]=4 7939 B9R0.3 CC(C)(C)C(=O)CCCF 1458a_106744555173_100011934791 [0,2,0,0,0,0|2,0,0]=4 7940 B9R0.3 CC(C)(C)C(=O)CCCO 1458a_106744555173_100011215043 [0,2,0,0,0,0|2,0,0]=4 7941 B9R0.3 CC(C)(F)C(=O)CCCF 1458a_100000765255_100011934791 [0,2,0,0,0,0|2,0,0]=4 7942 B9R0.3 CC(C)(F)C(=O)CCCO 1458a_100000765255_100011215043 [0,2,0,0,0,0|2,0,0]=4 7943 B9R0.3 CC(C)(O)C(=O)CCCF 1458a_100000242741_100011934791 [0,2,0,0,0,0|2,0,0]=4 7944 B9R0.3 CC(C)(O)C(=O)CCCO 1458a_100000242741_100011215043 [0,2,0,0,0,0|2,0,0]=4 7945 B9R0.3 CCCCC(=O)C(C)(C)C 1458a_106744555173_100000210211 [0,2,0,0,0,0|1,0,0]=3 7946 B9R0.3 CCCCC(=O)C(C)(C)F 1458a_100000765255_100000210211 [0,2,0,0,0,0|1,0,0]=3 7947 B9R0.3 CCCCC(=O)C(C)(C)O 1458a_100000242741_100000210211 [0,2,0,0,0,0|1,0,0]=3 7948 B9R0.3 CCCCC(=O)C(F)(F)F 1458a_100000210183_200000243211 [0,2,0,0,0,0|2,0,0]=4 7949 B9R0.3 CCCCC(=O)C(F)(F)F 1458a_100015355933_100000210211 [0,2,0,0,0,0|2,0,0]=4 7950 B9R0.3 CCCNC(=O)C(C)(C)C 11a_100020643023_106744555173 [0,2,0,0,0,0|2,0,0]=4 7951 B9R0.3 CCCNC(=O)C(C)(C)C 1626a_100020643023_106744555173 [0,2,0,0,0,0|2,0,0]=4 7952 B9R0.3 CCCNC(=O)C(C)(C)C 240690a_100020643023_106744555173 [0,2,0,0,0,0|2,0,0]=4 7953 B9R0.3 CCCNC(=O)C(C)(C)C 527a_100020643023_106744555173 [0,2,0,0,0,0|2,0,0]=4 7954 B9R0.3 CCCNC(=O)C(C)(C)F 11a_100020643023_100000765255 [0,2,0,0,0,0|2,0,0]=4 7955 B9R0.3 CCCNC(=O)C(C)(C)F 1626a_100020643023_100000765255 [0,2,0,0,0,0|2,0,0]=4 7956 B9R0.3 CCCNC(=O)C(C)(C)F 240690a_100020643023_100000765255 [0,2,0,0,0,0|2,0,0]=4 7957 B9R0.3 CCCNC(=O)C(C)(C)F 527a_100020643023_100000765255 [0,2,0,0,0,0|2,0,0]=4 7958 B9R0.3 CCCNC(=O)C(C)(C)O 240690a_100020643023_100000242741 [0,2,0,0,0,0|2,0,0]=4 7959 B9R0.3 CCCNC(=O)C(C)(F)F 11a_100020643023_100000042251 [0,2,0,0,0,0|2,0,0]=4 7960 B9R0.3 CCCNC(=O)C(C)(F)F 1626a_100020643023_100000042251 [0,2,0,0,0,0|2,0,0]=4 7961 B9R0.3 CCCNC(=O)C(C)(F)F 240690a_100020643023_100000042251 [0,2,0,0,0,0|2,0,0]=4 7962 B9R0.3 CCCNC(=O)C(C)(F)F 527a_100020643023_100000042251 [0,2,0,0,0,0|2,0,0]=4 7963 B9R0.3 CCOCC(=O)C(C)(C)C 34a_100121572206_100000229897 [0,2,0,0,0,0|2,0,0]=4 7964 B9R0.3 CCOCC(=O)C(C)(C)C 34a_200011592769_100000210202 [0,2,0,0,0,0|2,0,0]=4 7965 B9R0.3 CCOCC(=O)C(C)(C)C 7a_200011592769_100000210202 [0,2,0,0,0,0|2,0,0]=4 7966 B9R0.3 CCSCC(=O)C(C)(C)C 62a_100000210202_100000210923 [0,2,0,0,0,0|2,0,0]=4 7967 B9R0.3 CCSCC(=O)C(C)(C)C 62a_100000210923_100000210202 [0,2,0,0,0,0|2,0,0]=4 7968 B9R0.3 COCCC(=O)C(C)(C)C 1458a_106744555173_100000233755 [0,2,0,0,0,0|2,0,0]=4 7969 B9R0.3 COCCC(=O)C(C)(C)F 1458a_100000765255_100000233755 [0,2,0,0,0,0|2,0,0]=4 7970 B9R0.3 COCCC(=O)C(C)(C)O 1458a_100000242741_100000233755 [0,2,0,0,0,0|2,0,0]=4 7971 B9R0.3 CSCCC(=O)C(C)(C)C 1458a_106744555173_100000751147 [0,2,0,0,0,0|2,0,0]=4 7972 B9R0.3 CSCCC(=O)C(C)(C)F 1458a_100000765255_100000751147 [0,2,0,0,0,0|2,0,0]=4 7973 B9R0.3 CSCCC(=O)C(C)(C)O 1458a_100000242741_100000751147 [0,2,0,0,0,0|2,0,0]=4 7974 B9R0.7 C=C(C)C(=O)CCC(C)C 1458a_100000185857_100000210312 [0,2,0,0,0,0|1,0,0]=3 7975 B9R0.7 C=C(C)C(=O)CCC(C)O 1458a_100000185857_100012276601 [0,2,0,0,0,0|1,0,0]=3 7976 B9R0.7 C=C(C)C(=O)NCC(C)C 11a_100000210953_100000185857 [0,2,0,0,0,0|2,0,0]=4 7977 B9R0.7 C=C(C)C(=O)NCC(C)C 1626a_100000210953_100000185857 [0,2,0,0,0,0|2,0,0]=4 7978 B9R0.7 C=C(C)C(=O)NCC(C)O 11a_100000210904_100000185857 [0,2,0,0,0,0|2,0,0]=4 7979 B9R0.7 C=C(C)CCC(=O)C(=C)C 1458a_100000185857_100000730704 [0,2,0,0,0,0|1,0,1]=4 7980 B9R0.7 C=C(C)CCC(=O)C(C)C 1458a_100000210198_100000730704 [0,2,0,0,0,0|1,0,1]=4 7981 B9R0.7 C=C(C)CCC(=O)C(C)C 1458a_200000688413_100000210206 [0,2,0,0,0,0|1,0,1]=4 7982 B9R0.7 C=C(C)CCC(=O)C(C)F 1458a_100000062450_100000730704 [0,2,0,0,0,0|1,0,1]=4 7983 B9R0.7 C=C(C)CCC(=O)N(C)C 11a_100102631434_200000688413 [0,2,0,0,0,0|1,0,1]=4 7984 B9R0.7 C=C(C)CCC(=O)N(C)C 1626a_100102631434_200000688413 [0,2,0,0,0,0|1,0,1]=4 7985 B9R0.7 C=C(C)CCC(=O)N(C)C 240690a_100102631434_200000688413 [0,2,0,0,0,0|1,0,1]=4 7986 B9R0.7 C=C(C)CCC(=O)N(C)C 527a_100102631434_200000688413 [0,2,0,0,0,0|1,0,1]=4 7987 B9R0.7 C=C(C)CCC(=O)[C@@H](C)O 1458a_100000717761_100000730704 [0,2,0,0,0,0|1,0,1]=4 7988 B9R0.7 C=C(C)CCC(=O)[C@H](C)O 1458a_217856618621_100000730704 [0,2,0,0,0,0|1,0,1]=4 7989 B9R0.7 CC(=O)C(=O)CNC(C)C 34a_100138425928_100011261029 [0,2,0,0,0,0|2,0,0]=4 7990 B9R0.7 CC(=O)C(=O)COC(C)C 34a_100000212225_100011261029 [0,2,0,0,0,0|2,0,0]=4 7991 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100000210206_100011261029 [0,2,0,0,0,0|2,0,0]=4 7992 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100011261029_100000210206 [0,2,0,0,0,0|2,0,0]=4 7993 B9R0.7 CC(=O)C(=O)NCC(C)C 1458a_200011297155_200000210301 [0,2,0,0,0,0|2,0,0]=4 7994 B9R0.7 CC(=O)CCC(=O)N(C)C 1458a_100011200748_200000210301 [0,2,0,0,0,0|1,0,1]=4 7995 B9R0.7 CC(C)C(=O)CC[S+](C)C 1458a_100009452791_100000210206 [0,2,0,0,0,0|2,0,0]=4 7996 B9R0.7 CC(C)CCC(=O)C(C)C 1458a_100000181311_100000210206 [0,2,0,0,0,0|1,0,0]=3 7997 B9R0.7 CC(C)CCC(=O)C(C)C 1458a_100000210198_100000210312 [0,2,0,0,0,0|1,0,0]=3 7998 B9R0.7 CC(C)CCC(=O)C(C)F 1458a_100000062450_100000210312 [0,2,0,0,0,0|1,0,0]=3 7999 B9R0.7 CC(C)CCC(=O)C(O)O 1458a_100000233687_100000210312 [0,2,0,0,0,0|2,0,0]=4 8000 B9R0.7 CC(C)CCC(=O)N(C)C 11a_100102631434_100000181311 [0,2,0,0,0,0|1,0,0]=3 8001 B9R0.7 CC(C)CCC(=O)N(C)C 1626a_100102631434_100000181311 [0,2,0,0,0,0|1,0,0]=3 8002 B9R0.7 CC(C)CCC(=O)N(C)C 240690a_100102631434_100000181311 [0,2,0,0,0,0|1,0,0]=3 8003 B9R0.7 CC(C)CCC(=O)N(C)C 527a_100102631434_100000181311 [0,2,0,0,0,0|1,0,0]=3 8004 B9R0.7 CC(C)CCC(=O)[C@@H](C)O 1458a_100000717761_100000210312 [0,2,0,0,0,0|1,0,0]=3 8005 B9R0.7 CC(C)CCC(=O)[C@H](C)O 1458a_217856618621_100000210312 [0,2,0,0,0,0|1,0,0]=3 8006 B9R0.7 CC(C)CNC(=O)C(=O)[13CH3] 1458a_200011297155_200025704644 [0,2,0,0,0,0|2,0,0]=4 8007 B9R0.7 CC(C)CNC(=O)C(C)C 11a_100000210953_100000210198 [0,2,0,0,0,0|2,0,0]=4 8008 B9R0.7 CC(C)CNC(=O)C(C)C 1626a_100000210953_100000210198 [0,2,0,0,0,0|2,0,0]=4 8009 B9R0.7 CC(C)CNC(=O)C(C)C 240690a_100000210953_100000210198 [0,2,0,0,0,0|2,0,0]=4 8010 B9R0.7 CC(C)CNC(=O)C(C)C 527a_100000210953_100000210198 [0,2,0,0,0,0|2,0,0]=4 8011 B9R0.7 CC(C)CNC(=O)C(C)F 11a_100000210953_100000062450 [0,2,0,0,0,0|2,0,0]=4 8012 B9R0.7 CC(C)CNC(=O)C(C)F 1626a_100000210953_100000062450 [0,2,0,0,0,0|2,0,0]=4 8013 B9R0.7 CC(C)CNC(=O)C(C)F 240690a_100000210953_100000062450 [0,2,0,0,0,0|2,0,0]=4 8014 B9R0.7 CC(C)CNC(=O)C(C)F 527a_100000210953_100000062450 [0,2,0,0,0,0|2,0,0]=4 8015 B9R0.7 CC(C)CNC(=O)N(C)C 2708a_100000210953_100102631434 [0,2,0,0,0,0|2,0,0]=4 8016 B9R0.7 CC(C)CNC(=O)[C@@H](C)O 240690a_100000210953_100000717761 [0,2,0,0,0,0|2,0,0]=4 8017 B9R0.7 CC(C)CNC(=O)[C@H](C)O 1626a_100000210953_217856618621 [0,2,0,0,0,0|2,0,0]=4 8018 B9R0.7 CC(C)CNC(=O)[C@H](C)O 240690a_100000210953_217856618621 [0,2,0,0,0,0|2,0,0]=4 8019 B9R0.7 CC(C)NCC(=O)C(C)C 2230a_100138425928_100000753385 [0,2,0,0,0,0|2,0,0]=4 8020 B9R0.7 CC(C)NCC(=O)C(C)C 34a_100138425928_100000753385 [0,2,0,0,0,0|2,0,0]=4 8021 B9R0.7 CC(C)NCC(=O)N(C)C 2230a_100015183351_100000210206 [0,2,0,0,0,0|2,0,0]=4 8022 B9R0.7 CC(C)NCC(=O)N(C)C 2230a_100138425928_100000185267 [0,2,0,0,0,0|2,0,0]=4 8023 B9R0.7 CC(C)NCC(=O)N(C)C 34a_100138425928_100000692301 [0,2,0,0,0,0|2,0,0]=4 8024 B9R0.7 CC(C)OCC(=O)C(C)C 1458a_100000745533_100000210206 [0,2,0,0,0,0|2,0,0]=4 8025 B9R0.7 CC(C)OCC(=O)C(C)C 34a_100000212225_100000753385 [0,2,0,0,0,0|2,0,0]=4 8026 B9R0.7 CC(C)OCC(=O)N(C)C 11a_100102631434_100000745533 [0,2,0,0,0,0|2,0,0]=4 8027 B9R0.7 CC(C)OCC(=O)N(C)C 1626a_100102631434_100000745533 [0,2,0,0,0,0|2,0,0]=4 8028 B9R0.7 CC(C)OCC(=O)N(C)C 240690a_100102631434_100000745533 [0,2,0,0,0,0|2,0,0]=4 8029 B9R0.7 CC(C)OCC(=O)N(C)C 34a_100000212225_100000692301 [0,2,0,0,0,0|2,0,0]=4 8030 B9R0.7 CC(C)OCC(=O)N(C)C 527a_100102631434_100000745533 [0,2,0,0,0,0|2,0,0]=4 8031 B9R0.7 CC(C)SCC(=O)C(C)C 1458a_100000241585_100000210206 [0,2,0,0,0,0|2,0,0]=4 8032 B9R0.7 CC(C)SCC(=O)C(C)C 62a_100000210206_100000753385 [0,2,0,0,0,0|2,0,0]=4 8033 B9R0.7 CC(C)SCC(=O)C(C)C 62a_100000753385_100000210206 [0,2,0,0,0,0|2,0,0]=4 8034 B9R0.7 CC(C)SCC(=O)N(C)C 11a_100102631434_100000241585 [0,2,0,0,0,0|2,0,0]=4 8035 B9R0.7 CC(C)SCC(=O)N(C)C 1626a_100102631434_100000241585 [0,2,0,0,0,0|2,0,0]=4 8036 B9R0.7 CC(C)SCC(=O)N(C)C 240690a_100102631434_100000241585 [0,2,0,0,0,0|2,0,0]=4 8037 B9R0.7 CC(C)SCC(=O)N(C)C 527a_100102631434_100000241585 [0,2,0,0,0,0|2,0,0]=4 8038 B9R0.7 CC(C)SCC(=O)N(C)C 62a_100000210206_100000692301 [0,2,0,0,0,0|2,0,0]=4 8039 B9R0.7 CC(C)SCC(=O)N(C)C 62a_100000692301_100000210206 [0,2,0,0,0,0|2,0,0]=4 8040 B9R0.7 CC(O)CCC(=O)C(C)C 1458a_100000210198_100012276601 [0,2,0,0,0,0|1,0,0]=3 8041 B9R0.7 CC(O)CCC(=O)C(C)F 1458a_100000062450_100012276601 [0,2,0,0,0,0|1,0,0]=3 8042 B9R0.7 CC(O)CCC(=O)C(O)O 1458a_100000233687_100012276601 [0,2,0,0,0,0|2,0,0]=4 8043 B9R0.7 CC(O)CCC(=O)N(C)C 1626a_100102631434_100000718519 [0,2,0,0,0,0|1,0,0]=3 8044 B9R0.7 CC(O)CCC(=O)[C@@H](C)O 1458a_100000717761_100012276601 [0,2,0,0,0,0|1,0,0]=3 8045 B9R0.7 CC(O)CCC(=O)[C@H](C)O 1458a_217856618621_100012276601 [0,2,0,0,0,0|1,0,0]=3 8046 B9R0.7 CC(O)CNC(=O)C(C)C 11a_100000210904_100000210198 [0,2,0,0,0,0|2,0,0]=4 8047 B9R0.7 CC(O)CNC(=O)C(C)C 240690a_100000210904_100000210198 [0,2,0,0,0,0|2,0,0]=4 8048 B9R0.7 CC(O)CNC(=O)C(C)C 527a_100000210904_100000210198 [0,2,0,0,0,0|2,0,0]=4 8049 B9R0.7 CC(O)CNC(=O)C(C)F 11a_100000210904_100000062450 [0,2,0,0,0,0|2,0,0]=4 8050 B9R0.7 CC(O)CNC(=O)C(C)F 240690a_100000210904_100000062450 [0,2,0,0,0,0|2,0,0]=4 8051 B9R0.7 CC(O)CNC(=O)C(C)F 527a_100000210904_100000062450 [0,2,0,0,0,0|2,0,0]=4 8052 B9R0.7 CC(O)CNC(=O)[C@@H](C)O 240690a_100000210904_100000717761 [0,2,0,0,0,0|2,0,0]=4 8053 B9R0.7 CC(O)CNC(=O)[C@H](C)O 240690a_100000210904_217856618621 [0,2,0,0,0,0|2,0,0]=4 8054 B9R0.7 CN(C)C(=O)CCC(=O)[13CH3] 1458a_100011200748_200025704644 [0,2,0,0,0,0|1,0,1]=4 8055 B9R0.7 CN(C)C(=O)CC[S+](C)C 11a_100102631434_100009452791 [0,2,0,0,0,0|2,0,0]=4 8056 B9R0.7 CN(C)C(=O)CC[S+](C)C 1626a_100102631434_100009452791 [0,2,0,0,0,0|2,0,0]=4 8057 B9R0.7 CN(C)C(=O)CC[S+](C)C 240690a_100102631434_100009452791 [0,2,0,0,0,0|2,0,0]=4 8058 B9R0.7 CN(C)CCC(=O)N(C)C 11a_100102631434_100000689311 [0,2,0,0,0,0|2,0,0]=4 8059 B9R0.7 CN(C)CCC(=O)N(C)C 2230a_100102631434_100000737620 [0,2,0,0,0,0|2,0,0]=4 8060 B9R0.7 CN(C)CCC(=O)N(C)C 240690a_100102631434_100000689311 [0,2,0,0,0,0|2,0,0]=4 8061 B9R0.7 CN(C)CCC(=O)N(C)C 269982a_100102631434_100000737620 [0,2,0,0,0,0|2,0,0]=4 8062 B9R0.7 CN(C)CCC(=O)N(C)C 527a_100102631434_100000689311 [0,2,0,0,0,0|2,0,0]=4 8063 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000070787_200011216223 [0,2,0,0,0,0|1,0,1]=4 8064 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000211130_200000210301 [0,2,0,0,0,0|1,0,1]=4 8065 B9R0.13 CCCCC(CC)C(=O)[13CH3] 1458a_100000211130_200025704644 [0,2,0,0,0,0|1,0,1]=4 8066 B9R0.13 CCCCC(NC)C(=O)N 2230a_106832991635_100000748834 [0,2,0,0,0,0|1,0,1]=4 8067 B9R0.13 CCCCC(NC)C(=O)N 34a_100102657272_100000748834 [0,2,0,0,0,0|1,0,1]=4 8068 B9R0.13 CCCCC(NC)C(=O)N 7a_106832991635_100000748834 [0,2,0,0,0,0|1,0,1]=4 8069 B9R0.13 CCCCC(OC)C(=O)N 34a_100138415774_100000748834 [0,2,0,0,0,0|0,0,1]=3 8070 B9R0.13 CCCCC(SC)C(=O)N 62a_100000748834_200000210301 [0,2,0,0,0,0|0,1,1]=4 8071 B9R0.13 CCCCC(SC)C(=O)N 62a_200000210301_100000748834 [0,2,0,0,0,0|0,1,1]=4 8072 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_100000748834_200025704644 [0,2,0,0,0,0|0,1,1]=4 8073 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_200025704644_100000748834 [0,2,0,0,0,0|0,1,1]=4 8074 B9R0.13 CCCCN(CC)C(=O)C 11a_100000207695_100015343762 [0,2,0,0,0,0|2,0,0]=4 8075 B9R0.13 CCCCN(CC)C(=O)C 1626a_100000207695_100015343762 [0,2,0,0,0,0|2,0,0]=4 8076 B9R0.13 CCCCN(CC)C(=O)C 240690a_100000207695_100015343762 [0,2,0,0,0,0|2,0,0]=4 8077 B9R0.13 CCCCN(CC)C(=O)C 527a_100000207695_100103153847 [0,2,0,0,0,0|2,0,0]=4 8078 B9R0.13 CCCC[C@H](NC)C(=O)N 2230a_100000124899_200000210301 [0,2,0,0,0,0|1,0,1]=4 8079 B9R0.13 CCCC[C@H](NC)C(=O)N 34a_100000124899_200000210301 [0,2,0,0,0,0|1,0,1]=4 8080 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 2230a_100000124899_200025704644 [0,2,0,0,0,0|1,0,1]=4 8081 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 34a_100000124899_200025704644 [0,2,0,0,0,0|1,0,1]=4 8082 B9R0.42 C=C(C)C(=O)CC(=O)CC 1458a_100000185857_100000747405 [0,2,0,0,0,0|1,0,1]=4 8083 B9R0.42 C=C(C)C(=O)CC(=O)OC 1458a_100000185857_100000747449 [0,2,0,0,0,0|0,0,2]=4 8084 B9R0.42 C=C(C)C(=O)CC(C)CC 1458a_100000185857_100000748023 [0,2,0,0,0,0|1,0,0]=3 8085 B9R0.42 C=C(C)C(=O)CC(O)CC 1458a_100000185857_100011218378 [0,2,0,0,0,0|1,0,0]=3 8086 B9R0.42 C=C(C)C(=O)C[C@@H](C)CC 1458a_100000185857_100009816398 [0,2,0,0,0,0|1,0,0]=3 8087 B9R0.42 C=C(C)C(=O)C[C@@H](C)CO 1458a_100000185857_100000059175 [0,2,0,0,0,0|2,0,0]=4 8088 B9R0.42 C=C(C)C(=O)NC(C)CC 11a_100000209981_100000185857 [0,2,0,0,0,0|2,0,0]=4 8089 B9R0.42 C=C(C)C(=O)NC(C)CC 1626a_100000209981_100000185857 [0,2,0,0,0,0|2,0,0]=4 8090 B9R0.42 CC(C)C(=O)C[C@@H](C)CO 1458a_100000210198_100000059175 [0,2,0,0,0,0|2,0,0]=4 8091 B9R0.42 CC(F)C(=O)C[C@@H](C)CO 1458a_100000062450_100000059175 [0,2,0,0,0,0|2,0,0]=4 8092 B9R0.42 CCC(=O)CC(=O)C(=O)C 1458a_100000210414_100011261029 [0,2,0,0,0,0|1,0,1]=4 8093 B9R0.42 CCC(=O)CC(=O)C(C)C 1458a_100000210198_100000747405 [0,2,0,0,0,0|1,0,1]=4 8094 B9R0.42 CCC(=O)CC(=O)C(C)C 1458a_100000210414_100000753385 [0,2,0,0,0,0|1,0,1]=4 8095 B9R0.42 CCC(=O)CC(=O)C(C)F 1458a_100000062450_100000747405 [0,2,0,0,0,0|1,0,1]=4 8096 B9R0.42 CCC(=O)CC(=O)N(C)C 1458a_100000210414_100000185267 [0,2,0,0,0,0|1,0,1]=4 8097 B9R0.42 CCC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747405 [0,2,0,0,0,0|1,0,1]=4 8098 B9R0.42 CCC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747405 [0,2,0,0,0,0|1,0,1]=4 8099 B9R0.42 CCC(=O)CC(C)N(C)C 1458a_100011311895_100000210202 [0,2,0,0,0,0|2,0,0]=4 8100 B9R0.42 CCC(=O)CN(C)C(C)C 1458a_100000743827_100000210202 [0,2,0,0,0,0|2,0,0]=4 8101 B9R0.42 CCC(=O)CN(C)C(C)C 269982a_200000211004_100000747405 [0,2,0,0,0,0|2,0,0]=4 8102 B9R0.42 CCC(=O)NC(C)C(C)C 11a_100000211541_100000210414 [0,2,0,0,0,0|2,0,0]=4 8103 B9R0.42 CCC(=O)NC(C)C(C)C 1626a_100000211541_100000210414 [0,2,0,0,0,0|2,0,0]=4 8104 B9R0.42 CCC(=O)NC(C)C(C)C 240690a_100000211541_100000210414 [0,2,0,0,0,0|2,0,0]=4 8105 B9R0.42 CCC(=O)NC(C)C(C)C 527a_100000211541_100000210414 [0,2,0,0,0,0|2,0,0]=4 8106 B9R0.42 CCC(C)CC(=O)C(C)C 1458a_100000210198_100000748023 [0,2,0,0,0,0|1,0,0]=3 8107 B9R0.42 CCC(C)CC(=O)C(C)C 1458a_100000708755_100000210206 [0,2,0,0,0,0|1,0,0]=3 8108 B9R0.42 CCC(C)CC(=O)C(C)F 1458a_100000062450_100000748023 [0,2,0,0,0,0|1,0,0]=3 8109 B9R0.42 CCC(C)CC(=O)C(O)O 1458a_100000233687_100000748023 [0,2,0,0,0,0|2,0,0]=4 8110 B9R0.42 CCC(C)CC(=O)N(C)C 11a_100102631434_100000708755 [0,2,0,0,0,0|1,0,0]=3 8111 B9R0.42 CCC(C)CC(=O)N(C)C 1626a_100102631434_100000708755 [0,2,0,0,0,0|1,0,0]=3 8112 B9R0.42 CCC(C)CC(=O)N(C)C 240690a_100102631434_100000708755 [0,2,0,0,0,0|1,0,0]=3 8113 B9R0.42 CCC(C)CC(=O)N(C)C 527a_100102631434_100000708755 [0,2,0,0,0,0|1,0,0]=3 8114 B9R0.42 CCC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000748023 [0,2,0,0,0,0|1,0,0]=3 8115 B9R0.42 CCC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000748023 [0,2,0,0,0,0|1,0,0]=3 8116 B9R0.42 CCC(C)NC(=O)C(=O)C 1458a_200011297154_200000210301 [0,2,0,0,0,0|2,0,0]=4 8117 B9R0.42 CCC(C)NC(=O)C(=O)[13CH3] 1458a_200011297154_200025704644 [0,2,0,0,0,0|2,0,0]=4 8118 B9R0.42 CCC(C)NC(=O)C(C)C 11a_100000209981_100000210198 [0,2,0,0,0,0|2,0,0]=4 8119 B9R0.42 CCC(C)NC(=O)C(C)C 1626a_100000209981_100000210198 [0,2,0,0,0,0|2,0,0]=4 8120 B9R0.42 CCC(C)NC(=O)C(C)C 240690a_100000209981_100000210198 [0,2,0,0,0,0|2,0,0]=4 8121 B9R0.42 CCC(C)NC(=O)C(C)C 527a_100000209981_100000210198 [0,2,0,0,0,0|2,0,0]=4 8122 B9R0.42 CCC(C)NC(=O)C(C)F 11a_100000209981_100000062450 [0,2,0,0,0,0|2,0,0]=4 8123 B9R0.42 CCC(C)NC(=O)C(C)F 1626a_100000209981_100000062450 [0,2,0,0,0,0|2,0,0]=4 8124 B9R0.42 CCC(C)NC(=O)C(C)F 240690a_100000209981_100000062450 [0,2,0,0,0,0|2,0,0]=4 8125 B9R0.42 CCC(C)NC(=O)C(C)F 527a_100000209981_100000062450 [0,2,0,0,0,0|2,0,0]=4 8126 B9R0.42 CCC(C)NC(=O)N(C)C 2708a_100000209981_100102631434 [0,2,0,0,0,0|2,0,0]=4 8127 B9R0.42 CCC(C)NC(=O)[C@@H](C)O 240690a_100000209981_100000717761 [0,2,0,0,0,0|2,0,0]=4 8128 B9R0.42 CCC(C)NC(=O)[C@H](C)O 1626a_100000209981_217856618621 [0,2,0,0,0,0|2,0,0]=4 8129 B9R0.42 CCC(C)NC(=O)[C@H](C)O 240690a_100000209981_217856618621 [0,2,0,0,0,0|2,0,0]=4 8130 B9R0.42 CCC(O)CC(=O)C(C)C 1458a_100000210198_100011218378 [0,2,0,0,0,0|1,0,0]=3 8131 B9R0.42 CCC(O)CC(=O)C(C)C 1458a_100011667805_100000210206 [0,2,0,0,0,0|1,0,0]=3 8132 B9R0.42 CCC(O)CC(=O)C(C)F 1458a_100000062450_100011218378 [0,2,0,0,0,0|1,0,0]=3 8133 B9R0.42 CCC(O)CC(=O)C(O)O 1458a_100000233687_100011218378 [0,2,0,0,0,0|2,0,0]=4 8134 B9R0.42 CCC(O)CC(=O)N(C)C 1626a_100102631434_100011667805 [0,2,0,0,0,0|1,0,0]=3 8135 B9R0.42 CCC(O)CC(=O)N(C)C 240690a_100102631434_100011667805 [0,2,0,0,0,0|1,0,0]=3 8136 B9R0.42 CCC(O)CC(=O)[C@@H](C)O 1458a_100000717761_100011218378 [0,2,0,0,0,0|1,0,0]=3 8137 B9R0.42 CCC(O)CC(=O)[C@H](C)O 1458a_217856618621_100011218378 [0,2,0,0,0,0|1,0,0]=3 8138 B9R0.42 CCN(C)CC(=O)C(=O)C 269982a_100000225621_100011261029 [0,2,0,0,0,0|2,0,0]=4 8139 B9R0.42 CCN(C)CC(=O)C(C)C 1458a_100116209913_100000210206 [0,2,0,0,0,0|2,0,0]=4 8140 B9R0.42 CCN(C)CC(=O)C(C)C 2230a_100000225621_100000753385 [0,2,0,0,0,0|2,0,0]=4 8141 B9R0.42 CCN(C)CC(=O)C(C)C 269982a_100000225621_100000753385 [0,2,0,0,0,0|2,0,0]=4 8142 B9R0.42 CCN(C)CC(=O)N(C)C 2230a_100000185065_100000210202 [0,2,0,0,0,0|2,0,0]=4 8143 B9R0.42 CCN(C)CC(=O)N(C)C 2230a_100000225621_100000185267 [0,2,0,0,0,0|2,0,0]=4 8144 B9R0.42 CCN(C)CC(=O)N(C)C 240690a_100102631434_100116209913 [0,2,0,0,0,0|2,0,0]=4 8145 B9R0.42 CCN(C)CC(=O)N(C)C 269982a_100000225621_100000185267 [0,2,0,0,0,0|2,0,0]=4 8146 B9R0.42 CCN(C)CC(=O)N(C)C 527a_100102631434_100116209913 [0,2,0,0,0,0|2,0,0]=4 8147 B9R0.42 CC[C@H](C)CC(=O)C(C)C 1458a_100000210198_100009816398 [0,2,0,0,0,0|1,0,0]=3 8148 B9R0.42 CC[C@H](C)CC(=O)C(C)F 1458a_100000062450_100009816398 [0,2,0,0,0,0|1,0,0]=3 8149 B9R0.42 CC[C@H](C)CC(=O)C(O)O 1458a_100000233687_100009816398 [0,2,0,0,0,0|2,0,0]=4 8150 B9R0.42 CC[C@H](C)CC(=O)[C@@H](C)O 1458a_100000717761_100009816398 [0,2,0,0,0,0|1,0,0]=3 8151 B9R0.42 CC[C@H](C)CC(=O)[C@H](C)O 1458a_217856618621_100009816398 [0,2,0,0,0,0|1,0,0]=3 8152 B9R0.42 CNC(=O)CC(=O)C(C)C 1458a_100000210198_100000183359 [0,2,0,0,0,0|1,0,1]=4 8153 B9R0.42 CNC(=O)CC(=O)C(C)F 1458a_100000062450_100000183359 [0,2,0,0,0,0|1,0,1]=4 8154 B9R0.42 CNC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000183359 [0,2,0,0,0,0|1,0,1]=4 8155 B9R0.42 CNC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000183359 [0,2,0,0,0,0|1,0,1]=4 8156 B9R0.42 CNC(=O)CC(C)N(C)C 1626a_100102657272_100011311895 [0,2,0,0,0,0|2,0,0]=4 8157 B9R0.42 CNC(=O)CC(C)N(C)C 2230a_100015186911_200000210301 [0,2,0,0,0,0|2,0,0]=4 8158 B9R0.42 CNC(=O)CC(C)N(C)C 240690a_100102657272_100011311895 [0,2,0,0,0,0|2,0,0]=4 8159 B9R0.42 CNC(=O)CC(C)N(C)C 269982a_100015186911_200000210301 [0,2,0,0,0,0|2,0,0]=4 8160 B9R0.42 CNC(=O)CC(C)N(C)[13CH3] 2230a_100015186911_200025704644 [0,2,0,0,0,0|2,0,0]=4 8161 B9R0.42 CNC(=O)CC(C)N(C)[13CH3] 269982a_100015186911_200025704644 [0,2,0,0,0,0|2,0,0]=4 8162 B9R0.42 CNC(=O)CN(C)C(C)C 11a_106832991635_100000743827 [0,2,0,0,0,0|2,0,0]=4 8163 B9R0.42 CNC(=O)CN(C)C(C)C 1626a_100102657272_100000743827 [0,2,0,0,0,0|2,0,0]=4 8164 B9R0.42 CNC(=O)CN(C)C(C)C 2230a_100000189611_100000210206 [0,2,0,0,0,0|2,0,0]=4 8165 B9R0.42 CNC(=O)CN(C)C(C)C 240690a_100102657272_100000743827 [0,2,0,0,0,0|2,0,0]=4 8166 B9R0.42 CNC(=O)CN(C)C(C)C 269982a_200000211004_100000183359 [0,2,0,0,0,0|2,0,0]=4 8167 B9R0.42 CNC(=O)CN(C)C(C)C 527a_100102657272_100000743827 [0,2,0,0,0,0|2,0,0]=4 8168 B9R0.42 CNC(=O)NC(C)C(C)C 2708a_100000211541_106832991635 [0,2,0,0,0,0|2,0,0]=4 8169 B9R0.42 CNC(=O)NC(C)C(C)C 2708a_100102657272_100000211541 [0,2,0,0,0,0|2,0,0]=4 8170 B9R0.42 CNC(=O)NC(C)C(C)C 273464a_100000211541_100102657272 [0,2,0,0,0,0|2,0,0]=4 8171 B9R0.42 CNC(=O)NC(C)C(C)C 273464a_100102657272_100000211541 [0,2,0,0,0,0|2,0,0]=4 8172 B9R0.42 CNC(=O)NC(C)C(C)C 512a_100000211541_100102657272 [0,2,0,0,0,0|2,0,0]=4 8173 B9R0.42 CNC(=O)NC(C)C(C)C 512a_106832991638_100000211541 [0,2,0,0,0,0|2,0,0]=4 8174 B9R0.42 COC(=O)CC(=O)C(C)C 1458a_100000210198_100000747449 [0,2,0,0,0,0|0,0,1]=3 8175 B9R0.42 COC(=O)CC(=O)C(C)C 1458a_100000211351_100000210206 [0,2,0,0,0,0|0,0,1]=3 8176 B9R0.42 COC(=O)CC(=O)C(C)F 1458a_100000062450_100000747449 [0,2,0,0,0,0|0,0,1]=3 8177 B9R0.42 COC(=O)CC(=O)C(O)O 1458a_100000233687_100000747449 [0,2,0,0,0,0|1,0,1]=4 8178 B9R0.42 COC(=O)CC(=O)N(C)C 240690a_100102631434_100000211351 [0,2,0,0,0,0|1,0,1]=4 8179 B9R0.42 COC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747449 [0,2,0,0,0,0|0,0,1]=3 8180 B9R0.42 COC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747449 [0,2,0,0,0,0|0,0,1]=3 8181 B9R0.42 COC(=O)CC(C)C(=O)C 1458a_100000037256_200000210301 [0,2,0,0,0,0|0,0,1]=3 8182 B9R0.42 COC(=O)CC(C)C(=O)[13CH3] 1458a_100000037256_200025704644 [0,2,0,0,0,0|0,0,1]=3 8183 B9R0.42 COC(=O)CC(C)N(C)C 2230a_100102631434_100009817358 [0,2,0,0,0,0|1,0,0]=3 8184 B9R0.42 COC(=O)CC(C)N(C)C 269982a_100102631434_100009817358 [0,2,0,0,0,0|1,0,0]=3 8185 B9R0.42 COC(=O)CN(C)C(=O)C 11a_100000198492_100015343762 [0,2,0,0,0,0|1,0,1]=4 8186 B9R0.42 COC(=O)CN(C)C(=O)C 1626a_100000198492_100015343762 [0,2,0,0,0,0|1,0,1]=4 8187 B9R0.42 COC(=O)CN(C)C(=O)C 240690a_100000198492_100015343762 [0,2,0,0,0,0|1,0,1]=4 8188 B9R0.42 COC(=O)CN(C)C(=O)C 527a_100000198492_100103153847 [0,2,0,0,0,0|1,0,1]=4 8189 B9R0.42 COC(=O)CN(C)C(C)C 2230a_100000198492_100000210206 [0,2,0,0,0,0|1,0,0]=3 8190 B9R0.42 COC(=O)CN(C)C(C)C 269982a_200000211004_100000747449 [0,2,0,0,0,0|1,0,0]=3 8191 B9R0.42 C[C@@H](CO)CC(=O)[C@@H](C)O 1458a_100000717761_100000059175 [0,2,0,0,0,0|2,0,0]=4 8192 B9R0.42 C[C@@H](CO)CC(=O)[C@H](C)O 1458a_217856618621_100000059175 [0,2,0,0,0,0|2,0,0]=4 8193 B9R0.51 CCCCS(=O)(=O)N(C)C 270084a_100102631434_100000212082 [0,2,0,0,0,0|2,0,0]=4 8194 B9R0.51 CCCCS(=O)(=O)N(C)C 274078a_100102631434_100000212082 [0,2,0,0,0,0|2,0,0]=4 8195 B9R0.51 CCCCS(=O)(=O)N(C)C 40a_100102631434_100000054263 [0,2,0,0,0,0|2,0,0]=4 8196 B9R0.21 C#CC(=O)CCC(C)(C)C 1458a_100000211873_100000755188 [0,2,0,0,0,0|1,0,1]=4 8197 B9R0.21 C=CC(=O)CCC(C)(C)C 1458a_100000185746_100000755188 [0,2,0,0,0,0|1,0,1]=4 8198 B9R0.21 CC(C)(C)CCC(=O)CF 1458a_100000757465_100015361967 [0,2,0,0,0,0|2,0,0]=4 8199 B9R0.21 CC(C)(C)CCC(=O)CO 1458a_100000210174_100000755188 [0,2,0,0,0,0|2,0,0]=4 8200 B9R0.21 CC(F)(F)CCC(=O)CF 1458a_100000030992_100015361967 [0,2,0,0,0,0|2,0,0]=4 8201 B9R0.21 CCC(=O)CCC(C)(C)C 1458a_100000210414_100000755188 [0,2,0,0,0,0|1,0,0]=3 8202 B9R0.21 CCC(=O)CCC(C)(C)C 1458a_100000757465_100000210202 [0,2,0,0,0,0|1,0,0]=3 8203 B9R0.21 CCC(=O)CCC(C)(F)F 1458a_100000030992_100000210202 [0,2,0,0,0,0|1,0,0]=3 8204 B9R0.21 CCC(=O)CCC(F)(F)F 1458a_100000210414_100011219754 [0,2,0,0,0,0|2,0,0]=4 8205 B9R0.21 CCC(=O)CCC(F)(F)F 1458a_100000755318_100000210202 [0,2,0,0,0,0|2,0,0]=4 8206 B9R0.21 CCC(=O)CCS(=O)(=O)C 1458a_100000210414_100000731031 [0,2,0,0,0,0|2,0,0]=4 8207 B9R0.21 CCC(=O)CCS(=O)(=O)C 1458a_100000737124_100000210202 [0,2,0,0,0,0|2,0,0]=4 8208 B9R0.21 CCC(=O)CC[N+](C)(C)C 1458a_100000210414_100000085578 [0,2,0,0,0,0|2,0,0]=4 8209 B9R0.21 CCC(=O)CC[Si](C)(C)C 1458a_100000210414_200000733723 [0,2,0,0,0,0|1,1,0]=4 8210 B9R0.21 CCC(=O)CC[Si](C)(C)C 1458a_100011215282_100000210202 [0,2,0,0,0,0|1,1,0]=4 8211 B9R0.21 CCC(=O)COC(C)(C)C 1458a_100000686494_100000210202 [0,2,0,0,0,0|2,0,0]=4 8212 B9R0.21 CCC(=O)COC(C)(C)C 34a_100000725409_100000210625 [0,2,0,0,0,0|2,0,0]=4 8213 B9R0.21 CCC(=O)COC(C)(C)C 7a_100015890283_100000747405 [0,2,0,0,0,0|2,0,0]=4 8214 B9R0.21 CCC(=O)CSC(C)(C)C 62a_100000211941_100000747405 [0,2,0,0,0,0|2,0,0]=4 8215 B9R0.21 CCC(=O)CSC(C)(C)C 62a_100000747405_100000211941 [0,2,0,0,0,0|2,0,0]=4 8216 B9R0.21 CCC(=O)NCC(C)(C)C 11a_100000743828_100000210414 [0,2,0,0,0,0|2,0,0]=4 8217 B9R0.21 CCC(=O)NCC(C)(C)C 1626a_100000743828_100000210414 [0,2,0,0,0,0|2,0,0]=4 8218 B9R0.21 CCC(=O)NCC(C)(C)C 240690a_100000743828_100000210414 [0,2,0,0,0,0|2,0,0]=4 8219 B9R0.21 CCC(=O)NCC(C)(C)C 527a_100000743828_100000210414 [0,2,0,0,0,0|2,0,0]=4 8220 B9R0.21 CCC(=O)NCC(C)(C)F 11a_100020643315_100000210414 [0,2,0,0,0,0|2,0,0]=4 8221 B9R0.21 CCC(=O)NCC(C)(C)F 1626a_100020643315_100000210414 [0,2,0,0,0,0|2,0,0]=4 8222 B9R0.21 CCC(=O)NCC(C)(C)F 240690a_100020643315_100000210414 [0,2,0,0,0,0|2,0,0]=4 8223 B9R0.21 CCC(=O)NCC(C)(C)F 527a_100020643315_100000210414 [0,2,0,0,0,0|2,0,0]=4 8224 B9R0.21 CCC(=O)NCC(C)(C)O 1626a_100000751335_100000210414 [0,2,0,0,0,0|2,0,0]=4 8225 B9R0.21 CCC(=O)NCC(C)(C)O 240690a_100000751335_100000210414 [0,2,0,0,0,0|2,0,0]=4 8226 B9R0.21 CCC(=O)NCC(C)(C)O 527a_100000751335_100000210414 [0,2,0,0,0,0|2,0,0]=4 8227 B9R0.21 CCC(=O)NCC(C)(F)F 11a_100000731000_100000210414 [0,2,0,0,0,0|2,0,0]=4 8228 B9R0.21 CCC(=O)NCC(C)(F)F 1626a_100000731000_100000210414 [0,2,0,0,0,0|2,0,0]=4 8229 B9R0.21 CCC(=O)NCC(C)(F)F 240690a_100000731000_100000210414 [0,2,0,0,0,0|2,0,0]=4 8230 B9R0.21 CCC(=O)NCC(C)(F)F 527a_100000731000_100000210414 [0,2,0,0,0,0|2,0,0]=4 8231 B9R0.21 CNC(=O)CCC(C)(C)C 11a_106832991635_100000757465 [0,2,0,0,0,0|1,0,0]=3 8232 B9R0.21 CNC(=O)CCC(C)(C)C 1626a_100102657272_100000757465 [0,2,0,0,0,0|1,0,0]=3 8233 B9R0.21 CNC(=O)CCC(C)(C)C 240690a_100102657272_100000757465 [0,2,0,0,0,0|1,0,0]=3 8234 B9R0.21 CNC(=O)CCC(C)(C)C 527a_100102657272_100000757465 [0,2,0,0,0,0|1,0,0]=3 8235 B9R0.21 CNC(=O)CCC(C)(F)F 11a_106832991635_100000030992 [0,2,0,0,0,0|1,0,0]=3 8236 B9R0.21 CNC(=O)CCC(C)(F)F 1626a_100102657272_100000030992 [0,2,0,0,0,0|1,0,0]=3 8237 B9R0.21 CNC(=O)CCC(C)(F)F 240690a_100102657272_100000030992 [0,2,0,0,0,0|1,0,0]=3 8238 B9R0.21 CNC(=O)CCC(C)(F)F 527a_100102657272_100000030992 [0,2,0,0,0,0|1,0,0]=3 8239 B9R0.21 CNC(=O)CCC(F)(F)F 11a_106832991635_100000755318 [0,2,0,0,0,0|2,0,0]=4 8240 B9R0.21 CNC(=O)CCC(F)(F)F 1626a_100102657272_100000755318 [0,2,0,0,0,0|2,0,0]=4 8241 B9R0.21 CNC(=O)CCC(F)(F)F 240690a_100102657272_100000755318 [0,2,0,0,0,0|2,0,0]=4 8242 B9R0.21 CNC(=O)CCC(F)(F)F 527a_100102657272_100000755318 [0,2,0,0,0,0|2,0,0]=4 8243 B9R0.21 CNC(=O)CCS(=O)(=O)C 11a_106832991635_100000737124 [0,2,0,0,0,0|2,0,0]=4 8244 B9R0.21 CNC(=O)CCS(=O)(=O)C 1626a_100102657272_100000737124 [0,2,0,0,0,0|2,0,0]=4 8245 B9R0.21 CNC(=O)CCS(=O)(=O)C 240690a_100102657272_100000737124 [0,2,0,0,0,0|2,0,0]=4 8246 B9R0.21 CNC(=O)CCS(=O)(=O)C 527a_100102657272_100000737124 [0,2,0,0,0,0|2,0,0]=4 8247 B9R0.21 CNC(=O)CC[Si](C)(C)C 1626a_100102657272_100011215282 [0,2,0,0,0,0|1,1,0]=4 8248 B9R0.21 CNC(=O)CC[Si](C)(C)C 240690a_100102657272_100011215282 [0,2,0,0,0,0|1,1,0]=4 8249 B9R0.21 CNC(=O)CC[Si](C)(C)C 527a_100102657272_100011215282 [0,2,0,0,0,0|1,1,0]=4 8250 B9R0.21 CNC(=O)CNC(C)(C)C 2230a_100000715429_100000183359 [0,2,0,0,0,0|2,0,0]=4 8251 B9R0.21 CNC(=O)COC(C)(C)C 11a_106832991635_100000686494 [0,2,0,0,0,0|2,0,0]=4 8252 B9R0.21 CNC(=O)COC(C)(C)C 1626a_100102657272_100000686494 [0,2,0,0,0,0|2,0,0]=4 8253 B9R0.21 CNC(=O)COC(C)(C)C 240690a_100102657272_100000686494 [0,2,0,0,0,0|2,0,0]=4 8254 B9R0.21 CNC(=O)COC(C)(C)C 34a_100000750040_100000210625 [0,2,0,0,0,0|2,0,0]=4 8255 B9R0.21 CNC(=O)COC(C)(C)C 34a_100015890283_100000183359 [0,2,0,0,0,0|2,0,0]=4 8256 B9R0.21 CNC(=O)COC(C)(C)C 527a_100102657272_100000686494 [0,2,0,0,0,0|2,0,0]=4 8257 B9R0.21 CNC(=O)COC(C)(C)C 7a_100015890283_100000183359 [0,2,0,0,0,0|2,0,0]=4 8258 B9R0.21 CNC(=O)CSC(C)(C)C 62a_100000183359_100000211941 [0,2,0,0,0,0|2,0,0]=4 8259 B9R0.21 CNC(=O)CSC(C)(C)C 62a_100000211941_100000183359 [0,2,0,0,0,0|2,0,0]=4 8260 B9R0.21 CNC(=O)NCC(C)(C)C 2708a_100000743828_106832991635 [0,2,0,0,0,0|2,0,0]=4 8261 B9R0.21 CNC(=O)NCC(C)(C)C 2708a_100102657272_100000743828 [0,2,0,0,0,0|2,0,0]=4 8262 B9R0.21 CNC(=O)NCC(C)(C)C 273464a_100000743828_100102657272 [0,2,0,0,0,0|2,0,0]=4 8263 B9R0.21 CNC(=O)NCC(C)(C)C 273464a_100102657272_100000743828 [0,2,0,0,0,0|2,0,0]=4 8264 B9R0.21 CNC(=O)NCC(C)(C)C 512a_100000743828_100102657272 [0,2,0,0,0,0|2,0,0]=4 8265 B9R0.21 CNC(=O)NCC(C)(C)C 512a_106832991638_100000743828 [0,2,0,0,0,0|2,0,0]=4 8266 B9R0.21 CNC(=O)NCC(C)(C)F 2708a_100020643315_106832991635 [0,2,0,0,0,0|2,0,0]=4 8267 B9R0.21 CNC(=O)NCC(C)(C)F 2708a_100102657272_100020643315 [0,2,0,0,0,0|2,0,0]=4 8268 B9R0.21 CNC(=O)NCC(C)(C)F 273464a_100020643315_100102657272 [0,2,0,0,0,0|2,0,0]=4 8269 B9R0.21 CNC(=O)NCC(C)(C)F 273464a_100102657272_100020643315 [0,2,0,0,0,0|2,0,0]=4 8270 B9R0.21 CNC(=O)NCC(C)(C)F 512a_100020643315_100102657272 [0,2,0,0,0,0|2,0,0]=4 8271 B9R0.21 CNC(=O)NCC(C)(C)F 512a_106832991638_100020643315 [0,2,0,0,0,0|2,0,0]=4 8272 B9R0.21 CNC(=O)NCC(C)(C)O 2708a_100102657272_100000751335 [0,2,0,0,0,0|2,0,0]=4 8273 B9R0.21 CNC(=O)NCC(C)(C)O 273464a_100102657272_100000751335 [0,2,0,0,0,0|2,0,0]=4 8274 B9R0.21 CNC(=O)NCC(C)(C)O 512a_100000751335_100102657272 [0,2,0,0,0,0|2,0,0]=4 8275 B9R0.21 CNC(=O)NCC(C)(C)O 512a_106832991638_100000751335 [0,2,0,0,0,0|2,0,0]=4 8276 B9R0.21 CNC(=O)NCC(C)(F)F 2708a_100102657272_100000731000 [0,2,0,0,0,0|2,0,0]=4 8277 B9R0.21 CNC(=O)NCC(C)(F)F 273464a_100000731000_100102657272 [0,2,0,0,0,0|2,0,0]=4 8278 B9R0.21 CNC(=O)NCC(C)(F)F 273464a_100102657272_100000731000 [0,2,0,0,0,0|2,0,0]=4 8279 B9R0.21 CNC(=O)NCC(C)(F)F 512a_100000731000_100102657272 [0,2,0,0,0,0|2,0,0]=4 8280 B9R0.21 CNC(=O)NCC(C)(F)F 512a_106832991638_100000731000 [0,2,0,0,0,0|2,0,0]=4 8281 B9R0.21 COC(=O)CNC(C)(C)C 2230a_100000715429_100000747449 [0,2,0,0,0,0|1,0,0]=3 8282 B9R0.21 COC(=O)COC(C)(C)C 34a_100015890283_100000747449 [0,2,0,0,0,0|1,0,0]=3 8283 B9R0.21 COC(=O)COC(C)(C)C 7a_100015890283_100000747449 [0,2,0,0,0,0|1,0,0]=3 8284 B9R0.21 COC(=O)CSC(C)(C)C 62a_100000211941_100000747449 [0,2,0,0,0,0|1,0,0]=3 8285 B9R0.21 COC(=O)CSC(C)(C)C 62a_100000747449_100000211941 [0,2,0,0,0,0|1,0,0]=3 8286 B9R0.21 COC(=O)CSC(F)(F)F 62a_100000747449_200103152311 [0,2,0,0,0,0|2,0,0]=4 8287 B9R0.21 COC(=O)CSC(F)(F)F 62a_200000243211_100000747449 [0,2,0,0,0,0|2,0,0]=4 8288 B9R0.43 CCC(CCC(C)C)OC 34a_100011216567_200000210301 [0,2,0,0,0,0|1,0,1]=4 8289 B9R0.43 CCC(CCC(C)C)OC 7a_100011216567_200000210301 [0,2,0,0,0,0|1,0,1]=4 8290 B9R0.43 CCC(CCC(C)C)O[13CH3] 34a_100011216567_200025704644 [0,2,0,0,0,0|1,0,1]=4 8291 B9R0.43 CCC(CCC(C)C)O[13CH3] 7a_100011216567_200025704644 [0,2,0,0,0,0|1,0,1]=4 8292 B9R0.64 CC(C)CCC(C)(C)O[13CH3] 7a_200011218267_200025704644 [0,2,0,0,0,0|1,0,1]=4 8293 B9R0.64 CNS(=O)(=O)CCC(C)C 270084a_100102657272_100000750698 [0,2,0,0,0,0|2,0,0]=4 8294 B9R0.64 CNS(=O)(=O)CCC(C)C 274078a_100102657272_100000750698 [0,2,0,0,0,0|2,0,0]=4 8295 B9R0.64 COC(C)(C)CCC(C)C 34a_100138415774_200000037585 [0,2,0,0,0,0|1,0,1]=4 8296 B9R0.64 COC(C)(C)CCC(C)C 7a_200011218267_200000210301 [0,2,0,0,0,0|1,0,1]=4 8297 B9R0.26 C#CC(=O)CC(CC)CC 1458a_100000211873_100011215472 [0,2,0,0,0,0|1,0,1]=4 8298 B9R0.26 C=CC(=O)CC(CC)CC 1458a_100000185746_100011215472 [0,2,0,0,0,0|1,0,1]=4 8299 B9R0.26 CCC(=O)CC(CC)CC 1458a_100000210414_100011215472 [0,2,0,0,0,0|1,0,0]=3 8300 B9R0.26 CCC(=O)CC(OC)OC 1458a_100000082724_100000210202 [0,2,0,0,0,0|2,0,0]=4 8301 B9R0.26 CCC(=O)CC(OC)OC 1458a_100000210414_100000751394 [0,2,0,0,0,0|2,0,0]=4 8302 B9R0.26 CCC(=O)CN(CC)CC 1458a_100000758533_100000210202 [0,2,0,0,0,0|2,0,0]=4 8303 B9R0.26 CCC(=O)CN(CC)CC 269956a_100000042499_100000747405 [0,2,0,0,0,0|2,0,0]=4 8304 B9R0.26 CCC(=O)CN(CC)CC 269982a_100000724800_100000747405 [0,2,0,0,0,0|2,0,0]=4 8305 B9R0.26 CCC(=O)NC(CC)CC 11a_100000199018_100000210414 [0,2,0,0,0,0|2,0,0]=4 8306 B9R0.26 CCC(=O)NC(CC)CC 1626a_100000199018_100000210414 [0,2,0,0,0,0|2,0,0]=4 8307 B9R0.26 CCC(=O)NC(CC)CC 240690a_100000199018_100000210414 [0,2,0,0,0,0|2,0,0]=4 8308 B9R0.26 CCC(=O)NC(CC)CC 527a_100000199018_100000210414 [0,2,0,0,0,0|2,0,0]=4 8309 B9R0.26 CCC(=O)N[C@@H](CC)CO 240690a_100000709445_100000210414 [0,2,0,0,0,0|2,0,0]=4 8310 B9R0.26 CCC(=O)N[C@@H](CC)CO 527a_100000709445_100000210414 [0,2,0,0,0,0|2,0,0]=4 8311 B9R0.26 CCC(C)CC(CC)OC 7a_200011216566_200000210301 [0,2,0,0,0,0|1,0,1]=4 8312 B9R0.26 CCC(C)CC(CC)O[13CH3] 7a_200011216566_200025704644 [0,2,0,0,0,0|1,0,1]=4 8313 B9R0.26 CCC(CC)CC(=O)CO 1458a_100000210174_100011215472 [0,2,0,0,0,0|2,0,0]=4 8314 B9R0.26 CCC(CC)NC(=O)NC 2708a_100000199018_106832991635 [0,2,0,0,0,0|2,0,0]=4 8315 B9R0.26 CCC(CC)NC(=O)NC 2708a_100102657272_100000199018 [0,2,0,0,0,0|2,0,0]=4 8316 B9R0.26 CCC(CC)NC(=O)NC 273464a_100000199018_100102657272 [0,2,0,0,0,0|2,0,0]=4 8317 B9R0.26 CCC(CC)NC(=O)NC 273464a_100102657272_100000199018 [0,2,0,0,0,0|2,0,0]=4 8318 B9R0.26 CCC(CC)NC(=O)NC 512a_100000199018_100102657272 [0,2,0,0,0,0|2,0,0]=4 8319 B9R0.26 CCC(CC)NC(=O)NC 512a_106832991638_100000199018 [0,2,0,0,0,0|2,0,0]=4 8320 B9R0.26 CCN(CC)CC(=O)NC 11a_106832991635_100000758533 [0,2,0,0,0,0|2,0,0]=4 8321 B9R0.26 CCN(CC)CC(=O)NC 1626a_100102657272_100000758533 [0,2,0,0,0,0|2,0,0]=4 8322 B9R0.26 CCN(CC)CC(=O)NC 2230a_100000724800_100000183359 [0,2,0,0,0,0|2,0,0]=4 8323 B9R0.26 CCN(CC)CC(=O)NC 240690a_100102657272_100000758533 [0,2,0,0,0,0|2,0,0]=4 8324 B9R0.26 CCN(CC)CC(=O)NC 269956a_100000042499_100000183359 [0,2,0,0,0,0|2,0,0]=4 8325 B9R0.26 CCN(CC)CC(=O)NC 269982a_100000724800_100000183359 [0,2,0,0,0,0|2,0,0]=4 8326 B9R0.26 CCN(CC)CC(=O)NC 527a_100102657272_100000758533 [0,2,0,0,0,0|2,0,0]=4 8327 B9R0.26 CCN(CC)CC(=O)OC 2230a_100000724800_100000747449 [0,2,0,0,0,0|1,0,0]=3 8328 B9R0.26 CCN(CC)CC(=O)OC 269956a_100000042499_100000747449 [0,2,0,0,0,0|1,0,0]=3 8329 B9R0.26 CCN(CC)CC(=O)OC 269982a_100000724800_100000747449 [0,2,0,0,0,0|1,0,0]=3 8330 B9R0.26 CC[C@@H](CC(=O)OC)OC 7a_200015357724_200000210301 [0,2,0,0,0,0|0,0,0]=2 8331 B9R0.26 CC[C@@H](CC(=O)OC)O[13CH3] 7a_200015357724_200025704644 [0,2,0,0,0,0|0,0,0]=2 8332 B9R0.26 CC[C@@H](CO)NC(=O)NC 2708a_100102657272_100000709445 [0,2,0,0,0,0|2,0,0]=4 8333 B9R0.26 CC[C@@H](CO)NC(=O)NC 273464a_100000709445_100102657272 [0,2,0,0,0,0|2,0,0]=4 8334 B9R0.26 CC[C@@H](CO)NC(=O)NC 273464a_100102657272_100000709445 [0,2,0,0,0,0|2,0,0]=4 8335 B9R0.26 CC[C@@H](CO)NC(=O)NC 512a_100000709445_100102657272 [0,2,0,0,0,0|2,0,0]=4 8336 B9R0.26 CC[C@@H](CO)NC(=O)NC 512a_106832991638_100000709445 [0,2,0,0,0,0|2,0,0]=4 8337 B9R0.26 CNC(=O)CC(OC)OC 11a_106832991635_100000082724 [0,2,0,0,0,0|2,0,0]=4 8338 B9R0.26 CNC(=O)CC(OC)OC 1626a_100102657272_100000082724 [0,2,0,0,0,0|2,0,0]=4 8339 B9R0.26 CNC(=O)CC(OC)OC 240690a_100102657272_100000082724 [0,2,0,0,0,0|2,0,0]=4 8340 B9R0.26 CNC(=O)CC(OC)OC 527a_100102657272_100000082724 [0,2,0,0,0,0|2,0,0]=4 8341 B9R0.26 COC(=O)C[C@H](CCl)OC 7a_100000754131_200000210301 [0,2,0,0,0,0|1,0,0]=3 8342 B9R0.26 COC(=O)C[C@H](CCl)O[13CH3] 7a_100000754131_200025704644 [0,2,0,0,0,0|1,0,0]=3 8343 B9R0.67 CCCCC(C)(CC)OC 7a_200011218725_200000210301 [0,2,0,0,0,0|1,0,1]=4 8344 B9R0.67 CCCCC(C)(CC)O[13CH3] 7a_200011218725_200025704644 [0,2,0,0,0,0|1,0,1]=4 8345 B9R0.67 CCOCP(=O)(OC)OC 34a_100000101693_100000210202 [0,2,0,0,0,0|2,0,0]=4 8346 B9R0.67 COCCP(=O)(OC)OC 34a_200000043213_200000210301 [0,2,0,0,0,0|2,0,0]=4 8347 B9R0.67 COP(=O)(CCO[13CH3])OC 34a_200000043213_200025704644 [0,2,0,0,0,0|2,0,0]=4 8348 B9R0.22 CCC(=O)CC(C)(C)CC 1458a_200000763500_100000210202 [0,2,0,0,0,0|1,0,0]=3 8349 B9R0.22 CCC(=O)CC(C)(O)CC 1458a_200011219800_100000210202 [0,2,0,0,0,0|1,0,0]=3 8350 B9R0.22 CCC(=O)CS(=O)(=O)CC 1458a_100000744335_100000210202 [0,2,0,0,0,0|2,0,0]=4 8351 B9R0.22 CCC(=O)NC(C)(C)CC 11a_100000211385_100000210414 [0,2,0,0,0,0|2,0,0]=4 8352 B9R0.22 CCC(=O)NC(C)(C)CC 1626a_100000211385_100000210414 [0,2,0,0,0,0|2,0,0]=4 8353 B9R0.22 CCC(=O)NC(C)(C)CC 240690a_100000211385_100000210414 [0,2,0,0,0,0|2,0,0]=4 8354 B9R0.22 CCC(=O)NC(C)(C)CC 527a_100000211385_100000210414 [0,2,0,0,0,0|2,0,0]=4 8355 B9R0.22 CCC(C)(C)CC(=O)CF 1458a_200000763500_100015361967 [0,2,0,0,0,0|2,0,0]=4 8356 B9R0.22 CCC(C)(C)CC(=O)NC 11a_106832991635_200000763500 [0,2,0,0,0,0|1,0,0]=3 8357 B9R0.22 CCC(C)(C)CC(=O)NC 1626a_100102657272_200000763500 [0,2,0,0,0,0|1,0,0]=3 8358 B9R0.22 CCC(C)(C)CC(=O)NC 240690a_100102657272_200000763500 [0,2,0,0,0,0|1,0,0]=3 8359 B9R0.22 CCC(C)(C)CC(=O)NC 527a_100102657272_200000763500 [0,2,0,0,0,0|1,0,0]=3 8360 B9R0.22 CCC(C)(C)NC(=O)NC 2708a_100102657272_100000211385 [0,2,0,0,0,0|2,0,0]=4 8361 B9R0.22 CCC(C)(C)NC(=O)NC 273464a_100000211385_100102657272 [0,2,0,0,0,0|2,0,0]=4 8362 B9R0.22 CCC(C)(C)NC(=O)NC 273464a_100102657272_100000211385 [0,2,0,0,0,0|2,0,0]=4 8363 B9R0.22 CCC(C)(C)NC(=O)NC 512a_100000211385_100102657272 [0,2,0,0,0,0|2,0,0]=4 8364 B9R0.22 CCC(C)(C)NC(=O)NC 512a_106832991638_100000211385 [0,2,0,0,0,0|2,0,0]=4 8365 B9R0.22 CCC(C)(O)CC(=O)CF 1458a_200011219800_100015361967 [0,2,0,0,0,0|2,0,0]=4 8366 B9R0.22 CCC(C)(O)CC(=O)NC 240690a_100102657272_200011219800 [0,2,0,0,0,0|1,0,0]=3 8367 B9R0.22 CCC(C)(O)CC(=O)NC 527a_100102657272_200011219800 [0,2,0,0,0,0|1,0,0]=3 8368 B9R0.22 CCS(=O)(=O)CC(=O)NC 11a_106832991635_100000744335 [0,2,0,0,0,0|2,0,0]=4 8369 B9R0.22 CCS(=O)(=O)CC(=O)NC 1626a_100102657272_100000744335 [0,2,0,0,0,0|2,0,0]=4 8370 B9R0.22 CCS(=O)(=O)CC(=O)NC 240690a_100102657272_100000744335 [0,2,0,0,0,0|2,0,0]=4 8371 B9R0.22 CCS(=O)(=O)CC(=O)NC 527a_100102657272_100000744335 [0,2,0,0,0,0|2,0,0]=4 8372 B9R0.22 CNS(=O)(=O)CC(=O)OC 270084a_100102657272_100000736875 [0,2,0,0,0,0|2,0,0]=4 8373 B9R0.22 CNS(=O)(=O)CC(=O)OC 274078a_100102657272_100000736875 [0,2,0,0,0,0|2,0,0]=4 8374 B9R0.22 COC(=O)CC(C)(C)OC 7a_100015205050_200000210301 [0,2,0,0,0,0|1,0,0]=3 8375 B9R0.22 COC(=O)CC(C)(C)O[13CH3] 7a_100015205050_200025704644 [0,2,0,0,0,0|1,0,0]=3 8376 B7R1.1 COC1CCCC1 34a_100000210269_200000210301 [1,0,0,1,0,0|1,0,1]=4 8377 B7R1.1 COC1CCCC1 34a_100138415774_100000179811 [1,0,0,1,0,0|1,0,1]=4 8378 B7R1.1 COC1CCCC1 7a_100000210269_200000210301 [1,0,0,1,0,0|1,0,1]=4 8379 B7R1.1 COC1CCCO1 34a_100000085407_200000210301 [1,0,0,1,0,0|0,0,2]=4 8380 B7R1.1 [13CH3]OC1CCCC1 34a_100000210269_200025704644 [1,0,0,1,0,0|1,0,1]=4 8381 B7R1.1 [13CH3]OC1CCCC1 7a_100000210269_200025704644 [1,0,0,1,0,0|1,0,1]=4 8382 B7R1.1 [13CH3]OC1CCCO1 34a_100000085407_200025704644 [1,0,0,1,0,0|0,0,2]=4 8383 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [1,0,0,1,0,0|2,0,0]=4 8384 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [1,0,0,1,0,0|2,0,0]=4 8385 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [1,0,0,1,0,0|2,0,0]=4 8386 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [1,0,0,1,0,0|2,0,0]=4 8387 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [1,0,0,1,0,0|2,0,0]=4 8388 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [1,0,0,1,0,0|2,0,0]=4 8389 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [1,0,0,1,0,0|2,0,0]=4 8390 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [1,0,0,1,0,0|2,0,0]=4 8391 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [1,0,0,1,0,0|2,0,0]=4 8392 B7R1.22 CC(O[13CH3])C1CC1 34a_100000744524_200025704644 [1,0,0,1,0,0|1,0,1]=4 8393 B7R1.22 CC(O[13CH3])C1CC1 7a_100000744524_200025704644 [1,0,0,1,0,0|1,0,1]=4 8394 B7R1.22 CCC(=O)C1CC1 1458a_100000210395_100000210202 [1,0,0,1,0,0|1,0,0]=3 8395 B7R1.22 CCC(=O)C1CO1 1458a_100000701028_100000210202 [1,0,0,1,0,0|2,0,0]=4 8396 B7R1.22 CNC(=O)C1CC1 11a_106832991635_100000210395 [1,0,0,1,0,0|1,0,0]=3 8397 B7R1.22 CNC(=O)C1CC1 1626a_100102657272_100000210395 [1,0,0,1,0,0|1,0,0]=3 8398 B7R1.22 CNC(=O)C1CC1 240690a_100102657272_100000210395 [1,0,0,1,0,0|1,0,0]=3 8399 B7R1.22 CNC(=O)C1CC1 527a_100102657272_100000210395 [1,0,0,1,0,0|1,0,0]=3 8400 B7R1.22 CNC(=O)C1CO1 11a_106832991635_100000701028 [1,0,0,1,0,0|2,0,0]=4 8401 B7R1.22 CNC(=O)C1CO1 1626a_100102657272_100000701028 [1,0,0,1,0,0|2,0,0]=4 8402 B7R1.22 CNC(=O)C1CO1 240690a_100102657272_100000701028 [1,0,0,1,0,0|2,0,0]=4 8403 B7R1.22 CNC(=O)C1CO1 527a_100102657272_100000701028 [1,0,0,1,0,0|2,0,0]=4 8404 B7R1.22 COC(C)C1CC1 34a_100000744524_200000210301 [1,0,0,1,0,0|1,0,1]=4 8405 B7R1.22 COC(C)C1CC1 7a_100000744524_200000210301 [1,0,0,1,0,0|1,0,1]=4 8406 B7R1.22 O=C(CF)C1CC1 1458a_100000210395_100015361967 [1,0,0,1,0,0|2,0,0]=4 8407 B7R1.25 CC1(CCC1)O[13CH3] 34a_100000759064_200025704644 [1,0,0,1,0,0|1,0,1]=4 8408 B7R1.25 CC1(CCC1)O[13CH3] 7a_100000759064_200025704644 [1,0,0,1,0,0|1,0,1]=4 8409 B7R1.25 COC1(CCC1)C 34a_100000759064_200000210301 [1,0,0,1,0,0|1,0,1]=4 8410 B7R1.25 COC1(CCC1)C 7a_100000759064_200000210301 [1,0,0,1,0,0|1,0,1]=4 8411 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [1,0,0,1,0,0|0,0,0]=2 8412 B7R1.12 CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200000210301 [1,0,0,1,0,0|1,0,0]=3 8413 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [1,0,0,1,0,0|0,0,0]=2 8414 B7R1.12 [13CH3]C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200025704644 [1,0,0,1,0,0|1,0,0]=3 8415 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [1,0,0,1,0,0|0,0,0]=2 8416 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [1,0,0,1,0,0|0,0,0]=2 8417 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [1,0,0,1,0,0|1,0,0]=3 8418 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [1,0,0,1,0,0|1,0,0]=3 8419 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [1,0,0,1,0,0|1,0,0]=3 8420 B7R1.18 CC(=O)N1CCC1 11a_100000754969_100015343762 [1,0,0,1,0,0|1,0,0]=3 8421 B7R1.18 CC(=O)N1CCC1 240690a_100000754969_100015343762 [1,0,0,1,0,0|1,0,0]=3 8422 B7R1.18 CC(=O)N1CCC1 527a_100000754969_100103153847 [1,0,0,1,0,0|1,0,0]=3 8423 B7R1.18 CN(C)C1CCC1 2230a_100000758072_200000210301 [1,0,0,1,0,0|2,0,0]=4 8424 B7R1.18 CN(C)C1CCC1 269982a_100000758072_200000210301 [1,0,0,1,0,0|2,0,0]=4 8425 B7R1.18 CN(C)C1CCC1 269982a_100102631434_100000749161 [1,0,0,1,0,0|2,0,0]=4 8426 B7R1.18 CN(C)C1CCC1 270004a_100102631434_100000241760 [1,0,0,1,0,0|2,0,0]=4 8427 B7R1.18 CN(C)C1CCC1 34a_100000758072_200000210301 [1,0,0,1,0,0|2,0,0]=4 8428 B7R1.18 CN([13CH3])C1CCC1 2230a_100000758072_200025704644 [1,0,0,1,0,0|2,0,0]=4 8429 B7R1.18 CN([13CH3])C1CCC1 269982a_100000758072_200025704644 [1,0,0,1,0,0|2,0,0]=4 8430 B7R1.18 CN([13CH3])C1CCC1 34a_100000758072_200025704644 [1,0,0,1,0,0|2,0,0]=4 8431 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [1,0,0,1,0,0|0,0,0]=2 8432 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [1,0,0,1,0,0|1,0,0]=3 8433 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [1,0,0,1,0,0|1,0,0]=3 8434 B7R1.20 CC(=O)CC1CC1 1458a_100000070787_100000742324 [1,0,0,1,0,0|0,0,0]=2 8435 B7R1.20 CC(=O)CC1CC1 1458a_100000738066_200000210301 [1,0,0,1,0,0|0,0,0]=2 8436 B7R1.20 CC(=O)CC1CO1 1458a_100000070787_100011216344 [1,0,0,1,0,0|1,0,0]=3 8437 B7R1.20 CC(=O)CC1CS1 1458a_100000070787_100000031435 [1,0,0,1,0,0|1,0,0]=3 8438 B7R1.20 CC(=O)C[C@@H]1CO1 1458a_100000070787_100000745022 [1,0,0,1,0,0|1,0,0]=3 8439 B7R1.20 CC(=O)NC1CC1 1626a_100000212008_100015343762 [1,0,0,1,0,0|1,0,0]=3 8440 B7R1.20 CC(=O)NC1CC1 240690a_100000212008_100015343762 [1,0,0,1,0,0|1,0,0]=3 8441 B7R1.20 CC(=O)NC1CC1 527a_100000212008_100103153847 [1,0,0,1,0,0|1,0,0]=3 8442 B7R1.20 CN(C)CC1CC1 2230a_100000741881_200000210301 [1,0,0,1,0,0|2,0,0]=4 8443 B7R1.20 CN(C)CC1CC1 2230a_100102631434_100000742324 [1,0,0,1,0,0|2,0,0]=4 8444 B7R1.20 CN(C)CC1CC1 269982a_100000741881_200000210301 [1,0,0,1,0,0|2,0,0]=4 8445 B7R1.20 CN(C)CC1CC1 269982a_100102631434_100000756562 [1,0,0,1,0,0|2,0,0]=4 8446 B7R1.20 CN([13CH3])CC1CC1 2230a_100000741881_200025704644 [1,0,0,1,0,0|2,0,0]=4 8447 B7R1.20 CN([13CH3])CC1CC1 269982a_100000741881_200025704644 [1,0,0,1,0,0|2,0,0]=4 8448 B7R1.20 [13CH3]C(=O)CC1CC1 1458a_100000738066_200025704644 [1,0,0,1,0,0|0,0,0]=2 8449 B9R1.2 CC1=CC(CCC1)O[13CH3] 34a_100011218613_200025704644 [0,1,0,1,0,0|1,0,1]=4 8450 B9R1.2 CC1CC(CCO1)O[13CH3] 34a_100011986385_200025704644 [0,1,0,1,0,0|1,0,1]=4 8451 B9R1.2 CC1CC(CCO1)O[13CH3] 7a_100011986385_200025704644 [0,1,0,1,0,0|1,0,1]=4 8452 B9R1.2 CC1CCCC(C1)O[13CH3] 34a_100000211399_200025704644 [0,1,0,1,0,0|1,0,1]=4 8453 B9R1.2 CCN1CCNC(=O)C1 2230a_100000184651_100000210202 [0,1,0,1,0,0|2,0,0]=4 8454 B9R1.2 CCN1CCOC(=O)C1 2230a_100000131268_100000210202 [0,1,0,1,0,0|1,0,0]=3 8455 B9R1.2 CNC1CCNC(=O)C1 2230a_100016994916_200000210301 [0,1,0,1,0,0|2,0,0]=4 8456 B9R1.2 CNC1CCNC(=O)C1 34a_100016994916_200000210301 [0,1,0,1,0,0|2,0,0]=4 8457 B9R1.2 COC1C=C(CCC1)C 34a_100011218613_200000210301 [0,1,0,1,0,0|1,0,1]=4 8458 B9R1.2 COC1CCCC(=O)C1 34a_100012613340_200000210301 [0,1,0,1,0,0|2,0,0]=4 8459 B9R1.2 COC1CCCC(C1)C 34a_100000211399_200000210301 [0,1,0,1,0,0|1,0,1]=4 8460 B9R1.2 COC1CCCN(C1)C 2230a_100000695604_200000210301 [0,1,0,1,0,0|1,0,1]=4 8461 B9R1.2 COC1CCCN(C1)C 269982a_100000695604_200000210301 [0,1,0,1,0,0|1,0,1]=4 8462 B9R1.2 COC1CCCN(C1)C 34a_100000695604_200000210301 [0,1,0,1,0,0|1,0,1]=4 8463 B9R1.2 COC1CCCN(C1)[13CH3] 2230a_100000695604_200025704644 [0,1,0,1,0,0|1,0,1]=4 8464 B9R1.2 COC1CCCN(C1)[13CH3] 269982a_100000695604_200025704644 [0,1,0,1,0,0|1,0,1]=4 8465 B9R1.2 COC1CCCN(C1)[13CH3] 34a_100000695604_200025704644 [0,1,0,1,0,0|1,0,1]=4 8466 B9R1.2 COC1CCOC(C1)C 34a_100011986385_200000210301 [0,1,0,1,0,0|1,0,1]=4 8467 B9R1.2 COC1CCOC(C1)C 7a_100011986385_200000210301 [0,1,0,1,0,0|1,0,1]=4 8468 B9R1.2 CO[C@@H]1CCNC(=O)C1 34a_100015189427_200000210301 [0,1,0,1,0,0|2,0,0]=4 8469 B9R1.2 [13CH3]NC1CCNC(=O)C1 2230a_100016994916_200025704644 [0,1,0,1,0,0|2,0,0]=4 8470 B9R1.2 [13CH3]NC1CCNC(=O)C1 34a_100016994916_200025704644 [0,1,0,1,0,0|2,0,0]=4 8471 B9R1.2 [13CH3]OC1CCCC(=O)C1 34a_100012613340_200025704644 [0,1,0,1,0,0|2,0,0]=4 8472 B9R1.2 [13CH3]O[C@@H]1CCNC(=O)C1 34a_100015189427_200025704644 [0,1,0,1,0,0|2,0,0]=4 8473 B9R1.7 CC1CCC(C1)OCF 34a_100000698185_100015361967 [0,1,0,1,0,0|1,0,1]=4 8474 B9R1.7 CCCN1CNC(=O)C1 2230a_200000708111_100000210303 [0,1,0,1,0,0|1,0,0]=3 8475 B9R1.7 CCNC1CNC(=O)C1 2230a_100000697751_100000210202 [0,1,0,1,0,0|1,0,0]=3 8476 B9R1.7 CCOC1CCC(=O)C1 34a_100012614533_100000210202 [0,1,0,1,0,0|1,0,0]=3 8477 B9R1.7 CCOC1CCC(C1)C 34a_100000698185_100000210202 [0,1,0,1,0,0|1,0,1]=4 8478 B9R1.7 CCOC1CNC(=O)C1 34a_100000690082_100000210202 [0,1,0,1,0,0|1,0,0]=3 8479 B9R1.7 CCOC1COC(=O)O1 34a_100121572206_100000032252 [0,1,0,1,0,0|1,0,0]=3 8480 B9R1.7 CCSC1COC(=O)O1 62a_100000210202_100000032252 [0,1,0,1,0,0|1,0,0]=3 8481 B9R1.7 CNCC1=CC(=O)OC1 34a_100102657272_100000716558 [0,1,0,1,0,0|0,0,2]=4 8482 B9R1.7 CNCC1CNC(=O)C1 2230a_100016993742_200000210301 [0,1,0,1,0,0|1,0,0]=3 8483 B9R1.7 CNCC1CNC(=O)C1 34a_100016993742_200000210301 [0,1,0,1,0,0|1,0,0]=3 8484 B9R1.7 CNCC1CNC(=O)O1 2230a_106832991635_100000181169 [0,1,0,1,0,0|2,0,0]=4 8485 B9R1.7 CNCC1CNC(=O)O1 34a_100102657272_100000181169 [0,1,0,1,0,0|2,0,0]=4 8486 B9R1.7 CNCC1CNC(=O)O1 7a_106832991635_100000181169 [0,1,0,1,0,0|2,0,0]=4 8487 B9R1.7 CNCC1COC(=O)O1 34a_100102657272_100000073702 [0,1,0,1,0,0|1,0,0]=3 8488 B9R1.7 CNC[C@@H]1CCC(=O)N1 2230a_106832991635_100015189358 [0,1,0,1,0,0|2,0,0]=4 8489 B9R1.7 CNC[C@@H]1CCC(=O)N1 7a_106832991635_100015189358 [0,1,0,1,0,0|2,0,0]=4 8490 B9R1.7 CNC[C@H]1CCC(=O)N1 2230a_100015423886_200000210301 [0,1,0,1,0,0|2,0,0]=4 8491 B9R1.7 CNC[C@H]1CCC(=O)N1 34a_100015423886_200000210301 [0,1,0,1,0,0|2,0,0]=4 8492 B9R1.7 CNC[C@H]1COC(=O)N1 2230a_106832991635_100015307671 [0,1,0,1,0,0|1,0,0]=3 8493 B9R1.7 CNC[C@H]1COC(=O)N1 34a_100102657272_100015307671 [0,1,0,1,0,0|1,0,0]=3 8494 B9R1.7 CNC[C@H]1COC(=O)N1 7a_106832991635_100015307671 [0,1,0,1,0,0|1,0,0]=3 8495 B9R1.7 COCC1=CC(=O)OC1 34a_100138415774_100000716558 [0,1,0,1,0,0|0,0,2]=4 8496 B9R1.7 COCC1CCC(=O)N1 34a_100000737831_200000210301 [0,1,0,1,0,0|2,0,0]=4 8497 B9R1.7 COCC1CNC(=O)C1 34a_100016041077_200000210301 [0,1,0,1,0,0|1,0,0]=3 8498 B9R1.7 COCC1CNC(=O)O1 34a_100011315639_200000210301 [0,1,0,1,0,0|2,0,0]=4 8499 B9R1.7 COCC1CNC(=O)O1 34a_100138415774_100000181169 [0,1,0,1,0,0|2,0,0]=4 8500 B9R1.7 COCC1COC(=O)O1 34a_100138415774_100000073702 [0,1,0,1,0,0|1,0,0]=3 8501 B9R1.7 COCN1CC[C@H](C1)C 2230a_100016987628_100000766300 [0,1,0,1,0,0|2,0,0]=4 8502 B9R1.7 COCN1CC[C@H](C1)C 269982a_100016987628_100000766300 [0,1,0,1,0,0|2,0,0]=4 8503 B9R1.7 COCN1CNC(=O)C1 2230a_200000708111_100000766300 [0,1,0,1,0,0|2,0,0]=4 8504 B9R1.7 COC[C@H]1COC(=O)N1 34a_100138415774_100015307671 [0,1,0,1,0,0|1,0,0]=3 8505 B9R1.7 CSCC1=CC(=O)OC1 62a_100000716558_200000210301 [0,1,0,1,0,0|0,0,2]=4 8506 B9R1.7 CSCC1=CC(=O)OC1 62a_200000210301_100000716558 [0,1,0,1,0,0|0,0,2]=4 8507 B9R1.7 CSCC1CNC(=O)O1 62a_100000181169_200000210301 [0,1,0,1,0,0|2,0,0]=4 8508 B9R1.7 CSCC1CNC(=O)O1 62a_200000210301_100000181169 [0,1,0,1,0,0|2,0,0]=4 8509 B9R1.7 CSCC1COC(=O)O1 62a_100000073702_200000210301 [0,1,0,1,0,0|1,0,0]=3 8510 B9R1.7 CSCC1COC(=O)O1 62a_200000210301_100000073702 [0,1,0,1,0,0|1,0,0]=3 8511 B9R1.7 CSCN1CNC(=O)C1 2230a_200000708111_100011218213 [0,1,0,1,0,0|2,0,0]=4 8512 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_100015189358_200000210301 [0,1,0,1,0,0|2,0,0]=4 8513 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_200000210301_100015189358 [0,1,0,1,0,0|2,0,0]=4 8514 B9R1.7 CSC[C@H]1COC(=O)N1 62a_100015307671_200000210301 [0,1,0,1,0,0|1,0,0]=3 8515 B9R1.7 CSC[C@H]1COC(=O)N1 62a_200000210301_100015307671 [0,1,0,1,0,0|1,0,0]=3 8516 B9R1.7 O=C1CC(CN1)OCF 34a_100000690082_100015361967 [0,1,0,1,0,0|2,0,0]=4 8517 B9R1.7 O=C1CCC(C1)OCF 34a_100012614533_100015361967 [0,1,0,1,0,0|2,0,0]=4 8518 B9R1.7 O=C1CN(CN1)CCF 2230a_200000708111_100011217306 [0,1,0,1,0,0|2,0,0]=4 8519 B9R1.7 O=C1CN(CN1)CCO 2230a_200000708111_100000211926 [0,1,0,1,0,0|2,0,0]=4 8520 B9R1.7 O=C1OCC(O1)SCF 62a_100015361967_100000032252 [0,1,0,1,0,0|2,0,0]=4 8521 B9R1.7 [13CH3]NCC1CNC(=O)C1 2230a_100016993742_200025704644 [0,1,0,1,0,0|1,0,0]=3 8522 B9R1.7 [13CH3]NCC1CNC(=O)C1 34a_100016993742_200025704644 [0,1,0,1,0,0|1,0,0]=3 8523 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 2230a_100015423886_200025704644 [0,1,0,1,0,0|2,0,0]=4 8524 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 34a_100015423886_200025704644 [0,1,0,1,0,0|2,0,0]=4 8525 B9R1.7 [13CH3]OCC1CCC(=O)N1 34a_100000737831_200025704644 [0,1,0,1,0,0|2,0,0]=4 8526 B9R1.7 [13CH3]OCC1CNC(=O)C1 34a_100016041077_200025704644 [0,1,0,1,0,0|1,0,0]=3 8527 B9R1.7 [13CH3]OCC1CNC(=O)O1 34a_100011315639_200025704644 [0,1,0,1,0,0|2,0,0]=4 8528 B9R1.7 [13CH3]SCC1=CC(=O)OC1 62a_100000716558_200025704644 [0,1,0,1,0,0|0,0,2]=4 8529 B9R1.7 [13CH3]SCC1=CC(=O)OC1 62a_200025704644_100000716558 [0,1,0,1,0,0|0,0,2]=4 8530 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_100000181169_200025704644 [0,1,0,1,0,0|2,0,0]=4 8531 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_200025704644_100000181169 [0,1,0,1,0,0|2,0,0]=4 8532 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_100000073702_200025704644 [0,1,0,1,0,0|1,0,0]=3 8533 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_200025704644_100000073702 [0,1,0,1,0,0|1,0,0]=3 8534 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_100015189358_200025704644 [0,1,0,1,0,0|2,0,0]=4 8535 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_200025704644_100015189358 [0,1,0,1,0,0|2,0,0]=4 8536 B9R1.7 [13CH3]SC[C@H]1COC(=O)N1 62a_100015307671_200025704644 [0,1,0,1,0,0|1,0,0]=3 8537 B9R1.7 [13CH3]SC[C@H]1COC(=O)N1 62a_200025704644_100015307671 [0,1,0,1,0,0|1,0,0]=3 8538 B9R1.8 CCOC1CCCCC1 34a_100000210231_100000210202 [0,1,0,1,0,0|1,0,1]=4 8539 B9R1.8 CCOC1CCCCC1 34a_100121572206_100000210327 [0,1,0,1,0,0|1,0,1]=4 8540 B9R1.8 CCOC1CCCCC1 7a_100000210231_100000210202 [0,1,0,1,0,0|1,0,1]=4 8541 B9R1.8 CCOC1CCCCO1 34a_100000033831_100000210202 [0,1,0,1,0,0|0,0,2]=4 8542 B9R1.8 COCC1CCCCC1 34a_100000212181_200000210301 [0,1,0,1,0,0|1,0,1]=4 8543 B9R1.8 COCC1CCCCC1 34a_100138415774_100000211423 [0,1,0,1,0,0|1,0,1]=4 8544 B9R1.8 COCC1CCCCC1 7a_100000212181_200000210301 [0,1,0,1,0,0|1,0,1]=4 8545 B9R1.8 COCC1CCCCN1 34a_100000210821_200000210301 [0,1,0,1,0,0|1,0,1]=4 8546 B9R1.8 COCC1CCCCO1 34a_100000211370_200000210301 [0,1,0,1,0,0|0,0,2]=4 8547 B9R1.8 COCC1CCCCO1 34a_100138415774_100000211543 [0,1,0,1,0,0|0,0,2]=4 8548 B9R1.8 COCC1CCCCO1 7a_100000211370_200000210301 [0,1,0,1,0,0|0,0,2]=4 8549 B9R1.8 FCOC1CCCCC1 34a_100000210231_100015361967 [0,1,0,1,0,0|1,0,1]=4 8550 B9R1.8 FCOC1CCCCC1 7a_100000210231_100015361967 [0,1,0,1,0,0|1,0,1]=4 8551 B9R1.8 FCOC1CCCCO1 34a_100000033831_100015361967 [0,1,0,1,0,0|0,0,2]=4 8552 B9R1.8 [13CH3]OCC1CCCCC1 34a_100000212181_200025704644 [0,1,0,1,0,0|1,0,1]=4 8553 B9R1.8 [13CH3]OCC1CCCCC1 7a_100000212181_200025704644 [0,1,0,1,0,0|1,0,1]=4 8554 B9R1.8 [13CH3]OCC1CCCCN1 34a_100000210821_200025704644 [0,1,0,1,0,0|1,0,1]=4 8555 B9R1.8 [13CH3]OCC1CCCCO1 34a_100000211370_200025704644 [0,1,0,1,0,0|0,0,2]=4 8556 B9R1.8 [13CH3]OCC1CCCCO1 7a_100000211370_200025704644 [0,1,0,1,0,0|0,0,2]=4 8557 B9R1.12 CCCCc1ccco1 271570a_100020621405_100009814098 [0,1,0,1,0,0|1,0,1]=4 8558 B9R1.12 CCCCc1ccoc1 271570a_100020621405_100011215275 [0,1,0,1,0,0|1,0,1]=4 8559 B9R1.12 CCCCc1cnco1 271570a_100020621405_100020591547 [0,1,0,1,0,0|1,0,1]=4 8560 B9R1.12 CCCCc1cnoc1 271570a_100020621405_100009815712 [0,1,0,1,0,0|2,0,0]=4 8561 B9R1.12 CCCCc1ncco1 271570a_100020621405_100011787736 [0,1,0,1,0,0|1,0,1]=4 8562 B9R1.15 CC1CCCCC1O[13CH3] 34a_100000211207_200025704644 [0,1,0,1,0,0|1,0,1]=4 8563 B9R1.15 CC1CCCCC1O[13CH3] 7a_100000211207_200025704644 [0,1,0,1,0,0|1,0,1]=4 8564 B9R1.15 CNC1CCCCC1=O 34a_100102657272_100000754470 [0,1,0,1,0,0|1,0,0]=3 8565 B9R1.15 CNC1CCCCC1=O 7a_106832991635_100000204591 [0,1,0,1,0,0|1,0,0]=3 8566 B9R1.15 CNC1CCCNC1=O 2230a_100000747585_200000210301 [0,1,0,1,0,0|2,0,0]=4 8567 B9R1.15 CNC1CCCNC1=O 2230a_106832991635_100000687798 [0,1,0,1,0,0|2,0,0]=4 8568 B9R1.15 CNC1CCCNC1=O 34a_100000747585_200000210301 [0,1,0,1,0,0|2,0,0]=4 8569 B9R1.15 CNC1CCCNC1=O 34a_100102657272_100000687798 [0,1,0,1,0,0|2,0,0]=4 8570 B9R1.15 CNC1CCCNC1=O 7a_106832991635_100000687798 [0,1,0,1,0,0|2,0,0]=4 8571 B9R1.15 CNC1COCCC1=O 34a_100102657272_100012180262 [0,1,0,1,0,0|2,0,0]=4 8572 B9R1.15 CNC1COCCC1=O 7a_106832991635_100012180262 [0,1,0,1,0,0|2,0,0]=4 8573 B9R1.15 COC1CCCCC1=O 34a_100011214950_200000210301 [0,1,0,1,0,0|0,0,0]=2 8574 B9R1.15 COC1CCCCC1=O 34a_100138415774_100000754470 [0,1,0,1,0,0|0,0,0]=2 8575 B9R1.15 COC1CCCCC1C 34a_100000211207_200000210301 [0,1,0,1,0,0|1,0,1]=4 8576 B9R1.15 COC1CCCCC1C 7a_100000211207_200000210301 [0,1,0,1,0,0|1,0,1]=4 8577 B9R1.15 COC1CCCCC1Cl 34a_100000038908_200000210301 [0,1,0,1,0,0|1,0,1]=4 8578 B9R1.15 COC1CCCCC1Cl 7a_100000038908_200000210301 [0,1,0,1,0,0|1,0,1]=4 8579 B9R1.15 COC1CCCCC1F 34a_100138415774_100015423560 [0,1,0,1,0,0|1,0,1]=4 8580 B9R1.15 COC1CCCCC1O 34a_100138415774_100000038908 [0,1,0,1,0,0|0,0,2]=4 8581 B9R1.15 COC1CCCNC1=O 34a_100000073722_200000210301 [0,1,0,1,0,0|1,0,0]=3 8582 B9R1.15 COC1CCCNC1=O 34a_100138415774_100000687798 [0,1,0,1,0,0|1,0,0]=3 8583 B9R1.15 COC1COCCC1=O 34a_100138415774_100012180262 [0,1,0,1,0,0|1,0,0]=3 8584 B9R1.15 CO[C@@H]1CCCC[C@H]1F 34a_100009816020_200000210301 [0,1,0,1,0,0|1,0,1]=4 8585 B9R1.15 CO[C@@H]1CCCC[C@H]1F 7a_100009816020_200000210301 [0,1,0,1,0,0|1,0,1]=4 8586 B9R1.15 CO[C@H]1CCCC[C@H]1N 34a_100015191688_200000210301 [0,1,0,1,0,0|1,0,1]=4 8587 B9R1.15 CSC1CCCCC1=O 62a_100000204591_200000210301 [0,1,0,1,0,0|0,1,0]=3 8588 B9R1.15 CSC1CCCCC1=O 62a_200000210301_100000204591 [0,1,0,1,0,0|0,1,0]=3 8589 B9R1.15 CSC1CCCNC1=O 62a_100000687798_200000210301 [0,1,0,1,0,0|1,1,0]=4 8590 B9R1.15 CSC1CCCNC1=O 62a_200000210301_100000687798 [0,1,0,1,0,0|1,1,0]=4 8591 B9R1.15 CSC1COCCC1=O 62a_100012180262_200000210301 [0,1,0,1,0,0|1,1,0]=4 8592 B9R1.15 CSC1COCCC1=O 62a_200000210301_100012180262 [0,1,0,1,0,0|1,1,0]=4 8593 B9R1.15 [13CH3]NC1CCCNC1=O 2230a_100000747585_200025704644 [0,1,0,1,0,0|2,0,0]=4 8594 B9R1.15 [13CH3]NC1CCCNC1=O 34a_100000747585_200025704644 [0,1,0,1,0,0|2,0,0]=4 8595 B9R1.15 [13CH3]OC1CCCCC1=O 34a_100011214950_200025704644 [0,1,0,1,0,0|0,0,0]=2 8596 B9R1.15 [13CH3]OC1CCCCC1Cl 34a_100000038908_200025704644 [0,1,0,1,0,0|1,0,1]=4 8597 B9R1.15 [13CH3]OC1CCCCC1Cl 7a_100000038908_200025704644 [0,1,0,1,0,0|1,0,1]=4 8598 B9R1.15 [13CH3]OC1CCCNC1=O 34a_100000073722_200025704644 [0,1,0,1,0,0|1,0,0]=3 8599 B9R1.15 [13CH3]O[C@@H]1CCCC[C@H]1F 34a_100009816020_200025704644 [0,1,0,1,0,0|1,0,1]=4 8600 B9R1.15 [13CH3]O[C@@H]1CCCC[C@H]1F 7a_100009816020_200025704644 [0,1,0,1,0,0|1,0,1]=4 8601 B9R1.15 [13CH3]O[C@H]1CCCC[C@H]1N 34a_100015191688_200025704644 [0,1,0,1,0,0|1,0,1]=4 8602 B9R1.15 [13CH3]SC1CCCCC1=O 62a_100000204591_200025704644 [0,1,0,1,0,0|0,1,0]=3 8603 B9R1.15 [13CH3]SC1CCCCC1=O 62a_200025704644_100000204591 [0,1,0,1,0,0|0,1,0]=3 8604 B9R1.15 [13CH3]SC1CCCNC1=O 62a_100000687798_200025704644 [0,1,0,1,0,0|1,1,0]=4 8605 B9R1.15 [13CH3]SC1CCCNC1=O 62a_200025704644_100000687798 [0,1,0,1,0,0|1,1,0]=4 8606 B9R1.15 [13CH3]SC1COCCC1=O 62a_100012180262_200025704644 [0,1,0,1,0,0|1,1,0]=4 8607 B9R1.15 [13CH3]SC1COCCC1=O 62a_200025704644_100012180262 [0,1,0,1,0,0|1,1,0]=4 8608 B9R1.33 CCNC1CCCC1=O 2230a_100015525214_100000211823 [0,1,0,1,0,0|2,0,0]=4 8609 B9R1.33 CCNC1CCNC1=O 2230a_100016995588_100000210202 [0,1,0,1,0,0|2,0,0]=4 8610 B9R1.33 CCNC1CCNC1=O 34a_100016995588_100000210202 [0,1,0,1,0,0|2,0,0]=4 8611 B9R1.33 CCNC1CCOC1=O 2230a_100015525214_100000211211 [0,1,0,1,0,0|1,0,0]=3 8612 B9R1.33 CCN[C@@H]1CONC1=O 2230a_100000765999_100000210202 [0,1,0,1,0,0|1,0,0]=3 8613 B9R1.33 CCN[C@@H]1CONC1=O 34a_100000765999_100000210202 [0,1,0,1,0,0|1,0,0]=3 8614 B9R1.33 CCOC1CCCC1=O 34a_100121572206_100000709159 [0,1,0,1,0,0|2,0,0]=4 8615 B9R1.33 CCOC1CCCC1=O 34a_200000719330_100000210202 [0,1,0,1,0,0|2,0,0]=4 8616 B9R1.33 CCOC1CCOC1=O 34a_100121572206_100000211211 [0,1,0,1,0,0|1,0,0]=3 8617 B9R1.33 CCO[C@H]1CCNC1=O 34a_100000688343_100000210202 [0,1,0,1,0,0|2,0,0]=4 8618 B9R1.33 CCSC1CCCC1=O 62a_100000210202_100000211823 [0,1,0,1,0,0|2,0,0]=4 8619 B9R1.33 CCSC1CCCC1=O 62a_100000211823_100000210202 [0,1,0,1,0,0|2,0,0]=4 8620 B9R1.33 CCSC1CCOC1=O 62a_100000210202_100000211211 [0,1,0,1,0,0|1,0,0]=3 8621 B9R1.33 CCSC1CCOC1=O 62a_100000211211_100000210202 [0,1,0,1,0,0|1,0,0]=3 8622 B9R1.33 COCC1CCNC1=O 34a_100000133458_200000210301 [0,1,0,1,0,0|2,0,0]=4 8623 B9R1.33 O=C1NOC[C@H]1NCF 34a_100000765999_100015361967 [0,1,0,1,0,0|2,0,0]=4 8624 B9R1.33 O=C1OCCC1SCF 62a_100000211211_100015361967 [0,1,0,1,0,0|2,0,0]=4 8625 B9R1.33 O=C1OCCC1SCF 62a_100015361967_100000211211 [0,1,0,1,0,0|2,0,0]=4 8626 B9R1.33 [13CH3]OCC1CCNC1=O 34a_100000133458_200025704644 [0,1,0,1,0,0|2,0,0]=4 8627 B9R1.48 CN1CCCNC(=O)C1 2230a_100015190381_200000210301 [0,1,0,1,0,0|2,0,0]=4 8628 B9R1.48 [13CH3]N1CCCNC(=O)C1 2230a_100015190381_200025704644 [0,1,0,1,0,0|2,0,0]=4 8629 B9R1.49 CN1CCNC(=O)CC1 2230a_100000698595_200000210301 [0,1,0,1,0,0|2,0,0]=4 8630 B9R1.49 CN1CCNC(=O)CC1 269982a_100000698595_200000210301 [0,1,0,1,0,0|2,0,0]=4 8631 B9R1.49 [13CH3]N1CCNC(=O)CC1 2230a_100000698595_200025704644 [0,1,0,1,0,0|2,0,0]=4 8632 B9R1.49 [13CH3]N1CCNC(=O)CC1 269982a_100000698595_200025704644 [0,1,0,1,0,0|2,0,0]=4 8633 B9R1.58 CCC1CN(C1)COC 2230a_100015205115_100000766300 [0,1,0,1,0,0|2,0,0]=4 8634 B9R1.58 CCC1CN(C1)COC 269982a_100015205115_100000766300 [0,1,0,1,0,0|2,0,0]=4 8635 B9R1.58 CCCN1CC(C1)OC 269982a_100000755009_100000210303 [0,1,0,1,0,0|1,0,1]=4 8636 B9R1.58 CCN[C@H]1C[C@@H](C1)OC 2230a_100121570643_100000210202 [0,1,0,1,0,0|1,0,1]=4 8637 B9R1.69 CN1CCN(C(=O)C1)C 2230a_100000187256_200000210301 [0,1,0,1,0,0|2,0,0]=4 8638 B9R1.69 CN1CCN(C(=O)C1)C 269982a_100000187256_200000210301 [0,1,0,1,0,0|2,0,0]=4 8639 B9R1.69 CN1CCN(CC1=O)[13CH3] 2230a_100000187256_200025704644 [0,1,0,1,0,0|2,0,0]=4 8640 B9R1.69 CN1CCN(CC1=O)[13CH3] 269982a_100000187256_200025704644 [0,1,0,1,0,0|2,0,0]=4 8641 B9R1.73 C#CCC(=O)C1CCC1 1458a_100000209988_100000184674 [0,1,0,1,0,0|1,0,1]=4 8642 B9R1.73 C#CCC(=O)C1CCC1 1458a_100011220946_100000749161 [0,1,0,1,0,0|1,0,1]=4 8643 B9R1.73 C=CCC(=O)C1CCC1 1458a_100000209988_100000210623 [0,1,0,1,0,0|1,0,1]=4 8644 B9R1.73 C=CCC(=O)C1CCC1 1458a_100000210193_100000749161 [0,1,0,1,0,0|1,0,1]=4 8645 B9R1.73 CC#CC(=O)C1CCC1 1458a_100000763181_100000749161 [0,1,0,1,0,0|1,0,0]=3 8646 B9R1.73 CC#CC(=O)C1COC1 1458a_100000763181_100000687716 [0,1,0,1,0,0|2,0,0]=4 8647 B9R1.73 CC(OCF)C1CCC1 34a_100000766398_100015361967 [0,1,0,1,0,0|1,0,1]=4 8648 B9R1.73 CC(OCF)C1CCC1 7a_100000766398_100015361967 [0,1,0,1,0,0|1,0,1]=4 8649 B9R1.73 CC=CC(=O)C1CCC1 1458a_100000210699_100000749161 [0,1,0,1,0,0|1,0,0]=3 8650 B9R1.73 CC=CC(=O)C1COC1 1458a_100000210699_100000687716 [0,1,0,1,0,0|2,0,0]=4 8651 B9R1.73 CC=CC(=O)N1CCC1 11a_100000754969_100000210699 [0,1,0,1,0,0|2,0,0]=4 8652 B9R1.73 CC=CC(=O)N1CCC1 240690a_100000754969_100000210699 [0,1,0,1,0,0|2,0,0]=4 8653 B9R1.73 CCCC(=O)C1CCC1 1458a_100000209988_100000210303 [0,1,0,1,0,0|1,0,0]=3 8654 B9R1.73 CCCC(=O)C1CCC1 1458a_100000211992_100000749161 [0,1,0,1,0,0|1,0,0]=3 8655 B9R1.73 CCCC(=O)C1CCO1 1458a_100000089072_100000210303 [0,1,0,1,0,0|2,0,0]=4 8656 B9R1.73 CCCC(=O)C1COC1 1458a_100000211992_100000687716 [0,1,0,1,0,0|2,0,0]=4 8657 B9R1.73 CCCC(=O)C1COC1 1458a_100000758290_100000210303 [0,1,0,1,0,0|2,0,0]=4 8658 B9R1.73 CCCC(=O)N1CCC1 11a_100000754969_100000211992 [0,1,0,1,0,0|2,0,0]=4 8659 B9R1.73 CCCC(=O)N1CCC1 240690a_100000754969_100000211992 [0,1,0,1,0,0|2,0,0]=4 8660 B9R1.73 CCCC(=O)N1CCC1 527a_100000754969_100000211992 [0,1,0,1,0,0|2,0,0]=4 8661 B9R1.73 CCNC(=O)C1CCC1 11a_100015525214_100000209988 [0,1,0,1,0,0|1,0,0]=3 8662 B9R1.73 CCNC(=O)C1CCC1 240690a_100015525214_100000209988 [0,1,0,1,0,0|1,0,0]=3 8663 B9R1.73 CCNC(=O)C1CCC1 527a_100015525214_100000209988 [0,1,0,1,0,0|1,0,0]=3 8664 B9R1.73 CCNC(=O)C1CCO1 11a_100015525214_100000089072 [0,1,0,1,0,0|2,0,0]=4 8665 B9R1.73 CCNC(=O)C1CCO1 240690a_100015525214_100000089072 [0,1,0,1,0,0|2,0,0]=4 8666 B9R1.73 CCNC(=O)C1CCO1 527a_100015525214_100000089072 [0,1,0,1,0,0|2,0,0]=4 8667 B9R1.73 CCNC(=O)C1COC1 11a_100015525214_100000758290 [0,1,0,1,0,0|2,0,0]=4 8668 B9R1.73 CCNC(=O)C1COC1 240690a_100015525214_100000758290 [0,1,0,1,0,0|2,0,0]=4 8669 B9R1.73 CCNC(=O)C1COC1 527a_100015525214_100000758290 [0,1,0,1,0,0|2,0,0]=4 8670 B9R1.73 CCNC(=O)N1CCC1 2708a_100015525214_100000754969 [0,1,0,1,0,0|2,0,0]=4 8671 B9R1.73 CCNC(=O)N1CCC1 273464a_100015525214_100000754969 [0,1,0,1,0,0|2,0,0]=4 8672 B9R1.73 CCOC(C)C1CCC1 34a_100000766398_100000210202 [0,1,0,1,0,0|1,0,1]=4 8673 B9R1.73 CCOC(C)C1CCC1 7a_100000766398_100000210202 [0,1,0,1,0,0|1,0,1]=4 8674 B9R1.73 CNCC(=O)C1CCC1 2230a_106832991635_100000686122 [0,1,0,1,0,0|1,0,0]=3 8675 B9R1.73 CNCC(=O)C1CCC1 34a_100102657272_100000686122 [0,1,0,1,0,0|1,0,0]=3 8676 B9R1.73 CNCC(=O)C1CCC1 7a_106832991635_100000686122 [0,1,0,1,0,0|1,0,0]=3 8677 B9R1.73 CNCC(=O)N1CCC1 2230a_106832991635_100000185095 [0,1,0,1,0,0|2,0,0]=4 8678 B9R1.73 CNCC(=O)N1CCC1 34a_100102657272_100000185095 [0,1,0,1,0,0|2,0,0]=4 8679 B9R1.73 CNCC(=O)N1CCC1 7a_106832991635_100000185095 [0,1,0,1,0,0|2,0,0]=4 8680 B9R1.73 CNNC(=O)C1CCC1 22a_100016993582_100000209988 [0,1,0,1,0,0|1,0,0]=3 8681 B9R1.73 CNNC(=O)C1CCO1 22a_100016993582_100000089072 [0,1,0,1,0,0|2,0,0]=4 8682 B9R1.73 CNNC(=O)C1COC1 22a_100016993582_100000758290 [0,1,0,1,0,0|2,0,0]=4 8683 B9R1.73 COCC(=O)C1CCC1 1458a_100000210968_100000749161 [0,1,0,1,0,0|0,0,0]=2 8684 B9R1.73 COCC(=O)C1CCC1 34a_100138415774_100000686122 [0,1,0,1,0,0|0,0,0]=2 8685 B9R1.73 COCC(=O)C1COC1 1458a_100000210968_100000687716 [0,1,0,1,0,0|1,0,0]=3 8686 B9R1.73 COCC(=O)N1CCC1 11a_100000754969_100000210968 [0,1,0,1,0,0|1,0,0]=3 8687 B9R1.73 COCC(=O)N1CCC1 240690a_100000754969_100000210968 [0,1,0,1,0,0|1,0,0]=3 8688 B9R1.73 COCC(=O)N1CCC1 34a_100138415774_100000185095 [0,1,0,1,0,0|1,0,0]=3 8689 B9R1.73 COCC(=O)N1CCC1 527a_100000754969_100000210968 [0,1,0,1,0,0|1,0,0]=3 8690 B9R1.73 COCN(C)C1CCC1 2230a_100000758072_100000766300 [0,1,0,1,0,0|2,0,0]=4 8691 B9R1.73 COCN(C)C1CCC1 269982a_100000758072_100000766300 [0,1,0,1,0,0|2,0,0]=4 8692 B9R1.73 CSCC(=O)C1CCC1 1458a_100000184570_100000749161 [0,1,0,1,0,0|0,1,0]=3 8693 B9R1.73 CSCC(=O)C1CCC1 62a_100000686122_200000210301 [0,1,0,1,0,0|0,1,0]=3 8694 B9R1.73 CSCC(=O)C1CCC1 62a_200000210301_100000686122 [0,1,0,1,0,0|0,1,0]=3 8695 B9R1.73 CSCC(=O)C1COC1 1458a_100000184570_100000687716 [0,1,0,1,0,0|1,1,0]=4 8696 B9R1.73 CSCC(=O)N1CCC1 11a_100000754969_100000184570 [0,1,0,1,0,0|1,1,0]=4 8697 B9R1.73 CSCC(=O)N1CCC1 240690a_100000754969_100000184570 [0,1,0,1,0,0|1,1,0]=4 8698 B9R1.73 CSCC(=O)N1CCC1 527a_100000754969_100000184570 [0,1,0,1,0,0|1,1,0]=4 8699 B9R1.73 CSCC(=O)N1CCC1 62a_100000185095_200000210301 [0,1,0,1,0,0|1,1,0]=4 8700 B9R1.73 CSCC(=O)N1CCC1 62a_200000210301_100000185095 [0,1,0,1,0,0|1,1,0]=4 8701 B9R1.73 N#CCC(=O)C1CCC1 1458a_100000209988_100011214920 [0,1,0,1,0,0|1,0,1]=4 8702 B9R1.73 N#CCC(=O)C1CCC1 1458a_100051588842_100000749161 [0,1,0,1,0,0|1,0,1]=4 8703 B9R1.73 O=C(C=CBr)C1CCC1 1458a_100016273825_100000749161 [0,1,0,1,0,0|1,0,1]=4 8704 B9R1.73 O=C(C=CCl)C1CCC1 1458a_200016279998_100000749161 [0,1,0,1,0,0|1,0,1]=4 8705 B9R1.73 O=C(C=CI)C1CCC1 1458a_100016256311_100000749161 [0,1,0,1,0,0|1,0,1]=4 8706 B9R1.73 O=C(CCF)C1CCC1 1458a_100000209988_100011217306 [0,1,0,1,0,0|1,0,0]=3 8707 B9R1.73 O=C(CCF)C1CCO1 1458a_100000089072_100011217306 [0,1,0,1,0,0|2,0,0]=4 8708 B9R1.73 O=C(CCF)C1COC1 1458a_100000758290_100011217306 [0,1,0,1,0,0|2,0,0]=4 8709 B9R1.73 O=C(CCO)C1CCC1 1458a_100000209988_100000211926 [0,1,0,1,0,0|1,0,0]=3 8710 B9R1.73 O=C(CCO)C1CCC1 1458a_100011216618_100000749161 [0,1,0,1,0,0|1,0,0]=3 8711 B9R1.73 O=C(CCO)C1CCO1 1458a_100000089072_100000211926 [0,1,0,1,0,0|2,0,0]=4 8712 B9R1.73 O=C(CCO)C1COC1 1458a_100000758290_100000211926 [0,1,0,1,0,0|2,0,0]=4 8713 B9R1.73 O=C(CCO)C1COC1 1458a_100011216618_100000687716 [0,1,0,1,0,0|2,0,0]=4 8714 B9R1.73 O=C(CCO)N1CCC1 240690a_100000754969_100011216618 [0,1,0,1,0,0|2,0,0]=4 8715 B9R1.73 [13CH3]SCC(=O)C1CCC1 62a_100000686122_200025704644 [0,1,0,1,0,0|0,1,0]=3 8716 B9R1.73 [13CH3]SCC(=O)C1CCC1 62a_200025704644_100000686122 [0,1,0,1,0,0|0,1,0]=3 8717 B9R1.73 [13CH3]SCC(=O)N1CCC1 62a_100000185095_200025704644 [0,1,0,1,0,0|1,1,0]=4 8718 B9R1.73 [13CH3]SCC(=O)N1CCC1 62a_200025704644_100000185095 [0,1,0,1,0,0|1,1,0]=4 8719 B9R1.75 C#CCC(=O)CC1CC1 1458a_100000738066_100000184674 [0,1,0,1,0,0|1,0,1]=4 8720 B9R1.75 C#CCC(=O)CC1CC1 1458a_100011220946_100000742324 [0,1,0,1,0,0|1,0,1]=4 8721 B9R1.75 C=CCC(=O)CC1CC1 1458a_100000210193_100000742324 [0,1,0,1,0,0|1,0,1]=4 8722 B9R1.75 C=CCC(=O)CC1CC1 1458a_100000738066_100000210623 [0,1,0,1,0,0|1,0,1]=4 8723 B9R1.75 CC#CC(=O)CC1CC1 1458a_100000763181_100000742324 [0,1,0,1,0,0|1,0,0]=3 8724 B9R1.75 CC#CC(=O)CC1CO1 1458a_100000763181_100011216344 [0,1,0,1,0,0|2,0,0]=4 8725 B9R1.75 CC#CC(=O)CC1CS1 1458a_100000763181_100000031435 [0,1,0,1,0,0|2,0,0]=4 8726 B9R1.75 CC#CC(=O)C[C@@H]1CO1 1458a_100000763181_100000745022 [0,1,0,1,0,0|2,0,0]=4 8727 B9R1.75 CC=CC(=O)CC1CC1 1458a_100000210699_100000742324 [0,1,0,1,0,0|1,0,0]=3 8728 B9R1.75 CC=CC(=O)CC1CO1 1458a_100000210699_100011216344 [0,1,0,1,0,0|2,0,0]=4 8729 B9R1.75 CC=CC(=O)CC1CS1 1458a_100000210699_100000031435 [0,1,0,1,0,0|2,0,0]=4 8730 B9R1.75 CC=CC(=O)C[C@@H]1CO1 1458a_100000210699_100000745022 [0,1,0,1,0,0|2,0,0]=4 8731 B9R1.75 CC=CC(=O)NC1CC1 1626a_100000212008_100000210699 [0,1,0,1,0,0|2,0,0]=4 8732 B9R1.75 CC=CC(=O)NC1CC1 240690a_100000212008_100000210699 [0,1,0,1,0,0|2,0,0]=4 8733 B9R1.75 CCCC(=O)CC1CC1 1458a_100000211992_100000742324 [0,1,0,1,0,0|1,0,0]=3 8734 B9R1.75 CCCC(=O)CC1CC1 1458a_100000738066_100000210303 [0,1,0,1,0,0|1,0,0]=3 8735 B9R1.75 CCCC(=O)CC1CO1 1458a_100000211992_100011216344 [0,1,0,1,0,0|2,0,0]=4 8736 B9R1.75 CCCC(=O)CC1CS1 1458a_100000211992_100000031435 [0,1,0,1,0,0|2,0,0]=4 8737 B9R1.75 CCCC(=O)C[C@@H]1CO1 1458a_100000211992_100000745022 [0,1,0,1,0,0|2,0,0]=4 8738 B9R1.75 CCCC(=O)NC1CC1 1626a_100000212008_100000211992 [0,1,0,1,0,0|2,0,0]=4 8739 B9R1.75 CCCC(=O)NC1CC1 240690a_100000212008_100000211992 [0,1,0,1,0,0|2,0,0]=4 8740 B9R1.75 CCCC(=O)NC1CC1 527a_100000212008_100000211992 [0,1,0,1,0,0|2,0,0]=4 8741 B9R1.75 CCNC(=O)CC1CC1 11a_100015525214_100000738066 [0,1,0,1,0,0|1,0,0]=3 8742 B9R1.75 CCNC(=O)CC1CC1 240690a_100015525214_100000738066 [0,1,0,1,0,0|1,0,0]=3 8743 B9R1.75 CCNC(=O)CC1CC1 527a_100015525214_100000738066 [0,1,0,1,0,0|1,0,0]=3 8744 B9R1.75 CCNC(=O)NC1CC1 2708a_100000212008_100015525214 [0,1,0,1,0,0|2,0,0]=4 8745 B9R1.75 CCNC(=O)NC1CC1 2708a_100015525214_100000212008 [0,1,0,1,0,0|2,0,0]=4 8746 B9R1.75 CCNC(=O)NC1CC1 273464a_100000212008_100015525214 [0,1,0,1,0,0|2,0,0]=4 8747 B9R1.75 CCNC(=O)NC1CC1 273464a_100015525214_100000212008 [0,1,0,1,0,0|2,0,0]=4 8748 B9R1.75 CCNC(=O)NC1CC1 512a_100000212008_100015525214 [0,1,0,1,0,0|2,0,0]=4 8749 B9R1.75 CNCC(=O)NC1CC1 2230a_100000702991_200000210301 [0,1,0,1,0,0|2,0,0]=4 8750 B9R1.75 CNCC(=O)NC1CC1 2230a_106832991635_100000182950 [0,1,0,1,0,0|2,0,0]=4 8751 B9R1.75 CNCC(=O)NC1CC1 34a_100102657272_100000182950 [0,1,0,1,0,0|2,0,0]=4 8752 B9R1.75 CNCC(=O)NC1CC1 7a_106832991635_100000182950 [0,1,0,1,0,0|2,0,0]=4 8753 B9R1.75 CNNC(=O)CC1CC1 22a_100016993582_100000738066 [0,1,0,1,0,0|1,0,0]=3 8754 B9R1.75 CNNC(=O)NC1CC1 273464a_100000212008_100016993582 [0,1,0,1,0,0|2,0,0]=4 8755 B9R1.75 CNNC(=O)NC1CC1 512a_100000212008_100016993582 [0,1,0,1,0,0|2,0,0]=4 8756 B9R1.75 COCC(=O)CC1CC1 1458a_100000210968_100000742324 [0,1,0,1,0,0|0,0,0]=2 8757 B9R1.75 COCC(=O)CC1CO1 1458a_100000210968_100011216344 [0,1,0,1,0,0|1,0,0]=3 8758 B9R1.75 COCC(=O)CC1CS1 1458a_100000210968_100000031435 [0,1,0,1,0,0|1,0,0]=3 8759 B9R1.75 COCC(=O)C[C@@H]1CO1 1458a_100000210968_100000745022 [0,1,0,1,0,0|1,0,0]=3 8760 B9R1.75 COCC(=O)NC1CC1 1626a_100000212008_100000210968 [0,1,0,1,0,0|1,0,0]=3 8761 B9R1.75 COCC(=O)NC1CC1 240690a_100000212008_100000210968 [0,1,0,1,0,0|1,0,0]=3 8762 B9R1.75 COCC(=O)NC1CC1 34a_100138415774_100000182950 [0,1,0,1,0,0|1,0,0]=3 8763 B9R1.75 COCC(=O)NC1CC1 527a_100000212008_100000210968 [0,1,0,1,0,0|1,0,0]=3 8764 B9R1.75 COCN(C)CC1CC1 2230a_100000741881_100000766300 [0,1,0,1,0,0|2,0,0]=4 8765 B9R1.75 COCN(C)CC1CC1 269982a_100000741881_100000766300 [0,1,0,1,0,0|2,0,0]=4 8766 B9R1.75 CSCC(=O)CC1CC1 1458a_100000184570_100000742324 [0,1,0,1,0,0|0,1,0]=3 8767 B9R1.75 CSCC(=O)CC1CO1 1458a_100000184570_100011216344 [0,1,0,1,0,0|1,1,0]=4 8768 B9R1.75 CSCC(=O)CC1CS1 1458a_100000184570_100000031435 [0,1,0,1,0,0|1,1,0]=4 8769 B9R1.75 CSCC(=O)C[C@@H]1CO1 1458a_100000184570_100000745022 [0,1,0,1,0,0|1,1,0]=4 8770 B9R1.75 CSCC(=O)NC1CC1 1626a_100000212008_100000184570 [0,1,0,1,0,0|1,1,0]=4 8771 B9R1.75 CSCC(=O)NC1CC1 240690a_100000212008_100000184570 [0,1,0,1,0,0|1,1,0]=4 8772 B9R1.75 CSCC(=O)NC1CC1 527a_100000212008_100000184570 [0,1,0,1,0,0|1,1,0]=4 8773 B9R1.75 CSCC(=O)NC1CC1 62a_100000182950_200000210301 [0,1,0,1,0,0|1,1,0]=4 8774 B9R1.75 CSCC(=O)NC1CC1 62a_200000210301_100000182950 [0,1,0,1,0,0|1,1,0]=4 8775 B9R1.75 N#CCC(=O)CC1CC1 1458a_100000738066_100011214920 [0,1,0,1,0,0|1,0,1]=4 8776 B9R1.75 N#CCC(=O)CC1CC1 1458a_100051588842_100000742324 [0,1,0,1,0,0|1,0,1]=4 8777 B9R1.75 O=C(C=CBr)CC1CC1 1458a_100016273825_100000742324 [0,1,0,1,0,0|1,0,1]=4 8778 B9R1.75 O=C(C=CCl)CC1CC1 1458a_200016279998_100000742324 [0,1,0,1,0,0|1,0,1]=4 8779 B9R1.75 O=C(C=CI)CC1CC1 1458a_100016256311_100000742324 [0,1,0,1,0,0|1,0,1]=4 8780 B9R1.75 O=C(CCF)CC1CC1 1458a_100000738066_100011217306 [0,1,0,1,0,0|1,0,0]=3 8781 B9R1.75 O=C(CCO)CC1CC1 1458a_100000738066_100000211926 [0,1,0,1,0,0|1,0,0]=3 8782 B9R1.75 O=C(CCO)CC1CC1 1458a_100011216618_100000742324 [0,1,0,1,0,0|1,0,0]=3 8783 B9R1.75 O=C(CCO)CC1CO1 1458a_100011216618_100011216344 [0,1,0,1,0,0|2,0,0]=4 8784 B9R1.75 O=C(CCO)CC1CS1 1458a_100011216618_100000031435 [0,1,0,1,0,0|2,0,0]=4 8785 B9R1.75 O=C(CCO)C[C@@H]1CO1 1458a_100011216618_100000745022 [0,1,0,1,0,0|2,0,0]=4 8786 B9R1.75 O=C(CCO)NC1CC1 240690a_100000212008_100011216618 [0,1,0,1,0,0|2,0,0]=4 8787 B9R1.75 [13CH3]NCC(=O)NC1CC1 2230a_100000702991_200025704644 [0,1,0,1,0,0|2,0,0]=4 8788 B9R1.75 [13CH3]SCC(=O)NC1CC1 62a_100000182950_200025704644 [0,1,0,1,0,0|1,1,0]=4 8789 B9R1.75 [13CH3]SCC(=O)NC1CC1 62a_200025704644_100000182950 [0,1,0,1,0,0|1,1,0]=4 8790 B9R1.100 C#CCCC(=O)C1CO1 1458a_100000701028_100000753159 [0,1,0,1,0,0|0,0,2]=4 8791 B9R1.100 C/C=C/CC(=O)C1CO1 1458a_100000701028_100102629194 [0,1,0,1,0,0|0,0,2]=4 8792 B9R1.100 C=CCCC(=O)C1CO1 1458a_100000701028_100000754431 [0,1,0,1,0,0|0,0,2]=4 8793 B9R1.100 CC#CCC(=O)C1CO1 1458a_100000701028_100000748600 [0,1,0,1,0,0|0,0,2]=4 8794 B9R1.100 CC=CCC(=O)C1CO1 1458a_100000701028_100000070051 [0,1,0,1,0,0|0,0,2]=4 8795 B9R1.100 CCCCC(=O)C1CC1 1458a_100000210395_100000210211 [0,1,0,1,0,0|1,0,0]=3 8796 B9R1.100 CCCCC(=O)C1CO1 1458a_100000701028_100000210211 [0,1,0,1,0,0|0,0,0]=2 8797 B9R1.100 CCCNC(=O)C1CC1 11a_100020643023_100000210395 [0,1,0,1,0,0|2,0,0]=4 8798 B9R1.100 CCCNC(=O)C1CC1 1626a_100020643023_100000210395 [0,1,0,1,0,0|2,0,0]=4 8799 B9R1.100 CCCNC(=O)C1CC1 240690a_100020643023_100000210395 [0,1,0,1,0,0|2,0,0]=4 8800 B9R1.100 CCCNC(=O)C1CC1 527a_100020643023_100000210395 [0,1,0,1,0,0|2,0,0]=4 8801 B9R1.100 CCCNC(=O)C1CO1 11a_100020643023_100000701028 [0,1,0,1,0,0|1,0,0]=3 8802 B9R1.100 CCCNC(=O)C1CO1 1626a_100020643023_100000701028 [0,1,0,1,0,0|1,0,0]=3 8803 B9R1.100 CCCNC(=O)C1CO1 240690a_100020643023_100000701028 [0,1,0,1,0,0|1,0,0]=3 8804 B9R1.100 CCCNC(=O)C1CO1 527a_100020643023_100000701028 [0,1,0,1,0,0|1,0,0]=3 8805 B9R1.100 CCNCC(=O)C1CC1 2230a_100015525214_100000746382 [0,1,0,1,0,0|2,0,0]=4 8806 B9R1.100 CCNNC(=O)C1CO1 22a_100000756455_100000701028 [0,1,0,1,0,0|2,0,0]=4 8807 B9R1.100 CCOCC(=O)C1CC1 34a_100000686663_100000210202 [0,1,0,1,0,0|2,0,0]=4 8808 B9R1.100 CCOCC(=O)C1CC1 34a_100121572206_100000746382 [0,1,0,1,0,0|2,0,0]=4 8809 B9R1.100 CCSCC(=O)C1CC1 62a_100000210202_100000746382 [0,1,0,1,0,0|2,0,0]=4 8810 B9R1.100 CCSCC(=O)C1CC1 62a_100000746382_100000210202 [0,1,0,1,0,0|2,0,0]=4 8811 B9R1.100 COCCC(=O)C1CC1 1458a_100000210395_100000233755 [0,1,0,1,0,0|2,0,0]=4 8812 B9R1.100 COCCC(=O)C1CO1 1458a_100000701028_100000233755 [0,1,0,1,0,0|1,0,0]=3 8813 B9R1.100 CSCCC(=O)C1CC1 1458a_100000210395_100000751147 [0,1,0,1,0,0|2,0,0]=4 8814 B9R1.100 CSCCC(=O)C1CO1 1458a_100000701028_100000751147 [0,1,0,1,0,0|1,0,0]=3 8815 B9R1.100 N#CCCC(=O)C1CO1 1458a_100000701028_100011215226 [0,1,0,1,0,0|1,0,1]=4 8816 B9R1.100 O=C(CCCF)C1CC1 1458a_100000210395_100011934791 [0,1,0,1,0,0|2,0,0]=4 8817 B9R1.100 O=C(CCCF)C1CO1 1458a_100000701028_100011934791 [0,1,0,1,0,0|1,0,0]=3 8818 B9R1.100 O=C(CCCO)C1CC1 1458a_100000210395_100011215043 [0,1,0,1,0,0|2,0,0]=4 8819 B9R1.100 O=C(CCCO)C1CO1 1458a_100000701028_100011215043 [0,1,0,1,0,0|1,0,0]=3 8820 B9R1.100 O=C(NCCF)C1CO1 11a_100000724931_100000701028 [0,1,0,1,0,0|2,0,0]=4 8821 B9R1.100 O=C(NCCF)C1CO1 1626a_100000724931_100000701028 [0,1,0,1,0,0|2,0,0]=4 8822 B9R1.100 O=C(NCCF)C1CO1 240690a_100000724931_100000701028 [0,1,0,1,0,0|2,0,0]=4 8823 B9R1.100 O=C(NCCF)C1CO1 527a_100000724931_100000701028 [0,1,0,1,0,0|2,0,0]=4 8824 B9R1.100 O=C(NCCO)C1CO1 240690a_100000210304_100000701028 [0,1,0,1,0,0|2,0,0]=4 8825 B9R1.100 O=C(NCCO)C1CO1 527a_100000210304_100000701028 [0,1,0,1,0,0|2,0,0]=4 8826 B9R1.134 CC1(CCCC1)OCF 34a_100000751722_100015361967 [0,1,0,1,0,0|1,0,1]=4 8827 B9R1.134 CC1(CCCC1)OCF 7a_100000751722_100015361967 [0,1,0,1,0,0|1,0,1]=4 8828 B9R1.134 CCOC1(CCCC1)C 34a_100000751722_100000210202 [0,1,0,1,0,0|1,0,1]=4 8829 B9R1.134 CCOC1(CCCC1)C 7a_100000751722_100000210202 [0,1,0,1,0,0|1,0,1]=4 8830 B9R1.134 COCC1(CCCC1)N 34a_100000749328_200000210301 [0,1,0,1,0,0|1,0,1]=4 8831 B9R1.134 [13CH3]OCC1(CCCC1)N 34a_100000749328_200025704644 [0,1,0,1,0,0|1,0,1]=4 8832 B9R1.183 C#CCC(=O)C1CC1C 1458a_100000211227_100000184674 [0,1,0,1,0,0|1,0,1]=4 8833 B9R1.183 C=CCC(=O)C1CC1C 1458a_100000211227_100000210623 [0,1,0,1,0,0|1,0,1]=4 8834 B9R1.183 CC1CC1C(=O)CC#N 1458a_100000211227_100011214920 [0,1,0,1,0,0|1,0,1]=4 8835 B9R1.183 CC1CC1C(=O)CCF 1458a_100000211227_100011217306 [0,1,0,1,0,0|1,0,0]=3 8836 B9R1.183 CC1CC1C(=O)CCO 1458a_100000211227_100000211926 [0,1,0,1,0,0|1,0,0]=3 8837 B9R1.183 CCCC(=O)C1CC1C 1458a_100000211227_100000210303 [0,1,0,1,0,0|1,0,0]=3 8838 B9R1.183 CCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210303 [0,1,0,1,0,0|2,0,0]=4 8839 B9R1.183 CCNC(=O)C1CC1C 11a_100015525214_100000211227 [0,1,0,1,0,0|1,0,0]=3 8840 B9R1.183 CCNC(=O)C1CC1C 527a_100015525214_100000211227 [0,1,0,1,0,0|1,0,0]=3 8841 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 11a_100015525214_100015396687 [0,1,0,1,0,0|2,0,0]=4 8842 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 240690a_100015525214_100015396687 [0,1,0,1,0,0|2,0,0]=4 8843 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 527a_100015525214_100015396687 [0,1,0,1,0,0|2,0,0]=4 8844 B9R1.183 CNNC(=O)C1CC1C 22a_100016993582_100000211227 [0,1,0,1,0,0|1,0,0]=3 8845 B9R1.183 CNNC(=O)[C@@H]1C[C@@H]1F 22a_100016993582_100015396687 [0,1,0,1,0,0|2,0,0]=4 8846 B9R1.183 O=C(CCF)[C@@H]1C[C@@H]1F 1458a_100015396687_100011217306 [0,1,0,1,0,0|2,0,0]=4 8847 B9R1.183 O=C(CCO)[C@@H]1C[C@@H]1F 1458a_100015396687_100000211926 [0,1,0,1,0,0|2,0,0]=4 8848 B9R1.3 CC1C(=O)NCCN1C 2230a_100000750721_200000210301 [0,1,0,1,0,0|2,0,0]=4 8849 B9R1.3 CC1C(=O)NCCN1C 269982a_100000750721_200000210301 [0,1,0,1,0,0|2,0,0]=4 8850 B9R1.3 CC1C(=O)NCCN1C 34a_100000750721_200000210301 [0,1,0,1,0,0|2,0,0]=4 8851 B9R1.3 CC1C(=O)NCCN1[13CH3] 2230a_100000750721_200025704644 [0,1,0,1,0,0|2,0,0]=4 8852 B9R1.3 CC1C(=O)NCCN1[13CH3] 269982a_100000750721_200025704644 [0,1,0,1,0,0|2,0,0]=4 8853 B9R1.3 CC1C(=O)NCCN1[13CH3] 34a_100000750721_200025704644 [0,1,0,1,0,0|2,0,0]=4 8854 B9R1.11 C#CC(=O)C1CCCC1 1458a_100000211873_100000179811 [0,1,0,1,0,0|1,0,1]=4 8855 B9R1.11 C#CC(=O)C1CCOC1 1458a_100000211873_100000690089 [0,1,0,1,0,0|1,0,1]=4 8856 B9R1.11 C=CC(=O)C1CCCC1 1458a_100000185746_100000179811 [0,1,0,1,0,0|1,0,1]=4 8857 B9R1.11 C=CC(=O)C1CCOC1 1458a_100000185746_100000690089 [0,1,0,1,0,0|1,0,1]=4 8858 B9R1.11 C=CC(=O)N1CCCC1 240690a_100000188435_200121576911 [0,1,0,1,0,0|1,0,1]=4 8859 B9R1.11 CC(O[13CH3])C1CCCC1 34a_100011216366_200025704644 [0,1,0,1,0,0|1,0,1]=4 8860 B9R1.11 CC(O[13CH3])C1CCCC1 7a_100011216366_200025704644 [0,1,0,1,0,0|1,0,1]=4 8861 B9R1.11 CCC(=O)C1=CCCC1 1458a_100000038896_100000210202 [0,1,0,1,0,0|1,0,1]=4 8862 B9R1.11 CCC(=O)C1CC=CC1 1458a_100000759439_100000210202 [0,1,0,1,0,0|1,0,1]=4 8863 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210414_100000179811 [0,1,0,1,0,0|1,0,0]=3 8864 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210718_100000210202 [0,1,0,1,0,0|1,0,0]=3 8865 B9R1.11 CCC(=O)C1CCCS1 1458a_100012002731_100000210202 [0,1,0,1,0,0|1,0,0]=3 8866 B9R1.11 CCC(=O)C1CCOC1 1458a_100000210414_100000690089 [0,1,0,1,0,0|1,0,0]=3 8867 B9R1.11 CCC(=O)C1CCOC1 1458a_100011219752_100000210202 [0,1,0,1,0,0|1,0,0]=3 8868 B9R1.11 CCC(=O)N1CCCC1 240690a_100000188435_100000210414 [0,1,0,1,0,0|1,0,0]=3 8869 B9R1.11 CCC(=O)N1CCCC1 527a_100000188435_100000210414 [0,1,0,1,0,0|1,0,0]=3 8870 B9R1.11 CCC(=O)N1CCSC1 11a_100011215254_100000210414 [0,1,0,1,0,0|2,0,0]=4 8871 B9R1.11 CCC(=O)N1CCSC1 240690a_100011215254_100000210414 [0,1,0,1,0,0|2,0,0]=4 8872 B9R1.11 CCC(=O)N1CCSC1 527a_100011215254_100000210414 [0,1,0,1,0,0|2,0,0]=4 8873 B9R1.11 CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210202 [0,1,0,1,0,0|1,0,0]=3 8874 B9R1.11 CNC(=O)C1=CCCC1 11a_106832991635_100000038896 [0,1,0,1,0,0|1,0,1]=4 8875 B9R1.11 CNC(=O)C1=CCCC1 1626a_100102657272_100000038896 [0,1,0,1,0,0|1,0,1]=4 8876 B9R1.11 CNC(=O)C1=CCCC1 240690a_100102657272_100000038896 [0,1,0,1,0,0|1,0,1]=4 8877 B9R1.11 CNC(=O)C1CC=CC1 11a_106832991635_100000759439 [0,1,0,1,0,0|1,0,1]=4 8878 B9R1.11 CNC(=O)C1CC=CC1 1626a_100102657272_100000759439 [0,1,0,1,0,0|1,0,1]=4 8879 B9R1.11 CNC(=O)C1CC=CC1 240690a_100102657272_100000759439 [0,1,0,1,0,0|1,0,1]=4 8880 B9R1.11 CNC(=O)C1CC=CC1 527a_100102657272_100000759439 [0,1,0,1,0,0|1,0,1]=4 8881 B9R1.11 CNC(=O)C1CCCC1 11a_106832991635_100000210718 [0,1,0,1,0,0|1,0,0]=3 8882 B9R1.11 CNC(=O)C1CCCC1 1626a_100102657272_100000210718 [0,1,0,1,0,0|1,0,0]=3 8883 B9R1.11 CNC(=O)C1CCCC1 240690a_100102657272_100000210718 [0,1,0,1,0,0|1,0,0]=3 8884 B9R1.11 CNC(=O)C1CCCC1 527a_100102657272_100000210718 [0,1,0,1,0,0|1,0,0]=3 8885 B9R1.11 CNC(=O)C1CCCS1 11a_106832991635_100012002731 [0,1,0,1,0,0|1,0,0]=3 8886 B9R1.11 CNC(=O)C1CCCS1 1626a_100102657272_100012002731 [0,1,0,1,0,0|1,0,0]=3 8887 B9R1.11 CNC(=O)C1CCCS1 240690a_100102657272_100012002731 [0,1,0,1,0,0|1,0,0]=3 8888 B9R1.11 CNC(=O)C1CCCS1 527a_100102657272_100012002731 [0,1,0,1,0,0|1,0,0]=3 8889 B9R1.11 CNC(=O)C1CCOC1 11a_106832991635_100011219752 [0,1,0,1,0,0|1,0,0]=3 8890 B9R1.11 CNC(=O)C1CCOC1 1626a_100102657272_100011219752 [0,1,0,1,0,0|1,0,0]=3 8891 B9R1.11 CNC(=O)C1CCOC1 240690a_100102657272_100011219752 [0,1,0,1,0,0|1,0,0]=3 8892 B9R1.11 CNC(=O)C1CCOC1 527a_100102657272_100011219752 [0,1,0,1,0,0|1,0,0]=3 8893 B9R1.11 CNC(=O)N1CCCC1 2708a_100102657272_100000188435 [0,1,0,1,0,0|1,0,0]=3 8894 B9R1.11 CNC(=O)N1CCCC1 273464a_100102657272_100000188435 [0,1,0,1,0,0|1,0,0]=3 8895 B9R1.11 CNC(=O)N1CCSC1 2708a_100102657272_100011215254 [0,1,0,1,0,0|2,0,0]=4 8896 B9R1.11 CNC(=O)N1CCSC1 273464a_100102657272_100011215254 [0,1,0,1,0,0|2,0,0]=4 8897 B9R1.11 CNC(=O)[C@@H]1CCCO1 11a_106832991635_100000686382 [0,1,0,1,0,0|1,0,0]=3 8898 B9R1.11 CNC(=O)[C@@H]1CCCO1 1626a_100102657272_100000686382 [0,1,0,1,0,0|1,0,0]=3 8899 B9R1.11 CNC(=O)[C@@H]1CCCO1 240690a_100102657272_100000686382 [0,1,0,1,0,0|1,0,0]=3 8900 B9R1.11 CNC(=O)[C@@H]1CCCO1 527a_100102657272_100000686382 [0,1,0,1,0,0|1,0,0]=3 8901 B9R1.11 COC(C)C1CCCC1 34a_100011216366_200000210301 [0,1,0,1,0,0|1,0,1]=4 8902 B9R1.11 COC(C)C1CCCC1 7a_100011216366_200000210301 [0,1,0,1,0,0|1,0,1]=4 8903 B9R1.11 COC(C)N1CCCC1 269982a_100000188435_100009879195 [0,1,0,1,0,0|1,0,1]=4 8904 B9R1.11 O=C(CF)C1CCCC1 1458a_100000210718_100015361967 [0,1,0,1,0,0|2,0,0]=4 8905 B9R1.11 O=C(CF)C1CCCS1 1458a_100012002731_100015361967 [0,1,0,1,0,0|2,0,0]=4 8906 B9R1.11 O=C(CF)C1CCOC1 1458a_100011219752_100015361967 [0,1,0,1,0,0|2,0,0]=4 8907 B9R1.11 O=C(CF)[C@@H]1CCCO1 1458a_100000686382_100015361967 [0,1,0,1,0,0|2,0,0]=4 8908 B9R1.11 O=C(CO)C1CCCC1 1458a_100000210174_100000179811 [0,1,0,1,0,0|2,0,0]=4 8909 B9R1.11 O=C(CO)C1CCOC1 1458a_100000210174_100000690089 [0,1,0,1,0,0|2,0,0]=4 8910 B9R1.11 O=C(CO)N1CCCC1 240690a_100000188435_100000210174 [0,1,0,1,0,0|2,0,0]=4 8911 B9R1.11 O=C(CO)N1CCCC1 527a_100000188435_100000210174 [0,1,0,1,0,0|2,0,0]=4 8912 B9R1.82 C=C1CC(C1)C(=O)CC 1458a_100000065620_100000210202 [0,1,0,1,0,0|1,0,1]=4 8913 B9R1.82 C=C1CC(C1)C(=O)NC 11a_106832991635_100000065620 [0,1,0,1,0,0|1,0,1]=4 8914 B9R1.82 C=C1CC(C1)C(=O)NC 1626a_100102657272_100000065620 [0,1,0,1,0,0|1,0,1]=4 8915 B9R1.82 C=C1CC(C1)C(=O)NC 240690a_100102657272_100000065620 [0,1,0,1,0,0|1,0,1]=4 8916 B9R1.82 C=C1CC(C1)C(=O)NC 527a_100102657272_100000065620 [0,1,0,1,0,0|1,0,1]=4 8917 B9R1.82 CC1CC(C1)C(=O)CF 1458a_100000686124_100015361967 [0,1,0,1,0,0|2,0,0]=4 8918 B9R1.82 CCC(=O)C1CC(C1)C 1458a_100000686124_100000210202 [0,1,0,1,0,0|1,0,0]=3 8919 B9R1.82 CCC(=O)C1CC(C1)F 1458a_100000062598_100000210202 [0,1,0,1,0,0|1,0,0]=3 8920 B9R1.82 CCC(=O)C1CN(C1)C 1458a_100012002723_100000210202 [0,1,0,1,0,0|2,0,0]=4 8921 B9R1.82 CCC(=O)N1CC(C1)C 11a_100000702820_100000210414 [0,1,0,1,0,0|2,0,0]=4 8922 B9R1.82 CCC(=O)N1CC(C1)C 240690a_100000702820_100000210414 [0,1,0,1,0,0|2,0,0]=4 8923 B9R1.82 CCC(=O)N1CC(C1)C 527a_100000702820_100000210414 [0,1,0,1,0,0|2,0,0]=4 8924 B9R1.82 CCC(=O)N1CC(C1)F 11a_100000690557_100000210414 [0,1,0,1,0,0|2,0,0]=4 8925 B9R1.82 CCC(=O)N1CC(C1)F 240690a_100000690557_100000210414 [0,1,0,1,0,0|2,0,0]=4 8926 B9R1.82 CCC(=O)N1CC(C1)F 527a_100000690557_100000210414 [0,1,0,1,0,0|2,0,0]=4 8927 B9R1.82 CCC(=O)N1CC(C1)O 11a_100000749847_100000210414 [0,1,0,1,0,0|2,0,0]=4 8928 B9R1.82 CCC(=O)N1CC(C1)O 240690a_100000749847_100000210414 [0,1,0,1,0,0|2,0,0]=4 8929 B9R1.82 CCC(=O)N1CC(C1)O 527a_100000749847_100000210414 [0,1,0,1,0,0|2,0,0]=4 8930 B9R1.82 CCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210202 [0,1,0,1,0,0|1,0,0]=3 8931 B9R1.82 CNC(=O)C1CC(C1)C 11a_106832991635_100000686124 [0,1,0,1,0,0|1,0,0]=3 8932 B9R1.82 CNC(=O)C1CC(C1)C 1626a_100102657272_100000686124 [0,1,0,1,0,0|1,0,0]=3 8933 B9R1.82 CNC(=O)C1CC(C1)C 240690a_100102657272_100000686124 [0,1,0,1,0,0|1,0,0]=3 8934 B9R1.82 CNC(=O)C1CC(C1)C 527a_100102657272_100000686124 [0,1,0,1,0,0|1,0,0]=3 8935 B9R1.82 CNC(=O)C1CC(C1)F 11a_106832991635_100000062598 [0,1,0,1,0,0|1,0,0]=3 8936 B9R1.82 CNC(=O)C1CC(C1)F 1626a_100102657272_100000062598 [0,1,0,1,0,0|1,0,0]=3 8937 B9R1.82 CNC(=O)C1CC(C1)F 240690a_100102657272_100000062598 [0,1,0,1,0,0|1,0,0]=3 8938 B9R1.82 CNC(=O)C1CC(C1)F 527a_100102657272_100000062598 [0,1,0,1,0,0|1,0,0]=3 8939 B9R1.82 CNC(=O)C1CN(C1)C 240690a_100102657272_100012002723 [0,1,0,1,0,0|2,0,0]=4 8940 B9R1.82 CNC(=O)C1CN(C1)C 34a_100000703363_200000210301 [0,1,0,1,0,0|2,0,0]=4 8941 B9R1.82 CNC(=O)C1CN(C1)[13CH3] 34a_100000703363_200025704644 [0,1,0,1,0,0|2,0,0]=4 8942 B9R1.82 CNC(=O)N1CC(C1)C 2708a_100102657272_100000702820 [0,1,0,1,0,0|2,0,0]=4 8943 B9R1.82 CNC(=O)N1CC(C1)C 273464a_100102657272_100000702820 [0,1,0,1,0,0|2,0,0]=4 8944 B9R1.82 CNC(=O)N1CC(C1)F 2708a_100102657272_100000690557 [0,1,0,1,0,0|2,0,0]=4 8945 B9R1.82 CNC(=O)N1CC(C1)F 273464a_100102657272_100000690557 [0,1,0,1,0,0|2,0,0]=4 8946 B9R1.82 CNC(=O)N1CC(C1)O 2708a_100102657272_100000749847 [0,1,0,1,0,0|2,0,0]=4 8947 B9R1.82 CNC(=O)N1CC(C1)O 273464a_100102657272_100000749847 [0,1,0,1,0,0|2,0,0]=4 8948 B9R1.82 CNC(=O)[C@H]1C[C@H](C1)O 240690a_100102657272_100015266633 [0,1,0,1,0,0|1,0,0]=3 8949 B9R1.82 CNC(=O)[C@H]1C[C@H](C1)O 527a_100102657272_100015266633 [0,1,0,1,0,0|1,0,0]=3 8950 B9R1.82 COC(=O)C1CN(C1)C 269982a_100015188540_200000210301 [0,1,0,1,0,0|1,0,0]=3 8951 B9R1.82 COC(=O)C1CN(C1)[13CH3] 269982a_100015188540_200025704644 [0,1,0,1,0,0|1,0,0]=3 8952 B9R1.82 O=C(CF)C1CC(C1)F 1458a_100000062598_100015361967 [0,1,0,1,0,0|2,0,0]=4 8953 B9R1.82 O=C(CF)[C@H]1C[C@H](C1)O 1458a_100015266633_100015361967 [0,1,0,1,0,0|2,0,0]=4 8954 B9R1.88 CCC(=O)C1CC1CC 1458a_200011661523_100000210202 [0,1,0,1,0,0|1,0,0]=3 8955 B9R1.88 CCC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_100000210202 [0,1,0,1,0,0|1,0,1]=4 8956 B9R1.88 CCC1CC1C(=O)CF 1458a_200011661523_100015361967 [0,1,0,1,0,0|2,0,0]=4 8957 B9R1.88 CCC1CC1C(=O)NC 11a_106832991635_200011661523 [0,1,0,1,0,0|1,0,0]=3 8958 B9R1.88 CCC1CC1C(=O)NC 1626a_100102657272_200011661523 [0,1,0,1,0,0|1,0,0]=3 8959 B9R1.88 CCC1CC1C(=O)NC 240690a_100102657272_200011661523 [0,1,0,1,0,0|1,0,0]=3 8960 B9R1.88 CCC1CC1C(=O)NC 527a_100102657272_200011661523 [0,1,0,1,0,0|1,0,0]=3 8961 B9R1.88 CCN1CC1C(=O)OC 2230a_200009830135_100000210202 [0,1,0,1,0,0|0,0,0]=2 8962 B9R1.88 CNC(=O)[C@@H]1C[C@H]1C#N 11a_106832991635_100015294237 [0,1,0,1,0,0|1,0,1]=4 8963 B9R1.88 CNC(=O)[C@@H]1C[C@H]1C#N 1626a_100102657272_100015294237 [0,1,0,1,0,0|1,0,1]=4 8964 B9R1.88 CNC(=O)[C@@H]1C[C@H]1C#N 240690a_100102657272_100015294237 [0,1,0,1,0,0|1,0,1]=4 8965 B9R1.101 CCC(=O)N(C)C1CC1 11a_100000226674_100000210414 [0,1,0,1,0,0|2,0,0]=4 8966 B9R1.101 CCC(=O)N(C)C1CC1 1626a_100000226674_100000210414 [0,1,0,1,0,0|2,0,0]=4 8967 B9R1.101 CCC(=O)N(C)C1CC1 240690a_100000226674_100000210414 [0,1,0,1,0,0|2,0,0]=4 8968 B9R1.101 CCC(=O)N(C)C1CC1 527a_100000226674_100000210414 [0,1,0,1,0,0|2,0,0]=4 8969 B9R1.101 CNC(=O)N(C)C1CC1 2708a_100102657272_100000226674 [0,1,0,1,0,0|2,0,0]=4 8970 B9R1.101 CNC(=O)N(C)C1CC1 273464a_100102657272_100000226674 [0,1,0,1,0,0|2,0,0]=4 8971 B9R1.132 COC1CCN(C1=O)C 34a_100138415774_100000755940 [0,1,0,1,0,0|1,0,1]=4 8972 B9R1.186 CC1(CCC1)C(=O)CF 1458a_100000684636_100015361967 [0,1,0,1,0,0|2,0,0]=4 8973 B9R1.186 CCC(=O)C1(CCC1)C 1458a_100000684636_100000210202 [0,1,0,1,0,0|1,0,0]=3 8974 B9R1.186 CCC(=O)C1(CCC1)O 1458a_100000242746_100000210202 [0,1,0,1,0,0|1,0,0]=3 8975 B9R1.186 CCC(=O)C1(COC1)C 1458a_100000094709_100000210202 [0,1,0,1,0,0|2,0,0]=4 8976 B9R1.186 CCC(=O)C1(COC1)O 1458a_100010273515_100000210202 [0,1,0,1,0,0|2,0,0]=4 8977 B9R1.186 CNC(=O)C1(CCC1)C 11a_106832991635_100000684636 [0,1,0,1,0,0|1,0,0]=3 8978 B9R1.186 CNC(=O)C1(CCC1)C 1626a_100102657272_100000684636 [0,1,0,1,0,0|1,0,0]=3 8979 B9R1.186 CNC(=O)C1(CCC1)C 240690a_100102657272_100000684636 [0,1,0,1,0,0|1,0,0]=3 8980 B9R1.186 CNC(=O)C1(CCC1)C 527a_100102657272_100000684636 [0,1,0,1,0,0|1,0,0]=3 8981 B9R1.186 CNC(=O)C1(CCC1)O 240690a_100102657272_100000242746 [0,1,0,1,0,0|1,0,0]=3 8982 B9R1.186 CNC(=O)C1(COC1)C 11a_106832991635_100000094709 [0,1,0,1,0,0|2,0,0]=4 8983 B9R1.186 CNC(=O)C1(COC1)C 1626a_100102657272_100000094709 [0,1,0,1,0,0|2,0,0]=4 8984 B9R1.186 CNC(=O)C1(COC1)C 527a_100102657272_100000094709 [0,1,0,1,0,0|2,0,0]=4 8985 B9R1.186 CNC(=O)C1(COC1)O 240690a_100102657272_100010273515 [0,1,0,1,0,0|2,0,0]=4 8986 B9R1.186 O=C(CF)C1(CCC1)O 1458a_100000242746_100015361967 [0,1,0,1,0,0|2,0,0]=4 8987 B9R1.202 CO[C@@]1(CCC[C@H]1N)C 34a_100015977457_200000210301 [0,1,0,1,0,0|1,0,1]=4 8988 B9R1.202 C[C@]1(CCC[C@H]1N)O[13CH3] 34a_100015977457_200025704644 [0,1,0,1,0,0|1,0,1]=4 8989 B9R1.1 C=C1CCC(CC1)NC 270004a_106832991635_100010272673 [0,1,0,1,0,0|2,0,0]=4 8990 B9R1.1 C=C1CCN(CC1)CC 2230a_100000752442_100000210202 [0,1,0,1,0,0|2,0,0]=4 8991 B9R1.1 C=C1CCN(CC1)CC 269982a_100000752442_100000204670 [0,1,0,1,0,0|2,0,0]=4 8992 B9R1.1 C=C1CCN(CC1)CC 34a_100000752442_100000210202 [0,1,0,1,0,0|2,0,0]=4 8993 B9R1.1 CC1CCC(CC1)O[13CH3] 34a_100000210714_200025704644 [0,1,0,1,0,0|1,0,1]=4 8994 B9R1.1 CC1CCC(CC1)O[13CH3] 7a_100000210714_200025704644 [0,1,0,1,0,0|1,0,1]=4 8995 B9R1.1 CCN1CC=C(CC1)C 2230a_100000693516_100000210202 [0,1,0,1,0,0|2,0,0]=4 8996 B9R1.1 CCN1CC=C(CC1)C 269982a_100000693516_100000204670 [0,1,0,1,0,0|2,0,0]=4 8997 B9R1.1 CCN1CC=C(CC1)C 34a_100000693516_100000210202 [0,1,0,1,0,0|2,0,0]=4 8998 B9R1.1 CCN1CCS(=O)CC1 2230a_100000752083_100000210202 [0,1,0,1,0,0|2,0,0]=4 8999 B9R1.1 CCN1CCS(=O)CC1 269982a_100000752083_100000204670 [0,1,0,1,0,0|2,0,0]=4 9000 B9R1.1 CNC1CCC(=O)NC1 2230a_100000748762_200000210301 [0,1,0,1,0,0|1,0,0]=3 9001 B9R1.1 CNC1CCC(=O)NC1 34a_100000748762_200000210301 [0,1,0,1,0,0|1,0,0]=3 9002 B9R1.1 COC1CCC(=O)CC1 34a_100000764474_200000210301 [0,1,0,1,0,0|1,0,0]=3 9003 B9R1.1 COC1CCC(=O)CC1 7a_100000764474_200000210301 [0,1,0,1,0,0|1,0,0]=3 9004 B9R1.1 COC1CCC(=O)NC1 34a_100000079199_200000210301 [0,1,0,1,0,0|1,0,0]=3 9005 B9R1.1 COC1CCC(CC1)C 34a_100000210714_200000210301 [0,1,0,1,0,0|1,0,1]=4 9006 B9R1.1 COC1CCC(CC1)C 34a_100138415774_200011216234 [0,1,0,1,0,0|1,0,1]=4 9007 B9R1.1 COC1CCC(CC1)C 7a_100000210714_200000210301 [0,1,0,1,0,0|1,0,1]=4 9008 B9R1.1 COC1CNC(=O)NC1 34a_100000080929_200000210301 [0,1,0,1,0,0|2,0,0]=4 9009 B9R1.1 CO[C@H]1CC[C@H](CC1)N 34a_100020628982_200000210301 [0,1,0,1,0,0|1,0,1]=4 9010 B9R1.1 [13CH3]NC1CCC(=O)NC1 2230a_100000748762_200025704644 [0,1,0,1,0,0|1,0,0]=3 9011 B9R1.1 [13CH3]NC1CCC(=O)NC1 34a_100000748762_200025704644 [0,1,0,1,0,0|1,0,0]=3 9012 B9R1.1 [13CH3]OC1CCC(=O)CC1 34a_100000764474_200025704644 [0,1,0,1,0,0|1,0,0]=3 9013 B9R1.1 [13CH3]OC1CCC(=O)CC1 7a_100000764474_200025704644 [0,1,0,1,0,0|1,0,0]=3 9014 B9R1.1 [13CH3]OC1CCC(=O)NC1 34a_100000079199_200025704644 [0,1,0,1,0,0|1,0,0]=3 9015 B9R1.1 [13CH3]OC1CNC(=O)NC1 34a_100000080929_200025704644 [0,1,0,1,0,0|2,0,0]=4 9016 B9R1.1 [13CH3]O[C@H]1CC[C@H](CC1)N 34a_100020628982_200025704644 [0,1,0,1,0,0|1,0,1]=4 9017 B9R1.17 CCCNC[C@@H]1CCO1 2230a_100020831831_100000210303 [0,1,0,1,0,0|1,0,1]=4 9018 B9R1.17 CCCNC[C@@H]1CCO1 34a_100020831831_100000210303 [0,1,0,1,0,0|1,0,1]=4 9019 B9R1.17 CCCOCC1CCO1 34a_100000039022_100000210303 [0,1,0,1,0,0|1,0,1]=4 9020 B9R1.17 CCCOCC1CCO1 34a_100000210258_100000103362 [0,1,0,1,0,0|1,0,1]=4 9021 B9R1.17 CCCSCC1CCO1 62a_100000103362_100000210303 [0,1,0,1,0,0|1,0,1]=4 9022 B9R1.17 CCCSCC1CCO1 62a_100000210303_100000103362 [0,1,0,1,0,0|1,0,1]=4 9023 B9R1.21 CCN1CC[C@H](C1)OC 2230a_100000766984_100000210202 [0,1,0,1,0,0|1,0,1]=4 9024 B9R1.21 CCN1CC[C@H](C1)OC 269982a_100000766984_100000204670 [0,1,0,1,0,0|1,0,1]=4 9025 B9R1.39 CCCOC1CCC1=O 34a_100000210258_100009892977 [0,1,0,1,0,0|1,0,0]=3 9026 B9R1.39 CCCSC1CCC1=O 62a_100000210303_100009892977 [0,1,0,1,0,0|1,0,0]=3 9027 B9R1.39 CCCSC1CCC1=O 62a_100009892977_100000210303 [0,1,0,1,0,0|1,0,0]=3 9028 B9R1.39 CNCCC1CCC1=O 2230a_106832991635_200016118888 [0,1,0,1,0,0|1,0,0]=3 9029 B9R1.39 CNCCC1CCC1=O 7a_106832991635_200016118888 [0,1,0,1,0,0|1,0,0]=3 9030 B9R1.39 COCSC1CCC1=O 62a_100000766300_100009892977 [0,1,0,1,0,0|2,0,0]=4 9031 B9R1.39 COCSC1CCC1=O 62a_100009892977_100000766300 [0,1,0,1,0,0|2,0,0]=4 9032 B9R1.39 CSCCC1CCC1=O 62a_200000210301_200016118888 [0,1,0,1,0,0|1,0,0]=3 9033 B9R1.39 CSCCC1CCC1=O 62a_200016118888_200000210301 [0,1,0,1,0,0|1,0,0]=3 9034 B9R1.39 CSCSC1CCC1=O 62a_100009892977_100011218213 [0,1,0,1,0,0|2,0,0]=4 9035 B9R1.39 CSCSC1CCC1=O 62a_100011218213_100009892977 [0,1,0,1,0,0|2,0,0]=4 9036 B9R1.39 NCCOC1CCC1=O 34a_100000210304_100009892977 [0,1,0,1,0,0|2,0,0]=4 9037 B9R1.39 O=C1CCC1NCCF 34a_100000724931_100009892977 [0,1,0,1,0,0|2,0,0]=4 9038 B9R1.39 O=C1CCC1NCCO 34a_100016990907_100009892977 [0,1,0,1,0,0|2,0,0]=4 9039 B9R1.39 O=C1CCC1OCCBr 34a_100000211926_100009892977 [0,1,0,1,0,0|2,0,0]=4 9040 B9R1.39 O=C1CCC1SCCF 62a_100009892977_100011217306 [0,1,0,1,0,0|2,0,0]=4 9041 B9R1.39 O=C1CCC1SCCF 62a_100011217306_100009892977 [0,1,0,1,0,0|2,0,0]=4 9042 B9R1.39 O=C1CCC1SCCO 62a_100000211926_100009892977 [0,1,0,1,0,0|2,0,0]=4 9043 B9R1.39 O=C1CCC1SCCO 62a_100009892977_100000211926 [0,1,0,1,0,0|2,0,0]=4 9044 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200016118888_200025704644 [0,1,0,1,0,0|1,0,0]=3 9045 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200025704644_200016118888 [0,1,0,1,0,0|1,0,0]=3 9046 B9R1.78 CCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000210414 [0,1,0,1,0,0|2,0,0]=4 9047 B9R1.78 CCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000210414 [0,1,0,1,0,0|2,0,0]=4 9048 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000210414 [0,1,0,1,0,0|2,0,0]=4 9049 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000210414 [0,1,0,1,0,0|2,0,0]=4 9050 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000210414 [0,1,0,1,0,0|2,0,0]=4 9051 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000210414 [0,1,0,1,0,0|2,0,0]=4 9052 B9R1.78 CNC(=O)N[C@@H]1C[C@@H]1F 2708a_100102657272_100015190264 [0,1,0,1,0,0|2,0,0]=4 9053 B9R1.78 CNC(=O)N[C@@H]1C[C@@H]1F 273464a_100015190264_100102657272 [0,1,0,1,0,0|2,0,0]=4 9054 B9R1.78 CNC(=O)N[C@@H]1C[C@@H]1F 273464a_100102657272_100015190264 [0,1,0,1,0,0|2,0,0]=4 9055 B9R1.78 CNC(=O)N[C@@H]1C[C@@H]1F 512a_106832991638_100015190264 [0,1,0,1,0,0|2,0,0]=4 9056 B9R1.78 CNC(=O)N[C@@H]1C[C@H]1F 2708a_100102657272_100025746932 [0,1,0,1,0,0|2,0,0]=4 9057 B9R1.78 CNC(=O)N[C@@H]1C[C@H]1F 273464a_100102657272_100025746932 [0,1,0,1,0,0|2,0,0]=4 9058 B9R1.78 CNC(=O)N[C@@H]1C[C@H]1F 512a_100025746932_100102657272 [0,1,0,1,0,0|2,0,0]=4 9059 B9R1.78 CNC(=O)N[C@@H]1C[C@H]1F 512a_106832991638_100025746932 [0,1,0,1,0,0|2,0,0]=4 9060 B9R1.79 C#CC(=O)CC1CCC1 1458a_100000211873_100000763275 [0,1,0,1,0,0|1,0,1]=4 9061 B9R1.79 C#CC(=O)CC1CCO1 1458a_100000211873_100000103362 [0,1,0,1,0,0|1,0,1]=4 9062 B9R1.79 C#CC(=O)CC1COC1 1458a_100000211873_100010264016 [0,1,0,1,0,0|1,0,1]=4 9063 B9R1.79 C=CC(=O)CC1CCC1 1458a_100000185746_100000763275 [0,1,0,1,0,0|1,0,1]=4 9064 B9R1.79 C=CC(=O)CC1CCO1 1458a_100000185746_100000103362 [0,1,0,1,0,0|1,0,1]=4 9065 B9R1.79 C=CC(=O)CC1COC1 1458a_100000185746_100010264016 [0,1,0,1,0,0|1,0,1]=4 9066 B9R1.79 C=CC(=O)NC1CCC1 1626a_100000749019_100000185746 [0,1,0,1,0,0|1,0,1]=4 9067 B9R1.79 C=CC(=O)NC1CCC1 240690a_100000749019_200121576911 [0,1,0,1,0,0|1,0,1]=4 9068 B9R1.79 CCC(=O)C=C1CCC1 1458a_100000686340_100000210202 [0,1,0,1,0,0|1,0,1]=4 9069 B9R1.79 CCC(=O)CC1CCC1 1458a_100000210414_100000763275 [0,1,0,1,0,0|1,0,0]=3 9070 B9R1.79 CCC(=O)CC1CCC1 1458a_100000763092_100000210202 [0,1,0,1,0,0|1,0,0]=3 9071 B9R1.79 CCC(=O)CC1CCO1 1458a_100000210414_100000103362 [0,1,0,1,0,0|1,0,0]=3 9072 B9R1.79 CCC(=O)CC1COC1 1458a_100000210414_100010264016 [0,1,0,1,0,0|1,0,0]=3 9073 B9R1.79 CCC(=O)CC1COC1 1458a_100000687760_100000210202 [0,1,0,1,0,0|1,0,0]=3 9074 B9R1.79 CCC(=O)CN1CCC1 269982a_100000754969_100000747405 [0,1,0,1,0,0|1,0,0]=3 9075 B9R1.79 CCC(=O)NC1CCC1 11a_100000749019_100000210414 [0,1,0,1,0,0|1,0,0]=3 9076 B9R1.79 CCC(=O)NC1CCC1 1626a_100000749019_100000210414 [0,1,0,1,0,0|1,0,0]=3 9077 B9R1.79 CCC(=O)NC1CCC1 240690a_100000749019_100000210414 [0,1,0,1,0,0|1,0,0]=3 9078 B9R1.79 CCC(=O)NC1CCC1 527a_100000749019_100000210414 [0,1,0,1,0,0|1,0,0]=3 9079 B9R1.79 CCC(=O)NC1COC1 11a_100016991112_100000210414 [0,1,0,1,0,0|2,0,0]=4 9080 B9R1.79 CCC(=O)NC1COC1 1626a_100016991112_100000210414 [0,1,0,1,0,0|2,0,0]=4 9081 B9R1.79 CCC(=O)NC1COC1 240690a_100016991112_100000210414 [0,1,0,1,0,0|2,0,0]=4 9082 B9R1.79 CCC(=O)NC1COC1 527a_100016991112_100000210414 [0,1,0,1,0,0|2,0,0]=4 9083 B9R1.79 CCC(=O)NC1CSC1 11a_100016994217_100000210414 [0,1,0,1,0,0|2,0,0]=4 9084 B9R1.79 CCC(=O)NC1CSC1 1626a_100016994217_100000210414 [0,1,0,1,0,0|2,0,0]=4 9085 B9R1.79 CCC(=O)NC1CSC1 240690a_100016994217_100000210414 [0,1,0,1,0,0|2,0,0]=4 9086 B9R1.79 CCC(=O)NC1CSC1 527a_100016994217_100000210414 [0,1,0,1,0,0|2,0,0]=4 9087 B9R1.79 CNC(=O)C=C1CCC1 11a_106832991635_100000686340 [0,1,0,1,0,0|1,0,1]=4 9088 B9R1.79 CNC(=O)C=C1CCC1 240690a_100102657272_100000686340 [0,1,0,1,0,0|1,0,1]=4 9089 B9R1.79 CNC(=O)CC1CCC1 11a_106832991635_100000763092 [0,1,0,1,0,0|1,0,0]=3 9090 B9R1.79 CNC(=O)CC1CCC1 1626a_100102657272_100000763092 [0,1,0,1,0,0|1,0,0]=3 9091 B9R1.79 CNC(=O)CC1CCC1 240690a_100102657272_100000763092 [0,1,0,1,0,0|1,0,0]=3 9092 B9R1.79 CNC(=O)CC1CCC1 527a_100102657272_100000763092 [0,1,0,1,0,0|1,0,0]=3 9093 B9R1.79 CNC(=O)CC1COC1 11a_106832991635_100000687760 [0,1,0,1,0,0|1,0,0]=3 9094 B9R1.79 CNC(=O)CC1COC1 1626a_100102657272_100000687760 [0,1,0,1,0,0|1,0,0]=3 9095 B9R1.79 CNC(=O)CN1CCC1 269982a_100000754969_100000183359 [0,1,0,1,0,0|1,0,0]=3 9096 B9R1.79 CNC(=O)NC1CCC1 2708a_100102657272_100000749019 [0,1,0,1,0,0|1,0,0]=3 9097 B9R1.79 CNC(=O)NC1CCC1 273464a_100000749019_100102657272 [0,1,0,1,0,0|1,0,0]=3 9098 B9R1.79 CNC(=O)NC1CCC1 273464a_100102657272_100000749019 [0,1,0,1,0,0|1,0,0]=3 9099 B9R1.79 CNC(=O)NC1CCC1 512a_100000749019_100102657272 [0,1,0,1,0,0|1,0,0]=3 9100 B9R1.79 CNC(=O)NC1CCC1 512a_106832991638_100000749019 [0,1,0,1,0,0|1,0,0]=3 9101 B9R1.79 CNC(=O)NC1COC1 2708a_100016991112_106832991635 [0,1,0,1,0,0|2,0,0]=4 9102 B9R1.79 CNC(=O)NC1COC1 2708a_100102657272_100016991112 [0,1,0,1,0,0|2,0,0]=4 9103 B9R1.79 CNC(=O)NC1COC1 273464a_100016991112_100102657272 [0,1,0,1,0,0|2,0,0]=4 9104 B9R1.79 CNC(=O)NC1COC1 273464a_100102657272_100016991112 [0,1,0,1,0,0|2,0,0]=4 9105 B9R1.79 CNC(=O)NC1COC1 512a_100016991112_100102657272 [0,1,0,1,0,0|2,0,0]=4 9106 B9R1.79 CNC(=O)NC1COC1 512a_106832991638_100016991112 [0,1,0,1,0,0|2,0,0]=4 9107 B9R1.79 CNC(=O)NC1CSC1 2708a_100016994217_106832991635 [0,1,0,1,0,0|2,0,0]=4 9108 B9R1.79 CNC(=O)NC1CSC1 2708a_100102657272_100016994217 [0,1,0,1,0,0|2,0,0]=4 9109 B9R1.79 CNC(=O)NC1CSC1 273464a_100016994217_100102657272 [0,1,0,1,0,0|2,0,0]=4 9110 B9R1.79 CNC(=O)NC1CSC1 273464a_100102657272_100016994217 [0,1,0,1,0,0|2,0,0]=4 9111 B9R1.79 CNC(=O)NC1CSC1 512a_100016994217_100102657272 [0,1,0,1,0,0|2,0,0]=4 9112 B9R1.79 CNC(=O)NC1CSC1 512a_106832991638_100016994217 [0,1,0,1,0,0|2,0,0]=4 9113 B9R1.79 COC(=O)CN1CCC1 269982a_100000754969_100000747449 [0,1,0,1,0,0|0,0,0]=2 9114 B9R1.79 COC(C)SC1CCC1 62a_100009879195_100000749161 [0,1,0,1,0,0|1,0,1]=4 9115 B9R1.79 O=C(CF)CC1CCC1 1458a_100000763092_100015361967 [0,1,0,1,0,0|2,0,0]=4 9116 B9R1.79 O=C(CF)CC1COC1 1458a_100000687760_100015361967 [0,1,0,1,0,0|2,0,0]=4 9117 B9R1.79 O=C(CO)CC1CCC1 1458a_100000210174_100000763275 [0,1,0,1,0,0|2,0,0]=4 9118 B9R1.79 O=C(CO)CC1CCO1 1458a_100000210174_100000103362 [0,1,0,1,0,0|2,0,0]=4 9119 B9R1.79 O=C(CO)CC1COC1 1458a_100000210174_100010264016 [0,1,0,1,0,0|2,0,0]=4 9120 B9R1.79 O=C(CO)NC1CCC1 240690a_100000749019_100000210174 [0,1,0,1,0,0|2,0,0]=4 9121 B9R1.79 O=C(CO)NC1CCC1 527a_100000749019_100000210174 [0,1,0,1,0,0|2,0,0]=4 9122 B9R1.80 C#CC(=O)CCC1CC1 1458a_100000211873_100000694398 [0,1,0,1,0,0|1,0,1]=4 9123 B9R1.80 C#CC(=O)CCC1CO1 1458a_100000211873_100000732470 [0,1,0,1,0,0|1,0,1]=4 9124 B9R1.80 C=CC(=O)CCC1CC1 1458a_100000185746_100000694398 [0,1,0,1,0,0|1,0,1]=4 9125 B9R1.80 C=CC(=O)CCC1CO1 1458a_100000185746_100000732470 [0,1,0,1,0,0|1,0,1]=4 9126 B9R1.80 C=CC(=O)NCC1CC1 1626a_100000735609_100000185746 [0,1,0,1,0,0|1,0,1]=4 9127 B9R1.80 C=CC(=O)NCC1CC1 240690a_100000735609_200121576911 [0,1,0,1,0,0|1,0,1]=4 9128 B9R1.80 CCC(=O)C=CC1CC1 1458a_100102529529_100000210202 [0,1,0,1,0,0|1,0,1]=4 9129 B9R1.80 CCC(=O)CCC1CC1 1458a_100000210414_100000694398 [0,1,0,1,0,0|1,0,0]=3 9130 B9R1.80 CCC(=O)CCC1CC1 1458a_100000756386_100000210202 [0,1,0,1,0,0|1,0,0]=3 9131 B9R1.80 CCC(=O)CCC1CO1 1458a_100000210414_100000732470 [0,1,0,1,0,0|1,0,0]=3 9132 B9R1.80 CCC(=O)COC1CC1 34a_100000725409_100000211595 [0,1,0,1,0,0|1,0,0]=3 9133 B9R1.80 CCC(=O)CSC1CC1 62a_100000747405_100000211595 [0,1,0,1,0,0|1,0,0]=3 9134 B9R1.80 CCC(=O)NCC1CC1 11a_100000735609_100000210414 [0,1,0,1,0,0|1,0,0]=3 9135 B9R1.80 CCC(=O)NCC1CC1 1626a_100000735609_100000210414 [0,1,0,1,0,0|1,0,0]=3 9136 B9R1.80 CCC(=O)NCC1CC1 240690a_100000735609_100000210414 [0,1,0,1,0,0|1,0,0]=3 9137 B9R1.80 CCC(=O)NCC1CC1 527a_100000735609_100000210414 [0,1,0,1,0,0|1,0,0]=3 9138 B9R1.80 CCC(=O)NNC1CC1 22a_100000701032_100000210414 [0,1,0,1,0,0|2,0,0]=4 9139 B9R1.80 CNC(=O)C=CC1CC1 11a_106832991635_100102529529 [0,1,0,1,0,0|1,0,1]=4 9140 B9R1.80 CNC(=O)C=CC1CC1 1626a_100102657272_100102529529 [0,1,0,1,0,0|1,0,1]=4 9141 B9R1.80 CNC(=O)C=CC1CC1 240690a_100102657272_100102529529 [0,1,0,1,0,0|1,0,1]=4 9142 B9R1.80 CNC(=O)CCC1CC1 11a_106832991635_100000756386 [0,1,0,1,0,0|1,0,0]=3 9143 B9R1.80 CNC(=O)CCC1CC1 1626a_100102657272_100000756386 [0,1,0,1,0,0|1,0,0]=3 9144 B9R1.80 CNC(=O)CCC1CC1 240690a_100102657272_100000756386 [0,1,0,1,0,0|1,0,0]=3 9145 B9R1.80 CNC(=O)CCC1CC1 527a_100102657272_100000756386 [0,1,0,1,0,0|1,0,0]=3 9146 B9R1.80 CNC(=O)CNC1CC1 34a_100000212008_100000183359 [0,1,0,1,0,0|1,0,0]=3 9147 B9R1.80 CNC(=O)COC1CC1 34a_100000750040_100000211595 [0,1,0,1,0,0|1,0,0]=3 9148 B9R1.80 CNC(=O)CSC1CC1 62a_100000183359_100000211595 [0,1,0,1,0,0|1,0,0]=3 9149 B9R1.80 CNC(=O)NCC1CC1 2708a_100000735609_106832991635 [0,1,0,1,0,0|1,0,0]=3 9150 B9R1.80 CNC(=O)NCC1CC1 2708a_100102657272_100000735609 [0,1,0,1,0,0|1,0,0]=3 9151 B9R1.80 CNC(=O)NCC1CC1 273464a_100000735609_100102657272 [0,1,0,1,0,0|1,0,0]=3 9152 B9R1.80 CNC(=O)NCC1CC1 273464a_100102657272_100000735609 [0,1,0,1,0,0|1,0,0]=3 9153 B9R1.80 CNC(=O)NCC1CC1 512a_100000735609_100102657272 [0,1,0,1,0,0|1,0,0]=3 9154 B9R1.80 CNC(=O)NCC1CC1 512a_106832991638_100000735609 [0,1,0,1,0,0|1,0,0]=3 9155 B9R1.80 CNC(=O)NNC1CC1 273464a_100102657272_100000701032 [0,1,0,1,0,0|2,0,0]=4 9156 B9R1.80 CNC(=O)NNC1CC1 512a_100000701032_100102657272 [0,1,0,1,0,0|2,0,0]=4 9157 B9R1.80 CNC(=O)NNC1CC1 512a_106832991638_100000701032 [0,1,0,1,0,0|2,0,0]=4 9158 B9R1.80 COC(=O)CNC1CC1 34a_100000212008_100000747449 [0,1,0,1,0,0|0,0,0]=2 9159 B9R1.80 COC(=O)CSC1CC1 62a_100000747449_100000211595 [0,1,0,1,0,0|0,0,0]=2 9160 B9R1.80 COC(C)COC1CC1 34a_100000690652_100000211595 [0,1,0,1,0,0|1,0,1]=4 9161 B9R1.80 COC(C)SCC1CC1 62a_100000756562_100009879195 [0,1,0,1,0,0|1,0,1]=4 9162 B9R1.80 COC(C)SCC1CC1 62a_100009879195_100000742324 [0,1,0,1,0,0|1,0,1]=4 9163 B9R1.80 O=C(CF)CCC1CC1 1458a_100000756386_100015361967 [0,1,0,1,0,0|2,0,0]=4 9164 B9R1.80 O=C(CO)CCC1CC1 1458a_100000210174_100000694398 [0,1,0,1,0,0|2,0,0]=4 9165 B9R1.80 O=C(CO)CCC1CO1 1458a_100000210174_100000732470 [0,1,0,1,0,0|2,0,0]=4 9166 B9R1.80 O=C(CO)NCC1CC1 240690a_100000735609_100000210174 [0,1,0,1,0,0|2,0,0]=4 9167 B9R1.80 O=C(CO)NCC1CC1 527a_100000735609_100000210174 [0,1,0,1,0,0|2,0,0]=4 9168 B9R1.81 C=CC(=O)N1CCC1C 240690a_100000755817_200121576911 [0,1,0,1,0,0|1,0,1]=4 9169 B9R1.81 CC1CCN1C(=O)CO 240690a_100000755817_100000210174 [0,1,0,1,0,0|2,0,0]=4 9170 B9R1.81 CC1CCN1C(=O)CO 527a_100000755817_100000210174 [0,1,0,1,0,0|2,0,0]=4 9171 B9R1.81 CCC(=O)C1CCC1=O 1458a_100000210414_100009892977 [0,1,0,1,0,0|1,0,1]=4 9172 B9R1.81 CCC(=O)N1CCC1C 11a_100000755817_100000210414 [0,1,0,1,0,0|1,0,0]=3 9173 B9R1.81 CCC(=O)N1CCC1C 240690a_100000755817_100000210414 [0,1,0,1,0,0|1,0,0]=3 9174 B9R1.81 CCC(=O)N1CCC1C 527a_100000755817_100000210414 [0,1,0,1,0,0|1,0,0]=3 9175 B9R1.81 CCN(C)C1CCC1=O 269982a_100000225621_100009892977 [0,1,0,1,0,0|2,0,0]=4 9176 B9R1.81 CNC(=O)N1CCC1C 2708a_100102657272_100000755817 [0,1,0,1,0,0|1,0,0]=3 9177 B9R1.81 CNC(=O)N1CCC1C 273464a_100102657272_100000755817 [0,1,0,1,0,0|1,0,0]=3 9178 B9R1.81 COC(=O)[C@@H]1CCN1C 2230a_102516456887_200000210301 [0,1,0,1,0,0|0,0,0]=2 9179 B9R1.81 COC(=O)[C@@H]1CCN1C 269982a_102516456887_200000210301 [0,1,0,1,0,0|0,0,0]=2 9180 B9R1.81 COC(=O)[C@@H]1CCN1[13CH3] 2230a_102516456887_200025704644 [0,1,0,1,0,0|0,0,0]=2 9181 B9R1.81 COC(=O)[C@@H]1CCN1[13CH3] 269982a_102516456887_200025704644 [0,1,0,1,0,0|0,0,0]=2 9182 B9R1.81 COC(C)N1CCC1C 269982a_100000755817_100009879195 [0,1,0,1,0,0|1,0,1]=4 9183 B9R1.89 COC1CCCCCC1 34a_100000210887_200000210301 [0,1,0,1,0,0|1,0,1]=4 9184 B9R1.89 COC1CCCCCC1 34a_100138415774_100011217769 [0,1,0,1,0,0|1,0,1]=4 9185 B9R1.89 COC1CCCCCC1 7a_100000210887_200000210301 [0,1,0,1,0,0|1,0,1]=4 9186 B9R1.89 [13CH3]OC1CCCCCC1 34a_100000210887_200025704644 [0,1,0,1,0,0|1,0,1]=4 9187 B9R1.89 [13CH3]OC1CCCCCC1 7a_100000210887_200025704644 [0,1,0,1,0,0|1,0,1]=4 9188 B9R1.99 CCCOCC1(CO1)C 34a_100000210258_100000760498 [0,1,0,1,0,0|1,0,1]=4 9189 B9R1.99 CCCSCC1(CO1)C 62a_100000210303_100000760498 [0,1,0,1,0,0|1,0,1]=4 9190 B9R1.99 CCCSCC1(CO1)C 62a_100000760498_100000210303 [0,1,0,1,0,0|1,0,1]=4 9191 B9R1.118 CC1(CCCCC1)O[13CH3] 34a_100011215885_200025704644 [0,1,0,1,0,0|1,0,1]=4 9192 B9R1.118 CC1(CCCCC1)O[13CH3] 7a_100011215885_200025704644 [0,1,0,1,0,0|1,0,1]=4 9193 B9R1.118 CC1(CCOCC1)O[13CH3] 34a_100011827762_200025704644 [0,1,0,1,0,0|1,0,1]=4 9194 B9R1.118 CC1(CCOCC1)O[13CH3] 7a_100011827762_200025704644 [0,1,0,1,0,0|1,0,1]=4 9195 B9R1.118 CC1(CCSCC1)O[13CH3] 34a_200011004327_200025704644 [0,1,0,1,0,0|1,0,1]=4 9196 B9R1.118 CC1(CCSCC1)O[13CH3] 7a_200011004327_200025704644 [0,1,0,1,0,0|1,0,1]=4 9197 B9R1.118 COC1(CCCCC1)C 34a_100011215885_200000210301 [0,1,0,1,0,0|1,0,1]=4 9198 B9R1.118 COC1(CCCCC1)C 7a_100011215885_200000210301 [0,1,0,1,0,0|1,0,1]=4 9199 B9R1.118 COC1(CCOCC1)C 34a_100011827762_200000210301 [0,1,0,1,0,0|1,0,1]=4 9200 B9R1.118 COC1(CCOCC1)C 7a_100011827762_200000210301 [0,1,0,1,0,0|1,0,1]=4 9201 B9R1.118 COC1(CCSCC1)C 34a_200011004327_200000210301 [0,1,0,1,0,0|1,0,1]=4 9202 B9R1.118 COC1(CCSCC1)C 7a_200011004327_200000210301 [0,1,0,1,0,0|1,0,1]=4 9203 B9R1.6 CC(=O)C1=CCCCC1 1458a_100000765259_200000210301 [0,1,0,1,0,0|2,0,0]=4 9204 B9R1.6 [13CH3]C(=O)C1=CCCCC1 1458a_100000765259_200025704644 [0,1,0,1,0,0|2,0,0]=4 9205 B9R1.23 CN1CC(CC1=O)N[13CH3] 2230a_100000748898_200025704644 [0,1,0,1,0,0|2,0,0]=4 9206 B9R1.23 CN1CC(CC1=O)N[13CH3] 34a_100000748898_200025704644 [0,1,0,1,0,0|2,0,0]=4 9207 B9R1.23 CNC1CC(=O)N(C1)C 2230a_100000748898_200000210301 [0,1,0,1,0,0|2,0,0]=4 9208 B9R1.23 CNC1CC(=O)N(C1)C 34a_100000748898_200000210301 [0,1,0,1,0,0|2,0,0]=4 9209 B9R1.35 CC(=O)C1CNC(=O)C1 1458a_100000747279_200000210301 [0,1,0,1,0,0|1,0,1]=4 9210 B9R1.35 CC(C)N1CNC(=O)C1 2230a_200000708111_100000210206 [0,1,0,1,0,0|2,0,0]=4 9211 B9R1.35 [13CH3]C(=O)C1CNC(=O)C1 1458a_100000747279_200025704644 [0,1,0,1,0,0|1,0,1]=4 9212 B9R1.45 CC(C)C(=O)C1CC1C 1458a_100000211227_100000210206 [0,1,0,1,0,0|1,0,0]=3 9213 B9R1.45 CC(C)C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210206 [0,1,0,1,0,0|2,0,0]=4 9214 B9R1.45 CC1CC1C(=O)N(C)C 11a_100102631434_100000211227 [0,1,0,1,0,0|1,0,0]=3 9215 B9R1.45 CC1CC1C(=O)N(C)C 1626a_100102631434_100000211227 [0,1,0,1,0,0|1,0,0]=3 9216 B9R1.45 CC1CC1C(=O)N(C)C 527a_100102631434_100000211227 [0,1,0,1,0,0|1,0,0]=3 9217 B9R1.45 CN(C)C(=O)[C@@H]1C[C@@H]1F 11a_100102631434_100015396687 [0,1,0,1,0,0|2,0,0]=4 9218 B9R1.45 CN(C)C(=O)[C@@H]1C[C@@H]1F 240690a_100102631434_100015396687 [0,1,0,1,0,0|2,0,0]=4 9219 B9R1.45 CN(C)C(=O)[C@@H]1C[C@@H]1F 527a_100102631434_100015396687 [0,1,0,1,0,0|2,0,0]=4 9220 B9R1.110 C=C(C)C(=O)C1CCC1 1458a_100000185857_100000749161 [0,1,0,1,0,0|1,0,0]=3 9221 B9R1.110 C=C(C)C(=O)C1COC1 1458a_100000185857_100000687716 [0,1,0,1,0,0|2,0,0]=4 9222 B9R1.110 C=C(C)C(=O)N1CCC1 11a_100000754969_100000185857 [0,1,0,1,0,0|2,0,0]=4 9223 B9R1.110 CC(C)C(=O)C1CCC1 1458a_100000209988_100000210206 [0,1,0,1,0,0|1,0,0]=3 9224 B9R1.110 CC(C)C(=O)C1CCC1 1458a_100000210198_100000749161 [0,1,0,1,0,0|1,0,0]=3 9225 B9R1.110 CC(C)C(=O)C1CCO1 1458a_100000089072_100000210206 [0,1,0,1,0,0|2,0,0]=4 9226 B9R1.110 CC(C)C(=O)C1COC1 1458a_100000210198_100000687716 [0,1,0,1,0,0|2,0,0]=4 9227 B9R1.110 CC(C)C(=O)C1COC1 1458a_100000758290_100000210206 [0,1,0,1,0,0|2,0,0]=4 9228 B9R1.110 CC(C)C(=O)N1CCC1 11a_100000754969_100000210198 [0,1,0,1,0,0|2,0,0]=4 9229 B9R1.110 CC(C)C(=O)N1CCC1 240690a_100000754969_100000210198 [0,1,0,1,0,0|2,0,0]=4 9230 B9R1.110 CC(C)C(=O)N1CCC1 527a_100000754969_100000210198 [0,1,0,1,0,0|2,0,0]=4 9231 B9R1.110 CC(F)C(=O)C1CCC1 1458a_100000062450_100000749161 [0,1,0,1,0,0|1,0,0]=3 9232 B9R1.110 CC(F)C(=O)C1COC1 1458a_100000062450_100000687716 [0,1,0,1,0,0|2,0,0]=4 9233 B9R1.110 CC(F)C(=O)N1CCC1 11a_100000754969_100000062450 [0,1,0,1,0,0|2,0,0]=4 9234 B9R1.110 CC(F)C(=O)N1CCC1 240690a_100000754969_100000062450 [0,1,0,1,0,0|2,0,0]=4 9235 B9R1.110 CC(F)C(=O)N1CCC1 527a_100000754969_100000062450 [0,1,0,1,0,0|2,0,0]=4 9236 B9R1.110 CN(C)C(=O)C1CCC1 11a_100102631434_100000209988 [0,1,0,1,0,0|1,0,0]=3 9237 B9R1.110 CN(C)C(=O)C1CCC1 1626a_100102631434_100000209988 [0,1,0,1,0,0|1,0,0]=3 9238 B9R1.110 CN(C)C(=O)C1CCC1 240690a_100102631434_100000209988 [0,1,0,1,0,0|1,0,0]=3 9239 B9R1.110 CN(C)C(=O)C1CCC1 527a_100102631434_100000209988 [0,1,0,1,0,0|1,0,0]=3 9240 B9R1.110 CN(C)C(=O)C1CCO1 11a_100102631434_100000089072 [0,1,0,1,0,0|2,0,0]=4 9241 B9R1.110 CN(C)C(=O)C1CCO1 1626a_100102631434_100000089072 [0,1,0,1,0,0|2,0,0]=4 9242 B9R1.110 CN(C)C(=O)C1CCO1 240690a_100102631434_100000089072 [0,1,0,1,0,0|2,0,0]=4 9243 B9R1.110 CN(C)C(=O)C1CCO1 527a_100102631434_100000089072 [0,1,0,1,0,0|2,0,0]=4 9244 B9R1.110 CN(C)C(=O)C1COC1 11a_100102631434_100000758290 [0,1,0,1,0,0|2,0,0]=4 9245 B9R1.110 CN(C)C(=O)C1COC1 1626a_100102631434_100000758290 [0,1,0,1,0,0|2,0,0]=4 9246 B9R1.110 CN(C)C(=O)C1COC1 240690a_100102631434_100000758290 [0,1,0,1,0,0|2,0,0]=4 9247 B9R1.110 CN(C)C(=O)C1COC1 527a_100102631434_100000758290 [0,1,0,1,0,0|2,0,0]=4 9248 B9R1.110 C[C@@H](O)C(=O)C1CCC1 1458a_100000717761_100000749161 [0,1,0,1,0,0|1,0,0]=3 9249 B9R1.110 C[C@@H](O)C(=O)C1COC1 1458a_100000717761_100000687716 [0,1,0,1,0,0|2,0,0]=4 9250 B9R1.110 C[C@@H](O)C(=O)N1CCC1 240690a_100000754969_100000717761 [0,1,0,1,0,0|2,0,0]=4 9251 B9R1.110 C[C@H](O)C(=O)C1CCC1 1458a_217856618621_100000749161 [0,1,0,1,0,0|1,0,0]=3 9252 B9R1.110 C[C@H](O)C(=O)C1COC1 1458a_217856618621_100000687716 [0,1,0,1,0,0|2,0,0]=4 9253 B9R1.110 C[C@H](O)C(=O)N1CCC1 240690a_100000754969_217856618621 [0,1,0,1,0,0|2,0,0]=4 9254 B9R1.110 O=C(C(O)O)C1CCC1 1458a_100000233687_100000749161 [0,1,0,1,0,0|2,0,0]=4 9255 B9R1.112 C=C(C)C(=O)CC1CC1 1458a_100000185857_100000742324 [0,1,0,1,0,0|1,0,0]=3 9256 B9R1.112 C=C(C)C(=O)CC1CO1 1458a_100000185857_100011216344 [0,1,0,1,0,0|2,0,0]=4 9257 B9R1.112 C=C(C)C(=O)CC1CS1 1458a_100000185857_100000031435 [0,1,0,1,0,0|2,0,0]=4 9258 B9R1.112 C=C(C)C(=O)C[C@@H]1CO1 1458a_100000185857_100000745022 [0,1,0,1,0,0|2,0,0]=4 9259 B9R1.112 C=C(C)C(=O)NC1CC1 1626a_100000212008_100000185857 [0,1,0,1,0,0|2,0,0]=4 9260 B9R1.112 CC(=O)C(=O)NC1CC1 1458a_100000756273_200000210301 [0,1,0,1,0,0|2,0,0]=4 9261 B9R1.112 CC(C)C(=O)CC1CC1 1458a_100000210198_100000742324 [0,1,0,1,0,0|1,0,0]=3 9262 B9R1.112 CC(C)C(=O)CC1CC1 1458a_100000738066_100000210206 [0,1,0,1,0,0|1,0,0]=3 9263 B9R1.112 CC(C)C(=O)CC1CO1 1458a_100000210198_100011216344 [0,1,0,1,0,0|2,0,0]=4 9264 B9R1.112 CC(C)C(=O)CC1CS1 1458a_100000210198_100000031435 [0,1,0,1,0,0|2,0,0]=4 9265 B9R1.112 CC(C)C(=O)C[C@@H]1CO1 1458a_100000210198_100000745022 [0,1,0,1,0,0|2,0,0]=4 9266 B9R1.112 CC(C)C(=O)NC1CC1 1626a_100000212008_100000210198 [0,1,0,1,0,0|2,0,0]=4 9267 B9R1.112 CC(C)C(=O)NC1CC1 240690a_100000212008_100000210198 [0,1,0,1,0,0|2,0,0]=4 9268 B9R1.112 CC(C)C(=O)NC1CC1 527a_100000212008_100000210198 [0,1,0,1,0,0|2,0,0]=4 9269 B9R1.112 CC(F)C(=O)CC1CC1 1458a_100000062450_100000742324 [0,1,0,1,0,0|1,0,0]=3 9270 B9R1.112 CC(F)C(=O)CC1CO1 1458a_100000062450_100011216344 [0,1,0,1,0,0|2,0,0]=4 9271 B9R1.112 CC(F)C(=O)CC1CS1 1458a_100000062450_100000031435 [0,1,0,1,0,0|2,0,0]=4 9272 B9R1.112 CC(F)C(=O)C[C@@H]1CO1 1458a_100000062450_100000745022 [0,1,0,1,0,0|2,0,0]=4 9273 B9R1.112 CC(F)C(=O)NC1CC1 1626a_100000212008_100000062450 [0,1,0,1,0,0|2,0,0]=4 9274 B9R1.112 CC(F)C(=O)NC1CC1 240690a_100000212008_100000062450 [0,1,0,1,0,0|2,0,0]=4 9275 B9R1.112 CC(F)C(=O)NC1CC1 527a_100000212008_100000062450 [0,1,0,1,0,0|2,0,0]=4 9276 B9R1.112 CN(C)C(=O)CC1CC1 11a_100102631434_100000738066 [0,1,0,1,0,0|1,0,0]=3 9277 B9R1.112 CN(C)C(=O)CC1CC1 1626a_100102631434_100000738066 [0,1,0,1,0,0|1,0,0]=3 9278 B9R1.112 CN(C)C(=O)CC1CC1 240690a_100102631434_100000738066 [0,1,0,1,0,0|1,0,0]=3 9279 B9R1.112 CN(C)C(=O)CC1CC1 527a_100102631434_100000738066 [0,1,0,1,0,0|1,0,0]=3 9280 B9R1.112 CN(C)C(=O)NC1CC1 2708a_100000212008_100102631434 [0,1,0,1,0,0|2,0,0]=4 9281 B9R1.112 C[C@@H](O)C(=O)CC1CC1 1458a_100000717761_100000742324 [0,1,0,1,0,0|1,0,0]=3 9282 B9R1.112 C[C@@H](O)C(=O)CC1CO1 1458a_100000717761_100011216344 [0,1,0,1,0,0|2,0,0]=4 9283 B9R1.112 C[C@@H](O)C(=O)CC1CS1 1458a_100000717761_100000031435 [0,1,0,1,0,0|2,0,0]=4 9284 B9R1.112 C[C@@H](O)C(=O)C[C@@H]1CO1 1458a_100000717761_100000745022 [0,1,0,1,0,0|2,0,0]=4 9285 B9R1.112 C[C@@H](O)C(=O)NC1CC1 240690a_100000212008_100000717761 [0,1,0,1,0,0|2,0,0]=4 9286 B9R1.112 C[C@H](O)C(=O)CC1CC1 1458a_217856618621_100000742324 [0,1,0,1,0,0|1,0,0]=3 9287 B9R1.112 C[C@H](O)C(=O)CC1CO1 1458a_217856618621_100011216344 [0,1,0,1,0,0|2,0,0]=4 9288 B9R1.112 C[C@H](O)C(=O)CC1CS1 1458a_217856618621_100000031435 [0,1,0,1,0,0|2,0,0]=4 9289 B9R1.112 C[C@H](O)C(=O)C[C@@H]1CO1 1458a_217856618621_100000745022 [0,1,0,1,0,0|2,0,0]=4 9290 B9R1.112 C[C@H](O)C(=O)NC1CC1 1626a_100000212008_217856618621 [0,1,0,1,0,0|2,0,0]=4 9291 B9R1.112 C[C@H](O)C(=O)NC1CC1 240690a_100000212008_217856618621 [0,1,0,1,0,0|2,0,0]=4 9292 B9R1.112 O=C(CC1CC1)C(O)O 1458a_100000233687_100000742324 [0,1,0,1,0,0|2,0,0]=4 9293 B9R1.112 [13CH3]C(=O)C(=O)NC1CC1 1458a_100000756273_200025704644 [0,1,0,1,0,0|2,0,0]=4 9294 B9R1.67 CC(C)NC1CCC1=O 34a_100138425928_100009892977 [0,1,0,1,0,0|2,0,0]=4 9295 B9R1.67 CC(C)OC1CCC1=O 34a_100000212225_100009892977 [0,1,0,1,0,0|2,0,0]=4 9296 B9R1.67 CC(C)SC1CCC1=O 62a_100000210206_100009892977 [0,1,0,1,0,0|2,0,0]=4 9297 B9R1.67 CC(C)SC1CCC1=O 62a_100009892977_100000210206 [0,1,0,1,0,0|2,0,0]=4 9298 B9R1.185 CC1(C[C@@H]1C(=O)CF)C 1458a_100000692687_100015361967 [0,1,0,1,0,0|2,0,0]=4 9299 B9R1.185 CCC(=O)C1CC1(F)F 1458a_100000042250_100000210202 [0,1,0,1,0,0|2,0,0]=4 9300 B9R1.185 CCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000210202 [0,1,0,1,0,0|1,0,0]=3 9301 B9R1.185 CNC(=O)C1CC1(F)F 11a_106832991635_100000042250 [0,1,0,1,0,0|2,0,0]=4 9302 B9R1.185 CNC(=O)C1CC1(F)F 240690a_100102657272_100000042250 [0,1,0,1,0,0|2,0,0]=4 9303 B9R1.185 CNC(=O)C1CC1(F)F 527a_100102657272_100000042250 [0,1,0,1,0,0|2,0,0]=4 9304 B9R1.185 CNC(=O)[C@H]1CC1(C)C 11a_106832991635_100000692687 [0,1,0,1,0,0|1,0,0]=3 9305 B9R1.185 CNC(=O)[C@H]1CC1(C)C 1626a_100102657272_100000692687 [0,1,0,1,0,0|1,0,0]=3 9306 B9R1.185 CNC(=O)[C@H]1CC1(C)C 240690a_100102657272_100000692687 [0,1,0,1,0,0|1,0,0]=3 9307 B9R1.185 CNC(=O)[C@H]1CC1(C)C 527a_100102657272_100000692687 [0,1,0,1,0,0|1,0,0]=3 9308 B9R1.204 C#CC1(CCCC1)OC 34a_100000189447_200000210301 [0,1,0,1,0,0|1,0,1]=4 9309 B9R1.204 C#CC1(CCCC1)OC 7a_100000189447_200000210301 [0,1,0,1,0,0|1,0,1]=4 9310 B9R1.204 C#CC1(CCCC1)O[13CH3] 34a_100000189447_200025704644 [0,1,0,1,0,0|1,0,1]=4 9311 B9R1.204 C#CC1(CCCC1)O[13CH3] 7a_100000189447_200025704644 [0,1,0,1,0,0|1,0,1]=4 9312 B9R1.204 CCC1(CCCC1)OC 7a_100000752416_200000210301 [0,1,0,1,0,0|1,0,1]=4 9313 B9R1.204 CCC1(CCCC1)O[13CH3] 7a_100000752416_200025704644 [0,1,0,1,0,0|1,0,1]=4 9314 B9R1.204 COC1(CCCC1)C#N 34a_100000744759_200000210301 [0,1,0,1,0,0|1,0,1]=4 9315 B9R1.204 COC1(CCCC1)C#N 7a_100000744759_200000210301 [0,1,0,1,0,0|1,0,1]=4 9316 B9R1.204 COC1(CCCC1)CN 34a_100000737848_200000210301 [0,1,0,1,0,0|1,0,1]=4 9317 B9R1.204 [13CH3]OC1(CCCC1)C#N 34a_100000744759_200025704644 [0,1,0,1,0,0|1,0,1]=4 9318 B9R1.204 [13CH3]OC1(CCCC1)C#N 7a_100000744759_200025704644 [0,1,0,1,0,0|1,0,1]=4 9319 B9R1.204 [13CH3]OC1(CCCC1)CN 34a_100000737848_200025704644 [0,1,0,1,0,0|1,0,1]=4 9320 B9R1.113 CC1(CC1)CC(=O)CF 1458a_100000112800_100015361967 [0,1,0,1,0,0|2,0,0]=4 9321 B9R1.113 CCC(=O)CC1(CC1)C 1458a_100000112800_100000210202 [0,1,0,1,0,0|1,0,0]=3 9322 B9R1.113 CCC(=O)CC1(CO1)C 1458a_100000210414_100000760498 [0,1,0,1,0,0|2,0,0]=4 9323 B9R1.113 CCC(=O)NC1(CC1)C 11a_100000757604_100000210414 [0,1,0,1,0,0|2,0,0]=4 9324 B9R1.113 CCC(=O)NC1(CC1)C 1626a_100000757604_100000210414 [0,1,0,1,0,0|2,0,0]=4 9325 B9R1.113 CCC(=O)NC1(CC1)C 240690a_100000757604_100000210414 [0,1,0,1,0,0|2,0,0]=4 9326 B9R1.113 CCC(=O)NC1(CC1)C 527a_100000757604_100000210414 [0,1,0,1,0,0|2,0,0]=4 9327 B9R1.113 CNC(=O)CC1(CC1)C 11a_106832991635_100000112800 [0,1,0,1,0,0|1,0,0]=3 9328 B9R1.113 CNC(=O)CC1(CC1)C 1626a_100102657272_100000112800 [0,1,0,1,0,0|1,0,0]=3 9329 B9R1.113 CNC(=O)CC1(CC1)C 240690a_100102657272_100000112800 [0,1,0,1,0,0|1,0,0]=3 9330 B9R1.113 CNC(=O)CC1(CC1)C 527a_100102657272_100000112800 [0,1,0,1,0,0|1,0,0]=3 9331 B9R1.113 CNC(=O)NC1(CC1)C 2708a_100102657272_100000757604 [0,1,0,1,0,0|2,0,0]=4 9332 B9R1.113 CNC(=O)NC1(CC1)C 273464a_100000757604_100102657272 [0,1,0,1,0,0|2,0,0]=4 9333 B9R1.113 CNC(=O)NC1(CC1)C 273464a_100102657272_100000757604 [0,1,0,1,0,0|2,0,0]=4 9334 B9R1.113 CNC(=O)NC1(CC1)C 512a_100000757604_100102657272 [0,1,0,1,0,0|2,0,0]=4 9335 B9R2.70 COC1CCC2C1C2 34a_200012295571_200000210301 [0,0,0,2,0,0|1,0,1]=4 9336 B9R2.70 [13CH3]OC1CCC2C1C2 34a_200012295571_200025704644 [0,0,0,2,0,0|1,0,1]=4