0 B7R0.3 C#CC(=O)C/C=C/C 1458a_100000211873_100102629194 [0,0,0,0,0,0|0,0,4]=4 1 B7R0.3 C#CC(=O)CC#CC 1458a_100000211873_100000748600 [0,0,0,0,0,0|0,0,4]=4 2 B7R0.3 C#CC(=O)CC=CC 1458a_100000211873_100000070051 [0,0,0,0,0,0|0,0,4]=4 3 B7R0.3 C#CC(=O)CCC#N 1458a_100000211873_100011215226 [0,0,0,0,0,0|1,0,3]=4 4 B7R0.3 C#CC(=O)CCC=C 1458a_100000211873_100000754431 [0,0,0,0,0,0|0,0,4]=4 5 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [0,0,0,0,0,0|0,0,2]=2 6 B7R0.3 C#CC(=O)CCCF 1458a_100000211873_100011934791 [0,0,0,0,0,0|1,0,2]=3 7 B7R0.3 C#CC(=O)CCCO 1458a_100000211873_100011215043 [0,0,0,0,0,0|1,0,2]=3 8 B7R0.3 C#CC(=O)CCOC 1458a_100000211873_100000233755 [0,0,0,0,0,0|1,0,2]=3 9 B7R0.3 C#CC(=O)CCSC 1458a_100000211873_100000751147 [0,0,0,0,0,0|1,0,2]=3 10 B7R0.3 C#CCCC(=O)C#C 1458a_100000211873_100000753159 [0,0,0,0,0,0|0,0,4]=4 11 B7R0.3 C#CCCC(=O)C=C 1458a_100000185746_100000753159 [0,0,0,0,0,0|0,0,4]=4 12 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [0,0,0,0,0,0|0,0,2]=2 13 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [0,0,0,0,0,0|0,0,2]=2 14 B7R0.3 C#CCCC(=O)CF 1458a_100000692101_100015361967 [0,0,0,0,0,0|1,0,2]=3 15 B7R0.3 C#CCCC(=O)CO 1458a_100000210174_100000753159 [0,0,0,0,0,0|1,0,2]=3 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#CCCN(C)CC 2230a_100000225621_100000688953 [0,0,0,0,0,0|2,0,2]=4 21 B7R0.3 C#CCCN(C)CC 269982a_100000225621_100000730999 [0,0,0,0,0,0|2,0,2]=4 22 B7R0.3 C#CCNC(=O)CC 11a_100000212058_100000210414 [0,0,0,0,0,0|1,0,2]=3 23 B7R0.3 C#CCNC(=O)CC 1626a_100000212058_100000210414 [0,0,0,0,0,0|1,0,2]=3 24 B7R0.3 C#CCNC(=O)CC 240690a_100000212058_100000210414 [0,0,0,0,0,0|1,0,2]=3 25 B7R0.3 C#CCNC(=O)CC 527a_100000212058_100000210414 [0,0,0,0,0,0|1,0,2]=3 26 B7R0.3 C#CCNC(=O)CO 240690a_100000212058_100000210174 [0,0,0,0,0,0|2,0,2]=4 27 B7R0.3 C#CCNC(=O)CO 527a_100000212058_100000210174 [0,0,0,0,0,0|2,0,2]=4 28 B7R0.3 C#CCNC(=O)NC 2708a_100000212058_106832991635 [0,0,0,0,0,0|2,0,2]=4 29 B7R0.3 C#CCNC(=O)NC 2708a_100102657272_100000212058 [0,0,0,0,0,0|2,0,2]=4 30 B7R0.3 C#CCNC(=O)NC 273464a_100000212058_100102657272 [0,0,0,0,0,0|2,0,2]=4 31 B7R0.3 C#CCNC(=O)NC 273464a_100102657272_100000212058 [0,0,0,0,0,0|2,0,2]=4 32 B7R0.3 C#CCNC(=O)NC 512a_100000212058_100102657272 [0,0,0,0,0,0|2,0,2]=4 33 B7R0.3 C#CCNC(=O)NC 512a_106832991638_100000212058 [0,0,0,0,0,0|2,0,2]=4 34 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [0,0,0,0,0,0|0,0,2]=2 35 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [0,0,0,0,0,0|1,0,2]=3 36 B7R0.3 C/C=C/CN(C)CC 269982a_100000225621_100102629194 [0,0,0,0,0,0|2,0,2]=4 37 B7R0.3 C=C(C#N)CNCC 2230a_100015525214_100000694840 [0,0,0,0,0,0|3,0,1]=4 38 B7R0.3 C=C(C#N)COCC 34a_100121572206_100000694840 [0,0,0,0,0,0|3,0,1]=4 39 B7R0.3 C=C(C#N)CSCC 62a_100000210202_100000694840 [0,0,0,0,0,0|3,0,1]=4 40 B7R0.3 C=CC(=O)C/C=C/C 1458a_100000185746_100102629194 [0,0,0,0,0,0|0,0,4]=4 41 B7R0.3 C=CC(=O)CC#CC 1458a_100000185746_100000748600 [0,0,0,0,0,0|0,0,4]=4 42 B7R0.3 C=CC(=O)CC=CC 1458a_100000185746_100000070051 [0,0,0,0,0,0|0,0,4]=4 43 B7R0.3 C=CC(=O)CCC#N 1458a_100000185746_100011215226 [0,0,0,0,0,0|1,0,3]=4 44 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [0,0,0,0,0,0|0,0,2]=2 45 B7R0.3 C=CC(=O)CCCF 1458a_100000185746_100011934791 [0,0,0,0,0,0|1,0,2]=3 46 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [0,0,0,0,0,0|1,0,2]=3 47 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [0,0,0,0,0,0|1,0,2]=3 48 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [0,0,0,0,0,0|1,0,2]=3 49 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [0,0,0,0,0,0|1,0,2]=3 50 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [0,0,0,0,0,0|1,0,2]=3 51 B7R0.3 C=CC(=O)NCCF 1626a_100000724931_100000185746 [0,0,0,0,0,0|2,0,2]=4 52 B7R0.3 C=CC(=O)NCCF 240690a_100000724931_200121576911 [0,0,0,0,0,0|2,0,2]=4 53 B7R0.3 C=CC(=O)NCCO 240690a_100000210304_200121576911 [0,0,0,0,0,0|2,0,2]=4 54 B7R0.3 C=CC(=O)NNCC 22a_100000756455_100000185746 [0,0,0,0,0,0|2,0,2]=4 55 B7R0.3 C=CC=CC(=O)CC 1458a_100016291481_100000210202 [0,0,0,0,0,0|0,0,4]=4 56 B7R0.3 C=CCCC(=O)C=C 1458a_100000185746_100000754431 [0,0,0,0,0,0|0,0,4]=4 57 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [0,0,0,0,0,0|0,0,2]=2 58 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [0,0,0,0,0,0|0,0,2]=2 59 B7R0.3 C=CCCC(=O)CF 1458a_100000749702_100015361967 [0,0,0,0,0,0|1,0,2]=3 60 B7R0.3 C=CCCC(=O)CO 1458a_100000210174_100000754431 [0,0,0,0,0,0|1,0,2]=3 61 B7R0.3 C=CCCC(=O)NC 11a_106832991635_100000749702 [0,0,0,0,0,0|1,0,2]=3 62 B7R0.3 C=CCCC(=O)NC 1626a_100102657272_100000749702 [0,0,0,0,0,0|1,0,2]=3 63 B7R0.3 C=CCCC(=O)NC 240690a_100102657272_100000749702 [0,0,0,0,0,0|1,0,2]=3 64 B7R0.3 C=CCCC(=O)NC 527a_100102657272_100000749702 [0,0,0,0,0,0|1,0,2]=3 65 B7R0.3 C=CCCN(C)CC 2230a_100000225621_100000754431 [0,0,0,0,0,0|2,0,2]=4 66 B7R0.3 C=CCCN(C)CC 2230a_100020639649_100000210202 [0,0,0,0,0,0|2,0,2]=4 67 B7R0.3 C=CCCN(C)CC 269982a_100000225621_100000754431 [0,0,0,0,0,0|2,0,2]=4 68 B7R0.3 C=CCCN(C)CC 269982a_100020639649_100000204670 [0,0,0,0,0,0|2,0,2]=4 69 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [0,0,0,0,0,0|1,0,2]=3 70 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [0,0,0,0,0,0|1,0,2]=3 71 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [0,0,0,0,0,0|1,0,2]=3 72 B7R0.3 C=CCNC(=O)CO 240690a_100020586998_100000210174 [0,0,0,0,0,0|2,0,2]=4 73 B7R0.3 C=CCNC(=O)CO 527a_100020586998_100000210174 [0,0,0,0,0,0|2,0,2]=4 74 B7R0.3 C=CCNC(=O)NC 2708a_100102657272_100020586998 [0,0,0,0,0,0|2,0,2]=4 75 B7R0.3 C=CCNC(=O)NC 273464a_100020586998_100102657272 [0,0,0,0,0,0|2,0,2]=4 76 B7R0.3 C=CCNC(=O)NC 273464a_100102657272_100020586998 [0,0,0,0,0,0|2,0,2]=4 77 B7R0.3 C=CCNC(=O)NC 512a_100020586998_100102657272 [0,0,0,0,0,0|2,0,2]=4 78 B7R0.3 C=CCNC(=O)NC 512a_106832991638_100020586998 [0,0,0,0,0,0|2,0,2]=4 79 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [0,0,0,0,0,0|0,0,2]=2 80 B7R0.3 CC#CCC(=O)CO 1458a_100000210174_100000748600 [0,0,0,0,0,0|1,0,2]=3 81 B7R0.3 CC#CCN(C)CC 2230a_100000225621_100000748600 [0,0,0,0,0,0|2,0,2]=4 82 B7R0.3 CC(CCCCl)O[13CH3] 34a_200000718107_200025704644 [0,0,0,0,0,0|3,0,1]=4 83 B7R0.3 CC(CCCCl)O[13CH3] 7a_200000718107_200025704644 [0,0,0,0,0,0|3,0,1]=4 84 B7R0.3 CC(CO)CCN[13CH3] 2230a_106354213184_200025704644 [0,0,0,0,0,0|3,0,1]=4 85 B7R0.3 CC(CO)CCN[13CH3] 34a_106354213184_200025704644 [0,0,0,0,0,0|3,0,1]=4 86 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [0,0,0,0,0,0|0,0,2]=2 87 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [0,0,0,0,0,0|0,0,2]=2 88 B7R0.3 CC=CCC(=O)CF 1458a_100121576822_100015361967 [0,0,0,0,0,0|1,0,2]=3 89 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [0,0,0,0,0,0|1,0,2]=3 90 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [0,0,0,0,0,0|1,0,2]=3 91 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [0,0,0,0,0,0|1,0,2]=3 92 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [0,0,0,0,0,0|1,0,2]=3 93 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [0,0,0,0,0,0|1,0,2]=3 94 B7R0.3 CC=CCN(C)CC 2230a_100000225621_100000070051 [0,0,0,0,0,0|2,0,2]=4 95 B7R0.3 CC=NNC(=O)CC 4a_100000183195_200000210099 [0,0,0,0,0,0|2,0,1]=3 96 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [0,0,0,0,0,0|0,0,2]=2 97 B7R0.3 CCC#CC(=O)CF 1458a_100011827653_100015361967 [0,0,0,0,0,0|1,0,2]=3 98 B7R0.3 CCC(=O)C#CCO 1458a_100000049017_100000210202 [0,0,0,0,0,0|1,0,2]=3 99 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [0,0,0,0,0,0|1,0,2]=3 100 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [0,0,0,0,0,0|1,0,1]=2 101 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [0,0,0,0,0,0|1,0,1]=2 102 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [0,0,0,0,0,0|1,0,0]=1 103 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [0,0,0,0,0,0|1,0,0]=1 104 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [0,0,0,0,0,0|1,0,0]=1 105 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [0,0,0,0,0,0|1,0,0]=1 106 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [0,0,0,0,0,0|1,0,0]=1 107 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [0,0,0,0,0,0|1,0,0]=1 108 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [0,0,0,0,0,0|2,0,0]=2 109 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [0,0,0,0,0,0|2,0,0]=2 110 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [0,0,0,0,0,0|2,0,0]=2 111 B7R0.3 CCC(=O)NCC#N 1626a_100000734998_100000210414 [0,0,0,0,0,0|2,0,1]=3 112 B7R0.3 CCC(=O)NCC#N 527a_100000734998_100000210414 [0,0,0,0,0,0|2,0,1]=3 113 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [0,0,0,0,0,0|2,0,0]=2 114 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [0,0,0,0,0,0|2,0,0]=2 115 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [0,0,0,0,0,0|2,0,0]=2 116 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [0,0,0,0,0,0|2,0,0]=2 117 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [0,0,0,0,0,0|2,0,0]=2 118 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [0,0,0,0,0,0|2,0,0]=2 119 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [0,0,0,0,0,0|2,0,1]=3 120 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [0,0,0,0,0,0|2,0,1]=3 121 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [0,0,0,0,0,0|2,0,1]=3 122 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [0,0,0,0,0,0|2,0,1]=3 123 B7R0.3 CCC(C)CSCF 62a_100000748023_100015361967 [0,0,0,0,0,0|3,0,1]=4 124 B7R0.3 CCC(C)CSCF 62a_100015361967_100000748023 [0,0,0,0,0,0|3,0,1]=4 125 B7R0.3 CCC(C)NCCF 2230a_100000209981_100011217306 [0,0,0,0,0,0|3,0,1]=4 126 B7R0.3 CCC(C)NCCF 34a_100000724931_100011215416 [0,0,0,0,0,0|3,0,1]=4 127 B7R0.3 CCC(C)NCCO 2230a_100000209981_100000211926 [0,0,0,0,0,0|3,0,1]=4 128 B7R0.3 CCC(C)NCCO 2230a_100016997473_100000758301 [0,0,0,0,0,0|3,0,1]=4 129 B7R0.3 CCC(C)NCCO 34a_100016990907_100011215416 [0,0,0,0,0,0|3,0,1]=4 130 B7R0.3 CCC(C)NCOC 2230a_100000209981_100000766300 [0,0,0,0,0,0|3,0,1]=4 131 B7R0.3 CCC(C)NCSC 2230a_100000209981_100011218213 [0,0,0,0,0,0|3,0,1]=4 132 B7R0.3 CCC(C)OCCBr 34a_100000211926_100011215416 [0,0,0,0,0,0|3,0,1]=4 133 B7R0.3 CCC(C)OCCF 7a_100000210228_100011217306 [0,0,0,0,0,0|3,0,1]=4 134 B7R0.3 CCC(C)OCCN 34a_100000210304_100011215416 [0,0,0,0,0,0|3,0,1]=4 135 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [0,0,0,0,0,0|3,0,1]=4 136 B7R0.3 CCC(C)SCCF 62a_100000758301_100011217306 [0,0,0,0,0,0|3,0,1]=4 137 B7R0.3 CCC(C)SCCF 62a_100011217306_100000758301 [0,0,0,0,0,0|3,0,1]=4 138 B7R0.3 CCC(C)SCCO 62a_100000211926_100000758301 [0,0,0,0,0,0|3,0,1]=4 139 B7R0.3 CCC(C)SCCO 62a_100000758301_100000211926 [0,0,0,0,0,0|3,0,1]=4 140 B7R0.3 CCC(C)SCOC 62a_100000758301_100000766300 [0,0,0,0,0,0|3,0,1]=4 141 B7R0.3 CCC(C)SCOC 62a_100000766300_100000758301 [0,0,0,0,0,0|3,0,1]=4 142 B7R0.3 CCC(C)SCSC 62a_100000758301_100011218213 [0,0,0,0,0,0|3,0,1]=4 143 B7R0.3 CCC(C)SCSC 62a_100011218213_100000758301 [0,0,0,0,0,0|3,0,1]=4 144 B7R0.3 CCC(O)CSCF 62a_100011218378_100015361967 [0,0,0,0,0,0|2,0,2]=4 145 B7R0.3 CCC(O)CSCF 62a_100015361967_100011218378 [0,0,0,0,0,0|2,0,2]=4 146 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [0,0,0,0,0,0|0,0,2]=2 147 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [0,0,0,0,0,0|1,0,2]=3 148 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [0,0,0,0,0,0|1,0,2]=3 149 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [0,0,0,0,0,0|1,0,2]=3 150 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [0,0,0,0,0,0|1,0,2]=3 151 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [0,0,0,0,0,0|0,0,0]=0 152 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [0,0,0,0,0,0|0,0,0]=0 153 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [0,0,0,0,0,0|1,0,0]=1 154 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [0,0,0,0,0,0|1,0,0]=1 155 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [0,0,0,0,0,0|1,0,0]=1 156 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [0,0,0,0,0,0|1,0,0]=1 157 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [0,0,0,0,0,0|1,0,0]=1 158 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [0,0,0,0,0,0|1,0,0]=1 159 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [0,0,0,0,0,0|2,0,1]=3 160 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [0,0,0,0,0,0|2,0,1]=3 161 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [0,0,0,0,0,0|2,0,1]=3 162 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [0,0,0,0,0,0|2,0,1]=3 163 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [0,0,0,0,0,0|2,0,1]=3 164 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [0,0,0,0,0,0|2,0,1]=3 165 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [0,0,0,0,0,0|2,0,1]=3 166 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [0,0,0,0,0,0|2,0,1]=3 167 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [0,0,0,0,0,0|2,0,1]=3 168 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [0,0,0,0,0,0|2,0,1]=3 169 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [0,0,0,0,0,0|2,0,1]=3 170 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [0,0,0,0,0,0|2,0,1]=3 171 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [0,0,0,0,0,0|2,0,1]=3 172 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [0,0,0,0,0,0|2,0,1]=3 173 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [0,0,0,0,0,0|2,0,1]=3 174 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [0,0,0,0,0,0|2,0,0]=2 175 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [0,0,0,0,0,0|2,0,0]=2 176 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [0,0,0,0,0,0|2,0,0]=2 177 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [0,0,0,0,0,0|2,0,0]=2 178 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [0,0,0,0,0,0|2,0,0]=2 179 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [0,0,0,0,0,0|2,0,0]=2 180 B7R0.3 CCCCN(C)CF 269982a_100000207549_100015361967 [0,0,0,0,0,0|3,0,0]=3 181 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [0,0,0,0,0,0|2,0,0]=2 182 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [0,0,0,0,0,0|2,0,0]=2 183 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [0,0,0,0,0,0|1,0,0]=1 184 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [0,0,0,0,0,0|1,0,0]=1 185 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [0,0,0,0,0,0|1,0,0]=1 186 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [0,0,0,0,0,0|1,0,0]=1 187 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [0,0,0,0,0,0|2,0,0]=2 188 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [0,0,0,0,0,0|2,0,0]=2 189 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [0,0,0,0,0,0|2,0,0]=2 190 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [0,0,0,0,0,0|2,0,0]=2 191 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [0,0,0,0,0,0|2,0,0]=2 192 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [0,0,0,0,0,0|2,0,0]=2 193 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [0,0,0,0,0,0|2,0,0]=2 194 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [0,0,0,0,0,0|2,0,0]=2 195 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [0,0,0,0,0,0|2,0,1]=3 196 B7R0.3 CCCN[C@H](C)CO 2230a_100000737577_100000210303 [0,0,0,0,0,0|3,0,1]=4 197 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [0,0,0,0,0,0|2,0,1]=3 198 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [0,0,0,0,0,0|2,0,1]=3 199 B7R0.3 CCCOC(C)CF 34a_100016041109_100000210303 [0,0,0,0,0,0|3,0,1]=4 200 B7R0.3 CCCOC(C)CF 7a_100016041109_100000210303 [0,0,0,0,0,0|3,0,1]=4 201 B7R0.3 CCCOC(C)CN 34a_100000210904_100000210303 [0,0,0,0,0,0|3,0,1]=4 202 B7R0.3 CCCOC(C)CO 34a_100000210258_100012180447 [0,0,0,0,0,0|3,0,1]=4 203 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [0,0,0,0,0,0|2,0,1]=3 204 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [0,0,0,0,0,0|2,0,1]=3 205 B7R0.3 CCCSC(C)CO 62a_100012180447_100000210303 [0,0,0,0,0,0|3,0,1]=4 206 B7R0.3 CCCSC(C)OC 62a_100000210303_100009879195 [0,0,0,0,0,0|3,0,1]=4 207 B7R0.3 CCCSC(C)OC 62a_100009879195_100000210303 [0,0,0,0,0,0|3,0,1]=4 208 B7R0.3 CCCS[C@H](C)CO 62a_100000210303_100016084084 [0,0,0,0,0,0|3,0,1]=4 209 B7R0.3 CCCS[C@H](C)CO 62a_100016084084_100000210303 [0,0,0,0,0,0|3,0,1]=4 210 B7R0.3 CCN(C)CCC#N 2230a_100000184479_100000210202 [0,0,0,0,0,0|3,0,1]=4 211 B7R0.3 CCN(C)CCC#N 2230a_100000225621_100011215226 [0,0,0,0,0,0|3,0,1]=4 212 B7R0.3 CCN(C)CCC#N 2230a_100000226048_200000210301 [0,0,0,0,0,0|3,0,1]=4 213 B7R0.3 CCN(C)CCC#N 269982a_100000225621_100011215226 [0,0,0,0,0,0|3,0,1]=4 214 B7R0.3 CCN(C)CCCF 2230a_100000225621_100011934791 [0,0,0,0,0,0|3,0,0]=3 215 B7R0.3 CCN(C)CCCF 269982a_100000225621_100011934791 [0,0,0,0,0,0|3,0,0]=3 216 B7R0.3 CCN(C)CCCO 2230a_100000213112_100000210202 [0,0,0,0,0,0|3,0,0]=3 217 B7R0.3 CCN(C)CCCO 2230a_100000225621_100000230001 [0,0,0,0,0,0|3,0,0]=3 218 B7R0.3 CCN(C)CCCO 269982a_100000213112_100000204670 [0,0,0,0,0,0|3,0,0]=3 219 B7R0.3 CCN(C)CCCO 269982a_100000225621_100011215043 [0,0,0,0,0,0|3,0,0]=3 220 B7R0.3 CCN(C)CCOC 2230a_100000225621_100011201679 [0,0,0,0,0,0|3,0,0]=3 221 B7R0.3 CCN(C)CCOC 2230a_100000731262_200000210301 [0,0,0,0,0,0|3,0,0]=3 222 B7R0.3 CCN(C)CCOC 2230a_100000743101_100000210202 [0,0,0,0,0,0|3,0,0]=3 223 B7R0.3 CCN(C)CCOC 269982a_100000225621_100000233755 [0,0,0,0,0,0|3,0,0]=3 224 B7R0.3 CCN(C)CCOC 269982a_100000731262_200000210301 [0,0,0,0,0,0|3,0,0]=3 225 B7R0.3 CCN(C)CCOC 269982a_100000743101_100000204670 [0,0,0,0,0,0|3,0,0]=3 226 B7R0.3 CCN(C)CCSC 2230a_100000225621_100000751147 [0,0,0,0,0,0|3,0,0]=3 227 B7R0.3 CCN(C)CCSC 2230a_100000686725_100000210202 [0,0,0,0,0,0|3,0,0]=3 228 B7R0.3 CCN(C)CCSC 269982a_100000225621_100000212216 [0,0,0,0,0,0|3,0,0]=3 229 B7R0.3 CCN(C)CCSC 269982a_100000686725_100000204670 [0,0,0,0,0,0|3,0,0]=3 230 B7R0.3 CCN([13CH3])CCC#N 2230a_100000226048_200025704644 [0,0,0,0,0,0|3,0,1]=4 231 B7R0.3 CCN([13CH3])CCOC 2230a_100000731262_200025704644 [0,0,0,0,0,0|3,0,0]=3 232 B7R0.3 CCN([13CH3])CCOC 269982a_100000731262_200025704644 [0,0,0,0,0,0|3,0,0]=3 233 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [0,0,0,0,0,0|2,0,0]=2 234 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [0,0,0,0,0,0|2,0,0]=2 235 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [0,0,0,0,0,0|2,0,0]=2 236 B7R0.3 CCNCC(C)CC 2230a_100015525214_100000748023 [0,0,0,0,0,0|2,0,1]=3 237 B7R0.3 CCNCC(C)CC 2230a_100020588543_100000210202 [0,0,0,0,0,0|2,0,1]=3 238 B7R0.3 CCNCC(C)CC 270004a_100015525214_100000243153 [0,0,0,0,0,0|2,0,1]=3 239 B7R0.3 CCNCC(C)CO 34a_100000744482_100000210202 [0,0,0,0,0,0|3,0,1]=4 240 B7R0.3 CCNCC(O)CC 2230a_100011218483_100000210202 [0,0,0,0,0,0|1,0,2]=3 241 B7R0.3 CCNCC(O)CC 2230a_100015525214_100011218378 [0,0,0,0,0,0|1,0,2]=3 242 B7R0.3 CCNCC(O)CO 2230a_100015525214_100011219619 [0,0,0,0,0,0|2,0,2]=4 243 B7R0.3 CCNC[C@@H](C)CC 2230a_100015525214_100009816398 [0,0,0,0,0,0|2,0,1]=3 244 B7R0.3 CCNC[C@@H](C)CO 2230a_100015525214_100000059175 [0,0,0,0,0,0|3,0,1]=4 245 B7R0.3 CCNC[C@@H](C)OC 2230a_100020591295_100000210202 [0,0,0,0,0,0|3,0,1]=4 246 B7R0.3 CCNC[C@@H](F)CO 34a_100015665980_100000210202 [0,0,0,0,0,0|3,0,1]=4 247 B7R0.3 CCNC[C@@H](O)CF 2230a_100015525214_100015614560 [0,0,0,0,0,0|2,0,2]=4 248 B7R0.3 CCNC[C@@H](O)CO 2230a_100015525214_100009815848 [0,0,0,0,0,0|2,0,2]=4 249 B7R0.3 CCNC[C@H](O)CO 2230a_100020644852_100000210202 [0,0,0,0,0,0|2,0,2]=4 250 B7R0.3 CCNN=C(C)CF 4a_100000756455_100000039719 [0,0,0,0,0,0|4,0,0]=4 251 B7R0.3 CCNN=C(C)CO 4a_100000756455_100000211253 [0,0,0,0,0,0|4,0,0]=4 252 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [0,0,0,0,0,0|2,0,0]=2 253 B7R0.3 CCNNC(=O)CO 22a_100000756455_100000210174 [0,0,0,0,0,0|3,0,0]=3 254 B7R0.3 CCNNC(=O)NC 273464a_100102657272_100000756455 [0,0,0,0,0,0|3,0,0]=3 255 B7R0.3 CCNNC(=O)NC 512a_100000756455_100102657272 [0,0,0,0,0,0|3,0,0]=3 256 B7R0.3 CCNNC(=O)NC 512a_106832991638_100000756455 [0,0,0,0,0,0|3,0,0]=3 257 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [0,0,0,0,0,0|1,0,0]=1 258 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [0,0,0,0,0,0|1,0,0]=1 259 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [0,0,0,0,0,0|2,0,0]=2 260 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [0,0,0,0,0,0|2,0,0]=2 261 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [0,0,0,0,0,0|2,0,0]=2 262 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [0,0,0,0,0,0|2,0,0]=2 263 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [0,0,0,0,0,0|2,0,0]=2 264 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [0,0,0,0,0,0|2,0,0]=2 265 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [0,0,0,0,0,0|2,0,0]=2 266 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [0,0,0,0,0,0|2,0,0]=2 267 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [0,0,0,0,0,0|2,0,1]=3 268 B7R0.3 CCOCC(C)CN 34a_100000744482_100000210202 [0,0,0,0,0,0|3,0,1]=4 269 B7R0.3 CCOCC(C)OC 34a_100000690652_100000210202 [0,0,0,0,0,0|3,0,1]=4 270 B7R0.3 CCOCC(C)OC 34a_100000718985_200000210301 [0,0,0,0,0,0|3,0,1]=4 271 B7R0.3 CCOCC(C)OC 7a_100000718985_200000210301 [0,0,0,0,0,0|3,0,1]=4 272 B7R0.3 CCOCC(C)O[13CH3] 34a_100000718985_200025704644 [0,0,0,0,0,0|3,0,1]=4 273 B7R0.3 CCOCC(C)O[13CH3] 7a_100000718985_200025704644 [0,0,0,0,0,0|3,0,1]=4 274 B7R0.3 CCOCC(Cl)CCl 34a_100000033668_100000210202 [0,0,0,0,0,0|3,0,1]=4 275 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [0,0,0,0,0,0|1,0,2]=3 276 B7R0.3 CCOCC(O)CO 34a_100121572206_100011219619 [0,0,0,0,0,0|2,0,2]=4 277 B7R0.3 CCOCN(C)CC 269982a_100000225621_100000739092 [0,0,0,0,0,0|3,0,0]=3 278 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [0,0,0,0,0,0|2,0,1]=3 279 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [0,0,0,0,0,0|2,0,1]=3 280 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [0,0,0,0,0,0|3,0,1]=4 281 B7R0.3 CCOC[C@@H](O)CF 34a_100121572206_100015614560 [0,0,0,0,0,0|2,0,2]=4 282 B7R0.3 CCOC[C@@H](O)CO 34a_100121572206_100009815848 [0,0,0,0,0,0|2,0,2]=4 283 B7R0.3 CCOC[C@H](F)CN 34a_100015665980_100000210202 [0,0,0,0,0,0|3,0,1]=4 284 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [0,0,0,0,0,0|1,0,0]=1 285 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [0,0,0,0,0,0|1,0,0]=1 286 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [0,0,0,0,0,0|1,0,0]=1 287 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [0,0,0,0,0,0|2,0,0]=2 288 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [0,0,0,0,0,0|2,0,0]=2 289 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [0,0,0,0,0,0|2,0,0]=2 290 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [0,0,0,0,0,0|2,0,0]=2 291 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [0,0,0,0,0,0|2,0,0]=2 292 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [0,0,0,0,0,0|2,0,0]=2 293 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [0,0,0,0,0,0|2,0,0]=2 294 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [0,0,0,0,0,0|2,0,0]=2 295 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [0,0,0,0,0,0|2,0,0]=2 296 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [0,0,0,0,0,0|2,0,1]=3 297 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [0,0,0,0,0,0|2,0,1]=3 298 B7R0.3 CCSCC(C)NC 270004a_106832991635_200011216171 [0,0,0,0,0,0|3,0,1]=4 299 B7R0.3 CCSCC(O)CC 62a_100000210202_100011218378 [0,0,0,0,0,0|1,0,2]=3 300 B7R0.3 CCSCC(O)CC 62a_100011218378_100000210202 [0,0,0,0,0,0|1,0,2]=3 301 B7R0.3 CCSCC(O)CO 62a_100000210202_100011219619 [0,0,0,0,0,0|2,0,2]=4 302 B7R0.3 CCSCC(O)CO 62a_100011219619_100000210202 [0,0,0,0,0,0|2,0,2]=4 303 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [0,0,0,0,0,0|2,0,1]=3 304 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [0,0,0,0,0,0|2,0,1]=3 305 B7R0.3 CCSC[C@@H](C)CO 62a_100000059175_100000210202 [0,0,0,0,0,0|3,0,1]=4 306 B7R0.3 CCSC[C@@H](C)CO 62a_100000210202_100000059175 [0,0,0,0,0,0|3,0,1]=4 307 B7R0.3 CCSC[C@@H](O)CF 62a_100000210202_100015614560 [0,0,0,0,0,0|2,0,2]=4 308 B7R0.3 CCSC[C@@H](O)CF 62a_100015614560_100000210202 [0,0,0,0,0,0|2,0,2]=4 309 B7R0.3 CCSC[C@@H](O)CO 62a_100000210202_100009815848 [0,0,0,0,0,0|2,0,2]=4 310 B7R0.3 CCSC[C@@H](O)CO 62a_100009815848_100000210202 [0,0,0,0,0,0|2,0,2]=4 311 B7R0.3 CC[C@H](C)COCF 7a_100009816381_100015361967 [0,0,0,0,0,0|3,0,1]=4 312 B7R0.3 CC[C@H](C)CSCF 62a_100009816398_100015361967 [0,0,0,0,0,0|3,0,1]=4 313 B7R0.3 CC[C@H](C)CSCF 62a_100015361967_100009816398 [0,0,0,0,0,0|3,0,1]=4 314 B7R0.3 CN(CF)CCCO 269982a_100000213112_100015361967 [0,0,0,0,0,0|4,0,0]=4 315 B7R0.3 CNC(=O)C=COC 1626a_100102657272_100016268678 [0,0,0,0,0,0|2,0,2]=4 316 B7R0.3 CNC(=O)C=COC 240690a_100102657272_100016268678 [0,0,0,0,0,0|2,0,2]=4 317 B7R0.3 CNC(=O)CCC#N 11a_106832991635_100011934036 [0,0,0,0,0,0|2,0,1]=3 318 B7R0.3 CNC(=O)CCC#N 1626a_100102657272_100011934036 [0,0,0,0,0,0|2,0,1]=3 319 B7R0.3 CNC(=O)CCC#N 240690a_100102657272_100011934036 [0,0,0,0,0,0|2,0,1]=3 320 B7R0.3 CNC(=O)CCC#N 527a_100102657272_100011934036 [0,0,0,0,0,0|2,0,1]=3 321 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [0,0,0,0,0,0|2,0,0]=2 322 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [0,0,0,0,0,0|2,0,0]=2 323 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [0,0,0,0,0,0|2,0,0]=2 324 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [0,0,0,0,0,0|2,0,0]=2 325 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [0,0,0,0,0,0|2,0,0]=2 326 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [0,0,0,0,0,0|2,0,0]=2 327 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [0,0,0,0,0,0|2,0,0]=2 328 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [0,0,0,0,0,0|2,0,0]=2 329 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [0,0,0,0,0,0|2,0,0]=2 330 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [0,0,0,0,0,0|2,0,0]=2 331 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [0,0,0,0,0,0|2,0,0]=2 332 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [0,0,0,0,0,0|2,0,0]=2 333 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [0,0,0,0,0,0|2,0,0]=2 334 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [0,0,0,0,0,0|2,0,0]=2 335 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [0,0,0,0,0,0|2,0,0]=2 336 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [0,0,0,0,0,0|2,0,0]=2 337 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [0,0,0,0,0,0|2,0,0]=2 338 B7R0.3 CNC(=O)CN=[N+]=[N-] 11a_106832991635_100000751907 [0,0,0,0,0,0|4,0,0]=4 339 B7R0.3 CNC(=O)CN=[N+]=[N-] 240690a_100102657272_100000751907 [0,0,0,0,0,0|4,0,0]=4 340 B7R0.3 CNC(=O)COCF 34a_100000750040_100015361967 [0,0,0,0,0,0|3,0,0]=3 341 B7R0.3 CNC(=O)CSCF 62a_100000183359_100015361967 [0,0,0,0,0,0|3,0,0]=3 342 B7R0.3 CNC(=O)CSCF 62a_100015361967_100000183359 [0,0,0,0,0,0|3,0,0]=3 343 B7R0.3 CNC(=O)NCC#N 2708a_100000734998_106832991635 [0,0,0,0,0,0|3,0,1]=4 344 B7R0.3 CNC(=O)NCC#N 273464a_100000734998_100102657272 [0,0,0,0,0,0|3,0,1]=4 345 B7R0.3 CNC(=O)NCC#N 273464a_100102657272_100000734998 [0,0,0,0,0,0|3,0,1]=4 346 B7R0.3 CNC(=O)NCC#N 512a_100000734998_100102657272 [0,0,0,0,0,0|3,0,1]=4 347 B7R0.3 CNC(=O)NCC#N 512a_106832991638_100000734998 [0,0,0,0,0,0|3,0,1]=4 348 B7R0.3 CNC(=O)NCCF 2708a_100102657272_100000724931 [0,0,0,0,0,0|3,0,0]=3 349 B7R0.3 CNC(=O)NCCF 273464a_100000724931_100102657272 [0,0,0,0,0,0|3,0,0]=3 350 B7R0.3 CNC(=O)NCCF 273464a_100102657272_100000724931 [0,0,0,0,0,0|3,0,0]=3 351 B7R0.3 CNC(=O)NCCF 512a_106832991638_100000724931 [0,0,0,0,0,0|3,0,0]=3 352 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [0,0,0,0,0,0|3,0,0]=3 353 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [0,0,0,0,0,0|3,0,0]=3 354 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [0,0,0,0,0,0|3,0,0]=3 355 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [0,0,0,0,0,0|3,0,0]=3 356 B7R0.3 CNC(C)CCOC 270004a_106832991635_100000742357 [0,0,0,0,0,0|3,0,1]=4 357 B7R0.3 CNC(C)CCSC 270004a_106832991635_100011217047 [0,0,0,0,0,0|3,0,1]=4 358 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [0,0,0,0,0,0|2,0,0]=2 359 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [0,0,0,0,0,0|2,0,0]=2 360 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [0,0,0,0,0,0|2,0,0]=2 361 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [0,0,0,0,0,0|2,0,0]=2 362 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [0,0,0,0,0,0|2,0,0]=2 363 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [0,0,0,0,0,0|2,0,0]=2 364 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [0,0,0,0,0,0|2,0,0]=2 365 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [0,0,0,0,0,0|2,0,0]=2 366 B7R0.3 CNCCC(C)CO 2230a_106354213184_200000210301 [0,0,0,0,0,0|3,0,1]=4 367 B7R0.3 CNCCC(C)CO 34a_106354213184_200000210301 [0,0,0,0,0,0|3,0,1]=4 368 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [0,0,0,0,0,0|2,0,0]=2 369 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [0,0,0,0,0,0|2,0,0]=2 370 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [0,0,0,0,0,0|2,0,0]=2 371 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [0,0,0,0,0,0|2,0,0]=2 372 B7R0.3 COC(=O)CSCF 62a_100000747449_100015361967 [0,0,0,0,0,0|3,0,0]=3 373 B7R0.3 COC(=O)CSCF 62a_100015361967_100000747449 [0,0,0,0,0,0|3,0,0]=3 374 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [0,0,0,0,0,0|3,0,0]=3 375 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [0,0,0,0,0,0|3,0,0]=3 376 B7R0.3 COC(C)CCCCl 34a_200000718107_200000210301 [0,0,0,0,0,0|3,0,1]=4 377 B7R0.3 COC(C)CCCCl 7a_200000718107_200000210301 [0,0,0,0,0,0|3,0,1]=4 378 B7R0.3 COC(C)CCO[13CH3] 7a_100000764861_200025704644 [0,0,0,0,0,0|3,0,1]=4 379 B7R0.3 COC=CC(=O)CF 1458a_100016268678_100015361967 [0,0,0,0,0,0|2,0,2]=4 380 B7R0.3 COCCC(=NO)N 34a_100000749954_200000210301 [0,0,0,0,0,0|4,0,0]=4 381 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [0,0,0,0,0,0|2,0,0]=2 382 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [0,0,0,0,0,0|2,0,0]=2 383 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [0,0,0,0,0,0|2,0,0]=2 384 B7R0.3 COCCC(C)OC 7a_100000764861_200000210301 [0,0,0,0,0,0|3,0,1]=4 385 B7R0.3 COCCN(C)CF 269982a_100000743101_100015361967 [0,0,0,0,0,0|4,0,0]=4 386 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [0,0,0,0,0,0|2,0,0]=2 387 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [0,0,0,0,0,0|2,0,0]=2 388 B7R0.3 CSCCN(C)CF 269982a_100000686725_100015361967 [0,0,0,0,0,0|4,0,0]=4 389 B7R0.3 N#CCCC(=O)CF 1458a_100011934036_100015361967 [0,0,0,0,0,0|2,0,1]=3 390 B7R0.3 N#CCCC(=O)CO 1458a_100000210174_100011215226 [0,0,0,0,0,0|2,0,1]=3 391 B7R0.3 N#CCNC(=O)CO 527a_100000734998_100000210174 [0,0,0,0,0,0|3,0,1]=4 392 B7R0.3 O=C(C#CCO)CF 1458a_100000049017_100015361967 [0,0,0,0,0,0|2,0,2]=4 393 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [0,0,0,0,0,0|2,0,0]=2 394 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [0,0,0,0,0,0|2,0,0]=2 395 B7R0.3 O=C(CO)NCCF 240690a_100000724931_100000210174 [0,0,0,0,0,0|3,0,0]=3 396 B7R0.3 O=C(CO)NCCF 527a_100000724931_100000210174 [0,0,0,0,0,0|3,0,0]=3 397 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [0,0,0,0,0,0|3,0,0]=3 398 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [0,0,0,0,0,0|3,0,0]=3 399 B7R0.3 [13CH3]OCCC(=NO)N 34a_100000749954_200025704644 [0,0,0,0,0,0|4,0,0]=4 400 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [1,0,0,0,0,0|0,0,2]=3 401 B6R0.1 C#CC(=O)CCF 1458a_100000211873_100011217306 [1,0,0,0,0,0|1,0,2]=4 402 B6R0.1 C#CC(=O)CCO 1458a_100000211873_100000211926 [1,0,0,0,0,0|1,0,2]=4 403 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [1,0,0,0,0,0|0,0,2]=3 404 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [1,0,0,0,0,0|0,0,2]=3 405 B6R0.1 C#CCC(=O)CF 1458a_100011220946_100015361967 [1,0,0,0,0,0|1,0,2]=4 406 B6R0.1 C#CCC(=O)CO 1458a_100000210174_100000184674 [1,0,0,0,0,0|1,0,2]=4 407 B6R0.1 C#CCC(=O)NC 1626a_100102657272_100011220946 [1,0,0,0,0,0|1,0,2]=4 408 B6R0.1 C#CCC(=O)NC 527a_100102657272_100011220946 [1,0,0,0,0,0|1,0,2]=4 409 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [1,0,0,0,0,0|0,0,2]=3 410 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [1,0,0,0,0,0|1,0,2]=4 411 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [1,0,0,0,0,0|1,0,2]=4 412 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [1,0,0,0,0,0|1,0,2]=4 413 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [1,0,0,0,0,0|0,0,2]=3 414 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [1,0,0,0,0,0|0,0,2]=3 415 B6R0.1 C=CCC(=O)CF 1458a_100000210193_100015361967 [1,0,0,0,0,0|1,0,2]=4 416 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [1,0,0,0,0,0|1,0,2]=4 417 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [1,0,0,0,0,0|1,0,2]=4 418 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [1,0,0,0,0,0|1,0,2]=4 419 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [1,0,0,0,0,0|1,0,2]=4 420 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [1,0,0,0,0,0|1,0,2]=4 421 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [1,0,0,0,0,0|0,0,2]=3 422 B6R0.1 CC#CC(=O)CF 1458a_100000763181_100015361967 [1,0,0,0,0,0|1,0,2]=4 423 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [1,0,0,0,0,0|0,0,2]=3 424 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [1,0,0,0,0,0|1,0,2]=4 425 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [1,0,0,0,0,0|1,0,2]=4 426 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [1,0,0,0,0,0|1,0,2]=4 427 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [1,0,0,0,0,0|1,0,2]=4 428 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [1,0,0,0,0,0|1,0,2]=4 429 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [1,0,0,0,0,0|1,0,2]=4 430 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [1,0,0,0,0,0|1,0,2]=4 431 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [1,0,0,0,0,0|1,0,1]=3 432 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [1,0,0,0,0,0|1,0,1]=3 433 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [1,0,0,0,0,0|1,0,0]=2 434 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [1,0,0,0,0,0|1,0,0]=2 435 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [1,0,0,0,0,0|1,0,0]=2 436 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [1,0,0,0,0,0|1,0,0]=2 437 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [1,0,0,0,0,0|1,0,0]=2 438 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [1,0,0,0,0,0|1,0,0]=2 439 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [1,0,0,0,0,0|1,0,0]=2 440 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [1,0,0,0,0,0|1,0,0]=2 441 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [1,0,0,0,0,0|1,0,0]=2 442 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [1,0,0,0,0,0|1,0,0]=2 443 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [1,0,0,0,0,0|1,0,0]=2 444 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [1,0,0,0,0,0|1,0,0]=2 445 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [1,0,0,0,0,0|2,0,0]=3 446 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [1,0,0,0,0,0|2,0,1]=4 447 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [1,0,0,0,0,0|2,0,1]=4 448 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [1,0,0,0,0,0|2,0,1]=4 449 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [1,0,0,0,0,0|2,0,1]=4 450 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [1,0,0,0,0,0|2,0,1]=4 451 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [1,0,0,0,0,0|2,0,1]=4 452 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [1,0,0,0,0,0|2,0,1]=4 453 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [1,0,0,0,0,0|2,0,1]=4 454 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [1,0,0,0,0,0|2,0,1]=4 455 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [1,0,0,0,0,0|2,0,1]=4 456 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [1,0,0,0,0,0|2,0,1]=4 457 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [1,0,0,0,0,0|1,0,2]=4 458 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [1,0,0,0,0,0|1,0,2]=4 459 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [1,0,0,0,0,0|1,0,2]=4 460 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [1,0,0,0,0,0|1,0,2]=4 461 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [1,0,0,0,0,0|1,0,2]=4 462 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [1,0,0,0,0,0|1,0,2]=4 463 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [1,0,0,0,0,0|1,0,2]=4 464 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [1,0,0,0,0,0|1,0,2]=4 465 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [1,0,0,0,0,0|1,0,2]=4 466 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [1,0,0,0,0,0|1,0,2]=4 467 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [1,0,0,0,0,0|0,0,0]=1 468 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [1,0,0,0,0,0|0,0,0]=1 469 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [1,0,0,0,0,0|1,0,0]=2 470 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [1,0,0,0,0,0|1,0,0]=2 471 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [1,0,0,0,0,0|1,0,0]=2 472 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [1,0,0,0,0,0|1,0,0]=2 473 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [1,0,0,0,0,0|1,0,0]=2 474 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [1,0,0,0,0,0|1,0,0]=2 475 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [1,0,0,0,0,0|2,0,1]=4 476 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [1,0,0,0,0,0|2,0,1]=4 477 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [1,0,0,0,0,0|2,0,1]=4 478 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [1,0,0,0,0,0|2,0,1]=4 479 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [1,0,0,0,0,0|2,0,1]=4 480 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [1,0,0,0,0,0|2,0,1]=4 481 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [1,0,0,0,0,0|2,0,1]=4 482 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [1,0,0,0,0,0|2,0,1]=4 483 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [1,0,0,0,0,0|2,0,1]=4 484 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [1,0,0,0,0,0|2,0,1]=4 485 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [1,0,0,0,0,0|2,0,1]=4 486 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [1,0,0,0,0,0|2,0,1]=4 487 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [1,0,0,0,0,0|2,0,1]=4 488 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [1,0,0,0,0,0|2,0,1]=4 489 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [1,0,0,0,0,0|2,0,1]=4 490 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [1,0,0,0,0,0|2,0,0]=3 491 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [1,0,0,0,0,0|2,0,0]=3 492 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [1,0,0,0,0,0|2,0,0]=3 493 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [1,0,0,0,0,0|2,0,0]=3 494 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [1,0,0,0,0,0|2,0,0]=3 495 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [1,0,0,0,0,0|2,0,0]=3 496 B6R0.1 CCCN(C)CF 269982a_100000747261_100015361967 [1,0,0,0,0,0|3,0,0]=4 497 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [1,0,0,0,0,0|2,0,0]=3 498 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [1,0,0,0,0,0|2,0,0]=3 499 B6R0.1 CCN(C)CCF 2230a_100000225621_100011217306 [1,0,0,0,0,0|3,0,0]=4 500 B6R0.1 CCN(C)CCF 269982a_100000225621_100011217306 [1,0,0,0,0,0|3,0,0]=4 501 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [1,0,0,0,0,0|3,0,0]=4 502 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [1,0,0,0,0,0|3,0,0]=4 503 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [1,0,0,0,0,0|3,0,0]=4 504 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [1,0,0,0,0,0|3,0,0]=4 505 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [1,0,0,0,0,0|3,0,0]=4 506 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [1,0,0,0,0,0|3,0,0]=4 507 B6R0.1 CCN(C)COC 2230a_100000225621_100000766300 [1,0,0,0,0,0|3,0,0]=4 508 B6R0.1 CCN(C)COC 269982a_100000225621_100000766300 [1,0,0,0,0,0|3,0,0]=4 509 B6R0.1 CCN(C)CSC 2230a_100000225621_100011218213 [1,0,0,0,0,0|3,0,0]=4 510 B6R0.1 CCN(C)CSC 269982a_100000225621_100011218213 [1,0,0,0,0,0|3,0,0]=4 511 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [1,0,0,0,0,0|3,0,0]=4 512 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [1,0,0,0,0,0|3,0,0]=4 513 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [1,0,0,0,0,0|1,0,0]=2 514 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [1,0,0,0,0,0|1,0,0]=2 515 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [1,0,0,0,0,0|1,0,0]=2 516 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [1,0,0,0,0,0|2,0,0]=3 517 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [1,0,0,0,0,0|2,0,0]=3 518 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [1,0,0,0,0,0|2,0,0]=3 519 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [1,0,0,0,0,0|2,0,0]=3 520 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [1,0,0,0,0,0|2,0,0]=3 521 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [1,0,0,0,0,0|2,0,0]=3 522 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [1,0,0,0,0,0|2,0,0]=3 523 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [1,0,0,0,0,0|2,0,0]=3 524 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [1,0,0,0,0,0|2,0,1]=4 525 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [1,0,0,0,0,0|2,0,1]=4 526 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [1,0,0,0,0,0|2,0,1]=4 527 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [1,0,0,0,0,0|2,0,1]=4 528 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [1,0,0,0,0,0|2,0,1]=4 529 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [1,0,0,0,0,0|2,0,1]=4 530 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [1,0,0,0,0,0|2,0,1]=4 531 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [1,0,0,0,0,0|2,0,1]=4 532 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [1,0,0,0,0,0|2,0,1]=4 533 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [1,0,0,0,0,0|2,0,1]=4 534 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [1,0,0,0,0,0|2,0,1]=4 535 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [1,0,0,0,0,0|2,0,1]=4 536 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [1,0,0,0,0,0|2,0,1]=4 537 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [1,0,0,0,0,0|2,0,1]=4 538 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [1,0,0,0,0,0|2,0,1]=4 539 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [1,0,0,0,0,0|2,0,1]=4 540 B6R0.1 CNC(=O)CC#N 1626a_100102657272_100051588842 [1,0,0,0,0,0|2,0,1]=4 541 B6R0.1 CNC(=O)CC#N 240690a_100102657272_100051588842 [1,0,0,0,0,0|2,0,1]=4 542 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [1,0,0,0,0,0|2,0,0]=3 543 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [1,0,0,0,0,0|2,0,0]=3 544 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [1,0,0,0,0,0|2,0,0]=3 545 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [1,0,0,0,0,0|2,0,0]=3 546 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [1,0,0,0,0,0|2,0,0]=3 547 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [1,0,0,0,0,0|2,0,0]=3 548 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [1,0,0,0,0,0|2,0,0]=3 549 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [1,0,0,0,0,0|2,0,0]=3 550 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [1,0,0,0,0,0|2,0,0]=3 551 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [1,0,0,0,0,0|2,0,0]=3 552 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [1,0,0,0,0,0|2,0,0]=3 553 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [1,0,0,0,0,0|2,0,0]=3 554 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [1,0,0,0,0,0|2,0,0]=3 555 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [1,0,0,0,0,0|2,0,0]=3 556 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [1,0,0,0,0,0|2,0,0]=3 557 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [1,0,0,0,0,0|2,0,0]=3 558 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [1,0,0,0,0,0|2,0,0]=3 559 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [1,0,0,0,0,0|2,0,0]=3 560 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [1,0,0,0,0,0|2,0,0]=3 561 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [1,0,0,0,0,0|2,0,0]=3 562 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [1,0,0,0,0,0|2,0,0]=3 563 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [1,0,0,0,0,0|2,0,0]=3 564 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [1,0,0,0,0,0|2,0,0]=3 565 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [1,0,0,0,0,0|2,0,0]=3 566 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [1,0,0,0,0,0|3,0,0]=4 567 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [1,0,0,0,0,0|3,0,0]=4 568 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [1,0,0,0,0,0|3,0,0]=4 569 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [1,0,0,0,0,0|3,0,0]=4 570 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [1,0,0,0,0,0|2,0,0]=3 571 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [1,0,0,0,0,0|2,0,0]=3 572 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [1,0,0,0,0,0|2,0,0]=3 573 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [1,0,0,0,0,0|2,0,0]=3 574 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [1,0,0,0,0,0|2,0,0]=3 575 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [1,0,0,0,0,0|2,0,0]=3 576 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [1,0,0,0,0,0|2,0,0]=3 577 B6R0.1 N#CCC(=O)CF 1458a_100051588842_100015361967 [1,0,0,0,0,0|2,0,1]=4 578 B6R0.1 N#CCC(=O)CO 1458a_100000210174_100011214920 [1,0,0,0,0,0|2,0,1]=4 579 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [1,0,0,0,0,0|2,0,0]=3 580 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [1,0,0,0,0,0|2,0,0]=3 581 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [1,0,0,0,0,0|2,0,0]=3 582 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [1,0,0,0,0,0|0,0,2]=3 583 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [1,0,0,0,0,0|0,0,2]=3 584 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [1,0,0,0,0,0|0,0,2]=3 585 B6R0.4 C#CCNC(=O)C 11a_100000212058_100015343762 [1,0,0,0,0,0|1,0,2]=4 586 B6R0.4 C#CCNC(=O)C 1626a_100000212058_100015343762 [1,0,0,0,0,0|1,0,2]=4 587 B6R0.4 C#CCNC(=O)C 240690a_100000212058_100015343762 [1,0,0,0,0,0|1,0,2]=4 588 B6R0.4 C#CCNC(=O)C 527a_100000212058_100103153847 [1,0,0,0,0,0|1,0,2]=4 589 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,0,0,0,0,0|0,0,2]=3 590 B6R0.4 C=C(Br)CCOC 34a_100009813270_200000210301 [1,0,0,0,0,0|2,0,1]=4 591 B6R0.4 C=C(Br)CCO[13CH3] 34a_100009813270_200025704644 [1,0,0,0,0,0|2,0,1]=4 592 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [1,0,0,0,0,0|2,0,0]=3 593 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [1,0,0,0,0,0|2,0,0]=3 594 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [1,0,0,0,0,0|2,0,0]=3 595 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [1,0,0,0,0,0|2,0,0]=3 596 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [1,0,0,0,0,0|2,0,0]=3 597 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [1,0,0,0,0,0|2,0,0]=3 598 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [1,0,0,0,0,0|2,0,0]=3 599 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [1,0,0,0,0,0|2,0,0]=3 600 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [1,0,0,0,0,0|2,0,0]=3 601 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [1,0,0,0,0,0|2,0,0]=3 602 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [1,0,0,0,0,0|2,0,0]=3 603 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [1,0,0,0,0,0|2,0,0]=3 604 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [1,0,0,0,0,0|2,0,0]=3 605 B6R0.4 C=C(C)COCF 34a_100000210245_100015361967 [1,0,0,0,0,0|3,0,0]=4 606 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [1,0,0,0,0,0|2,0,0]=3 607 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [1,0,0,0,0,0|2,0,0]=3 608 B6R0.4 C=C(C)CSCF 62a_100000748629_100015361967 [1,0,0,0,0,0|3,0,0]=4 609 B6R0.4 C=C(C)CSCF 62a_100015361967_100000211660 [1,0,0,0,0,0|3,0,0]=4 610 B6R0.4 C=C(F)CNCC 2230a_100015525214_100009893438 [1,0,0,0,0,0|2,0,1]=4 611 B6R0.4 C=C(F)COCC 34a_100121572206_100009893438 [1,0,0,0,0,0|2,0,1]=4 612 B6R0.4 C=C(F)COCC 34a_200010262243_100000210202 [1,0,0,0,0,0|2,0,1]=4 613 B6R0.4 C=C(F)CSCC 62a_100000042424_100000210202 [1,0,0,0,0,0|2,0,1]=4 614 B6R0.4 C=C(F)CSCC 62a_100000210202_100000042424 [1,0,0,0,0,0|2,0,1]=4 615 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [1,0,0,0,0,0|0,0,2]=3 616 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [1,0,0,0,0,0|0,0,2]=3 617 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [1,0,0,0,0,0|0,0,2]=3 618 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [1,0,0,0,0,0|1,0,2]=4 619 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [1,0,0,0,0,0|1,0,2]=4 620 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [1,0,0,0,0,0|1,0,2]=4 621 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [1,0,0,0,0,0|0,0,2]=3 622 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [1,0,0,0,0,0|2,0,1]=4 623 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [1,0,0,0,0,0|2,0,1]=4 624 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [1,0,0,0,0,0|2,0,1]=4 625 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [1,0,0,0,0,0|2,0,1]=4 626 B6R0.4 CC(=O)C#CCO 1458a_100000049017_200000210301 [1,0,0,0,0,0|1,0,2]=4 627 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [1,0,0,0,0,0|1,0,1]=3 628 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [1,0,0,0,0,0|1,0,1]=3 629 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [1,0,0,0,0,0|1,0,0]=2 630 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,0,0,0,0,0|1,0,0]=2 631 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,0,0,0,0,0|1,0,0]=2 632 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,0,0,0,0,0|1,0,0]=2 633 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,0,0,0,0,0|1,0,0]=2 634 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,0,0,0,0,0|1,0,0]=2 635 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [1,0,0,0,0,0|2,0,0]=3 636 B6R0.4 CC(=O)NCC#N 1626a_100000734998_100015343762 [1,0,0,0,0,0|2,0,1]=4 637 B6R0.4 CC(=O)NCC#N 527a_100000734998_100103153847 [1,0,0,0,0,0|2,0,1]=4 638 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [1,0,0,0,0,0|2,0,0]=3 639 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [1,0,0,0,0,0|2,0,0]=3 640 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [1,0,0,0,0,0|2,0,0]=3 641 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [1,0,0,0,0,0|2,0,0]=3 642 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,0,0,0,0,0|2,0,0]=3 643 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,0,0,0,0,0|2,0,0]=3 644 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [1,0,0,0,0,0|2,0,0]=3 645 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [1,0,0,0,0,0|2,0,0]=3 646 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [1,0,0,0,0,0|2,0,1]=4 647 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [1,0,0,0,0,0|2,0,1]=4 648 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [1,0,0,0,0,0|2,0,1]=4 649 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [1,0,0,0,0,0|2,0,1]=4 650 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [1,0,0,0,0,0|2,0,1]=4 651 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [1,0,0,0,0,0|1,0,2]=4 652 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [1,0,0,0,0,0|1,0,2]=4 653 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [1,0,0,0,0,0|1,0,2]=4 654 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,0,0,0,0,0|0,0,2]=3 655 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,0,0,0,0,0|0,0,2]=3 656 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,0,0,0,0,0|0,0,2]=3 657 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [1,0,0,0,0,0|2,0,1]=4 658 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [1,0,0,0,0,0|0,0,2]=3 659 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [1,0,0,0,0,0|0,0,2]=3 660 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,0,0,0,0,0|0,0,2]=3 661 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,0,0,0,0,0|0,0,2]=3 662 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,0,0,0,0,0|0,0,0]=1 663 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,0,0,0,0,0|0,0,0]=1 664 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,0,0,0,0,0|0,0,0]=1 665 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [1,0,0,0,0,0|2,0,0]=3 666 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [1,0,0,0,0,0|2,0,0]=3 667 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [1,0,0,0,0,0|2,0,0]=3 668 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [1,0,0,0,0,0|2,0,0]=3 669 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [1,0,0,0,0,0|2,0,0]=3 670 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [1,0,0,0,0,0|2,0,0]=3 671 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,0,0,0,0,0|1,0,0]=2 672 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,0,0,0,0,0|1,0,0]=2 673 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,0,0,0,0,0|1,0,0]=2 674 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,0,0,0,0,0|1,0,0]=2 675 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [1,0,0,0,0,0|2,0,1]=4 676 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [1,0,0,0,0,0|2,0,1]=4 677 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [1,0,0,0,0,0|2,0,1]=4 678 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [1,0,0,0,0,0|2,0,1]=4 679 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [1,0,0,0,0,0|2,0,1]=4 680 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [1,0,0,0,0,0|2,0,1]=4 681 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [1,0,0,0,0,0|2,0,0]=3 682 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [1,0,0,0,0,0|2,0,0]=3 683 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,0,0,0,0,0|2,0,0]=3 684 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [1,0,0,0,0,0|2,0,1]=4 685 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [1,0,0,0,0,0|2,0,1]=4 686 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [1,0,0,0,0,0|2,0,1]=4 687 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [1,0,0,0,0,0|2,0,1]=4 688 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [1,0,0,0,0,0|1,0,2]=4 689 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [1,0,0,0,0,0|1,0,2]=4 690 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [1,0,0,0,0,0|1,0,2]=4 691 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [1,0,0,0,0,0|1,0,2]=4 692 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [1,0,0,0,0,0|2,0,0]=3 693 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,0,0,0,0,0|1,0,0]=2 694 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,0,0,0,0,0|1,0,0]=2 695 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [1,0,0,0,0,0|2,0,0]=3 696 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,0,0,0,0,0|1,0,0]=2 697 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [1,0,0,0,0,0|2,0,0]=3 698 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [1,0,0,0,0,0|2,0,1]=4 699 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [1,0,0,0,0,0|2,0,1]=4 700 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [1,0,0,0,0,0|2,0,1]=4 701 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [1,0,0,0,0,0|2,0,1]=4 702 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [1,0,0,0,0,0|1,0,2]=4 703 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [1,0,0,0,0,0|3,0,0]=4 704 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [1,0,0,0,0,0|2,0,1]=4 705 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [1,0,0,0,0,0|2,0,1]=4 706 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [1,0,0,0,0,0|1,0,2]=4 707 B6R0.4 CCOC[N+](=O)[O-] 34a_100121572206_100000761209 [1,0,0,0,0,0|3,0,0]=4 708 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,0,0,0,0,0|1,0,0]=2 709 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [1,0,0,0,0,0|2,0,0]=3 710 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [1,0,0,0,0,0|2,0,0]=3 711 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,0,0,0,0,0|1,0,0]=2 712 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [1,0,0,0,0,0|2,0,0]=3 713 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [1,0,0,0,0,0|2,0,0]=3 714 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [1,0,0,0,0,0|2,0,1]=4 715 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [1,0,0,0,0,0|2,0,1]=4 716 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [1,0,0,0,0,0|1,0,2]=4 717 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [1,0,0,0,0,0|1,0,2]=4 718 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [1,0,0,0,0,0|1,0,2]=4 719 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [1,0,0,0,0,0|1,0,2]=4 720 B6R0.4 CCSC[N+](=O)[O-] 62a_100000210202_100000761209 [1,0,0,0,0,0|3,0,0]=4 721 B6R0.4 CN(C)CCCF 2230a_100102631434_100011934791 [1,0,0,0,0,0|3,0,0]=4 722 B6R0.4 CN(C)CCCF 269982a_100102631434_100011934791 [1,0,0,0,0,0|3,0,0]=4 723 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [1,0,0,0,0,0|3,0,0]=4 724 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [1,0,0,0,0,0|3,0,0]=4 725 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [1,0,0,0,0,0|3,0,0]=4 726 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [1,0,0,0,0,0|3,0,0]=4 727 B6R0.4 CN(C)CCS[13CH3] 62a_200025704644_100000755713 [1,0,0,0,0,0|3,0,0]=4 728 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [1,0,0,0,0,0|3,0,0]=4 729 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [1,0,0,0,0,0|3,0,0]=4 730 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [1,0,0,0,0,0|2,0,1]=4 731 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [1,0,0,0,0,0|2,0,1]=4 732 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [1,0,0,0,0,0|2,0,1]=4 733 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [1,0,0,0,0,0|2,0,1]=4 734 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,0,0,0,0,0|1,0,0]=2 735 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [1,0,0,0,0,0|2,0,0]=3 736 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [1,0,0,0,0,0|2,0,0]=3 737 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [1,0,0,0,0,0|2,0,0]=3 738 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [1,0,0,0,0,0|2,0,1]=4 739 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [1,0,0,0,0,0|2,0,1]=4 740 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [1,0,0,0,0,0|2,0,1]=4 741 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [1,0,0,0,0,0|2,0,1]=4 742 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [1,0,0,0,0,0|1,0,2]=4 743 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [1,0,0,0,0,0|1,0,2]=4 744 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [1,0,0,0,0,0|1,0,2]=4 745 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [1,0,0,0,0,0|1,0,2]=4 746 B6R0.4 CNCCN(C)C 7a_106832991635_100000755713 [1,0,0,0,0,0|3,0,0]=4 747 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [1,0,0,0,0,0|2,0,0]=3 748 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [1,0,0,0,0,0|3,0,0]=4 749 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [1,0,0,0,0,0|1,0,2]=4 750 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [1,0,0,0,0,0|1,0,2]=4 751 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [1,0,0,0,0,0|2,0,1]=4 752 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [1,0,0,0,0,0|2,0,1]=4 753 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,0,0,0,0,0|1,0,0]=2 754 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,0,0,0,0,0|1,0,0]=2 755 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,0,0,0,0,0|1,0,0]=2 756 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,0,0,0,0,0|1,0,0]=2 757 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [1,0,0,0,0,0|2,0,0]=3 758 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [1,0,0,0,0,0|2,0,0]=3 759 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [1,0,0,0,0,0|2,0,0]=3 760 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,0,0,0,0,0|1,0,0]=2 761 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [1,0,0,0,0,0|2,0,1]=4 762 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [1,0,0,0,0,0|2,0,1]=4 763 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [1,0,0,0,0,0|2,0,1]=4 764 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [1,0,0,0,0,0|2,0,1]=4 765 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [1,0,0,0,0,0|1,0,2]=4 766 B6R0.4 COCCN(C)C 2230a_100000743101_200000210301 [1,0,0,0,0,0|3,0,0]=4 767 B6R0.4 COCCN(C)C 2230a_100102631434_100011201679 [1,0,0,0,0,0|3,0,0]=4 768 B6R0.4 COCCN(C)C 269982a_100000743101_200000210301 [1,0,0,0,0,0|3,0,0]=4 769 B6R0.4 COCCN(C)C 269982a_100102631434_100000233755 [1,0,0,0,0,0|3,0,0]=4 770 B6R0.4 COCCN(C)[13CH3] 2230a_100000743101_200025704644 [1,0,0,0,0,0|3,0,0]=4 771 B6R0.4 COCCN(C)[13CH3] 269982a_100000743101_200025704644 [1,0,0,0,0,0|3,0,0]=4 772 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [1,0,0,0,0,0|2,0,1]=4 773 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [1,0,0,0,0,0|2,0,0]=3 774 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [1,0,0,0,0,0|2,0,1]=4 775 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [1,0,0,0,0,0|2,0,1]=4 776 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,0,0,0,0,0|1,0,0]=2 777 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,0,0,0,0,0|1,0,0]=2 778 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,0,0,0,0,0|1,0,0]=2 779 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,0,0,0,0,0|1,0,0]=2 780 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [1,0,0,0,0,0|2,0,0]=3 781 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [1,0,0,0,0,0|2,0,0]=3 782 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,0,0,0,0,0|1,0,0]=2 783 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [1,0,0,0,0,0|2,0,1]=4 784 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [1,0,0,0,0,0|2,0,1]=4 785 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [1,0,0,0,0,0|1,0,2]=4 786 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [1,0,0,0,0,0|1,0,2]=4 787 B6R0.4 CSCCN(C)C 2230a_100000686725_200000210301 [1,0,0,0,0,0|3,0,0]=4 788 B6R0.4 CSCCN(C)C 2230a_100102631434_100000751147 [1,0,0,0,0,0|3,0,0]=4 789 B6R0.4 CSCCN(C)C 269982a_100000686725_200000210301 [1,0,0,0,0,0|3,0,0]=4 790 B6R0.4 CSCCN(C)C 269982a_100102631434_100000212216 [1,0,0,0,0,0|3,0,0]=4 791 B6R0.4 CSCCN(C)C 62a_200000210301_100000755713 [1,0,0,0,0,0|3,0,0]=4 792 B6R0.4 CSCCN(C)[13CH3] 2230a_100000686725_200025704644 [1,0,0,0,0,0|3,0,0]=4 793 B6R0.4 CSCCN(C)[13CH3] 269982a_100000686725_200025704644 [1,0,0,0,0,0|3,0,0]=4 794 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [1,0,0,0,0,0|2,0,0]=3 795 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [1,0,0,0,0,0|2,0,0]=3 796 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [1,0,0,0,0,0|2,0,1]=4 797 B6R0.4 NC(=O)CSCF 62a_100000747473_100015361967 [1,0,0,0,0,0|3,0,0]=4 798 B6R0.4 NC(=O)CSCF 62a_100015361967_100000747473 [1,0,0,0,0,0|3,0,0]=4 799 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [1,0,0,0,0,0|3,0,0]=4 800 B6R0.4 O=C([O-])CSCF 62a_100015361967_100020667443 [1,0,0,0,0,0|3,0,0]=4 801 B6R0.4 O=C([O-])CSCF 62a_100020667443_100015361967 [1,0,0,0,0,0|3,0,0]=4 802 B6R0.4 [13CH3]C(=O)C#CCO 1458a_100000049017_200025704644 [1,0,0,0,0,0|1,0,2]=4 803 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [1,0,0,0,0,0|1,0,1]=3 804 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [1,0,0,0,0,0|3,0,0]=4 805 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [1,0,0,0,0,0|2,0,0]=3 806 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [1,0,0,0,0,0|2,0,0]=3 807 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [1,0,0,0,0,0|2,0,0]=3 808 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [1,0,0,0,0,0|2,0,0]=3 809 B6R0.6 C#CCCNCC 2230a_100015525214_100000688953 [1,0,0,0,0,0|1,0,2]=4 810 B6R0.6 C#CCCNCC 34a_100000755551_100000210202 [1,0,0,0,0,0|1,0,2]=4 811 B6R0.6 C#CCCOCC 34a_100011215631_100000210202 [1,0,0,0,0,0|1,0,2]=4 812 B6R0.6 C#CCCOCC 34a_100121572206_100000688953 [1,0,0,0,0,0|1,0,2]=4 813 B6R0.6 C#CCCSCC 62a_100000210202_100000688953 [1,0,0,0,0,0|1,0,2]=4 814 B6R0.6 C#CCCSCC 62a_100000688953_100000210202 [1,0,0,0,0,0|1,0,2]=4 815 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [1,0,0,0,0,0|1,0,1]=3 816 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [1,0,0,0,0,0|1,0,1]=3 817 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [1,0,0,0,0,0|1,0,1]=3 818 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [1,0,0,0,0,0|1,0,1]=3 819 B6R0.6 C/C=C/COCF 34a_100016270725_100015361967 [1,0,0,0,0,0|2,0,1]=4 820 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [1,0,0,0,0,0|1,0,1]=3 821 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [1,0,0,0,0,0|1,0,1]=3 822 B6R0.6 C/C=C/CSCF 62a_100015361967_100102629194 [1,0,0,0,0,0|2,0,1]=4 823 B6R0.6 C/C=C/CSCF 62a_100102629194_100015361967 [1,0,0,0,0,0|2,0,1]=4 824 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [1,0,0,0,0,0|1,0,2]=4 825 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [1,0,0,0,0,0|1,0,2]=4 826 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [1,0,0,0,0,0|1,0,2]=4 827 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [1,0,0,0,0,0|1,0,2]=4 828 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [1,0,0,0,0,0|1,0,2]=4 829 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [1,0,0,0,0,0|1,0,2]=4 830 B6R0.6 CC#CCCOC 34a_100000750427_200000210301 [1,0,0,0,0,0|1,0,2]=4 831 B6R0.6 CC#CCCO[13CH3] 34a_100000750427_200025704644 [1,0,0,0,0,0|1,0,2]=4 832 B6R0.6 CC#CCNCC 2230a_100000685387_100000210202 [1,0,0,0,0,0|1,0,2]=4 833 B6R0.6 CC#CCNCC 2230a_100015525214_100000748600 [1,0,0,0,0,0|1,0,2]=4 834 B6R0.6 CC#CCNCC 34a_100000685387_100000210202 [1,0,0,0,0,0|1,0,2]=4 835 B6R0.6 CC#CCOCC 34a_100000761923_100000210202 [1,0,0,0,0,0|1,0,2]=4 836 B6R0.6 CC#CCOCC 34a_100121572206_100000748600 [1,0,0,0,0,0|1,0,2]=4 837 B6R0.6 CC#CCSCC 62a_100000210202_100000748600 [1,0,0,0,0,0|1,0,2]=4 838 B6R0.6 CC#CCSCC 62a_100000748600_100000210202 [1,0,0,0,0,0|1,0,2]=4 839 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [1,0,0,0,0,0|1,0,1]=3 840 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [1,0,0,0,0,0|1,0,1]=3 841 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [1,0,0,0,0,0|1,0,1]=3 842 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [1,0,0,0,0,0|1,0,1]=3 843 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [1,0,0,0,0,0|1,0,1]=3 844 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [1,0,0,0,0,0|1,0,1]=3 845 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [1,0,0,0,0,0|1,0,1]=3 846 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [1,0,0,0,0,0|1,0,1]=3 847 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [1,0,0,0,0,0|1,0,1]=3 848 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [1,0,0,0,0,0|1,0,1]=3 849 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [1,0,0,0,0,0|1,0,1]=3 850 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [1,0,0,0,0,0|1,0,1]=3 851 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [1,0,0,0,0,0|1,0,1]=3 852 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [1,0,0,0,0,0|1,0,1]=3 853 B6R0.6 CC=CCSCF 62a_100000070051_100015361967 [1,0,0,0,0,0|2,0,1]=4 854 B6R0.6 CC=CCSCF 62a_100015361967_100000070051 [1,0,0,0,0,0|2,0,1]=4 855 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [1,0,0,0,0,0|2,0,1]=4 856 B6R0.6 CCC#CCNC 2230a_106832991635_100009813939 [1,0,0,0,0,0|1,0,2]=4 857 B6R0.6 CCC#CCNC 34a_100102657272_100009813939 [1,0,0,0,0,0|1,0,2]=4 858 B6R0.6 CCC#CCNC 7a_106832991635_100009813939 [1,0,0,0,0,0|1,0,2]=4 859 B6R0.6 CCC#CCOC 34a_100000032950_200000210301 [1,0,0,0,0,0|1,0,2]=4 860 B6R0.6 CCC#CCOC 34a_100138415774_100009813939 [1,0,0,0,0,0|1,0,2]=4 861 B6R0.6 CCC#CCO[13CH3] 34a_100000032950_200025704644 [1,0,0,0,0,0|1,0,2]=4 862 B6R0.6 CCC#CCSC 62a_100009813939_200000210301 [1,0,0,0,0,0|1,0,2]=4 863 B6R0.6 CCC#CCSC 62a_200000210301_100009813939 [1,0,0,0,0,0|1,0,2]=4 864 B6R0.6 CCC#CCS[13CH3] 62a_100009813939_200025704644 [1,0,0,0,0,0|1,0,2]=4 865 B6R0.6 CCC#CCS[13CH3] 62a_200025704644_100009813939 [1,0,0,0,0,0|1,0,2]=4 866 B6R0.6 CCC=NNCC 4a_100000756455_100000210100 [1,0,0,0,0,0|2,0,0]=3 867 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [1,0,0,0,0,0|1,0,1]=3 868 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [1,0,0,0,0,0|1,0,1]=3 869 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [1,0,0,0,0,0|1,0,1]=3 870 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [1,0,0,0,0,0|1,0,1]=3 871 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [1,0,0,0,0,0|1,0,1]=3 872 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [1,0,0,0,0,0|1,0,1]=3 873 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [1,0,0,0,0,0|1,0,1]=3 874 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [1,0,0,0,0,0|1,0,1]=3 875 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [1,0,0,0,0,0|1,0,1]=3 876 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [1,0,0,0,0,0|1,0,1]=3 877 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [1,0,0,0,0,0|1,0,1]=3 878 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [1,0,0,0,0,0|1,0,1]=3 879 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [1,0,0,0,0,0|1,0,1]=3 880 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [1,0,0,0,0,0|1,0,1]=3 881 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [1,0,0,0,0,0|1,0,0]=2 882 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [1,0,0,0,0,0|1,0,0]=2 883 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [1,0,0,0,0,0|1,0,0]=2 884 B6R0.6 CCCCNCF 7a_106832991798_100015361967 [1,0,0,0,0,0|2,0,0]=3 885 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [1,0,0,0,0,0|1,0,0]=2 886 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [1,0,0,0,0,0|1,0,0]=2 887 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [1,0,0,0,0,0|1,0,0]=2 888 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [1,0,0,0,0,0|2,0,0]=3 889 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [1,0,0,0,0,0|2,0,0]=3 890 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [1,0,0,0,0,0|1,0,0]=2 891 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [1,0,0,0,0,0|1,0,0]=2 892 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [1,0,0,0,0,0|2,0,0]=3 893 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [1,0,0,0,0,0|2,0,0]=3 894 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [1,0,0,0,0,0|2,0,1]=4 895 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [1,0,0,0,0,0|2,0,1]=4 896 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [1,0,0,0,0,0|2,0,1]=4 897 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [1,0,0,0,0,0|2,0,1]=4 898 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [1,0,0,0,0,0|1,0,1]=3 899 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [1,0,0,0,0,0|2,0,1]=4 900 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [1,0,0,0,0,0|2,0,1]=4 901 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [1,0,0,0,0,0|2,0,1]=4 902 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [1,0,0,0,0,0|2,0,1]=4 903 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [1,0,0,0,0,0|1,0,1]=3 904 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [1,0,0,0,0,0|2,0,1]=4 905 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [1,0,0,0,0,0|2,0,1]=4 906 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [1,0,0,0,0,0|2,0,1]=4 907 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [1,0,0,0,0,0|2,0,1]=4 908 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [1,0,0,0,0,0|2,0,1]=4 909 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [1,0,0,0,0,0|2,0,1]=4 910 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [1,0,0,0,0,0|2,0,1]=4 911 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [1,0,0,0,0,0|2,0,1]=4 912 B6R0.6 CCNCCC#N 2230a_100015525214_100011215226 [1,0,0,0,0,0|2,0,1]=4 913 B6R0.6 CCNCCCF 2230a_100015189416_100000210202 [1,0,0,0,0,0|2,0,0]=3 914 B6R0.6 CCNCCCF 2230a_100015525214_100011934791 [1,0,0,0,0,0|2,0,0]=3 915 B6R0.6 CCNCCCF 34a_100015189416_100000210202 [1,0,0,0,0,0|2,0,0]=3 916 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [1,0,0,0,0,0|2,0,0]=3 917 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [1,0,0,0,0,0|2,0,0]=3 918 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [1,0,0,0,0,0|2,0,0]=3 919 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [1,0,0,0,0,0|2,0,0]=3 920 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [1,0,0,0,0,0|2,0,0]=3 921 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [1,0,0,0,0,0|2,0,0]=3 922 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [1,0,0,0,0,0|2,0,0]=3 923 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [1,0,0,0,0,0|2,0,0]=3 924 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [1,0,0,0,0,0|2,0,0]=3 925 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [1,0,0,0,0,0|2,0,0]=3 926 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [1,0,0,0,0,0|2,0,0]=3 927 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [1,0,0,0,0,0|2,0,0]=3 928 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [1,0,0,0,0,0|2,0,0]=3 929 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [1,0,0,0,0,0|2,0,0]=3 930 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [1,0,0,0,0,0|2,0,0]=3 931 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [1,0,0,0,0,0|2,0,0]=3 932 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [1,0,0,0,0,0|2,0,0]=3 933 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [1,0,0,0,0,0|2,0,0]=3 934 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [1,0,0,0,0,0|2,0,0]=3 935 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [1,0,0,0,0,0|2,0,0]=3 936 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [1,0,0,0,0,0|2,0,0]=3 937 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [1,0,0,0,0,0|2,0,0]=3 938 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [1,0,0,0,0,0|2,0,0]=3 939 B6R0.6 CCOCCON 34a_100000700252_100000210202 [1,0,0,0,0,0|3,0,0]=4 940 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [1,0,0,0,0,0|2,0,0]=3 941 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [1,0,0,0,0,0|2,0,0]=3 942 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [1,0,0,0,0,0|2,0,0]=3 943 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [1,0,0,0,0,0|2,0,0]=3 944 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [1,0,0,0,0,0|2,0,0]=3 945 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [1,0,0,0,0,0|2,0,0]=3 946 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [1,0,0,0,0,0|2,0,0]=3 947 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [1,0,0,0,0,0|2,0,0]=3 948 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [1,0,0,0,0,0|2,0,0]=3 949 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [1,0,0,0,0,0|2,0,0]=3 950 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [1,0,0,0,0,0|2,0,0]=3 951 B6R0.6 CCOCSCF 62a_100000739092_100015361967 [1,0,0,0,0,0|3,0,0]=4 952 B6R0.6 CCOCSCF 62a_100015361967_100000739092 [1,0,0,0,0,0|3,0,0]=4 953 B6R0.6 CCSCCC#N 62a_100000210202_100011215226 [1,0,0,0,0,0|2,0,1]=4 954 B6R0.6 CCSCCC#N 62a_100011215226_100000210202 [1,0,0,0,0,0|2,0,1]=4 955 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [1,0,0,0,0,0|2,0,0]=3 956 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [1,0,0,0,0,0|2,0,0]=3 957 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [1,0,0,0,0,0|2,0,0]=3 958 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [1,0,0,0,0,0|2,0,0]=3 959 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [1,0,0,0,0,0|2,0,0]=3 960 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [1,0,0,0,0,0|2,0,0]=3 961 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [1,0,0,0,0,0|2,0,0]=3 962 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [1,0,0,0,0,0|2,0,0]=3 963 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [1,0,0,0,0,0|2,0,0]=3 964 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [1,0,0,0,0,0|2,0,0]=3 965 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [1,0,0,0,0,0|2,0,0]=3 966 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [1,0,0,0,0,0|2,0,0]=3 967 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [1,0,0,0,0,0|2,0,0]=3 968 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [1,0,0,0,0,0|2,0,0]=3 969 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [1,0,0,0,0,0|2,0,0]=3 970 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [1,0,0,0,0,0|2,0,0]=3 971 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [1,0,0,0,0,0|2,0,0]=3 972 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [1,0,0,0,0,0|2,0,0]=3 973 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [1,0,0,0,0,0|2,0,0]=3 974 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [1,0,0,0,0,0|2,0,0]=3 975 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [1,0,0,0,0,0|2,0,0]=3 976 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [1,0,0,0,0,0|2,0,0]=3 977 B6R0.6 CNCCCCF 2230a_106832991635_100000729493 [1,0,0,0,0,0|2,0,1]=4 978 B6R0.6 CNCCCCF 34a_100102657272_100000729493 [1,0,0,0,0,0|2,0,1]=4 979 B6R0.6 CNCCCCF 7a_106832991635_100000729493 [1,0,0,0,0,0|2,0,1]=4 980 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [1,0,0,0,0,0|2,0,1]=4 981 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [1,0,0,0,0,0|2,0,1]=4 982 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [1,0,0,0,0,0|2,0,1]=4 983 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [1,0,0,0,0,0|2,0,1]=4 984 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [1,0,0,0,0,0|2,0,1]=4 985 B6R0.6 CNCCCOC 2230a_106832991635_100000740836 [1,0,0,0,0,0|2,0,1]=4 986 B6R0.6 CNCCCOC 34a_100000213112_200000210301 [1,0,0,0,0,0|2,0,1]=4 987 B6R0.6 CNCCCOC 34a_100102657272_100000740836 [1,0,0,0,0,0|2,0,1]=4 988 B6R0.6 CNCCCOC 34a_100150723488_200000210301 [1,0,0,0,0,0|2,0,1]=4 989 B6R0.6 CNCCCOC 7a_106832991635_100000740836 [1,0,0,0,0,0|2,0,1]=4 990 B6R0.6 CNCCCO[13CH3] 34a_100000213112_200025704644 [1,0,0,0,0,0|2,0,1]=4 991 B6R0.6 CNCCCSC 2230a_100000749238_200000210301 [1,0,0,0,0,0|2,0,1]=4 992 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [1,0,0,0,0,0|2,0,1]=4 993 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [1,0,0,0,0,0|2,0,1]=4 994 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [1,0,0,0,0,0|2,0,1]=4 995 B6R0.6 COCCCCF 34a_100011995726_200000210301 [1,0,0,0,0,0|2,0,1]=4 996 B6R0.6 COCCCCF 34a_100138415774_100000729493 [1,0,0,0,0,0|2,0,1]=4 997 B6R0.6 COCCCCF 7a_100011995726_200000210301 [1,0,0,0,0,0|2,0,1]=4 998 B6R0.6 COCCCCI 34a_200012148704_200000210301 [1,0,0,0,0,0|2,0,1]=4 999 B6R0.6 COCCCCN 34a_100000750430_200000210301 [1,0,0,0,0,0|2,0,1]=4 1000 B6R0.6 COCCCCO 34a_100138415774_100011216708 [1,0,0,0,0,0|2,0,1]=4 1001 B6R0.6 COCCCN[13CH3] 34a_100150723488_200025704644 [1,0,0,0,0,0|2,0,1]=4 1002 B6R0.6 COCCCOC 34a_100000740835_200000210301 [1,0,0,0,0,0|2,0,1]=4 1003 B6R0.6 COCCCOC 34a_100138415774_100000740836 [1,0,0,0,0,0|2,0,1]=4 1004 B6R0.6 COCCCO[13CH3] 34a_100000740835_200025704644 [1,0,0,0,0,0|2,0,1]=4 1005 B6R0.6 COCCCSC 34a_100000690336_200000210301 [1,0,0,0,0,0|2,0,1]=4 1006 B6R0.6 COCCCSC 62a_100000709357_200000210301 [1,0,0,0,0,0|2,0,1]=4 1007 B6R0.6 COCCCSC 62a_200000210301_100000709357 [1,0,0,0,0,0|2,0,1]=4 1008 B6R0.6 COCCCSC 7a_100000690336_200000210301 [1,0,0,0,0,0|2,0,1]=4 1009 B6R0.6 COCCCS[13CH3] 62a_100000709357_200025704644 [1,0,0,0,0,0|2,0,1]=4 1010 B6R0.6 COCCCS[13CH3] 62a_200025704644_100000709357 [1,0,0,0,0,0|2,0,1]=4 1011 B6R0.6 COCCOCF 34a_100000210237_100015361967 [1,0,0,0,0,0|3,0,0]=4 1012 B6R0.6 COCCSCF 62a_100000233755_100015361967 [1,0,0,0,0,0|3,0,0]=4 1013 B6R0.6 COCCSCF 62a_100015361967_100000233755 [1,0,0,0,0,0|3,0,0]=4 1014 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [1,0,0,0,0,0|2,0,1]=4 1015 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [1,0,0,0,0,0|2,0,1]=4 1016 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [1,0,0,0,0,0|2,0,1]=4 1017 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [1,0,0,0,0,0|2,0,1]=4 1018 B6R0.6 CSCCCN[13CH3] 2230a_100000749238_200025704644 [1,0,0,0,0,0|2,0,1]=4 1019 B6R0.6 CSCCCO[13CH3] 34a_100000690336_200025704644 [1,0,0,0,0,0|2,0,1]=4 1020 B6R0.6 CSCCCO[13CH3] 7a_100000690336_200025704644 [1,0,0,0,0,0|2,0,1]=4 1021 B6R0.6 CSCCOCF 34a_100000230434_100015361967 [1,0,0,0,0,0|3,0,0]=4 1022 B6R0.6 CSCCOCF 7a_100000230434_100015361967 [1,0,0,0,0,0|3,0,0]=4 1023 B6R0.6 CSCCSCF 62a_100000212216_100015361967 [1,0,0,0,0,0|3,0,0]=4 1024 B6R0.6 CSCCSCF 62a_100015361967_100000751147 [1,0,0,0,0,0|3,0,0]=4 1025 B6R0.6 FCCCNCF 34a_100015189416_100015361967 [1,0,0,0,0,0|3,0,0]=4 1026 B6R0.6 FCCCOCF 34a_100000759539_100015361967 [1,0,0,0,0,0|3,0,0]=4 1027 B6R0.6 FCCCSCF 62a_100011934791_100015361967 [1,0,0,0,0,0|3,0,0]=4 1028 B6R0.6 FCCCSCF 62a_100015361967_100011934791 [1,0,0,0,0,0|3,0,0]=4 1029 B6R0.6 FCOCCCBr 34a_100011217188_100015361967 [1,0,0,0,0,0|3,0,0]=4 1030 B6R0.6 FCOCCCCl 34a_100000230001_100015361967 [1,0,0,0,0,0|3,0,0]=4 1031 B6R0.6 NCCCOCF 34a_100000182051_100015361967 [1,0,0,0,0,0|3,0,0]=4 1032 B6R0.6 OCCCSCF 62a_100011215043_100015361967 [1,0,0,0,0,0|3,0,0]=4 1033 B6R0.6 OCCCSCF 62a_100015361967_100011215043 [1,0,0,0,0,0|3,0,0]=4 1034 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [1,0,0,0,0,0|2,0,1]=4 1035 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [1,0,0,0,0,0|2,0,1]=4 1036 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [1,0,0,0,0,0|2,0,1]=4 1037 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [1,0,0,0,0,0|2,0,1]=4 1038 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [1,0,0,0,0,0|2,0,1]=4 1039 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [1,0,0,0,0,0|2,0,1]=4 1040 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [1,0,0,0,0,0|2,0,1]=4 1041 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [1,0,0,0,0,0|2,0,1]=4 1042 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [1,0,0,0,0,0|2,0,1]=4 1043 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [1,0,0,0,0,0|2,0,1]=4 1044 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [1,0,0,0,0,0|2,0,1]=4 1045 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [1,0,0,0,0,0|2,0,1]=4 1046 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [1,0,0,0,0,0|2,0,1]=4 1047 B8R0.1 C#CCC(=O)C#CCC 1458a_100011827653_100000184674 [0,1,0,0,0,0|0,0,3]=4 1048 B8R0.1 C#CCC(=O)C/C=C/C 1458a_100011220946_100102629194 [0,1,0,0,0,0|0,0,3]=4 1049 B8R0.1 C#CCC(=O)C=CCC 1458a_100000212282_100000184674 [0,1,0,0,0,0|0,0,3]=4 1050 B8R0.1 C#CCC(=O)CC#CC 1458a_100011220946_100000748600 [0,1,0,0,0,0|0,0,3]=4 1051 B8R0.1 C#CCC(=O)CC=CC 1458a_100011220946_100000070051 [0,1,0,0,0,0|0,0,3]=4 1052 B8R0.1 C#CCC(=O)CC=CC 1458a_100121576822_100000184674 [0,1,0,0,0,0|0,0,3]=4 1053 B8R0.1 C#CCC(=O)CCC#N 1458a_100011220946_100011215226 [0,1,0,0,0,0|1,0,2]=4 1054 B8R0.1 C#CCC(=O)CCC#N 1458a_100011934036_100000184674 [0,1,0,0,0,0|1,0,2]=4 1055 B8R0.1 C#CCC(=O)CCC=C 1458a_100000749702_100000184674 [0,1,0,0,0,0|0,0,3]=4 1056 B8R0.1 C#CCC(=O)CCC=C 1458a_100011220946_100000754431 [0,1,0,0,0,0|0,0,3]=4 1057 B8R0.1 C#CCC(=O)CCCC 1458a_100000210183_100000184674 [0,1,0,0,0,0|0,0,1]=2 1058 B8R0.1 C#CCC(=O)CCCC 1458a_100011220946_100000210211 [0,1,0,0,0,0|0,0,1]=2 1059 B8R0.1 C#CCC(=O)CCCF 1458a_100011220946_100011934791 [0,1,0,0,0,0|1,0,1]=3 1060 B8R0.1 C#CCC(=O)CCCO 1458a_100011220946_100011215043 [0,1,0,0,0,0|1,0,1]=3 1061 B8R0.1 C#CCC(=O)CCOC 1458a_100000749529_100000184674 [0,1,0,0,0,0|1,0,1]=3 1062 B8R0.1 C#CCC(=O)CCOC 1458a_100011220946_100000233755 [0,1,0,0,0,0|1,0,1]=3 1063 B8R0.1 C#CCC(=O)CCSC 1458a_100000174002_100000184674 [0,1,0,0,0,0|1,0,1]=3 1064 B8R0.1 C#CCC(=O)CCSC 1458a_100011220946_100000751147 [0,1,0,0,0,0|1,0,1]=3 1065 B8R0.1 C#CCC(=O)COCC 1458a_100000211967_100000184674 [0,1,0,0,0,0|1,0,1]=3 1066 B8R0.1 C#CCC(=O)CSCC 1458a_100000230394_100000184674 [0,1,0,0,0,0|1,0,1]=3 1067 B8R0.1 C#CCC(=O)NCCC 1626a_100020643023_100011220946 [0,1,0,0,0,0|1,0,1]=3 1068 B8R0.1 C#CCC(=O)NCCC 527a_100020643023_100011220946 [0,1,0,0,0,0|1,0,1]=3 1069 B8R0.1 C#CCC(=O)NCCF 1626a_100000724931_100011220946 [0,1,0,0,0,0|2,0,1]=4 1070 B8R0.1 C#CCC(=O)NCCF 527a_100000724931_100011220946 [0,1,0,0,0,0|2,0,1]=4 1071 B8R0.1 C#CCC(=O)NCCO 527a_100000210304_100011220946 [0,1,0,0,0,0|2,0,1]=4 1072 B8R0.1 C#CCCC(=O)C#CC 1458a_100000763181_100000753159 [0,1,0,0,0,0|0,0,3]=4 1073 B8R0.1 C#CCCC(=O)C=CC 1458a_100000210699_100000753159 [0,1,0,0,0,0|0,0,3]=4 1074 B8R0.1 C#CCCC(=O)CC#C 1458a_100000692101_100000184674 [0,1,0,0,0,0|0,0,3]=4 1075 B8R0.1 C#CCCC(=O)CC#C 1458a_100011220946_100000753159 [0,1,0,0,0,0|0,0,3]=4 1076 B8R0.1 C#CCCC(=O)CC#N 1458a_100000692101_100011214920 [0,1,0,0,0,0|0,0,3]=4 1077 B8R0.1 C#CCCC(=O)CC#N 1458a_100051588842_100000753159 [0,1,0,0,0,0|0,0,3]=4 1078 B8R0.1 C#CCCC(=O)CC=C 1458a_100000210193_100000753159 [0,1,0,0,0,0|0,0,3]=4 1079 B8R0.1 C#CCCC(=O)CC=C 1458a_100000692101_100000210623 [0,1,0,0,0,0|0,0,3]=4 1080 B8R0.1 C#CCCC(=O)CCC 1458a_100000211992_100000753159 [0,1,0,0,0,0|0,0,2]=3 1081 B8R0.1 C#CCCC(=O)CCC 1458a_100000692101_100000210303 [0,1,0,0,0,0|0,0,2]=3 1082 B8R0.1 C#CCCC(=O)CCF 1458a_100000692101_100011217306 [0,1,0,0,0,0|0,0,2]=3 1083 B8R0.1 C#CCCC(=O)CCO 1458a_100000692101_100000211926 [0,1,0,0,0,0|0,0,2]=3 1084 B8R0.1 C#CCCC(=O)CCO 1458a_100011216618_100000753159 [0,1,0,0,0,0|0,0,2]=3 1085 B8R0.1 C#CCCC(=O)COC 1458a_100000210968_100000753159 [0,1,0,0,0,0|0,0,2]=3 1086 B8R0.1 C#CCCC(=O)CSC 1458a_100000184570_100000753159 [0,1,0,0,0,0|0,0,2]=3 1087 B8R0.1 C#CCCC(=O)NCC 11a_100015525214_100000692101 [0,1,0,0,0,0|0,0,2]=3 1088 B8R0.1 C#CCCC(=O)NCC 240690a_100015525214_100000692101 [0,1,0,0,0,0|0,0,2]=3 1089 B8R0.1 C#CCCC(=O)NCC 527a_100015525214_100000692101 [0,1,0,0,0,0|0,0,2]=3 1090 B8R0.1 C#CCCC(=O)NNC 22a_100016993582_100000692101 [0,1,0,0,0,0|1,0,2]=4 1091 B8R0.1 C#CCN(C)CCCC 2230a_100000207549_100000038162 [0,1,0,0,0,0|2,0,1]=4 1092 B8R0.1 C#CCN(C)CCCC 2230a_100000225692_100000210211 [0,1,0,0,0,0|2,0,1]=4 1093 B8R0.1 C#CCN(C)CCCC 34a_100000225692_100000210210 [0,1,0,0,0,0|2,0,1]=4 1094 B8R0.1 C#CCNC(=O)CCC 11a_100000212058_100000211992 [0,1,0,0,0,0|1,0,2]=4 1095 B8R0.1 C#CCNC(=O)CCC 1626a_100000212058_100000211992 [0,1,0,0,0,0|1,0,2]=4 1096 B8R0.1 C#CCNC(=O)CCC 240690a_100000212058_100000211992 [0,1,0,0,0,0|1,0,2]=4 1097 B8R0.1 C#CCNC(=O)CCC 527a_100000212058_100000211992 [0,1,0,0,0,0|1,0,2]=4 1098 B8R0.1 C#CCNC(=O)CCO 240690a_100000212058_100011216618 [0,1,0,0,0,0|1,0,2]=4 1099 B8R0.1 C#CCNC(=O)CNC 2230a_100000747989_200000210301 [0,1,0,0,0,0|1,0,2]=4 1100 B8R0.1 C#CCNC(=O)CNC 34a_100000747989_200000210301 [0,1,0,0,0,0|1,0,2]=4 1101 B8R0.1 C#CCNC(=O)CN[13CH3] 2230a_100000747989_200025704644 [0,1,0,0,0,0|1,0,2]=4 1102 B8R0.1 C#CCNC(=O)CN[13CH3] 34a_100000747989_200025704644 [0,1,0,0,0,0|1,0,2]=4 1103 B8R0.1 C#CCNC(=O)COC 11a_100000212058_100000210968 [0,1,0,0,0,0|1,0,2]=4 1104 B8R0.1 C#CCNC(=O)COC 1626a_100000212058_100000210968 [0,1,0,0,0,0|1,0,2]=4 1105 B8R0.1 C#CCNC(=O)COC 240690a_100000212058_100000210968 [0,1,0,0,0,0|1,0,2]=4 1106 B8R0.1 C#CCNC(=O)COC 527a_100000212058_100000210968 [0,1,0,0,0,0|1,0,2]=4 1107 B8R0.1 C#CCNC(=O)CSC 11a_100000212058_100000184570 [0,1,0,0,0,0|1,0,2]=4 1108 B8R0.1 C#CCNC(=O)CSC 1626a_100000212058_100000184570 [0,1,0,0,0,0|1,0,2]=4 1109 B8R0.1 C#CCNC(=O)CSC 240690a_100000212058_100000184570 [0,1,0,0,0,0|1,0,2]=4 1110 B8R0.1 C#CCNC(=O)CSC 527a_100000212058_100000184570 [0,1,0,0,0,0|1,0,2]=4 1111 B8R0.1 C#CCNC(=O)NCC 2708a_100000212058_100015525214 [0,1,0,0,0,0|1,0,2]=4 1112 B8R0.1 C#CCNC(=O)NCC 2708a_100015525214_100000212058 [0,1,0,0,0,0|1,0,2]=4 1113 B8R0.1 C#CCNC(=O)NCC 273464a_100000212058_100015525214 [0,1,0,0,0,0|1,0,2]=4 1114 B8R0.1 C#CCNC(=O)NCC 273464a_100015525214_100000212058 [0,1,0,0,0,0|1,0,2]=4 1115 B8R0.1 C#CCNC(=O)NCC 512a_100000212058_100015525214 [0,1,0,0,0,0|1,0,2]=4 1116 B8R0.1 C#CCNC(=O)NCC 512a_100015525214_100000212058 [0,1,0,0,0,0|1,0,2]=4 1117 B8R0.1 C/C=C/CC(=O)CC#N 1458a_100051588842_100102629194 [0,1,0,0,0,0|0,0,3]=4 1118 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [0,1,0,0,0,0|0,0,2]=3 1119 B8R0.1 C/C=C/CC(=O)CCO 1458a_100011216618_100102629194 [0,1,0,0,0,0|0,0,2]=3 1120 B8R0.1 C/C=C/CC(=O)COC 1458a_100000210968_100102629194 [0,1,0,0,0,0|0,0,2]=3 1121 B8R0.1 C/C=C/CC(=O)CSC 1458a_100000184570_100102629194 [0,1,0,0,0,0|0,0,2]=3 1122 B8R0.1 C=C(CNC)OCOC 34a_100102657272_100000042856 [0,1,0,0,0,0|3,0,0]=4 1123 B8R0.1 C=C(COC)OCOC 34a_100138415774_100000042856 [0,1,0,0,0,0|3,0,0]=4 1124 B8R0.1 C=C(CSC)OCOC 62a_100000042856_200000210301 [0,1,0,0,0,0|3,0,0]=4 1125 B8R0.1 C=C(CSC)OCOC 62a_200000210301_100000042856 [0,1,0,0,0,0|3,0,0]=4 1126 B8R0.1 C=C(CS[13CH3])OCOC 62a_100000042856_200025704644 [0,1,0,0,0,0|3,0,0]=4 1127 B8R0.1 C=C(CS[13CH3])OCOC 62a_200025704644_100000042856 [0,1,0,0,0,0|3,0,0]=4 1128 B8R0.1 C=CCC(=O)C#CCC 1458a_100011827653_100000210623 [0,1,0,0,0,0|0,0,3]=4 1129 B8R0.1 C=CCC(=O)C/C=C/C 1458a_100000210193_100102629194 [0,1,0,0,0,0|0,0,3]=4 1130 B8R0.1 C=CCC(=O)C=CCC 1458a_100000212282_100000210623 [0,1,0,0,0,0|0,0,3]=4 1131 B8R0.1 C=CCC(=O)CC#CC 1458a_100000210193_100000748600 [0,1,0,0,0,0|0,0,3]=4 1132 B8R0.1 C=CCC(=O)CC=CC 1458a_100000210193_100000070051 [0,1,0,0,0,0|0,0,3]=4 1133 B8R0.1 C=CCC(=O)CC=CC 1458a_100121576822_100000210623 [0,1,0,0,0,0|0,0,3]=4 1134 B8R0.1 C=CCC(=O)CCC#N 1458a_100000210193_100011215226 [0,1,0,0,0,0|1,0,2]=4 1135 B8R0.1 C=CCC(=O)CCC#N 1458a_100011934036_100000210623 [0,1,0,0,0,0|1,0,2]=4 1136 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [0,1,0,0,0,0|0,0,1]=2 1137 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [0,1,0,0,0,0|0,0,1]=2 1138 B8R0.1 C=CCC(=O)CCCF 1458a_100000210193_100011934791 [0,1,0,0,0,0|1,0,1]=3 1139 B8R0.1 C=CCC(=O)CCCO 1458a_100000210193_100011215043 [0,1,0,0,0,0|1,0,1]=3 1140 B8R0.1 C=CCC(=O)CCOC 1458a_100000210193_100000233755 [0,1,0,0,0,0|1,0,1]=3 1141 B8R0.1 C=CCC(=O)CCOC 1458a_100000749529_100000210623 [0,1,0,0,0,0|1,0,1]=3 1142 B8R0.1 C=CCC(=O)CCSC 1458a_100000174002_100000210623 [0,1,0,0,0,0|1,0,1]=3 1143 B8R0.1 C=CCC(=O)CCSC 1458a_100000210193_100000751147 [0,1,0,0,0,0|1,0,1]=3 1144 B8R0.1 C=CCC(=O)COCC 1458a_100000211967_100000210623 [0,1,0,0,0,0|1,0,1]=3 1145 B8R0.1 C=CCC(=O)CSCC 1458a_100000230394_100000210623 [0,1,0,0,0,0|1,0,1]=3 1146 B8R0.1 C=CCC(=O)NCCC 11a_100020643023_100000210193 [0,1,0,0,0,0|1,0,1]=3 1147 B8R0.1 C=CCC(=O)NCCC 1626a_100020643023_100000210193 [0,1,0,0,0,0|1,0,1]=3 1148 B8R0.1 C=CCC(=O)NCCC 240690a_100020643023_100000210193 [0,1,0,0,0,0|1,0,1]=3 1149 B8R0.1 C=CCC(=O)NCCC 527a_100020643023_100000210193 [0,1,0,0,0,0|1,0,1]=3 1150 B8R0.1 C=CCC(=O)NCCF 11a_100000724931_100000210193 [0,1,0,0,0,0|2,0,1]=4 1151 B8R0.1 C=CCC(=O)NCCF 1626a_100000724931_100000210193 [0,1,0,0,0,0|2,0,1]=4 1152 B8R0.1 C=CCC(=O)NCCF 240690a_100000724931_100000210193 [0,1,0,0,0,0|2,0,1]=4 1153 B8R0.1 C=CCC(=O)NCCF 527a_100000724931_100000210193 [0,1,0,0,0,0|2,0,1]=4 1154 B8R0.1 C=CCC(=O)NCCO 240690a_100000210304_100000210193 [0,1,0,0,0,0|2,0,1]=4 1155 B8R0.1 C=CCC(=O)NCCO 527a_100000210304_100000210193 [0,1,0,0,0,0|2,0,1]=4 1156 B8R0.1 C=CCC(=O)NNCC 22a_100000756455_100000210193 [0,1,0,0,0,0|2,0,1]=4 1157 B8R0.1 C=CCCC(=O)C#CC 1458a_100000763181_100000754431 [0,1,0,0,0,0|0,0,3]=4 1158 B8R0.1 C=CCCC(=O)C=CC 1458a_100000210699_100000754431 [0,1,0,0,0,0|0,0,3]=4 1159 B8R0.1 C=CCCC(=O)CC#N 1458a_100000749702_100011214920 [0,1,0,0,0,0|0,0,3]=4 1160 B8R0.1 C=CCCC(=O)CC#N 1458a_100051588842_100000754431 [0,1,0,0,0,0|0,0,3]=4 1161 B8R0.1 C=CCCC(=O)CC=C 1458a_100000210193_100000754431 [0,1,0,0,0,0|0,0,3]=4 1162 B8R0.1 C=CCCC(=O)CC=C 1458a_100000749702_100000210623 [0,1,0,0,0,0|0,0,3]=4 1163 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [0,1,0,0,0,0|0,0,2]=3 1164 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [0,1,0,0,0,0|0,0,2]=3 1165 B8R0.1 C=CCCC(=O)CCF 1458a_100000749702_100011217306 [0,1,0,0,0,0|0,0,2]=3 1166 B8R0.1 C=CCCC(=O)CCO 1458a_100000749702_100000211926 [0,1,0,0,0,0|0,0,2]=3 1167 B8R0.1 C=CCCC(=O)CCO 1458a_100011216618_100000754431 [0,1,0,0,0,0|0,0,2]=3 1168 B8R0.1 C=CCCC(=O)COC 1458a_100000210968_100000754431 [0,1,0,0,0,0|0,0,2]=3 1169 B8R0.1 C=CCCC(=O)CSC 1458a_100000184570_100000754431 [0,1,0,0,0,0|0,0,2]=3 1170 B8R0.1 C=CCCC(=O)NCC 11a_100015525214_100000749702 [0,1,0,0,0,0|0,0,2]=3 1171 B8R0.1 C=CCCC(=O)NCC 240690a_100015525214_100000749702 [0,1,0,0,0,0|0,0,2]=3 1172 B8R0.1 C=CCCC(=O)NCC 527a_100015525214_100000749702 [0,1,0,0,0,0|0,0,2]=3 1173 B8R0.1 C=CCCC(=O)NNC 22a_100016993582_100000749702 [0,1,0,0,0,0|1,0,2]=4 1174 B8R0.1 C=CCN(C)CCCC 2230a_100000207549_100000210623 [0,1,0,0,0,0|2,0,1]=4 1175 B8R0.1 C=CCN(C)CCCC 2230a_100000225617_100000210211 [0,1,0,0,0,0|2,0,1]=4 1176 B8R0.1 C=CCN(C)CCCC 269982a_100000207549_100000210623 [0,1,0,0,0,0|2,0,1]=4 1177 B8R0.1 C=CCN(C)CCCC 269982a_100000225617_100000210211 [0,1,0,0,0,0|2,0,1]=4 1178 B8R0.1 C=CCNC(=O)CCC 1626a_100020586998_100000211992 [0,1,0,0,0,0|1,0,2]=4 1179 B8R0.1 C=CCNC(=O)CCC 240690a_100020586998_100000211992 [0,1,0,0,0,0|1,0,2]=4 1180 B8R0.1 C=CCNC(=O)CCC 527a_100020586998_100000211992 [0,1,0,0,0,0|1,0,2]=4 1181 B8R0.1 C=CCNC(=O)CCO 240690a_100020586998_100011216618 [0,1,0,0,0,0|1,0,2]=4 1182 B8R0.1 C=CCNC(=O)CNC 2230a_106832991635_100000183597 [0,1,0,0,0,0|1,0,2]=4 1183 B8R0.1 C=CCNC(=O)CNC 7a_106832991635_100000183597 [0,1,0,0,0,0|1,0,2]=4 1184 B8R0.1 C=CCNC(=O)COC 1626a_100020586998_100000210968 [0,1,0,0,0,0|1,0,2]=4 1185 B8R0.1 C=CCNC(=O)COC 240690a_100020586998_100000210968 [0,1,0,0,0,0|1,0,2]=4 1186 B8R0.1 C=CCNC(=O)COC 527a_100020586998_100000210968 [0,1,0,0,0,0|1,0,2]=4 1187 B8R0.1 C=CCNC(=O)CSC 1626a_100020586998_100000184570 [0,1,0,0,0,0|1,0,2]=4 1188 B8R0.1 C=CCNC(=O)CSC 240690a_100020586998_100000184570 [0,1,0,0,0,0|1,0,2]=4 1189 B8R0.1 C=CCNC(=O)CSC 527a_100020586998_100000184570 [0,1,0,0,0,0|1,0,2]=4 1190 B8R0.1 C=CCNC(=O)CSC 62a_100000183597_200000210301 [0,1,0,0,0,0|1,0,2]=4 1191 B8R0.1 C=CCNC(=O)CSC 62a_200000210301_100000183597 [0,1,0,0,0,0|1,0,2]=4 1192 B8R0.1 C=CCNC(=O)CS[13CH3] 62a_100000183597_200025704644 [0,1,0,0,0,0|1,0,2]=4 1193 B8R0.1 C=CCNC(=O)CS[13CH3] 62a_200025704644_100000183597 [0,1,0,0,0,0|1,0,2]=4 1194 B8R0.1 C=CCNC(=O)NCC 2708a_100015525214_100020586998 [0,1,0,0,0,0|1,0,2]=4 1195 B8R0.1 C=CCNC(=O)NCC 273464a_100015525214_100020586998 [0,1,0,0,0,0|1,0,2]=4 1196 B8R0.1 C=CCNC(=O)NCC 273464a_100020586998_100015525214 [0,1,0,0,0,0|1,0,2]=4 1197 B8R0.1 C=CCNC(=O)NCC 512a_100015525214_100020586998 [0,1,0,0,0,0|1,0,2]=4 1198 B8R0.1 C=CCNC(=O)NCC 512a_100020586998_100015525214 [0,1,0,0,0,0|1,0,2]=4 1199 B8R0.1 C=CCOC(=O)CNC 2230a_106832991635_100000033060 [0,1,0,0,0,0|1,0,2]=4 1200 B8R0.1 C=CCOC(=O)CNC 34a_100102657272_100000033060 [0,1,0,0,0,0|1,0,2]=4 1201 B8R0.1 C=CCOC(=O)CNC 7a_106832991635_100000033060 [0,1,0,0,0,0|1,0,2]=4 1202 B8R0.1 C=CCOC(=O)COC 34a_100138415774_100000033060 [0,1,0,0,0,0|1,0,2]=4 1203 B8R0.1 C=CCOC(=O)CSC 62a_100000033060_200000210301 [0,1,0,0,0,0|1,0,2]=4 1204 B8R0.1 C=CCOC(=O)CSC 62a_200000210301_100000033060 [0,1,0,0,0,0|1,0,2]=4 1205 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_100000033060_200025704644 [0,1,0,0,0,0|1,0,2]=4 1206 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_200025704644_100000033060 [0,1,0,0,0,0|1,0,2]=4 1207 B8R0.1 C=COC(=O)CNCC 2230a_100015525214_100000036128 [0,1,0,0,0,0|1,0,2]=4 1208 B8R0.1 C=COC(=O)COCC 34a_100121572206_100000036128 [0,1,0,0,0,0|1,0,2]=4 1209 B8R0.1 C=COC(=O)CSCC 62a_100000036128_100000210202 [0,1,0,0,0,0|1,0,2]=4 1210 B8R0.1 C=COC(=O)CSCC 62a_100000210202_100000036128 [0,1,0,0,0,0|1,0,2]=4 1211 B8R0.1 CC#CC(=O)C/C=C/C 1458a_100000763181_100102629194 [0,1,0,0,0,0|0,0,3]=4 1212 B8R0.1 CC#CC(=O)CC=CC 1458a_100000763181_100000070051 [0,1,0,0,0,0|0,0,3]=4 1213 B8R0.1 CC#CC(=O)CCC#N 1458a_100000763181_100011215226 [0,1,0,0,0,0|1,0,2]=4 1214 B8R0.1 CC#CC(=O)CCCC 1458a_100000763181_100000210211 [0,1,0,0,0,0|0,0,1]=2 1215 B8R0.1 CC#CC(=O)CCCF 1458a_100000763181_100011934791 [0,1,0,0,0,0|1,0,1]=3 1216 B8R0.1 CC#CC(=O)CCCO 1458a_100000763181_100011215043 [0,1,0,0,0,0|1,0,1]=3 1217 B8R0.1 CC#CC(=O)CCOC 1458a_100000763181_100000233755 [0,1,0,0,0,0|1,0,1]=3 1218 B8R0.1 CC#CC(=O)CCSC 1458a_100000763181_100000751147 [0,1,0,0,0,0|1,0,1]=3 1219 B8R0.1 CC#CC(=O)NNCC 22a_100000756455_100000763181 [0,1,0,0,0,0|2,0,1]=4 1220 B8R0.1 CC#CCC(=O)C#CC 1458a_100000763181_100000748600 [0,1,0,0,0,0|0,0,3]=4 1221 B8R0.1 CC#CCC(=O)C=CC 1458a_100000210699_100000748600 [0,1,0,0,0,0|0,0,3]=4 1222 B8R0.1 CC#CCC(=O)CC#N 1458a_100051588842_100000748600 [0,1,0,0,0,0|0,0,3]=4 1223 B8R0.1 CC#CCC(=O)CCC 1458a_100000211992_100000748600 [0,1,0,0,0,0|0,0,2]=3 1224 B8R0.1 CC#CCC(=O)CCO 1458a_100011216618_100000748600 [0,1,0,0,0,0|0,0,2]=3 1225 B8R0.1 CC#CCC(=O)COC 1458a_100000210968_100000748600 [0,1,0,0,0,0|0,0,2]=3 1226 B8R0.1 CC#CCC(=O)CSC 1458a_100000184570_100000748600 [0,1,0,0,0,0|0,0,2]=3 1227 B8R0.1 CC=CC(=O)C/C=C/C 1458a_100000210699_100102629194 [0,1,0,0,0,0|0,0,3]=4 1228 B8R0.1 CC=CC(=O)CCC#N 1458a_100000210699_100011215226 [0,1,0,0,0,0|1,0,2]=4 1229 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [0,1,0,0,0,0|0,0,1]=2 1230 B8R0.1 CC=CC(=O)CCCF 1458a_100000210699_100011934791 [0,1,0,0,0,0|1,0,1]=3 1231 B8R0.1 CC=CC(=O)CCCO 1458a_100000210699_100011215043 [0,1,0,0,0,0|1,0,1]=3 1232 B8R0.1 CC=CC(=O)CCOC 1458a_100000210699_100000233755 [0,1,0,0,0,0|1,0,1]=3 1233 B8R0.1 CC=CC(=O)CCSC 1458a_100000210699_100000751147 [0,1,0,0,0,0|1,0,1]=3 1234 B8R0.1 CC=CC(=O)NCCC 11a_100020643023_100000210699 [0,1,0,0,0,0|1,0,1]=3 1235 B8R0.1 CC=CC(=O)NCCC 1626a_100020643023_100000210699 [0,1,0,0,0,0|1,0,1]=3 1236 B8R0.1 CC=CC(=O)NCCC 240690a_100020643023_100000210699 [0,1,0,0,0,0|1,0,1]=3 1237 B8R0.1 CC=CC(=O)NCCF 11a_100000724931_100000210699 [0,1,0,0,0,0|2,0,1]=4 1238 B8R0.1 CC=CC(=O)NCCF 1626a_100000724931_100000210699 [0,1,0,0,0,0|2,0,1]=4 1239 B8R0.1 CC=CC(=O)NCCF 240690a_100000724931_100000210699 [0,1,0,0,0,0|2,0,1]=4 1240 B8R0.1 CC=CC(=O)NCCO 240690a_100000210304_100000210699 [0,1,0,0,0,0|2,0,1]=4 1241 B8R0.1 CC=CC(=O)NNCC 22a_100000756455_100000210699 [0,1,0,0,0,0|2,0,1]=4 1242 B8R0.1 CC=CCC(=O)C=CC 1458a_100000210699_100000070051 [0,1,0,0,0,0|0,0,3]=4 1243 B8R0.1 CC=CCC(=O)CC#N 1458a_100051588842_100000070051 [0,1,0,0,0,0|0,0,3]=4 1244 B8R0.1 CC=CCC(=O)CC#N 1458a_100121576822_100011214920 [0,1,0,0,0,0|0,0,3]=4 1245 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [0,1,0,0,0,0|0,0,2]=3 1246 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [0,1,0,0,0,0|0,0,2]=3 1247 B8R0.1 CC=CCC(=O)CCF 1458a_100121576822_100011217306 [0,1,0,0,0,0|0,0,2]=3 1248 B8R0.1 CC=CCC(=O)CCO 1458a_100011216618_100000070051 [0,1,0,0,0,0|0,0,2]=3 1249 B8R0.1 CC=CCC(=O)CCO 1458a_100121576822_100000211926 [0,1,0,0,0,0|0,0,2]=3 1250 B8R0.1 CC=CCC(=O)COC 1458a_100000210968_100000070051 [0,1,0,0,0,0|0,0,2]=3 1251 B8R0.1 CC=CCC(=O)CSC 1458a_100000184570_100000070051 [0,1,0,0,0,0|0,0,2]=3 1252 B8R0.1 CC=CCC(=O)NCC 11a_100015525214_100121576822 [0,1,0,0,0,0|0,0,2]=3 1253 B8R0.1 CC=CCC(=O)NCC 240690a_100015525214_100121576822 [0,1,0,0,0,0|0,0,2]=3 1254 B8R0.1 CC=CCC(=O)NCC 527a_100015525214_100121576822 [0,1,0,0,0,0|0,0,2]=3 1255 B8R0.1 CC=CCC(=O)NNC 22a_100016993582_100121576822 [0,1,0,0,0,0|1,0,2]=4 1256 B8R0.1 CC=NNC(=O)CCC 4a_100000189770_200000210099 [0,1,0,0,0,0|2,0,1]=4 1257 B8R0.1 CC=NNC(=O)COC 4a_100000216845_200000210099 [0,1,0,0,0,0|2,0,1]=4 1258 B8R0.1 CCC#CC(=O)CC#N 1458a_100011827653_100011214920 [0,1,0,0,0,0|0,0,3]=4 1259 B8R0.1 CCC#CC(=O)CCC 1458a_100011827653_100000210303 [0,1,0,0,0,0|0,0,2]=3 1260 B8R0.1 CCC#CC(=O)CCF 1458a_100011827653_100011217306 [0,1,0,0,0,0|0,0,2]=3 1261 B8R0.1 CCC#CC(=O)CCO 1458a_100011827653_100000211926 [0,1,0,0,0,0|0,0,2]=3 1262 B8R0.1 CCC#CC(=O)NNC 22a_100016993582_100011827653 [0,1,0,0,0,0|1,0,2]=4 1263 B8R0.1 CCC=CC(=O)CC#N 1458a_100000212282_100011214920 [0,1,0,0,0,0|0,0,3]=4 1264 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [0,1,0,0,0,0|0,0,2]=3 1265 B8R0.1 CCC=CC(=O)CCF 1458a_100000212282_100011217306 [0,1,0,0,0,0|0,0,2]=3 1266 B8R0.1 CCC=CC(=O)CCO 1458a_100000212282_100000211926 [0,1,0,0,0,0|0,0,2]=3 1267 B8R0.1 CCC=CC(=O)NCC 11a_100015525214_100000212282 [0,1,0,0,0,0|0,0,2]=3 1268 B8R0.1 CCC=CC(=O)NCC 240690a_100015525214_100000212282 [0,1,0,0,0,0|0,0,2]=3 1269 B8R0.1 CCC=CC(=O)NNC 22a_100016993582_100000212282 [0,1,0,0,0,0|1,0,2]=4 1270 B8R0.1 CCCC(=NNCC)C 4a_100000756455_100000211909 [0,1,0,0,0,0|3,0,0]=4 1271 B8R0.1 CCCC(=O)C#CCO 1458a_100000049017_100000210303 [0,1,0,0,0,0|1,0,2]=4 1272 B8R0.1 CCCC(=O)C=COC 1458a_100016268678_100000210303 [0,1,0,0,0,0|1,0,2]=4 1273 B8R0.1 CCCC(=O)CCC#N 1458a_100000211992_100011215226 [0,1,0,0,0,0|1,0,1]=3 1274 B8R0.1 CCCC(=O)CCC#N 1458a_100011934036_100000210303 [0,1,0,0,0,0|1,0,1]=3 1275 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [0,1,0,0,0,0|1,0,0]=2 1276 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [0,1,0,0,0,0|1,0,0]=2 1277 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [0,1,0,0,0,0|1,0,0]=2 1278 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [0,1,0,0,0,0|1,0,0]=2 1279 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [0,1,0,0,0,0|1,0,0]=2 1280 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [0,1,0,0,0,0|1,0,0]=2 1281 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [0,1,0,0,0,0|1,0,0]=2 1282 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [0,1,0,0,0,0|1,0,0]=2 1283 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [0,1,0,0,0,0|1,0,0]=2 1284 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [0,1,0,0,0,0|1,0,0]=2 1285 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [0,1,0,0,0,0|1,0,0]=2 1286 B8R0.1 CCCC(=O)CSCF 62a_100000747444_100015361967 [0,1,0,0,0,0|2,0,0]=3 1287 B8R0.1 CCCC(=O)CSCF 62a_100015361967_100000747444 [0,1,0,0,0,0|2,0,0]=3 1288 B8R0.1 CCCC(=O)NCC#N 1626a_100000734998_100000211992 [0,1,0,0,0,0|2,0,1]=4 1289 B8R0.1 CCCC(=O)NCC#N 527a_100000734998_100000211992 [0,1,0,0,0,0|2,0,1]=4 1290 B8R0.1 CCCC(=O)NCCF 11a_100000724931_100000211992 [0,1,0,0,0,0|2,0,0]=3 1291 B8R0.1 CCCC(=O)NCCF 1626a_100000724931_100000211992 [0,1,0,0,0,0|2,0,0]=3 1292 B8R0.1 CCCC(=O)NCCF 240690a_100000724931_100000211992 [0,1,0,0,0,0|2,0,0]=3 1293 B8R0.1 CCCC(=O)NCCF 527a_100000724931_100000211992 [0,1,0,0,0,0|2,0,0]=3 1294 B8R0.1 CCCC(=O)NCCO 240690a_100000210304_100000211992 [0,1,0,0,0,0|2,0,0]=3 1295 B8R0.1 CCCC(=O)NCCO 527a_100000210304_100000211992 [0,1,0,0,0,0|2,0,0]=3 1296 B8R0.1 CCCC(=O)NNCC 22a_100000756455_100000211992 [0,1,0,0,0,0|2,0,0]=3 1297 B8R0.1 CCCC(=O)OCNC 2230a_106832991635_100000034017 [0,1,0,0,0,0|2,0,0]=3 1298 B8R0.1 CCCC(=O)OCNC 34a_100102657272_100000034017 [0,1,0,0,0,0|2,0,0]=3 1299 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [0,1,0,0,0,0|2,0,0]=3 1300 B8R0.1 CCCC(=O)OCSC 62a_200000210301_100000034017 [0,1,0,0,0,0|2,0,0]=3 1301 B8R0.1 CCCC(=O)OCS[13CH3] 62a_200025704644_100000034017 [0,1,0,0,0,0|2,0,0]=3 1302 B8R0.1 CCCC(C)CCOC 34a_100011217855_200000210301 [0,1,0,0,0,0|2,0,1]=4 1303 B8R0.1 CCCC(C)CCOC 7a_100011217855_200000210301 [0,1,0,0,0,0|2,0,1]=4 1304 B8R0.1 CCCC(C)CCO[13CH3] 34a_100011217855_200025704644 [0,1,0,0,0,0|2,0,1]=4 1305 B8R0.1 CCCC(C)CCO[13CH3] 7a_100011217855_200025704644 [0,1,0,0,0,0|2,0,1]=4 1306 B8R0.1 CCCC(C)CNCC 2230a_100015525214_100011216630 [0,1,0,0,0,0|2,0,1]=4 1307 B8R0.1 CCCC(C)CNCC 270004a_100015525214_100000243154 [0,1,0,0,0,0|2,0,1]=4 1308 B8R0.1 CCCC(C)COCC 34a_100000688023_100000210202 [0,1,0,0,0,0|2,0,1]=4 1309 B8R0.1 CCCC(C)COCC 34a_100121572206_100011216630 [0,1,0,0,0,0|2,0,1]=4 1310 B8R0.1 CCCC(C)COCC 7a_100000688023_100000210202 [0,1,0,0,0,0|2,0,1]=4 1311 B8R0.1 CCCC(C)CSCC 62a_100000210202_100011216630 [0,1,0,0,0,0|2,0,1]=4 1312 B8R0.1 CCCC(C)CSCC 62a_100011216630_100000210202 [0,1,0,0,0,0|2,0,1]=4 1313 B8R0.1 CCCCC(=O)C=CBr 1458a_100016273825_100000210211 [0,1,0,0,0,0|0,0,2]=3 1314 B8R0.1 CCCCC(=O)C=CCl 1458a_200016279998_100000210211 [0,1,0,0,0,0|0,0,2]=3 1315 B8R0.1 CCCCC(=O)C=CI 1458a_100016256311_100000210211 [0,1,0,0,0,0|0,0,2]=3 1316 B8R0.1 CCCCC(=O)CC#N 1458a_100000210183_100011214920 [0,1,0,0,0,0|0,0,1]=2 1317 B8R0.1 CCCCC(=O)CC#N 1458a_100051588842_100000210211 [0,1,0,0,0,0|0,0,1]=2 1318 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [0,1,0,0,0,0|0,0,0]=1 1319 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [0,1,0,0,0,0|0,0,0]=1 1320 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [0,1,0,0,0,0|0,0,0]=1 1321 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [0,1,0,0,0,0|0,0,0]=1 1322 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [0,1,0,0,0,0|0,0,0]=1 1323 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [0,1,0,0,0,0|0,0,0]=1 1324 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [0,1,0,0,0,0|0,0,0]=1 1325 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [0,1,0,0,0,0|0,0,0]=1 1326 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [0,1,0,0,0,0|0,0,0]=1 1327 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [0,1,0,0,0,0|0,0,0]=1 1328 B8R0.1 CCCCC(=O)NNC 22a_100016993582_100000210183 [0,1,0,0,0,0|1,0,0]=2 1329 B8R0.1 CCCCC(C)COC 34a_100011995851_200000210301 [0,1,0,0,0,0|1,0,1]=3 1330 B8R0.1 CCCCC(C)COC 7a_100011995851_200000210301 [0,1,0,0,0,0|1,0,1]=3 1331 B8R0.1 CCCCC(C)CO[13CH3] 34a_100011995851_200025704644 [0,1,0,0,0,0|1,0,1]=3 1332 B8R0.1 CCCCC(C)CO[13CH3] 7a_100011995851_200025704644 [0,1,0,0,0,0|1,0,1]=3 1333 B8R0.1 CCCCC(C)NCC 2230a_100000126638_100000210202 [0,1,0,0,0,0|1,0,1]=3 1334 B8R0.1 CCCCC(C)NCC 2230a_100015525214_200011215066 [0,1,0,0,0,0|1,0,1]=3 1335 B8R0.1 CCCCC(C)NCC 270004a_100015525214_100000210087 [0,1,0,0,0,0|1,0,1]=3 1336 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [0,1,0,0,0,0|1,0,1]=3 1337 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [0,1,0,0,0,0|1,0,1]=3 1338 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [0,1,0,0,0,0|1,0,1]=3 1339 B8R0.1 CCCCC(C)OCF 34a_100000687866_100015361967 [0,1,0,0,0,0|2,0,1]=4 1340 B8R0.1 CCCCC(C)OCF 7a_100000687866_100015361967 [0,1,0,0,0,0|2,0,1]=4 1341 B8R0.1 CCCCC(C)SCC 62a_100000210202_200011215066 [0,1,0,0,0,0|1,0,1]=3 1342 B8R0.1 CCCCC(C)SCC 62a_200011215066_100000210202 [0,1,0,0,0,0|1,0,1]=3 1343 B8R0.1 CCCCC(C)SCF 62a_100015361967_200011215066 [0,1,0,0,0,0|2,0,1]=4 1344 B8R0.1 CCCCC(C)SCF 62a_200011215066_100015361967 [0,1,0,0,0,0|2,0,1]=4 1345 B8R0.1 CCCCN(C)CC#N 2230a_100000207549_100011215382 [0,1,0,0,0,0|2,0,1]=4 1346 B8R0.1 CCCCN(C)CC#N 2230a_100000748184_100000210211 [0,1,0,0,0,0|2,0,1]=4 1347 B8R0.1 CCCCN(C)CC#N 2230a_200011192266_200000210301 [0,1,0,0,0,0|2,0,1]=4 1348 B8R0.1 CCCCN(C)CC#N 269982a_100000207549_100011214920 [0,1,0,0,0,0|2,0,1]=4 1349 B8R0.1 CCCCN(C)CC=O 2230a_100000207549_200015260668 [0,1,0,0,0,0|2,0,1]=4 1350 B8R0.1 CCCCN(C)CC=O 269982a_100000207549_200015260668 [0,1,0,0,0,0|2,0,1]=4 1351 B8R0.1 CCCCN(C)CCC 2230a_100000207549_100000210303 [0,1,0,0,0,0|2,0,0]=3 1352 B8R0.1 CCCCN(C)CCC 2230a_100000747261_100000210211 [0,1,0,0,0,0|2,0,0]=3 1353 B8R0.1 CCCCN(C)CCC 2230a_200000207744_200000210301 [0,1,0,0,0,0|2,0,0]=3 1354 B8R0.1 CCCCN(C)CCC 269982a_100000207549_100000210303 [0,1,0,0,0,0|2,0,0]=3 1355 B8R0.1 CCCCN(C)CCC 269982a_100000747261_100000210211 [0,1,0,0,0,0|2,0,0]=3 1356 B8R0.1 CCCCN(C)CCC 269982a_200000207744_200000210301 [0,1,0,0,0,0|2,0,0]=3 1357 B8R0.1 CCCCN(C)CCF 2230a_100000207549_100011217306 [0,1,0,0,0,0|2,0,0]=3 1358 B8R0.1 CCCCN(C)CCF 269982a_100000207549_100011217306 [0,1,0,0,0,0|2,0,0]=3 1359 B8R0.1 CCCCN(C)CCO 2230a_100000198060_200000210301 [0,1,0,0,0,0|2,0,0]=3 1360 B8R0.1 CCCCN(C)CCO 2230a_100000207549_100000211926 [0,1,0,0,0,0|2,0,0]=3 1361 B8R0.1 CCCCN(C)CCO 2230a_100000210263_100000210211 [0,1,0,0,0,0|2,0,0]=3 1362 B8R0.1 CCCCN(C)CCO 269982a_100000198060_200000210301 [0,1,0,0,0,0|2,0,0]=3 1363 B8R0.1 CCCCN(C)CCO 269982a_100000207549_100000211926 [0,1,0,0,0,0|2,0,0]=3 1364 B8R0.1 CCCCN(C)CCO 269982a_100000210263_100000210211 [0,1,0,0,0,0|2,0,0]=3 1365 B8R0.1 CCCCN(C)COC 2230a_100000207549_100000766300 [0,1,0,0,0,0|2,0,0]=3 1366 B8R0.1 CCCCN(C)COC 269982a_100000207549_100000766300 [0,1,0,0,0,0|2,0,0]=3 1367 B8R0.1 CCCCN(C)CSC 2230a_100000207549_100011218213 [0,1,0,0,0,0|2,0,0]=3 1368 B8R0.1 CCCCN(C)CSC 269982a_100000207549_100011218213 [0,1,0,0,0,0|2,0,0]=3 1369 B8R0.1 CCCCN([13CH3])CC#N 2230a_200011192266_200025704644 [0,1,0,0,0,0|2,0,1]=4 1370 B8R0.1 CCCCN([13CH3])CCC 2230a_200000207744_200025704644 [0,1,0,0,0,0|2,0,0]=3 1371 B8R0.1 CCCCN([13CH3])CCC 269982a_200000207744_200025704644 [0,1,0,0,0,0|2,0,0]=3 1372 B8R0.1 CCCCN([13CH3])CCO 2230a_100000198060_200025704644 [0,1,0,0,0,0|2,0,0]=3 1373 B8R0.1 CCCCN([13CH3])CCO 269982a_100000198060_200025704644 [0,1,0,0,0,0|2,0,0]=3 1374 B8R0.1 CCCC[C@H](N)COC 34a_100011934283_200000210301 [0,1,0,0,0,0|1,0,1]=3 1375 B8R0.1 CCCC[C@H](N)CO[13CH3] 34a_100011934283_200025704644 [0,1,0,0,0,0|1,0,1]=3 1376 B8R0.1 CCCN(C)CCCF 2230a_100000747261_100011934791 [0,1,0,0,0,0|3,0,0]=4 1377 B8R0.1 CCCN(C)CCCF 269982a_100000747261_100011934791 [0,1,0,0,0,0|3,0,0]=4 1378 B8R0.1 CCCN(C)CCCO 2230a_100000213112_100000210303 [0,1,0,0,0,0|3,0,0]=4 1379 B8R0.1 CCCN(C)CCCO 2230a_100000747261_100000230001 [0,1,0,0,0,0|3,0,0]=4 1380 B8R0.1 CCCN(C)CCCO 269982a_100000213112_100000210303 [0,1,0,0,0,0|3,0,0]=4 1381 B8R0.1 CCCN(C)CCCO 269982a_100000747261_100011215043 [0,1,0,0,0,0|3,0,0]=4 1382 B8R0.1 CCCN(C)CCOC 2230a_100000743101_100000210303 [0,1,0,0,0,0|3,0,0]=4 1383 B8R0.1 CCCN(C)CCOC 2230a_100000747261_100011201679 [0,1,0,0,0,0|3,0,0]=4 1384 B8R0.1 CCCN(C)CCOC 2230a_200011192371_200000210301 [0,1,0,0,0,0|3,0,0]=4 1385 B8R0.1 CCCN(C)CCOC 269982a_100000743101_100000210303 [0,1,0,0,0,0|3,0,0]=4 1386 B8R0.1 CCCN(C)CCOC 269982a_100000747261_100000233755 [0,1,0,0,0,0|3,0,0]=4 1387 B8R0.1 CCCN(C)CCOC 269982a_200011192371_200000210301 [0,1,0,0,0,0|3,0,0]=4 1388 B8R0.1 CCCN(C)CCSC 2230a_100000686725_100000210303 [0,1,0,0,0,0|3,0,0]=4 1389 B8R0.1 CCCN(C)CCSC 2230a_100000747261_100000751147 [0,1,0,0,0,0|3,0,0]=4 1390 B8R0.1 CCCN(C)CCSC 269982a_100000686725_100000210303 [0,1,0,0,0,0|3,0,0]=4 1391 B8R0.1 CCCN(C)CCSC 269982a_100000747261_100000212216 [0,1,0,0,0,0|3,0,0]=4 1392 B8R0.1 CCCN(C)COCC 269982a_100000747261_100000739092 [0,1,0,0,0,0|3,0,0]=4 1393 B8R0.1 CCCN([13CH3])CCOC 2230a_200011192371_200025704644 [0,1,0,0,0,0|3,0,0]=4 1394 B8R0.1 CCCN([13CH3])CCOC 269982a_200011192371_200025704644 [0,1,0,0,0,0|3,0,0]=4 1395 B8R0.1 CCCNC(=O)C=CBr 1626a_100020643023_100016273825 [0,1,0,0,0,0|1,0,2]=4 1396 B8R0.1 CCCNC(=O)C=CBr 240690a_100020643023_100016273825 [0,1,0,0,0,0|1,0,2]=4 1397 B8R0.1 CCCNC(=O)C=CCl 11a_100020643023_200016279998 [0,1,0,0,0,0|1,0,2]=4 1398 B8R0.1 CCCNC(=O)C=CCl 1626a_100020643023_200016279998 [0,1,0,0,0,0|1,0,2]=4 1399 B8R0.1 CCCNC(=O)C=CCl 240690a_100020643023_200016279998 [0,1,0,0,0,0|1,0,2]=4 1400 B8R0.1 CCCNC(=O)C=CI 1626a_100020643023_100016256311 [0,1,0,0,0,0|1,0,2]=4 1401 B8R0.1 CCCNC(=O)CC#N 1626a_100020643023_100051588842 [0,1,0,0,0,0|1,0,1]=3 1402 B8R0.1 CCCNC(=O)CC#N 240690a_100020643023_100051588842 [0,1,0,0,0,0|1,0,1]=3 1403 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [0,1,0,0,0,0|1,0,0]=2 1404 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [0,1,0,0,0,0|1,0,0]=2 1405 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [0,1,0,0,0,0|1,0,0]=2 1406 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [0,1,0,0,0,0|1,0,0]=2 1407 B8R0.1 CCCNC(=O)CCO 240690a_100020643023_100011216618 [0,1,0,0,0,0|1,0,0]=2 1408 B8R0.1 CCCNC(=O)CNC 2230a_100000174927_200000210301 [0,1,0,0,0,0|1,0,0]=2 1409 B8R0.1 CCCNC(=O)CNC 2230a_106832991635_100000183358 [0,1,0,0,0,0|1,0,0]=2 1410 B8R0.1 CCCNC(=O)CNC 34a_100102657272_100000183358 [0,1,0,0,0,0|1,0,0]=2 1411 B8R0.1 CCCNC(=O)CNC 7a_106832991635_100000183358 [0,1,0,0,0,0|1,0,0]=2 1412 B8R0.1 CCCNC(=O)CN[13CH3] 2230a_100000174927_200025704644 [0,1,0,0,0,0|1,0,0]=2 1413 B8R0.1 CCCNC(=O)COC 11a_100020643023_100000210968 [0,1,0,0,0,0|1,0,0]=2 1414 B8R0.1 CCCNC(=O)COC 1626a_100020643023_100000210968 [0,1,0,0,0,0|1,0,0]=2 1415 B8R0.1 CCCNC(=O)COC 240690a_100020643023_100000210968 [0,1,0,0,0,0|1,0,0]=2 1416 B8R0.1 CCCNC(=O)COC 34a_100138415774_100000183358 [0,1,0,0,0,0|1,0,0]=2 1417 B8R0.1 CCCNC(=O)COC 527a_100020643023_100000210968 [0,1,0,0,0,0|1,0,0]=2 1418 B8R0.1 CCCNC(=O)CSC 11a_100020643023_100000184570 [0,1,0,0,0,0|1,0,0]=2 1419 B8R0.1 CCCNC(=O)CSC 1626a_100020643023_100000184570 [0,1,0,0,0,0|1,0,0]=2 1420 B8R0.1 CCCNC(=O)CSC 240690a_100020643023_100000184570 [0,1,0,0,0,0|1,0,0]=2 1421 B8R0.1 CCCNC(=O)CSC 527a_100020643023_100000184570 [0,1,0,0,0,0|1,0,0]=2 1422 B8R0.1 CCCNC(=O)CSC 62a_100000183358_200000210301 [0,1,0,0,0,0|1,0,0]=2 1423 B8R0.1 CCCNC(=O)CSC 62a_200000210301_100000183358 [0,1,0,0,0,0|1,0,0]=2 1424 B8R0.1 CCCNC(=O)CS[13CH3] 62a_100000183358_200025704644 [0,1,0,0,0,0|1,0,0]=2 1425 B8R0.1 CCCNC(=O)CS[13CH3] 62a_200025704644_100000183358 [0,1,0,0,0,0|1,0,0]=2 1426 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [0,1,0,0,0,0|1,0,0]=2 1427 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [0,1,0,0,0,0|1,0,0]=2 1428 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [0,1,0,0,0,0|1,0,0]=2 1429 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [0,1,0,0,0,0|1,0,0]=2 1430 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [0,1,0,0,0,0|1,0,0]=2 1431 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [0,1,0,0,0,0|1,0,0]=2 1432 B8R0.1 CCCNC(=O)NNC 273464a_100020643023_100016993582 [0,1,0,0,0,0|2,0,0]=3 1433 B8R0.1 CCCNC(=O)NNC 512a_100016993582_100020643023 [0,1,0,0,0,0|2,0,0]=3 1434 B8R0.1 CCCNC(=O)NNC 512a_100020643023_100016993582 [0,1,0,0,0,0|2,0,0]=3 1435 B8R0.1 CCCNC(C)CCC 2230a_100000741246_100000210303 [0,1,0,0,0,0|2,0,1]=4 1436 B8R0.1 CCCNC(C)CCC 270004a_100020643023_100000211909 [0,1,0,0,0,0|2,0,1]=4 1437 B8R0.1 CCCNC(C)COC 270004a_100020643023_100000749346 [0,1,0,0,0,0|2,0,1]=4 1438 B8R0.1 CCCNC(C)CSC 270004a_100020643023_100011216314 [0,1,0,0,0,0|2,0,1]=4 1439 B8R0.1 CCCN[C@H](C)CCO 2230a_100000706166_100000210303 [0,1,0,0,0,0|2,0,1]=4 1440 B8R0.1 CCCN[C@H](C)CCO 34a_100000706166_100000210303 [0,1,0,0,0,0|2,0,1]=4 1441 B8R0.1 CCCN[C@H](C)COC 2230a_100000764878_100000210303 [0,1,0,0,0,0|2,0,1]=4 1442 B8R0.1 CCCOC(=O)CNC 2230a_106832991635_200011215008 [0,1,0,0,0,0|1,0,0]=2 1443 B8R0.1 CCCOC(=O)CNC 34a_100102657272_200011215008 [0,1,0,0,0,0|1,0,0]=2 1444 B8R0.1 CCCOC(=O)CNC 7a_106832991635_200011215008 [0,1,0,0,0,0|1,0,0]=2 1445 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [0,1,0,0,0,0|1,0,0]=2 1446 B8R0.1 CCCOC(=O)CSC 62a_200000210301_200011215008 [0,1,0,0,0,0|1,0,0]=2 1447 B8R0.1 CCCOC(=O)CSC 62a_200011215008_200000210301 [0,1,0,0,0,0|1,0,0]=2 1448 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200011215008_200025704644 [0,1,0,0,0,0|1,0,0]=2 1449 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200025704644_200011215008 [0,1,0,0,0,0|1,0,0]=2 1450 B8R0.1 CCCOC(C)CCBr 34a_100012276601_100000210303 [0,1,0,0,0,0|2,0,1]=4 1451 B8R0.1 CCCOC(C)CCC 34a_100000210258_100000766640 [0,1,0,0,0,0|2,0,1]=4 1452 B8R0.1 CCCOC(C)CCC 34a_100000764384_100000210303 [0,1,0,0,0,0|2,0,1]=4 1453 B8R0.1 CCCOC(C)CCC 7a_100000764384_100000210303 [0,1,0,0,0,0|2,0,1]=4 1454 B8R0.1 CCCOC(C)CCO 34a_100000210258_100009893172 [0,1,0,0,0,0|2,0,1]=4 1455 B8R0.1 CCCOC(C)CNC 2230a_100015185124_200000210301 [0,1,0,0,0,0|2,0,1]=4 1456 B8R0.1 CCCOC(C)CNC 34a_100015185124_200000210301 [0,1,0,0,0,0|2,0,1]=4 1457 B8R0.1 CCCOC(C)CN[13CH3] 2230a_100015185124_200025704644 [0,1,0,0,0,0|2,0,1]=4 1458 B8R0.1 CCCOC(C)CN[13CH3] 34a_100015185124_200025704644 [0,1,0,0,0,0|2,0,1]=4 1459 B8R0.1 CCCOC(C)COC 34a_100000210258_100000765312 [0,1,0,0,0,0|2,0,1]=4 1460 B8R0.1 CCCO[C@H](C)COC 34a_100011934205_100000210303 [0,1,0,0,0,0|2,0,1]=4 1461 B8R0.1 CCCSC(C)CCC 62a_100000210303_100000766640 [0,1,0,0,0,0|2,0,1]=4 1462 B8R0.1 CCCSC(C)CCC 62a_100000766640_100000210303 [0,1,0,0,0,0|2,0,1]=4 1463 B8R0.1 CCCSC(C)CCO 62a_100000210303_100009893172 [0,1,0,0,0,0|2,0,1]=4 1464 B8R0.1 CCCSC(C)CCO 62a_100009893172_100000210303 [0,1,0,0,0,0|2,0,1]=4 1465 B8R0.1 CCCSC(C)COC 62a_100000210303_100000765312 [0,1,0,0,0,0|2,0,1]=4 1466 B8R0.1 CCCSC(C)COC 62a_100000765312_100000210303 [0,1,0,0,0,0|2,0,1]=4 1467 B8R0.1 CCC[C@H](N)CCOC 34a_100015193777_200000210301 [0,1,0,0,0,0|2,0,1]=4 1468 B8R0.1 CCC[C@H](N)CCO[13CH3] 34a_100015193777_200025704644 [0,1,0,0,0,0|2,0,1]=4 1469 B8R0.1 CCC[C@H](N)COCC 34a_100000732646_100000210202 [0,1,0,0,0,0|2,0,1]=4 1470 B8R0.1 CCNC(=O)C=COC 240690a_100015525214_100016268678 [0,1,0,0,0,0|1,0,2]=4 1471 B8R0.1 CCNC(=O)CCC#N 11a_100015525214_100011934036 [0,1,0,0,0,0|1,0,1]=3 1472 B8R0.1 CCNC(=O)CCC#N 240690a_100015525214_100011934036 [0,1,0,0,0,0|1,0,1]=3 1473 B8R0.1 CCNC(=O)CCC#N 527a_100015525214_100011934036 [0,1,0,0,0,0|1,0,1]=3 1474 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [0,1,0,0,0,0|1,0,0]=2 1475 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [0,1,0,0,0,0|1,0,0]=2 1476 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [0,1,0,0,0,0|1,0,0]=2 1477 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [0,1,0,0,0,0|1,0,0]=2 1478 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [0,1,0,0,0,0|1,0,0]=2 1479 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [0,1,0,0,0,0|1,0,0]=2 1480 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [0,1,0,0,0,0|1,0,0]=2 1481 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [0,1,0,0,0,0|1,0,0]=2 1482 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [0,1,0,0,0,0|1,0,0]=2 1483 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [0,1,0,0,0,0|1,0,0]=2 1484 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [0,1,0,0,0,0|1,0,0]=2 1485 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [0,1,0,0,0,0|1,0,0]=2 1486 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [0,1,0,0,0,0|1,0,0]=2 1487 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [0,1,0,0,0,0|1,0,0]=2 1488 B8R0.1 CCNC(=O)CN=[N+]=[N-] 11a_100015525214_100000751907 [0,1,0,0,0,0|3,0,0]=4 1489 B8R0.1 CCNC(=O)CN=[N+]=[N-] 240690a_100015525214_100000751907 [0,1,0,0,0,0|3,0,0]=4 1490 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [0,1,0,0,0,0|1,0,0]=2 1491 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [0,1,0,0,0,0|1,0,0]=2 1492 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [0,1,0,0,0,0|1,0,0]=2 1493 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [0,1,0,0,0,0|1,0,0]=2 1494 B8R0.1 CCNC(=O)CSCC 11a_100015525214_100000230394 [0,1,0,0,0,0|1,0,0]=2 1495 B8R0.1 CCNC(=O)CSCC 240690a_100015525214_100000230394 [0,1,0,0,0,0|1,0,0]=2 1496 B8R0.1 CCNC(=O)CSCC 527a_100015525214_100000230394 [0,1,0,0,0,0|1,0,0]=2 1497 B8R0.1 CCNC(=O)CSCC 62a_100000183381_100000210202 [0,1,0,0,0,0|1,0,0]=2 1498 B8R0.1 CCNC(=O)CSCC 62a_100000210202_100000183381 [0,1,0,0,0,0|1,0,0]=2 1499 B8R0.1 CCNC(=O)CSCF 62a_100000183381_100015361967 [0,1,0,0,0,0|2,0,0]=3 1500 B8R0.1 CCNC(=O)CSCF 62a_100015361967_100000183381 [0,1,0,0,0,0|2,0,0]=3 1501 B8R0.1 CCNC(=O)NCC#N 2708a_100000734998_100015525214 [0,1,0,0,0,0|2,0,1]=4 1502 B8R0.1 CCNC(=O)NCC#N 273464a_100000734998_100015525214 [0,1,0,0,0,0|2,0,1]=4 1503 B8R0.1 CCNC(=O)NCC#N 273464a_100015525214_100000734998 [0,1,0,0,0,0|2,0,1]=4 1504 B8R0.1 CCNC(=O)NCC#N 512a_100000734998_100015525214 [0,1,0,0,0,0|2,0,1]=4 1505 B8R0.1 CCNC(=O)NCC#N 512a_100015525214_100000734998 [0,1,0,0,0,0|2,0,1]=4 1506 B8R0.1 CCNC(=O)NCCF 2708a_100015525214_100000724931 [0,1,0,0,0,0|2,0,0]=3 1507 B8R0.1 CCNC(=O)NCCF 273464a_100000724931_100015525214 [0,1,0,0,0,0|2,0,0]=3 1508 B8R0.1 CCNC(=O)NCCF 273464a_100015525214_100000724931 [0,1,0,0,0,0|2,0,0]=3 1509 B8R0.1 CCNC(=O)NCCF 512a_100015525214_100000724931 [0,1,0,0,0,0|2,0,0]=3 1510 B8R0.1 CCNC(=O)NCCO 2708a_100015525214_100000210304 [0,1,0,0,0,0|2,0,0]=3 1511 B8R0.1 CCNC(=O)NCCO 273464a_100000210304_100015525214 [0,1,0,0,0,0|2,0,0]=3 1512 B8R0.1 CCNC(=O)NCCO 273464a_100015525214_100000210304 [0,1,0,0,0,0|2,0,0]=3 1513 B8R0.1 CCNC(=O)NCCO 512a_100015525214_100000210304 [0,1,0,0,0,0|2,0,0]=3 1514 B8R0.1 CCNC(C)CCOC 270004a_100015525214_100000742357 [0,1,0,0,0,0|2,0,1]=4 1515 B8R0.1 CCNC(C)CCSC 270004a_100015525214_100011217047 [0,1,0,0,0,0|2,0,1]=4 1516 B8R0.1 CCNC(C)CSCC 270004a_100015525214_200011216171 [0,1,0,0,0,0|2,0,1]=4 1517 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [0,1,0,0,0,0|1,0,0]=2 1518 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [0,1,0,0,0,0|1,0,0]=2 1519 B8R0.1 CCNCC(=O)NCO 2230a_100015525214_100000185155 [0,1,0,0,0,0|2,0,0]=3 1520 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [0,1,0,0,0,0|1,0,0]=2 1521 B8R0.1 CCNCC(O)COC 2230a_100000756049_100000210202 [0,1,0,0,0,0|1,0,2]=4 1522 B8R0.1 CCNCC(O)COC 34a_100000756049_100000210202 [0,1,0,0,0,0|1,0,2]=4 1523 B8R0.1 CCNN=C(C)COC 4a_100000756455_100000749346 [0,1,0,0,0,0|3,0,0]=4 1524 B8R0.1 CCNN=C(C)CSC 4a_100000756455_100011216314 [0,1,0,0,0,0|3,0,0]=4 1525 B8R0.1 CCNNC(=O)CC#N 22a_100000756455_100051588842 [0,1,0,0,0,0|2,0,1]=4 1526 B8R0.1 CCNNC(=O)CCO 22a_100000756455_100011216618 [0,1,0,0,0,0|2,0,0]=3 1527 B8R0.1 CCNNC(=O)COC 22a_100000756455_100000210968 [0,1,0,0,0,0|2,0,0]=3 1528 B8R0.1 CCNNC(=O)CSC 22a_100000756455_100000184570 [0,1,0,0,0,0|2,0,0]=3 1529 B8R0.1 CCNNC(=O)NCC 273464a_100015525214_100000756455 [0,1,0,0,0,0|2,0,0]=3 1530 B8R0.1 CCNNC(=O)NCC 512a_100000756455_100015525214 [0,1,0,0,0,0|2,0,0]=3 1531 B8R0.1 CCNNC(=O)NCC 512a_100015525214_100000756455 [0,1,0,0,0,0|2,0,0]=3 1532 B8R0.1 CCNNC(=O)NNC 512a_100000756455_100016993582 [0,1,0,0,0,0|3,0,0]=4 1533 B8R0.1 CCNNC(=O)NNC 512a_100016993582_100000756455 [0,1,0,0,0,0|3,0,0]=4 1534 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [0,1,0,0,0,0|1,0,0]=2 1535 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [0,1,0,0,0,0|1,0,0]=2 1536 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [0,1,0,0,0,0|1,0,0]=2 1537 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [0,1,0,0,0,0|1,0,0]=2 1538 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [0,1,0,0,0,0|1,0,0]=2 1539 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [0,1,0,0,0,0|1,0,0]=2 1540 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [0,1,0,0,0,0|1,0,0]=2 1541 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [0,1,0,0,0,0|1,0,0]=2 1542 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [0,1,0,0,0,0|1,0,0]=2 1543 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [0,1,0,0,0,0|1,0,0]=2 1544 B8R0.1 CCOC(=O)CSCF 62a_100000188475_100015361967 [0,1,0,0,0,0|2,0,0]=3 1545 B8R0.1 CCOC(=O)CSCF 62a_100015361967_100000188475 [0,1,0,0,0,0|2,0,0]=3 1546 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [0,1,0,0,0,0|2,0,0]=3 1547 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [0,1,0,0,0,0|2,0,0]=3 1548 B8R0.1 CCOC(C)CCCCl 34a_200000718107_100000210202 [0,1,0,0,0,0|2,0,1]=4 1549 B8R0.1 CCOC(C)CCCCl 7a_200000718107_100000210202 [0,1,0,0,0,0|2,0,1]=4 1550 B8R0.1 CCOCC(=O)CC#N 1458a_100000211967_100011214920 [0,1,0,0,0,0|1,0,1]=3 1551 B8R0.1 CCOCC(=O)CCF 1458a_100000211967_100011217306 [0,1,0,0,0,0|1,0,0]=2 1552 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [0,1,0,0,0,0|1,0,0]=2 1553 B8R0.1 CCOCC(=O)NCO 34a_100121572206_100000185155 [0,1,0,0,0,0|2,0,0]=3 1554 B8R0.1 CCOCC(=O)NNC 22a_100016993582_100000211967 [0,1,0,0,0,0|2,0,0]=3 1555 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [0,1,0,0,0,0|1,0,0]=2 1556 B8R0.1 CCOCC(C)CCN 34a_106354213184_100000210202 [0,1,0,0,0,0|2,0,1]=4 1557 B8R0.1 CCOCC(C)OCC 34a_100000718985_100000210202 [0,1,0,0,0,0|2,0,1]=4 1558 B8R0.1 CCOCC(C)OCC 7a_100000718985_100000210202 [0,1,0,0,0,0|2,0,1]=4 1559 B8R0.1 CCOCC(N)COC 34a_100000724102_100000210202 [0,1,0,0,0,0|2,0,1]=4 1560 B8R0.1 CCOCC(O)CNC 2230a_102515437182_200000210301 [0,1,0,0,0,0|1,0,2]=4 1561 B8R0.1 CCOCC(O)CNC 34a_102515437182_200000210301 [0,1,0,0,0,0|1,0,2]=4 1562 B8R0.1 CCOCC(O)CN[13CH3] 2230a_102515437182_200025704644 [0,1,0,0,0,0|1,0,2]=4 1563 B8R0.1 CCOCC(O)CN[13CH3] 34a_102515437182_200025704644 [0,1,0,0,0,0|1,0,2]=4 1564 B8R0.1 CCOCC(O)COC 34a_100121572206_100011215053 [0,1,0,0,0,0|1,0,2]=4 1565 B8R0.1 CCOCN(C)CCO 269982a_100000210263_100000739092 [0,1,0,0,0,0|3,0,0]=4 1566 B8R0.1 CCSCC(=O)CC#N 1458a_100000230394_100011214920 [0,1,0,0,0,0|1,0,1]=3 1567 B8R0.1 CCSCC(=O)CCF 1458a_100000230394_100011217306 [0,1,0,0,0,0|1,0,0]=2 1568 B8R0.1 CCSCC(=O)CCO 1458a_100000230394_100000211926 [0,1,0,0,0,0|1,0,0]=2 1569 B8R0.1 CCSCC(=O)NCO 62a_100000185155_100000210202 [0,1,0,0,0,0|2,0,0]=3 1570 B8R0.1 CCSCC(=O)NCO 62a_100000210202_100000185155 [0,1,0,0,0,0|2,0,0]=3 1571 B8R0.1 CCSCC(=O)NNC 22a_100016993582_100000230394 [0,1,0,0,0,0|2,0,0]=3 1572 B8R0.1 CCSCC(O)COC 62a_100000210202_100011215053 [0,1,0,0,0,0|1,0,2]=4 1573 B8R0.1 CCSCC(O)COC 62a_100011215053_100000210202 [0,1,0,0,0,0|1,0,2]=4 1574 B8R0.1 CN(CCF)CCCO 2230a_100000213112_100011217306 [0,1,0,0,0,0|3,0,0]=4 1575 B8R0.1 CN(CCF)CCCO 269982a_100000213112_100011217306 [0,1,0,0,0,0|3,0,0]=4 1576 B8R0.1 CN(CCO)CCCF 2230a_100000210263_100011934791 [0,1,0,0,0,0|3,0,0]=4 1577 B8R0.1 CN(CCO)CCCF 269982a_100000210263_100011934791 [0,1,0,0,0,0|3,0,0]=4 1578 B8R0.1 CN(CCO)CCCO 2230a_100000210263_100000230001 [0,1,0,0,0,0|3,0,0]=4 1579 B8R0.1 CN(CCO)CCCO 2230a_100000213112_100000211926 [0,1,0,0,0,0|3,0,0]=4 1580 B8R0.1 CN(CCO)CCCO 2230a_200000212863_200000210301 [0,1,0,0,0,0|3,0,0]=4 1581 B8R0.1 CN(CCO)CCCO 269982a_100000210263_100011215043 [0,1,0,0,0,0|3,0,0]=4 1582 B8R0.1 CN(CCO)CCCO 269982a_100000213112_100000211926 [0,1,0,0,0,0|3,0,0]=4 1583 B8R0.1 CN(CCO)CCCO 269982a_200000212863_200000210301 [0,1,0,0,0,0|3,0,0]=4 1584 B8R0.1 CNCC(=O)NCC#N 2230a_106832991635_100000736037 [0,1,0,0,0,0|2,0,1]=4 1585 B8R0.1 CNCC(=O)NCC#N 7a_106832991635_100000736037 [0,1,0,0,0,0|2,0,1]=4 1586 B8R0.1 CNCC(=O)NCCF 2230a_100000725713_200000210301 [0,1,0,0,0,0|2,0,0]=3 1587 B8R0.1 CNC[C@H](C)CCCO 2230a_100160569302_200000210301 [0,1,0,0,0,0|2,0,1]=4 1588 B8R0.1 CNC[C@H](C)CCCO 34a_100160569302_200000210301 [0,1,0,0,0,0|2,0,1]=4 1589 B8R0.1 CNNC(=O)CCC#N 22a_100016993582_100011934036 [0,1,0,0,0,0|2,0,1]=4 1590 B8R0.1 CNNC(=O)CCOC 22a_100016993582_100000749529 [0,1,0,0,0,0|2,0,0]=3 1591 B8R0.1 CNNC(=O)CCSC 22a_100016993582_100000174002 [0,1,0,0,0,0|2,0,0]=3 1592 B8R0.1 CNNC(=O)NCCF 273464a_100000724931_100016993582 [0,1,0,0,0,0|3,0,0]=4 1593 B8R0.1 CNNC(=O)NCCF 512a_100016993582_100000724931 [0,1,0,0,0,0|3,0,0]=4 1594 B8R0.1 CNNC(=O)NCCO 273464a_100000210304_100016993582 [0,1,0,0,0,0|3,0,0]=4 1595 B8R0.1 CNNC(=O)NCCO 512a_100016993582_100000210304 [0,1,0,0,0,0|3,0,0]=4 1596 B8R0.1 COC=CC(=O)CCF 1458a_100016268678_100011217306 [0,1,0,0,0,0|1,0,2]=4 1597 B8R0.1 COC=CC(=O)CCO 1458a_100016268678_100000211926 [0,1,0,0,0,0|1,0,2]=4 1598 B8R0.1 COCC(=O)CCC#N 1458a_100000210968_100011215226 [0,1,0,0,0,0|1,0,1]=3 1599 B8R0.1 COCC(=O)CCCF 1458a_100000210968_100011934791 [0,1,0,0,0,0|1,0,0]=2 1600 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [0,1,0,0,0,0|1,0,0]=2 1601 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [0,1,0,0,0,0|1,0,0]=2 1602 B8R0.1 COCC(=O)NCC#N 1626a_100000734998_100000210968 [0,1,0,0,0,0|2,0,1]=4 1603 B8R0.1 COCC(=O)NCC#N 527a_100000734998_100000210968 [0,1,0,0,0,0|2,0,1]=4 1604 B8R0.1 COCC(=O)NCCF 11a_100000724931_100000210968 [0,1,0,0,0,0|2,0,0]=3 1605 B8R0.1 COCC(=O)NCCF 1626a_100000724931_100000210968 [0,1,0,0,0,0|2,0,0]=3 1606 B8R0.1 COCC(=O)NCCF 240690a_100000724931_100000210968 [0,1,0,0,0,0|2,0,0]=3 1607 B8R0.1 COCC(=O)NCCF 527a_100000724931_100000210968 [0,1,0,0,0,0|2,0,0]=3 1608 B8R0.1 COCC(=O)NCCO 240690a_100000210304_100000210968 [0,1,0,0,0,0|2,0,0]=3 1609 B8R0.1 COCC(=O)NCCO 527a_100000210304_100000210968 [0,1,0,0,0,0|2,0,0]=3 1610 B8R0.1 COCCC(=O)C=CBr 1458a_100016273825_100000233755 [0,1,0,0,0,0|1,0,2]=4 1611 B8R0.1 COCCC(=O)C=CCl 1458a_200016279998_100000233755 [0,1,0,0,0,0|1,0,2]=4 1612 B8R0.1 COCCC(=O)C=CI 1458a_100016256311_100000233755 [0,1,0,0,0,0|1,0,2]=4 1613 B8R0.1 COCCC(=O)CC#N 1458a_100000749529_100011214920 [0,1,0,0,0,0|1,0,1]=3 1614 B8R0.1 COCCC(=O)CC#N 1458a_100051588842_100000233755 [0,1,0,0,0,0|1,0,1]=3 1615 B8R0.1 COCCC(=O)CCF 1458a_100000749529_100011217306 [0,1,0,0,0,0|1,0,0]=2 1616 B8R0.1 COCCC(=O)CCO 1458a_100000749529_100000211926 [0,1,0,0,0,0|1,0,0]=2 1617 B8R0.1 COCCC(=O)CCO 1458a_100011216618_100000233755 [0,1,0,0,0,0|1,0,0]=2 1618 B8R0.1 COCCC(=O)COC 1458a_100000210968_100000233755 [0,1,0,0,0,0|1,0,0]=2 1619 B8R0.1 COCCC(=O)CSC 1458a_100000184570_100000233755 [0,1,0,0,0,0|1,0,0]=2 1620 B8R0.1 COCCN(C)CCF 2230a_100000743101_100011217306 [0,1,0,0,0,0|3,0,0]=4 1621 B8R0.1 COCCN(C)CCF 269982a_100000743101_100011217306 [0,1,0,0,0,0|3,0,0]=4 1622 B8R0.1 COCCN(C)CCO 2230a_100000210263_100011201679 [0,1,0,0,0,0|3,0,0]=4 1623 B8R0.1 COCCN(C)CCO 2230a_100000743101_100000211926 [0,1,0,0,0,0|3,0,0]=4 1624 B8R0.1 COCCN(C)CCO 269982a_100000210263_100000233755 [0,1,0,0,0,0|3,0,0]=4 1625 B8R0.1 COCCN(C)CCO 269982a_100000743101_100000211926 [0,1,0,0,0,0|3,0,0]=4 1626 B8R0.1 COCCN(C)COC 2230a_100000743101_100000766300 [0,1,0,0,0,0|3,0,0]=4 1627 B8R0.1 COCCN(C)COC 269982a_100000743101_100000766300 [0,1,0,0,0,0|3,0,0]=4 1628 B8R0.1 COCCN(C)CSC 2230a_100000743101_100011218213 [0,1,0,0,0,0|3,0,0]=4 1629 B8R0.1 COCCN(C)CSC 269982a_100000743101_100011218213 [0,1,0,0,0,0|3,0,0]=4 1630 B8R0.1 COCN(C)CCCO 2230a_100000213112_100000766300 [0,1,0,0,0,0|3,0,0]=4 1631 B8R0.1 COCN(C)CCCO 269982a_100000213112_100000766300 [0,1,0,0,0,0|3,0,0]=4 1632 B8R0.1 COCN(C)CCSC 2230a_100000686725_100000766300 [0,1,0,0,0,0|3,0,0]=4 1633 B8R0.1 COCN(C)CCSC 269982a_100000686725_100000766300 [0,1,0,0,0,0|3,0,0]=4 1634 B8R0.1 COC[C@@H](N)CCSC 34a_100011827619_200000210301 [0,1,0,0,0,0|2,0,1]=4 1635 B8R0.1 CSCC(=O)CCC#N 1458a_100000184570_100011215226 [0,1,0,0,0,0|1,0,1]=3 1636 B8R0.1 CSCC(=O)CCCF 1458a_100000184570_100011934791 [0,1,0,0,0,0|1,0,0]=2 1637 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [0,1,0,0,0,0|1,0,0]=2 1638 B8R0.1 CSCC(=O)NCC#N 1626a_100000734998_100000184570 [0,1,0,0,0,0|2,0,1]=4 1639 B8R0.1 CSCC(=O)NCC#N 527a_100000734998_100000184570 [0,1,0,0,0,0|2,0,1]=4 1640 B8R0.1 CSCC(=O)NCC#N 62a_100000736037_200000210301 [0,1,0,0,0,0|2,0,1]=4 1641 B8R0.1 CSCC(=O)NCC#N 62a_200000210301_100000736037 [0,1,0,0,0,0|2,0,1]=4 1642 B8R0.1 CSCC(=O)NCCF 11a_100000724931_100000184570 [0,1,0,0,0,0|2,0,0]=3 1643 B8R0.1 CSCC(=O)NCCF 1626a_100000724931_100000184570 [0,1,0,0,0,0|2,0,0]=3 1644 B8R0.1 CSCC(=O)NCCF 240690a_100000724931_100000184570 [0,1,0,0,0,0|2,0,0]=3 1645 B8R0.1 CSCC(=O)NCCF 527a_100000724931_100000184570 [0,1,0,0,0,0|2,0,0]=3 1646 B8R0.1 CSCC(=O)NCCO 240690a_100000210304_100000184570 [0,1,0,0,0,0|2,0,0]=3 1647 B8R0.1 CSCC(=O)NCCO 527a_100000210304_100000184570 [0,1,0,0,0,0|2,0,0]=3 1648 B8R0.1 CSCCC(=O)C=CBr 1458a_100016273825_100000751147 [0,1,0,0,0,0|1,0,2]=4 1649 B8R0.1 CSCCC(=O)C=CCl 1458a_200016279998_100000751147 [0,1,0,0,0,0|1,0,2]=4 1650 B8R0.1 CSCCC(=O)C=CI 1458a_100016256311_100000751147 [0,1,0,0,0,0|1,0,2]=4 1651 B8R0.1 CSCCC(=O)CC#N 1458a_100000174002_100011214920 [0,1,0,0,0,0|1,0,1]=3 1652 B8R0.1 CSCCC(=O)CC#N 1458a_100051588842_100000751147 [0,1,0,0,0,0|1,0,1]=3 1653 B8R0.1 CSCCC(=O)CCF 1458a_100000174002_100011217306 [0,1,0,0,0,0|1,0,0]=2 1654 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [0,1,0,0,0,0|1,0,0]=2 1655 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [0,1,0,0,0,0|1,0,0]=2 1656 B8R0.1 CSCCC(=O)CSC 1458a_100000184570_100000751147 [0,1,0,0,0,0|1,0,0]=2 1657 B8R0.1 CSCCN(C)CCF 2230a_100000686725_100011217306 [0,1,0,0,0,0|3,0,0]=4 1658 B8R0.1 CSCCN(C)CCF 269982a_100000686725_100011217306 [0,1,0,0,0,0|3,0,0]=4 1659 B8R0.1 CSCCN(C)CCO 2230a_100000210263_100000751147 [0,1,0,0,0,0|3,0,0]=4 1660 B8R0.1 CSCCN(C)CCO 2230a_100000686725_100000211926 [0,1,0,0,0,0|3,0,0]=4 1661 B8R0.1 CSCCN(C)CCO 269982a_100000210263_100000212216 [0,1,0,0,0,0|3,0,0]=4 1662 B8R0.1 CSCCN(C)CCO 269982a_100000686725_100000211926 [0,1,0,0,0,0|3,0,0]=4 1663 B8R0.1 CSCCN(C)CSC 2230a_100000686725_100011218213 [0,1,0,0,0,0|3,0,0]=4 1664 B8R0.1 CSCCN(C)CSC 269982a_100000686725_100011218213 [0,1,0,0,0,0|3,0,0]=4 1665 B8R0.1 CSCC[C@H](N)CO[13CH3] 34a_100011827619_200025704644 [0,1,0,0,0,0|2,0,1]=4 1666 B8R0.1 CSCN(C)CCCO 2230a_100000213112_100011218213 [0,1,0,0,0,0|3,0,0]=4 1667 B8R0.1 CSCN(C)CCCO 269982a_100000213112_100011218213 [0,1,0,0,0,0|3,0,0]=4 1668 B8R0.1 C[C@H](CCCO)CN[13CH3] 2230a_100160569302_200025704644 [0,1,0,0,0,0|2,0,1]=4 1669 B8R0.1 C[C@H](CCCO)CN[13CH3] 34a_100160569302_200025704644 [0,1,0,0,0,0|2,0,1]=4 1670 B8R0.1 N#CCC(=O)CCCF 1458a_100051588842_100011934791 [0,1,0,0,0,0|1,0,1]=3 1671 B8R0.1 N#CCC(=O)CCCO 1458a_100051588842_100011215043 [0,1,0,0,0,0|1,0,1]=3 1672 B8R0.1 N#CCC(=O)NCCF 1626a_100000724931_100051588842 [0,1,0,0,0,0|2,0,1]=4 1673 B8R0.1 N#CCC(=O)NCCF 240690a_100000724931_100051588842 [0,1,0,0,0,0|2,0,1]=4 1674 B8R0.1 N#CCC(=O)NCCO 240690a_100000210304_100051588842 [0,1,0,0,0,0|2,0,1]=4 1675 B8R0.1 N#CCCC(=O)CC#N 1458a_100011934036_100011214920 [0,1,0,0,0,0|1,0,2]=4 1676 B8R0.1 N#CCCC(=O)CC#N 1458a_100051588842_100011215226 [0,1,0,0,0,0|1,0,2]=4 1677 B8R0.1 N#CCCC(=O)CCF 1458a_100011934036_100011217306 [0,1,0,0,0,0|1,0,1]=3 1678 B8R0.1 N#CCCC(=O)CCO 1458a_100011216618_100011215226 [0,1,0,0,0,0|1,0,1]=3 1679 B8R0.1 N#CCCC(=O)CCO 1458a_100011934036_100000211926 [0,1,0,0,0,0|1,0,1]=3 1680 B8R0.1 O=C(C#CCO)CCF 1458a_100000049017_100011217306 [0,1,0,0,0,0|1,0,2]=4 1681 B8R0.1 O=C(C#CCO)CCO 1458a_100000049017_100000211926 [0,1,0,0,0,0|1,0,2]=4 1682 B8R0.1 O=C(C=CBr)CCCF 1458a_100016273825_100011934791 [0,1,0,0,0,0|1,0,2]=4 1683 B8R0.1 O=C(C=CBr)CCCO 1458a_100016273825_100011215043 [0,1,0,0,0,0|1,0,2]=4 1684 B8R0.1 O=C(C=CCl)CCCF 1458a_200016279998_100011934791 [0,1,0,0,0,0|1,0,2]=4 1685 B8R0.1 O=C(C=CCl)CCCO 1458a_200016279998_100011215043 [0,1,0,0,0,0|1,0,2]=4 1686 B8R0.1 O=C(C=CI)CCCF 1458a_100016256311_100011934791 [0,1,0,0,0,0|1,0,2]=4 1687 B8R0.1 O=C(C=CI)CCCO 1458a_100016256311_100011215043 [0,1,0,0,0,0|1,0,2]=4 1688 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [0,1,0,0,0,0|1,0,0]=2 1689 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [0,1,0,0,0,0|1,0,0]=2 1690 B8R0.1 O=C(CCO)NCCF 240690a_100000724931_100011216618 [0,1,0,0,0,0|2,0,0]=3 1691 B8R0.1 O=C(CCO)NCCO 240690a_100000210304_100011216618 [0,1,0,0,0,0|2,0,0]=3 1692 B8R0.1 O=C(CSCF)NCO 62a_100000185155_100015361967 [0,1,0,0,0,0|3,0,0]=4 1693 B8R0.1 O=C(CSCF)NCO 62a_100015361967_100000185155 [0,1,0,0,0,0|3,0,0]=4 1694 B8R0.1 [13CH3]N(CCO)CCCO 2230a_200000212863_200025704644 [0,1,0,0,0,0|3,0,0]=4 1695 B8R0.1 [13CH3]N(CCO)CCCO 269982a_200000212863_200025704644 [0,1,0,0,0,0|3,0,0]=4 1696 B8R0.1 [13CH3]NCC(=O)NCCF 2230a_100000725713_200025704644 [0,1,0,0,0,0|2,0,0]=3 1697 B8R0.1 [13CH3]SCC(=O)NCC#N 62a_100000736037_200025704644 [0,1,0,0,0,0|2,0,1]=4 1698 B8R0.1 [13CH3]SCC(=O)NCC#N 62a_200025704644_100000736037 [0,1,0,0,0,0|2,0,1]=4 1699 B8R0.3 C#CC(=O)C(C)CCC 1458a_100000211873_100000766640 [0,1,0,0,0,0|0,0,2]=3 1700 B8R0.3 C#CC(=O)C(C)CCO 1458a_100000211873_100009893172 [0,1,0,0,0,0|1,0,2]=4 1701 B8R0.3 C#CC(=O)C(C)COC 1458a_100000211873_100000765312 [0,1,0,0,0,0|1,0,2]=4 1702 B8R0.3 C#CCN(C)C(=O)CC 11a_100000225692_100000210414 [0,1,0,0,0,0|1,0,2]=4 1703 B8R0.3 C#CCN(C)C(=O)CC 1626a_100000225692_100000210414 [0,1,0,0,0,0|1,0,2]=4 1704 B8R0.3 C#CCN(C)C(=O)CC 527a_100000225692_100000210414 [0,1,0,0,0,0|1,0,2]=4 1705 B8R0.3 C/C=C(\C)/C(=O)CCC 1458a_100020587367_100000210303 [0,1,0,0,0,0|1,0,2]=4 1706 B8R0.3 C/C=C(\C)/C(C)NCC 269862a_100015525214_100020675665 [0,1,0,0,0,0|2,0,1]=4 1707 B8R0.3 C=C(CNC)C(=O)OC 34a_100102657272_100009813391 [0,1,0,0,0,0|2,0,1]=4 1708 B8R0.3 C=C(COC)C(=O)OC 34a_100138415774_100009813391 [0,1,0,0,0,0|2,0,1]=4 1709 B8R0.3 C=C(CSC)C(=O)OC 62a_100009813391_200000210301 [0,1,0,0,0,0|2,0,1]=4 1710 B8R0.3 C=C(CSC)C(=O)OC 62a_200000210301_100009813391 [0,1,0,0,0,0|2,0,1]=4 1711 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_100009813391_200025704644 [0,1,0,0,0,0|2,0,1]=4 1712 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_200025704644_100009813391 [0,1,0,0,0,0|2,0,1]=4 1713 B8R0.3 C=CC(=O)C(C)CCC 1458a_100000185746_100000766640 [0,1,0,0,0,0|0,0,2]=3 1714 B8R0.3 C=CC(=O)C(C)CCO 1458a_100000185746_100009893172 [0,1,0,0,0,0|1,0,2]=4 1715 B8R0.3 C=CC(=O)C(C)COC 1458a_100000185746_100000765312 [0,1,0,0,0,0|1,0,2]=4 1716 B8R0.3 C=CC(=O)N(C)CCC 1626a_100000747261_100000185746 [0,1,0,0,0,0|1,0,2]=4 1717 B8R0.3 C=CC(=O)N(C)CCC 240690a_100000747261_200121576911 [0,1,0,0,0,0|1,0,2]=4 1718 B8R0.3 C=CCC(C)C(=O)CC 1458a_100011216819_100000210202 [0,1,0,0,0,0|0,0,2]=3 1719 B8R0.3 C=CCC(C)C(=O)CF 1458a_100011216819_100015361967 [0,1,0,0,0,0|1,0,2]=4 1720 B8R0.3 C=CCC(C)C(=O)NC 11a_106832991635_100011216819 [0,1,0,0,0,0|1,0,2]=4 1721 B8R0.3 C=CCC(C)C(=O)NC 1626a_100102657272_100011216819 [0,1,0,0,0,0|1,0,2]=4 1722 B8R0.3 C=CCC(C)C(=O)NC 240690a_100102657272_100011216819 [0,1,0,0,0,0|1,0,2]=4 1723 B8R0.3 C=CCC(C)C(=O)NC 527a_100102657272_100011216819 [0,1,0,0,0,0|1,0,2]=4 1724 B8R0.3 C=CCN(C)C(=O)CC 11a_100000225617_100000210414 [0,1,0,0,0,0|1,0,2]=4 1725 B8R0.3 C=CCN(C)C(=O)CC 1626a_100000225617_100000210414 [0,1,0,0,0,0|1,0,2]=4 1726 B8R0.3 C=CCN(C)C(=O)CC 240690a_100000225617_100000210414 [0,1,0,0,0,0|1,0,2]=4 1727 B8R0.3 C=CCN(C)C(=O)CC 527a_100000225617_100000210414 [0,1,0,0,0,0|1,0,2]=4 1728 B8R0.3 CC(CC#N)C(=O)CO 1458a_100000210174_100009813641 [0,1,0,0,0,0|2,0,1]=4 1729 B8R0.3 CC(CCO)C(=O)CO 1458a_100000210174_100009893172 [0,1,0,0,0,0|2,0,0]=3 1730 B8R0.3 CC/C=C(\C)/C(=O)CC 1458a_100016988807_100000210202 [0,1,0,0,0,0|0,0,2]=3 1731 B8R0.3 CC/C=C(\C)/C(=O)CF 1458a_100016988807_100015361967 [0,1,0,0,0,0|1,0,2]=4 1732 B8R0.3 CC/C=C(\C)/C(=O)NC 11a_106832991635_100016988807 [0,1,0,0,0,0|1,0,2]=4 1733 B8R0.3 CC/C=C(\C)/C(=O)NC 1626a_100102657272_100016988807 [0,1,0,0,0,0|1,0,2]=4 1734 B8R0.3 CC/C=C(\C)/C(=O)NC 240690a_100102657272_100016988807 [0,1,0,0,0,0|1,0,2]=4 1735 B8R0.3 CC/C=C(\C)/C(=O)NC 527a_100102657272_100016988807 [0,1,0,0,0,0|1,0,2]=4 1736 B8R0.3 CCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210202 [0,1,0,0,0,0|2,0,1]=4 1737 B8R0.3 CCC(=O)C(C)CC#N 1458a_100000210414_100009813641 [0,1,0,0,0,0|1,0,1]=3 1738 B8R0.3 CCC(=O)C(C)CCO 1458a_100000210414_100009893172 [0,1,0,0,0,0|1,0,0]=2 1739 B8R0.3 CCC(=O)C(C)COC 1458a_100000210414_100000765312 [0,1,0,0,0,0|1,0,0]=2 1740 B8R0.3 CCC(=O)C(C)COC 1458a_100000751857_100000210202 [0,1,0,0,0,0|1,0,0]=2 1741 B8R0.3 CCC(=O)C(C)CSC 1458a_100000753918_100000210202 [0,1,0,0,0,0|1,0,0]=2 1742 B8R0.3 CCC(=O)C(C)SCF 62a_100000742827_100015361967 [0,1,0,0,0,0|2,0,0]=3 1743 B8R0.3 CCC(=O)C(C)SCF 62a_100015361967_100000742827 [0,1,0,0,0,0|2,0,0]=3 1744 B8R0.3 CCC(=O)N(C)CC#N 11a_100000748184_100000210414 [0,1,0,0,0,0|2,0,1]=4 1745 B8R0.3 CCC(=O)N(C)CC#N 1626a_100000748184_100000210414 [0,1,0,0,0,0|2,0,1]=4 1746 B8R0.3 CCC(=O)N(C)CCO 240690a_100000210263_100000210414 [0,1,0,0,0,0|2,0,0]=3 1747 B8R0.3 CCC(=O)N(C)CCO 527a_100000210263_100000210414 [0,1,0,0,0,0|2,0,0]=3 1748 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [0,1,0,0,0,0|1,0,1]=3 1749 B8R0.3 CCCC(=O)C(C)CC 1458a_100000211992_100000758301 [0,1,0,0,0,0|1,0,2]=4 1750 B8R0.3 CCCC(=O)C(C)CC 1458a_100011192722_100000210303 [0,1,0,0,0,0|1,0,2]=4 1751 B8R0.3 CCCC(=O)C(O)CC 1458a_100011196387_100000210303 [0,1,0,0,0,0|0,0,3]=4 1752 B8R0.3 CCCC(=O)N(C)CC 11a_100000225621_100000211992 [0,1,0,0,0,0|2,0,1]=4 1753 B8R0.3 CCCC(=O)N(C)CC 1626a_100000225621_100000211992 [0,1,0,0,0,0|2,0,1]=4 1754 B8R0.3 CCCC(=O)N(C)CC 240690a_100000225621_100000211992 [0,1,0,0,0,0|2,0,1]=4 1755 B8R0.3 CCCC(=O)N(C)CC 527a_100000225621_100000211992 [0,1,0,0,0,0|2,0,1]=4 1756 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [0,1,0,0,0,0|0,0,0]=1 1757 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [0,1,0,0,0,0|0,0,0]=1 1758 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [0,1,0,0,0,0|1,0,0]=2 1759 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [0,1,0,0,0,0|1,0,0]=2 1760 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [0,1,0,0,0,0|1,0,0]=2 1761 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [0,1,0,0,0,0|1,0,0]=2 1762 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [0,1,0,0,0,0|1,0,0]=2 1763 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [0,1,0,0,0,0|1,0,0]=2 1764 B8R0.3 CCCC(C)C(C)NC 270004a_106832991635_100011216282 [0,1,0,0,0,0|2,0,1]=4 1765 B8R0.3 CCCC(C)C(C)OC 34a_100000708338_200000210301 [0,1,0,0,0,0|2,0,1]=4 1766 B8R0.3 CCCC(C)C(C)OC 7a_100000708338_200000210301 [0,1,0,0,0,0|2,0,1]=4 1767 B8R0.3 CCCC(C)C(C)O[13CH3] 34a_100000708338_200025704644 [0,1,0,0,0,0|2,0,1]=4 1768 B8R0.3 CCCC(C)C(C)O[13CH3] 7a_100000708338_200025704644 [0,1,0,0,0,0|2,0,1]=4 1769 B8R0.3 CCCC(C)N(C)CC 2230a_100000225621_100000766640 [0,1,0,0,0,0|2,0,0]=3 1770 B8R0.3 CCCC(C)N(C)CC 269982a_100000225621_100000766640 [0,1,0,0,0,0|2,0,0]=3 1771 B8R0.3 CCCN(C)C(=O)CC 11a_100000747261_100000210414 [0,1,0,0,0,0|1,0,0]=2 1772 B8R0.3 CCCN(C)C(=O)CC 1626a_100000747261_100000210414 [0,1,0,0,0,0|1,0,0]=2 1773 B8R0.3 CCCN(C)C(=O)CC 240690a_100000747261_100000210414 [0,1,0,0,0,0|1,0,0]=2 1774 B8R0.3 CCCN(C)C(=O)CC 527a_100000747261_100000210414 [0,1,0,0,0,0|1,0,0]=2 1775 B8R0.3 CCCN(C)C(=O)CO 240690a_100000747261_100000210174 [0,1,0,0,0,0|2,0,0]=3 1776 B8R0.3 CCCN(C)C(=O)CO 527a_100000747261_100000210174 [0,1,0,0,0,0|2,0,0]=3 1777 B8R0.3 CCCN(C)C(=O)NC 2708a_100102657272_100000747261 [0,1,0,0,0,0|2,0,0]=3 1778 B8R0.3 CCCN(C)C(=O)NC 273464a_100102657272_100000747261 [0,1,0,0,0,0|2,0,0]=3 1779 B8R0.3 CCCN(C)C(C)CC 2230a_100000741768_100000210303 [0,1,0,0,0,0|2,0,1]=4 1780 B8R0.3 CCCN(C)C(C)CC 2230a_100000747261_100000758301 [0,1,0,0,0,0|2,0,1]=4 1781 B8R0.3 CCCN(C)C(C)CC 2230a_200011216551_200000210301 [0,1,0,0,0,0|2,0,1]=4 1782 B8R0.3 CCCN(C)C(C)CC 269982a_100000741768_100000210303 [0,1,0,0,0,0|2,0,1]=4 1783 B8R0.3 CCCN(C)C(C)CC 269982a_100000747261_100000758301 [0,1,0,0,0,0|2,0,1]=4 1784 B8R0.3 CCCN(C)C(C)CC 269982a_200011216551_200000210301 [0,1,0,0,0,0|2,0,1]=4 1785 B8R0.3 CCCN([13CH3])C(C)CC 2230a_200011216551_200025704644 [0,1,0,0,0,0|2,0,1]=4 1786 B8R0.3 CCCN([13CH3])C(C)CC 269982a_200011216551_200025704644 [0,1,0,0,0,0|2,0,1]=4 1787 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [0,1,0,0,0,0|0,0,0]=1 1788 B8R0.3 CCC[C@H](O)C(=O)CF 1458a_100009822183_100015361967 [0,1,0,0,0,0|1,0,0]=2 1789 B8R0.3 CCC[C@H](O)C(=O)NC 240690a_100102657272_100009822183 [0,1,0,0,0,0|1,0,0]=2 1790 B8R0.3 CCN(C)C(C)CCO 2230a_100000225621_100009893172 [0,1,0,0,0,0|3,0,0]=4 1791 B8R0.3 CCN(C)C(C)CCO 2230a_100000731037_100000210202 [0,1,0,0,0,0|3,0,0]=4 1792 B8R0.3 CCN(C)C(C)CCO 2230a_100011935059_200000210301 [0,1,0,0,0,0|3,0,0]=4 1793 B8R0.3 CCN(C)C(C)CCO 269982a_100000225621_100009893172 [0,1,0,0,0,0|3,0,0]=4 1794 B8R0.3 CCN(C)C(C)CCO 269982a_100000731037_100000204670 [0,1,0,0,0,0|3,0,0]=4 1795 B8R0.3 CCN(C)C(C)CCO 269982a_100011935059_200000210301 [0,1,0,0,0,0|3,0,0]=4 1796 B8R0.3 CCN(C)C(C)COC 2230a_100000225621_100000765312 [0,1,0,0,0,0|3,0,0]=4 1797 B8R0.3 CCN(C)C(C)COC 269982a_100000225621_100000765312 [0,1,0,0,0,0|3,0,0]=4 1798 B8R0.3 CCN(C)C(C)COC 7a_100000732741_200000210301 [0,1,0,0,0,0|3,0,0]=4 1799 B8R0.3 CCN(C)C(C)CO[13CH3] 7a_100000732741_200025704644 [0,1,0,0,0,0|3,0,0]=4 1800 B8R0.3 CCN([13CH3])C(C)CCO 2230a_100011935059_200025704644 [0,1,0,0,0,0|3,0,0]=4 1801 B8R0.3 CCN([13CH3])C(C)CCO 269982a_100011935059_200025704644 [0,1,0,0,0,0|3,0,0]=4 1802 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [0,1,0,0,0,0|1,0,1]=3 1803 B8R0.3 CCNC(=O)C(=O)CF 1458a_200011297158_100015361967 [0,1,0,0,0,0|2,0,1]=4 1804 B8R0.3 CCNC(=O)C(=O)NC 1626a_100102657272_200011297158 [0,1,0,0,0,0|2,0,1]=4 1805 B8R0.3 CCNC(=O)C(=O)NC 240690a_100015525214_100011218921 [0,1,0,0,0,0|2,0,1]=4 1806 B8R0.3 CCNC(=O)C(=O)NC 240690a_100102657272_200011297158 [0,1,0,0,0,0|2,0,1]=4 1807 B8R0.3 CCNC(=O)C(=O)NC 527a_100015525214_100011218921 [0,1,0,0,0,0|2,0,1]=4 1808 B8R0.3 CCNC(=O)C(=O)NC 527a_100102657272_200011297158 [0,1,0,0,0,0|2,0,1]=4 1809 B8R0.3 CCNC(=O)C(=O)OC 11a_100015525214_100000024059 [0,1,0,0,0,0|2,0,1]=4 1810 B8R0.3 CCNC(=O)C(=O)OC 240690a_100015525214_100000024059 [0,1,0,0,0,0|2,0,1]=4 1811 B8R0.3 CCNC(=O)C(=O)OC 527a_100015525214_100000024059 [0,1,0,0,0,0|2,0,1]=4 1812 B8R0.3 CCNC(C)C(=O)CC 2230a_100015525214_100000742827 [0,1,0,0,0,0|1,0,0]=2 1813 B8R0.3 CCNC(C)C(=O)NC 2230a_100015525214_100000731044 [0,1,0,0,0,0|2,0,0]=3 1814 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [0,1,0,0,0,0|2,0,0]=3 1815 B8R0.3 CCNC(C)C(C)CC 269862a_100015525214_100000210599 [0,1,0,0,0,0|2,0,1]=4 1816 B8R0.3 CCNC(C)C(C)CC 270004a_100015525214_100000210599 [0,1,0,0,0,0|2,0,1]=4 1817 B8R0.3 CCNC(F)C(=O)NC 2230a_100015525214_100009813575 [0,1,0,0,0,0|2,0,0]=3 1818 B8R0.3 CCN[C@H](C)C(=O)NC 2230a_100000684985_100000210202 [0,1,0,0,0,0|2,0,0]=3 1819 B8R0.3 CCN[C@H](C)C(=O)NC 34a_100000684985_100000210202 [0,1,0,0,0,0|2,0,0]=3 1820 B8R0.3 CCOC(=O)C(=O)NC 11a_106832991635_100014798877 [0,1,0,0,0,0|2,0,1]=4 1821 B8R0.3 CCOC(=O)C(=O)NC 1626a_100102657272_100014798877 [0,1,0,0,0,0|2,0,1]=4 1822 B8R0.3 CCOC(=O)C(=O)NC 240690a_100102657272_100014798877 [0,1,0,0,0,0|2,0,1]=4 1823 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [0,1,0,0,0,0|1,0,0]=2 1824 B8R0.3 CCOC(C)C(=O)CF 1458a_100000739345_100015361967 [0,1,0,0,0,0|2,0,0]=3 1825 B8R0.3 CCOC(C)C(=O)NC 11a_106832991635_100000739345 [0,1,0,0,0,0|2,0,0]=3 1826 B8R0.3 CCOC(C)C(=O)NC 1626a_100102657272_100000739345 [0,1,0,0,0,0|2,0,0]=3 1827 B8R0.3 CCOC(C)C(=O)NC 240690a_100102657272_100000739345 [0,1,0,0,0,0|2,0,0]=3 1828 B8R0.3 CCOC(C)C(=O)NC 34a_100121572206_100000731044 [0,1,0,0,0,0|2,0,0]=3 1829 B8R0.3 CCOC(C)C(=O)NC 527a_100102657272_100000739345 [0,1,0,0,0,0|2,0,0]=3 1830 B8R0.3 CCOC(C)C(=O)NN 34a_100000725659_100000210202 [0,1,0,0,0,0|3,0,0]=4 1831 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [0,1,0,0,0,0|2,0,0]=3 1832 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [0,1,0,0,0,0|2,0,0]=3 1833 B8R0.3 CCOC(C)C(C)CC 7a_100011215189_100000210202 [0,1,0,0,0,0|2,0,1]=4 1834 B8R0.3 CCOC(F)C(=O)NC 34a_100121572206_100009813575 [0,1,0,0,0,0|2,0,0]=3 1835 B8R0.3 CCSC(C)C(=O)CC 1458a_100000230601_100000210202 [0,1,0,0,0,0|1,0,0]=2 1836 B8R0.3 CCSC(C)C(=O)CC 62a_100000210202_100000742827 [0,1,0,0,0,0|1,0,0]=2 1837 B8R0.3 CCSC(C)C(=O)CC 62a_100000742827_100000210202 [0,1,0,0,0,0|1,0,0]=2 1838 B8R0.3 CCSC(C)C(=O)CF 1458a_100000230601_100015361967 [0,1,0,0,0,0|2,0,0]=3 1839 B8R0.3 CCSC(C)C(=O)NC 11a_106832991635_100000230601 [0,1,0,0,0,0|2,0,0]=3 1840 B8R0.3 CCSC(C)C(=O)NC 1626a_100102657272_100000230601 [0,1,0,0,0,0|2,0,0]=3 1841 B8R0.3 CCSC(C)C(=O)NC 240690a_100102657272_100000230601 [0,1,0,0,0,0|2,0,0]=3 1842 B8R0.3 CCSC(C)C(=O)NC 527a_100102657272_100000230601 [0,1,0,0,0,0|2,0,0]=3 1843 B8R0.3 CCSC(C)C(=O)NC 62a_100000209862_100000210202 [0,1,0,0,0,0|2,0,0]=3 1844 B8R0.3 CCSC(C)C(=O)NC 62a_100000210202_100000731044 [0,1,0,0,0,0|2,0,0]=3 1845 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [0,1,0,0,0,0|2,0,0]=3 1846 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [0,1,0,0,0,0|2,0,0]=3 1847 B8R0.3 CCSC(F)C(=O)NC 62a_100000210202_100009813575 [0,1,0,0,0,0|2,0,0]=3 1848 B8R0.3 CCSC(F)C(=O)NC 62a_100009813575_100000210202 [0,1,0,0,0,0|2,0,0]=3 1849 B8R0.3 CN(CCO)C(=O)CO 240690a_100000210263_100000210174 [0,1,0,0,0,0|3,0,0]=4 1850 B8R0.3 CN(CCO)C(=O)CO 527a_100000210263_100000210174 [0,1,0,0,0,0|3,0,0]=4 1851 B8R0.3 CNC(=O)C(=O)CCF 1458a_100011218921_100011217306 [0,1,0,0,0,0|2,0,1]=4 1852 B8R0.3 CNC(=O)C(=O)CCO 1458a_100011218921_100000211926 [0,1,0,0,0,0|2,0,1]=4 1853 B8R0.3 CNC(=O)C(C)CN[13CH3] 2230a_100015187722_200025704644 [0,1,0,0,0,0|2,0,0]=3 1854 B8R0.3 CNC(=O)C(C)CN[13CH3] 34a_100015187722_200025704644 [0,1,0,0,0,0|2,0,0]=3 1855 B8R0.3 CNC(=O)C(C)COC 11a_106832991635_100000751857 [0,1,0,0,0,0|2,0,0]=3 1856 B8R0.3 CNC(=O)C(C)COC 1626a_100102657272_100000751857 [0,1,0,0,0,0|2,0,0]=3 1857 B8R0.3 CNC(=O)C(C)COC 240690a_100102657272_100000751857 [0,1,0,0,0,0|2,0,0]=3 1858 B8R0.3 CNC(=O)C(C)COC 527a_100102657272_100000751857 [0,1,0,0,0,0|2,0,0]=3 1859 B8R0.3 CNC(=O)C(C)CSC 11a_106832991635_100000753918 [0,1,0,0,0,0|2,0,0]=3 1860 B8R0.3 CNC(=O)C(C)CSC 1626a_100102657272_100000753918 [0,1,0,0,0,0|2,0,0]=3 1861 B8R0.3 CNC(=O)C(C)CSC 240690a_100102657272_100000753918 [0,1,0,0,0,0|2,0,0]=3 1862 B8R0.3 CNC(=O)C(C)CSC 527a_100102657272_100000753918 [0,1,0,0,0,0|2,0,0]=3 1863 B8R0.3 CNC(=O)C(C)SCF 62a_100000209862_100015361967 [0,1,0,0,0,0|3,0,0]=4 1864 B8R0.3 CNC(=O)C(C)SCF 62a_100015361967_100000731044 [0,1,0,0,0,0|3,0,0]=4 1865 B8R0.3 CNC(=O)C(F)SCF 62a_100009813575_100015361967 [0,1,0,0,0,0|3,0,0]=4 1866 B8R0.3 CNC(=O)C(F)SCF 62a_100015361967_100009813575 [0,1,0,0,0,0|3,0,0]=4 1867 B8R0.3 CNC(=O)N(C)CCO 2708a_100102657272_100000210263 [0,1,0,0,0,0|3,0,0]=4 1868 B8R0.3 CNC(=O)N(C)CCO 273464a_100102657272_100000210263 [0,1,0,0,0,0|3,0,0]=4 1869 B8R0.3 CNC(=O)[C@@H](C)NCF 34a_100000684985_100015361967 [0,1,0,0,0,0|3,0,0]=4 1870 B8R0.3 CNCC(=O)C(=O)OC 34a_100102657272_100011610305 [0,1,0,0,0,0|2,0,1]=4 1871 B8R0.3 CNCC(C)C(=O)NC 2230a_100015187722_200000210301 [0,1,0,0,0,0|2,0,0]=3 1872 B8R0.3 CNCC(C)C(=O)NC 34a_100015187722_200000210301 [0,1,0,0,0,0|2,0,0]=3 1873 B8R0.3 CNCC(C)C(=O)OC 34a_100102657272_100000698445 [0,1,0,0,0,0|2,0,0]=3 1874 B8R0.3 COC(=O)C(=O)CSC 62a_100011610305_200000210301 [0,1,0,0,0,0|2,0,1]=4 1875 B8R0.3 COC(=O)C(=O)CSC 62a_200000210301_100011610305 [0,1,0,0,0,0|2,0,1]=4 1876 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_100011610305_200025704644 [0,1,0,0,0,0|2,0,1]=4 1877 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_200025704644_100011610305 [0,1,0,0,0,0|2,0,1]=4 1878 B8R0.3 COC(=O)C(C)CO[13CH3] 34a_100000749362_200025704644 [0,1,0,0,0,0|2,0,0]=3 1879 B8R0.3 COC(=O)C(C)CO[13CH3] 7a_100000749362_200025704644 [0,1,0,0,0,0|2,0,0]=3 1880 B8R0.3 COC(=O)C(C)CSC 62a_100000698445_200000210301 [0,1,0,0,0,0|2,0,0]=3 1881 B8R0.3 COC(=O)C(C)CSC 62a_200000210301_100000698445 [0,1,0,0,0,0|2,0,0]=3 1882 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_100000698445_200025704644 [0,1,0,0,0,0|2,0,0]=3 1883 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_200025704644_100000698445 [0,1,0,0,0,0|2,0,0]=3 1884 B8R0.3 COC(=O)C(C)OCF 34a_100011215400_100015361967 [0,1,0,0,0,0|3,0,0]=4 1885 B8R0.3 COC(=O)C(C)SCF 62a_100000211248_100015361967 [0,1,0,0,0,0|3,0,0]=4 1886 B8R0.3 COC(=O)C(C)SCF 62a_100015361967_100000211248 [0,1,0,0,0,0|3,0,0]=4 1887 B8R0.3 COC(=O)C(F)CO[13CH3] 34a_200009849844_200025704644 [0,1,0,0,0,0|2,0,0]=3 1888 B8R0.3 COC(=O)[C@H](N)CO[13CH3] 34a_100000003586_200025704644 [0,1,0,0,0,0|2,0,0]=3 1889 B8R0.3 COCC(=O)C(=O)OC 34a_100138415774_100011610305 [0,1,0,0,0,0|2,0,1]=4 1890 B8R0.3 COCC(C)C(=O)CF 1458a_100000751857_100015361967 [0,1,0,0,0,0|2,0,0]=3 1891 B8R0.3 COCC(C)C(=O)CO 1458a_100000210174_100000765312 [0,1,0,0,0,0|2,0,0]=3 1892 B8R0.3 COCC(C)C(=O)OC 34a_100000749362_200000210301 [0,1,0,0,0,0|2,0,0]=3 1893 B8R0.3 COCC(C)C(=O)OC 34a_100138415774_100000698445 [0,1,0,0,0,0|2,0,0]=3 1894 B8R0.3 COCC(C)C(=O)OC 7a_100000749362_200000210301 [0,1,0,0,0,0|2,0,0]=3 1895 B8R0.3 COCC(F)C(=O)OC 34a_200009849844_200000210301 [0,1,0,0,0,0|2,0,0]=3 1896 B8R0.3 COCC(N)C(=O)NN 34a_100016989258_200000210301 [0,1,0,0,0,0|3,0,0]=4 1897 B8R0.3 COC[C@@H](N)C(=O)OC 34a_100000003586_200000210301 [0,1,0,0,0,0|2,0,0]=3 1898 B8R0.3 CSCC(C)C(=O)CF 1458a_100000753918_100015361967 [0,1,0,0,0,0|2,0,0]=3 1899 B8R0.3 [13CH3]OCC(N)C(=O)NN 34a_100016989258_200025704644 [0,1,0,0,0,0|3,0,0]=4 1900 B8R0.6 C#CC(=O)C/C=C\CC 1458a_100000211873_100103147603 [0,1,0,0,0,0|0,0,3]=4 1901 B8R0.6 C#CC(=O)CC#CCC 1458a_100000211873_100009813939 [0,1,0,0,0,0|0,0,3]=4 1902 B8R0.6 C#CC(=O)CCCC#N 1458a_100000211873_100000211468 [0,1,0,0,0,0|0,0,3]=4 1903 B8R0.6 C#CC(=O)CCCC=C 1458a_100000211873_100000757094 [0,1,0,0,0,0|0,0,3]=4 1904 B8R0.6 C#CC(=O)CCCCC 1458a_100000211873_100000210326 [0,1,0,0,0,0|0,0,2]=3 1905 B8R0.6 C#CC(=O)CCCCF 1458a_100000211873_100000729493 [0,1,0,0,0,0|0,0,2]=3 1906 B8R0.6 C#CC(=O)CCCCO 1458a_100000211873_100000210776 [0,1,0,0,0,0|0,0,2]=3 1907 B8R0.6 C#CC(=O)CCCOC 1458a_100000211873_100000740836 [0,1,0,0,0,0|0,0,2]=3 1908 B8R0.6 C#CC(=O)CCOCC 1458a_100000211873_100011215890 [0,1,0,0,0,0|0,0,2]=3 1909 B8R0.6 C#CC(=O)CCSCC 1458a_100000211873_100000757381 [0,1,0,0,0,0|0,0,2]=3 1910 B8R0.6 C#CCCCC(=O)C#C 1458a_100000211873_100000731252 [0,1,0,0,0,0|0,0,3]=4 1911 B8R0.6 C#CCCCC(=O)C=C 1458a_100000185746_100000731252 [0,1,0,0,0,0|0,0,3]=4 1912 B8R0.6 C#CCCCC(=O)CC 1458a_100000210414_100000731252 [0,1,0,0,0,0|0,0,1]=2 1913 B8R0.6 C#CCCCC(=O)CC 1458a_100000690238_100000210202 [0,1,0,0,0,0|0,0,1]=2 1914 B8R0.6 C#CCCCC(=O)CF 1458a_100000690238_100015361967 [0,1,0,0,0,0|1,0,1]=3 1915 B8R0.6 C#CCCCC(=O)CO 1458a_100000210174_100000731252 [0,1,0,0,0,0|1,0,1]=3 1916 B8R0.6 C#CCCCC(=O)NC 11a_106832991635_100000690238 [0,1,0,0,0,0|1,0,1]=3 1917 B8R0.6 C#CCCCC(=O)NC 1626a_100102657272_100000690238 [0,1,0,0,0,0|1,0,1]=3 1918 B8R0.6 C#CCCCC(=O)NC 240690a_100102657272_100000690238 [0,1,0,0,0,0|1,0,1]=3 1919 B8R0.6 C#CCCCC(=O)NC 527a_100102657272_100000690238 [0,1,0,0,0,0|1,0,1]=3 1920 B8R0.6 C#CCCCN(C)CC 2230a_100000225621_100000731252 [0,1,0,0,0,0|2,0,1]=4 1921 B8R0.6 C#CCCCN(C)CC 269982a_100000225621_100011215417 [0,1,0,0,0,0|2,0,1]=4 1922 B8R0.6 C#CCCNC(=O)CC 11a_100000755551_100000210414 [0,1,0,0,0,0|0,0,2]=3 1923 B8R0.6 C#CCCNC(=O)CC 1626a_100000755551_100000210414 [0,1,0,0,0,0|0,0,2]=3 1924 B8R0.6 C#CCCNC(=O)CC 240690a_100000755551_100000210414 [0,1,0,0,0,0|0,0,2]=3 1925 B8R0.6 C#CCCNC(=O)CC 527a_100000755551_100000210414 [0,1,0,0,0,0|0,0,2]=3 1926 B8R0.6 C#CCCNC(=O)CO 240690a_100000755551_100000210174 [0,1,0,0,0,0|1,0,2]=4 1927 B8R0.6 C#CCCNC(=O)CO 527a_100000755551_100000210174 [0,1,0,0,0,0|1,0,2]=4 1928 B8R0.6 C#CCCNC(=O)NC 2708a_100000755551_106832991635 [0,1,0,0,0,0|1,0,2]=4 1929 B8R0.6 C#CCCNC(=O)NC 2708a_100102657272_100000755551 [0,1,0,0,0,0|1,0,2]=4 1930 B8R0.6 C#CCCNC(=O)NC 273464a_100000755551_100102657272 [0,1,0,0,0,0|1,0,2]=4 1931 B8R0.6 C#CCCNC(=O)NC 273464a_100102657272_100000755551 [0,1,0,0,0,0|1,0,2]=4 1932 B8R0.6 C#CCCNC(=O)NC 512a_100000755551_100102657272 [0,1,0,0,0,0|1,0,2]=4 1933 B8R0.6 C#CCCNC(=O)NC 512a_106832991638_100000755551 [0,1,0,0,0,0|1,0,2]=4 1934 B8R0.6 C#CCNCC(=O)NC 2230a_100000693194_100000038162 [0,1,0,0,0,0|1,0,2]=4 1935 B8R0.6 C#CCNCC(=O)NC 34a_100000212058_100000183359 [0,1,0,0,0,0|1,0,2]=4 1936 B8R0.6 C#CCNCC(=O)OC 34a_100000212058_100000747449 [0,1,0,0,0,0|1,0,2]=4 1937 B8R0.6 C#CCOCC(=O)CC 1458a_100011251226_100000210202 [0,1,0,0,0,0|0,0,2]=3 1938 B8R0.6 C#CCOCC(=O)CC 34a_100000725409_100000184674 [0,1,0,0,0,0|0,0,2]=3 1939 B8R0.6 C#CCOCC(=O)CF 1458a_100011251226_100015361967 [0,1,0,0,0,0|1,0,2]=4 1940 B8R0.6 C#CCOCC(=O)NC 11a_106832991635_100011251226 [0,1,0,0,0,0|1,0,2]=4 1941 B8R0.6 C#CCOCC(=O)NC 1626a_100102657272_100011251226 [0,1,0,0,0,0|1,0,2]=4 1942 B8R0.6 C#CCOCC(=O)NC 34a_100000210247_100000183359 [0,1,0,0,0,0|1,0,2]=4 1943 B8R0.6 C#CCOCC(=O)NC 34a_100000750040_100000184674 [0,1,0,0,0,0|1,0,2]=4 1944 B8R0.6 C#CCOCC(=O)NC 527a_100102657272_100011251226 [0,1,0,0,0,0|1,0,2]=4 1945 B8R0.6 C#CCOCC(=O)OC 34a_100000210247_100000747449 [0,1,0,0,0,0|1,0,2]=4 1946 B8R0.6 C#CCSCC(=O)CC 62a_100000038162_100000747405 [0,1,0,0,0,0|0,0,2]=3 1947 B8R0.6 C#CCSCC(=O)NC 62a_100000038162_100000183359 [0,1,0,0,0,0|1,0,2]=4 1948 B8R0.6 C#CCSCC(=O)OC 62a_100000038162_100000747449 [0,1,0,0,0,0|1,0,2]=4 1949 B8R0.6 C/C=C/C=CC(=O)CC 1458a_100000185730_100000210202 [0,1,0,0,0,0|0,0,3]=4 1950 B8R0.6 C=C(C#N)COCCC 34a_100000210258_100000694840 [0,1,0,0,0,0|2,0,1]=4 1951 B8R0.6 C=C(C#N)CSCCC 62a_100000210303_100000694840 [0,1,0,0,0,0|2,0,1]=4 1952 B8R0.6 C=CC(=O)C/C=C\CC 1458a_100000185746_100103147603 [0,1,0,0,0,0|0,0,3]=4 1953 B8R0.6 C=CC(=O)CC#CCC 1458a_100000185746_100009813939 [0,1,0,0,0,0|0,0,3]=4 1954 B8R0.6 C=CC(=O)CCCC#N 1458a_100000185746_100000211468 [0,1,0,0,0,0|0,0,3]=4 1955 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [0,1,0,0,0,0|0,0,2]=3 1956 B8R0.6 C=CC(=O)CCCCF 1458a_100000185746_100000729493 [0,1,0,0,0,0|0,0,2]=3 1957 B8R0.6 C=CC(=O)CCCCO 1458a_100000185746_100000210776 [0,1,0,0,0,0|0,0,2]=3 1958 B8R0.6 C=CC(=O)CCCOC 1458a_100000185746_100000740836 [0,1,0,0,0,0|0,0,2]=3 1959 B8R0.6 C=CC(=O)CCOCC 1458a_100000185746_100011215890 [0,1,0,0,0,0|0,0,2]=3 1960 B8R0.6 C=CC(=O)CCSCC 1458a_100000185746_100000757381 [0,1,0,0,0,0|0,0,2]=3 1961 B8R0.6 C=CC(=O)NCCCC 1626a_100000102301_100000185746 [0,1,0,0,0,0|0,0,2]=3 1962 B8R0.6 C=CC(=O)NCCCC 240690a_100000102301_200121576911 [0,1,0,0,0,0|0,0,2]=3 1963 B8R0.6 C=CC(=O)NCCCF 1626a_100015189416_100000185746 [0,1,0,0,0,0|1,0,2]=4 1964 B8R0.6 C=CC(=O)NCCCF 240690a_100015189416_200121576911 [0,1,0,0,0,0|1,0,2]=4 1965 B8R0.6 C=CC(=O)NCCCO 240690a_100000182051_200121576911 [0,1,0,0,0,0|1,0,2]=4 1966 B8R0.6 C=CC(=O)NCCNC 2230a_114873766552_200000210301 [0,1,0,0,0,0|1,0,2]=4 1967 B8R0.6 C=CC(=O)NCCN[13CH3] 2230a_114873766552_200025704644 [0,1,0,0,0,0|1,0,2]=4 1968 B8R0.6 C=CC(=O)NCCOC 1626a_100000209980_100000185746 [0,1,0,0,0,0|1,0,2]=4 1969 B8R0.6 C=CC(=O)NCCOC 240690a_100000209980_200121576911 [0,1,0,0,0,0|1,0,2]=4 1970 B8R0.6 C=CC(=O)NCCOC 34a_100011304386_200000210301 [0,1,0,0,0,0|1,0,2]=4 1971 B8R0.6 C=CC(=O)NCCO[13CH3] 34a_100011304386_200025704644 [0,1,0,0,0,0|1,0,2]=4 1972 B8R0.6 C=CC(=O)NCCSC 1626a_100020590264_100000185746 [0,1,0,0,0,0|1,0,2]=4 1973 B8R0.6 C=CC(=O)NCCSC 240690a_100020590264_200121576911 [0,1,0,0,0,0|1,0,2]=4 1974 B8R0.6 C=CC(=O)NNCCC 22a_100000740057_100000185746 [0,1,0,0,0,0|1,0,2]=4 1975 B8R0.6 C=CC(=O)OCCNC 2230a_106832991635_100009813456 [0,1,0,0,0,0|1,0,2]=4 1976 B8R0.6 C=CC(=O)OCCNC 34a_100102657272_100009813456 [0,1,0,0,0,0|1,0,2]=4 1977 B8R0.6 C=CC(=O)OCCNC 7a_106832991635_100009813456 [0,1,0,0,0,0|1,0,2]=4 1978 B8R0.6 C=CC(=O)OCCOC 34a_100138415774_100009813456 [0,1,0,0,0,0|1,0,2]=4 1979 B8R0.6 C=CC(=O)OCCSC 62a_100009813456_200000210301 [0,1,0,0,0,0|1,0,2]=4 1980 B8R0.6 C=CC(=O)OCCSC 62a_200000210301_100009813456 [0,1,0,0,0,0|1,0,2]=4 1981 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_100009813456_200025704644 [0,1,0,0,0,0|1,0,2]=4 1982 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_200025704644_100009813456 [0,1,0,0,0,0|1,0,2]=4 1983 B8R0.6 C=CCCCC(=O)C=C 1458a_100000185746_100000757094 [0,1,0,0,0,0|0,0,3]=4 1984 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [0,1,0,0,0,0|0,0,1]=2 1985 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [0,1,0,0,0,0|0,0,1]=2 1986 B8R0.6 C=CCCCC(=O)CF 1458a_100000766728_100015361967 [0,1,0,0,0,0|1,0,1]=3 1987 B8R0.6 C=CCCCC(=O)CO 1458a_100000210174_100000757094 [0,1,0,0,0,0|1,0,1]=3 1988 B8R0.6 C=CCCCC(=O)NC 11a_106832991635_100000766728 [0,1,0,0,0,0|1,0,1]=3 1989 B8R0.6 C=CCCCC(=O)NC 1626a_100102657272_100000766728 [0,1,0,0,0,0|1,0,1]=3 1990 B8R0.6 C=CCCCC(=O)NC 240690a_100102657272_100000766728 [0,1,0,0,0,0|1,0,1]=3 1991 B8R0.6 C=CCCCC(=O)NC 527a_100102657272_100000766728 [0,1,0,0,0,0|1,0,1]=3 1992 B8R0.6 C=CCCCN(C)CC 2230a_100000225621_100011713584 [0,1,0,0,0,0|2,0,1]=4 1993 B8R0.6 C=CCCCN(C)CC 269982a_100000225621_100000757094 [0,1,0,0,0,0|2,0,1]=4 1994 B8R0.6 C=CCCNC(=O)CC 11a_100015191253_100000210414 [0,1,0,0,0,0|0,0,2]=3 1995 B8R0.6 C=CCCNC(=O)CC 1626a_100015191253_100000210414 [0,1,0,0,0,0|0,0,2]=3 1996 B8R0.6 C=CCCNC(=O)CC 240690a_100015191253_100000210414 [0,1,0,0,0,0|0,0,2]=3 1997 B8R0.6 C=CCCNC(=O)CC 527a_100015191253_100000210414 [0,1,0,0,0,0|0,0,2]=3 1998 B8R0.6 C=CCCNC(=O)CO 240690a_100015191253_100000210174 [0,1,0,0,0,0|1,0,2]=4 1999 B8R0.6 C=CCCNC(=O)CO 527a_100015191253_100000210174 [0,1,0,0,0,0|1,0,2]=4 2000 B8R0.6 C=CCCNC(=O)NC 2708a_100015191253_106832991635 [0,1,0,0,0,0|1,0,2]=4 2001 B8R0.6 C=CCCNC(=O)NC 2708a_100102657272_100015191253 [0,1,0,0,0,0|1,0,2]=4 2002 B8R0.6 C=CCCNC(=O)NC 273464a_100015191253_100102657272 [0,1,0,0,0,0|1,0,2]=4 2003 B8R0.6 C=CCCNC(=O)NC 273464a_100102657272_100015191253 [0,1,0,0,0,0|1,0,2]=4 2004 B8R0.6 C=CCCNC(=O)NC 512a_100015191253_100102657272 [0,1,0,0,0,0|1,0,2]=4 2005 B8R0.6 C=CCCNC(=O)NC 512a_106832991638_100015191253 [0,1,0,0,0,0|1,0,2]=4 2006 B8R0.6 C=CCNCC(=O)NC 2230a_100000693194_100000210623 [0,1,0,0,0,0|1,0,2]=4 2007 B8R0.6 C=CCNCC(=O)NC 2230a_100020586998_100000183359 [0,1,0,0,0,0|1,0,2]=4 2008 B8R0.6 C=CCNCC(=O)OC 2230a_100020586998_100000747449 [0,1,0,0,0,0|1,0,2]=4 2009 B8R0.6 C=CCNNC(=O)CC 22a_100020588587_100000210414 [0,1,0,0,0,0|1,0,2]=4 2010 B8R0.6 C=CCOCC(=O)CC 34a_100000725409_100015514636 [0,1,0,0,0,0|0,0,2]=3 2011 B8R0.6 C=CCOCC(=O)NC 34a_100000750040_100015514636 [0,1,0,0,0,0|1,0,2]=4 2012 B8R0.6 C=CCOCC(=O)NC 34a_200000210373_100000183359 [0,1,0,0,0,0|1,0,2]=4 2013 B8R0.6 C=CCOCC(=O)OC 34a_200000210373_100000747449 [0,1,0,0,0,0|1,0,2]=4 2014 B8R0.6 C=CCSCC(=O)CC 1458a_100000230395_100000210202 [0,1,0,0,0,0|0,0,2]=3 2015 B8R0.6 C=CCSCC(=O)CC 62a_100000210623_100000747405 [0,1,0,0,0,0|0,0,2]=3 2016 B8R0.6 C=CCSCC(=O)CC 62a_100000747405_100000210623 [0,1,0,0,0,0|0,0,2]=3 2017 B8R0.6 C=CCSCC(=O)CF 1458a_100000230395_100015361967 [0,1,0,0,0,0|1,0,2]=4 2018 B8R0.6 C=CCSCC(=O)NC 11a_106832991635_100000230395 [0,1,0,0,0,0|1,0,2]=4 2019 B8R0.6 C=CCSCC(=O)NC 1626a_100102657272_100000230395 [0,1,0,0,0,0|1,0,2]=4 2020 B8R0.6 C=CCSCC(=O)NC 240690a_100102657272_100000230395 [0,1,0,0,0,0|1,0,2]=4 2021 B8R0.6 C=CCSCC(=O)NC 527a_100102657272_100000230395 [0,1,0,0,0,0|1,0,2]=4 2022 B8R0.6 C=CCSCC(=O)NC 62a_100000183359_100000210623 [0,1,0,0,0,0|1,0,2]=4 2023 B8R0.6 C=CCSCC(=O)NC 62a_100000210623_100000183359 [0,1,0,0,0,0|1,0,2]=4 2024 B8R0.6 C=CCSCC(=O)OC 62a_100000210623_100000747449 [0,1,0,0,0,0|1,0,2]=4 2025 B8R0.6 C=CCSCC(=O)OC 62a_100000747449_100000210623 [0,1,0,0,0,0|1,0,2]=4 2026 B8R0.6 C=COCCC(=O)CC 1458a_100000210414_100000039644 [0,1,0,0,0,0|0,0,2]=3 2027 B8R0.6 C=COCCC(=O)CO 1458a_100000210174_100000039644 [0,1,0,0,0,0|1,0,2]=4 2028 B8R0.6 CC#CCNC(=O)CC 11a_100000685387_100000210414 [0,1,0,0,0,0|0,0,2]=3 2029 B8R0.6 CC#CCNC(=O)CC 1626a_100000685387_100000210414 [0,1,0,0,0,0|0,0,2]=3 2030 B8R0.6 CC#CCNC(=O)CC 527a_100000685387_100000210414 [0,1,0,0,0,0|0,0,2]=3 2031 B8R0.6 CC#CCNC(=O)CO 527a_100000685387_100000210174 [0,1,0,0,0,0|1,0,2]=4 2032 B8R0.6 CC#CCNC(=O)NC 2708a_100102657272_100000685387 [0,1,0,0,0,0|1,0,2]=4 2033 B8R0.6 CC#CCNC(=O)NC 273464a_100000685387_100102657272 [0,1,0,0,0,0|1,0,2]=4 2034 B8R0.6 CC#CCNC(=O)NC 273464a_100102657272_100000685387 [0,1,0,0,0,0|1,0,2]=4 2035 B8R0.6 CC#CCNC(=O)NC 512a_100000685387_100102657272 [0,1,0,0,0,0|1,0,2]=4 2036 B8R0.6 CC#CCNC(=O)NC 512a_106832991638_100000685387 [0,1,0,0,0,0|1,0,2]=4 2037 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [0,1,0,0,0,0|0,0,1]=2 2038 B8R0.6 CC/C=C/CC(=O)CF 1458a_100016274230_100015361967 [0,1,0,0,0,0|1,0,1]=3 2039 B8R0.6 CC/C=C/CC(=O)NC 11a_106832991635_100016274230 [0,1,0,0,0,0|1,0,1]=3 2040 B8R0.6 CC/C=C/CC(=O)NC 1626a_100102657272_100016274230 [0,1,0,0,0,0|1,0,1]=3 2041 B8R0.6 CC/C=C/CC(=O)NC 240690a_100102657272_100016274230 [0,1,0,0,0,0|1,0,1]=3 2042 B8R0.6 CC/C=C/CC(=O)NC 527a_100102657272_100016274230 [0,1,0,0,0,0|1,0,1]=3 2043 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [0,1,0,0,0,0|0,0,1]=2 2044 B8R0.6 CC/C=C\CC(=O)CO 1458a_100000210174_100103147603 [0,1,0,0,0,0|1,0,1]=3 2045 B8R0.6 CC/C=C\CN(C)CC 2230a_100000225621_100103147603 [0,1,0,0,0,0|2,0,1]=4 2046 B8R0.6 CC/C=C\CN(C)CC 269982a_100000225621_100103147603 [0,1,0,0,0,0|2,0,1]=4 2047 B8R0.6 CCC#CCC(=O)CC 1458a_100000210414_100009813939 [0,1,0,0,0,0|0,0,1]=2 2048 B8R0.6 CCC#CCC(=O)CO 1458a_100000210174_100009813939 [0,1,0,0,0,0|1,0,1]=3 2049 B8R0.6 CCC#CCN(C)CC 2230a_100000225621_100009813939 [0,1,0,0,0,0|2,0,1]=4 2050 B8R0.6 CCC(=O)C=CCOC 1458a_100016285016_100000210202 [0,1,0,0,0,0|0,0,2]=3 2051 B8R0.6 CCC(=O)CC#CCO 1458a_100000210414_200000047223 [0,1,0,0,0,0|0,0,2]=3 2052 B8R0.6 CCC(=O)CCCC#N 1458a_100000075515_100000210202 [0,1,0,0,0,0|0,0,1]=2 2053 B8R0.6 CCC(=O)CCCC#N 1458a_100000210414_100000211468 [0,1,0,0,0,0|0,0,1]=2 2054 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [0,1,0,0,0,0|0,0,0]=1 2055 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [0,1,0,0,0,0|0,0,0]=1 2056 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [0,1,0,0,0,0|0,0,0]=1 2057 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [0,1,0,0,0,0|0,0,0]=1 2058 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [0,1,0,0,0,0|0,0,0]=1 2059 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [0,1,0,0,0,0|0,0,0]=1 2060 B8R0.6 CCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210202 [0,1,0,0,0,0|2,0,0]=3 2061 B8R0.6 CCC(=O)COCC=O 34a_100000725409_200009817547 [0,1,0,0,0,0|1,0,1]=3 2062 B8R0.6 CCC(=O)COCCF 34a_100000725409_100011217306 [0,1,0,0,0,0|1,0,0]=2 2063 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [0,1,0,0,0,0|1,0,0]=2 2064 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [0,1,0,0,0,0|1,0,0]=2 2065 B8R0.6 CCC(=O)COCSC 34a_100000725409_100011218213 [0,1,0,0,0,0|1,0,0]=2 2066 B8R0.6 CCC(=O)CSCC#N 1458a_100000150266_100000210202 [0,1,0,0,0,0|1,0,1]=3 2067 B8R0.6 CCC(=O)CSCC#N 62a_100000747405_100011215382 [0,1,0,0,0,0|1,0,1]=3 2068 B8R0.6 CCC(=O)CSCC#N 62a_100011215382_100000747405 [0,1,0,0,0,0|1,0,1]=3 2069 B8R0.6 CCC(=O)CSCC=O 62a_100000747405_200015260668 [0,1,0,0,0,0|1,0,1]=3 2070 B8R0.6 CCC(=O)CSCC=O 62a_200015260668_100000747405 [0,1,0,0,0,0|1,0,1]=3 2071 B8R0.6 CCC(=O)CSCCF 62a_100000747405_100011217306 [0,1,0,0,0,0|1,0,0]=2 2072 B8R0.6 CCC(=O)CSCCF 62a_100011217306_100000747405 [0,1,0,0,0,0|1,0,0]=2 2073 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [0,1,0,0,0,0|1,0,0]=2 2074 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [0,1,0,0,0,0|1,0,0]=2 2075 B8R0.6 CCC(=O)CSCOC 62a_100000747405_100000766300 [0,1,0,0,0,0|1,0,0]=2 2076 B8R0.6 CCC(=O)CSCOC 62a_100000766300_100000747405 [0,1,0,0,0,0|1,0,0]=2 2077 B8R0.6 CCC(=O)CSCSC 62a_100000747405_100011218213 [0,1,0,0,0,0|1,0,0]=2 2078 B8R0.6 CCC(=O)CSCSC 62a_100011218213_100000747405 [0,1,0,0,0,0|1,0,0]=2 2079 B8R0.6 CCC(=O)NCCC#N 11a_100000720768_100000210414 [0,1,0,0,0,0|1,0,1]=3 2080 B8R0.6 CCC(=O)NCCC#N 1626a_100000720768_100000210414 [0,1,0,0,0,0|1,0,1]=3 2081 B8R0.6 CCC(=O)NCCC#N 240690a_100000720768_100000210414 [0,1,0,0,0,0|1,0,1]=3 2082 B8R0.6 CCC(=O)NCCC#N 527a_100000720768_100000210414 [0,1,0,0,0,0|1,0,1]=3 2083 B8R0.6 CCC(=O)NCCCF 11a_100015189416_100000210414 [0,1,0,0,0,0|1,0,0]=2 2084 B8R0.6 CCC(=O)NCCCF 1626a_100015189416_100000210414 [0,1,0,0,0,0|1,0,0]=2 2085 B8R0.6 CCC(=O)NCCCF 240690a_100015189416_100000210414 [0,1,0,0,0,0|1,0,0]=2 2086 B8R0.6 CCC(=O)NCCCF 527a_100015189416_100000210414 [0,1,0,0,0,0|1,0,0]=2 2087 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [0,1,0,0,0,0|1,0,0]=2 2088 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [0,1,0,0,0,0|1,0,0]=2 2089 B8R0.6 CCC(=O)NCCNC 34a_100132302217_200000210301 [0,1,0,0,0,0|1,0,0]=2 2090 B8R0.6 CCC(=O)NCCN[13CH3] 34a_100132302217_200025704644 [0,1,0,0,0,0|1,0,0]=2 2091 B8R0.6 CCC(=O)NCCOC 1626a_100000209980_100000210414 [0,1,0,0,0,0|1,0,0]=2 2092 B8R0.6 CCC(=O)NCCOC 240690a_100000209980_100000210414 [0,1,0,0,0,0|1,0,0]=2 2093 B8R0.6 CCC(=O)NCCOC 34a_200000158885_200000210301 [0,1,0,0,0,0|1,0,0]=2 2094 B8R0.6 CCC(=O)NCCOC 527a_100000209980_100000210414 [0,1,0,0,0,0|1,0,0]=2 2095 B8R0.6 CCC(=O)NCCOC 7a_200000158885_200000210301 [0,1,0,0,0,0|1,0,0]=2 2096 B8R0.6 CCC(=O)NCCO[13CH3] 34a_200000158885_200025704644 [0,1,0,0,0,0|1,0,0]=2 2097 B8R0.6 CCC(=O)NCCO[13CH3] 7a_200000158885_200025704644 [0,1,0,0,0,0|1,0,0]=2 2098 B8R0.6 CCC(=O)NCCSC 11a_100020590264_100000210414 [0,1,0,0,0,0|1,0,0]=2 2099 B8R0.6 CCC(=O)NCCSC 1626a_100020590264_100000210414 [0,1,0,0,0,0|1,0,0]=2 2100 B8R0.6 CCC(=O)NCCSC 240690a_100020590264_100000210414 [0,1,0,0,0,0|1,0,0]=2 2101 B8R0.6 CCC(=O)NCCSC 527a_100020590264_100000210414 [0,1,0,0,0,0|1,0,0]=2 2102 B8R0.6 CCC(=O)NNCCO 22a_100000210001_100000210414 [0,1,0,0,0,0|2,0,0]=3 2103 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [0,1,0,0,0,0|1,0,0]=2 2104 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [0,1,0,0,0,0|1,0,0]=2 2105 B8R0.6 CCC(C)CCCOC 7a_100011216074_200000210301 [0,1,0,0,0,0|1,0,1]=3 2106 B8R0.6 CCC(C)CCCO[13CH3] 7a_100011216074_200025704644 [0,1,0,0,0,0|1,0,1]=3 2107 B8R0.6 CCC(C)CCOCF 7a_100011215188_100015361967 [0,1,0,0,0,0|2,0,1]=4 2108 B8R0.6 CCC(C)CNCCF 2230a_100020588543_100011217306 [0,1,0,0,0,0|2,0,1]=4 2109 B8R0.6 CCC(C)CNCCF 34a_100000724931_100000748023 [0,1,0,0,0,0|2,0,1]=4 2110 B8R0.6 CCC(C)CNCCO 2230a_100016997473_100000748023 [0,1,0,0,0,0|2,0,1]=4 2111 B8R0.6 CCC(C)CNCCO 2230a_100020588543_100000211926 [0,1,0,0,0,0|2,0,1]=4 2112 B8R0.6 CCC(C)CNCCO 270004a_100000210304_100000243153 [0,1,0,0,0,0|2,0,1]=4 2113 B8R0.6 CCC(C)CNCCO 34a_100016990907_100000748023 [0,1,0,0,0,0|2,0,1]=4 2114 B8R0.6 CCC(C)CNCOC 2230a_100020588543_100000766300 [0,1,0,0,0,0|2,0,1]=4 2115 B8R0.6 CCC(C)CNCSC 2230a_100020588543_100011218213 [0,1,0,0,0,0|2,0,1]=4 2116 B8R0.6 CCC(C)COCCBr 34a_100000211926_100000748023 [0,1,0,0,0,0|2,0,1]=4 2117 B8R0.6 CCC(C)COCCN 34a_100000210304_100000748023 [0,1,0,0,0,0|2,0,1]=4 2118 B8R0.6 CCC(C)CSCCF 62a_100000748023_100011217306 [0,1,0,0,0,0|2,0,1]=4 2119 B8R0.6 CCC(C)CSCCF 62a_100011217306_100000748023 [0,1,0,0,0,0|2,0,1]=4 2120 B8R0.6 CCC(C)CSCCO 62a_100000211926_100000748023 [0,1,0,0,0,0|2,0,1]=4 2121 B8R0.6 CCC(C)CSCCO 62a_100000748023_100000211926 [0,1,0,0,0,0|2,0,1]=4 2122 B8R0.6 CCC(C)CSCOC 62a_100000748023_100000766300 [0,1,0,0,0,0|2,0,1]=4 2123 B8R0.6 CCC(C)CSCOC 62a_100000766300_100000748023 [0,1,0,0,0,0|2,0,1]=4 2124 B8R0.6 CCC(C)CSCSC 62a_100000748023_100011218213 [0,1,0,0,0,0|2,0,1]=4 2125 B8R0.6 CCC(C)CSCSC 62a_100011218213_100000748023 [0,1,0,0,0,0|2,0,1]=4 2126 B8R0.6 CCC(C)NCCCF 2230a_100000209981_100011934791 [0,1,0,0,0,0|2,0,1]=4 2127 B8R0.6 CCC(C)NCCCF 2230a_100015189416_100000758301 [0,1,0,0,0,0|2,0,1]=4 2128 B8R0.6 CCC(C)NCCCF 34a_100015189416_100011215416 [0,1,0,0,0,0|2,0,1]=4 2129 B8R0.6 CCC(C)NCCCO 2230a_100000209981_100000230001 [0,1,0,0,0,0|2,0,1]=4 2130 B8R0.6 CCC(C)NCCOC 2230a_100000209980_100000758301 [0,1,0,0,0,0|2,0,1]=4 2131 B8R0.6 CCC(C)NCCOC 2230a_100000209981_100011201679 [0,1,0,0,0,0|2,0,1]=4 2132 B8R0.6 CCC(C)NCCSC 2230a_100000209981_100000751147 [0,1,0,0,0,0|2,0,1]=4 2133 B8R0.6 CCC(C)NCCSC 2230a_100020590264_100000758301 [0,1,0,0,0,0|2,0,1]=4 2134 B8R0.6 CCC(C)OCCCBr 34a_100011217188_100011215416 [0,1,0,0,0,0|2,0,1]=4 2135 B8R0.6 CCC(C)OCCCCl 34a_100000230001_100011215416 [0,1,0,0,0,0|2,0,1]=4 2136 B8R0.6 CCC(C)OCCCF 34a_100000759539_100011215416 [0,1,0,0,0,0|2,0,1]=4 2137 B8R0.6 CCC(C)OCCCF 7a_100000210228_100011934791 [0,1,0,0,0,0|2,0,1]=4 2138 B8R0.6 CCC(C)OCCCN 34a_100000182051_100011215416 [0,1,0,0,0,0|2,0,1]=4 2139 B8R0.6 CCC(C)OCCCO 7a_100000210228_100011215043 [0,1,0,0,0,0|2,0,1]=4 2140 B8R0.6 CCC(C)OCCOC 34a_100000210237_100011215416 [0,1,0,0,0,0|2,0,1]=4 2141 B8R0.6 CCC(C)OCCOC 7a_100000210228_100000233755 [0,1,0,0,0,0|2,0,1]=4 2142 B8R0.6 CCC(C)OCCSC 34a_100000230434_100011215416 [0,1,0,0,0,0|2,0,1]=4 2143 B8R0.6 CCC(C)OCCSC 7a_100000210228_100000212216 [0,1,0,0,0,0|2,0,1]=4 2144 B8R0.6 CCC(C)OCCSC 7a_100000230434_100000758301 [0,1,0,0,0,0|2,0,1]=4 2145 B8R0.6 CCC(C)SCCCF 62a_100000758301_100011934791 [0,1,0,0,0,0|2,0,1]=4 2146 B8R0.6 CCC(C)SCCCF 62a_100011934791_100000758301 [0,1,0,0,0,0|2,0,1]=4 2147 B8R0.6 CCC(C)SCCCO 62a_100000758301_100011215043 [0,1,0,0,0,0|2,0,1]=4 2148 B8R0.6 CCC(C)SCCCO 62a_100011215043_100000758301 [0,1,0,0,0,0|2,0,1]=4 2149 B8R0.6 CCC(C)SCCOC 62a_100000233755_100000758301 [0,1,0,0,0,0|2,0,1]=4 2150 B8R0.6 CCC(C)SCCOC 62a_100000758301_100000233755 [0,1,0,0,0,0|2,0,1]=4 2151 B8R0.6 CCC(C)SCCSC 62a_100000212216_100000758301 [0,1,0,0,0,0|2,0,1]=4 2152 B8R0.6 CCC(C)SCCSC 62a_100000758301_100000751147 [0,1,0,0,0,0|2,0,1]=4 2153 B8R0.6 CCC(O)CNCCF 2230a_100011218483_100011217306 [0,1,0,0,0,0|1,0,2]=4 2154 B8R0.6 CCC(O)CNCCF 34a_100000724931_100011218378 [0,1,0,0,0,0|1,0,2]=4 2155 B8R0.6 CCC(O)CNCCO 2230a_100011218483_100000211926 [0,1,0,0,0,0|1,0,2]=4 2156 B8R0.6 CCC(O)CNCCO 2230a_100016997473_100011218378 [0,1,0,0,0,0|1,0,2]=4 2157 B8R0.6 CCC(O)CNCCO 34a_100016990907_100011218378 [0,1,0,0,0,0|1,0,2]=4 2158 B8R0.6 CCC(O)CNCOC 2230a_100011218483_100000766300 [0,1,0,0,0,0|1,0,2]=4 2159 B8R0.6 CCC(O)CNCSC 2230a_100011218483_100011218213 [0,1,0,0,0,0|1,0,2]=4 2160 B8R0.6 CCC(O)COCCBr 34a_100000211926_100011218378 [0,1,0,0,0,0|1,0,2]=4 2161 B8R0.6 CCC(O)COCCN 34a_100000210304_100011218378 [0,1,0,0,0,0|1,0,2]=4 2162 B8R0.6 CCC(O)CSCCF 62a_100011217306_100011218378 [0,1,0,0,0,0|1,0,2]=4 2163 B8R0.6 CCC(O)CSCCF 62a_100011218378_100011217306 [0,1,0,0,0,0|1,0,2]=4 2164 B8R0.6 CCC(O)CSCCO 62a_100000211926_100011218378 [0,1,0,0,0,0|1,0,2]=4 2165 B8R0.6 CCC(O)CSCCO 62a_100011218378_100000211926 [0,1,0,0,0,0|1,0,2]=4 2166 B8R0.6 CCC(O)CSCOC 62a_100000766300_100011218378 [0,1,0,0,0,0|1,0,2]=4 2167 B8R0.6 CCC(O)CSCOC 62a_100011218378_100000766300 [0,1,0,0,0,0|1,0,2]=4 2168 B8R0.6 CCC(O)CSCSC 62a_100011218213_100011218378 [0,1,0,0,0,0|1,0,2]=4 2169 B8R0.6 CCC(O)CSCSC 62a_100011218378_100011218213 [0,1,0,0,0,0|1,0,2]=4 2170 B8R0.6 CCC=NNC(=O)CC 4a_100000183195_100000210100 [0,1,0,0,0,0|1,0,1]=3 2171 B8R0.6 CCCC#CC(=O)CC 1458a_200011218047_100000210202 [0,1,0,0,0,0|0,0,1]=2 2172 B8R0.6 CCCC#CC(=O)CF 1458a_200011218047_100015361967 [0,1,0,0,0,0|1,0,1]=3 2173 B8R0.6 CCCC#CC(=O)NC 240690a_100102657272_200011218047 [0,1,0,0,0,0|1,0,1]=3 2174 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [0,1,0,0,0,0|0,0,1]=2 2175 B8R0.6 CCCC=CC(=O)CF 1458a_100000212230_100015361967 [0,1,0,0,0,0|1,0,1]=3 2176 B8R0.6 CCCC=CC(=O)NC 11a_106832991635_100000212230 [0,1,0,0,0,0|1,0,1]=3 2177 B8R0.6 CCCC=CC(=O)NC 1626a_100102657272_100000212230 [0,1,0,0,0,0|1,0,1]=3 2178 B8R0.6 CCCC=CC(=O)NC 240690a_100102657272_100000212230 [0,1,0,0,0,0|1,0,1]=3 2179 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [0,1,0,0,0,0|0,0,0]=1 2180 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [0,1,0,0,0,0|0,0,0]=1 2181 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [0,1,0,0,0,0|1,0,0]=2 2182 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [0,1,0,0,0,0|1,0,0]=2 2183 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [0,1,0,0,0,0|1,0,0]=2 2184 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [0,1,0,0,0,0|1,0,0]=2 2185 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [0,1,0,0,0,0|1,0,0]=2 2186 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [0,1,0,0,0,0|1,0,0]=2 2187 B8R0.6 CCCCCC(C)NC 2230a_100000211957_200000210301 [0,1,0,0,0,0|2,0,1]=4 2188 B8R0.6 CCCCCC(C)NC 2230a_106832991635_200011218191 [0,1,0,0,0,0|2,0,1]=4 2189 B8R0.6 CCCCCC(C)NC 270004a_106832991635_100000211708 [0,1,0,0,0,0|2,0,1]=4 2190 B8R0.6 CCCCCC(C)NC 34a_100102657272_200011218191 [0,1,0,0,0,0|2,0,1]=4 2191 B8R0.6 CCCCCC(C)NC 7a_106832991635_200011218191 [0,1,0,0,0,0|2,0,1]=4 2192 B8R0.6 CCCCCC(C)N[13CH3] 2230a_100000211957_200025704644 [0,1,0,0,0,0|2,0,1]=4 2193 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [0,1,0,0,0,0|2,0,1]=4 2194 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [0,1,0,0,0,0|2,0,1]=4 2195 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [0,1,0,0,0,0|2,0,1]=4 2196 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [0,1,0,0,0,0|2,0,1]=4 2197 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [0,1,0,0,0,0|2,0,1]=4 2198 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [0,1,0,0,0,0|2,0,1]=4 2199 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [0,1,0,0,0,0|2,0,1]=4 2200 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [0,1,0,0,0,0|2,0,1]=4 2201 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [0,1,0,0,0,0|2,0,1]=4 2202 B8R0.6 CCCCCN(C)CC 2230a_100000223495_100000210202 [0,1,0,0,0,0|2,0,0]=3 2203 B8R0.6 CCCCCN(C)CC 2230a_100000225621_100000210326 [0,1,0,0,0,0|2,0,0]=3 2204 B8R0.6 CCCCCN(C)CC 269982a_100000223495_100000204670 [0,1,0,0,0,0|2,0,0]=3 2205 B8R0.6 CCCCCN(C)CC 269982a_100000225621_100000210215 [0,1,0,0,0,0|2,0,0]=3 2206 B8R0.6 CCCCCN(C)CF 269982a_100000223495_100015361967 [0,1,0,0,0,0|3,0,0]=4 2207 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [0,1,0,0,0,0|0,0,0]=1 2208 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [0,1,0,0,0,0|0,0,0]=1 2209 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [0,1,0,0,0,0|0,0,0]=1 2210 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [0,1,0,0,0,0|0,0,0]=1 2211 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [0,1,0,0,0,0|1,0,0]=2 2212 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [0,1,0,0,0,0|1,0,0]=2 2213 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [0,1,0,0,0,0|1,0,0]=2 2214 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [0,1,0,0,0,0|1,0,0]=2 2215 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [0,1,0,0,0,0|1,0,0]=2 2216 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [0,1,0,0,0,0|1,0,0]=2 2217 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [0,1,0,0,0,0|1,0,0]=2 2218 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [0,1,0,0,0,0|1,0,0]=2 2219 B8R0.6 CCCCNC(C)CC 2230a_100000102301_100000758301 [0,1,0,0,0,0|1,0,1]=3 2220 B8R0.6 CCCCNC(C)CC 2230a_100000209981_100000210211 [0,1,0,0,0,0|1,0,1]=3 2221 B8R0.6 CCCCNC(C)CC 7a_106832991798_100000758301 [0,1,0,0,0,0|1,0,1]=3 2222 B8R0.6 CCCCNC(C)CO 2230a_100000102301_100012180447 [0,1,0,0,0,0|2,0,1]=4 2223 B8R0.6 CCCCNC(C)CO 7a_106832991798_100012180447 [0,1,0,0,0,0|2,0,1]=4 2224 B8R0.6 CCCCN[C@H](C)CO 2230a_100000737577_100000210211 [0,1,0,0,0,0|2,0,1]=4 2225 B8R0.6 CCCCOC(C)CC 34a_100000210227_100011215416 [0,1,0,0,0,0|1,0,1]=3 2226 B8R0.6 CCCCOC(C)CC 7a_100000210227_100000758301 [0,1,0,0,0,0|1,0,1]=3 2227 B8R0.6 CCCCOC(C)CC 7a_100000210228_100000210211 [0,1,0,0,0,0|1,0,1]=3 2228 B8R0.6 CCCCOC(C)CF 34a_100016041109_100000210210 [0,1,0,0,0,0|2,0,1]=4 2229 B8R0.6 CCCCOC(C)CF 7a_100016041109_100000210211 [0,1,0,0,0,0|2,0,1]=4 2230 B8R0.6 CCCCOC(C)CN 34a_100000210904_100000210210 [0,1,0,0,0,0|2,0,1]=4 2231 B8R0.6 CCCCOC(C)CO 34a_100000210227_100012180447 [0,1,0,0,0,0|2,0,1]=4 2232 B8R0.6 CCCCOC(C)CO 7a_100000210227_100012180447 [0,1,0,0,0,0|2,0,1]=4 2233 B8R0.6 CCCCSC(C)CC 62a_100000210211_100000758301 [0,1,0,0,0,0|1,0,1]=3 2234 B8R0.6 CCCCSC(C)CC 62a_100000758301_100000210210 [0,1,0,0,0,0|1,0,1]=3 2235 B8R0.6 CCCCSC(C)CO 62a_100012180447_100000210210 [0,1,0,0,0,0|2,0,1]=4 2236 B8R0.6 CCCCSC(C)OC 62a_100000210211_100009879195 [0,1,0,0,0,0|2,0,1]=4 2237 B8R0.6 CCCCSC(C)OC 62a_100009879195_100000210210 [0,1,0,0,0,0|2,0,1]=4 2238 B8R0.6 CCCCS[C@H](C)CO 62a_100000210211_100016084084 [0,1,0,0,0,0|2,0,1]=4 2239 B8R0.6 CCCCS[C@H](C)CO 62a_100016084084_100000210210 [0,1,0,0,0,0|2,0,1]=4 2240 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [0,1,0,0,0,0|1,0,0]=2 2241 B8R0.6 CCCNCC(C)CC 2230a_100020588543_100000210303 [0,1,0,0,0,0|1,0,1]=3 2242 B8R0.6 CCCNCC(C)CC 270004a_100020643023_100000243153 [0,1,0,0,0,0|1,0,1]=3 2243 B8R0.6 CCCNCC(C)CO 34a_100000744482_100000210303 [0,1,0,0,0,0|2,0,1]=4 2244 B8R0.6 CCCNCC(O)CC 2230a_100011218483_100000210303 [0,1,0,0,0,0|0,0,2]=3 2245 B8R0.6 CCCNC[C@@H](C)OC 2230a_100020591295_100000210303 [0,1,0,0,0,0|2,0,1]=4 2246 B8R0.6 CCCNC[C@@H](F)CO 34a_100015665980_100000210303 [0,1,0,0,0,0|2,0,1]=4 2247 B8R0.6 CCCNC[C@H](O)CO 2230a_100020644852_100000210303 [0,1,0,0,0,0|1,0,2]=4 2248 B8R0.6 CCCNN=C(C)CF 4a_100000740057_100000039719 [0,1,0,0,0,0|3,0,0]=4 2249 B8R0.6 CCCNN=C(C)CO 4a_100000740057_100000211253 [0,1,0,0,0,0|3,0,0]=4 2250 B8R0.6 CCCNNC(=O)CC 22a_100000740057_100000210414 [0,1,0,0,0,0|1,0,0]=2 2251 B8R0.6 CCCNNC(=O)CO 22a_100000740057_100000210174 [0,1,0,0,0,0|2,0,0]=3 2252 B8R0.6 CCCNNC(=O)NC 273464a_100102657272_100000740057 [0,1,0,0,0,0|2,0,0]=3 2253 B8R0.6 CCCNNC(=O)NC 512a_100000740057_100102657272 [0,1,0,0,0,0|2,0,0]=3 2254 B8R0.6 CCCNNC(=O)NC 512a_106832991638_100000740057 [0,1,0,0,0,0|2,0,0]=3 2255 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [0,1,0,0,0,0|0,0,0]=1 2256 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [0,1,0,0,0,0|0,0,0]=1 2257 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [0,1,0,0,0,0|1,0,0]=2 2258 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [0,1,0,0,0,0|1,0,0]=2 2259 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [0,1,0,0,0,0|1,0,0]=2 2260 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [0,1,0,0,0,0|1,0,0]=2 2261 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [0,1,0,0,0,0|1,0,0]=2 2262 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [0,1,0,0,0,0|1,0,0]=2 2263 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [0,1,0,0,0,0|1,0,0]=2 2264 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [0,1,0,0,0,0|1,0,0]=2 2265 B8R0.6 CCCOCC(C)CC 34a_100000210258_100000748023 [0,1,0,0,0,0|1,0,1]=3 2266 B8R0.6 CCCOCC(C)CN 34a_100000744482_100000210303 [0,1,0,0,0,0|2,0,1]=4 2267 B8R0.6 CCCOCC(C)OC 34a_100000690652_100000210303 [0,1,0,0,0,0|2,0,1]=4 2268 B8R0.6 CCCOCC(Cl)CCl 34a_100000033668_100000210303 [0,1,0,0,0,0|2,0,1]=4 2269 B8R0.6 CCCOCC(O)CC 34a_100000210258_100011218378 [0,1,0,0,0,0|0,0,2]=3 2270 B8R0.6 CCCOCC(O)CO 34a_100000210258_100011219619 [0,1,0,0,0,0|1,0,2]=4 2271 B8R0.6 CCCOC[C@@H](C)CC 34a_100000210258_100009816398 [0,1,0,0,0,0|1,0,1]=3 2272 B8R0.6 CCCOC[C@@H](C)CC 7a_100009816381_100000210303 [0,1,0,0,0,0|1,0,1]=3 2273 B8R0.6 CCCOC[C@@H](C)CO 34a_100000210258_100000059175 [0,1,0,0,0,0|2,0,1]=4 2274 B8R0.6 CCCOC[C@@H](O)CF 34a_100000210258_100015614560 [0,1,0,0,0,0|1,0,2]=4 2275 B8R0.6 CCCOC[C@@H](O)CO 34a_100000210258_100009815848 [0,1,0,0,0,0|1,0,2]=4 2276 B8R0.6 CCCOC[C@H](F)CN 34a_100015665980_100000210303 [0,1,0,0,0,0|2,0,1]=4 2277 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [0,1,0,0,0,0|0,0,0]=1 2278 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [0,1,0,0,0,0|0,0,0]=1 2279 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [0,1,0,0,0,0|0,0,0]=1 2280 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [0,1,0,0,0,0|1,0,0]=2 2281 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [0,1,0,0,0,0|1,0,0]=2 2282 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [0,1,0,0,0,0|1,0,0]=2 2283 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [0,1,0,0,0,0|1,0,0]=2 2284 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [0,1,0,0,0,0|1,0,0]=2 2285 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [0,1,0,0,0,0|1,0,0]=2 2286 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [0,1,0,0,0,0|1,0,0]=2 2287 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [0,1,0,0,0,0|1,0,0]=2 2288 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [0,1,0,0,0,0|1,0,0]=2 2289 B8R0.6 CCCSCC(C)CC 62a_100000210303_100000748023 [0,1,0,0,0,0|1,0,1]=3 2290 B8R0.6 CCCSCC(C)CC 62a_100000748023_100000210303 [0,1,0,0,0,0|1,0,1]=3 2291 B8R0.6 CCCSCC(C)NC 270004a_106832991635_100011343953 [0,1,0,0,0,0|2,0,1]=4 2292 B8R0.6 CCCSCC(O)CC 62a_100000210303_100011218378 [0,1,0,0,0,0|0,0,2]=3 2293 B8R0.6 CCCSCC(O)CC 62a_100011218378_100000210303 [0,1,0,0,0,0|0,0,2]=3 2294 B8R0.6 CCCSCC(O)CO 62a_100000210303_100011219619 [0,1,0,0,0,0|1,0,2]=4 2295 B8R0.6 CCCSCC(O)CO 62a_100011219619_100000210303 [0,1,0,0,0,0|1,0,2]=4 2296 B8R0.6 CCCSC[C@@H](C)CC 62a_100000210303_100009816398 [0,1,0,0,0,0|1,0,1]=3 2297 B8R0.6 CCCSC[C@@H](C)CC 62a_100009816398_100000210303 [0,1,0,0,0,0|1,0,1]=3 2298 B8R0.6 CCCSC[C@@H](C)CO 62a_100000059175_100000210303 [0,1,0,0,0,0|2,0,1]=4 2299 B8R0.6 CCCSC[C@@H](C)CO 62a_100000210303_100000059175 [0,1,0,0,0,0|2,0,1]=4 2300 B8R0.6 CCCSC[C@@H](O)CF 62a_100000210303_100015614560 [0,1,0,0,0,0|1,0,2]=4 2301 B8R0.6 CCCSC[C@@H](O)CF 62a_100015614560_100000210303 [0,1,0,0,0,0|1,0,2]=4 2302 B8R0.6 CCCSC[C@@H](O)CO 62a_100000210303_100009815848 [0,1,0,0,0,0|1,0,2]=4 2303 B8R0.6 CCCSC[C@@H](O)CO 62a_100009815848_100000210303 [0,1,0,0,0,0|1,0,2]=4 2304 B8R0.6 CCN(C)CCCC#N 2230a_100000225621_100000687738 [0,1,0,0,0,0|2,0,1]=4 2305 B8R0.6 CCN(C)CCCC#N 269982a_100000225621_100000687738 [0,1,0,0,0,0|2,0,1]=4 2306 B8R0.6 CCN(C)CCCC=O 2230a_100000225621_200011292268 [0,1,0,0,0,0|2,0,1]=4 2307 B8R0.6 CCN(C)CCCC=O 269982a_100000225621_200011292268 [0,1,0,0,0,0|2,0,1]=4 2308 B8R0.6 CCN(C)CCCCF 2230a_100000225621_100000729493 [0,1,0,0,0,0|2,0,0]=3 2309 B8R0.6 CCN(C)CCCCF 269982a_100000225621_100000729493 [0,1,0,0,0,0|2,0,0]=3 2310 B8R0.6 CCN(C)CCCCO 2230a_100000225621_100000210776 [0,1,0,0,0,0|2,0,0]=3 2311 B8R0.6 CCN(C)CCCCO 2230a_100000717598_100000210202 [0,1,0,0,0,0|2,0,0]=3 2312 B8R0.6 CCN(C)CCCCO 2230a_100011217355_200000210301 [0,1,0,0,0,0|2,0,0]=3 2313 B8R0.6 CCN(C)CCCCO 269982a_100000225621_100000210776 [0,1,0,0,0,0|2,0,0]=3 2314 B8R0.6 CCN(C)CCCCO 269982a_100000717598_100000204670 [0,1,0,0,0,0|2,0,0]=3 2315 B8R0.6 CCN(C)CCCCO 269982a_100011217355_200000210301 [0,1,0,0,0,0|2,0,0]=3 2316 B8R0.6 CCN(C)CCCNC 2230a_106832991635_100015186262 [0,1,0,0,0,0|2,0,0]=3 2317 B8R0.6 CCN(C)CCCNC 7a_106832991635_100015186262 [0,1,0,0,0,0|2,0,0]=3 2318 B8R0.6 CCN(C)CCCOC 2230a_100000224831_100000210202 [0,1,0,0,0,0|2,0,0]=3 2319 B8R0.6 CCN(C)CCCOC 2230a_100000225621_100000740836 [0,1,0,0,0,0|2,0,0]=3 2320 B8R0.6 CCN(C)CCCOC 269982a_100000224831_100000204670 [0,1,0,0,0,0|2,0,0]=3 2321 B8R0.6 CCN(C)CCCOC 269982a_100000225621_100000740836 [0,1,0,0,0,0|2,0,0]=3 2322 B8R0.6 CCN(C)CCCSC 62a_200000210301_100015186262 [0,1,0,0,0,0|2,0,0]=3 2323 B8R0.6 CCN(C)CCCS[13CH3] 62a_200025704644_100015186262 [0,1,0,0,0,0|2,0,0]=3 2324 B8R0.6 CCN([13CH3])CCCCO 2230a_100011217355_200025704644 [0,1,0,0,0,0|2,0,0]=3 2325 B8R0.6 CCN([13CH3])CCCCO 269982a_100011217355_200025704644 [0,1,0,0,0,0|2,0,0]=3 2326 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [0,1,0,0,0,0|1,0,0]=2 2327 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [0,1,0,0,0,0|1,0,0]=2 2328 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [0,1,0,0,0,0|1,0,0]=2 2329 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [0,1,0,0,0,0|1,0,0]=2 2330 B8R0.6 CCNCCC(C)CC 2230a_100020591266_100000210202 [0,1,0,0,0,0|1,0,1]=3 2331 B8R0.6 CCNCCC(C)CO 2230a_106354213184_100000210202 [0,1,0,0,0,0|2,0,1]=4 2332 B8R0.6 CCNCCC(C)CO 34a_106354213184_100000210202 [0,1,0,0,0,0|2,0,1]=4 2333 B8R0.6 CCNN=CC(=O)OC 4a_100000756455_200011823558 [0,1,0,0,0,0|2,0,1]=4 2334 B8R0.6 CCOC=CC(=O)CC 1458a_100016266692_100000210202 [0,1,0,0,0,0|0,0,2]=3 2335 B8R0.6 CCOC=CC(=O)CF 1458a_100016266692_100015361967 [0,1,0,0,0,0|1,0,2]=4 2336 B8R0.6 CCOC=CC(=O)NC 11a_106832991635_100016266692 [0,1,0,0,0,0|1,0,2]=4 2337 B8R0.6 CCOC=CC(=O)NC 1626a_100102657272_100016266692 [0,1,0,0,0,0|1,0,2]=4 2338 B8R0.6 CCOC=CC(=O)NC 240690a_100102657272_100016266692 [0,1,0,0,0,0|1,0,2]=4 2339 B8R0.6 CCOCCC(=NO)N 34a_100000749954_100000210202 [0,1,0,0,0,0|3,0,0]=4 2340 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [0,1,0,0,0,0|0,0,0]=1 2341 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [0,1,0,0,0,0|0,0,0]=1 2342 B8R0.6 CCOCCC(=O)CF 1458a_100000749530_100015361967 [0,1,0,0,0,0|1,0,0]=2 2343 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [0,1,0,0,0,0|1,0,0]=2 2344 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [0,1,0,0,0,0|1,0,0]=2 2345 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [0,1,0,0,0,0|1,0,0]=2 2346 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [0,1,0,0,0,0|1,0,0]=2 2347 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [0,1,0,0,0,0|1,0,0]=2 2348 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [0,1,0,0,0,0|1,0,0]=2 2349 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [0,1,0,0,0,0|1,0,0]=2 2350 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [0,1,0,0,0,0|1,0,0]=2 2351 B8R0.6 CCOCCC(C)CC 7a_100011215188_100000210202 [0,1,0,0,0,0|1,0,1]=3 2352 B8R0.6 CCOCCC(C)NC 270004a_106832991635_200011216536 [0,1,0,0,0,0|2,0,1]=4 2353 B8R0.6 CCOCCC(C)OC 7a_100000764861_100000210202 [0,1,0,0,0,0|2,0,1]=4 2354 B8R0.6 CCOCCN(C)CC 2230a_100000225621_100011215890 [0,1,0,0,0,0|2,0,0]=3 2355 B8R0.6 CCOCCN(C)CC 269982a_100000225621_100011215890 [0,1,0,0,0,0|2,0,0]=3 2356 B8R0.6 CCOCSC(C)CC 62a_100000739092_100000758301 [0,1,0,0,0,0|2,0,1]=4 2357 B8R0.6 CCOCSC(C)CC 62a_100000758301_100000739092 [0,1,0,0,0,0|2,0,1]=4 2358 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [0,1,0,0,0,0|0,0,0]=1 2359 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [0,1,0,0,0,0|0,0,0]=1 2360 B8R0.6 CCSCCC(=O)CF 1458a_100000230768_100015361967 [0,1,0,0,0,0|1,0,0]=2 2361 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [0,1,0,0,0,0|1,0,0]=2 2362 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [0,1,0,0,0,0|1,0,0]=2 2363 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [0,1,0,0,0,0|1,0,0]=2 2364 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [0,1,0,0,0,0|1,0,0]=2 2365 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [0,1,0,0,0,0|1,0,0]=2 2366 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [0,1,0,0,0,0|1,0,0]=2 2367 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [0,1,0,0,0,0|1,0,0]=2 2368 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [0,1,0,0,0,0|1,0,0]=2 2369 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [0,1,0,0,0,0|1,0,0]=2 2370 B8R0.6 CCSCCN(C)CC 2230a_100000225621_100000757381 [0,1,0,0,0,0|2,0,0]=3 2371 B8R0.6 CCSCCN(C)CC 269982a_100000225621_100000757381 [0,1,0,0,0,0|2,0,0]=3 2372 B8R0.6 CCSCOC(=O)OC 62a_100000210202_100000139417 [0,1,0,0,0,0|2,0,0]=3 2373 B8R0.6 CC[C@H](C)CNCCF 34a_100000724931_100009816398 [0,1,0,0,0,0|2,0,1]=4 2374 B8R0.6 CC[C@H](C)CNCCO 2230a_100016997473_100009816398 [0,1,0,0,0,0|2,0,1]=4 2375 B8R0.6 CC[C@H](C)CNCCO 34a_100016990907_100009816398 [0,1,0,0,0,0|2,0,1]=4 2376 B8R0.6 CC[C@H](C)COCCBr 34a_100000211926_100009816398 [0,1,0,0,0,0|2,0,1]=4 2377 B8R0.6 CC[C@H](C)COCCF 7a_100009816381_100011217306 [0,1,0,0,0,0|2,0,1]=4 2378 B8R0.6 CC[C@H](C)COCCN 34a_100000210304_100009816398 [0,1,0,0,0,0|2,0,1]=4 2379 B8R0.6 CC[C@H](C)COCCO 7a_100009816381_100000211926 [0,1,0,0,0,0|2,0,1]=4 2380 B8R0.6 CC[C@H](C)CSCCF 62a_100009816398_100011217306 [0,1,0,0,0,0|2,0,1]=4 2381 B8R0.6 CC[C@H](C)CSCCF 62a_100011217306_100009816398 [0,1,0,0,0,0|2,0,1]=4 2382 B8R0.6 CC[C@H](C)CSCCO 62a_100000211926_100009816398 [0,1,0,0,0,0|2,0,1]=4 2383 B8R0.6 CC[C@H](C)CSCCO 62a_100009816398_100000211926 [0,1,0,0,0,0|2,0,1]=4 2384 B8R0.6 CC[C@H](C)CSCOC 62a_100000766300_100009816398 [0,1,0,0,0,0|2,0,1]=4 2385 B8R0.6 CC[C@H](C)CSCOC 62a_100009816398_100000766300 [0,1,0,0,0,0|2,0,1]=4 2386 B8R0.6 CC[C@H](C)CSCSC 62a_100009816398_100011218213 [0,1,0,0,0,0|2,0,1]=4 2387 B8R0.6 CC[C@H](C)CSCSC 62a_100011218213_100009816398 [0,1,0,0,0,0|2,0,1]=4 2388 B8R0.6 CN(CF)CCCCO 269982a_100000717598_100015361967 [0,1,0,0,0,0|3,0,0]=4 2389 B8R0.6 CNC(=O)C=CCOC 11a_106832991635_100016285016 [0,1,0,0,0,0|1,0,2]=4 2390 B8R0.6 CNC(=O)C=CCOC 1626a_100102657272_100016285016 [0,1,0,0,0,0|1,0,2]=4 2391 B8R0.6 CNC(=O)C=CCOC 240690a_100102657272_100016285016 [0,1,0,0,0,0|1,0,2]=4 2392 B8R0.6 CNC(=O)CCCC#N 11a_106832991635_100000075515 [0,1,0,0,0,0|1,0,1]=3 2393 B8R0.6 CNC(=O)CCCC#N 1626a_100102657272_100000075515 [0,1,0,0,0,0|1,0,1]=3 2394 B8R0.6 CNC(=O)CCCC#N 240690a_100102657272_100000075515 [0,1,0,0,0,0|1,0,1]=3 2395 B8R0.6 CNC(=O)CCCC#N 527a_100102657272_100000075515 [0,1,0,0,0,0|1,0,1]=3 2396 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [0,1,0,0,0,0|1,0,0]=2 2397 B8R0.6 CNC(=O)CCCN[13CH3] 2230a_100000740002_200025704644 [0,1,0,0,0,0|1,0,0]=2 2398 B8R0.6 CNC(=O)CCCN[13CH3] 34a_100000740002_200025704644 [0,1,0,0,0,0|1,0,0]=2 2399 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [0,1,0,0,0,0|1,0,0]=2 2400 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [0,1,0,0,0,0|1,0,0]=2 2401 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [0,1,0,0,0,0|1,0,0]=2 2402 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [0,1,0,0,0,0|1,0,0]=2 2403 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [0,1,0,0,0,0|1,0,0]=2 2404 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [0,1,0,0,0,0|1,0,0]=2 2405 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [0,1,0,0,0,0|1,0,0]=2 2406 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [0,1,0,0,0,0|1,0,0]=2 2407 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [0,1,0,0,0,0|1,0,0]=2 2408 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [0,1,0,0,0,0|1,0,0]=2 2409 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [0,1,0,0,0,0|1,0,0]=2 2410 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [0,1,0,0,0,0|1,0,0]=2 2411 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [0,1,0,0,0,0|1,0,0]=2 2412 B8R0.6 CNC(=O)CCN=[N+]=[N-] 11a_106832991635_100000688302 [0,1,0,0,0,0|3,0,0]=4 2413 B8R0.6 CNC(=O)CCN=[N+]=[N-] 240690a_100102657272_100000688302 [0,1,0,0,0,0|3,0,0]=4 2414 B8R0.6 CNC(=O)CCNCF 34a_100000738227_100015361967 [0,1,0,0,0,0|2,0,0]=3 2415 B8R0.6 CNC(=O)CCOCF 34a_100000754576_100015361967 [0,1,0,0,0,0|2,0,0]=3 2416 B8R0.6 CNC(=O)CCSCF 62a_100000737683_100015361967 [0,1,0,0,0,0|2,0,0]=3 2417 B8R0.6 CNC(=O)CCSCF 62a_100015361967_100000737683 [0,1,0,0,0,0|2,0,0]=3 2418 B8R0.6 CNC(=O)CNCC#N 2230a_100000693194_100011215382 [0,1,0,0,0,0|2,0,1]=4 2419 B8R0.6 CNC(=O)CNCC=O 2230a_100000693194_200015260668 [0,1,0,0,0,0|2,0,1]=4 2420 B8R0.6 CNC(=O)CNCCF 2230a_100000693194_100011217306 [0,1,0,0,0,0|2,0,0]=3 2421 B8R0.6 CNC(=O)CNCCF 34a_100000724931_100000183359 [0,1,0,0,0,0|2,0,0]=3 2422 B8R0.6 CNC(=O)CNCCO 2230a_100000693194_100000211926 [0,1,0,0,0,0|2,0,0]=3 2423 B8R0.6 CNC(=O)CNCCO 2230a_100016997473_100000183359 [0,1,0,0,0,0|2,0,0]=3 2424 B8R0.6 CNC(=O)CNCCO 34a_100016990907_100000183359 [0,1,0,0,0,0|2,0,0]=3 2425 B8R0.6 CNC(=O)CNCOC 2230a_100000693194_100000766300 [0,1,0,0,0,0|2,0,0]=3 2426 B8R0.6 CNC(=O)CNCSC 2230a_100000693194_100011218213 [0,1,0,0,0,0|2,0,0]=3 2427 B8R0.6 CNC(=O)COCC=O 34a_100000750040_200009817547 [0,1,0,0,0,0|2,0,1]=4 2428 B8R0.6 CNC(=O)COCCBr 34a_100000211926_100000183359 [0,1,0,0,0,0|2,0,0]=3 2429 B8R0.6 CNC(=O)COCCF 34a_100000750040_100011217306 [0,1,0,0,0,0|2,0,0]=3 2430 B8R0.6 CNC(=O)COCCN 34a_100000210304_100000183359 [0,1,0,0,0,0|2,0,0]=3 2431 B8R0.6 CNC(=O)COCCO 1626a_100102657272_100000708028 [0,1,0,0,0,0|2,0,0]=3 2432 B8R0.6 CNC(=O)COCCO 240690a_100102657272_100000708028 [0,1,0,0,0,0|2,0,0]=3 2433 B8R0.6 CNC(=O)COCCO 34a_100000750040_100000211926 [0,1,0,0,0,0|2,0,0]=3 2434 B8R0.6 CNC(=O)COCSC 34a_100000750040_100011218213 [0,1,0,0,0,0|2,0,0]=3 2435 B8R0.6 CNC(=O)CSCC#N 11a_106832991635_100000150266 [0,1,0,0,0,0|2,0,1]=4 2436 B8R0.6 CNC(=O)CSCC#N 1626a_100102657272_100000150266 [0,1,0,0,0,0|2,0,1]=4 2437 B8R0.6 CNC(=O)CSCC#N 240690a_100102657272_100000150266 [0,1,0,0,0,0|2,0,1]=4 2438 B8R0.6 CNC(=O)CSCC#N 62a_100000183359_100011215382 [0,1,0,0,0,0|2,0,1]=4 2439 B8R0.6 CNC(=O)CSCC#N 62a_100011215382_100000183359 [0,1,0,0,0,0|2,0,1]=4 2440 B8R0.6 CNC(=O)CSCC=O 62a_100000183359_200015260668 [0,1,0,0,0,0|2,0,1]=4 2441 B8R0.6 CNC(=O)CSCC=O 62a_200015260668_100000183359 [0,1,0,0,0,0|2,0,1]=4 2442 B8R0.6 CNC(=O)CSCCF 62a_100000183359_100011217306 [0,1,0,0,0,0|2,0,0]=3 2443 B8R0.6 CNC(=O)CSCCF 62a_100011217306_100000183359 [0,1,0,0,0,0|2,0,0]=3 2444 B8R0.6 CNC(=O)CSCCO 62a_100000183359_100000211926 [0,1,0,0,0,0|2,0,0]=3 2445 B8R0.6 CNC(=O)CSCCO 62a_100000211926_100000183359 [0,1,0,0,0,0|2,0,0]=3 2446 B8R0.6 CNC(=O)CSCOC 62a_100000183359_100000766300 [0,1,0,0,0,0|2,0,0]=3 2447 B8R0.6 CNC(=O)CSCOC 62a_100000766300_100000183359 [0,1,0,0,0,0|2,0,0]=3 2448 B8R0.6 CNC(=O)CSCSC 62a_100000183359_100011218213 [0,1,0,0,0,0|2,0,0]=3 2449 B8R0.6 CNC(=O)CSCSC 62a_100011218213_100000183359 [0,1,0,0,0,0|2,0,0]=3 2450 B8R0.6 CNC(=O)NCCC#N 2708a_100000720768_106832991635 [0,1,0,0,0,0|2,0,1]=4 2451 B8R0.6 CNC(=O)NCCC#N 2708a_100102657272_100000720768 [0,1,0,0,0,0|2,0,1]=4 2452 B8R0.6 CNC(=O)NCCC#N 273464a_100000720768_100102657272 [0,1,0,0,0,0|2,0,1]=4 2453 B8R0.6 CNC(=O)NCCC#N 273464a_100102657272_100000720768 [0,1,0,0,0,0|2,0,1]=4 2454 B8R0.6 CNC(=O)NCCC#N 512a_100000720768_100102657272 [0,1,0,0,0,0|2,0,1]=4 2455 B8R0.6 CNC(=O)NCCC#N 512a_106832991638_100000720768 [0,1,0,0,0,0|2,0,1]=4 2456 B8R0.6 CNC(=O)NCCCF 2708a_100015189416_106832991635 [0,1,0,0,0,0|2,0,0]=3 2457 B8R0.6 CNC(=O)NCCCF 2708a_100102657272_100015189416 [0,1,0,0,0,0|2,0,0]=3 2458 B8R0.6 CNC(=O)NCCCF 273464a_100015189416_100102657272 [0,1,0,0,0,0|2,0,0]=3 2459 B8R0.6 CNC(=O)NCCCF 273464a_100102657272_100015189416 [0,1,0,0,0,0|2,0,0]=3 2460 B8R0.6 CNC(=O)NCCCF 512a_100015189416_100102657272 [0,1,0,0,0,0|2,0,0]=3 2461 B8R0.6 CNC(=O)NCCCF 512a_106832991638_100015189416 [0,1,0,0,0,0|2,0,0]=3 2462 B8R0.6 CNC(=O)NCCCO 2708a_100102657272_100000182051 [0,1,0,0,0,0|2,0,0]=3 2463 B8R0.6 CNC(=O)NCCCO 273464a_100000182051_100102657272 [0,1,0,0,0,0|2,0,0]=3 2464 B8R0.6 CNC(=O)NCCCO 273464a_100102657272_100000182051 [0,1,0,0,0,0|2,0,0]=3 2465 B8R0.6 CNC(=O)NCCCO 512a_106832991638_100000182051 [0,1,0,0,0,0|2,0,0]=3 2466 B8R0.6 CNC(=O)NCCN[13CH3] 34a_100015205895_200025704644 [0,1,0,0,0,0|2,0,0]=3 2467 B8R0.6 CNC(=O)NCCOC 2708a_100102657272_100000209980 [0,1,0,0,0,0|2,0,0]=3 2468 B8R0.6 CNC(=O)NCCOC 273464a_100000209980_100102657272 [0,1,0,0,0,0|2,0,0]=3 2469 B8R0.6 CNC(=O)NCCOC 273464a_100102657272_100000209980 [0,1,0,0,0,0|2,0,0]=3 2470 B8R0.6 CNC(=O)NCCSC 2708a_100020590264_106832991635 [0,1,0,0,0,0|2,0,0]=3 2471 B8R0.6 CNC(=O)NCCSC 2708a_100102657272_100020590264 [0,1,0,0,0,0|2,0,0]=3 2472 B8R0.6 CNC(=O)NCCSC 273464a_100020590264_100102657272 [0,1,0,0,0,0|2,0,0]=3 2473 B8R0.6 CNC(=O)NCCSC 273464a_100102657272_100020590264 [0,1,0,0,0,0|2,0,0]=3 2474 B8R0.6 CNC(=O)NCCSC 512a_100020590264_100102657272 [0,1,0,0,0,0|2,0,0]=3 2475 B8R0.6 CNC(=O)NCCSC 512a_106832991638_100020590264 [0,1,0,0,0,0|2,0,0]=3 2476 B8R0.6 CNC(=O)NNCCO 273464a_100102657272_100000210001 [0,1,0,0,0,0|3,0,0]=4 2477 B8R0.6 CNC(=O)NNCCO 512a_106832991638_100000210001 [0,1,0,0,0,0|3,0,0]=4 2478 B8R0.6 CNC(=O)OCCOC 34a_100138415774_200011997002 [0,1,0,0,0,0|2,0,0]=3 2479 B8R0.6 CNC(=O)OCCSC 62a_200000210301_200011997002 [0,1,0,0,0,0|2,0,0]=3 2480 B8R0.6 CNC(=O)OCCSC 62a_200011997002_200000210301 [0,1,0,0,0,0|2,0,0]=3 2481 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200011997002_200025704644 [0,1,0,0,0,0|2,0,0]=3 2482 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200025704644_200011997002 [0,1,0,0,0,0|2,0,0]=3 2483 B8R0.6 CNC(C)CCCSC 270004a_106832991635_100011399439 [0,1,0,0,0,0|2,0,1]=4 2484 B8R0.6 CNC/C=C/C(=O)OC 2230a_106832991635_100000742655 [0,1,0,0,0,0|1,0,2]=4 2485 B8R0.6 CNC/C=C/C(=O)OC 34a_100102657272_100000742655 [0,1,0,0,0,0|1,0,2]=4 2486 B8R0.6 CNC/C=C/C(=O)OC 7a_106832991635_100000742655 [0,1,0,0,0,0|1,0,2]=4 2487 B8R0.6 CNCCCC(=O)NC 2230a_100000740002_200000210301 [0,1,0,0,0,0|1,0,0]=2 2488 B8R0.6 CNCCCC(=O)NC 2230a_106832991635_100000741757 [0,1,0,0,0,0|1,0,0]=2 2489 B8R0.6 CNCCCC(=O)NC 34a_100000740002_200000210301 [0,1,0,0,0,0|1,0,0]=2 2490 B8R0.6 CNCCCC(=O)NC 34a_100102657272_100000741757 [0,1,0,0,0,0|1,0,0]=2 2491 B8R0.6 CNCCCC(=O)NC 7a_106832991635_100000741757 [0,1,0,0,0,0|1,0,0]=2 2492 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [0,1,0,0,0,0|1,0,0]=2 2493 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [0,1,0,0,0,0|1,0,0]=2 2494 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [0,1,0,0,0,0|1,0,0]=2 2495 B8R0.6 CNCCNC(=O)NC 34a_100015205895_200000210301 [0,1,0,0,0,0|2,0,0]=3 2496 B8R0.6 CNCCOC(=O)NC 34a_100102657272_200011997002 [0,1,0,0,0,0|2,0,0]=3 2497 B8R0.6 CNCCOC(=O)NC 7a_106832991635_200011997002 [0,1,0,0,0,0|2,0,0]=3 2498 B8R0.6 COC(=O)/C=C/CSC 62a_100000742655_200000210301 [0,1,0,0,0,0|1,0,2]=4 2499 B8R0.6 COC(=O)/C=C/CSC 62a_200000210301_100000742655 [0,1,0,0,0,0|1,0,2]=4 2500 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_100000742655_200025704644 [0,1,0,0,0,0|1,0,2]=4 2501 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_200025704644_100000742655 [0,1,0,0,0,0|1,0,2]=4 2502 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [0,1,0,0,0,0|1,0,0]=2 2503 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [0,1,0,0,0,0|1,0,0]=2 2504 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [0,1,0,0,0,0|1,0,0]=2 2505 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [0,1,0,0,0,0|1,0,0]=2 2506 B8R0.6 COC(=O)CCSCF 62a_100000204255_100015361967 [0,1,0,0,0,0|2,0,0]=3 2507 B8R0.6 COC(=O)CCSCF 62a_100015361967_100000204255 [0,1,0,0,0,0|2,0,0]=3 2508 B8R0.6 COC(=O)CNCCF 34a_100000724931_100000747449 [0,1,0,0,0,0|2,0,0]=3 2509 B8R0.6 COC(=O)CNCCO 2230a_100016997473_100000747449 [0,1,0,0,0,0|2,0,0]=3 2510 B8R0.6 COC(=O)CNCCO 34a_100016990907_100000747449 [0,1,0,0,0,0|2,0,0]=3 2511 B8R0.6 COC(=O)COCCBr 34a_100000211926_100000747449 [0,1,0,0,0,0|2,0,0]=3 2512 B8R0.6 COC(=O)COCCN 34a_100000210304_100000747449 [0,1,0,0,0,0|2,0,0]=3 2513 B8R0.6 COC(=O)CSCC#N 62a_100000747449_100011215382 [0,1,0,0,0,0|2,0,1]=4 2514 B8R0.6 COC(=O)CSCC#N 62a_100011215382_100000747449 [0,1,0,0,0,0|2,0,1]=4 2515 B8R0.6 COC(=O)CSCC=O 62a_100000747449_200015260668 [0,1,0,0,0,0|2,0,1]=4 2516 B8R0.6 COC(=O)CSCC=O 62a_200015260668_100000747449 [0,1,0,0,0,0|2,0,1]=4 2517 B8R0.6 COC(=O)CSCCF 62a_100000747449_100011217306 [0,1,0,0,0,0|2,0,0]=3 2518 B8R0.6 COC(=O)CSCCF 62a_100011217306_100000747449 [0,1,0,0,0,0|2,0,0]=3 2519 B8R0.6 COC(=O)CSCCO 62a_100000211926_100000747449 [0,1,0,0,0,0|2,0,0]=3 2520 B8R0.6 COC(=O)CSCCO 62a_100000747449_100000211926 [0,1,0,0,0,0|2,0,0]=3 2521 B8R0.6 COC(=O)CSCSC 62a_100000747449_100011218213 [0,1,0,0,0,0|2,0,0]=3 2522 B8R0.6 COC(=O)CSCSC 62a_100011218213_100000747449 [0,1,0,0,0,0|2,0,0]=3 2523 B8R0.6 COC(=O)NCCO[13CH3] 34a_100000757965_200025704644 [0,1,0,0,0,0|2,0,0]=3 2524 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [0,1,0,0,0,0|2,0,0]=3 2525 B8R0.6 COC(=O)OCSCF 62a_100015361967_100000139417 [0,1,0,0,0,0|3,0,0]=4 2526 B8R0.6 COC/C=C/C(=O)OC 34a_100138415774_100000742655 [0,1,0,0,0,0|1,0,2]=4 2527 B8R0.6 COCC=CC(=O)CF 1458a_100016285016_100015361967 [0,1,0,0,0,0|1,0,2]=4 2528 B8R0.6 COCCCC(=O)CF 1458a_100000741012_100015361967 [0,1,0,0,0,0|1,0,0]=2 2529 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [0,1,0,0,0,0|1,0,0]=2 2530 B8R0.6 COCCCC(=O)NN 34a_100000211488_200000210301 [0,1,0,0,0,0|2,0,0]=3 2531 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [0,1,0,0,0,0|1,0,0]=2 2532 B8R0.6 COCCCC(C)OC 34a_200011539412_200000210301 [0,1,0,0,0,0|2,0,1]=4 2533 B8R0.6 COCCCC(C)OC 7a_200011539412_200000210301 [0,1,0,0,0,0|2,0,1]=4 2534 B8R0.6 COCCCC(C)O[13CH3] 34a_200011539412_200025704644 [0,1,0,0,0,0|2,0,1]=4 2535 B8R0.6 COCCCC(C)O[13CH3] 7a_200011539412_200025704644 [0,1,0,0,0,0|2,0,1]=4 2536 B8R0.6 COCCCN(C)CF 269982a_100000224831_100015361967 [0,1,0,0,0,0|3,0,0]=4 2537 B8R0.6 COCCC[C@@H](C)CN 34a_100160569302_200000210301 [0,1,0,0,0,0|2,0,1]=4 2538 B8R0.6 COCCNC(=O)CO 240690a_100000209980_100000210174 [0,1,0,0,0,0|2,0,0]=3 2539 B8R0.6 COCCNC(=O)CO 527a_100000209980_100000210174 [0,1,0,0,0,0|2,0,0]=3 2540 B8R0.6 COCCNC(=O)OC 34a_100000757965_200000210301 [0,1,0,0,0,0|2,0,0]=3 2541 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [0,1,0,0,0,0|2,0,0]=3 2542 B8R0.6 COCSCC(=O)OC 62a_100000747449_100000766300 [0,1,0,0,0,0|2,0,0]=3 2543 B8R0.6 COCSCC(=O)OC 62a_100000766300_100000747449 [0,1,0,0,0,0|2,0,0]=3 2544 B8R0.6 CSCCCC(=O)CF 1458a_100000173376_100015361967 [0,1,0,0,0,0|1,0,0]=2 2545 B8R0.6 CSCCNC(=O)CO 240690a_100020590264_100000210174 [0,1,0,0,0,0|2,0,0]=3 2546 B8R0.6 CSCCNC(=O)CO 527a_100020590264_100000210174 [0,1,0,0,0,0|2,0,0]=3 2547 B8R0.6 C[C@@H](CN)CCCO[13CH3] 34a_100160569302_200025704644 [0,1,0,0,0,0|2,0,1]=4 2548 B8R0.6 N#CCCCC(=O)CF 1458a_100000075515_100015361967 [0,1,0,0,0,0|1,0,1]=3 2549 B8R0.6 N#CCCCC(=O)CO 1458a_100000210174_100000211468 [0,1,0,0,0,0|1,0,1]=3 2550 B8R0.6 N#CCCNC(=O)CO 240690a_100000720768_100000210174 [0,1,0,0,0,0|2,0,1]=4 2551 B8R0.6 N#CCCNC(=O)CO 527a_100000720768_100000210174 [0,1,0,0,0,0|2,0,1]=4 2552 B8R0.6 N#CCSCC(=O)CF 1458a_100000150266_100015361967 [0,1,0,0,0,0|2,0,1]=4 2553 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [0,1,0,0,0,0|1,0,0]=2 2554 B8R0.6 O=C(CF)COCCO 1458a_100000708028_100015361967 [0,1,0,0,0,0|2,0,0]=3 2555 B8R0.6 O=C(CO)CC#CCO 1458a_100000210174_200000047223 [0,1,0,0,0,0|1,0,2]=4 2556 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [0,1,0,0,0,0|1,0,0]=2 2557 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [0,1,0,0,0,0|1,0,0]=2 2558 B8R0.6 O=C(CO)NCCCF 240690a_100015189416_100000210174 [0,1,0,0,0,0|2,0,0]=3 2559 B8R0.6 O=C(CO)NCCCF 527a_100015189416_100000210174 [0,1,0,0,0,0|2,0,0]=3 2560 B8R0.6 O=C(CO)NCCCO 240690a_100000182051_100000210174 [0,1,0,0,0,0|2,0,0]=3 2561 B8R0.6 O=C(CO)NCCCO 527a_100000182051_100000210174 [0,1,0,0,0,0|2,0,0]=3 2562 B8R0.6 O=C(CO)NNCCO 22a_100000210001_100000210174 [0,1,0,0,0,0|3,0,0]=4 2563 B8R0.6 [13CH3]OCCCC(=O)NN 34a_100000211488_200025704644 [0,1,0,0,0,0|2,0,0]=3 2564 B8R0.6 [N-]=[N+]=NCCC(=O)CF 1458a_100000688302_100015361967 [0,1,0,0,0,0|3,0,0]=4 2565 B8R0.8 C#CCCC(=O)C(=C)C 1458a_100000185857_100000753159 [0,1,0,0,0,0|0,0,3]=4 2566 B8R0.8 C#CCCC(=O)C(C)C 1458a_100000210198_100000753159 [0,1,0,0,0,0|0,0,2]=3 2567 B8R0.8 C#CCCC(=O)C(C)C 1458a_100000692101_100000210206 [0,1,0,0,0,0|0,0,2]=3 2568 B8R0.8 C#CCCC(=O)C(C)F 1458a_100000062450_100000753159 [0,1,0,0,0,0|0,0,2]=3 2569 B8R0.8 C#CCCC(=O)C(O)O 1458a_100000233687_100000753159 [0,1,0,0,0,0|1,0,2]=4 2570 B8R0.8 C#CCCC(=O)N(C)C 11a_100102631434_100000692101 [0,1,0,0,0,0|1,0,2]=4 2571 B8R0.8 C#CCCC(=O)N(C)C 1626a_100102631434_100000692101 [0,1,0,0,0,0|1,0,2]=4 2572 B8R0.8 C#CCCC(=O)N(C)C 240690a_100102631434_100000692101 [0,1,0,0,0,0|1,0,2]=4 2573 B8R0.8 C#CCCC(=O)N(C)C 527a_100102631434_100000692101 [0,1,0,0,0,0|1,0,2]=4 2574 B8R0.8 C#CCCC(=O)[C@@H](C)O 1458a_100000717761_100000753159 [0,1,0,0,0,0|0,0,2]=3 2575 B8R0.8 C#CCCC(=O)[C@H](C)O 1458a_217856618621_100000753159 [0,1,0,0,0,0|0,0,2]=3 2576 B8R0.8 C#CCNC(=O)C(C)C 11a_100000212058_100000210198 [0,1,0,0,0,0|1,0,2]=4 2577 B8R0.8 C#CCNC(=O)C(C)C 1626a_100000212058_100000210198 [0,1,0,0,0,0|1,0,2]=4 2578 B8R0.8 C#CCNC(=O)C(C)C 240690a_100000212058_100000210198 [0,1,0,0,0,0|1,0,2]=4 2579 B8R0.8 C#CCNC(=O)C(C)C 527a_100000212058_100000210198 [0,1,0,0,0,0|1,0,2]=4 2580 B8R0.8 C#CCNC(=O)C(C)F 11a_100000212058_100000062450 [0,1,0,0,0,0|1,0,2]=4 2581 B8R0.8 C#CCNC(=O)C(C)F 1626a_100000212058_100000062450 [0,1,0,0,0,0|1,0,2]=4 2582 B8R0.8 C#CCNC(=O)C(C)F 240690a_100000212058_100000062450 [0,1,0,0,0,0|1,0,2]=4 2583 B8R0.8 C#CCNC(=O)C(C)F 527a_100000212058_100000062450 [0,1,0,0,0,0|1,0,2]=4 2584 B8R0.8 C#CCNC(=O)[C@@H](C)O 240690a_100000212058_100000717761 [0,1,0,0,0,0|1,0,2]=4 2585 B8R0.8 C#CCNC(=O)[C@H](C)O 1626a_100000212058_217856618621 [0,1,0,0,0,0|1,0,2]=4 2586 B8R0.8 C#CCNC(=O)[C@H](C)O 240690a_100000212058_217856618621 [0,1,0,0,0,0|1,0,2]=4 2587 B8R0.8 C/C=C/CC(=O)C(C)C 1458a_100000210198_100102629194 [0,1,0,0,0,0|0,0,2]=3 2588 B8R0.8 C/C=C/CC(=O)C(C)F 1458a_100000062450_100102629194 [0,1,0,0,0,0|0,0,2]=3 2589 B8R0.8 C/C=C/CC(=O)C(O)O 1458a_100000233687_100102629194 [0,1,0,0,0,0|1,0,2]=4 2590 B8R0.8 C/C=C/CC(=O)[C@@H](C)O 1458a_100000717761_100102629194 [0,1,0,0,0,0|0,0,2]=3 2591 B8R0.8 C/C=C/CC(=O)[C@H](C)O 1458a_217856618621_100102629194 [0,1,0,0,0,0|0,0,2]=3 2592 B8R0.8 C=C(Br)C(=O)NCCC 11a_100020643023_100009813364 [0,1,0,0,0,0|1,0,2]=4 2593 B8R0.8 C=C(Br)C(=O)NCCC 1626a_100020643023_100009813364 [0,1,0,0,0,0|1,0,2]=4 2594 B8R0.8 C=C(C)C(=O)C/C=C/C 1458a_100000185857_100102629194 [0,1,0,0,0,0|0,0,3]=4 2595 B8R0.8 C=C(C)C(=O)CC#CC 1458a_100000185857_100000748600 [0,1,0,0,0,0|0,0,3]=4 2596 B8R0.8 C=C(C)C(=O)CC=CC 1458a_100000185857_100000070051 [0,1,0,0,0,0|0,0,3]=4 2597 B8R0.8 C=C(C)C(=O)CCC#N 1458a_100000185857_100011215226 [0,1,0,0,0,0|1,0,2]=4 2598 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [0,1,0,0,0,0|0,0,1]=2 2599 B8R0.8 C=C(C)C(=O)CCCF 1458a_100000185857_100011934791 [0,1,0,0,0,0|1,0,1]=3 2600 B8R0.8 C=C(C)C(=O)CCCO 1458a_100000185857_100011215043 [0,1,0,0,0,0|1,0,1]=3 2601 B8R0.8 C=C(C)C(=O)CCOC 1458a_100000185857_100000233755 [0,1,0,0,0,0|1,0,1]=3 2602 B8R0.8 C=C(C)C(=O)CCSC 1458a_100000185857_100000751147 [0,1,0,0,0,0|1,0,1]=3 2603 B8R0.8 C=C(C)C(=O)NCCC 11a_100020643023_100000185857 [0,1,0,0,0,0|1,0,1]=3 2604 B8R0.8 C=C(C)C(=O)NCCC 1626a_100020643023_100000185857 [0,1,0,0,0,0|1,0,1]=3 2605 B8R0.8 C=C(C)C(=O)NCCF 11a_100000724931_100000185857 [0,1,0,0,0,0|2,0,1]=4 2606 B8R0.8 C=C(C)C(=O)NCCF 1626a_100000724931_100000185857 [0,1,0,0,0,0|2,0,1]=4 2607 B8R0.8 C=C(C)C(=O)NNCC 22a_100000756455_100000185857 [0,1,0,0,0,0|2,0,1]=4 2608 B8R0.8 C=C(Cl)C(=O)NCCC 11a_100020643023_100000039160 [0,1,0,0,0,0|1,0,2]=4 2609 B8R0.8 C=C(Cl)C(=O)NCCC 1626a_100020643023_100000039160 [0,1,0,0,0,0|1,0,2]=4 2610 B8R0.8 C=C(F)C(=O)NCCC 11a_100020643023_100000036797 [0,1,0,0,0,0|1,0,2]=4 2611 B8R0.8 C=C(F)C(=O)NCCC 1626a_100020643023_100000036797 [0,1,0,0,0,0|1,0,2]=4 2612 B8R0.8 C=CCCC(=O)C(=C)C 1458a_100000185857_100000754431 [0,1,0,0,0,0|0,0,3]=4 2613 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000210198_100000754431 [0,1,0,0,0,0|0,0,2]=3 2614 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000749702_100000210206 [0,1,0,0,0,0|0,0,2]=3 2615 B8R0.8 C=CCCC(=O)C(C)F 1458a_100000062450_100000754431 [0,1,0,0,0,0|0,0,2]=3 2616 B8R0.8 C=CCCC(=O)C(O)O 1458a_100000233687_100000754431 [0,1,0,0,0,0|1,0,2]=4 2617 B8R0.8 C=CCCC(=O)N(C)C 11a_100102631434_100000749702 [0,1,0,0,0,0|1,0,2]=4 2618 B8R0.8 C=CCCC(=O)N(C)C 1626a_100102631434_100000749702 [0,1,0,0,0,0|1,0,2]=4 2619 B8R0.8 C=CCCC(=O)N(C)C 240690a_100102631434_100000749702 [0,1,0,0,0,0|1,0,2]=4 2620 B8R0.8 C=CCCC(=O)N(C)C 527a_100102631434_100000749702 [0,1,0,0,0,0|1,0,2]=4 2621 B8R0.8 C=CCCC(=O)[C@@H](C)O 1458a_100000717761_100000754431 [0,1,0,0,0,0|0,0,2]=3 2622 B8R0.8 C=CCCC(=O)[C@H](C)O 1458a_217856618621_100000754431 [0,1,0,0,0,0|0,0,2]=3 2623 B8R0.8 C=CCNC(=O)C(C)C 1626a_100020586998_100000210198 [0,1,0,0,0,0|1,0,2]=4 2624 B8R0.8 C=CCNC(=O)C(C)C 240690a_100020586998_100000210198 [0,1,0,0,0,0|1,0,2]=4 2625 B8R0.8 C=CCNC(=O)C(C)C 527a_100020586998_100000210198 [0,1,0,0,0,0|1,0,2]=4 2626 B8R0.8 C=CCNC(=O)C(C)F 1626a_100020586998_100000062450 [0,1,0,0,0,0|1,0,2]=4 2627 B8R0.8 C=CCNC(=O)C(C)F 240690a_100020586998_100000062450 [0,1,0,0,0,0|1,0,2]=4 2628 B8R0.8 C=CCNC(=O)C(C)F 527a_100020586998_100000062450 [0,1,0,0,0,0|1,0,2]=4 2629 B8R0.8 C=CCNC(=O)[C@@H](C)O 240690a_100020586998_100000717761 [0,1,0,0,0,0|1,0,2]=4 2630 B8R0.8 C=CCNC(=O)[C@H](C)O 1626a_100020586998_217856618621 [0,1,0,0,0,0|1,0,2]=4 2631 B8R0.8 C=CCNC(=O)[C@H](C)O 240690a_100020586998_217856618621 [0,1,0,0,0,0|1,0,2]=4 2632 B8R0.8 CC#CCC(=O)C(C)C 1458a_100000210198_100000748600 [0,1,0,0,0,0|0,0,2]=3 2633 B8R0.8 CC#CCC(=O)C(C)F 1458a_100000062450_100000748600 [0,1,0,0,0,0|0,0,2]=3 2634 B8R0.8 CC#CCC(=O)C(O)O 1458a_100000233687_100000748600 [0,1,0,0,0,0|1,0,2]=4 2635 B8R0.8 CC#CCC(=O)[C@@H](C)O 1458a_100000717761_100000748600 [0,1,0,0,0,0|0,0,2]=3 2636 B8R0.8 CC#CCC(=O)[C@H](C)O 1458a_217856618621_100000748600 [0,1,0,0,0,0|0,0,2]=3 2637 B8R0.8 CC(=O)C(=O)CSCF 62a_100011261029_100015361967 [0,1,0,0,0,0|2,0,1]=4 2638 B8R0.8 CC(=O)C(=O)CSCF 62a_100015361967_100011261029 [0,1,0,0,0,0|2,0,1]=4 2639 B8R0.8 CC(C)C(=O)C#CCO 1458a_100000049017_100000210206 [0,1,0,0,0,0|1,0,2]=4 2640 B8R0.8 CC(C)C(=O)CCC#N 1458a_100000210198_100011215226 [0,1,0,0,0,0|1,0,1]=3 2641 B8R0.8 CC(C)C(=O)CCC#N 1458a_100011934036_100000210206 [0,1,0,0,0,0|1,0,1]=3 2642 B8R0.8 CC(C)C(=O)CCCF 1458a_100000210198_100011934791 [0,1,0,0,0,0|1,0,0]=2 2643 B8R0.8 CC(C)C(=O)CCCO 1458a_100000210198_100011215043 [0,1,0,0,0,0|1,0,0]=2 2644 B8R0.8 CC(C)C(=O)CSCF 62a_100000753385_100015361967 [0,1,0,0,0,0|2,0,0]=3 2645 B8R0.8 CC(C)C(=O)CSCF 62a_100015361967_100000753385 [0,1,0,0,0,0|2,0,0]=3 2646 B8R0.8 CC(C)C(=O)NCC#N 1626a_100000734998_100000210198 [0,1,0,0,0,0|2,0,1]=4 2647 B8R0.8 CC(C)C(=O)NCC#N 527a_100000734998_100000210198 [0,1,0,0,0,0|2,0,1]=4 2648 B8R0.8 CC(C)C(=O)NCCF 11a_100000724931_100000210198 [0,1,0,0,0,0|2,0,0]=3 2649 B8R0.8 CC(C)C(=O)NCCF 1626a_100000724931_100000210198 [0,1,0,0,0,0|2,0,0]=3 2650 B8R0.8 CC(C)C(=O)NCCF 240690a_100000724931_100000210198 [0,1,0,0,0,0|2,0,0]=3 2651 B8R0.8 CC(C)C(=O)NCCF 527a_100000724931_100000210198 [0,1,0,0,0,0|2,0,0]=3 2652 B8R0.8 CC(C)C(=O)NCCO 240690a_100000210304_100000210198 [0,1,0,0,0,0|2,0,0]=3 2653 B8R0.8 CC(C)C(=O)NCCO 527a_100000210304_100000210198 [0,1,0,0,0,0|2,0,0]=3 2654 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_100000139345_200025704644 [0,1,0,0,0,0|2,0,0]=3 2655 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_200025704644_100000139345 [0,1,0,0,0,0|2,0,0]=3 2656 B8R0.8 CC(C)C(N)CCO[13CH3] 34a_100161115045_200025704644 [0,1,0,0,0,0|2,0,1]=4 2657 B8R0.8 CC(C)N(C)CCCF 269982a_200000211004_100011934791 [0,1,0,0,0,0|3,0,0]=4 2658 B8R0.8 CC(C)N(C)CCCO 2230a_100000182298_200000210301 [0,1,0,0,0,0|3,0,0]=4 2659 B8R0.8 CC(C)N(C)CCCO 2230a_100000213112_100000210206 [0,1,0,0,0,0|3,0,0]=4 2660 B8R0.8 CC(C)N(C)CCCO 269982a_100000182298_200000210301 [0,1,0,0,0,0|3,0,0]=4 2661 B8R0.8 CC(C)N(C)CCCO 269982a_100000213112_100000210206 [0,1,0,0,0,0|3,0,0]=4 2662 B8R0.8 CC(C)N(C)CCCO 269982a_200000211004_100011215043 [0,1,0,0,0,0|3,0,0]=4 2663 B8R0.8 CC(C)N([13CH3])CCCO 2230a_100000182298_200025704644 [0,1,0,0,0,0|3,0,0]=4 2664 B8R0.8 CC(C)N([13CH3])CCCO 269982a_100000182298_200025704644 [0,1,0,0,0,0|3,0,0]=4 2665 B8R0.8 CC(F)C(=O)CCC#N 1458a_100000062450_100011215226 [0,1,0,0,0,0|1,0,1]=3 2666 B8R0.8 CC(F)C(=O)CCCF 1458a_100000062450_100011934791 [0,1,0,0,0,0|1,0,0]=2 2667 B8R0.8 CC(F)C(=O)CCCO 1458a_100000062450_100011215043 [0,1,0,0,0,0|1,0,0]=2 2668 B8R0.8 CC(F)C(=O)NCC#N 1626a_100000734998_100000062450 [0,1,0,0,0,0|2,0,1]=4 2669 B8R0.8 CC(F)C(=O)NCC#N 527a_100000734998_100000062450 [0,1,0,0,0,0|2,0,1]=4 2670 B8R0.8 CC(F)C(=O)NCCF 11a_100000724931_100000062450 [0,1,0,0,0,0|2,0,0]=3 2671 B8R0.8 CC(F)C(=O)NCCF 1626a_100000724931_100000062450 [0,1,0,0,0,0|2,0,0]=3 2672 B8R0.8 CC(F)C(=O)NCCF 240690a_100000724931_100000062450 [0,1,0,0,0,0|2,0,0]=3 2673 B8R0.8 CC(F)C(=O)NCCF 527a_100000724931_100000062450 [0,1,0,0,0,0|2,0,0]=3 2674 B8R0.8 CC(F)C(=O)NCCO 240690a_100000210304_100000062450 [0,1,0,0,0,0|2,0,0]=3 2675 B8R0.8 CC(F)C(=O)NCCO 527a_100000210304_100000062450 [0,1,0,0,0,0|2,0,0]=3 2676 B8R0.8 CC=CCC(=O)C(C)C 1458a_100000210198_100000070051 [0,1,0,0,0,0|0,0,2]=3 2677 B8R0.8 CC=CCC(=O)C(C)C 1458a_100121576822_100000210206 [0,1,0,0,0,0|0,0,2]=3 2678 B8R0.8 CC=CCC(=O)C(C)F 1458a_100000062450_100000070051 [0,1,0,0,0,0|0,0,2]=3 2679 B8R0.8 CC=CCC(=O)C(O)O 1458a_100000233687_100000070051 [0,1,0,0,0,0|1,0,2]=4 2680 B8R0.8 CC=CCC(=O)N(C)C 11a_100102631434_100121576822 [0,1,0,0,0,0|1,0,2]=4 2681 B8R0.8 CC=CCC(=O)N(C)C 1626a_100102631434_100121576822 [0,1,0,0,0,0|1,0,2]=4 2682 B8R0.8 CC=CCC(=O)N(C)C 240690a_100102631434_100121576822 [0,1,0,0,0,0|1,0,2]=4 2683 B8R0.8 CC=CCC(=O)N(C)C 527a_100102631434_100121576822 [0,1,0,0,0,0|1,0,2]=4 2684 B8R0.8 CC=CCC(=O)[C@@H](C)O 1458a_100000717761_100000070051 [0,1,0,0,0,0|0,0,2]=3 2685 B8R0.8 CC=CCC(=O)[C@H](C)O 1458a_217856618621_100000070051 [0,1,0,0,0,0|0,0,2]=3 2686 B8R0.8 CC=NNC(=O)C(C)C 4a_100000184118_200000210099 [0,1,0,0,0,0|2,0,1]=4 2687 B8R0.8 CCC#CC(=O)C(C)C 1458a_100011827653_100000210206 [0,1,0,0,0,0|0,0,2]=3 2688 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [0,1,0,0,0,0|1,0,2]=4 2689 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [0,1,0,0,0,0|1,0,2]=4 2690 B8R0.8 CCC=CC(=O)C(C)C 1458a_100000212282_100000210206 [0,1,0,0,0,0|0,0,2]=3 2691 B8R0.8 CCC=CC(=O)N(C)C 11a_100102631434_100000212282 [0,1,0,0,0,0|1,0,2]=4 2692 B8R0.8 CCC=CC(=O)N(C)C 1626a_100102631434_100000212282 [0,1,0,0,0,0|1,0,2]=4 2693 B8R0.8 CCC=CC(=O)N(C)C 240690a_100102631434_100000212282 [0,1,0,0,0,0|1,0,2]=4 2694 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210183_100000210206 [0,1,0,0,0,0|0,0,0]=1 2695 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210198_100000210211 [0,1,0,0,0,0|0,0,0]=1 2696 B8R0.8 CCCCC(=O)C(C)F 1458a_100000062450_100000210211 [0,1,0,0,0,0|0,0,0]=1 2697 B8R0.8 CCCCC(=O)C(O)O 1458a_100000233687_100000210211 [0,1,0,0,0,0|1,0,0]=2 2698 B8R0.8 CCCCC(=O)N(C)C 11a_100102631434_100000210183 [0,1,0,0,0,0|1,0,0]=2 2699 B8R0.8 CCCCC(=O)N(C)C 1626a_100102631434_100000210183 [0,1,0,0,0,0|1,0,0]=2 2700 B8R0.8 CCCCC(=O)N(C)C 240690a_100102631434_100000210183 [0,1,0,0,0,0|1,0,0]=2 2701 B8R0.8 CCCCC(=O)N(C)C 527a_100102631434_100000210183 [0,1,0,0,0,0|1,0,0]=2 2702 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [0,1,0,0,0,0|0,0,0]=1 2703 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [0,1,0,0,0,0|0,0,0]=1 2704 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [0,1,0,0,0,0|1,0,2]=4 2705 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [0,1,0,0,0,0|1,0,2]=4 2706 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [0,1,0,0,0,0|1,0,2]=4 2707 B8R0.8 CCCCC(C)N(C)C 2230a_100102631434_200011215066 [0,1,0,0,0,0|2,0,1]=4 2708 B8R0.8 CCCCC(C)N(C)C 269982a_100102631434_200011215066 [0,1,0,0,0,0|2,0,1]=4 2709 B8R0.8 CCCCC(C)N(C)C 270004a_100102631434_100000210087 [0,1,0,0,0,0|2,0,1]=4 2710 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [0,1,0,0,0,0|0,0,3]=4 2711 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [0,1,0,0,0,0|0,0,3]=4 2712 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [0,1,0,0,0,0|2,0,1]=4 2713 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [0,1,0,0,0,0|2,0,1]=4 2714 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [0,1,0,0,0,0|2,0,1]=4 2715 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [0,1,0,0,0,0|2,0,1]=4 2716 B8R0.8 CCCCN(C)C(C)C 2230a_100000207398_200000210301 [0,1,0,0,0,0|2,0,0]=3 2717 B8R0.8 CCCCN(C)C(C)C 2230a_100000207549_100000210206 [0,1,0,0,0,0|2,0,0]=3 2718 B8R0.8 CCCCN(C)C(C)C 269982a_100000207398_200000210301 [0,1,0,0,0,0|2,0,0]=3 2719 B8R0.8 CCCCN(C)C(C)C 269982a_100000207549_100000210206 [0,1,0,0,0,0|2,0,0]=3 2720 B8R0.8 CCCCN(C)C(C)C 269982a_200000211004_100000210211 [0,1,0,0,0,0|2,0,0]=3 2721 B8R0.8 CCCCN([13CH3])C(C)C 2230a_100000207398_200025704644 [0,1,0,0,0,0|2,0,0]=3 2722 B8R0.8 CCCCN([13CH3])C(C)C 269982a_100000207398_200025704644 [0,1,0,0,0,0|2,0,0]=3 2723 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [0,1,0,0,0,0|1,0,1]=3 2724 B8R0.8 CCCNC(=O)C(=O)N 240690a_100020643023_100011215815 [0,1,0,0,0,0|2,0,1]=4 2725 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [0,1,0,0,0,0|1,0,1]=3 2726 B8R0.8 CCCNC(=O)C(C)C 11a_100020643023_100000210198 [0,1,0,0,0,0|1,0,0]=2 2727 B8R0.8 CCCNC(=O)C(C)C 1626a_100020643023_100000210198 [0,1,0,0,0,0|1,0,0]=2 2728 B8R0.8 CCCNC(=O)C(C)C 240690a_100020643023_100000210198 [0,1,0,0,0,0|1,0,0]=2 2729 B8R0.8 CCCNC(=O)C(C)C 527a_100020643023_100000210198 [0,1,0,0,0,0|1,0,0]=2 2730 B8R0.8 CCCNC(=O)C(C)F 11a_100020643023_100000062450 [0,1,0,0,0,0|1,0,0]=2 2731 B8R0.8 CCCNC(=O)C(C)F 1626a_100020643023_100000062450 [0,1,0,0,0,0|1,0,0]=2 2732 B8R0.8 CCCNC(=O)C(C)F 240690a_100020643023_100000062450 [0,1,0,0,0,0|1,0,0]=2 2733 B8R0.8 CCCNC(=O)C(C)F 527a_100020643023_100000062450 [0,1,0,0,0,0|1,0,0]=2 2734 B8R0.8 CCCNC(=O)C(F)F 11a_100020643023_100000210393 [0,1,0,0,0,0|2,0,0]=3 2735 B8R0.8 CCCNC(=O)C(F)F 1626a_100020643023_100000210393 [0,1,0,0,0,0|2,0,0]=3 2736 B8R0.8 CCCNC(=O)C(F)F 240690a_100020643023_100000210393 [0,1,0,0,0,0|2,0,0]=3 2737 B8R0.8 CCCNC(=O)C(F)F 527a_100020643023_100000210393 [0,1,0,0,0,0|2,0,0]=3 2738 B8R0.8 CCCNC(=O)C(O)O 240690a_100020643023_100000233687 [0,1,0,0,0,0|2,0,0]=3 2739 B8R0.8 CCCNC(=O)N(C)C 2708a_100020643023_100102631434 [0,1,0,0,0,0|2,0,0]=3 2740 B8R0.8 CCCNC(=O)[C@@H](C)O 240690a_100020643023_100000717761 [0,1,0,0,0,0|1,0,0]=2 2741 B8R0.8 CCCNC(=O)[C@H](C)O 1626a_100020643023_217856618621 [0,1,0,0,0,0|1,0,0]=2 2742 B8R0.8 CCCNC(=O)[C@H](C)O 240690a_100020643023_217856618621 [0,1,0,0,0,0|1,0,0]=2 2743 B8R0.8 CCCNC(C)C(C)C 2230a_100000211541_100000210303 [0,1,0,0,0,0|2,0,1]=4 2744 B8R0.8 CCCOC(C)C(C)C 7a_100000748068_100000210303 [0,1,0,0,0,0|2,0,1]=4 2745 B8R0.8 CCNCC(=O)C(C)C 2230a_100015525214_100000753385 [0,1,0,0,0,0|1,0,0]=2 2746 B8R0.8 CCNCC(=O)N(C)C 2230a_100015183351_100000210202 [0,1,0,0,0,0|2,0,0]=3 2747 B8R0.8 CCNCC(=O)N(C)C 2230a_100015525214_100000185267 [0,1,0,0,0,0|2,0,0]=3 2748 B8R0.8 CCNCC(O)C(C)C 2230a_100000759067_100000210202 [0,1,0,0,0,0|1,0,2]=4 2749 B8R0.8 CCNCC(O)C(C)C 34a_100000759067_100000210202 [0,1,0,0,0,0|1,0,2]=4 2750 B8R0.8 CCNN=C(C)C(C)C 4a_100000756455_100000211110 [0,1,0,0,0,0|3,0,0]=4 2751 B8R0.8 CCNN=C(C)C(C)O 4a_100000756455_100000212229 [0,1,0,0,0,0|3,0,0]=4 2752 B8R0.8 CCNNC(=O)C(C)C 22a_100000756455_100000210198 [0,1,0,0,0,0|2,0,0]=3 2753 B8R0.8 CCNNC(=O)C(C)F 22a_100000756455_100000062450 [0,1,0,0,0,0|2,0,0]=3 2754 B8R0.8 CCNNC(=O)C(F)F 22a_100000756455_100000210393 [0,1,0,0,0,0|3,0,0]=4 2755 B8R0.8 CCNNC(=O)C(O)O 22a_100000756455_100000233687 [0,1,0,0,0,0|3,0,0]=4 2756 B8R0.8 CCNNC(=O)[C@@H](C)O 22a_100000756455_100000717761 [0,1,0,0,0,0|2,0,0]=3 2757 B8R0.8 CCNNC(=O)[C@H](C)O 22a_100000756455_217856618621 [0,1,0,0,0,0|2,0,0]=3 2758 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [0,1,0,0,0,0|1,0,1]=3 2759 B8R0.8 CCOCC(=O)C(C)C 1458a_100000211967_100000210206 [0,1,0,0,0,0|1,0,0]=2 2760 B8R0.8 CCOCC(=O)C(C)C 34a_100121572206_100000753385 [0,1,0,0,0,0|1,0,0]=2 2761 B8R0.8 CCOCC(=O)N(C)C 11a_100102631434_100000211967 [0,1,0,0,0,0|2,0,0]=3 2762 B8R0.8 CCOCC(=O)N(C)C 1626a_100102631434_100000211967 [0,1,0,0,0,0|2,0,0]=3 2763 B8R0.8 CCOCC(=O)N(C)C 240690a_100102631434_100000211967 [0,1,0,0,0,0|2,0,0]=3 2764 B8R0.8 CCOCC(=O)N(C)C 34a_100121572206_100000692301 [0,1,0,0,0,0|2,0,0]=3 2765 B8R0.8 CCOCC(=O)N(C)C 527a_100102631434_100000211967 [0,1,0,0,0,0|2,0,0]=3 2766 B8R0.8 CCOCN(C)C(C)C 269982a_200000211004_100000739092 [0,1,0,0,0,0|3,0,0]=4 2767 B8R0.8 CCOC[C@H](N)C(C)C 34a_100011830312_100000210202 [0,1,0,0,0,0|2,0,1]=4 2768 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [0,1,0,0,0,0|1,0,1]=3 2769 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [0,1,0,0,0,0|1,0,1]=3 2770 B8R0.8 CCSCC(=O)C(C)C 1458a_100000230394_100000210206 [0,1,0,0,0,0|1,0,0]=2 2771 B8R0.8 CCSCC(=O)C(C)C 62a_100000210202_100000753385 [0,1,0,0,0,0|1,0,0]=2 2772 B8R0.8 CCSCC(=O)C(C)C 62a_100000753385_100000210202 [0,1,0,0,0,0|1,0,0]=2 2773 B8R0.8 CCSCC(=O)N(C)C 11a_100102631434_100000230394 [0,1,0,0,0,0|2,0,0]=3 2774 B8R0.8 CCSCC(=O)N(C)C 1626a_100102631434_100000230394 [0,1,0,0,0,0|2,0,0]=3 2775 B8R0.8 CCSCC(=O)N(C)C 240690a_100102631434_100000230394 [0,1,0,0,0,0|2,0,0]=3 2776 B8R0.8 CCSCC(=O)N(C)C 527a_100102631434_100000230394 [0,1,0,0,0,0|2,0,0]=3 2777 B8R0.8 CCSCC(=O)N(C)C 62a_100000210202_100000692301 [0,1,0,0,0,0|2,0,0]=3 2778 B8R0.8 CCSCC(=O)N(C)C 62a_100000692301_100000210202 [0,1,0,0,0,0|2,0,0]=3 2779 B8R0.8 CN(C)C(=O)CCC#N 11a_100102631434_100011934036 [0,1,0,0,0,0|2,0,1]=4 2780 B8R0.8 CN(C)C(=O)CCC#N 1626a_100102631434_100011934036 [0,1,0,0,0,0|2,0,1]=4 2781 B8R0.8 CN(C)C(=O)CCC#N 240690a_100102631434_100011934036 [0,1,0,0,0,0|2,0,1]=4 2782 B8R0.8 CN(C)C(=O)CCC#N 527a_100102631434_100011934036 [0,1,0,0,0,0|2,0,1]=4 2783 B8R0.8 CN(C)C(=O)CCN[13CH3] 2230a_100000738053_200025704644 [0,1,0,0,0,0|2,0,0]=3 2784 B8R0.8 CN(C)C(=O)CCO[13CH3] 34a_200000747469_200025704644 [0,1,0,0,0,0|2,0,0]=3 2785 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_100000737620_200025704644 [0,1,0,0,0,0|2,0,0]=3 2786 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_200025704644_100000737620 [0,1,0,0,0,0|2,0,0]=3 2787 B8R0.8 CN(C)C(=O)CSCF 62a_100000692301_100015361967 [0,1,0,0,0,0|3,0,0]=4 2788 B8R0.8 CN(C)C(=O)CSCF 62a_100015361967_100000692301 [0,1,0,0,0,0|3,0,0]=4 2789 B8R0.8 CNCCC(=O)N(C)C 2230a_100000738053_200000210301 [0,1,0,0,0,0|2,0,0]=3 2790 B8R0.8 CNCCC(=O)N(C)C 2230a_106832991635_100000737620 [0,1,0,0,0,0|2,0,0]=3 2791 B8R0.8 CNCCC(=O)N(C)C 7a_106832991635_100000737620 [0,1,0,0,0,0|2,0,0]=3 2792 B8R0.8 COC=CC(=O)C(C)C 1458a_100016268678_100000210206 [0,1,0,0,0,0|1,0,2]=4 2793 B8R0.8 COCCC(=O)C(C)C 1458a_100000210198_100000233755 [0,1,0,0,0,0|1,0,0]=2 2794 B8R0.8 COCCC(=O)C(C)C 1458a_100000749529_100000210206 [0,1,0,0,0,0|1,0,0]=2 2795 B8R0.8 COCCC(=O)C(C)F 1458a_100000062450_100000233755 [0,1,0,0,0,0|1,0,0]=2 2796 B8R0.8 COCCC(=O)C(O)O 1458a_100000233687_100000233755 [0,1,0,0,0,0|2,0,0]=3 2797 B8R0.8 COCCC(=O)N(C)C 11a_100102631434_100000749529 [0,1,0,0,0,0|2,0,0]=3 2798 B8R0.8 COCCC(=O)N(C)C 1626a_100102631434_100000749529 [0,1,0,0,0,0|2,0,0]=3 2799 B8R0.8 COCCC(=O)N(C)C 240690a_100102631434_100000749529 [0,1,0,0,0,0|2,0,0]=3 2800 B8R0.8 COCCC(=O)N(C)C 34a_200000747469_200000210301 [0,1,0,0,0,0|2,0,0]=3 2801 B8R0.8 COCCC(=O)N(C)C 527a_100102631434_100000749529 [0,1,0,0,0,0|2,0,0]=3 2802 B8R0.8 COCCC(=O)[C@@H](C)O 1458a_100000717761_100000233755 [0,1,0,0,0,0|1,0,0]=2 2803 B8R0.8 COCCC(=O)[C@H](C)O 1458a_217856618621_100000233755 [0,1,0,0,0,0|1,0,0]=2 2804 B8R0.8 COCCC(N)C(C)C 34a_100161115045_200000210301 [0,1,0,0,0,0|2,0,1]=4 2805 B8R0.8 COCCN(C)C(C)C 2230a_100000743101_100000210206 [0,1,0,0,0,0|3,0,0]=4 2806 B8R0.8 COCCN(C)C(C)C 2230a_200000223778_200000210301 [0,1,0,0,0,0|3,0,0]=4 2807 B8R0.8 COCCN(C)C(C)C 269982a_100000743101_100000210206 [0,1,0,0,0,0|3,0,0]=4 2808 B8R0.8 COCCN(C)C(C)C 269982a_200000211004_100000233755 [0,1,0,0,0,0|3,0,0]=4 2809 B8R0.8 COCCN(C)C(C)C 269982a_200000223778_200000210301 [0,1,0,0,0,0|3,0,0]=4 2810 B8R0.8 COCCN([13CH3])C(C)C 2230a_200000223778_200025704644 [0,1,0,0,0,0|3,0,0]=4 2811 B8R0.8 COCCN([13CH3])C(C)C 269982a_200000223778_200025704644 [0,1,0,0,0,0|3,0,0]=4 2812 B8R0.8 CSCCC(=O)C(C)C 1458a_100000174002_100000210206 [0,1,0,0,0,0|1,0,0]=2 2813 B8R0.8 CSCCC(=O)C(C)C 1458a_100000210198_100000751147 [0,1,0,0,0,0|1,0,0]=2 2814 B8R0.8 CSCCC(=O)C(C)F 1458a_100000062450_100000751147 [0,1,0,0,0,0|1,0,0]=2 2815 B8R0.8 CSCCC(=O)C(O)O 1458a_100000233687_100000751147 [0,1,0,0,0,0|2,0,0]=3 2816 B8R0.8 CSCCC(=O)N(C)C 11a_100102631434_100000174002 [0,1,0,0,0,0|2,0,0]=3 2817 B8R0.8 CSCCC(=O)N(C)C 1626a_100102631434_100000174002 [0,1,0,0,0,0|2,0,0]=3 2818 B8R0.8 CSCCC(=O)N(C)C 240690a_100102631434_100000174002 [0,1,0,0,0,0|2,0,0]=3 2819 B8R0.8 CSCCC(=O)N(C)C 527a_100102631434_100000174002 [0,1,0,0,0,0|2,0,0]=3 2820 B8R0.8 CSCCC(=O)N(C)C 62a_100000737620_200000210301 [0,1,0,0,0,0|2,0,0]=3 2821 B8R0.8 CSCCC(=O)N(C)C 62a_200000210301_100000737620 [0,1,0,0,0,0|2,0,0]=3 2822 B8R0.8 CSCCC(=O)[C@@H](C)O 1458a_100000717761_100000751147 [0,1,0,0,0,0|1,0,0]=2 2823 B8R0.8 CSCCC(=O)[C@H](C)O 1458a_217856618621_100000751147 [0,1,0,0,0,0|1,0,0]=2 2824 B8R0.8 CSCCN(C)C(C)C 2230a_100000686725_100000210206 [0,1,0,0,0,0|3,0,0]=4 2825 B8R0.8 CSCCN(C)C(C)C 269982a_100000686725_100000210206 [0,1,0,0,0,0|3,0,0]=4 2826 B8R0.8 CSCCN(C)C(C)C 269982a_200000211004_100000212216 [0,1,0,0,0,0|3,0,0]=4 2827 B8R0.8 CSCOC(=O)C(C)C 62a_100000139345_200000210301 [0,1,0,0,0,0|2,0,0]=3 2828 B8R0.8 CSCOC(=O)C(C)C 62a_200000210301_100000139345 [0,1,0,0,0,0|2,0,0]=3 2829 B8R0.8 C[C@@H](O)C(=O)CCC#N 1458a_100000717761_100011215226 [0,1,0,0,0,0|1,0,1]=3 2830 B8R0.8 C[C@@H](O)C(=O)CCCF 1458a_100000717761_100011934791 [0,1,0,0,0,0|1,0,0]=2 2831 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [0,1,0,0,0,0|1,0,0]=2 2832 B8R0.8 C[C@@H](O)C(=O)NCCF 240690a_100000724931_100000717761 [0,1,0,0,0,0|2,0,0]=3 2833 B8R0.8 C[C@@H](O)C(=O)NCCO 240690a_100000210304_100000717761 [0,1,0,0,0,0|2,0,0]=3 2834 B8R0.8 C[C@H](O)C(=O)CCC#N 1458a_217856618621_100011215226 [0,1,0,0,0,0|1,0,1]=3 2835 B8R0.8 C[C@H](O)C(=O)CCCF 1458a_217856618621_100011934791 [0,1,0,0,0,0|1,0,0]=2 2836 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [0,1,0,0,0,0|1,0,0]=2 2837 B8R0.8 C[C@H](O)C(=O)NCC#N 1626a_100000734998_217856618621 [0,1,0,0,0,0|2,0,1]=4 2838 B8R0.8 C[C@H](O)C(=O)NCCF 1626a_100000724931_217856618621 [0,1,0,0,0,0|2,0,0]=3 2839 B8R0.8 C[C@H](O)C(=O)NCCF 240690a_100000724931_217856618621 [0,1,0,0,0,0|2,0,0]=3 2840 B8R0.8 C[C@H](O)C(=O)NCCO 240690a_100000210304_217856618621 [0,1,0,0,0,0|2,0,0]=3 2841 B8R0.8 N#CCCC(=O)C(O)O 1458a_100000233687_100011215226 [0,1,0,0,0,0|2,0,1]=4 2842 B8R0.8 O=C(CCCF)C(O)O 1458a_100000233687_100011934791 [0,1,0,0,0,0|2,0,0]=3 2843 B8R0.8 O=C(CCCO)C(O)O 1458a_100000233687_100011215043 [0,1,0,0,0,0|2,0,0]=3 2844 B8R0.8 O=C(NCCF)C(F)F 11a_100000724931_100000210393 [0,1,0,0,0,0|3,0,0]=4 2845 B8R0.8 O=C(NCCF)C(F)F 1626a_100000724931_100000210393 [0,1,0,0,0,0|3,0,0]=4 2846 B8R0.8 O=C(NCCF)C(F)F 240690a_100000724931_100000210393 [0,1,0,0,0,0|3,0,0]=4 2847 B8R0.8 O=C(NCCF)C(F)F 527a_100000724931_100000210393 [0,1,0,0,0,0|3,0,0]=4 2848 B8R0.8 O=C(NCCF)C(O)O 240690a_100000724931_100000233687 [0,1,0,0,0,0|3,0,0]=4 2849 B8R0.8 O=C(NCCO)C(F)F 240690a_100000210304_100000210393 [0,1,0,0,0,0|3,0,0]=4 2850 B8R0.8 O=C(NCCO)C(F)F 527a_100000210304_100000210393 [0,1,0,0,0,0|3,0,0]=4 2851 B8R0.8 O=C(NCCO)C(O)O 240690a_100000210304_100000233687 [0,1,0,0,0,0|3,0,0]=4 2852 B8R0.9 C#CC(=O)CCC(=C)C 1458a_100000211873_100000730704 [0,1,0,0,0,0|0,0,3]=4 2853 B8R0.9 C#CC(=O)CCC(C)C 1458a_100000211873_100000210312 [0,1,0,0,0,0|0,0,2]=3 2854 B8R0.9 C#CC(=O)CCC(C)O 1458a_100000211873_100012276601 [0,1,0,0,0,0|0,0,2]=3 2855 B8R0.9 C=C(C)CCC(=O)CC 1458a_100000210414_100000730704 [0,1,0,0,0,0|0,0,1]=2 2856 B8R0.9 C=C(C)CCC(=O)CC 1458a_200000688413_100000210202 [0,1,0,0,0,0|0,0,1]=2 2857 B8R0.9 C=C(C)CCC(=O)CF 1458a_200000688413_100015361967 [0,1,0,0,0,0|1,0,1]=3 2858 B8R0.9 C=C(C)CCC(=O)CO 1458a_100000210174_100000730704 [0,1,0,0,0,0|1,0,1]=3 2859 B8R0.9 C=C(C)CCC(=O)NC 11a_106832991635_200000688413 [0,1,0,0,0,0|1,0,1]=3 2860 B8R0.9 C=C(C)CCC(=O)NC 1626a_100102657272_200000688413 [0,1,0,0,0,0|1,0,1]=3 2861 B8R0.9 C=C(C)CCC(=O)NC 240690a_100102657272_200000688413 [0,1,0,0,0,0|1,0,1]=3 2862 B8R0.9 C=C(C)CCC(=O)NC 527a_100102657272_200000688413 [0,1,0,0,0,0|1,0,1]=3 2863 B8R0.9 C=C(C)CCN(C)CC 2230a_100000225621_100000730704 [0,1,0,0,0,0|2,0,1]=4 2864 B8R0.9 C=C(C)CCN(C)CC 269982a_100000225621_100000730704 [0,1,0,0,0,0|2,0,1]=4 2865 B8R0.9 C=C(C)CNC(=O)CC 11a_100000765925_100000210414 [0,1,0,0,0,0|1,0,1]=3 2866 B8R0.9 C=C(C)CNC(=O)CC 1626a_100000765925_100000210414 [0,1,0,0,0,0|1,0,1]=3 2867 B8R0.9 C=C(C)CNC(=O)CC 240690a_100000765925_100000210414 [0,1,0,0,0,0|1,0,1]=3 2868 B8R0.9 C=C(C)CNC(=O)CC 527a_100000765925_100000210414 [0,1,0,0,0,0|1,0,1]=3 2869 B8R0.9 C=C(C)CNC(=O)CO 240690a_100000765925_100000210174 [0,1,0,0,0,0|2,0,1]=4 2870 B8R0.9 C=C(C)CNC(=O)CO 527a_100000765925_100000210174 [0,1,0,0,0,0|2,0,1]=4 2871 B8R0.9 C=C(C)CNC(=O)NC 2708a_100000765925_106832991635 [0,1,0,0,0,0|2,0,1]=4 2872 B8R0.9 C=C(C)CNC(=O)NC 2708a_100102657272_100000765925 [0,1,0,0,0,0|2,0,1]=4 2873 B8R0.9 C=C(C)CNC(=O)NC 273464a_100000765925_100102657272 [0,1,0,0,0,0|2,0,1]=4 2874 B8R0.9 C=C(C)CNC(=O)NC 273464a_100102657272_100000765925 [0,1,0,0,0,0|2,0,1]=4 2875 B8R0.9 C=C(C)CNC(=O)NC 512a_100000765925_100102657272 [0,1,0,0,0,0|2,0,1]=4 2876 B8R0.9 C=C(C)CNC(=O)NC 512a_106832991638_100000765925 [0,1,0,0,0,0|2,0,1]=4 2877 B8R0.9 C=CC(=O)CCC(=C)C 1458a_100000185746_100000730704 [0,1,0,0,0,0|0,0,3]=4 2878 B8R0.9 C=CC(=O)CCC(C)C 1458a_100000185746_100000210312 [0,1,0,0,0,0|0,0,2]=3 2879 B8R0.9 C=CC(=O)CCC(C)O 1458a_100000185746_100012276601 [0,1,0,0,0,0|0,0,2]=3 2880 B8R0.9 C=CC(=O)NCC(C)C 1626a_100000210953_100000185746 [0,1,0,0,0,0|1,0,2]=4 2881 B8R0.9 C=CC(=O)NCC(C)C 240690a_100000210953_200121576911 [0,1,0,0,0,0|1,0,2]=4 2882 B8R0.9 C=CC(=O)NCC(C)O 240690a_100000210904_200121576911 [0,1,0,0,0,0|1,0,2]=4 2883 B8R0.9 CC(=CCC(=O)CF)C 1458a_100011220947_100015361967 [0,1,0,0,0,0|1,0,2]=4 2884 B8R0.9 CC(=CCC(=O)CO)C 1458a_100000210174_100000761012 [0,1,0,0,0,0|1,0,2]=4 2885 B8R0.9 CC(=O)NCC(=O)CF 1458a_100000194580_100015361967 [0,1,0,0,0,0|2,0,1]=4 2886 B8R0.9 CC(=O)OCC(=O)CF 1458a_100000183556_100015361967 [0,1,0,0,0,0|2,0,1]=4 2887 B8R0.9 CC(=O)SCC(=O)CF 1458a_100000049016_100015361967 [0,1,0,0,0,0|2,0,1]=4 2888 B8R0.9 CC(C)C=CC(=O)CF 1458a_100016268746_100015361967 [0,1,0,0,0,0|1,0,2]=4 2889 B8R0.9 CC(C)CCC(=O)CF 1458a_100000181311_100015361967 [0,1,0,0,0,0|1,0,0]=2 2890 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [0,1,0,0,0,0|1,0,0]=2 2891 B8R0.9 CC(C)CCC(C)N[13CH3] 2230a_100138410893_200025704644 [0,1,0,0,0,0|2,0,1]=4 2892 B8R0.9 CC(C)CCC(C)O[13CH3] 34a_100011215350_200025704644 [0,1,0,0,0,0|2,0,1]=4 2893 B8R0.9 CC(C)CCC(C)O[13CH3] 7a_100011215350_200025704644 [0,1,0,0,0,0|2,0,1]=4 2894 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_100011261404_200025704644 [0,1,0,0,0,0|2,0,1]=4 2895 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_200025704644_100011261404 [0,1,0,0,0,0|2,0,1]=4 2896 B8R0.9 CC(C)CCN(C)CF 269982a_100000742789_100015361967 [0,1,0,0,0,0|3,0,0]=4 2897 B8R0.9 CC(C)CNC(=O)CO 240690a_100000210953_100000210174 [0,1,0,0,0,0|2,0,0]=3 2898 B8R0.9 CC(C)CNC(=O)CO 527a_100000210953_100000210174 [0,1,0,0,0,0|2,0,0]=3 2899 B8R0.9 CC(C)NNC(=O)CO 22a_100000741168_100000210174 [0,1,0,0,0,0|3,0,0]=4 2900 B8R0.9 CC(C)OCC(=O)CF 1458a_100000745533_100015361967 [0,1,0,0,0,0|2,0,0]=3 2901 B8R0.9 CC(C)SCC(=O)CF 1458a_100000241585_100015361967 [0,1,0,0,0,0|2,0,0]=3 2902 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [0,1,0,0,0,0|1,0,0]=2 2903 B8R0.9 CC(O)CNC(=O)CO 240690a_100000210904_100000210174 [0,1,0,0,0,0|2,0,0]=3 2904 B8R0.9 CC(O)CNC(=O)CO 527a_100000210904_100000210174 [0,1,0,0,0,0|2,0,0]=3 2905 B8R0.9 CCC(=O)C=CC(C)C 1458a_100016268746_100000210202 [0,1,0,0,0,0|0,0,2]=3 2906 B8R0.9 CCC(=O)CC=C(C)C 1458a_100000210414_100000761012 [0,1,0,0,0,0|0,0,2]=3 2907 B8R0.9 CCC(=O)CC=C(C)C 1458a_100011220947_100000210202 [0,1,0,0,0,0|0,0,2]=3 2908 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [0,1,0,0,0,0|1,0,1]=3 2909 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [0,1,0,0,0,0|0,0,0]=1 2910 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [0,1,0,0,0,0|0,0,0]=1 2911 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [0,1,0,0,0,0|0,0,0]=1 2912 B8R0.9 CCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210202 [0,1,0,0,0,0|2,0,0]=3 2913 B8R0.9 CCC(=O)CC[S+](C)C 1458a_100009452791_100000210202 [0,1,0,0,0,0|1,0,0]=2 2914 B8R0.9 CCC(=O)CNC(=O)C 1458a_100000194580_100000210202 [0,1,0,0,0,0|1,0,1]=3 2915 B8R0.9 CCC(=O)CNC(=O)N 1458a_100000184981_100000210202 [0,1,0,0,0,0|2,0,1]=4 2916 B8R0.9 CCC(=O)COC(=O)C 1458a_100000183556_100000210202 [0,1,0,0,0,0|1,0,1]=3 2917 B8R0.9 CCC(=O)COC(C)C 1458a_100000745533_100000210202 [0,1,0,0,0,0|1,0,0]=2 2918 B8R0.9 CCC(=O)COC(C)C 34a_100000725409_100000210206 [0,1,0,0,0,0|1,0,0]=2 2919 B8R0.9 CCC(=O)COC(F)F 1458a_200000719455_100000210202 [0,1,0,0,0,0|2,0,0]=3 2920 B8R0.9 CCC(=O)CSC(=O)C 1458a_100000049016_100000210202 [0,1,0,0,0,0|1,0,1]=3 2921 B8R0.9 CCC(=O)CSC(C)C 1458a_100000241585_100000210202 [0,1,0,0,0,0|1,0,0]=2 2922 B8R0.9 CCC(=O)CSC(C)C 62a_100000210206_100000747405 [0,1,0,0,0,0|1,0,0]=2 2923 B8R0.9 CCC(=O)CSC(C)C 62a_100000747405_100000210206 [0,1,0,0,0,0|1,0,0]=2 2924 B8R0.9 CCC(=O)CSC(F)F 1458a_114828291038_100000210202 [0,1,0,0,0,0|2,0,0]=3 2925 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [0,1,0,0,0,0|1,0,1]=3 2926 B8R0.9 CCC(=O)NCC(=O)N 11a_100000711301_100000210414 [0,1,0,0,0,0|2,0,1]=4 2927 B8R0.9 CCC(=O)NCC(=O)N 240690a_100000711301_100000210414 [0,1,0,0,0,0|2,0,1]=4 2928 B8R0.9 CCC(=O)NCC(=O)N 527a_100000711301_100000210414 [0,1,0,0,0,0|2,0,1]=4 2929 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [0,1,0,0,0,0|1,0,1]=3 2930 B8R0.9 CCC(=O)NCC(C)C 11a_100000210953_100000210414 [0,1,0,0,0,0|1,0,0]=2 2931 B8R0.9 CCC(=O)NCC(C)C 1626a_100000210953_100000210414 [0,1,0,0,0,0|1,0,0]=2 2932 B8R0.9 CCC(=O)NCC(C)C 240690a_100000210953_100000210414 [0,1,0,0,0,0|1,0,0]=2 2933 B8R0.9 CCC(=O)NCC(C)C 527a_100000210953_100000210414 [0,1,0,0,0,0|1,0,0]=2 2934 B8R0.9 CCC(=O)NCC(C)O 11a_100000210904_100000210414 [0,1,0,0,0,0|1,0,0]=2 2935 B8R0.9 CCC(=O)NCC(C)O 240690a_100000210904_100000210414 [0,1,0,0,0,0|1,0,0]=2 2936 B8R0.9 CCC(=O)NCC(C)O 527a_100000210904_100000210414 [0,1,0,0,0,0|1,0,0]=2 2937 B8R0.9 CCC(=O)NCC(F)F 11a_100000765723_100000210414 [0,1,0,0,0,0|2,0,0]=3 2938 B8R0.9 CCC(=O)NCC(F)F 1626a_100000765723_100000210414 [0,1,0,0,0,0|2,0,0]=3 2939 B8R0.9 CCC(=O)NCC(F)F 240690a_100000765723_100000210414 [0,1,0,0,0,0|2,0,0]=3 2940 B8R0.9 CCC(=O)NCC(F)F 527a_100000765723_100000210414 [0,1,0,0,0,0|2,0,0]=3 2941 B8R0.9 CCC(=O)NNC(=O)C 22a_100000183195_100000070787 [0,1,0,0,0,0|2,0,1]=4 2942 B8R0.9 CCC(=O)NNC(=O)C 22a_100000189765_100000210414 [0,1,0,0,0,0|2,0,1]=4 2943 B8R0.9 CCC(=O)NNC(C)C 22a_100000741168_100000210414 [0,1,0,0,0,0|2,0,0]=3 2944 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [0,1,0,0,0,0|1,0,2]=4 2945 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [0,1,0,0,0,0|1,0,2]=4 2946 B8R0.9 CCC(C)CNC(C)C 2230a_100020588543_100000210206 [0,1,0,0,0,0|2,0,1]=4 2947 B8R0.9 CCC(C)CNC(C)C 2230a_100138425928_100000748023 [0,1,0,0,0,0|2,0,1]=4 2948 B8R0.9 CCC(C)CNC(C)C 34a_100138425928_100000748023 [0,1,0,0,0,0|2,0,1]=4 2949 B8R0.9 CCC(C)COC(C)C 34a_100000212225_100000748023 [0,1,0,0,0,0|2,0,1]=4 2950 B8R0.9 CCC(C)CSC(C)C 62a_100000210206_100000748023 [0,1,0,0,0,0|2,0,1]=4 2951 B8R0.9 CCC(C)CSC(C)C 62a_100000748023_100000210206 [0,1,0,0,0,0|2,0,1]=4 2952 B8R0.9 CCC(C)NCC(C)C 2230a_100000209981_100000210760 [0,1,0,0,0,0|2,0,1]=4 2953 B8R0.9 CCC(C)NCC(C)C 2230a_100000210953_100000758301 [0,1,0,0,0,0|2,0,1]=4 2954 B8R0.9 CCC(C)NCC(C)C 270004a_100000209981_100000210432 [0,1,0,0,0,0|2,0,1]=4 2955 B8R0.9 CCC(C)NCC(C)C 34a_100000210953_100011215416 [0,1,0,0,0,0|2,0,1]=4 2956 B8R0.9 CCC(C)NCC(C)O 2230a_100000209981_100011218427 [0,1,0,0,0,0|2,0,1]=4 2957 B8R0.9 CCC(C)NCC(C)O 2230a_100000210904_100000758301 [0,1,0,0,0,0|2,0,1]=4 2958 B8R0.9 CCC(C)NCC(C)O 34a_100000210904_100011215416 [0,1,0,0,0,0|2,0,1]=4 2959 B8R0.9 CCC(C)NC[C@@H](C)O 2230a_100000209981_100009817552 [0,1,0,0,0,0|2,0,1]=4 2960 B8R0.9 CCC(C)OCC(C)Br 34a_100012180447_100011215416 [0,1,0,0,0,0|2,0,1]=4 2961 B8R0.9 CCC(C)OCC(C)C 34a_100000210257_100011215416 [0,1,0,0,0,0|2,0,1]=4 2962 B8R0.9 CCC(C)OCC(C)C 7a_100000210228_100000210760 [0,1,0,0,0,0|2,0,1]=4 2963 B8R0.9 CCC(C)OCC(C)F 34a_100015925927_100011215416 [0,1,0,0,0,0|2,0,1]=4 2964 B8R0.9 CCC(C)OCC(C)O 7a_100000210228_100011218427 [0,1,0,0,0,0|2,0,1]=4 2965 B8R0.9 CCC(C)OC[C@@H](C)Cl 34a_100016084084_100011215416 [0,1,0,0,0,0|2,0,1]=4 2966 B8R0.9 CCC(C)OC[C@@H](C)N 34a_100000737577_100011215416 [0,1,0,0,0,0|2,0,1]=4 2967 B8R0.9 CCC(C)OC[C@@H](C)O 7a_100000210228_100009817552 [0,1,0,0,0,0|2,0,1]=4 2968 B8R0.9 CCC(C)SCC(C)C 62a_100000210624_100000758301 [0,1,0,0,0,0|2,0,1]=4 2969 B8R0.9 CCC(C)SCC(C)C 62a_100000758301_100000210760 [0,1,0,0,0,0|2,0,1]=4 2970 B8R0.9 CCC(C)SCC(C)O 62a_100000758301_100011218427 [0,1,0,0,0,0|2,0,1]=4 2971 B8R0.9 CCC(C)SCC(C)O 62a_100011218427_100000758301 [0,1,0,0,0,0|2,0,1]=4 2972 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100000758301_100009817552 [0,1,0,0,0,0|2,0,1]=4 2973 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100009817552_100000758301 [0,1,0,0,0,0|2,0,1]=4 2974 B8R0.9 CCC(O)CNC(C)C 2230a_100011218483_100000210206 [0,1,0,0,0,0|1,0,2]=4 2975 B8R0.9 CCC(O)CNC(C)C 2230a_100138425928_100011218378 [0,1,0,0,0,0|1,0,2]=4 2976 B8R0.9 CCC(O)CNC(C)C 34a_100138425928_100011218378 [0,1,0,0,0,0|1,0,2]=4 2977 B8R0.9 CCC(O)COC(C)C 34a_100000212225_100011218378 [0,1,0,0,0,0|1,0,2]=4 2978 B8R0.9 CCC(O)CSC(C)C 62a_100000210206_100011218378 [0,1,0,0,0,0|1,0,2]=4 2979 B8R0.9 CCC(O)CSC(C)C 62a_100011218378_100000210206 [0,1,0,0,0,0|1,0,2]=4 2980 B8R0.9 CCN(C)CCC(=O)C 1458a_100000755305_200000210301 [0,1,0,0,0,0|2,0,1]=4 2981 B8R0.9 CCN(C)CCC(=O)C 269982a_100000225621_100000053229 [0,1,0,0,0,0|2,0,1]=4 2982 B8R0.9 CCN(C)CCC(=O)[13CH3] 1458a_100000755305_200025704644 [0,1,0,0,0,0|2,0,1]=4 2983 B8R0.9 CCN(C)CCC(C)C 2230a_100000207693_200000210301 [0,1,0,0,0,0|2,0,0]=3 2984 B8R0.9 CCN(C)CCC(C)C 2230a_100000225621_100000210312 [0,1,0,0,0,0|2,0,0]=3 2985 B8R0.9 CCN(C)CCC(C)C 2230a_100000742789_100000210202 [0,1,0,0,0,0|2,0,0]=3 2986 B8R0.9 CCN(C)CCC(C)C 269982a_100000207693_200000210301 [0,1,0,0,0,0|2,0,0]=3 2987 B8R0.9 CCN(C)CCC(C)C 269982a_100000225621_100000210312 [0,1,0,0,0,0|2,0,0]=3 2988 B8R0.9 CCN(C)CCC(C)C 269982a_100000742789_100000204670 [0,1,0,0,0,0|2,0,0]=3 2989 B8R0.9 CCN(C)CCC(C)O 2230a_100000225621_100012276601 [0,1,0,0,0,0|2,0,0]=3 2990 B8R0.9 CCN(C)CCC(C)O 269982a_100000225621_100012276601 [0,1,0,0,0,0|2,0,0]=3 2991 B8R0.9 CCN(C)CCN(C)C 269982a_100000225618_100000204670 [0,1,0,0,0,0|3,0,0]=4 2992 B8R0.9 CCN(C)CCN(C)C 269982a_100000225621_100000755713 [0,1,0,0,0,0|3,0,0]=4 2993 B8R0.9 CCN(C)CCN(C)C 269982a_100000225870_200000210301 [0,1,0,0,0,0|3,0,0]=4 2994 B8R0.9 CCN(C)COC(C)C 2230a_100000225621_100000709892 [0,1,0,0,0,0|3,0,0]=4 2995 B8R0.9 CCN(C)COC(C)C 269982a_100000225621_100000709892 [0,1,0,0,0,0|3,0,0]=4 2996 B8R0.9 CCN([13CH3])CCC(C)C 2230a_100000207693_200025704644 [0,1,0,0,0,0|2,0,0]=3 2997 B8R0.9 CCN([13CH3])CCC(C)C 269982a_100000207693_200025704644 [0,1,0,0,0,0|2,0,0]=3 2998 B8R0.9 CCN([13CH3])CCN(C)C 269982a_100000225870_200025704644 [0,1,0,0,0,0|3,0,0]=4 2999 B8R0.9 CCS(=O)CCC(=O)C 1458a_100011387550_200000210301 [0,1,0,0,0,0|1,0,1]=3 3000 B8R0.9 CCS(=O)CCC(=O)[13CH3] 1458a_100011387550_200025704644 [0,1,0,0,0,0|1,0,1]=3 3001 B8R0.9 CC[C@H](C)CNC(C)C 2230a_100138425928_100009816398 [0,1,0,0,0,0|2,0,1]=4 3002 B8R0.9 CC[C@H](C)CNC(C)C 34a_100138425928_100009816398 [0,1,0,0,0,0|2,0,1]=4 3003 B8R0.9 CC[C@H](C)COC(C)C 34a_100000212225_100009816398 [0,1,0,0,0,0|2,0,1]=4 3004 B8R0.9 CC[C@H](C)COC(C)C 7a_100009816381_100000210206 [0,1,0,0,0,0|2,0,1]=4 3005 B8R0.9 CC[C@H](C)CSC(C)C 62a_100000210206_100009816398 [0,1,0,0,0,0|2,0,1]=4 3006 B8R0.9 CC[C@H](C)CSC(C)C 62a_100009816398_100000210206 [0,1,0,0,0,0|2,0,1]=4 3007 B8R0.9 CNC(=O)C=CC(C)C 11a_106832991635_100016268746 [0,1,0,0,0,0|1,0,2]=4 3008 B8R0.9 CNC(=O)C=CC(C)C 1626a_100102657272_100016268746 [0,1,0,0,0,0|1,0,2]=4 3009 B8R0.9 CNC(=O)C=CC(C)C 240690a_100102657272_100016268746 [0,1,0,0,0,0|1,0,2]=4 3010 B8R0.9 CNC(=O)CC=C(C)C 11a_106832991635_100011220947 [0,1,0,0,0,0|1,0,2]=4 3011 B8R0.9 CNC(=O)CC=C(C)C 1626a_100102657272_100011220947 [0,1,0,0,0,0|1,0,2]=4 3012 B8R0.9 CNC(=O)CC=C(C)C 240690a_100102657272_100011220947 [0,1,0,0,0,0|1,0,2]=4 3013 B8R0.9 CNC(=O)CC=C(C)C 527a_100102657272_100011220947 [0,1,0,0,0,0|1,0,2]=4 3014 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [0,1,0,0,0,0|1,0,1]=3 3015 B8R0.9 CNC(=O)CCC(=O)N 240690a_100102657272_100011215257 [0,1,0,0,0,0|2,0,1]=4 3016 B8R0.9 CNC(=O)CCC(=O)N 527a_100102657272_100011215257 [0,1,0,0,0,0|2,0,1]=4 3017 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [0,1,0,0,0,0|1,0,1]=3 3018 B8R0.9 CNC(=O)CCC(C)C 11a_106832991635_100000181311 [0,1,0,0,0,0|1,0,0]=2 3019 B8R0.9 CNC(=O)CCC(C)C 1626a_100102657272_100000181311 [0,1,0,0,0,0|1,0,0]=2 3020 B8R0.9 CNC(=O)CCC(C)C 240690a_100102657272_100000181311 [0,1,0,0,0,0|1,0,0]=2 3021 B8R0.9 CNC(=O)CCC(C)C 527a_100102657272_100000181311 [0,1,0,0,0,0|1,0,0]=2 3022 B8R0.9 CNC(=O)CCC(C)O 1626a_100102657272_100000718519 [0,1,0,0,0,0|1,0,0]=2 3023 B8R0.9 CNC(=O)CCN(C)C 11a_106832991635_100000689311 [0,1,0,0,0,0|2,0,0]=3 3024 B8R0.9 CNC(=O)CCN(C)C 2230a_100000750875_200000210301 [0,1,0,0,0,0|2,0,0]=3 3025 B8R0.9 CNC(=O)CCN(C)C 2230a_100102631434_100000737683 [0,1,0,0,0,0|2,0,0]=3 3026 B8R0.9 CNC(=O)CCN(C)C 240690a_100102657272_100000689311 [0,1,0,0,0,0|2,0,0]=3 3027 B8R0.9 CNC(=O)CCN(C)C 269982a_100000750875_200000210301 [0,1,0,0,0,0|2,0,0]=3 3028 B8R0.9 CNC(=O)CCN(C)C 269982a_100102631434_100000737683 [0,1,0,0,0,0|2,0,0]=3 3029 B8R0.9 CNC(=O)CCN(C)C 527a_100102657272_100000689311 [0,1,0,0,0,0|2,0,0]=3 3030 B8R0.9 CNC(=O)CCN(C)[13CH3] 2230a_100000750875_200025704644 [0,1,0,0,0,0|2,0,0]=3 3031 B8R0.9 CNC(=O)CCN(C)[13CH3] 269982a_100000750875_200025704644 [0,1,0,0,0,0|2,0,0]=3 3032 B8R0.9 CNC(=O)CC[N+](=O)[O-] 11a_106832991635_200000064761 [0,1,0,0,0,0|3,0,0]=4 3033 B8R0.9 CNC(=O)CC[N+](=O)[O-] 1626a_100102657272_200000064761 [0,1,0,0,0,0|3,0,0]=4 3034 B8R0.9 CNC(=O)CC[N+](=O)[O-] 240690a_100102657272_200000064761 [0,1,0,0,0,0|3,0,0]=4 3035 B8R0.9 CNC(=O)CC[S+](C)C 11a_106832991635_100009452791 [0,1,0,0,0,0|2,0,0]=3 3036 B8R0.9 CNC(=O)CC[S+](C)C 1626a_100102657272_100009452791 [0,1,0,0,0,0|2,0,0]=3 3037 B8R0.9 CNC(=O)CC[S+](C)C 240690a_100102657272_100009452791 [0,1,0,0,0,0|2,0,0]=3 3038 B8R0.9 CNC(=O)CNC(=O)C 11a_100000693194_100015343762 [0,1,0,0,0,0|2,0,1]=4 3039 B8R0.9 CNC(=O)CNC(=O)C 11a_106832991635_100000194580 [0,1,0,0,0,0|2,0,1]=4 3040 B8R0.9 CNC(=O)CNC(=O)C 1626a_100102657272_100000194580 [0,1,0,0,0,0|2,0,1]=4 3041 B8R0.9 CNC(=O)CNC(=O)C 240690a_100000693194_100015343762 [0,1,0,0,0,0|2,0,1]=4 3042 B8R0.9 CNC(=O)CNC(=O)C 240690a_100102657272_100000194580 [0,1,0,0,0,0|2,0,1]=4 3043 B8R0.9 CNC(=O)CNC(=O)C 527a_100000693194_100103153847 [0,1,0,0,0,0|2,0,1]=4 3044 B8R0.9 CNC(=O)CNC(=O)C 527a_100102657272_100000194580 [0,1,0,0,0,0|2,0,1]=4 3045 B8R0.9 CNC(=O)CNC(C)C 2230a_100000693194_100000210206 [0,1,0,0,0,0|2,0,0]=3 3046 B8R0.9 CNC(=O)CNC(C)C 2230a_100138425928_100000183359 [0,1,0,0,0,0|2,0,0]=3 3047 B8R0.9 CNC(=O)CNC(C)C 34a_100138425928_100000183359 [0,1,0,0,0,0|2,0,0]=3 3048 B8R0.9 CNC(=O)COC(=O)C 1626a_100102657272_100000183556 [0,1,0,0,0,0|2,0,1]=4 3049 B8R0.9 CNC(=O)COC(=O)C 240690a_100102657272_100000183556 [0,1,0,0,0,0|2,0,1]=4 3050 B8R0.9 CNC(=O)COC(=O)C 527a_100102657272_100000183556 [0,1,0,0,0,0|2,0,1]=4 3051 B8R0.9 CNC(=O)COC(C)C 11a_106832991635_100000745533 [0,1,0,0,0,0|2,0,0]=3 3052 B8R0.9 CNC(=O)COC(C)C 1626a_100102657272_100000745533 [0,1,0,0,0,0|2,0,0]=3 3053 B8R0.9 CNC(=O)COC(C)C 240690a_100102657272_100000745533 [0,1,0,0,0,0|2,0,0]=3 3054 B8R0.9 CNC(=O)COC(C)C 34a_100000212225_100000183359 [0,1,0,0,0,0|2,0,0]=3 3055 B8R0.9 CNC(=O)COC(C)C 34a_100000750040_100000210206 [0,1,0,0,0,0|2,0,0]=3 3056 B8R0.9 CNC(=O)COC(C)C 527a_100102657272_100000745533 [0,1,0,0,0,0|2,0,0]=3 3057 B8R0.9 CNC(=O)COC(F)F 11a_106832991635_200000719455 [0,1,0,0,0,0|3,0,0]=4 3058 B8R0.9 CNC(=O)COC(F)F 1626a_100102657272_200000719455 [0,1,0,0,0,0|3,0,0]=4 3059 B8R0.9 CNC(=O)COC(F)F 240690a_100102657272_200000719455 [0,1,0,0,0,0|3,0,0]=4 3060 B8R0.9 CNC(=O)COC(F)F 527a_100102657272_200000719455 [0,1,0,0,0,0|3,0,0]=4 3061 B8R0.9 CNC(=O)CSC(=O)C 11a_106832991635_100000049016 [0,1,0,0,0,0|2,0,1]=4 3062 B8R0.9 CNC(=O)CSC(=O)C 1626a_100102657272_100000049016 [0,1,0,0,0,0|2,0,1]=4 3063 B8R0.9 CNC(=O)CSC(=O)C 240690a_100102657272_100000049016 [0,1,0,0,0,0|2,0,1]=4 3064 B8R0.9 CNC(=O)CSC(C)C 11a_106832991635_100000241585 [0,1,0,0,0,0|2,0,0]=3 3065 B8R0.9 CNC(=O)CSC(C)C 1626a_100102657272_100000241585 [0,1,0,0,0,0|2,0,0]=3 3066 B8R0.9 CNC(=O)CSC(C)C 240690a_100102657272_100000241585 [0,1,0,0,0,0|2,0,0]=3 3067 B8R0.9 CNC(=O)CSC(C)C 527a_100102657272_100000241585 [0,1,0,0,0,0|2,0,0]=3 3068 B8R0.9 CNC(=O)CSC(C)C 62a_100000183359_100000210206 [0,1,0,0,0,0|2,0,0]=3 3069 B8R0.9 CNC(=O)CSC(C)C 62a_100000210206_100000183359 [0,1,0,0,0,0|2,0,0]=3 3070 B8R0.9 CNC(=O)CSC(F)F 11a_106832991635_114828291038 [0,1,0,0,0,0|3,0,0]=4 3071 B8R0.9 CNC(=O)CSC(F)F 1626a_100102657272_114828291038 [0,1,0,0,0,0|3,0,0]=4 3072 B8R0.9 CNC(=O)CSC(F)F 240690a_100102657272_114828291038 [0,1,0,0,0,0|3,0,0]=4 3073 B8R0.9 CNC(=O)CSC(F)F 527a_100102657272_114828291038 [0,1,0,0,0,0|3,0,0]=4 3074 B8R0.9 CNC(=O)NCC(C)C 2708a_100000210953_106832991635 [0,1,0,0,0,0|2,0,0]=3 3075 B8R0.9 CNC(=O)NCC(C)C 2708a_100102657272_100000210953 [0,1,0,0,0,0|2,0,0]=3 3076 B8R0.9 CNC(=O)NCC(C)C 273464a_100000210953_100102657272 [0,1,0,0,0,0|2,0,0]=3 3077 B8R0.9 CNC(=O)NCC(C)C 273464a_100102657272_100000210953 [0,1,0,0,0,0|2,0,0]=3 3078 B8R0.9 CNC(=O)NCC(C)C 512a_100000210953_100102657272 [0,1,0,0,0,0|2,0,0]=3 3079 B8R0.9 CNC(=O)NCC(C)C 512a_106832991638_100000210953 [0,1,0,0,0,0|2,0,0]=3 3080 B8R0.9 CNC(=O)NCC(C)O 2708a_100102657272_100000210904 [0,1,0,0,0,0|2,0,0]=3 3081 B8R0.9 CNC(=O)NCC(C)O 273464a_100000210904_100102657272 [0,1,0,0,0,0|2,0,0]=3 3082 B8R0.9 CNC(=O)NCC(C)O 273464a_100102657272_100000210904 [0,1,0,0,0,0|2,0,0]=3 3083 B8R0.9 CNC(=O)NCC(C)O 512a_100000210904_100102657272 [0,1,0,0,0,0|2,0,0]=3 3084 B8R0.9 CNC(=O)NCC(C)O 512a_106832991638_100000210904 [0,1,0,0,0,0|2,0,0]=3 3085 B8R0.9 CNC(=O)NCC(F)F 2708a_100102657272_100000765723 [0,1,0,0,0,0|3,0,0]=4 3086 B8R0.9 CNC(=O)NCC(F)F 273464a_100000765723_100102657272 [0,1,0,0,0,0|3,0,0]=4 3087 B8R0.9 CNC(=O)NCC(F)F 273464a_100102657272_100000765723 [0,1,0,0,0,0|3,0,0]=4 3088 B8R0.9 CNC(=O)NCC(F)F 512a_100000765723_100102657272 [0,1,0,0,0,0|3,0,0]=4 3089 B8R0.9 CNC(=O)NCC(F)F 512a_106832991638_100000765723 [0,1,0,0,0,0|3,0,0]=4 3090 B8R0.9 CNC(=O)NNC(C)C 273464a_100102657272_100000741168 [0,1,0,0,0,0|3,0,0]=4 3091 B8R0.9 CNC(=O)NNC(C)C 512a_100000741168_100102657272 [0,1,0,0,0,0|3,0,0]=4 3092 B8R0.9 CNC(=O)NNC(C)C 512a_106832991638_100000741168 [0,1,0,0,0,0|3,0,0]=4 3093 B8R0.9 CNC(C)CCC(C)C 2230a_100138410893_200000210301 [0,1,0,0,0,0|2,0,1]=4 3094 B8R0.9 CNC(C)CCC(C)C 2230a_106832991635_100011261404 [0,1,0,0,0,0|2,0,1]=4 3095 B8R0.9 CNC(C)CCC(C)C 270004a_106832991635_100000210476 [0,1,0,0,0,0|2,0,1]=4 3096 B8R0.9 CNC(C)CCC(C)C 34a_100102657272_100011261404 [0,1,0,0,0,0|2,0,1]=4 3097 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [0,1,0,0,0,0|1,0,1]=3 3098 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [0,1,0,0,0,0|1,0,1]=3 3099 B8R0.9 COC(=O)CCN(C)C 2230a_100102631434_100000204255 [0,1,0,0,0,0|2,0,0]=3 3100 B8R0.9 COC(=O)CCN(C)C 269982a_100025711912_200000210301 [0,1,0,0,0,0|2,0,0]=3 3101 B8R0.9 COC(=O)CCN(C)C 269982a_100102631434_100000204255 [0,1,0,0,0,0|2,0,0]=3 3102 B8R0.9 COC(=O)CCN(C)[13CH3] 269982a_100025711912_200025704644 [0,1,0,0,0,0|2,0,0]=3 3103 B8R0.9 COC(=O)CNC(=O)C 188690a_100000185156_100015343762 [0,1,0,0,0,0|2,0,1]=4 3104 B8R0.9 COC(=O)CNC(C)C 2230a_100138425928_100000747449 [0,1,0,0,0,0|2,0,0]=3 3105 B8R0.9 COC(=O)CNC(C)C 34a_100138425928_100000747449 [0,1,0,0,0,0|2,0,0]=3 3106 B8R0.9 COC(=O)COC(C)C 34a_100000212225_100000747449 [0,1,0,0,0,0|2,0,0]=3 3107 B8R0.9 COC(=O)CSC(C)C 62a_100000210206_100000747449 [0,1,0,0,0,0|2,0,0]=3 3108 B8R0.9 COC(=O)CSC(C)C 62a_100000747449_100000210206 [0,1,0,0,0,0|2,0,0]=3 3109 B8R0.9 COC(=O)NCC(=O)C 1458a_100000215747_200000210301 [0,1,0,0,0,0|2,0,1]=4 3110 B8R0.9 COC(=O)NCC(=O)[13CH3] 1458a_100000215747_200025704644 [0,1,0,0,0,0|2,0,1]=4 3111 B8R0.9 COC(C)CCC(C)C 34a_100011215350_200000210301 [0,1,0,0,0,0|2,0,1]=4 3112 B8R0.9 COC(C)CCC(C)C 34a_100138415774_100011261404 [0,1,0,0,0,0|2,0,1]=4 3113 B8R0.9 COC(C)CCC(C)C 7a_100011215350_200000210301 [0,1,0,0,0,0|2,0,1]=4 3114 B8R0.9 CSC(C)CCC(C)C 62a_100011261404_200000210301 [0,1,0,0,0,0|2,0,1]=4 3115 B8R0.9 CSC(C)CCC(C)C 62a_200000210301_100011261404 [0,1,0,0,0,0|2,0,1]=4 3116 B8R0.9 C[S+](C)CCC(=O)CF 1458a_100009452791_100015361967 [0,1,0,0,0,0|2,0,0]=3 3117 B8R0.9 NC(=O)CCC(=O)CF 1458a_100011215257_100015361967 [0,1,0,0,0,0|2,0,1]=4 3118 B8R0.9 O=C(CF)CC[N+](=O)[O-] 1458a_200000064761_100015361967 [0,1,0,0,0,0|3,0,0]=4 3119 B8R0.9 O=C(CF)COC(F)F 1458a_200000719455_100015361967 [0,1,0,0,0,0|3,0,0]=4 3120 B8R0.9 O=C(CF)CSC(F)F 1458a_114828291038_100015361967 [0,1,0,0,0,0|3,0,0]=4 3121 B8R0.9 O=C(CO)NCC(F)F 240690a_100000765723_100000210174 [0,1,0,0,0,0|3,0,0]=4 3122 B8R0.9 O=C(CO)NCC(F)F 527a_100000765723_100000210174 [0,1,0,0,0,0|3,0,0]=4 3123 B8R0.11 C#CC(CC)OCCC 34a_100000758843_100000210303 [0,1,0,0,0,0|2,0,1]=4 3124 B8R0.11 C#CC(CC)OCCC 7a_100000758843_100000210303 [0,1,0,0,0,0|2,0,1]=4 3125 B8R0.11 C#CC(CCCC)OC 34a_200011217967_200000210301 [0,1,0,0,0,0|2,0,1]=4 3126 B8R0.11 C#CC(CCCC)OC 7a_200011217967_200000210301 [0,1,0,0,0,0|2,0,1]=4 3127 B8R0.11 C#CC(CCCC)O[13CH3] 34a_200011217967_200025704644 [0,1,0,0,0,0|2,0,1]=4 3128 B8R0.11 C#CC(CCCC)O[13CH3] 7a_200011217967_200025704644 [0,1,0,0,0,0|2,0,1]=4 3129 B8R0.11 C=CC(=NNCC)CC 4a_100000756455_100000747743 [0,1,0,0,0,0|3,0,0]=4 3130 B8R0.11 C=CC(CC)OCCC 34a_100000766422_100000210303 [0,1,0,0,0,0|2,0,1]=4 3131 B8R0.11 C=CC(CC)OCCC 7a_100000766422_100000210303 [0,1,0,0,0,0|2,0,1]=4 3132 B8R0.11 C=CC(CCCC)OC 34a_200011215037_200000210301 [0,1,0,0,0,0|2,0,1]=4 3133 B8R0.11 C=CC(CCCC)OC 7a_200011215037_200000210301 [0,1,0,0,0,0|2,0,1]=4 3134 B8R0.11 C=CC(CCCC)O[13CH3] 34a_200011215037_200025704644 [0,1,0,0,0,0|2,0,1]=4 3135 B8R0.11 C=CC(CCCC)O[13CH3] 7a_200011215037_200025704644 [0,1,0,0,0,0|2,0,1]=4 3136 B8R0.11 CCCCC(CC)NC 270004a_106832991635_100000753412 [0,1,0,0,0,0|1,0,1]=3 3137 B8R0.11 CCCCC(CC)NC 34a_100102657272_200011216223 [0,1,0,0,0,0|1,0,1]=3 3138 B8R0.11 CCCCC(CC)NC 7a_106832991635_200011216223 [0,1,0,0,0,0|1,0,1]=3 3139 B8R0.11 CCCCC(CC)OC 34a_100011215227_200000210301 [0,1,0,0,0,0|0,0,2]=3 3140 B8R0.11 CCCCC(CC)OC 34a_100138415774_200011216223 [0,1,0,0,0,0|0,0,2]=3 3141 B8R0.11 CCCCC(CC)OC 7a_100011215227_200000210301 [0,1,0,0,0,0|0,0,2]=3 3142 B8R0.11 CCCCC(CC)O[13CH3] 34a_100011215227_200025704644 [0,1,0,0,0,0|0,0,2]=3 3143 B8R0.11 CCCCC(CC)O[13CH3] 7a_100011215227_200025704644 [0,1,0,0,0,0|0,0,2]=3 3144 B8R0.11 CCCCC(CC)SC 62a_200000210301_200011216223 [0,1,0,0,0,0|0,1,1]=3 3145 B8R0.11 CCCCC(CC)SC 62a_200011216223_200000210301 [0,1,0,0,0,0|0,1,1]=3 3146 B8R0.11 CCCCC(CC)S[13CH3] 62a_200011216223_200025704644 [0,1,0,0,0,0|0,1,1]=3 3147 B8R0.11 CCCCC(CC)S[13CH3] 62a_200025704644_200011216223 [0,1,0,0,0,0|0,1,1]=3 3148 B8R0.11 CCCCN(CC)CC 2230a_100000207695_100000210202 [0,1,0,0,0,0|2,0,0]=3 3149 B8R0.11 CCCCN(CC)CC 2230a_100000724800_100000210211 [0,1,0,0,0,0|2,0,0]=3 3150 B8R0.11 CCCCN(CC)CC 269956a_100000042499_100000210211 [0,1,0,0,0,0|2,0,0]=3 3151 B8R0.11 CCCCN(CC)CC 269982a_100000207695_100000204670 [0,1,0,0,0,0|2,0,0]=3 3152 B8R0.11 CCCCN(CC)CC 269982a_100000724800_100000210211 [0,1,0,0,0,0|2,0,0]=3 3153 B8R0.11 CCCCN(CC)CF 269982a_100000207695_100015361967 [0,1,0,0,0,0|2,0,0]=3 3154 B8R0.11 CCCC[C@@H](CO)NC 2230a_100011934283_200000210301 [0,1,0,0,0,0|1,0,2]=4 3155 B8R0.11 CCCC[C@@H](CO)NC 34a_100011934283_200000210301 [0,1,0,0,0,0|1,0,2]=4 3156 B8R0.11 CCCC[C@@H](CO)N[13CH3] 2230a_100011934283_200025704644 [0,1,0,0,0,0|1,0,2]=4 3157 B8R0.11 CCCC[C@@H](CO)N[13CH3] 34a_100011934283_200025704644 [0,1,0,0,0,0|1,0,2]=4 3158 B8R0.11 CCCNC(CC)CC 2230a_100000199018_100000210303 [0,1,0,0,0,0|2,0,1]=4 3159 B8R0.11 CCCNC(CC)CC 270004a_100020643023_100000210860 [0,1,0,0,0,0|2,0,1]=4 3160 B8R0.11 CCCN[C@@H](CC)CO 2230a_100000709445_100000210303 [0,1,0,0,0,0|1,0,2]=4 3161 B8R0.11 CCCOC(CC)CC 7a_100000688536_100000210303 [0,1,0,0,0,0|2,0,1]=4 3162 B8R0.11 CCCSC(CC)CC 62a_100000210303_100000210505 [0,1,0,0,0,0|2,0,1]=4 3163 B8R0.11 CCCSC(CC)CC 62a_100000210505_100000210303 [0,1,0,0,0,0|2,0,1]=4 3164 B8R0.11 CCN(CC)CCCF 2230a_100000724800_100011934791 [0,1,0,0,0,0|3,0,0]=4 3165 B8R0.11 CCN(CC)CCCF 269956a_100000042499_100011934791 [0,1,0,0,0,0|3,0,0]=4 3166 B8R0.11 CCN(CC)CCCF 269982a_100000724800_100011934791 [0,1,0,0,0,0|3,0,0]=4 3167 B8R0.11 CCN(CC)CCCO 2230a_100000724800_100000230001 [0,1,0,0,0,0|3,0,0]=4 3168 B8R0.11 CCN(CC)CCCO 269956a_100000042499_100011215043 [0,1,0,0,0,0|3,0,0]=4 3169 B8R0.11 CCN(CC)CCCO 269982a_100000724800_100011215043 [0,1,0,0,0,0|3,0,0]=4 3170 B8R0.11 CCN(CC)CCNC 2230a_100015382049_200000210301 [0,1,0,0,0,0|3,0,0]=4 3171 B8R0.11 CCN(CC)CCNC 2230a_106832991635_100000700428 [0,1,0,0,0,0|3,0,0]=4 3172 B8R0.11 CCN(CC)CCNC 7a_106832991635_100000700428 [0,1,0,0,0,0|3,0,0]=4 3173 B8R0.11 CCN(CC)CCN[13CH3] 2230a_100015382049_200025704644 [0,1,0,0,0,0|3,0,0]=4 3174 B8R0.11 CCN(CC)CCOC 2230a_100000724800_100011201679 [0,1,0,0,0,0|3,0,0]=4 3175 B8R0.11 CCN(CC)CCOC 2230a_100000731262_100000210202 [0,1,0,0,0,0|3,0,0]=4 3176 B8R0.11 CCN(CC)CCOC 269956a_100000042499_100000233755 [0,1,0,0,0,0|3,0,0]=4 3177 B8R0.11 CCN(CC)CCOC 269982a_100000724800_100000233755 [0,1,0,0,0,0|3,0,0]=4 3178 B8R0.11 CCN(CC)CCOC 269982a_100000731262_100000204670 [0,1,0,0,0,0|3,0,0]=4 3179 B8R0.11 CCN(CC)CCOC 7a_100016990331_200000210301 [0,1,0,0,0,0|3,0,0]=4 3180 B8R0.11 CCN(CC)CCO[13CH3] 7a_100016990331_200025704644 [0,1,0,0,0,0|3,0,0]=4 3181 B8R0.11 CCN(CC)CCSC 2230a_100000724800_100000751147 [0,1,0,0,0,0|3,0,0]=4 3182 B8R0.11 CCN(CC)CCSC 269956a_100000042499_100000212216 [0,1,0,0,0,0|3,0,0]=4 3183 B8R0.11 CCN(CC)CCSC 269982a_100000724800_100000212216 [0,1,0,0,0,0|3,0,0]=4 3184 B8R0.11 CCN(CC)CCSC 62a_200000210301_100000700428 [0,1,0,0,0,0|3,0,0]=4 3185 B8R0.11 CCN(CC)CCS[13CH3] 62a_200025704644_100000700428 [0,1,0,0,0,0|3,0,0]=4 3186 B8R0.11 CCN(CF)CCOC 269982a_100000731262_100015361967 [0,1,0,0,0,0|3,0,0]=4 3187 B8R0.11 CCNCC(CC)CC 2230a_100015525214_100011215472 [0,1,0,0,0,0|2,0,1]=4 3188 B8R0.11 CCNCC(CC)CC 2230a_100102946423_100000210202 [0,1,0,0,0,0|2,0,1]=4 3189 B8R0.11 CCNCC(CC)CC 269862a_100015525214_100000211137 [0,1,0,0,0,0|2,0,1]=4 3190 B8R0.11 CCNCC(CC)CC 270004a_100015525214_100000211137 [0,1,0,0,0,0|2,0,1]=4 3191 B8R0.11 CCNN=C(CC)CC 4a_100000756455_100000210860 [0,1,0,0,0,0|3,0,0]=4 3192 B8R0.11 CCNN=C(CC)CO 4a_100000756455_100000725409 [0,1,0,0,0,0|2,0,1]=4 3193 B8R0.11 CCOCC(CC)CC 34a_100121572206_100011215472 [0,1,0,0,0,0|2,0,1]=4 3194 B8R0.11 CCOCC(CC)CC 7a_100000703878_100000210202 [0,1,0,0,0,0|2,0,1]=4 3195 B8R0.11 CCOCC(CC)OC 34a_100011934954_100000210202 [0,1,0,0,0,0|1,0,2]=4 3196 B8R0.11 CCOCC(CC)OC 7a_100011934954_100000210202 [0,1,0,0,0,0|1,0,2]=4 3197 B8R0.11 CCOCN(CC)CC 269956a_100000042499_100000739092 [0,1,0,0,0,0|3,0,0]=4 3198 B8R0.11 CCOCN(CC)CC 269982a_100000724800_100000739092 [0,1,0,0,0,0|3,0,0]=4 3199 B8R0.11 CCOCN(CC)CC 7a_200015374951_100000210202 [0,1,0,0,0,0|3,0,0]=4 3200 B8R0.11 CCSCC(CC)CC 62a_100000210202_100011215472 [0,1,0,0,0,0|2,0,1]=4 3201 B8R0.11 CCSCC(CC)CC 62a_100011215472_100000210202 [0,1,0,0,0,0|2,0,1]=4 3202 B8R0.19 C#CC(=O)CC(=O)CC 1458a_100000211873_100000747405 [0,1,0,0,0,0|0,0,3]=4 3203 B8R0.19 C#CC(=O)CC(C)CC 1458a_100000211873_100000748023 [0,1,0,0,0,0|0,0,2]=3 3204 B8R0.19 C#CC(=O)CC(O)CC 1458a_100000211873_100011218378 [0,1,0,0,0,0|0,0,2]=3 3205 B8R0.19 C#CC(=O)C[C@@H](C)CC 1458a_100000211873_100009816398 [0,1,0,0,0,0|0,0,2]=3 3206 B8R0.19 C#CC(=O)C[C@@H](C)CO 1458a_100000211873_100000059175 [0,1,0,0,0,0|1,0,2]=4 3207 B8R0.19 C#CC(C)NC(=O)CC 11a_100000707721_100000210414 [0,1,0,0,0,0|1,0,2]=4 3208 B8R0.19 C#CC(C)NC(=O)CC 1626a_100000707721_100000210414 [0,1,0,0,0,0|1,0,2]=4 3209 B8R0.19 C#CC(C)NC(=O)CC 240690a_100000707721_100000210414 [0,1,0,0,0,0|1,0,2]=4 3210 B8R0.19 C#CC(C)NC(=O)CC 527a_100000707721_100000210414 [0,1,0,0,0,0|1,0,2]=4 3211 B8R0.19 C=C(C#N)CC(=O)CC 1458a_100000210414_100000694840 [0,1,0,0,0,0|1,0,2]=4 3212 B8R0.19 C=CC(=O)CC(=O)CC 1458a_100000185746_100000747405 [0,1,0,0,0,0|0,0,3]=4 3213 B8R0.19 C=CC(=O)CC(C)CC 1458a_100000185746_100000748023 [0,1,0,0,0,0|0,0,2]=3 3214 B8R0.19 C=CC(=O)CC(O)CC 1458a_100000185746_100011218378 [0,1,0,0,0,0|0,0,2]=3 3215 B8R0.19 C=CC(=O)C[C@@H](C)CC 1458a_100000185746_100009816398 [0,1,0,0,0,0|0,0,2]=3 3216 B8R0.19 C=CC(=O)C[C@@H](C)CO 1458a_100000185746_100000059175 [0,1,0,0,0,0|1,0,2]=4 3217 B8R0.19 C=CC(=O)NC(C)CC 1626a_100000209981_100000185746 [0,1,0,0,0,0|1,0,2]=4 3218 B8R0.19 C=CC(=O)NC(C)CC 240690a_100000209981_200121576911 [0,1,0,0,0,0|1,0,2]=4 3219 B8R0.19 C=CC(C)CC(=O)CC 1458a_100011934298_100000210202 [0,1,0,0,0,0|0,0,2]=3 3220 B8R0.19 C=CC(C)CC(=O)CF 1458a_100011934298_100015361967 [0,1,0,0,0,0|1,0,2]=4 3221 B8R0.19 C=CC(C)CC(=O)NC 11a_106832991635_100011934298 [0,1,0,0,0,0|1,0,2]=4 3222 B8R0.19 C=CC(C)CC(=O)NC 1626a_100102657272_100011934298 [0,1,0,0,0,0|1,0,2]=4 3223 B8R0.19 C=CC(C)CC(=O)NC 240690a_100102657272_100011934298 [0,1,0,0,0,0|1,0,2]=4 3224 B8R0.19 C=CC(C)CC(=O)NC 527a_100102657272_100011934298 [0,1,0,0,0,0|1,0,2]=4 3225 B8R0.19 CCC(=CC(=O)CF)C 1458a_100020758463_100015361967 [0,1,0,0,0,0|1,0,2]=4 3226 B8R0.19 CCC(=CC(=O)NC)C 11a_106832991635_100020758463 [0,1,0,0,0,0|1,0,2]=4 3227 B8R0.19 CCC(=CC(=O)NC)C 1626a_100102657272_100020758463 [0,1,0,0,0,0|1,0,2]=4 3228 B8R0.19 CCC(=CC(=O)NC)C 240690a_100102657272_100020758463 [0,1,0,0,0,0|1,0,2]=4 3229 B8R0.19 CCC(=O)C=C(C)CC 1458a_100020758463_100000210202 [0,1,0,0,0,0|0,0,2]=3 3230 B8R0.19 CCC(=O)CC(=O)CC 1458a_100000210414_100000747405 [0,1,0,0,0,0|0,0,1]=2 3231 B8R0.19 CCC(=O)CC(=O)CO 1458a_100000210174_100000747405 [0,1,0,0,0,0|1,0,1]=3 3232 B8R0.19 CCC(=O)CC(=O)NC 1458a_100000210414_100000183359 [0,1,0,0,0,0|1,0,1]=3 3233 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000210414_100000747449 [0,1,0,0,0,0|1,0,1]=3 3234 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000211351_100000210202 [0,1,0,0,0,0|1,0,1]=3 3235 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [0,1,0,0,0,0|0,0,0]=1 3236 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [0,1,0,0,0,0|0,0,0]=1 3237 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [0,1,0,0,0,0|0,0,0]=1 3238 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [0,1,0,0,0,0|0,0,0]=1 3239 B8R0.19 CCC(=O)CN(C)CC 1458a_100116209913_100000210202 [0,1,0,0,0,0|1,0,0]=2 3240 B8R0.19 CCC(=O)CN(C)CC 269982a_100000225621_100000747405 [0,1,0,0,0,0|1,0,0]=2 3241 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [0,1,0,0,0,0|0,0,0]=1 3242 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [0,1,0,0,0,0|1,0,0]=2 3243 B8R0.19 CCC(=O)NC(C)C#N 11a_100000737613_100000210414 [0,1,0,0,0,0|2,0,1]=4 3244 B8R0.19 CCC(=O)NC(C)C#N 1626a_100000737613_100000210414 [0,1,0,0,0,0|2,0,1]=4 3245 B8R0.19 CCC(=O)NC(C)C#N 527a_100000737613_100000210414 [0,1,0,0,0,0|2,0,1]=4 3246 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [0,1,0,0,0,0|1,0,0]=2 3247 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [0,1,0,0,0,0|1,0,0]=2 3248 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [0,1,0,0,0,0|1,0,0]=2 3249 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [0,1,0,0,0,0|1,0,0]=2 3250 B8R0.19 CCC(=O)N[C@H](C)CF 11a_100102880703_100000210414 [0,1,0,0,0,0|2,0,0]=3 3251 B8R0.19 CCC(=O)N[C@H](C)CF 1626a_100102880703_100000210414 [0,1,0,0,0,0|2,0,0]=3 3252 B8R0.19 CCC(=O)N[C@H](C)CF 240690a_100102880703_100000210414 [0,1,0,0,0,0|2,0,0]=3 3253 B8R0.19 CCC(=O)N[C@H](C)CF 527a_100102880703_100000210414 [0,1,0,0,0,0|2,0,0]=3 3254 B8R0.19 CCC(=O)N[C@H](C)CO 240690a_100000737577_100000210414 [0,1,0,0,0,0|2,0,0]=3 3255 B8R0.19 CCC(=O)N[C@H](C)CO 527a_100000737577_100000210414 [0,1,0,0,0,0|2,0,0]=3 3256 B8R0.19 CCC(C)CC(=O)CF 1458a_100000708755_100015361967 [0,1,0,0,0,0|1,0,0]=2 3257 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [0,1,0,0,0,0|1,0,0]=2 3258 B8R0.19 CCC(C)CC(=O)NC 11a_106832991635_100000708755 [0,1,0,0,0,0|1,0,0]=2 3259 B8R0.19 CCC(C)CC(=O)NC 1626a_100102657272_100000708755 [0,1,0,0,0,0|1,0,0]=2 3260 B8R0.19 CCC(C)CC(=O)NC 240690a_100102657272_100000708755 [0,1,0,0,0,0|1,0,0]=2 3261 B8R0.19 CCC(C)CC(=O)NC 527a_100102657272_100000708755 [0,1,0,0,0,0|1,0,0]=2 3262 B8R0.19 CCC(C)CC(C)NC 2230a_100000763565_200000210301 [0,1,0,0,0,0|2,0,1]=4 3263 B8R0.19 CCC(C)CC(C)NC 270004a_106832991635_100011710205 [0,1,0,0,0,0|2,0,1]=4 3264 B8R0.19 CCC(C)CC(C)N[13CH3] 2230a_100000763565_200025704644 [0,1,0,0,0,0|2,0,1]=4 3265 B8R0.19 CCC(C)CN(C)CC 2230a_100000225621_100000748023 [0,1,0,0,0,0|2,0,0]=3 3266 B8R0.19 CCC(C)CN(C)CC 2230a_100000753921_100000210202 [0,1,0,0,0,0|2,0,0]=3 3267 B8R0.19 CCC(C)CN(C)CC 269982a_100000225621_100000748023 [0,1,0,0,0,0|2,0,0]=3 3268 B8R0.19 CCC(C)CN(C)CC 269982a_100000753921_100000204670 [0,1,0,0,0,0|2,0,0]=3 3269 B8R0.19 CCC(C)CN(C)CF 269982a_100000753921_100015361967 [0,1,0,0,0,0|3,0,0]=4 3270 B8R0.19 CCC(C)NC(=O)CO 240690a_100000209981_100000210174 [0,1,0,0,0,0|2,0,0]=3 3271 B8R0.19 CCC(C)NC(=O)CO 527a_100000209981_100000210174 [0,1,0,0,0,0|2,0,0]=3 3272 B8R0.19 CCC(C)NC(=O)NC 2708a_100000209981_106832991635 [0,1,0,0,0,0|2,0,0]=3 3273 B8R0.19 CCC(C)NC(=O)NC 2708a_100102657272_100000209981 [0,1,0,0,0,0|2,0,0]=3 3274 B8R0.19 CCC(C)NC(=O)NC 273464a_100000209981_100102657272 [0,1,0,0,0,0|2,0,0]=3 3275 B8R0.19 CCC(C)NC(=O)NC 273464a_100102657272_100000209981 [0,1,0,0,0,0|2,0,0]=3 3276 B8R0.19 CCC(C)NC(=O)NC 512a_100000209981_100102657272 [0,1,0,0,0,0|2,0,0]=3 3277 B8R0.19 CCC(C)NC(=O)NC 512a_106832991638_100000209981 [0,1,0,0,0,0|2,0,0]=3 3278 B8R0.19 CCC(C)NC(C)CC 2230a_100000209981_100000758301 [0,1,0,0,0,0|2,0,1]=4 3279 B8R0.19 CCC(C)OC(C)CC 7a_100000210228_100000758301 [0,1,0,0,0,0|2,0,1]=4 3280 B8R0.19 CCC(C)SC(C)CC 62a_100000758301_100000758301 [0,1,0,0,0,0|2,0,1]=4 3281 B8R0.19 CCC(O)CC(=O)CF 1458a_100011667805_100015361967 [0,1,0,0,0,0|1,0,0]=2 3282 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [0,1,0,0,0,0|1,0,0]=2 3283 B8R0.19 CCC(O)CC(=O)NC 1626a_100102657272_100011667805 [0,1,0,0,0,0|1,0,0]=2 3284 B8R0.19 CCC(O)CC(=O)NC 240690a_100102657272_100011667805 [0,1,0,0,0,0|1,0,0]=2 3285 B8R0.19 CCC(O)CN(C)CC 2230a_100000225621_100011218378 [0,1,0,0,0,0|2,0,0]=3 3286 B8R0.19 CCC(O)CN(C)CC 2230a_100011365200_200000210301 [0,1,0,0,0,0|2,0,0]=3 3287 B8R0.19 CCC(O)CN(C)CC 269982a_100000225621_100011218378 [0,1,0,0,0,0|2,0,0]=3 3288 B8R0.19 CCC(O)CN(C)CC 269982a_100011365200_200000210301 [0,1,0,0,0,0|2,0,0]=3 3289 B8R0.19 CCC(O)CN([13CH3])CC 2230a_100011365200_200025704644 [0,1,0,0,0,0|2,0,0]=3 3290 B8R0.19 CCC(O)CN([13CH3])CC 269982a_100011365200_200025704644 [0,1,0,0,0,0|2,0,0]=3 3291 B8R0.19 CCN(C)CC(=O)CF 1458a_100116209913_100015361967 [0,1,0,0,0,0|2,0,0]=3 3292 B8R0.19 CCN(C)CC(=O)NC 2230a_100000189611_100000210202 [0,1,0,0,0,0|2,0,0]=3 3293 B8R0.19 CCN(C)CC(=O)NC 2230a_100000225621_100000183359 [0,1,0,0,0,0|2,0,0]=3 3294 B8R0.19 CCN(C)CC(=O)NC 240690a_100102657272_100116209913 [0,1,0,0,0,0|2,0,0]=3 3295 B8R0.19 CCN(C)CC(=O)NC 269982a_100000225621_100000183359 [0,1,0,0,0,0|2,0,0]=3 3296 B8R0.19 CCN(C)CC(=O)NC 527a_100102657272_100116209913 [0,1,0,0,0,0|2,0,0]=3 3297 B8R0.19 CCN(C)CC(=O)OC 2230a_100000198492_100000210202 [0,1,0,0,0,0|2,0,0]=3 3298 B8R0.19 CCN(C)CC(=O)OC 2230a_100000225621_100000747449 [0,1,0,0,0,0|2,0,0]=3 3299 B8R0.19 CCN(C)CC(=O)OC 269982a_100000225621_100000747449 [0,1,0,0,0,0|2,0,0]=3 3300 B8R0.19 CCN(C)CC(O)CO 2230a_100000225621_100011219619 [0,1,0,0,0,0|3,0,0]=4 3301 B8R0.19 CCN(C)CC(O)CO 2230a_100011216503_100000210202 [0,1,0,0,0,0|3,0,0]=4 3302 B8R0.19 CCN(C)CC(O)CO 269982a_100011216503_100000204670 [0,1,0,0,0,0|3,0,0]=4 3303 B8R0.19 CCN(C)C[C@@H](C)CO 2230a_100000225621_100000059175 [0,1,0,0,0,0|3,0,0]=4 3304 B8R0.19 CCN(C)C[C@@H](C)CO 269982a_100000225621_100000059175 [0,1,0,0,0,0|3,0,0]=4 3305 B8R0.19 CCN(C)C[C@@H](O)CF 2230a_100000225621_100015614560 [0,1,0,0,0,0|3,0,0]=4 3306 B8R0.19 CCN(C)C[C@@H](O)CO 2230a_100000225621_100009815848 [0,1,0,0,0,0|3,0,0]=4 3307 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [0,1,0,0,0,0|1,0,0]=2 3308 B8R0.19 CC[C@H](C)CN(C)CC 2230a_100000225621_100009816398 [0,1,0,0,0,0|2,0,0]=3 3309 B8R0.19 CC[C@H](C)CN(C)CC 269982a_100000225621_100009816398 [0,1,0,0,0,0|2,0,0]=3 3310 B8R0.19 CNC(=O)CC(=O)CO 1458a_100000210174_100000183359 [0,1,0,0,0,0|2,0,1]=4 3311 B8R0.19 CNC(=O)CC(=O)OC 240690a_100102657272_100000211351 [0,1,0,0,0,0|2,0,1]=4 3312 B8R0.19 CNC(=O)N[C@H](C)CF 2708a_100102657272_100102880703 [0,1,0,0,0,0|3,0,0]=4 3313 B8R0.19 CNC(=O)N[C@H](C)CF 273464a_100102657272_100102880703 [0,1,0,0,0,0|3,0,0]=4 3314 B8R0.19 CNC(=O)N[C@H](C)CF 273464a_100102880703_100102657272 [0,1,0,0,0,0|3,0,0]=4 3315 B8R0.19 CNC(=O)N[C@H](C)CF 512a_100102880703_100102657272 [0,1,0,0,0,0|3,0,0]=4 3316 B8R0.19 CNC(=O)N[C@H](C)CF 512a_106832991638_100102880703 [0,1,0,0,0,0|3,0,0]=4 3317 B8R0.19 CNC(=O)N[C@H](C)CO 2708a_100102657272_100000737577 [0,1,0,0,0,0|3,0,0]=4 3318 B8R0.19 CNC(=O)N[C@H](C)CO 273464a_100000737577_100102657272 [0,1,0,0,0,0|3,0,0]=4 3319 B8R0.19 CNC(=O)N[C@H](C)CO 512a_100000737577_100102657272 [0,1,0,0,0,0|3,0,0]=4 3320 B8R0.19 CNC(=O)N[C@H](C)CO 512a_106832991638_100000737577 [0,1,0,0,0,0|3,0,0]=4 3321 B8R0.19 CNC(C)CC(=O)OC 2230a_106832991635_100009817358 [0,1,0,0,0,0|2,0,0]=3 3322 B8R0.19 CNC(C)CC(=O)OC 34a_100102657272_100009817358 [0,1,0,0,0,0|2,0,0]=3 3323 B8R0.19 CNC(C)CC(=O)OC 7a_106832991635_100009817358 [0,1,0,0,0,0|2,0,0]=3 3324 B8R0.19 COC(=O)CC(=O)CF 1458a_100000211351_100015361967 [0,1,0,0,0,0|2,0,1]=4 3325 B8R0.19 COC(=O)CC(=O)CO 1458a_100000210174_100000747449 [0,1,0,0,0,0|2,0,1]=4 3326 B8R0.19 COC(=O)CC(C)OC 34a_100138415774_100009817358 [0,1,0,0,0,0|2,0,0]=3 3327 B8R0.19 COC(=O)CC(C)SC 62a_100009817358_200000210301 [0,1,0,0,0,0|2,0,0]=3 3328 B8R0.19 COC(=O)CC(C)SC 62a_200000210301_100009817358 [0,1,0,0,0,0|2,0,0]=3 3329 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_100009817358_200025704644 [0,1,0,0,0,0|2,0,0]=3 3330 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_200025704644_100009817358 [0,1,0,0,0,0|2,0,0]=3 3331 B8R0.19 C[C@@H](CO)CC(=O)CO 1458a_100000210174_100000059175 [0,1,0,0,0,0|2,0,0]=3 3332 B8R0.19 C[C@H](CF)NC(=O)CO 240690a_100102880703_100000210174 [0,1,0,0,0,0|3,0,0]=4 3333 B8R0.19 C[C@H](CF)NC(=O)CO 527a_100102880703_100000210174 [0,1,0,0,0,0|3,0,0]=4 3334 B8R0.19 C[C@H](CO)NC(=O)CO 240690a_100000737577_100000210174 [0,1,0,0,0,0|3,0,0]=4 3335 B8R0.19 C[C@H](CO)NC(=O)CO 527a_100000737577_100000210174 [0,1,0,0,0,0|3,0,0]=4 3336 B8R0.25 CCCCC(C)(C)OC 7a_100011219641_200000210301 [0,1,0,0,0,0|2,0,1]=4 3337 B8R0.25 CCCCC(C)(C)O[13CH3] 7a_100011219641_200025704644 [0,1,0,0,0,0|2,0,1]=4 3338 B8R0.25 CCCCS(=O)(=O)NC 270084a_100102657272_100000212082 [0,1,0,0,0,0|2,0,0]=3 3339 B8R0.25 CCCCS(=O)(=O)NC 274078a_100102657272_100000212082 [0,1,0,0,0,0|2,0,0]=3 3340 B8R0.25 CCCCS(=O)(=O)NC 40a_100102657272_100000054263 [0,1,0,0,0,0|2,0,0]=3 3341 B8R0.25 CCCNC(C)(C)CC 2230a_100000211385_100000210303 [0,1,0,0,0,0|2,0,1]=4 3342 B8R0.25 CCCNS(=O)(=O)CC 270084a_100020643023_100000211323 [0,1,0,0,0,0|2,0,0]=3 3343 B8R0.25 CCCNS(=O)(=O)CC 274078a_100020643023_100000211323 [0,1,0,0,0,0|2,0,0]=3 3344 B8R0.25 CCCNS(=O)(=O)CC 40a_100020643023_100000053943 [0,1,0,0,0,0|2,0,0]=3 3345 B8R0.25 CCCNS(=O)(=O)CCl 270084a_100020643023_100000031410 [0,1,0,0,0,0|3,0,0]=4 3346 B8R0.25 CCCNS(=O)(=O)CCl 274078a_100020643023_100000031410 [0,1,0,0,0,0|3,0,0]=4 3347 B8R0.25 CCCOC(C)(C)CC 7a_100000210230_100000210303 [0,1,0,0,0,0|2,0,1]=4 3348 B8R0.25 CCCSC(C)(C)CC 62a_100000032637_100000210303 [0,1,0,0,0,0|2,0,1]=4 3349 B8R0.25 CCCSC(C)(C)CC 62a_100000210303_100000032637 [0,1,0,0,0,0|2,0,1]=4 3350 B8R0.25 CCNNS(=O)(=O)CC 40a_100000756455_100000053943 [0,1,0,0,0,0|3,0,0]=4 3351 B8R0.25 CCOCC(C)(C)CC 7a_100000765029_100000210202 [0,1,0,0,0,0|2,0,1]=4 3352 B8R0.25 CCS(=O)(=O)CCNC 2230a_100000751051_200000210301 [0,1,0,0,0,0|2,0,0]=3 3353 B8R0.25 CCS(=O)(=O)CCNC 2230a_106832991635_100000756660 [0,1,0,0,0,0|2,0,0]=3 3354 B8R0.25 CCS(=O)(=O)CCNC 34a_100000751051_200000210301 [0,1,0,0,0,0|2,0,0]=3 3355 B8R0.25 CCS(=O)(=O)CCNC 34a_100102657272_100000756660 [0,1,0,0,0,0|2,0,0]=3 3356 B8R0.25 CCS(=O)(=O)CCNC 7a_106832991635_100000756660 [0,1,0,0,0,0|2,0,0]=3 3357 B8R0.25 CCS(=O)(=O)CCN[13CH3] 2230a_100000751051_200025704644 [0,1,0,0,0,0|2,0,0]=3 3358 B8R0.25 CCS(=O)(=O)CCN[13CH3] 34a_100000751051_200025704644 [0,1,0,0,0,0|2,0,0]=3 3359 B8R0.25 CCS(=O)(=O)CCOC 34a_100138415774_100000756660 [0,1,0,0,0,0|2,0,0]=3 3360 B8R0.25 CCS(=O)(=O)CCOC 34a_200011216379_200000210301 [0,1,0,0,0,0|2,0,0]=3 3361 B8R0.25 CCS(=O)(=O)CCOC 7a_200011216379_200000210301 [0,1,0,0,0,0|2,0,0]=3 3362 B8R0.25 CCS(=O)(=O)CCO[13CH3] 34a_200011216379_200025704644 [0,1,0,0,0,0|2,0,0]=3 3363 B8R0.25 CCS(=O)(=O)CCO[13CH3] 7a_200011216379_200025704644 [0,1,0,0,0,0|2,0,0]=3 3364 B8R0.25 CCS(=O)(=O)CCSC 62a_100000756660_200000210301 [0,1,0,0,0,0|2,0,0]=3 3365 B8R0.25 CCS(=O)(=O)CCSC 62a_200000210301_100000756660 [0,1,0,0,0,0|2,0,0]=3 3366 B8R0.25 CCS(=O)(=O)CCS[13CH3] 62a_100000756660_200025704644 [0,1,0,0,0,0|2,0,0]=3 3367 B8R0.25 CCS(=O)(=O)CCS[13CH3] 62a_200025704644_100000756660 [0,1,0,0,0,0|2,0,0]=3 3368 B8R0.25 CCS(=O)(=O)NCCF 270084a_100000724931_100000211323 [0,1,0,0,0,0|3,0,0]=4 3369 B8R0.25 CCS(=O)(=O)NCCF 274078a_100000724931_100000211323 [0,1,0,0,0,0|3,0,0]=4 3370 B8R0.25 CCS(=O)(=O)NCCF 40a_100000724931_100000053943 [0,1,0,0,0,0|3,0,0]=4 3371 B8R0.25 CCS(=O)(=O)NCCO 270084a_100000210304_100000211323 [0,1,0,0,0,0|3,0,0]=4 3372 B8R0.25 CCS(=O)(=O)NCCO 274078a_100000210304_100000211323 [0,1,0,0,0,0|3,0,0]=4 3373 B8R0.25 CCS(=O)(=O)NCCO 40a_100000210304_100000053943 [0,1,0,0,0,0|3,0,0]=4 3374 B8R0.25 CNCCS(=O)(=O)NC 2230a_100000710037_200000210301 [0,1,0,0,0,0|3,0,0]=4 3375 B8R0.25 CNCCS(=O)(=O)NC 34a_100000710037_200000210301 [0,1,0,0,0,0|3,0,0]=4 3376 B8R0.25 CNS(=O)(=O)CCCCl 270084a_100102657272_100000211827 [0,1,0,0,0,0|3,0,0]=4 3377 B8R0.25 CNS(=O)(=O)CCCF 270084a_100102657272_200000759752 [0,1,0,0,0,0|3,0,0]=4 3378 B8R0.25 CNS(=O)(=O)CCCF 274078a_100102657272_200000759752 [0,1,0,0,0,0|3,0,0]=4 3379 B8R0.25 CNS(=O)(=O)CCN[13CH3] 2230a_100000710037_200025704644 [0,1,0,0,0,0|3,0,0]=4 3380 B8R0.25 CNS(=O)(=O)CCN[13CH3] 34a_100000710037_200025704644 [0,1,0,0,0,0|3,0,0]=4 3381 B8R0.25 CNS(=O)(=O)CCOC 270084a_100102657272_100000745348 [0,1,0,0,0,0|3,0,0]=4 3382 B8R0.25 CNS(=O)(=O)CCOC 274078a_100102657272_100000745348 [0,1,0,0,0,0|3,0,0]=4 3383 B8R1.1 CC1CCC(C1)O[13CH3] 34a_100000698185_200025704644 [0,0,0,1,0,0|2,0,1]=4 3384 B8R1.1 CCN1CCC(C1)O 2230a_100011215560_100000210202 [0,0,0,1,0,0|1,0,2]=4 3385 B8R1.1 CCN1CCC(C1)O 269982a_100011215560_100000204670 [0,0,0,1,0,0|1,0,2]=4 3386 B8R1.1 CCN1CC[C@@H](C1)F 2230a_100015203821_100000210202 [0,0,0,1,0,0|2,0,1]=4 3387 B8R1.1 CCN1CC[C@@H](C1)F 269982a_100015203821_100000204670 [0,0,0,1,0,0|2,0,1]=4 3388 B8R1.1 CCN1CC[C@@H](C1)F 34a_100015203821_100000210202 [0,0,0,1,0,0|2,0,1]=4 3389 B8R1.1 CCN1CC[C@H](C1)C 2230a_100016987628_100000210202 [0,0,0,1,0,0|2,0,0]=3 3390 B8R1.1 CCN1CC[C@H](C1)C 269982a_100016987628_100000204670 [0,0,0,1,0,0|2,0,0]=3 3391 B8R1.1 CCN1CC[C@H](C1)C 34a_100016987628_100000210202 [0,0,0,1,0,0|2,0,0]=3 3392 B8R1.1 CCN1CNC(=O)C1 2230a_200000708111_100000210202 [0,0,0,1,0,0|2,0,0]=3 3393 B8R1.1 CN1CCC(C1)CO 2230a_100000748654_200000210301 [0,0,0,1,0,0|3,0,0]=4 3394 B8R1.1 CN1CCC(C1)CO 269982a_100000748654_200000210301 [0,0,0,1,0,0|3,0,0]=4 3395 B8R1.1 CN1CCC(C1)CO 34a_100000748654_200000210301 [0,0,0,1,0,0|3,0,0]=4 3396 B8R1.1 CN1CCC(C1)S[13CH3] 62a_200025704644_200012183744 [0,0,0,1,0,0|3,0,0]=4 3397 B8R1.1 CNC1CCC(C1)C 270004a_106832991635_100011215218 [0,0,0,1,0,0|2,0,1]=4 3398 B8R1.1 CNC1CCC(C1)O 270004a_106832991635_100012614533 [0,0,0,1,0,0|1,0,2]=4 3399 B8R1.1 CNC1CCN(C1)C 7a_106832991635_200012183744 [0,0,0,1,0,0|3,0,0]=4 3400 B8R1.1 CNC1CNC(=O)C1 2230a_100000697751_200000210301 [0,0,0,1,0,0|2,0,0]=3 3401 B8R1.1 CNC1COC(=O)O1 34a_100102657272_100000032252 [0,0,0,1,0,0|3,0,0]=4 3402 B8R1.1 CN[C@H]1CC[C@H](C1)O 2230a_100015195300_200000210301 [0,0,0,1,0,0|1,0,2]=4 3403 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [0,0,0,1,0,0|1,0,0]=2 3404 B8R1.1 COC1CCC(C1)C 34a_100000698185_200000210301 [0,0,0,1,0,0|2,0,1]=4 3405 B8R1.1 COC1CNC(=O)C1 34a_100000690082_200000210301 [0,0,0,1,0,0|2,0,0]=3 3406 B8R1.1 COC1COC(=O)O1 34a_100138415774_100000032252 [0,0,0,1,0,0|3,0,0]=4 3407 B8R1.1 CO[C@@H]1CCN(C1)C 2230a_100000766984_200000210301 [0,0,0,1,0,0|3,0,0]=4 3408 B8R1.1 CO[C@@H]1CCN(C1)C 269982a_100000766984_200000210301 [0,0,0,1,0,0|3,0,0]=4 3409 B8R1.1 CO[C@@H]1CCN(C1)[13CH3] 2230a_100000766984_200025704644 [0,0,0,1,0,0|3,0,0]=4 3410 B8R1.1 CO[C@@H]1CCN(C1)[13CH3] 269982a_100000766984_200025704644 [0,0,0,1,0,0|3,0,0]=4 3411 B8R1.1 CSC1CCN(C1)C 62a_200000210301_200012183744 [0,0,0,1,0,0|3,0,0]=4 3412 B8R1.1 CSC1COC(=O)O1 62a_200000210301_100000032252 [0,0,0,1,0,0|3,0,0]=4 3413 B8R1.1 C[C@@H]1CCN(C1)CF 269982a_100016987628_100015361967 [0,0,0,1,0,0|3,0,0]=4 3414 B8R1.1 C[C@@H]1CCN(C1)CF 34a_100016987628_100015361967 [0,0,0,1,0,0|3,0,0]=4 3415 B8R1.1 [13CH3]N1CCC(C1)CO 2230a_100000748654_200025704644 [0,0,0,1,0,0|3,0,0]=4 3416 B8R1.1 [13CH3]N1CCC(C1)CO 269982a_100000748654_200025704644 [0,0,0,1,0,0|3,0,0]=4 3417 B8R1.1 [13CH3]N1CCC(C1)CO 34a_100000748654_200025704644 [0,0,0,1,0,0|3,0,0]=4 3418 B8R1.1 [13CH3]NC1CNC(=O)C1 2230a_100000697751_200025704644 [0,0,0,1,0,0|2,0,0]=3 3419 B8R1.1 [13CH3]N[C@H]1CC[C@H](C1)O 2230a_100015195300_200025704644 [0,0,0,1,0,0|1,0,2]=4 3420 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [0,0,0,1,0,0|1,0,0]=2 3421 B8R1.1 [13CH3]OC1CNC(=O)C1 34a_100000690082_200025704644 [0,0,0,1,0,0|2,0,0]=3 3422 B8R1.1 [13CH3]SC1COC(=O)O1 62a_200025704644_100000032252 [0,0,0,1,0,0|3,0,0]=4 3423 B8R1.2 CCN1CCCOC1 2230a_100000131196_100000210202 [0,0,0,1,0,0|3,0,0]=4 3424 B8R1.2 CCN1CCCOC1 269982a_100000131196_100000204670 [0,0,0,1,0,0|3,0,0]=4 3425 B8R1.2 CCN1CCCOC1 34a_100000131196_100000210202 [0,0,0,1,0,0|3,0,0]=4 3426 B8R1.2 CCN1CCOCC1 2230a_100015191051_100000210202 [0,0,0,1,0,0|3,0,0]=4 3427 B8R1.2 CCN1CCOCC1 269982a_100015191051_100000204670 [0,0,0,1,0,0|3,0,0]=4 3428 B8R1.2 CCN1CCOCC1 34a_100015191051_100000210202 [0,0,0,1,0,0|3,0,0]=4 3429 B8R1.2 CCN1CCSCC1 2230a_100000737611_100000210202 [0,0,0,1,0,0|3,0,0]=4 3430 B8R1.2 CCN1CCSCC1 269982a_100000737611_100000204670 [0,0,0,1,0,0|3,0,0]=4 3431 B8R1.2 CNC1CCCCC1 2230a_100000182618_200000210301 [0,0,0,1,0,0|2,0,1]=4 3432 B8R1.2 CNC1CCCCC1 270004a_106832991635_100000210434 [0,0,0,1,0,0|2,0,1]=4 3433 B8R1.2 CNC1CCCCC1 34a_100000182618_200000210301 [0,0,0,1,0,0|2,0,1]=4 3434 B8R1.2 CNC1CCCCC1 34a_100102657272_100000210327 [0,0,0,1,0,0|2,0,1]=4 3435 B8R1.2 CNC1CCCCC1 7a_106832991635_100000210327 [0,0,0,1,0,0|2,0,1]=4 3436 B8R1.2 COC1CCCCC1 34a_100000210231_200000210301 [0,0,0,1,0,0|2,0,1]=4 3437 B8R1.2 COC1CCCCC1 34a_100138415774_100000210327 [0,0,0,1,0,0|2,0,1]=4 3438 B8R1.2 COC1CCCCC1 7a_100000210231_200000210301 [0,0,0,1,0,0|2,0,1]=4 3439 B8R1.2 COC1CCCCO1 34a_100000033831_200000210301 [0,0,0,1,0,0|1,0,2]=4 3440 B8R1.2 CSC1CCCCC1 62a_100000210327_200000210301 [0,0,0,1,0,0|2,0,1]=4 3441 B8R1.2 CSC1CCCCC1 62a_200000210301_100000210327 [0,0,0,1,0,0|2,0,1]=4 3442 B8R1.2 [13CH3]NC1CCCCC1 2230a_100000182618_200025704644 [0,0,0,1,0,0|2,0,1]=4 3443 B8R1.2 [13CH3]NC1CCCCC1 34a_100000182618_200025704644 [0,0,0,1,0,0|2,0,1]=4 3444 B8R1.2 [13CH3]OC1CCCCC1 34a_100000210231_200025704644 [0,0,0,1,0,0|2,0,1]=4 3445 B8R1.2 [13CH3]OC1CCCCC1 7a_100000210231_200025704644 [0,0,0,1,0,0|2,0,1]=4 3446 B8R1.2 [13CH3]OC1CCCCO1 34a_100000033831_200025704644 [0,0,0,1,0,0|1,0,2]=4 3447 B8R1.2 [13CH3]SC1CCCCC1 62a_100000210327_200025704644 [0,0,0,1,0,0|2,0,1]=4 3448 B8R1.2 [13CH3]SC1CCCCC1 62a_200025704644_100000210327 [0,0,0,1,0,0|2,0,1]=4 3449 B8R1.3 C=C1CCN(CC1)C 2230a_100000752442_200000210301 [0,0,0,1,0,0|2,0,0]=3 3450 B8R1.3 C=C1CCN(CC1)C 269982a_100000752442_200000210301 [0,0,0,1,0,0|2,0,0]=3 3451 B8R1.3 C=C1CCN(CC1)C 34a_100000752442_200000210301 [0,0,0,1,0,0|2,0,0]=3 3452 B8R1.3 C=C1CCN(CC1)[13CH3] 2230a_100000752442_200025704644 [0,0,0,1,0,0|2,0,0]=3 3453 B8R1.3 C=C1CCN(CC1)[13CH3] 269982a_100000752442_200025704644 [0,0,0,1,0,0|2,0,0]=3 3454 B8R1.3 C=C1CCN(CC1)[13CH3] 34a_100000752442_200025704644 [0,0,0,1,0,0|2,0,0]=3 3455 B8R1.3 CC1=CCN(CC1)C 2230a_100000693516_200000210301 [0,0,0,1,0,0|2,0,1]=4 3456 B8R1.3 CC1=CCN(CC1)C 269982a_100000693516_200000210301 [0,0,0,1,0,0|2,0,1]=4 3457 B8R1.3 CC1=CCN(CC1)C 34a_100000693516_200000210301 [0,0,0,1,0,0|2,0,1]=4 3458 B8R1.3 CC1=CCN(CC1)[13CH3] 2230a_100000693516_200025704644 [0,0,0,1,0,0|2,0,1]=4 3459 B8R1.3 CC1=CCN(CC1)[13CH3] 269982a_100000693516_200025704644 [0,0,0,1,0,0|2,0,1]=4 3460 B8R1.3 CC1=CCN(CC1)[13CH3] 34a_100000693516_200025704644 [0,0,0,1,0,0|2,0,1]=4 3461 B8R1.3 CC1CCN(CC1)C 2230a_100000188429_200000210301 [0,0,0,1,0,0|2,0,0]=3 3462 B8R1.3 CC1CCN(CC1)C 269982a_100000188429_200000210301 [0,0,0,1,0,0|2,0,0]=3 3463 B8R1.3 CC1CCN(CC1)C 34a_100000188429_200000210301 [0,0,0,1,0,0|2,0,0]=3 3464 B8R1.3 CC1CCN(CC1)[13CH3] 2230a_100000188429_200025704644 [0,0,0,1,0,0|2,0,0]=3 3465 B8R1.3 CC1CCN(CC1)[13CH3] 269982a_100000188429_200025704644 [0,0,0,1,0,0|2,0,0]=3 3466 B8R1.3 CC1CCN(CC1)[13CH3] 34a_100000188429_200025704644 [0,0,0,1,0,0|2,0,0]=3 3467 B8R1.3 CN1CCC(CC1)F 2230a_100015193889_200000210301 [0,0,0,1,0,0|2,0,1]=4 3468 B8R1.3 CN1CCC(CC1)F 269982a_100015193889_200000210301 [0,0,0,1,0,0|2,0,1]=4 3469 B8R1.3 CN1CCC(CC1)F 34a_100015193889_200000210301 [0,0,0,1,0,0|2,0,1]=4 3470 B8R1.3 CN1CCC(CC1)O 2230a_100025773856_200000210301 [0,0,0,1,0,0|1,0,2]=4 3471 B8R1.3 CN1CCC(CC1)O 269982a_100025773856_200000210301 [0,0,0,1,0,0|1,0,2]=4 3472 B8R1.3 CN1CCN(CC1)C 2230a_100000188432_200000210301 [0,0,0,1,0,0|3,0,0]=4 3473 B8R1.3 CN1CCN(CC1)C 269982a_100000188432_200000210301 [0,0,0,1,0,0|3,0,0]=4 3474 B8R1.3 CN1CCN(CC1)[13CH3] 2230a_100000188432_200025704644 [0,0,0,1,0,0|3,0,0]=4 3475 B8R1.3 CN1CCN(CC1)[13CH3] 269982a_100000188432_200025704644 [0,0,0,1,0,0|3,0,0]=4 3476 B8R1.3 CN1CCS(=O)CC1 2230a_100000752083_200000210301 [0,0,0,1,0,0|2,0,0]=3 3477 B8R1.3 CN1CCS(=O)CC1 269982a_100000752083_200000210301 [0,0,0,1,0,0|2,0,0]=3 3478 B8R1.3 [13CH3]N1CCC(CC1)F 2230a_100015193889_200025704644 [0,0,0,1,0,0|2,0,1]=4 3479 B8R1.3 [13CH3]N1CCC(CC1)F 269982a_100015193889_200025704644 [0,0,0,1,0,0|2,0,1]=4 3480 B8R1.3 [13CH3]N1CCC(CC1)F 34a_100015193889_200025704644 [0,0,0,1,0,0|2,0,1]=4 3481 B8R1.3 [13CH3]N1CCC(CC1)O 2230a_100025773856_200025704644 [0,0,0,1,0,0|1,0,2]=4 3482 B8R1.3 [13CH3]N1CCC(CC1)O 269982a_100025773856_200025704644 [0,0,0,1,0,0|1,0,2]=4 3483 B8R1.3 [13CH3]N1CCS(=O)CC1 2230a_100000752083_200025704644 [0,0,0,1,0,0|2,0,0]=3 3484 B8R1.3 [13CH3]N1CCS(=O)CC1 269982a_100000752083_200025704644 [0,0,0,1,0,0|2,0,0]=3 3485 B8R1.5 CC1CCCCN1C 2230a_100000211376_200000210301 [0,0,0,1,0,0|2,0,0]=3 3486 B8R1.5 CC1CCCCN1C 269982a_100000211376_200000210301 [0,0,0,1,0,0|2,0,0]=3 3487 B8R1.5 CC1CCCCN1C 34a_100000211376_200000210301 [0,0,0,1,0,0|2,0,0]=3 3488 B8R1.5 CC1CCCCN1[13CH3] 2230a_100000211376_200025704644 [0,0,0,1,0,0|2,0,0]=3 3489 B8R1.5 CC1CCCCN1[13CH3] 269982a_100000211376_200025704644 [0,0,0,1,0,0|2,0,0]=3 3490 B8R1.5 CC1CCCCN1[13CH3] 34a_100000211376_200025704644 [0,0,0,1,0,0|2,0,0]=3 3491 B8R1.5 C[C@H]1COCCN1C 2230a_100009815349_200000210301 [0,0,0,1,0,0|3,0,0]=4 3492 B8R1.5 C[C@H]1COCCN1C 269982a_100009815349_200000210301 [0,0,0,1,0,0|3,0,0]=4 3493 B8R1.5 C[C@H]1COCCN1C 34a_100009815349_200000210301 [0,0,0,1,0,0|3,0,0]=4 3494 B8R1.5 C[C@H]1COCCN1[13CH3] 2230a_100009815349_200025704644 [0,0,0,1,0,0|3,0,0]=4 3495 B8R1.5 C[C@H]1COCCN1[13CH3] 269982a_100009815349_200025704644 [0,0,0,1,0,0|3,0,0]=4 3496 B8R1.5 C[C@H]1COCCN1[13CH3] 34a_100009815349_200025704644 [0,0,0,1,0,0|3,0,0]=4 3497 B8R1.9 CCOCC1CC1C 34a_100000744939_100000210202 [0,0,0,1,0,0|2,0,1]=4 3498 B8R1.9 CCOCC1CC1C 7a_100000744939_100000210202 [0,0,0,1,0,0|2,0,1]=4 3499 B8R1.10 CCCCN1CCC1 269982a_100000754969_100000210211 [0,0,0,1,0,0|2,0,0]=3 3500 B8R1.10 CCCNC1CCC1 2230a_100000749019_100000210303 [0,0,0,1,0,0|2,0,1]=4 3501 B8R1.10 CCCNC1CCC1 270004a_100020643023_100000241760 [0,0,0,1,0,0|2,0,1]=4 3502 B8R1.10 CCCNC1CCC1 34a_100000749019_100000210303 [0,0,0,1,0,0|2,0,1]=4 3503 B8R1.10 CCCOC1CCC1 34a_100000210258_100000749161 [0,0,0,1,0,0|2,0,1]=4 3504 B8R1.10 CCCOC1CCC1 34a_100000748187_100000210303 [0,0,0,1,0,0|2,0,1]=4 3505 B8R1.10 CCCSC1CCC1 62a_100000210303_100000749161 [0,0,0,1,0,0|2,0,1]=4 3506 B8R1.10 CCNCC1CCC1 2230a_100000738700_100000210202 [0,0,0,1,0,0|2,0,1]=4 3507 B8R1.10 CCNCC1CCC1 2230a_100015525214_100000763275 [0,0,0,1,0,0|2,0,1]=4 3508 B8R1.10 CCNCC1CCC1 269862a_100015525214_100000753134 [0,0,0,1,0,0|2,0,1]=4 3509 B8R1.10 CCNCC1CCC1 34a_100000738700_100000210202 [0,0,0,1,0,0|2,0,1]=4 3510 B8R1.10 CCNCC1CCO1 2230a_100015525214_100000103362 [0,0,0,1,0,0|1,0,2]=4 3511 B8R1.10 CCNC[C@@H]1CCO1 2230a_100020831831_100000210202 [0,0,0,1,0,0|1,0,2]=4 3512 B8R1.10 CCNC[C@@H]1CCO1 34a_100020831831_100000210202 [0,0,0,1,0,0|1,0,2]=4 3513 B8R1.10 CCNN=C1CCC1 4a_100000756455_100000241760 [0,0,0,1,0,0|3,0,0]=4 3514 B8R1.10 CCOCC1CCC1 34a_100000760304_100000210202 [0,0,0,1,0,0|2,0,1]=4 3515 B8R1.10 CCOCC1CCC1 34a_100121572206_100000763275 [0,0,0,1,0,0|2,0,1]=4 3516 B8R1.10 CCOCC1CCO1 34a_100000039022_100000210202 [0,0,0,1,0,0|1,0,2]=4 3517 B8R1.10 CCOCC1CCO1 34a_100121572206_100000103362 [0,0,0,1,0,0|1,0,2]=4 3518 B8R1.10 CCOCN1CCC1 269982a_100000754969_100000739092 [0,0,0,1,0,0|3,0,0]=4 3519 B8R1.10 CCSCC1CCC1 62a_100000210202_100000763275 [0,0,0,1,0,0|2,0,1]=4 3520 B8R1.10 CCSCC1CCC1 62a_100000763275_100000210202 [0,0,0,1,0,0|2,0,1]=4 3521 B8R1.10 CCSCC1CCO1 62a_100000103362_100000210202 [0,0,0,1,0,0|1,0,2]=4 3522 B8R1.10 CCSCC1CCO1 62a_100000210202_100000103362 [0,0,0,1,0,0|1,0,2]=4 3523 B8R1.10 COCCN1CCC1 269982a_100000754969_100000233755 [0,0,0,1,0,0|3,0,0]=4 3524 B8R1.10 CSCCN1CCC1 269982a_100000754969_100000212216 [0,0,0,1,0,0|3,0,0]=4 3525 B8R1.10 FCCCN1CCC1 269982a_100000754969_100011934791 [0,0,0,1,0,0|3,0,0]=4 3526 B8R1.10 OCCCN1CCC1 269982a_100000754969_100011215043 [0,0,0,1,0,0|3,0,0]=4 3527 B8R1.13 CCCN1CCC1C 269982a_100000755817_100000210303 [0,0,0,1,0,0|2,0,1]=4 3528 B8R1.13 CCCN1CCC1C 34a_100000755817_100000210303 [0,0,0,1,0,0|2,0,1]=4 3529 B8R1.13 CCOC1CCC1=O 34a_100121572206_100009892977 [0,0,0,1,0,0|1,0,0]=2 3530 B8R1.13 CCSC1CCC1=O 62a_100000210202_100009892977 [0,0,0,1,0,0|1,0,0]=2 3531 B8R1.13 CCSC1CCC1=O 62a_100009892977_100000210202 [0,0,0,1,0,0|1,0,0]=2 3532 B8R1.13 COCC1CCN1C 2230a_100015195929_200000210301 [0,0,0,1,0,0|3,0,0]=4 3533 B8R1.13 COCC1CCN1C 269982a_100015195929_200000210301 [0,0,0,1,0,0|3,0,0]=4 3534 B8R1.13 COCC1CCN1C 34a_100015195929_200000210301 [0,0,0,1,0,0|3,0,0]=4 3535 B8R1.13 COCC1CCN1[13CH3] 2230a_100015195929_200025704644 [0,0,0,1,0,0|3,0,0]=4 3536 B8R1.13 COCC1CCN1[13CH3] 269982a_100015195929_200025704644 [0,0,0,1,0,0|3,0,0]=4 3537 B8R1.13 COCC1CCN1[13CH3] 34a_100015195929_200025704644 [0,0,0,1,0,0|3,0,0]=4 3538 B8R1.13 O=C1CCC1SCF 62a_100009892977_100015361967 [0,0,0,1,0,0|2,0,0]=3 3539 B8R1.13 O=C1CCC1SCF 62a_100015361967_100009892977 [0,0,0,1,0,0|2,0,0]=3 3540 B8R1.22 CN1CCCCCC1 2230a_100000185865_200000210301 [0,0,0,1,0,0|2,0,0]=3 3541 B8R1.22 CN1CCCCCC1 269982a_100000185865_200000210301 [0,0,0,1,0,0|2,0,0]=3 3542 B8R1.22 CN1CCCCCC1 34a_100000185865_200000210301 [0,0,0,1,0,0|2,0,0]=3 3543 B8R1.22 CN1CCCOCC1 2230a_100000685342_200000210301 [0,0,0,1,0,0|3,0,0]=4 3544 B8R1.22 CN1CCCOCC1 269982a_100000685342_200000210301 [0,0,0,1,0,0|3,0,0]=4 3545 B8R1.22 CN1CCCOCC1 34a_100000685342_200000210301 [0,0,0,1,0,0|3,0,0]=4 3546 B8R1.22 [13CH3]N1CCCCCC1 2230a_100000185865_200025704644 [0,0,0,1,0,0|2,0,0]=3 3547 B8R1.22 [13CH3]N1CCCCCC1 269982a_100000185865_200025704644 [0,0,0,1,0,0|2,0,0]=3 3548 B8R1.22 [13CH3]N1CCCCCC1 34a_100000185865_200025704644 [0,0,0,1,0,0|2,0,0]=3 3549 B8R1.22 [13CH3]N1CCCOCC1 2230a_100000685342_200025704644 [0,0,0,1,0,0|3,0,0]=4 3550 B8R1.22 [13CH3]N1CCCOCC1 269982a_100000685342_200025704644 [0,0,0,1,0,0|3,0,0]=4 3551 B8R1.22 [13CH3]N1CCCOCC1 34a_100000685342_200025704644 [0,0,0,1,0,0|3,0,0]=4 3552 B8R1.38 C#CC(=O)C1CCC1 1458a_100000211873_100000749161 [0,0,0,1,0,0|0,0,2]=3 3553 B8R1.38 C#CC(=O)C1COC1 1458a_100000211873_100000687716 [0,0,0,1,0,0|1,0,2]=4 3554 B8R1.38 C=CC(=O)C1CCC1 1458a_100000185746_100000749161 [0,0,0,1,0,0|0,0,2]=3 3555 B8R1.38 C=CC(=O)C1COC1 1458a_100000185746_100000687716 [0,0,0,1,0,0|1,0,2]=4 3556 B8R1.38 C=CC(=O)N1CCC1 240690a_100000754969_200121576911 [0,0,0,1,0,0|1,0,2]=4 3557 B8R1.38 CC(N[13CH3])C1CCC1 2230a_100016994624_200025704644 [0,0,0,1,0,0|2,0,1]=4 3558 B8R1.38 CC(N[13CH3])C1CCC1 34a_100016994624_200025704644 [0,0,0,1,0,0|2,0,1]=4 3559 B8R1.38 CC(O[13CH3])C1CCC1 34a_100000766398_200025704644 [0,0,0,1,0,0|2,0,1]=4 3560 B8R1.38 CC(O[13CH3])C1CCC1 7a_100000766398_200025704644 [0,0,0,1,0,0|2,0,1]=4 3561 B8R1.38 CCC(=O)C1CCC1 1458a_100000209988_100000210202 [0,0,0,1,0,0|0,0,0]=1 3562 B8R1.38 CCC(=O)C1CCC1 1458a_100000210414_100000749161 [0,0,0,1,0,0|0,0,0]=1 3563 B8R1.38 CCC(=O)C1CCO1 1458a_100000089072_100000210202 [0,0,0,1,0,0|1,0,0]=2 3564 B8R1.38 CCC(=O)C1COC1 1458a_100000210414_100000687716 [0,0,0,1,0,0|1,0,0]=2 3565 B8R1.38 CCC(=O)C1COC1 1458a_100000758290_100000210202 [0,0,0,1,0,0|1,0,0]=2 3566 B8R1.38 CCC(=O)N1CCC1 11a_100000754969_100000210414 [0,0,0,1,0,0|1,0,0]=2 3567 B8R1.38 CCC(=O)N1CCC1 240690a_100000754969_100000210414 [0,0,0,1,0,0|1,0,0]=2 3568 B8R1.38 CCC(=O)N1CCC1 527a_100000754969_100000210414 [0,0,0,1,0,0|1,0,0]=2 3569 B8R1.38 CCC(C)N1CCC1 269982a_100000754969_100000758301 [0,0,0,1,0,0|2,0,1]=4 3570 B8R1.38 CCN(C)C1CCC1 2230a_100000758072_100000210202 [0,0,0,1,0,0|2,0,0]=3 3571 B8R1.38 CCN(C)C1CCC1 2230a_100000758130_200000210301 [0,0,0,1,0,0|2,0,0]=3 3572 B8R1.38 CCN(C)C1CCC1 269982a_100000225621_100000749161 [0,0,0,1,0,0|2,0,0]=3 3573 B8R1.38 CCN(C)C1CCC1 269982a_100000758072_100000204670 [0,0,0,1,0,0|2,0,0]=3 3574 B8R1.38 CCN(C)C1CCC1 269982a_100000758130_200000210301 [0,0,0,1,0,0|2,0,0]=3 3575 B8R1.38 CCN(C)C1CCC1 34a_100000758072_100000210202 [0,0,0,1,0,0|2,0,0]=3 3576 B8R1.38 CCN(C)C1COC1 2230a_100102693430_100000210202 [0,0,0,1,0,0|3,0,0]=4 3577 B8R1.38 CCN(C)C1COC1 2230a_200015199590_200000210301 [0,0,0,1,0,0|3,0,0]=4 3578 B8R1.38 CCN(C)C1COC1 269982a_100000225621_100000687716 [0,0,0,1,0,0|3,0,0]=4 3579 B8R1.38 CCN(C)C1COC1 269982a_100102693430_100000204670 [0,0,0,1,0,0|3,0,0]=4 3580 B8R1.38 CCN(C)C1COC1 269982a_200015199590_200000210301 [0,0,0,1,0,0|3,0,0]=4 3581 B8R1.38 CCN([13CH3])C1CCC1 2230a_100000758130_200025704644 [0,0,0,1,0,0|2,0,0]=3 3582 B8R1.38 CCN([13CH3])C1CCC1 269982a_100000758130_200025704644 [0,0,0,1,0,0|2,0,0]=3 3583 B8R1.38 CCN([13CH3])C1COC1 2230a_200015199590_200025704644 [0,0,0,1,0,0|3,0,0]=4 3584 B8R1.38 CCN([13CH3])C1COC1 269982a_200015199590_200025704644 [0,0,0,1,0,0|3,0,0]=4 3585 B8R1.38 CN(CF)C1CCC1 269982a_100000758072_100015361967 [0,0,0,1,0,0|3,0,0]=4 3586 B8R1.38 CN(CF)C1CCC1 34a_100000758072_100015361967 [0,0,0,1,0,0|3,0,0]=4 3587 B8R1.38 CNC(=O)C1CCC1 11a_106832991635_100000209988 [0,0,0,1,0,0|1,0,0]=2 3588 B8R1.38 CNC(=O)C1CCC1 1626a_100102657272_100000209988 [0,0,0,1,0,0|1,0,0]=2 3589 B8R1.38 CNC(=O)C1CCC1 240690a_100102657272_100000209988 [0,0,0,1,0,0|1,0,0]=2 3590 B8R1.38 CNC(=O)C1CCC1 527a_100102657272_100000209988 [0,0,0,1,0,0|1,0,0]=2 3591 B8R1.38 CNC(=O)C1CCO1 11a_106832991635_100000089072 [0,0,0,1,0,0|2,0,0]=3 3592 B8R1.38 CNC(=O)C1CCO1 1626a_100102657272_100000089072 [0,0,0,1,0,0|2,0,0]=3 3593 B8R1.38 CNC(=O)C1CCO1 240690a_100102657272_100000089072 [0,0,0,1,0,0|2,0,0]=3 3594 B8R1.38 CNC(=O)C1CCO1 527a_100102657272_100000089072 [0,0,0,1,0,0|2,0,0]=3 3595 B8R1.38 CNC(=O)C1COC1 11a_106832991635_100000758290 [0,0,0,1,0,0|2,0,0]=3 3596 B8R1.38 CNC(=O)C1COC1 1626a_100102657272_100000758290 [0,0,0,1,0,0|2,0,0]=3 3597 B8R1.38 CNC(=O)C1COC1 240690a_100102657272_100000758290 [0,0,0,1,0,0|2,0,0]=3 3598 B8R1.38 CNC(=O)C1COC1 527a_100102657272_100000758290 [0,0,0,1,0,0|2,0,0]=3 3599 B8R1.38 CNC(=O)N1CCC1 2708a_100102657272_100000754969 [0,0,0,1,0,0|2,0,0]=3 3600 B8R1.38 CNC(=O)N1CCC1 273464a_100102657272_100000754969 [0,0,0,1,0,0|2,0,0]=3 3601 B8R1.38 CNC(C)C1CCC1 2230a_100016994624_200000210301 [0,0,0,1,0,0|2,0,1]=4 3602 B8R1.38 CNC(C)C1CCC1 269862a_106832991636_100000760154 [0,0,0,1,0,0|2,0,1]=4 3603 B8R1.38 CNC(C)C1CCC1 34a_100016994624_200000210301 [0,0,0,1,0,0|2,0,1]=4 3604 B8R1.38 COC(C)C1CCC1 34a_100000766398_200000210301 [0,0,0,1,0,0|2,0,1]=4 3605 B8R1.38 COC(C)C1CCC1 7a_100000766398_200000210301 [0,0,0,1,0,0|2,0,1]=4 3606 B8R1.38 O=C(CF)C1CCC1 1458a_100000209988_100015361967 [0,0,0,1,0,0|1,0,0]=2 3607 B8R1.38 O=C(CF)C1CCO1 1458a_100000089072_100015361967 [0,0,0,1,0,0|2,0,0]=3 3608 B8R1.38 O=C(CF)C1COC1 1458a_100000758290_100015361967 [0,0,0,1,0,0|2,0,0]=3 3609 B8R1.38 O=C(CO)C1CCC1 1458a_100000210174_100000749161 [0,0,0,1,0,0|1,0,0]=2 3610 B8R1.38 O=C(CO)C1COC1 1458a_100000210174_100000687716 [0,0,0,1,0,0|2,0,0]=3 3611 B8R1.38 O=C(CO)N1CCC1 240690a_100000754969_100000210174 [0,0,0,1,0,0|2,0,0]=3 3612 B8R1.38 O=C(CO)N1CCC1 527a_100000754969_100000210174 [0,0,0,1,0,0|2,0,0]=3 3613 B8R1.40 C#CC(=O)CC1CC1 1458a_100000211873_100000742324 [0,0,0,1,0,0|0,0,2]=3 3614 B8R1.40 C#CC(=O)CC1CO1 1458a_100000211873_100011216344 [0,0,0,1,0,0|1,0,2]=4 3615 B8R1.40 C#CC(=O)CC1CS1 1458a_100000211873_100000031435 [0,0,0,1,0,0|1,0,2]=4 3616 B8R1.40 C#CC(=O)C[C@@H]1CO1 1458a_100000211873_100000745022 [0,0,0,1,0,0|1,0,2]=4 3617 B8R1.40 C=CC(=O)CC1CC1 1458a_100000185746_100000742324 [0,0,0,1,0,0|0,0,2]=3 3618 B8R1.40 C=CC(=O)CC1CO1 1458a_100000185746_100011216344 [0,0,0,1,0,0|1,0,2]=4 3619 B8R1.40 C=CC(=O)CC1CS1 1458a_100000185746_100000031435 [0,0,0,1,0,0|1,0,2]=4 3620 B8R1.40 C=CC(=O)C[C@@H]1CO1 1458a_100000185746_100000745022 [0,0,0,1,0,0|1,0,2]=4 3621 B8R1.40 C=CC(=O)NC1CC1 1626a_100000212008_100000185746 [0,0,0,1,0,0|1,0,2]=4 3622 B8R1.40 C=CC(=O)NC1CC1 240690a_100000212008_200121576911 [0,0,0,1,0,0|1,0,2]=4 3623 B8R1.40 CCC(=O)CC1CC1 1458a_100000210414_100000742324 [0,0,0,1,0,0|0,0,0]=1 3624 B8R1.40 CCC(=O)CC1CC1 1458a_100000738066_100000210202 [0,0,0,1,0,0|0,0,0]=1 3625 B8R1.40 CCC(=O)CC1CO1 1458a_100000210414_100011216344 [0,0,0,1,0,0|1,0,0]=2 3626 B8R1.40 CCC(=O)CC1CS1 1458a_100000210414_100000031435 [0,0,0,1,0,0|1,0,0]=2 3627 B8R1.40 CCC(=O)C[C@@H]1CO1 1458a_100000210414_100000745022 [0,0,0,1,0,0|1,0,0]=2 3628 B8R1.40 CCC(=O)NC1CC1 1626a_100000212008_100000210414 [0,0,0,1,0,0|1,0,0]=2 3629 B8R1.40 CCC(=O)NC1CC1 240690a_100000212008_100000210414 [0,0,0,1,0,0|1,0,0]=2 3630 B8R1.40 CCC(=O)NC1CC1 527a_100000212008_100000210414 [0,0,0,1,0,0|1,0,0]=2 3631 B8R1.40 CCC(C)NC1CC1 34a_100000212008_100011215416 [0,0,0,1,0,0|2,0,1]=4 3632 B8R1.40 CCC(C)SC1CC1 62a_100000758301_100000211595 [0,0,0,1,0,0|2,0,1]=4 3633 B8R1.40 CCN(C)CC1CC1 2230a_100000225621_100000742324 [0,0,0,1,0,0|2,0,0]=3 3634 B8R1.40 CCN(C)CC1CC1 2230a_100000741881_100000210202 [0,0,0,1,0,0|2,0,0]=3 3635 B8R1.40 CCN(C)CC1CC1 269982a_100000225621_100000756562 [0,0,0,1,0,0|2,0,0]=3 3636 B8R1.40 CCN(C)CC1CC1 269982a_100000741881_100000204670 [0,0,0,1,0,0|2,0,0]=3 3637 B8R1.40 CCN(C)CC1CO1 2230a_100000225621_100011216344 [0,0,0,1,0,0|3,0,0]=4 3638 B8R1.40 CCN(C)CC1CO1 269982a_100000225621_102125554688 [0,0,0,1,0,0|3,0,0]=4 3639 B8R1.40 CCN(C)CC1CS1 269982a_100000225621_100000031435 [0,0,0,1,0,0|3,0,0]=4 3640 B8R1.40 CCN(C)C[C@@H]1CO1 269982a_100000225621_100000745022 [0,0,0,1,0,0|3,0,0]=4 3641 B8R1.40 CN(CF)CC1CC1 269982a_100000741881_100015361967 [0,0,0,1,0,0|3,0,0]=4 3642 B8R1.40 CNC(=O)CC1CC1 11a_106832991635_100000738066 [0,0,0,1,0,0|1,0,0]=2 3643 B8R1.40 CNC(=O)CC1CC1 1626a_100102657272_100000738066 [0,0,0,1,0,0|1,0,0]=2 3644 B8R1.40 CNC(=O)CC1CC1 240690a_100102657272_100000738066 [0,0,0,1,0,0|1,0,0]=2 3645 B8R1.40 CNC(=O)CC1CC1 527a_100102657272_100000738066 [0,0,0,1,0,0|1,0,0]=2 3646 B8R1.40 CNC(=O)NC1CC1 2708a_100000212008_106832991635 [0,0,0,1,0,0|2,0,0]=3 3647 B8R1.40 CNC(=O)NC1CC1 2708a_100102657272_100000212008 [0,0,0,1,0,0|2,0,0]=3 3648 B8R1.40 CNC(=O)NC1CC1 273464a_100000212008_100102657272 [0,0,0,1,0,0|2,0,0]=3 3649 B8R1.40 CNC(=O)NC1CC1 273464a_100102657272_100000212008 [0,0,0,1,0,0|2,0,0]=3 3650 B8R1.40 CNC(=O)NC1CC1 512a_100000212008_100102657272 [0,0,0,1,0,0|2,0,0]=3 3651 B8R1.40 CNC(C)CC1CC1 270004a_106832991635_200000686933 [0,0,0,1,0,0|2,0,1]=4 3652 B8R1.40 O=C(CF)CC1CC1 1458a_100000738066_100015361967 [0,0,0,1,0,0|1,0,0]=2 3653 B8R1.40 O=C(CO)CC1CC1 1458a_100000210174_100000742324 [0,0,0,1,0,0|1,0,0]=2 3654 B8R1.40 O=C(CO)CC1CO1 1458a_100000210174_100011216344 [0,0,0,1,0,0|2,0,0]=3 3655 B8R1.40 O=C(CO)CC1CS1 1458a_100000210174_100000031435 [0,0,0,1,0,0|2,0,0]=3 3656 B8R1.40 O=C(CO)C[C@@H]1CO1 1458a_100000210174_100000745022 [0,0,0,1,0,0|2,0,0]=3 3657 B8R1.40 O=C(CO)NC1CC1 240690a_100000212008_100000210174 [0,0,0,1,0,0|2,0,0]=3 3658 B8R1.40 O=C(CO)NC1CC1 527a_100000212008_100000210174 [0,0,0,1,0,0|2,0,0]=3 3659 B8R1.41 CCCNC1(CC1)C 2230a_100000757604_100000210303 [0,0,0,1,0,0|2,0,1]=4 3660 B8R1.41 CCCOC1(CC1)C 7a_100011725673_100000210303 [0,0,0,1,0,0|2,0,1]=4 3661 B8R1.41 CCNCC1(CC1)C 2230a_100000766693_100000210202 [0,0,0,1,0,0|2,0,1]=4 3662 B8R1.41 CCNCC1(CC1)O 2230a_100011936951_100000210202 [0,0,0,1,0,0|1,0,2]=4 3663 B8R1.41 CCOCC1(CC1)C 7a_100000698024_100000210202 [0,0,0,1,0,0|2,0,1]=4 3664 B8R1.41 CCOCC1(CC1)F 34a_200000703853_100000210202 [0,0,0,1,0,0|2,0,1]=4 3665 B8R1.41 CCOCC1(CC1)F 7a_200000703853_100000210202 [0,0,0,1,0,0|2,0,1]=4 3666 B8R1.46 CCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210202 [0,0,0,1,0,0|1,0,2]=4 3667 B8R1.46 CCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000204670 [0,0,0,1,0,0|1,0,2]=4 3668 B8R1.47 CCC1CN(C1)CC 2230a_100015205115_100000210202 [0,0,0,1,0,0|2,0,0]=3 3669 B8R1.47 CCC1CN(C1)CC 269982a_100015205115_100000204670 [0,0,0,1,0,0|2,0,0]=3 3670 B8R1.47 CCC1CN(C1)CF 269982a_100015205115_100015361967 [0,0,0,1,0,0|3,0,0]=4 3671 B8R1.47 CCN1CC(C1)CF 269982a_100010363649_100000204670 [0,0,0,1,0,0|3,0,0]=4 3672 B8R1.47 CCN1CC(C1)CF 34a_100010363649_100000210202 [0,0,0,1,0,0|3,0,0]=4 3673 B8R1.47 CCN1CC(C1)CO 269982a_100016987283_100000204670 [0,0,0,1,0,0|3,0,0]=4 3674 B8R1.47 CCN1CC(C1)CO 34a_100016987283_100000210202 [0,0,0,1,0,0|3,0,0]=4 3675 B8R1.47 CCN1CC(C1)NC 2230a_200015199589_200000210301 [0,0,0,1,0,0|3,0,0]=4 3676 B8R1.47 CCN1CC(C1)N[13CH3] 2230a_200015199589_200025704644 [0,0,0,1,0,0|3,0,0]=4 3677 B8R1.47 CCN1CC(C1)OC 269982a_100000755009_100000204670 [0,0,0,1,0,0|3,0,0]=4 3678 B8R1.47 CCN1CC(C1)SC 269982a_100016990038_100000204670 [0,0,0,1,0,0|3,0,0]=4 3679 B8R1.50 CC1CCC(N1C)C 2230a_100000687148_200000210301 [0,0,0,1,0,0|2,0,1]=4 3680 B8R1.50 CC1CCC(N1C)C 269982a_100000687148_200000210301 [0,0,0,1,0,0|2,0,1]=4 3681 B8R1.50 CC1CCC(N1C)C 34a_100000687148_200000210301 [0,0,0,1,0,0|2,0,1]=4 3682 B8R1.50 CC1CCC(N1[13CH3])C 2230a_100000687148_200025704644 [0,0,0,1,0,0|2,0,1]=4 3683 B8R1.50 CC1CCC(N1[13CH3])C 269982a_100000687148_200025704644 [0,0,0,1,0,0|2,0,1]=4 3684 B8R1.50 CC1CCC(N1[13CH3])C 34a_100000687148_200025704644 [0,0,0,1,0,0|2,0,1]=4 3685 B8R1.52 CC1(CCCC1)O[13CH3] 34a_100000751722_200025704644 [0,0,0,1,0,0|2,0,1]=4 3686 B8R1.52 CC1(CCCC1)O[13CH3] 7a_100000751722_200025704644 [0,0,0,1,0,0|2,0,1]=4 3687 B8R1.52 COC1(CCCC1)C 34a_100000751722_200000210301 [0,0,0,1,0,0|2,0,1]=4 3688 B8R1.52 COC1(CCCC1)C 7a_100000751722_200000210301 [0,0,0,1,0,0|2,0,1]=4 3689 B8R1.83 CC1CC1C(=O)CF 1458a_100000211227_100015361967 [0,0,0,1,0,0|1,0,0]=2 3690 B8R1.83 CCC(=O)C1CC1C 1458a_100000211227_100000210202 [0,0,0,1,0,0|0,0,0]=1 3691 B8R1.83 CCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210202 [0,0,0,1,0,0|1,0,0]=2 3692 B8R1.83 CNC(=O)C1CC1C 11a_106832991635_100000211227 [0,0,0,1,0,0|1,0,0]=2 3693 B8R1.83 CNC(=O)C1CC1C 1626a_100102657272_100000211227 [0,0,0,1,0,0|1,0,0]=2 3694 B8R1.83 CNC(=O)C1CC1C 527a_100102657272_100000211227 [0,0,0,1,0,0|1,0,0]=2 3695 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 11a_106832991635_100015396687 [0,0,0,1,0,0|2,0,0]=3 3696 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 240690a_100102657272_100015396687 [0,0,0,1,0,0|2,0,0]=3 3697 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 527a_100102657272_100015396687 [0,0,0,1,0,0|2,0,0]=3 3698 B8R1.83 COC(=O)C1CN1C 2230a_200009830135_200000210301 [0,0,0,1,0,0|2,0,0]=3 3699 B8R1.83 COC(=O)C1CN1[13CH3] 2230a_200009830135_200025704644 [0,0,0,1,0,0|2,0,0]=3 3700 B8R1.83 O=C(CF)[C@@H]1C[C@@H]1F 1458a_100015396687_100015361967 [0,0,0,1,0,0|2,0,0]=3 3701 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [2,0,0,0,0,0|0,0,2]=4 3702 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [2,0,0,0,0,0|0,0,2]=4 3703 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [2,0,0,0,0,0|0,0,2]=4 3704 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [2,0,0,0,0,0|2,0,0]=4 3705 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [2,0,0,0,0,0|2,0,0]=4 3706 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [2,0,0,0,0,0|2,0,0]=4 3707 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [2,0,0,0,0,0|2,0,0]=4 3708 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [2,0,0,0,0,0|2,0,0]=4 3709 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [2,0,0,0,0,0|2,0,0]=4 3710 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [2,0,0,0,0,0|2,0,0]=4 3711 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [2,0,0,0,0,0|2,0,0]=4 3712 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [2,0,0,0,0,0|2,0,0]=4 3713 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [2,0,0,0,0,0|2,0,0]=4 3714 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [2,0,0,0,0,0|0,0,2]=4 3715 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [2,0,0,0,0,0|0,0,2]=4 3716 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [2,0,0,0,0,0|0,0,2]=4 3717 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [2,0,0,0,0,0|0,0,2]=4 3718 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [2,0,0,0,0,0|0,0,2]=4 3719 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [2,0,0,0,0,0|1,0,1]=4 3720 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [2,0,0,0,0,0|1,0,1]=4 3721 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [2,0,0,0,0,0|1,0,0]=3 3722 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [2,0,0,0,0,0|1,0,0]=3 3723 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [2,0,0,0,0,0|1,0,0]=3 3724 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [2,0,0,0,0,0|1,0,0]=3 3725 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [2,0,0,0,0,0|0,0,2]=4 3726 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [2,0,0,0,0,0|0,0,2]=4 3727 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [2,0,0,0,0,0|0,0,0]=2 3728 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [2,0,0,0,0,0|0,0,0]=2 3729 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [2,0,0,0,0,0|0,0,0]=2 3730 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [2,0,0,0,0,0|2,0,0]=4 3731 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [2,0,0,0,0,0|2,0,0]=4 3732 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [2,0,0,0,0,0|2,0,0]=4 3733 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [2,0,0,0,0,0|2,0,0]=4 3734 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [2,0,0,0,0,0|2,0,0]=4 3735 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [2,0,0,0,0,0|2,0,0]=4 3736 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [2,0,0,0,0,0|1,0,0]=3 3737 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [2,0,0,0,0,0|1,0,0]=3 3738 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [2,0,0,0,0,0|1,0,0]=3 3739 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [2,0,0,0,0,0|2,0,0]=4 3740 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [2,0,0,0,0,0|2,0,0]=4 3741 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [2,0,0,0,0,0|2,0,0]=4 3742 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [2,0,0,0,0,0|2,0,0]=4 3743 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [2,0,0,0,0,0|2,0,0]=4 3744 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [2,0,0,0,0,0|2,0,0]=4 3745 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [2,0,0,0,0,0|2,0,0]=4 3746 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [2,0,0,0,0,0|1,0,0]=3 3747 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [2,0,0,0,0,0|1,0,0]=3 3748 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [2,0,0,0,0,0|2,0,0]=4 3749 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [2,0,0,0,0,0|1,0,0]=3 3750 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [2,0,0,0,0,0|2,0,0]=4 3751 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [2,0,0,0,0,0|1,0,0]=3 3752 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [2,0,0,0,0,0|2,0,0]=4 3753 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [2,0,0,0,0,0|2,0,0]=4 3754 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [2,0,0,0,0,0|1,0,0]=3 3755 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [2,0,0,0,0,0|2,0,0]=4 3756 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [2,0,0,0,0,0|2,0,0]=4 3757 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [2,0,0,0,0,0|1,0,1]=4 3758 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [2,0,0,0,0,0|1,0,0]=3 3759 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [2,0,0,0,0,0|2,0,0]=4 3760 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [2,0,0,0,0,0|2,0,0]=4 3761 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [2,0,0,0,0,0|2,0,0]=4 3762 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [2,0,0,0,0,0|2,0,0]=4 3763 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [2,0,0,0,0,0|2,0,0]=4 3764 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [2,0,0,0,0,0|2,0,0]=4 3765 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [2,0,0,0,0,0|1,0,1]=4 3766 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [2,0,0,0,0,0|1,0,1]=4 3767 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [2,0,0,0,0,0|1,0,1]=4 3768 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [2,0,0,0,0,0|1,0,1]=4 3769 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [2,0,0,0,0,0|1,0,1]=4 3770 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [2,0,0,0,0,0|1,0,1]=4 3771 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [2,0,0,0,0,0|1,0,1]=4 3772 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [2,0,0,0,0,0|1,0,1]=4 3773 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [2,0,0,0,0,0|1,0,1]=4 3774 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [2,0,0,0,0,0|1,0,1]=4 3775 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [2,0,0,0,0,0|1,0,1]=4 3776 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [2,0,0,0,0,0|1,0,1]=4 3777 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [2,0,0,0,0,0|1,0,1]=4 3778 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [2,0,0,0,0,0|1,0,1]=4 3779 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [2,0,0,0,0,0|1,0,1]=4 3780 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [2,0,0,0,0,0|1,0,1]=4 3781 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [2,0,0,0,0,0|1,0,1]=4 3782 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [2,0,0,0,0,0|1,0,1]=4 3783 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [2,0,0,0,0,0|1,0,1]=4 3784 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [2,0,0,0,0,0|1,0,1]=4 3785 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [2,0,0,0,0,0|1,0,1]=4 3786 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [2,0,0,0,0,0|1,0,1]=4 3787 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [2,0,0,0,0,0|1,0,1]=4 3788 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [2,0,0,0,0,0|1,0,1]=4 3789 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [2,0,0,0,0,0|1,0,1]=4 3790 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [2,0,0,0,0,0|1,0,1]=4 3791 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [2,0,0,0,0,0|1,0,1]=4 3792 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [2,0,0,0,0,0|1,0,1]=4 3793 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [2,0,0,0,0,0|1,0,1]=4 3794 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [2,0,0,0,0,0|1,0,1]=4 3795 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [2,0,0,0,0,0|1,0,1]=4 3796 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [2,0,0,0,0,0|1,0,1]=4 3797 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [2,0,0,0,0,0|1,0,1]=4 3798 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [2,0,0,0,0,0|1,0,1]=4 3799 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [2,0,0,0,0,0|1,0,1]=4 3800 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [2,0,0,0,0,0|2,0,0]=4 3801 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [2,0,0,0,0,0|1,0,0]=3 3802 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [2,0,0,0,0,0|1,0,0]=3 3803 B5R0.2 CCCCNC 34a_100102657272_100000210210 [2,0,0,0,0,0|1,0,0]=3 3804 B5R0.2 CCCCNC 7a_106832991635_100000210211 [2,0,0,0,0,0|1,0,0]=3 3805 B5R0.2 CCCCNC 7a_106832991798_200000210301 [2,0,0,0,0,0|1,0,0]=3 3806 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [2,0,0,0,0,0|1,0,0]=3 3807 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [2,0,0,0,0,0|1,0,0]=3 3808 B5R0.2 CCCCOC 34a_100000210227_200000210301 [2,0,0,0,0,0|1,0,0]=3 3809 B5R0.2 CCCCOC 34a_100138415774_100000210210 [2,0,0,0,0,0|1,0,0]=3 3810 B5R0.2 CCCCOC 7a_100000210227_200000210301 [2,0,0,0,0,0|1,0,0]=3 3811 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [2,0,0,0,0,0|1,0,0]=3 3812 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [2,0,0,0,0,0|1,0,0]=3 3813 B5R0.2 CCCCSC 62a_100000210211_200000210301 [2,0,0,0,0,0|1,0,0]=3 3814 B5R0.2 CCCCSC 62a_200000210301_100000210210 [2,0,0,0,0,0|1,0,0]=3 3815 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [2,0,0,0,0,0|1,0,0]=3 3816 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [2,0,0,0,0,0|1,0,0]=3 3817 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [2,0,0,0,0,0|1,0,0]=3 3818 B5R0.2 CCCOCC 34a_100000210258_100000210202 [2,0,0,0,0,0|1,0,0]=3 3819 B5R0.2 CCCOCC 34a_100121572206_100000210303 [2,0,0,0,0,0|1,0,0]=3 3820 B5R0.2 CCCOCF 34a_100000210258_100015361967 [2,0,0,0,0,0|2,0,0]=4 3821 B5R0.2 CCCSCC 62a_100000210202_100000210303 [2,0,0,0,0,0|1,0,0]=3 3822 B5R0.2 CCCSCC 62a_100000210303_100000210202 [2,0,0,0,0,0|1,0,0]=3 3823 B5R0.2 CCCSCF 62a_100000210303_100015361967 [2,0,0,0,0,0|2,0,0]=4 3824 B5R0.2 CCCSCF 62a_100015361967_100000210303 [2,0,0,0,0,0|2,0,0]=4 3825 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [2,0,0,0,0,0|1,0,0]=3 3826 B5R0.2 CCNCCF 2230a_100015525214_100011217306 [2,0,0,0,0,0|2,0,0]=4 3827 B5R0.2 CCNCCF 34a_100000724931_100000210202 [2,0,0,0,0,0|2,0,0]=4 3828 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [2,0,0,0,0,0|2,0,0]=4 3829 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [2,0,0,0,0,0|2,0,0]=4 3830 B5R0.2 CCNCCO 34a_100016990907_100000210202 [2,0,0,0,0,0|2,0,0]=4 3831 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [2,0,0,0,0,0|2,0,0]=4 3832 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [2,0,0,0,0,0|2,0,0]=4 3833 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [2,0,0,0,0,0|1,0,0]=3 3834 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [2,0,0,0,0,0|2,0,0]=4 3835 B5R0.2 CCOCCF 34a_100121572206_100011217306 [2,0,0,0,0,0|2,0,0]=4 3836 B5R0.2 CCOCCN 34a_100000210304_100000210202 [2,0,0,0,0,0|2,0,0]=4 3837 B5R0.2 CCOCCO 34a_100121572206_100000211926 [2,0,0,0,0,0|2,0,0]=4 3838 B5R0.2 CCOCSC 34a_100121572206_100011218213 [2,0,0,0,0,0|2,0,0]=4 3839 B5R0.2 CCOCSC 62a_100000739092_200000210301 [2,0,0,0,0,0|2,0,0]=4 3840 B5R0.2 CCOCSC 62a_200000210301_100000739092 [2,0,0,0,0,0|2,0,0]=4 3841 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [2,0,0,0,0,0|2,0,0]=4 3842 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [2,0,0,0,0,0|2,0,0]=4 3843 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [2,0,0,0,0,0|1,0,0]=3 3844 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [2,0,0,0,0,0|1,0,0]=3 3845 B5R0.2 CCSCCF 62a_100000210202_100011217306 [2,0,0,0,0,0|2,0,0]=4 3846 B5R0.2 CCSCCF 62a_100011217306_100000210202 [2,0,0,0,0,0|2,0,0]=4 3847 B5R0.2 CCSCCO 62a_100000210202_100000211926 [2,0,0,0,0,0|2,0,0]=4 3848 B5R0.2 CCSCCO 62a_100000211926_100000210202 [2,0,0,0,0,0|2,0,0]=4 3849 B5R0.2 CCSCOC 62a_100000210202_100000766300 [2,0,0,0,0,0|2,0,0]=4 3850 B5R0.2 CCSCOC 62a_100000766300_100000210202 [2,0,0,0,0,0|2,0,0]=4 3851 B5R0.2 CCSCSC 62a_100000210202_100011218213 [2,0,0,0,0,0|2,0,0]=4 3852 B5R0.2 CCSCSC 62a_100011218213_100000210202 [2,0,0,0,0,0|2,0,0]=4 3853 B5R0.2 CNCCCF 2230a_100015189416_200000210301 [2,0,0,0,0,0|2,0,0]=4 3854 B5R0.2 CNCCCF 2230a_106832991635_100011934791 [2,0,0,0,0,0|2,0,0]=4 3855 B5R0.2 CNCCCF 34a_100015189416_200000210301 [2,0,0,0,0,0|2,0,0]=4 3856 B5R0.2 CNCCCF 34a_100102657272_100011934791 [2,0,0,0,0,0|2,0,0]=4 3857 B5R0.2 CNCCCF 7a_106832991635_100011934791 [2,0,0,0,0,0|2,0,0]=4 3858 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [2,0,0,0,0,0|2,0,0]=4 3859 B5R0.2 CNCCCO 34a_100102657272_100000230001 [2,0,0,0,0,0|2,0,0]=4 3860 B5R0.2 CNCCCO 7a_106832991635_100011215043 [2,0,0,0,0,0|2,0,0]=4 3861 B5R0.2 CNCCOC 2230a_100000209980_200000210301 [2,0,0,0,0,0|2,0,0]=4 3862 B5R0.2 CNCCOC 2230a_106832991635_100011201679 [2,0,0,0,0,0|2,0,0]=4 3863 B5R0.2 CNCCOC 34a_100102657272_100011201679 [2,0,0,0,0,0|2,0,0]=4 3864 B5R0.2 CNCCOC 7a_106832991635_100000233755 [2,0,0,0,0,0|2,0,0]=4 3865 B5R0.2 CNCCSC 2230a_100020590264_200000210301 [2,0,0,0,0,0|2,0,0]=4 3866 B5R0.2 CNCCSC 2230a_106832991635_100000751147 [2,0,0,0,0,0|2,0,0]=4 3867 B5R0.2 CNCCSC 34a_100102657272_100000212216 [2,0,0,0,0,0|2,0,0]=4 3868 B5R0.2 CNCCSC 7a_106832991635_100000212216 [2,0,0,0,0,0|2,0,0]=4 3869 B5R0.2 COCCCBr 34a_100011217188_200000210301 [2,0,0,0,0,0|2,0,0]=4 3870 B5R0.2 COCCCCl 34a_100000230001_200000210301 [2,0,0,0,0,0|2,0,0]=4 3871 B5R0.2 COCCCF 34a_100000759539_200000210301 [2,0,0,0,0,0|2,0,0]=4 3872 B5R0.2 COCCCF 34a_100138415774_100011934791 [2,0,0,0,0,0|2,0,0]=4 3873 B5R0.2 COCCCN 34a_100000182051_200000210301 [2,0,0,0,0,0|2,0,0]=4 3874 B5R0.2 COCCCO 34a_100138415774_100000230001 [2,0,0,0,0,0|2,0,0]=4 3875 B5R0.2 COCCN[13CH3] 2230a_100000209980_200025704644 [2,0,0,0,0,0|2,0,0]=4 3876 B5R0.2 COCCOC 34a_100000210237_200000210301 [2,0,0,0,0,0|2,0,0]=4 3877 B5R0.2 COCCOC 34a_100138415774_100011201679 [2,0,0,0,0,0|2,0,0]=4 3878 B5R0.2 COCCO[13CH3] 34a_100000210237_200025704644 [2,0,0,0,0,0|2,0,0]=4 3879 B5R0.2 COCCSC 34a_100000230434_200000210301 [2,0,0,0,0,0|2,0,0]=4 3880 B5R0.2 COCCSC 34a_100138415774_100000212216 [2,0,0,0,0,0|2,0,0]=4 3881 B5R0.2 COCCSC 62a_100000233755_200000210301 [2,0,0,0,0,0|2,0,0]=4 3882 B5R0.2 COCCSC 62a_200000210301_100000233755 [2,0,0,0,0,0|2,0,0]=4 3883 B5R0.2 COCCSC 7a_100000230434_200000210301 [2,0,0,0,0,0|2,0,0]=4 3884 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [2,0,0,0,0,0|2,0,0]=4 3885 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [2,0,0,0,0,0|2,0,0]=4 3886 B5R0.2 CSCCCF 62a_100011934791_200000210301 [2,0,0,0,0,0|2,0,0]=4 3887 B5R0.2 CSCCCF 62a_200000210301_100011934791 [2,0,0,0,0,0|2,0,0]=4 3888 B5R0.2 CSCCCO 62a_100011215043_200000210301 [2,0,0,0,0,0|2,0,0]=4 3889 B5R0.2 CSCCCO 62a_200000210301_100011215043 [2,0,0,0,0,0|2,0,0]=4 3890 B5R0.2 CSCCN[13CH3] 2230a_100020590264_200025704644 [2,0,0,0,0,0|2,0,0]=4 3891 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [2,0,0,0,0,0|2,0,0]=4 3892 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [2,0,0,0,0,0|2,0,0]=4 3893 B5R0.2 CSCCSC 62a_100000212216_200000210301 [2,0,0,0,0,0|2,0,0]=4 3894 B5R0.2 CSCCSC 62a_200000210301_100000751147 [2,0,0,0,0,0|2,0,0]=4 3895 B5R0.2 CSCCS[13CH3] 62a_100000212216_200025704644 [2,0,0,0,0,0|2,0,0]=4 3896 B5R0.2 CSCCS[13CH3] 62a_200025704644_100000751147 [2,0,0,0,0,0|2,0,0]=4 3897 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [2,0,0,0,0,0|2,0,0]=4 3898 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [2,0,0,0,0,0|2,0,0]=4 3899 B5R0.2 [13CH3]NCCCF 2230a_100015189416_200025704644 [2,0,0,0,0,0|2,0,0]=4 3900 B5R0.2 [13CH3]NCCCF 34a_100015189416_200025704644 [2,0,0,0,0,0|2,0,0]=4 3901 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [2,0,0,0,0,0|2,0,0]=4 3902 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [2,0,0,0,0,0|2,0,0]=4 3903 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [2,0,0,0,0,0|2,0,0]=4 3904 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [2,0,0,0,0,0|2,0,0]=4 3905 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [2,0,0,0,0,0|2,0,0]=4 3906 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [2,0,0,0,0,0|2,0,0]=4 3907 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [2,0,0,0,0,0|2,0,0]=4 3908 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [2,0,0,0,0,0|2,0,0]=4 3909 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [2,0,0,0,0,0|0,0,2]=4 3910 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [2,0,0,0,0,0|0,0,2]=4 3911 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [2,0,0,0,0,0|0,0,0]=2 3912 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [2,0,0,0,0,0|1,0,0]=3 3913 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [2,0,0,0,0,0|1,0,0]=3 3914 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [2,0,0,0,0,0|1,0,0]=3 3915 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [2,0,0,0,0,0|1,0,0]=3 3916 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [2,0,0,0,0,0|1,0,0]=3 3917 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [2,0,0,0,0,0|1,0,0]=3 3918 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [2,0,0,0,0,0|2,0,0]=4 3919 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [2,0,0,0,0,0|2,0,0]=4 3920 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [2,0,0,0,0,0|2,0,0]=4 3921 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [2,0,0,0,0,0|2,0,0]=4 3922 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [2,0,0,0,0,0|2,0,0]=4 3923 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [2,0,0,0,0,0|2,0,0]=4 3924 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [2,0,0,0,0,0|2,0,0]=4 3925 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [2,0,0,0,0,0|2,0,0]=4 3926 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [2,0,0,0,0,0|2,0,0]=4 3927 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [2,0,0,0,0,0|2,0,0]=4 3928 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [2,0,0,0,0,0|2,0,0]=4 3929 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [2,0,0,0,0,0|2,0,0]=4 3930 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [2,0,0,0,0,0|2,0,0]=4 3931 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [2,0,0,0,0,0|2,0,0]=4 3932 B7R0.2 C#CC(=O)CC(C)C 1458a_100000211873_100000210624 [1,1,0,0,0,0|0,0,2]=4 3933 B7R0.2 C#CC(=O)CC(C)O 1458a_100000211873_100011218427 [1,1,0,0,0,0|0,0,2]=4 3934 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [1,1,0,0,0,0|0,0,1]=3 3935 B7R0.2 C=C(C)CC(=O)CO 1458a_100000210174_100000748629 [1,1,0,0,0,0|1,0,1]=4 3936 B7R0.2 C=C(F)CC(=O)CC 1458a_100000210414_100009893438 [1,1,0,0,0,0|0,0,2]=4 3937 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [1,1,0,0,0,0|0,0,2]=4 3938 B7R0.2 C=CC(=O)CC(C)O 1458a_100000185746_100011218427 [1,1,0,0,0,0|0,0,2]=4 3939 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [1,1,0,0,0,0|1,0,0]=3 3940 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [1,1,0,0,0,0|1,0,0]=3 3941 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [1,1,0,0,0,0|2,0,0]=4 3942 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [1,1,0,0,0,0|2,0,0]=4 3943 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [1,1,0,0,0,0|1,0,0]=3 3944 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [1,1,0,0,0,0|0,0,2]=4 3945 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [1,1,0,0,0,0|0,0,2]=4 3946 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [1,1,0,0,0,0|0,0,2]=4 3947 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [1,1,0,0,0,0|0,0,1]=3 3948 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [1,1,0,0,0,0|1,0,1]=4 3949 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [1,1,0,0,0,0|1,0,1]=4 3950 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [1,1,0,0,0,0|1,0,1]=4 3951 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [1,1,0,0,0,0|0,0,0]=2 3952 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [1,1,0,0,0,0|0,0,0]=2 3953 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [1,1,0,0,0,0|0,0,0]=2 3954 B7R0.2 CCC(=O)CC(F)F 1458a_100000210414_100011934356 [1,1,0,0,0,0|1,0,0]=3 3955 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [1,1,0,0,0,0|1,0,0]=3 3956 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [1,1,0,0,0,0|1,0,0]=3 3957 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [1,1,0,0,0,0|0,0,0]=2 3958 B7R0.2 CCC(=O)C[N+](=O)[O-] 1458a_100000210414_100000761209 [1,1,0,0,0,0|2,0,0]=4 3959 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [1,1,0,0,0,0|1,0,0]=3 3960 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [1,1,0,0,0,0|1,0,0]=3 3961 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [1,1,0,0,0,0|1,0,0]=3 3962 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [1,1,0,0,0,0|1,0,0]=3 3963 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [1,1,0,0,0,0|1,0,0]=3 3964 B7R0.2 CCN(C)CC(C)C 2230a_100000225621_100000210760 [1,1,0,0,0,0|2,0,0]=4 3965 B7R0.2 CCN(C)CC(C)C 2230a_100000738554_200000210301 [1,1,0,0,0,0|2,0,0]=4 3966 B7R0.2 CCN(C)CC(C)C 2230a_100000747067_100000210202 [1,1,0,0,0,0|2,0,0]=4 3967 B7R0.2 CCN(C)CC(C)C 269982a_100000225621_100000210624 [1,1,0,0,0,0|2,0,0]=4 3968 B7R0.2 CCN(C)CC(C)C 269982a_100000738554_200000210301 [1,1,0,0,0,0|2,0,0]=4 3969 B7R0.2 CCN(C)CC(C)C 269982a_100000747067_100000204670 [1,1,0,0,0,0|2,0,0]=4 3970 B7R0.2 CCN(C)CC(C)O 2230a_100000225621_100011218427 [1,1,0,0,0,0|2,0,0]=4 3971 B7R0.2 CCN(C)CC(C)O 2230a_100000227577_100000210202 [1,1,0,0,0,0|2,0,0]=4 3972 B7R0.2 CCN(C)CC(C)O 269982a_100000225621_100011218427 [1,1,0,0,0,0|2,0,0]=4 3973 B7R0.2 CCN(C)CC(C)O 269982a_100000227577_100000204670 [1,1,0,0,0,0|2,0,0]=4 3974 B7R0.2 CCN(C)C[C@@H](C)O 2230a_100000225621_100009817552 [1,1,0,0,0,0|2,0,0]=4 3975 B7R0.2 CCN(C)C[C@@H](C)O 269982a_100000225621_100009817552 [1,1,0,0,0,0|2,0,0]=4 3976 B7R0.2 CCN(C)C[C@H](C)O 2230a_100000729506_200000210301 [1,1,0,0,0,0|2,0,0]=4 3977 B7R0.2 CCN(C)C[C@H](C)O 269982a_100000729506_200000210301 [1,1,0,0,0,0|2,0,0]=4 3978 B7R0.2 CCN([13CH3])CC(C)C 2230a_100000738554_200025704644 [1,1,0,0,0,0|2,0,0]=4 3979 B7R0.2 CCN([13CH3])CC(C)C 269982a_100000738554_200025704644 [1,1,0,0,0,0|2,0,0]=4 3980 B7R0.2 CCN([13CH3])C[C@H](C)O 2230a_100000729506_200025704644 [1,1,0,0,0,0|2,0,0]=4 3981 B7R0.2 CCN([13CH3])C[C@H](C)O 269982a_100000729506_200025704644 [1,1,0,0,0,0|2,0,0]=4 3982 B7R0.2 CN(C)CC(=O)CF 1458a_100000750896_100015361967 [1,1,0,0,0,0|2,0,0]=4 3983 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [1,1,0,0,0,0|1,0,1]=4 3984 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [1,1,0,0,0,0|1,0,0]=3 3985 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [1,1,0,0,0,0|1,0,0]=3 3986 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [1,1,0,0,0,0|1,0,0]=3 3987 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [1,1,0,0,0,0|1,0,0]=3 3988 B7R0.2 CNC(=O)CN(C)C 11a_106832991635_100000750896 [1,1,0,0,0,0|2,0,0]=4 3989 B7R0.2 CNC(=O)CN(C)C 2230a_100000189611_200000210301 [1,1,0,0,0,0|2,0,0]=4 3990 B7R0.2 CNC(=O)CN(C)C 2230a_100102631434_100000183359 [1,1,0,0,0,0|2,0,0]=4 3991 B7R0.2 CNC(=O)CN(C)C 240690a_100102657272_100000750896 [1,1,0,0,0,0|2,0,0]=4 3992 B7R0.2 CNC(=O)CN(C)C 269982a_100102631434_100000183359 [1,1,0,0,0,0|2,0,0]=4 3993 B7R0.2 CNC(=O)CN(C)C 527a_100102657272_100000750896 [1,1,0,0,0,0|2,0,0]=4 3994 B7R0.2 CNC(=O)CN(C)[13CH3] 2230a_100000189611_200025704644 [1,1,0,0,0,0|2,0,0]=4 3995 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [1,1,0,0,0,0|1,0,0]=3 3996 B7R0.2 CNC(=O)C[S+](C)C 11a_106832991635_200159257847 [1,1,0,0,0,0|2,0,0]=4 3997 B7R0.2 CNC(=O)C[S+](C)C 1626a_100102657272_200159257847 [1,1,0,0,0,0|2,0,0]=4 3998 B7R0.2 CNC(=O)C[S+](C)C 240690a_100102657272_200159257847 [1,1,0,0,0,0|2,0,0]=4 3999 B7R0.2 CNC(=O)C[S+](C)C 527a_100102657272_200159257847 [1,1,0,0,0,0|2,0,0]=4 4000 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [1,1,0,0,0,0|2,0,0]=4 4001 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [1,1,0,0,0,0|2,0,0]=4 4002 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [1,1,0,0,0,0|2,0,0]=4 4003 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [1,1,0,0,0,0|2,0,0]=4 4004 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [1,1,0,0,0,0|2,0,0]=4 4005 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [1,1,0,0,0,0|1,0,1]=4 4006 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [1,1,0,0,0,0|1,0,1]=4 4007 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [1,1,0,0,0,0|1,0,1]=4 4008 B7R0.2 COC(=O)CN(C)C 2230a_100000198492_200000210301 [1,1,0,0,0,0|2,0,0]=4 4009 B7R0.2 COC(=O)CN(C)C 2230a_100102631434_100000747449 [1,1,0,0,0,0|2,0,0]=4 4010 B7R0.2 COC(=O)CN(C)C 269982a_100102631434_100000747449 [1,1,0,0,0,0|2,0,0]=4 4011 B7R0.2 COC(=O)CN(C)[13CH3] 2230a_100000198492_200025704644 [1,1,0,0,0,0|2,0,0]=4 4012 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [1,1,0,0,0,0|1,0,0]=3 4013 B7R0.2 C[S+](C)CC(=O)CF 1458a_200159257847_100015361967 [1,1,0,0,0,0|2,0,0]=4 4014 B7R0.2 O=C(CO)CC(F)F 1458a_100000210174_100011934356 [1,1,0,0,0,0|2,0,0]=4 4015 B7R0.5 C#CCC(=O)C(C)C 1458a_100000210198_100000184674 [1,1,0,0,0,0|0,0,2]=4 4016 B7R0.5 C#CCC(=O)C(C)C 1458a_100011220946_100000210206 [1,1,0,0,0,0|0,0,2]=4 4017 B7R0.5 C#CCC(=O)C(C)F 1458a_100000062450_100000184674 [1,1,0,0,0,0|0,0,2]=4 4018 B7R0.5 C#CCC(=O)[C@@H](C)O 1458a_100000717761_100000184674 [1,1,0,0,0,0|0,0,2]=4 4019 B7R0.5 C#CCC(=O)[C@H](C)O 1458a_217856618621_100000184674 [1,1,0,0,0,0|0,0,2]=4 4020 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [1,1,0,0,0,0|0,0,1]=3 4021 B7R0.5 C=C(C)C(=O)CCF 1458a_100000185857_100011217306 [1,1,0,0,0,0|1,0,1]=4 4022 B7R0.5 C=C(C)C(=O)CCO 1458a_100000185857_100000211926 [1,1,0,0,0,0|1,0,1]=4 4023 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [1,1,0,0,0,0|1,0,1]=4 4024 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210193_100000210206 [1,1,0,0,0,0|0,0,2]=4 4025 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210198_100000210623 [1,1,0,0,0,0|0,0,2]=4 4026 B7R0.5 C=CCC(=O)C(C)F 1458a_100000062450_100000210623 [1,1,0,0,0,0|0,0,2]=4 4027 B7R0.5 C=CCC(=O)[C@@H](C)O 1458a_100000717761_100000210623 [1,1,0,0,0,0|0,0,2]=4 4028 B7R0.5 C=CCC(=O)[C@H](C)O 1458a_217856618621_100000210623 [1,1,0,0,0,0|0,0,2]=4 4029 B7R0.5 CC#CC(=O)C(C)C 1458a_100000763181_100000210206 [1,1,0,0,0,0|0,0,2]=4 4030 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [1,1,0,0,0,0|1,0,1]=4 4031 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [1,1,0,0,0,0|1,0,1]=4 4032 B7R0.5 CC(C)C(=O)CC#N 1458a_100000210198_100011214920 [1,1,0,0,0,0|1,0,1]=4 4033 B7R0.5 CC(C)C(=O)CC#N 1458a_100051588842_100000210206 [1,1,0,0,0,0|1,0,1]=4 4034 B7R0.5 CC(C)C(=O)CCF 1458a_100000210198_100011217306 [1,1,0,0,0,0|1,0,0]=3 4035 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [1,1,0,0,0,0|1,0,0]=3 4036 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [1,1,0,0,0,0|1,0,0]=3 4037 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [1,1,0,0,0,0|1,0,0]=3 4038 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [1,1,0,0,0,0|1,0,0]=3 4039 B7R0.5 CC(F)C(=O)CC#N 1458a_100000062450_100011214920 [1,1,0,0,0,0|1,0,1]=4 4040 B7R0.5 CC(F)C(=O)CCF 1458a_100000062450_100011217306 [1,1,0,0,0,0|1,0,0]=3 4041 B7R0.5 CC(F)C(=O)CCO 1458a_100000062450_100000211926 [1,1,0,0,0,0|1,0,0]=3 4042 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [1,1,0,0,0,0|0,0,2]=4 4043 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [1,1,0,0,0,0|0,0,0]=2 4044 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [1,1,0,0,0,0|0,0,0]=2 4045 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [1,1,0,0,0,0|0,0,0]=2 4046 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [1,1,0,0,0,0|1,0,0]=3 4047 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [1,1,0,0,0,0|1,0,0]=3 4048 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [1,1,0,0,0,0|1,0,0]=3 4049 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [1,1,0,0,0,0|1,0,0]=3 4050 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [1,1,0,0,0,0|1,0,0]=3 4051 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [1,1,0,0,0,0|0,0,0]=2 4052 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [1,1,0,0,0,0|0,0,0]=2 4053 B7R0.5 CCCN(C)C(C)C 2230a_100000747261_100000210206 [1,1,0,0,0,0|2,0,0]=4 4054 B7R0.5 CCCN(C)C(C)C 2230a_106256033942_200000210301 [1,1,0,0,0,0|2,0,0]=4 4055 B7R0.5 CCCN(C)C(C)C 269982a_100000747261_100000210206 [1,1,0,0,0,0|2,0,0]=4 4056 B7R0.5 CCCN(C)C(C)C 269982a_106256033942_200000210301 [1,1,0,0,0,0|2,0,0]=4 4057 B7R0.5 CCCN(C)C(C)C 269982a_200000211004_100000210303 [1,1,0,0,0,0|2,0,0]=4 4058 B7R0.5 CCCN([13CH3])C(C)C 2230a_106256033942_200025704644 [1,1,0,0,0,0|2,0,0]=4 4059 B7R0.5 CCCN([13CH3])C(C)C 269982a_106256033942_200025704644 [1,1,0,0,0,0|2,0,0]=4 4060 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [1,1,0,0,0,0|1,0,1]=4 4061 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [1,1,0,0,0,0|1,0,1]=4 4062 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [1,1,0,0,0,0|1,0,0]=3 4063 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [1,1,0,0,0,0|1,0,0]=3 4064 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [1,1,0,0,0,0|1,0,0]=3 4065 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [1,1,0,0,0,0|1,0,0]=3 4066 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [1,1,0,0,0,0|1,0,0]=3 4067 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [1,1,0,0,0,0|1,0,0]=3 4068 B7R0.5 CCNC(=O)C(F)F 11a_100015525214_100000210393 [1,1,0,0,0,0|2,0,0]=4 4069 B7R0.5 CCNC(=O)C(F)F 240690a_100015525214_100000210393 [1,1,0,0,0,0|2,0,0]=4 4070 B7R0.5 CCNC(=O)C(F)F 527a_100015525214_100000210393 [1,1,0,0,0,0|2,0,0]=4 4071 B7R0.5 CCNC(=O)C(O)O 240690a_100015525214_100000233687 [1,1,0,0,0,0|2,0,0]=4 4072 B7R0.5 CCNC(=O)N(C)C 2708a_100015525214_100102631434 [1,1,0,0,0,0|2,0,0]=4 4073 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [1,1,0,0,0,0|1,0,0]=3 4074 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [1,1,0,0,0,0|1,0,0]=3 4075 B7R0.5 CN(C)C(=O)CCO 240690a_100102631434_100011216618 [1,1,0,0,0,0|2,0,0]=4 4076 B7R0.5 CN(C)C(=O)CN[13CH3] 2230a_100015183351_200025704644 [1,1,0,0,0,0|2,0,0]=4 4077 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_100000692301_200025704644 [1,1,0,0,0,0|2,0,0]=4 4078 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_200025704644_100000692301 [1,1,0,0,0,0|2,0,0]=4 4079 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [1,1,0,0,0,0|1,0,1]=4 4080 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [1,1,0,0,0,0|1,0,0]=3 4081 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [1,1,0,0,0,0|1,0,0]=3 4082 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [1,1,0,0,0,0|1,0,0]=3 4083 B7R0.5 CNCC(=O)N(C)C 2230a_100015183351_200000210301 [1,1,0,0,0,0|2,0,0]=4 4084 B7R0.5 CNCC(=O)N(C)C 2230a_106832991635_100000185267 [1,1,0,0,0,0|2,0,0]=4 4085 B7R0.5 CNCC(=O)N(C)C 34a_100102657272_100000692301 [1,1,0,0,0,0|2,0,0]=4 4086 B7R0.5 CNCC(=O)N(C)C 7a_106832991635_100000692301 [1,1,0,0,0,0|2,0,0]=4 4087 B7R0.5 CNNC(=O)C(C)C 22a_100016993582_100000210198 [1,1,0,0,0,0|2,0,0]=4 4088 B7R0.5 CNNC(=O)C(C)F 22a_100016993582_100000062450 [1,1,0,0,0,0|2,0,0]=4 4089 B7R0.5 CNNC(=O)[C@@H](C)O 22a_100016993582_100000717761 [1,1,0,0,0,0|2,0,0]=4 4090 B7R0.5 CNNC(=O)[C@H](C)O 22a_100016993582_217856618621 [1,1,0,0,0,0|2,0,0]=4 4091 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [1,1,0,0,0,0|1,0,1]=4 4092 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [1,1,0,0,0,0|1,0,0]=3 4093 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [1,1,0,0,0,0|1,0,0]=3 4094 B7R0.5 COCC(=O)N(C)C 11a_100102631434_100000210968 [1,1,0,0,0,0|2,0,0]=4 4095 B7R0.5 COCC(=O)N(C)C 1626a_100102631434_100000210968 [1,1,0,0,0,0|2,0,0]=4 4096 B7R0.5 COCC(=O)N(C)C 240690a_100102631434_100000210968 [1,1,0,0,0,0|2,0,0]=4 4097 B7R0.5 COCC(=O)N(C)C 34a_100138415774_100000692301 [1,1,0,0,0,0|2,0,0]=4 4098 B7R0.5 COCC(=O)N(C)C 527a_100102631434_100000210968 [1,1,0,0,0,0|2,0,0]=4 4099 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [1,1,0,0,0,0|1,0,1]=4 4100 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [1,1,0,0,0,0|1,0,1]=4 4101 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [1,1,0,0,0,0|1,0,0]=3 4102 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [1,1,0,0,0,0|1,0,0]=3 4103 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [1,1,0,0,0,0|1,0,0]=3 4104 B7R0.5 CSCC(=O)N(C)C 11a_100102631434_100000184570 [1,1,0,0,0,0|2,0,0]=4 4105 B7R0.5 CSCC(=O)N(C)C 1626a_100102631434_100000184570 [1,1,0,0,0,0|2,0,0]=4 4106 B7R0.5 CSCC(=O)N(C)C 240690a_100102631434_100000184570 [1,1,0,0,0,0|2,0,0]=4 4107 B7R0.5 CSCC(=O)N(C)C 527a_100102631434_100000184570 [1,1,0,0,0,0|2,0,0]=4 4108 B7R0.5 CSCC(=O)N(C)C 62a_100000692301_200000210301 [1,1,0,0,0,0|2,0,0]=4 4109 B7R0.5 CSCC(=O)N(C)C 62a_200000210301_100000692301 [1,1,0,0,0,0|2,0,0]=4 4110 B7R0.5 C[C@@H](O)C(=O)CC#N 1458a_100000717761_100011214920 [1,1,0,0,0,0|1,0,1]=4 4111 B7R0.5 C[C@@H](O)C(=O)CCF 1458a_100000717761_100011217306 [1,1,0,0,0,0|1,0,0]=3 4112 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [1,1,0,0,0,0|1,0,0]=3 4113 B7R0.5 C[C@H](O)C(=O)CC#N 1458a_217856618621_100011214920 [1,1,0,0,0,0|1,0,1]=4 4114 B7R0.5 C[C@H](O)C(=O)CCF 1458a_217856618621_100011217306 [1,1,0,0,0,0|1,0,0]=3 4115 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [1,1,0,0,0,0|1,0,0]=3 4116 B7R0.5 O=C(CCF)C(O)O 1458a_100000233687_100011217306 [1,1,0,0,0,0|2,0,0]=4 4117 B7R0.5 O=C(CCO)C(O)O 1458a_100000233687_100000211926 [1,1,0,0,0,0|2,0,0]=4 4118 B7R0.7 C#CCC(=O)CCC 1458a_100000211992_100000184674 [1,1,0,0,0,0|0,0,1]=3 4119 B7R0.7 C#CCC(=O)CCC 1458a_100011220946_100000210303 [1,1,0,0,0,0|0,0,1]=3 4120 B7R0.7 C#CCC(=O)CCF 1458a_100011220946_100011217306 [1,1,0,0,0,0|0,0,2]=4 4121 B7R0.7 C#CCC(=O)CCO 1458a_100011216618_100000184674 [1,1,0,0,0,0|0,0,2]=4 4122 B7R0.7 C#CCC(=O)CCO 1458a_100011220946_100000211926 [1,1,0,0,0,0|0,0,2]=4 4123 B7R0.7 C#CCC(=O)COC 1458a_100000210968_100000184674 [1,1,0,0,0,0|0,0,2]=4 4124 B7R0.7 C#CCC(=O)CSC 1458a_100000184570_100000184674 [1,1,0,0,0,0|0,0,2]=4 4125 B7R0.7 C#CCC(=O)NCC 527a_100015525214_100011220946 [1,1,0,0,0,0|0,0,2]=4 4126 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [1,1,0,0,0,0|0,0,1]=3 4127 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [1,1,0,0,0,0|0,0,1]=3 4128 B7R0.7 C=CCC(=O)CCF 1458a_100000210193_100011217306 [1,1,0,0,0,0|0,0,2]=4 4129 B7R0.7 C=CCC(=O)CCO 1458a_100000210193_100000211926 [1,1,0,0,0,0|0,0,2]=4 4130 B7R0.7 C=CCC(=O)CCO 1458a_100011216618_100000210623 [1,1,0,0,0,0|0,0,2]=4 4131 B7R0.7 C=CCC(=O)COC 1458a_100000210968_100000210623 [1,1,0,0,0,0|0,0,2]=4 4132 B7R0.7 C=CCC(=O)CSC 1458a_100000184570_100000210623 [1,1,0,0,0,0|0,0,2]=4 4133 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [1,1,0,0,0,0|0,0,2]=4 4134 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [1,1,0,0,0,0|0,0,2]=4 4135 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [1,1,0,0,0,0|0,0,2]=4 4136 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [1,1,0,0,0,0|0,0,1]=3 4137 B7R0.7 CC#CC(=O)CCF 1458a_100000763181_100011217306 [1,1,0,0,0,0|0,0,2]=4 4138 B7R0.7 CC#CC(=O)CCO 1458a_100000763181_100000211926 [1,1,0,0,0,0|0,0,2]=4 4139 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [1,1,0,0,0,0|0,0,1]=3 4140 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [1,1,0,0,0,0|0,0,2]=4 4141 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [1,1,0,0,0,0|0,0,2]=4 4142 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [1,1,0,0,0,0|0,0,2]=4 4143 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [1,1,0,0,0,0|0,0,2]=4 4144 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [1,1,0,0,0,0|0,0,2]=4 4145 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [1,1,0,0,0,0|0,0,2]=4 4146 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [1,1,0,0,0,0|0,0,2]=4 4147 B7R0.7 CCCC(=O)CC#N 1458a_100000211992_100011214920 [1,1,0,0,0,0|0,0,1]=3 4148 B7R0.7 CCCC(=O)CC#N 1458a_100051588842_100000210303 [1,1,0,0,0,0|0,0,1]=3 4149 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [1,1,0,0,0,0|0,0,0]=2 4150 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [1,1,0,0,0,0|0,0,0]=2 4151 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [1,1,0,0,0,0|0,0,0]=2 4152 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [1,1,0,0,0,0|0,0,0]=2 4153 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [1,1,0,0,0,0|0,0,0]=2 4154 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [1,1,0,0,0,0|0,0,0]=2 4155 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [1,1,0,0,0,0|0,0,0]=2 4156 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [1,1,0,0,0,0|0,0,0]=2 4157 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [1,1,0,0,0,0|0,0,0]=2 4158 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [1,1,0,0,0,0|0,0,0]=2 4159 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [1,1,0,0,0,0|0,0,0]=2 4160 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [1,1,0,0,0,0|0,0,0]=2 4161 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [1,1,0,0,0,0|0,0,0]=2 4162 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [1,1,0,0,0,0|0,0,0]=2 4163 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [1,1,0,0,0,0|0,0,0]=2 4164 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [1,1,0,0,0,0|1,0,0]=3 4165 B7R0.7 CCCC(C)CNC 2230a_106832991635_100011216630 [1,1,0,0,0,0|1,0,1]=4 4166 B7R0.7 CCCC(C)CNC 270004a_106832991635_100000243154 [1,1,0,0,0,0|1,0,1]=4 4167 B7R0.7 CCCC(C)CNC 34a_100102657272_100011216630 [1,1,0,0,0,0|1,0,1]=4 4168 B7R0.7 CCCC(C)CNC 7a_106832991635_100011216630 [1,1,0,0,0,0|1,0,1]=4 4169 B7R0.7 CCCC(C)COC 34a_100000688023_200000210301 [1,1,0,0,0,0|1,0,1]=4 4170 B7R0.7 CCCC(C)COC 34a_100138415774_100011216630 [1,1,0,0,0,0|1,0,1]=4 4171 B7R0.7 CCCC(C)COC 7a_100000688023_200000210301 [1,1,0,0,0,0|1,0,1]=4 4172 B7R0.7 CCCC(C)CO[13CH3] 34a_100000688023_200025704644 [1,1,0,0,0,0|1,0,1]=4 4173 B7R0.7 CCCC(C)CO[13CH3] 7a_100000688023_200025704644 [1,1,0,0,0,0|1,0,1]=4 4174 B7R0.7 CCCC(C)CSC 62a_100011216630_200000210301 [1,1,0,0,0,0|1,0,1]=4 4175 B7R0.7 CCCC(C)CSC 62a_200000210301_100011216630 [1,1,0,0,0,0|1,0,1]=4 4176 B7R0.7 CCCC(C)CS[13CH3] 62a_100011216630_200025704644 [1,1,0,0,0,0|1,0,1]=4 4177 B7R0.7 CCCC(C)CS[13CH3] 62a_200025704644_100011216630 [1,1,0,0,0,0|1,0,1]=4 4178 B7R0.7 CCCC(C)NCC 2230a_100000741246_100000210202 [1,1,0,0,0,0|1,0,1]=4 4179 B7R0.7 CCCC(C)NCC 2230a_100015525214_100000766640 [1,1,0,0,0,0|1,0,1]=4 4180 B7R0.7 CCCC(C)NCC 270004a_100015525214_100000211909 [1,1,0,0,0,0|1,0,1]=4 4181 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [1,1,0,0,0,0|1,0,1]=4 4182 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [1,1,0,0,0,0|1,0,1]=4 4183 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [1,1,0,0,0,0|1,0,1]=4 4184 B7R0.7 CCCC(C)SCC 62a_100000210202_100000766640 [1,1,0,0,0,0|1,0,1]=4 4185 B7R0.7 CCCC(C)SCC 62a_100000766640_100000210202 [1,1,0,0,0,0|1,0,1]=4 4186 B7R0.7 CCCN(C)CCC 2230a_100000210455_200000210301 [1,1,0,0,0,0|2,0,0]=4 4187 B7R0.7 CCCN(C)CCC 2230a_100000747261_100000210303 [1,1,0,0,0,0|2,0,0]=4 4188 B7R0.7 CCCN(C)CCC 269982a_100000210455_200000210301 [1,1,0,0,0,0|2,0,0]=4 4189 B7R0.7 CCCN(C)CCC 269982a_100000747261_100000210303 [1,1,0,0,0,0|2,0,0]=4 4190 B7R0.7 CCCN(C)CCF 2230a_100000747261_100011217306 [1,1,0,0,0,0|2,0,0]=4 4191 B7R0.7 CCCN(C)CCF 269982a_100000747261_100011217306 [1,1,0,0,0,0|2,0,0]=4 4192 B7R0.7 CCCN(C)CCO 2230a_100000210263_100000210303 [1,1,0,0,0,0|2,0,0]=4 4193 B7R0.7 CCCN(C)CCO 2230a_100000211420_200000210301 [1,1,0,0,0,0|2,0,0]=4 4194 B7R0.7 CCCN(C)CCO 2230a_100000747261_100000211926 [1,1,0,0,0,0|2,0,0]=4 4195 B7R0.7 CCCN(C)CCO 269982a_100000210263_100000210303 [1,1,0,0,0,0|2,0,0]=4 4196 B7R0.7 CCCN(C)CCO 269982a_100000211420_200000210301 [1,1,0,0,0,0|2,0,0]=4 4197 B7R0.7 CCCN(C)CCO 269982a_100000747261_100000211926 [1,1,0,0,0,0|2,0,0]=4 4198 B7R0.7 CCCN(C)COC 2230a_100000747261_100000766300 [1,1,0,0,0,0|2,0,0]=4 4199 B7R0.7 CCCN(C)COC 269982a_100000747261_100000766300 [1,1,0,0,0,0|2,0,0]=4 4200 B7R0.7 CCCN(C)CSC 2230a_100000747261_100011218213 [1,1,0,0,0,0|2,0,0]=4 4201 B7R0.7 CCCN(C)CSC 269982a_100000747261_100011218213 [1,1,0,0,0,0|2,0,0]=4 4202 B7R0.7 CCCN([13CH3])CCC 2230a_100000210455_200025704644 [1,1,0,0,0,0|2,0,0]=4 4203 B7R0.7 CCCN([13CH3])CCC 269982a_100000210455_200025704644 [1,1,0,0,0,0|2,0,0]=4 4204 B7R0.7 CCCN([13CH3])CCO 2230a_100000211420_200025704644 [1,1,0,0,0,0|2,0,0]=4 4205 B7R0.7 CCCN([13CH3])CCO 269982a_100000211420_200025704644 [1,1,0,0,0,0|2,0,0]=4 4206 B7R0.7 CCC[C@H](N)COC 34a_100000732646_200000210301 [1,1,0,0,0,0|1,0,1]=4 4207 B7R0.7 CCC[C@H](N)CO[13CH3] 34a_100000732646_200025704644 [1,1,0,0,0,0|1,0,1]=4 4208 B7R0.7 CCNC(=O)CC#N 240690a_100015525214_100051588842 [1,1,0,0,0,0|1,0,1]=4 4209 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [1,1,0,0,0,0|1,0,0]=3 4210 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [1,1,0,0,0,0|1,0,0]=3 4211 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [1,1,0,0,0,0|1,0,0]=3 4212 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [1,1,0,0,0,0|1,0,0]=3 4213 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [1,1,0,0,0,0|1,0,0]=3 4214 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [1,1,0,0,0,0|1,0,0]=3 4215 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [1,1,0,0,0,0|1,0,0]=3 4216 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [1,1,0,0,0,0|1,0,0]=3 4217 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [1,1,0,0,0,0|1,0,0]=3 4218 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [1,1,0,0,0,0|1,0,0]=3 4219 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [1,1,0,0,0,0|1,0,0]=3 4220 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [1,1,0,0,0,0|1,0,0]=3 4221 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [1,1,0,0,0,0|1,0,0]=3 4222 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [1,1,0,0,0,0|1,0,0]=3 4223 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [1,1,0,0,0,0|1,0,0]=3 4224 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [1,1,0,0,0,0|1,0,0]=3 4225 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [1,1,0,0,0,0|1,0,0]=3 4226 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [1,1,0,0,0,0|1,0,0]=3 4227 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [1,1,0,0,0,0|1,0,0]=3 4228 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [1,1,0,0,0,0|1,0,0]=3 4229 B7R0.7 CCNC(=O)NNC 273464a_100015525214_100016993582 [1,1,0,0,0,0|2,0,0]=4 4230 B7R0.7 CCNC(=O)NNC 512a_100015525214_100016993582 [1,1,0,0,0,0|2,0,0]=4 4231 B7R0.7 CCNC(=O)NNC 512a_100016993582_100015525214 [1,1,0,0,0,0|2,0,0]=4 4232 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [1,1,0,0,0,0|1,0,0]=3 4233 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [1,1,0,0,0,0|1,0,0]=3 4234 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [1,1,0,0,0,0|1,0,0]=3 4235 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [1,1,0,0,0,0|1,0,0]=3 4236 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [1,1,0,0,0,0|1,0,0]=3 4237 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [1,1,0,0,0,0|1,0,0]=3 4238 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [1,1,0,0,0,0|1,0,0]=3 4239 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [1,1,0,0,0,0|1,0,0]=3 4240 B7R0.7 CNCC(=O)NCO 2230a_106832991635_100000185155 [1,1,0,0,0,0|2,0,0]=4 4241 B7R0.7 CNCC(=O)NCO 34a_100102657272_100000185155 [1,1,0,0,0,0|2,0,0]=4 4242 B7R0.7 CNCC(=O)NCO 7a_106832991635_100000185155 [1,1,0,0,0,0|2,0,0]=4 4243 B7R0.7 CNNC(=O)CCO 22a_100016993582_100011216618 [1,1,0,0,0,0|2,0,0]=4 4244 B7R0.7 CNNC(=O)COC 22a_100016993582_100000210968 [1,1,0,0,0,0|2,0,0]=4 4245 B7R0.7 CNNC(=O)CSC 22a_100016993582_100000184570 [1,1,0,0,0,0|2,0,0]=4 4246 B7R0.7 COCC(=O)CC#N 1458a_100000210968_100011214920 [1,1,0,0,0,0|1,0,1]=4 4247 B7R0.7 COCC(=O)CCF 1458a_100000210968_100011217306 [1,1,0,0,0,0|1,0,0]=3 4248 B7R0.7 COCC(=O)CCO 1458a_100000210968_100000211926 [1,1,0,0,0,0|1,0,0]=3 4249 B7R0.7 COCC(=O)NCO 34a_100138415774_100000185155 [1,1,0,0,0,0|2,0,0]=4 4250 B7R0.7 CSCC(=O)CC#N 1458a_100000184570_100011214920 [1,1,0,0,0,0|1,0,1]=4 4251 B7R0.7 CSCC(=O)CCF 1458a_100000184570_100011217306 [1,1,0,0,0,0|1,0,0]=3 4252 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [1,1,0,0,0,0|1,0,0]=3 4253 B7R0.7 CSCC(=O)NCO 62a_100000185155_200000210301 [1,1,0,0,0,0|2,0,0]=4 4254 B7R0.7 CSCC(=O)NCO 62a_200000210301_100000185155 [1,1,0,0,0,0|2,0,0]=4 4255 B7R0.7 N#CCC(=O)CCF 1458a_100051588842_100011217306 [1,1,0,0,0,0|1,0,1]=4 4256 B7R0.7 N#CCC(=O)CCO 1458a_100011216618_100011214920 [1,1,0,0,0,0|1,0,1]=4 4257 B7R0.7 N#CCC(=O)CCO 1458a_100051588842_100000211926 [1,1,0,0,0,0|1,0,1]=4 4258 B7R0.7 O=C(CCO)CCF 1458a_100011216618_100011217306 [1,1,0,0,0,0|1,0,0]=3 4259 B7R0.7 O=C(CCO)CCO 1458a_100011216618_100000211926 [1,1,0,0,0,0|1,0,0]=3 4260 B7R0.7 [13CH3]SCC(=O)NCO 62a_100000185155_200025704644 [1,1,0,0,0,0|2,0,0]=4 4261 B7R0.7 [13CH3]SCC(=O)NCO 62a_200025704644_100000185155 [1,1,0,0,0,0|2,0,0]=4 4262 B7R0.10 C#CC(=O)C(C)CC 1458a_100000211873_100000758301 [1,1,0,0,0,0|0,0,2]=4 4263 B7R0.10 C#CC(C)C(=O)CC 1458a_100000210414_200000035995 [1,1,0,0,0,0|0,0,2]=4 4264 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [1,1,0,0,0,0|0,0,2]=4 4265 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [1,1,0,0,0,0|0,0,2]=4 4266 B7R0.10 C=CC(C)C(=O)CC 1458a_100011216780_100000210202 [1,1,0,0,0,0|0,0,2]=4 4267 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [1,1,0,0,0,0|1,0,1]=4 4268 B7R0.10 CCC(=O)C(C)C#N 1458a_100000210414_100000703298 [1,1,0,0,0,0|1,0,1]=4 4269 B7R0.10 CCC(=O)C(C)C#N 1458a_100000753662_100000210202 [1,1,0,0,0,0|1,0,1]=4 4270 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [1,1,0,0,0,0|0,0,0]=2 4271 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [1,1,0,0,0,0|0,0,0]=2 4272 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [1,1,0,0,0,0|1,0,0]=3 4273 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [1,1,0,0,0,0|1,0,0]=3 4274 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [1,1,0,0,0,0|1,0,0]=3 4275 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [1,1,0,0,0,0|1,0,0]=3 4276 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [1,1,0,0,0,0|1,0,0]=3 4277 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [1,1,0,0,0,0|1,0,0]=3 4278 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [1,1,0,0,0,0|1,0,0]=3 4279 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [1,1,0,0,0,0|1,0,0]=3 4280 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [1,1,0,0,0,0|0,0,0]=2 4281 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [1,1,0,0,0,0|1,0,0]=3 4282 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [1,1,0,0,0,0|1,0,0]=3 4283 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [1,1,0,0,0,0|1,0,0]=3 4284 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [1,1,0,0,0,0|1,0,0]=3 4285 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [1,1,0,0,0,0|1,0,0]=3 4286 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [1,1,0,0,0,0|1,0,0]=3 4287 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [1,1,0,0,0,0|1,0,0]=3 4288 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [1,1,0,0,0,0|1,0,0]=3 4289 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [1,1,0,0,0,0|1,0,0]=3 4290 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [1,1,0,0,0,0|1,0,0]=3 4291 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [1,1,0,0,0,0|1,0,0]=3 4292 B7R0.10 CCC(C)N(C)CC 2230a_100000225621_100000758301 [1,1,0,0,0,0|2,0,0]=4 4293 B7R0.10 CCC(C)N(C)CC 2230a_100000732650_200000210301 [1,1,0,0,0,0|2,0,0]=4 4294 B7R0.10 CCC(C)N(C)CC 2230a_100000741768_100000210202 [1,1,0,0,0,0|2,0,0]=4 4295 B7R0.10 CCC(C)N(C)CC 269982a_100000225621_100000758301 [1,1,0,0,0,0|2,0,0]=4 4296 B7R0.10 CCC(C)N(C)CC 269982a_100000732650_200000210301 [1,1,0,0,0,0|2,0,0]=4 4297 B7R0.10 CCC(C)N(C)CC 269982a_100000741768_100000204670 [1,1,0,0,0,0|2,0,0]=4 4298 B7R0.10 CCC(C)N([13CH3])CC 2230a_100000732650_200025704644 [1,1,0,0,0,0|2,0,0]=4 4299 B7R0.10 CCC(C)N([13CH3])CC 269982a_100000732650_200025704644 [1,1,0,0,0,0|2,0,0]=4 4300 B7R0.10 CCC(O)C(=O)CF 1458a_100011196387_100015361967 [1,1,0,0,0,0|1,0,0]=3 4301 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [1,1,0,0,0,0|1,0,0]=3 4302 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [1,1,0,0,0,0|2,0,0]=4 4303 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [1,1,0,0,0,0|2,0,0]=4 4304 B7R0.10 CCN(C)C(=O)NC 2708a_100102657272_100000225621 [1,1,0,0,0,0|2,0,0]=4 4305 B7R0.10 CCN(C)C(=O)NC 273464a_100102657272_100000225621 [1,1,0,0,0,0|2,0,0]=4 4306 B7R0.10 CNC(=O)C(C)NC 2230a_106832991635_100000731044 [1,1,0,0,0,0|2,0,0]=4 4307 B7R0.10 CNC(=O)C(C)NC 34a_100102657272_100000731044 [1,1,0,0,0,0|2,0,0]=4 4308 B7R0.10 CNC(=O)C(C)NC 7a_106832991635_100000209862 [1,1,0,0,0,0|2,0,0]=4 4309 B7R0.10 CNC(=O)C(C)OC 11a_106832991635_100000743197 [1,1,0,0,0,0|2,0,0]=4 4310 B7R0.10 CNC(=O)C(C)OC 1626a_100102657272_100000743197 [1,1,0,0,0,0|2,0,0]=4 4311 B7R0.10 CNC(=O)C(C)OC 240690a_100102657272_100000743197 [1,1,0,0,0,0|2,0,0]=4 4312 B7R0.10 CNC(=O)C(C)OC 34a_100138415774_100000731044 [1,1,0,0,0,0|2,0,0]=4 4313 B7R0.10 CNC(=O)C(C)OC 527a_100102657272_100000743197 [1,1,0,0,0,0|2,0,0]=4 4314 B7R0.10 CNC(=O)C(C)SC 11a_106832991635_100000149566 [1,1,0,0,0,0|2,0,0]=4 4315 B7R0.10 CNC(=O)C(C)SC 1626a_100102657272_100000149566 [1,1,0,0,0,0|2,0,0]=4 4316 B7R0.10 CNC(=O)C(C)SC 240690a_100102657272_100000149566 [1,1,0,0,0,0|2,0,0]=4 4317 B7R0.10 CNC(=O)C(C)SC 527a_100102657272_100000149566 [1,1,0,0,0,0|2,0,0]=4 4318 B7R0.10 CNC(=O)C(C)SC 62a_100000209862_200000210301 [1,1,0,0,0,0|2,0,0]=4 4319 B7R0.10 CNC(=O)C(C)SC 62a_200000210301_100000731044 [1,1,0,0,0,0|2,0,0]=4 4320 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_100000209862_200025704644 [1,1,0,0,0,0|2,0,0]=4 4321 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_200025704644_100000731044 [1,1,0,0,0,0|2,0,0]=4 4322 B7R0.10 CNC(=O)C(F)NC 2230a_106832991635_100009813575 [1,1,0,0,0,0|2,0,0]=4 4323 B7R0.10 CNC(=O)C(F)NC 34a_100102657272_100009813575 [1,1,0,0,0,0|2,0,0]=4 4324 B7R0.10 CNC(=O)C(F)NC 7a_106832991635_100009813575 [1,1,0,0,0,0|2,0,0]=4 4325 B7R0.10 CNC(=O)C(F)OC 34a_100138415774_100009813575 [1,1,0,0,0,0|2,0,0]=4 4326 B7R0.10 CNC(=O)C(F)SC 62a_100009813575_200000210301 [1,1,0,0,0,0|2,0,0]=4 4327 B7R0.10 CNC(=O)C(F)SC 62a_200000210301_100009813575 [1,1,0,0,0,0|2,0,0]=4 4328 B7R0.10 CNC(=O)C(F)S[13CH3] 62a_100009813575_200025704644 [1,1,0,0,0,0|2,0,0]=4 4329 B7R0.10 CNC(=O)C(F)S[13CH3] 62a_200025704644_100009813575 [1,1,0,0,0,0|2,0,0]=4 4330 B7R0.10 CNC(=O)C(O)CO 240690a_100102657272_100011215603 [1,1,0,0,0,0|2,0,0]=4 4331 B7R0.10 CNC(=O)[C@@H](C)NC 2230a_100000684985_200000210301 [1,1,0,0,0,0|2,0,0]=4 4332 B7R0.10 CNC(=O)[C@@H](C)NC 34a_100000684985_200000210301 [1,1,0,0,0,0|2,0,0]=4 4333 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 2230a_100000684985_200025704644 [1,1,0,0,0,0|2,0,0]=4 4334 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 34a_100000684985_200025704644 [1,1,0,0,0,0|2,0,0]=4 4335 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [1,1,0,0,0,0|2,0,0]=4 4336 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [1,1,0,0,0,0|2,0,0]=4 4337 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [1,1,0,0,0,0|2,0,0]=4 4338 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [1,1,0,0,0,0|2,0,0]=4 4339 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [1,1,0,0,0,0|2,0,0]=4 4340 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [1,1,0,0,0,0|2,0,0]=4 4341 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [1,1,0,0,0,0|2,0,0]=4 4342 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [1,1,0,0,0,0|2,0,0]=4 4343 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [1,1,0,0,0,0|2,0,0]=4 4344 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [1,1,0,0,0,0|2,0,0]=4 4345 B7R0.10 COC(C)C(=O)CF 1458a_100000743197_100015361967 [1,1,0,0,0,0|2,0,0]=4 4346 B7R0.10 CSC(C)C(=O)CF 1458a_100000149566_100015361967 [1,1,0,0,0,0|2,0,0]=4 4347 B7R0.10 O=C(CF)C(O)CO 1458a_100011215603_100015361967 [1,1,0,0,0,0|2,0,0]=4 4348 B7R0.11 CCCS(=O)(=O)NC 270084a_100102657272_100000211391 [1,1,0,0,0,0|2,0,0]=4 4349 B7R0.11 CCCS(=O)(=O)NC 274078a_100102657272_100000211391 [1,1,0,0,0,0|2,0,0]=4 4350 B7R0.11 CCCS(=O)(=O)NC 40a_100102657272_100000054278 [1,1,0,0,0,0|2,0,0]=4 4351 B7R0.11 CCNS(=O)(=O)CC 270084a_100015525214_100000211323 [1,1,0,0,0,0|2,0,0]=4 4352 B7R0.11 CCNS(=O)(=O)CC 274078a_100015525214_100000211323 [1,1,0,0,0,0|2,0,0]=4 4353 B7R0.11 CCNS(=O)(=O)CC 40a_100015525214_100000053943 [1,1,0,0,0,0|2,0,0]=4 4354 B7R0.12 CCCC(CC)NC 2230a_100000747048_200000210301 [1,1,0,0,0,0|1,0,1]=4 4355 B7R0.12 CCCC(CC)NC 270004a_106832991635_100000687865 [1,1,0,0,0,0|1,0,1]=4 4356 B7R0.12 CCCC(CC)NC 7a_106832991635_100011219200 [1,1,0,0,0,0|1,0,1]=4 4357 B7R0.12 CCCC(CC)N[13CH3] 2230a_100000747048_200025704644 [1,1,0,0,0,0|1,0,1]=4 4358 B7R0.12 CCCC(CC)OC 34a_100000687864_200000210301 [1,1,0,0,0,0|0,0,2]=4 4359 B7R0.12 CCCC(CC)OC 7a_100000687864_200000210301 [1,1,0,0,0,0|0,0,2]=4 4360 B7R0.12 CCCC(CC)O[13CH3] 34a_100000687864_200025704644 [1,1,0,0,0,0|0,0,2]=4 4361 B7R0.12 CCCC(CC)O[13CH3] 7a_100000687864_200025704644 [1,1,0,0,0,0|0,0,2]=4 4362 B7R0.12 CCCC(CC)SC 62a_100011219200_200000210301 [1,1,0,0,0,0|0,1,1]=4 4363 B7R0.12 CCCC(CC)SC 62a_200000210301_100011219200 [1,1,0,0,0,0|0,1,1]=4 4364 B7R0.12 CCCC(CC)S[13CH3] 62a_100011219200_200025704644 [1,1,0,0,0,0|0,1,1]=4 4365 B7R0.12 CCCC(CC)S[13CH3] 62a_200025704644_100011219200 [1,1,0,0,0,0|0,1,1]=4 4366 B7R0.12 CCCN(CC)CC 2230a_100000226822_100000210202 [1,1,0,0,0,0|2,0,0]=4 4367 B7R0.12 CCCN(CC)CC 2230a_100000724800_100000210303 [1,1,0,0,0,0|2,0,0]=4 4368 B7R0.12 CCCN(CC)CC 269956a_100000042499_100000210207 [1,1,0,0,0,0|2,0,0]=4 4369 B7R0.12 CCCN(CC)CC 269982a_100000226822_100000204670 [1,1,0,0,0,0|2,0,0]=4 4370 B7R0.12 CCCN(CC)CC 269982a_100000724800_100000210303 [1,1,0,0,0,0|2,0,0]=4 4371 B7R0.12 CCCN(CC)CF 269982a_100000226822_100015361967 [1,1,0,0,0,0|2,0,0]=4 4372 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [1,1,0,0,0,0|0,0,1]=3 4373 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [1,1,0,0,0,0|0,0,1]=3 4374 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [1,1,0,0,0,0|0,0,1]=3 4375 B7R0.4 C#CCCNC(=O)C 11a_100000755551_100015343762 [1,1,0,0,0,0|0,0,2]=4 4376 B7R0.4 C#CCCNC(=O)C 1626a_100000755551_100015343762 [1,1,0,0,0,0|0,0,2]=4 4377 B7R0.4 C#CCCNC(=O)C 240690a_100000755551_100015343762 [1,1,0,0,0,0|0,0,2]=4 4378 B7R0.4 C#CCCNC(=O)C 527a_100000755551_100103153847 [1,1,0,0,0,0|0,0,2]=4 4379 B7R0.4 C#CCOCC(=O)C 1458a_100011251226_200000210301 [1,1,0,0,0,0|0,0,2]=4 4380 B7R0.4 C#CCOCC(=O)C 34a_100000211253_100000184674 [1,1,0,0,0,0|0,0,2]=4 4381 B7R0.4 C#CCOCC(=O)[13CH3] 1458a_100011251226_200025704644 [1,1,0,0,0,0|0,0,2]=4 4382 B7R0.4 C=C(Br)CCOCC 34a_100009813270_100000210202 [1,1,0,0,0,0|1,0,1]=4 4383 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [1,1,0,0,0,0|1,0,0]=3 4384 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [1,1,0,0,0,0|1,0,0]=3 4385 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [1,1,0,0,0,0|1,0,0]=3 4386 B7R0.4 C=C(C)CCOCF 34a_100000764851_100015361967 [1,1,0,0,0,0|2,0,0]=4 4387 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [1,1,0,0,0,0|1,0,0]=3 4388 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [1,1,0,0,0,0|1,0,0]=3 4389 B7R0.4 C=C(C)CCSCF 62a_100000730704_100015361967 [1,1,0,0,0,0|2,0,0]=4 4390 B7R0.4 C=C(C)CCSCF 62a_100015361967_100000730704 [1,1,0,0,0,0|2,0,0]=4 4391 B7R0.4 C=C(C)CNCCF 34a_100000724931_100000748629 [1,1,0,0,0,0|2,0,0]=4 4392 B7R0.4 C=C(C)CNCCO 2230a_100016997473_100000748629 [1,1,0,0,0,0|2,0,0]=4 4393 B7R0.4 C=C(C)CNCCO 34a_100016990907_100000748629 [1,1,0,0,0,0|2,0,0]=4 4394 B7R0.4 C=C(C)COCCBr 34a_100000211926_100000748629 [1,1,0,0,0,0|2,0,0]=4 4395 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [1,1,0,0,0,0|1,0,0]=3 4396 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [1,1,0,0,0,0|1,0,0]=3 4397 B7R0.4 C=C(C)COCCF 34a_100000210245_100011217306 [1,1,0,0,0,0|2,0,0]=4 4398 B7R0.4 C=C(C)COCCN 34a_100000210304_100000748629 [1,1,0,0,0,0|2,0,0]=4 4399 B7R0.4 C=C(C)COCCO 34a_100000210245_100000211926 [1,1,0,0,0,0|2,0,0]=4 4400 B7R0.4 C=C(C)COCSC 34a_100000210245_100011218213 [1,1,0,0,0,0|2,0,0]=4 4401 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [1,1,0,0,0,0|1,0,0]=3 4402 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [1,1,0,0,0,0|1,0,0]=3 4403 B7R0.4 C=C(C)CSCCF 62a_100000748629_100011217306 [1,1,0,0,0,0|2,0,0]=4 4404 B7R0.4 C=C(C)CSCCF 62a_100011217306_100000211660 [1,1,0,0,0,0|2,0,0]=4 4405 B7R0.4 C=C(C)CSCCO 62a_100000211926_100000211660 [1,1,0,0,0,0|2,0,0]=4 4406 B7R0.4 C=C(C)CSCCO 62a_100000748629_100000211926 [1,1,0,0,0,0|2,0,0]=4 4407 B7R0.4 C=C(C)CSCOC 62a_100000748629_100000766300 [1,1,0,0,0,0|2,0,0]=4 4408 B7R0.4 C=C(C)CSCOC 62a_100000766300_100000211660 [1,1,0,0,0,0|2,0,0]=4 4409 B7R0.4 C=C(C)CSCSC 62a_100000748629_100011218213 [1,1,0,0,0,0|2,0,0]=4 4410 B7R0.4 C=C(C)CSCSC 62a_100011218213_100000211660 [1,1,0,0,0,0|2,0,0]=4 4411 B7R0.4 C=C(F)COCCC 34a_100000210258_100009893438 [1,1,0,0,0,0|1,0,1]=4 4412 B7R0.4 C=C(F)COCCC 34a_200010262243_100000210303 [1,1,0,0,0,0|1,0,1]=4 4413 B7R0.4 C=C(F)CSCCC 62a_100000042424_100000210303 [1,1,0,0,0,0|1,0,1]=4 4414 B7R0.4 C=C(F)CSCCC 62a_100000210303_100000042424 [1,1,0,0,0,0|1,0,1]=4 4415 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [1,1,0,0,0,0|0,0,1]=3 4416 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [1,1,0,0,0,0|0,0,1]=3 4417 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [1,1,0,0,0,0|0,0,1]=3 4418 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [1,1,0,0,0,0|0,0,2]=4 4419 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [1,1,0,0,0,0|0,0,2]=4 4420 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [1,1,0,0,0,0|0,0,2]=4 4421 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [1,1,0,0,0,0|0,0,2]=4 4422 B7R0.4 C=CCOCC(=O)C 34a_100000211253_100015514636 [1,1,0,0,0,0|0,0,2]=4 4423 B7R0.4 C=CCSCC(=O)C 1458a_100000230395_200000210301 [1,1,0,0,0,0|0,0,2]=4 4424 B7R0.4 C=CCSCC(=O)[13CH3] 1458a_100000230395_200025704644 [1,1,0,0,0,0|0,0,2]=4 4425 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [1,1,0,0,0,0|0,0,2]=4 4426 B7R0.4 CC#CCNC(=O)C 11a_100000685387_100015343762 [1,1,0,0,0,0|0,0,2]=4 4427 B7R0.4 CC#CCNC(=O)C 1626a_100000685387_100015343762 [1,1,0,0,0,0|0,0,2]=4 4428 B7R0.4 CC#CCNC(=O)C 527a_100000685387_100103153847 [1,1,0,0,0,0|0,0,2]=4 4429 B7R0.4 CC(=CCCS[13CH3])C 62a_100011217483_200025704644 [1,1,0,0,0,0|1,0,1]=4 4430 B7R0.4 CC(=CCCS[13CH3])C 62a_200025704644_100011217483 [1,1,0,0,0,0|1,0,1]=4 4431 B7R0.4 CC(=O)CC#CCO 1458a_100000070787_200000047223 [1,1,0,0,0,0|0,0,2]=4 4432 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [1,1,0,0,0,0|0,0,1]=3 4433 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [1,1,0,0,0,0|0,0,1]=3 4434 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [1,1,0,0,0,0|0,0,0]=2 4435 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,1,0,0,0,0|0,0,0]=2 4436 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,1,0,0,0,0|0,0,0]=2 4437 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [1,1,0,0,0,0|0,0,0]=2 4438 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [1,1,0,0,0,0|0,0,0]=2 4439 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [1,1,0,0,0,0|0,0,0]=2 4440 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [1,1,0,0,0,0|0,0,0]=2 4441 B7R0.4 CC(=O)CCN=[N+]=[N-] 1458a_100000688302_200000210301 [1,1,0,0,0,0|2,0,0]=4 4442 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [1,1,0,0,0,0|1,0,0]=3 4443 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [1,1,0,0,0,0|1,0,0]=3 4444 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [1,1,0,0,0,0|1,0,0]=3 4445 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [1,1,0,0,0,0|1,0,0]=3 4446 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [1,1,0,0,0,0|1,0,1]=4 4447 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [1,1,0,0,0,0|1,0,0]=3 4448 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [1,1,0,0,0,0|1,0,0]=3 4449 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [1,1,0,0,0,0|1,0,0]=3 4450 B7R0.4 CC(=O)CSCC#N 1458a_100000150266_200000210301 [1,1,0,0,0,0|1,0,1]=4 4451 B7R0.4 CC(=O)NCCC#N 11a_100000720768_100015343762 [1,1,0,0,0,0|1,0,1]=4 4452 B7R0.4 CC(=O)NCCC#N 1626a_100000720768_100015343762 [1,1,0,0,0,0|1,0,1]=4 4453 B7R0.4 CC(=O)NCCC#N 240690a_100000720768_100015343762 [1,1,0,0,0,0|1,0,1]=4 4454 B7R0.4 CC(=O)NCCC#N 527a_100000720768_100103153847 [1,1,0,0,0,0|1,0,1]=4 4455 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [1,1,0,0,0,0|1,0,0]=3 4456 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [1,1,0,0,0,0|1,0,0]=3 4457 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [1,1,0,0,0,0|1,0,0]=3 4458 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [1,1,0,0,0,0|1,0,0]=3 4459 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [1,1,0,0,0,0|1,0,0]=3 4460 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [1,1,0,0,0,0|1,0,0]=3 4461 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [1,1,0,0,0,0|1,0,0]=3 4462 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [1,1,0,0,0,0|1,0,0]=3 4463 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [1,1,0,0,0,0|1,0,0]=3 4464 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [1,1,0,0,0,0|1,0,0]=3 4465 B7R0.4 CC(=O)NNCCO 22a_100000210001_100000070787 [1,1,0,0,0,0|2,0,0]=4 4466 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [1,1,0,0,0,0|1,0,0]=3 4467 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [1,1,0,0,0,0|1,0,0]=3 4468 B7R0.4 CC(=O)OCSCF 62a_100000076356_100015361967 [1,1,0,0,0,0|2,0,0]=4 4469 B7R0.4 CC(=O)OCSCF 62a_100015361967_100000076356 [1,1,0,0,0,0|2,0,0]=4 4470 B7R0.4 CC(C)CCCN[13CH3] 2230a_200000737386_200025704644 [1,1,0,0,0,0|1,0,1]=4 4471 B7R0.4 CC(C)CCCN[13CH3] 34a_200000737386_200025704644 [1,1,0,0,0,0|1,0,1]=4 4472 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [1,1,0,0,0,0|1,0,1]=4 4473 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [1,1,0,0,0,0|1,0,1]=4 4474 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [1,1,0,0,0,0|1,0,1]=4 4475 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [1,1,0,0,0,0|1,0,1]=4 4476 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [1,1,0,0,0,0|0,0,2]=4 4477 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [1,1,0,0,0,0|0,0,2]=4 4478 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,1,0,0,0,0|0,0,1]=3 4479 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,1,0,0,0,0|0,0,1]=3 4480 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,1,0,0,0,0|0,0,1]=3 4481 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [1,1,0,0,0,0|0,0,1]=3 4482 B7R0.4 CCC=NNC(=O)C 4a_100000189765_100000210100 [1,1,0,0,0,0|1,0,1]=4 4483 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [1,1,0,0,0,0|0,0,1]=3 4484 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [1,1,0,0,0,0|0,0,1]=3 4485 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [1,1,0,0,0,0|0,0,1]=3 4486 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [1,1,0,0,0,0|0,0,1]=3 4487 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,1,0,0,0,0|0,0,0]=2 4488 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,1,0,0,0,0|0,0,0]=2 4489 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,1,0,0,0,0|0,0,0]=2 4490 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [1,1,0,0,0,0|2,0,0]=4 4491 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [1,1,0,0,0,0|2,0,0]=4 4492 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [1,1,0,0,0,0|2,0,0]=4 4493 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [1,1,0,0,0,0|2,0,0]=4 4494 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [1,1,0,0,0,0|2,0,0]=4 4495 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [1,1,0,0,0,0|2,0,0]=4 4496 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,1,0,0,0,0|0,0,0]=2 4497 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,1,0,0,0,0|0,0,0]=2 4498 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,1,0,0,0,0|0,0,0]=2 4499 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,1,0,0,0,0|0,0,0]=2 4500 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [1,1,0,0,0,0|1,0,1]=4 4501 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [1,1,0,0,0,0|1,0,1]=4 4502 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [1,1,0,0,0,0|1,0,1]=4 4503 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [1,1,0,0,0,0|1,0,1]=4 4504 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [1,1,0,0,0,0|1,0,1]=4 4505 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [1,1,0,0,0,0|1,0,1]=4 4506 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [1,1,0,0,0,0|1,0,1]=4 4507 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [1,1,0,0,0,0|1,0,1]=4 4508 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [1,1,0,0,0,0|1,0,1]=4 4509 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [1,1,0,0,0,0|1,0,0]=3 4510 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,1,0,0,0,0|1,0,0]=3 4511 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [1,1,0,0,0,0|1,0,1]=4 4512 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [1,1,0,0,0,0|1,0,1]=4 4513 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [1,1,0,0,0,0|1,0,1]=4 4514 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [1,1,0,0,0,0|0,0,2]=4 4515 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [1,1,0,0,0,0|0,0,2]=4 4516 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [1,1,0,0,0,0|1,0,0]=3 4517 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [1,1,0,0,0,0|0,0,0]=2 4518 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [1,1,0,0,0,0|0,0,0]=2 4519 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [1,1,0,0,0,0|1,0,0]=3 4520 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [1,1,0,0,0,0|0,0,0]=2 4521 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [1,1,0,0,0,0|1,0,0]=3 4522 B7R0.4 CCCOCC(C)Br 34a_100012180447_100000210303 [1,1,0,0,0,0|1,0,1]=4 4523 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [1,1,0,0,0,0|1,0,1]=4 4524 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [1,1,0,0,0,0|1,0,1]=4 4525 B7R0.4 CCCOCC(C)F 34a_100015925927_100000210303 [1,1,0,0,0,0|1,0,1]=4 4526 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [1,1,0,0,0,0|0,0,2]=4 4527 B7R0.4 CCCOC[C@@H](C)Cl 34a_100016084084_100000210303 [1,1,0,0,0,0|1,0,1]=4 4528 B7R0.4 CCCOC[C@@H](C)N 34a_100000737577_100000210303 [1,1,0,0,0,0|1,0,1]=4 4529 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [1,1,0,0,0,0|0,0,2]=4 4530 B7R0.4 CCCOC[N+](=O)[O-] 34a_100000210258_100000761209 [1,1,0,0,0,0|2,0,0]=4 4531 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,1,0,0,0,0|0,0,0]=2 4532 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [1,1,0,0,0,0|1,0,0]=3 4533 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [1,1,0,0,0,0|1,0,0]=3 4534 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,1,0,0,0,0|0,0,0]=2 4535 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [1,1,0,0,0,0|1,0,0]=3 4536 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [1,1,0,0,0,0|1,0,0]=3 4537 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [1,1,0,0,0,0|1,0,1]=4 4538 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [1,1,0,0,0,0|1,0,1]=4 4539 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [1,1,0,0,0,0|0,0,2]=4 4540 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [1,1,0,0,0,0|0,0,2]=4 4541 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [1,1,0,0,0,0|0,0,2]=4 4542 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [1,1,0,0,0,0|0,0,2]=4 4543 B7R0.4 CCCSC[N+](=O)[O-] 62a_100000210303_100000761209 [1,1,0,0,0,0|2,0,0]=4 4544 B7R0.4 CCNCC=C(C)C 2230a_100015525214_100000761012 [1,1,0,0,0,0|1,0,1]=4 4545 B7R0.4 CCNCC=C(C)C 34a_100000718196_100000210202 [1,1,0,0,0,0|1,0,1]=4 4546 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [1,1,0,0,0,0|1,0,0]=3 4547 B7R0.4 CCNCCC(C)C 2230a_100015525214_100000210312 [1,1,0,0,0,0|1,0,1]=4 4548 B7R0.4 CCNCCC(C)C 269862a_100015525214_100000185833 [1,1,0,0,0,0|1,0,1]=4 4549 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [1,1,0,0,0,0|0,0,2]=4 4550 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [1,1,0,0,0,0|0,0,2]=4 4551 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [1,1,0,0,0,0|2,0,0]=4 4552 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [1,1,0,0,0,0|0,0,2]=4 4553 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [1,1,0,0,0,0|0,0,2]=4 4554 B7R0.4 CCOCC=C(C)C 34a_100000753907_100000210202 [1,1,0,0,0,0|1,0,1]=4 4555 B7R0.4 CCOCC=C(C)C 34a_100121572206_100000761012 [1,1,0,0,0,0|1,0,1]=4 4556 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,1,0,0,0,0|0,0,0]=2 4557 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,1,0,0,0,0|0,0,0]=2 4558 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,1,0,0,0,0|0,0,0]=2 4559 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,1,0,0,0,0|0,0,0]=2 4560 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [1,1,0,0,0,0|1,0,0]=3 4561 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [1,1,0,0,0,0|1,0,0]=3 4562 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [1,1,0,0,0,0|1,0,0]=3 4563 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,1,0,0,0,0|0,0,0]=2 4564 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [1,1,0,0,0,0|1,0,1]=4 4565 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [1,1,0,0,0,0|1,0,1]=4 4566 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [1,1,0,0,0,0|1,0,1]=4 4567 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [1,1,0,0,0,0|1,0,1]=4 4568 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [1,1,0,0,0,0|0,0,2]=4 4569 B7R0.4 CCOCCN(C)C 2230a_100102631434_100011215890 [1,1,0,0,0,0|2,0,0]=4 4570 B7R0.4 CCOCCN(C)C 269982a_100102631434_100011215890 [1,1,0,0,0,0|2,0,0]=4 4571 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [1,1,0,0,0,0|1,0,1]=4 4572 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [1,1,0,0,0,0|1,0,0]=3 4573 B7R0.4 CCSCC=C(C)C 62a_100000210202_100000761012 [1,1,0,0,0,0|1,0,1]=4 4574 B7R0.4 CCSCC=C(C)C 62a_100000761012_100000210202 [1,1,0,0,0,0|1,0,1]=4 4575 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [1,1,0,0,0,0|0,0,0]=2 4576 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [1,1,0,0,0,0|0,0,0]=2 4577 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [1,1,0,0,0,0|0,0,0]=2 4578 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [1,1,0,0,0,0|0,0,0]=2 4579 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [1,1,0,0,0,0|1,0,0]=3 4580 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [1,1,0,0,0,0|1,0,0]=3 4581 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [1,1,0,0,0,0|0,0,0]=2 4582 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [1,1,0,0,0,0|1,0,1]=4 4583 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [1,1,0,0,0,0|1,0,1]=4 4584 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [1,1,0,0,0,0|0,0,2]=4 4585 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [1,1,0,0,0,0|0,0,2]=4 4586 B7R0.4 CCSCCN(C)C 2230a_100102631434_100000757381 [1,1,0,0,0,0|2,0,0]=4 4587 B7R0.4 CCSCCN(C)C 269982a_100102631434_100000757381 [1,1,0,0,0,0|2,0,0]=4 4588 B7R0.4 CCSCCN(C)C 62a_100000210202_100000755713 [1,1,0,0,0,0|2,0,0]=4 4589 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [1,1,0,0,0,0|1,0,0]=3 4590 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [1,1,0,0,0,0|1,0,0]=3 4591 B7R0.4 CN(C)CCCCF 2230a_100102631434_100000729493 [1,1,0,0,0,0|2,0,0]=4 4592 B7R0.4 CN(C)CCCCF 269982a_100102631434_100000729493 [1,1,0,0,0,0|2,0,0]=4 4593 B7R0.4 CN(C)CCCCO 2230a_100000717598_200000210301 [1,1,0,0,0,0|2,0,0]=4 4594 B7R0.4 CN(C)CCCCO 2230a_100102631434_100000210776 [1,1,0,0,0,0|2,0,0]=4 4595 B7R0.4 CN(C)CCCCO 269982a_100000717598_200000210301 [1,1,0,0,0,0|2,0,0]=4 4596 B7R0.4 CN(C)CCCCO 269982a_100102631434_100000210776 [1,1,0,0,0,0|2,0,0]=4 4597 B7R0.4 CN(C)CCCS[13CH3] 62a_200025704644_100000757444 [1,1,0,0,0,0|2,0,0]=4 4598 B7R0.4 CN([13CH3])CCCCO 2230a_100000717598_200025704644 [1,1,0,0,0,0|2,0,0]=4 4599 B7R0.4 CN([13CH3])CCCCO 269982a_100000717598_200025704644 [1,1,0,0,0,0|2,0,0]=4 4600 B7R0.4 CNCCC=C(C)C 2230a_106832991635_100011217483 [1,1,0,0,0,0|1,0,1]=4 4601 B7R0.4 CNCCC=C(C)C 34a_100102657272_100011217483 [1,1,0,0,0,0|1,0,1]=4 4602 B7R0.4 CNCCC=C(C)C 7a_106832991635_100011217483 [1,1,0,0,0,0|1,0,1]=4 4603 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [1,1,0,0,0,0|0,0,0]=2 4604 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [1,1,0,0,0,0|0,0,0]=2 4605 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [1,1,0,0,0,0|1,0,0]=3 4606 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [1,1,0,0,0,0|1,0,0]=3 4607 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [1,1,0,0,0,0|1,0,0]=3 4608 B7R0.4 CNCCCC(C)C 2230a_106832991635_100011214892 [1,1,0,0,0,0|1,0,1]=4 4609 B7R0.4 CNCCCC(C)C 2230a_200000737386_200000210301 [1,1,0,0,0,0|1,0,1]=4 4610 B7R0.4 CNCCCC(C)C 34a_100102657272_100011214892 [1,1,0,0,0,0|1,0,1]=4 4611 B7R0.4 CNCCCC(C)C 34a_200000737386_200000210301 [1,1,0,0,0,0|1,0,1]=4 4612 B7R0.4 CNCCCC(C)C 7a_106832991635_100011214892 [1,1,0,0,0,0|1,0,1]=4 4613 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [1,1,0,0,0,0|0,0,2]=4 4614 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [1,1,0,0,0,0|0,0,2]=4 4615 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [1,1,0,0,0,0|0,0,2]=4 4616 B7R0.4 CNCCCN(C)C 7a_106832991635_100000757444 [1,1,0,0,0,0|2,0,0]=4 4617 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [1,1,0,0,0,0|1,0,0]=3 4618 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [1,1,0,0,0,0|1,0,0]=3 4619 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [1,1,0,0,0,0|1,0,0]=3 4620 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [1,1,0,0,0,0|1,0,0]=3 4621 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [1,1,0,0,0,0|2,0,0]=4 4622 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [1,1,0,0,0,0|2,0,0]=4 4623 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [1,1,0,0,0,0|2,0,0]=4 4624 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [1,1,0,0,0,0|1,0,0]=3 4625 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [1,1,0,0,0,0|1,0,0]=3 4626 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [1,1,0,0,0,0|2,0,0]=4 4627 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [1,1,0,0,0,0|2,0,0]=4 4628 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [1,1,0,0,0,0|0,0,2]=4 4629 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [1,1,0,0,0,0|0,0,2]=4 4630 B7R0.4 COCCC=C(C)C 34a_100138415774_100011217483 [1,1,0,0,0,0|1,0,1]=4 4631 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [1,1,0,0,0,0|0,0,0]=2 4632 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [1,1,0,0,0,0|0,0,0]=2 4633 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [1,1,0,0,0,0|0,0,0]=2 4634 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [1,1,0,0,0,0|0,0,0]=2 4635 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [1,1,0,0,0,0|0,0,0]=2 4636 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [1,1,0,0,0,0|1,0,0]=3 4637 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [1,1,0,0,0,0|0,0,0]=2 4638 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [1,1,0,0,0,0|1,0,1]=4 4639 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [1,1,0,0,0,0|1,0,1]=4 4640 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [1,1,0,0,0,0|1,0,1]=4 4641 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [1,1,0,0,0,0|0,0,2]=4 4642 B7R0.4 COCCCN(C)C 2230a_100000224831_200000210301 [1,1,0,0,0,0|2,0,0]=4 4643 B7R0.4 COCCCN(C)C 2230a_100102631434_100000740836 [1,1,0,0,0,0|2,0,0]=4 4644 B7R0.4 COCCCN(C)C 269982a_100000224831_200000210301 [1,1,0,0,0,0|2,0,0]=4 4645 B7R0.4 COCCCN(C)C 269982a_100102631434_100000740836 [1,1,0,0,0,0|2,0,0]=4 4646 B7R0.4 COCCCN(C)[13CH3] 2230a_100000224831_200025704644 [1,1,0,0,0,0|2,0,0]=4 4647 B7R0.4 COCCCN(C)[13CH3] 269982a_100000224831_200025704644 [1,1,0,0,0,0|2,0,0]=4 4648 B7R0.4 COCCC[N+](=O)[O-] 34a_200000037920_200000210301 [1,1,0,0,0,0|2,0,0]=4 4649 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [1,1,0,0,0,0|1,0,0]=3 4650 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [1,1,0,0,0,0|1,0,0]=3 4651 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [1,1,0,0,0,0|1,0,0]=3 4652 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [1,1,0,0,0,0|1,0,0]=3 4653 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [1,1,0,0,0,0|2,0,0]=4 4654 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [1,1,0,0,0,0|1,0,0]=3 4655 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [1,1,0,0,0,0|2,0,0]=4 4656 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [1,1,0,0,0,0|2,0,0]=4 4657 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [1,1,0,0,0,0|2,0,0]=4 4658 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [1,1,0,0,0,0|2,0,0]=4 4659 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [1,1,0,0,0,0|2,0,0]=4 4660 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [1,1,0,0,0,0|2,0,0]=4 4661 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [1,1,0,0,0,0|2,0,0]=4 4662 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [1,1,0,0,0,0|2,0,0]=4 4663 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [1,1,0,0,0,0|1,0,0]=3 4664 B7R0.4 CSCCC=C(C)C 62a_100011217483_200000210301 [1,1,0,0,0,0|1,0,1]=4 4665 B7R0.4 CSCCC=C(C)C 62a_200000210301_100011217483 [1,1,0,0,0,0|1,0,1]=4 4666 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [1,1,0,0,0,0|0,0,0]=2 4667 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [1,1,0,0,0,0|0,0,0]=2 4668 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [1,1,0,0,0,0|0,0,0]=2 4669 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [1,1,0,0,0,0|1,0,0]=3 4670 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [1,1,0,0,0,0|1,0,0]=3 4671 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [1,1,0,0,0,0|0,0,0]=2 4672 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [1,1,0,0,0,0|1,0,1]=4 4673 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [1,1,0,0,0,0|1,0,1]=4 4674 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [1,1,0,0,0,0|0,0,2]=4 4675 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [1,1,0,0,0,0|0,0,2]=4 4676 B7R0.4 CSCCCN(C)C 62a_200000210301_100000757444 [1,1,0,0,0,0|2,0,0]=4 4677 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [1,1,0,0,0,0|1,0,0]=3 4678 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [1,1,0,0,0,0|1,0,0]=3 4679 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [1,1,0,0,0,0|1,0,0]=3 4680 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [1,1,0,0,0,0|1,0,0]=3 4681 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [1,1,0,0,0,0|1,0,0]=3 4682 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [1,1,0,0,0,0|1,0,0]=3 4683 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [1,1,0,0,0,0|2,0,0]=4 4684 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [1,1,0,0,0,0|2,0,0]=4 4685 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [1,1,0,0,0,0|1,0,0]=3 4686 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [1,1,0,0,0,0|1,0,0]=3 4687 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [1,1,0,0,0,0|2,0,0]=4 4688 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [1,1,0,0,0,0|2,0,0]=4 4689 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [1,1,0,0,0,0|2,0,0]=4 4690 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [1,1,0,0,0,0|2,0,0]=4 4691 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [1,1,0,0,0,0|1,0,0]=3 4692 B7R0.4 CSCSCC(=O)N 62a_100000747473_100011218213 [1,1,0,0,0,0|2,0,0]=4 4693 B7R0.4 CSCSCC(=O)N 62a_100011218213_100000747473 [1,1,0,0,0,0|2,0,0]=4 4694 B7R0.4 CSCSCC(=O)[O-] 62a_100011218213_100020667443 [1,1,0,0,0,0|2,0,0]=4 4695 B7R0.4 CSCSCC(=O)[O-] 62a_100020667443_100011218213 [1,1,0,0,0,0|2,0,0]=4 4696 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [1,1,0,0,0,0|2,0,0]=4 4697 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [1,1,0,0,0,0|2,0,0]=4 4698 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [1,1,0,0,0,0|2,0,0]=4 4699 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [1,1,0,0,0,0|2,0,0]=4 4700 B7R0.4 NC(=O)CNCCF 2230a_100000711301_100011217306 [1,1,0,0,0,0|2,0,0]=4 4701 B7R0.4 NC(=O)CNCCF 34a_100000724931_100000187820 [1,1,0,0,0,0|2,0,0]=4 4702 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [1,1,0,0,0,0|2,0,0]=4 4703 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [1,1,0,0,0,0|2,0,0]=4 4704 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [1,1,0,0,0,0|2,0,0]=4 4705 B7R0.4 NC(=O)COCCBr 34a_100000211926_100000187820 [1,1,0,0,0,0|2,0,0]=4 4706 B7R0.4 NC(=O)CSCCF 62a_100000747473_100011217306 [1,1,0,0,0,0|2,0,0]=4 4707 B7R0.4 NC(=O)CSCCF 62a_100011217306_100000747473 [1,1,0,0,0,0|2,0,0]=4 4708 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [1,1,0,0,0,0|2,0,0]=4 4709 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [1,1,0,0,0,0|2,0,0]=4 4710 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [1,1,0,0,0,0|2,0,0]=4 4711 B7R0.4 NCCOCC(=O)[O-] 34a_100000210304_100020667443 [1,1,0,0,0,0|2,0,0]=4 4712 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [1,1,0,0,0,0|2,0,0]=4 4713 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [1,1,0,0,0,0|2,0,0]=4 4714 B7R0.4 O=C([O-])CNCCF 34a_100000724931_100020667443 [1,1,0,0,0,0|2,0,0]=4 4715 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [1,1,0,0,0,0|2,0,0]=4 4716 B7R0.4 O=C([O-])COCCBr 34a_100000211926_100020667443 [1,1,0,0,0,0|2,0,0]=4 4717 B7R0.4 O=C([O-])CSCCF 62a_100011217306_100020667443 [1,1,0,0,0,0|2,0,0]=4 4718 B7R0.4 O=C([O-])CSCCF 62a_100020667443_100011217306 [1,1,0,0,0,0|2,0,0]=4 4719 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [1,1,0,0,0,0|2,0,0]=4 4720 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [1,1,0,0,0,0|2,0,0]=4 4721 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [1,1,0,0,0,0|0,0,1]=3 4722 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,1,0,0,0,0|0,0,0]=2 4723 B7R0.4 [13CH3]C(=O)CCN=[N+]=[N-] 1458a_100000688302_200025704644 [1,1,0,0,0,0|2,0,0]=4 4724 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [1,1,0,0,0,0|1,0,0]=3 4725 B7R0.4 [13CH3]C(=O)CSCC#N 1458a_100000150266_200025704644 [1,1,0,0,0,0|1,0,1]=4 4726 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [1,1,0,0,0,0|1,0,0]=3 4727 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [1,1,0,0,0,0|2,0,0]=4 4728 B7R0.4 [13CH3]OCCC[N+](=O)[O-] 34a_200000037920_200025704644 [1,1,0,0,0,0|2,0,0]=4 4729 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [1,1,0,0,0,0|2,0,0]=4 4730 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [1,1,0,0,0,0|2,0,0]=4 4731 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [1,1,0,0,0,0|1,0,0]=3 4732 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [1,1,0,0,0,0|1,0,0]=3 4733 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [1,1,0,0,0,0|2,0,0]=4 4734 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [1,1,0,0,0,0|2,0,0]=4 4735 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [1,1,0,0,0,0|2,0,0]=4 4736 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [1,1,0,0,0,0|2,0,0]=4 4737 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [1,1,0,0,0,0|0,0,1]=3 4738 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [1,1,0,0,0,0|0,0,1]=3 4739 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [1,1,0,0,0,0|0,0,1]=3 4740 B7R0.6 C=C(C)CCN(C)C 2230a_100102631434_100000730704 [1,1,0,0,0,0|2,0,0]=4 4741 B7R0.6 C=C(C)CCN(C)C 269982a_100102631434_100000730704 [1,1,0,0,0,0|2,0,0]=4 4742 B7R0.6 C=C(C)CNC(=O)C 11a_100000765925_100015343762 [1,1,0,0,0,0|1,0,1]=4 4743 B7R0.6 C=C(C)CNC(=O)C 1626a_100000765925_100015343762 [1,1,0,0,0,0|1,0,1]=4 4744 B7R0.6 C=C(C)CNC(=O)C 240690a_100000765925_100015343762 [1,1,0,0,0,0|1,0,1]=4 4745 B7R0.6 C=C(C)CNC(=O)C 527a_100000765925_100103153847 [1,1,0,0,0,0|1,0,1]=4 4746 B7R0.6 C=C(C)CNC(C)C 2230a_100138425928_100000748629 [1,1,0,0,0,0|2,0,0]=4 4747 B7R0.6 C=C(C)CNC(C)C 34a_100138425928_100000748629 [1,1,0,0,0,0|2,0,0]=4 4748 B7R0.6 C=C(C)COC(C)C 34a_100000210245_100000210206 [1,1,0,0,0,0|2,0,0]=4 4749 B7R0.6 C=C(C)COC(C)C 34a_100000212225_100000748629 [1,1,0,0,0,0|2,0,0]=4 4750 B7R0.6 C=C(C)CSC(C)C 62a_100000210206_100000211660 [1,1,0,0,0,0|2,0,0]=4 4751 B7R0.6 C=C(C)CSC(C)C 62a_100000748629_100000210206 [1,1,0,0,0,0|2,0,0]=4 4752 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [1,1,0,0,0,0|0,0,2]=4 4753 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [1,1,0,0,0,0|0,0,2]=4 4754 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [1,1,0,0,0,0|0,0,2]=4 4755 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [1,1,0,0,0,0|0,0,2]=4 4756 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [1,1,0,0,0,0|1,0,1]=4 4757 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [1,1,0,0,0,0|0,0,0]=2 4758 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [1,1,0,0,0,0|0,0,0]=2 4759 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [1,1,0,0,0,0|0,0,0]=2 4760 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [1,1,0,0,0,0|1,0,0]=3 4761 B7R0.6 CC(=O)CC[N+](=O)[O-] 1458a_200000064761_200000210301 [1,1,0,0,0,0|2,0,0]=4 4762 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [1,1,0,0,0,0|1,0,0]=3 4763 B7R0.6 CC(=O)CNC(=O)C 1458a_100000194580_200000210301 [1,1,0,0,0,0|1,0,1]=4 4764 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [1,1,0,0,0,0|1,0,1]=4 4765 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [1,1,0,0,0,0|1,0,0]=3 4766 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [1,1,0,0,0,0|1,0,0]=3 4767 B7R0.6 CC(=O)COC(F)F 1458a_200000719455_200000210301 [1,1,0,0,0,0|2,0,0]=4 4768 B7R0.6 CC(=O)CSC(=O)C 1458a_100000049016_200000210301 [1,1,0,0,0,0|1,0,1]=4 4769 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [1,1,0,0,0,0|1,0,0]=3 4770 B7R0.6 CC(=O)CSC(F)F 1458a_114828291038_200000210301 [1,1,0,0,0,0|2,0,0]=4 4771 B7R0.6 CC(=O)NCC(=O)[13CH3] 1458a_100000194580_200025704644 [1,1,0,0,0,0|1,0,1]=4 4772 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [1,1,0,0,0,0|1,0,0]=3 4773 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [1,1,0,0,0,0|1,0,0]=3 4774 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [1,1,0,0,0,0|1,0,0]=3 4775 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [1,1,0,0,0,0|1,0,0]=3 4776 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [1,1,0,0,0,0|1,0,0]=3 4777 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [1,1,0,0,0,0|1,0,0]=3 4778 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [1,1,0,0,0,0|1,0,0]=3 4779 B7R0.6 CC(=O)NCC(F)F 11a_100000765723_100015343762 [1,1,0,0,0,0|2,0,0]=4 4780 B7R0.6 CC(=O)NCC(F)F 1626a_100000765723_100015343762 [1,1,0,0,0,0|2,0,0]=4 4781 B7R0.6 CC(=O)NCC(F)F 240690a_100000765723_100015343762 [1,1,0,0,0,0|2,0,0]=4 4782 B7R0.6 CC(=O)NCC(F)F 527a_100000765723_100103153847 [1,1,0,0,0,0|2,0,0]=4 4783 B7R0.6 CC(=O)NNC(C)C 22a_100000741168_100000070787 [1,1,0,0,0,0|2,0,0]=4 4784 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [1,1,0,0,0,0|1,0,1]=4 4785 B7R0.6 CC(=O)OCN(C)C 269982a_100102631434_100000076356 [1,1,0,0,0,0|2,0,0]=4 4786 B7R0.6 CC(=O)SCC(=O)[13CH3] 1458a_100000049016_200025704644 [1,1,0,0,0,0|1,0,1]=4 4787 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [1,1,0,0,0,0|0,0,2]=4 4788 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [1,1,0,0,0,0|0,0,0]=2 4789 B7R0.6 CC(C)CCN(C)C 2230a_100000742789_200000210301 [1,1,0,0,0,0|2,0,0]=4 4790 B7R0.6 CC(C)CCN(C)C 2230a_100102631434_100000210312 [1,1,0,0,0,0|2,0,0]=4 4791 B7R0.6 CC(C)CCN(C)C 269982a_100000742789_200000210301 [1,1,0,0,0,0|2,0,0]=4 4792 B7R0.6 CC(C)CCN(C)C 269982a_100102631434_100000210312 [1,1,0,0,0,0|2,0,0]=4 4793 B7R0.6 CC(C)CCN(C)[13CH3] 2230a_100000742789_200025704644 [1,1,0,0,0,0|2,0,0]=4 4794 B7R0.6 CC(C)CCN(C)[13CH3] 269982a_100000742789_200025704644 [1,1,0,0,0,0|2,0,0]=4 4795 B7R0.6 CC(C)NCC(=O)N 2230a_100000711301_100000210206 [1,1,0,0,0,0|2,0,0]=4 4796 B7R0.6 CC(C)NCC(=O)N 2230a_100138425928_100000747473 [1,1,0,0,0,0|2,0,0]=4 4797 B7R0.6 CC(C)NCC(=O)N 34a_100138425928_100000187820 [1,1,0,0,0,0|2,0,0]=4 4798 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [1,1,0,0,0,0|2,0,0]=4 4799 B7R0.6 CC(C)NCC(=O)[O-] 34a_100138425928_100020667443 [1,1,0,0,0,0|2,0,0]=4 4800 B7R0.6 CC(C)OCC(=O)N 34a_100000212225_100000187820 [1,1,0,0,0,0|2,0,0]=4 4801 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [1,1,0,0,0,0|1,0,0]=3 4802 B7R0.6 CC(C)OCC(=O)[O-] 34a_100000212225_100020667443 [1,1,0,0,0,0|2,0,0]=4 4803 B7R0.6 CC(C)SCC(=O)N 62a_100000210206_100000747473 [1,1,0,0,0,0|2,0,0]=4 4804 B7R0.6 CC(C)SCC(=O)N 62a_100000747473_100000210206 [1,1,0,0,0,0|2,0,0]=4 4805 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [1,1,0,0,0,0|1,0,0]=3 4806 B7R0.6 CC(C)SCC(=O)[O-] 62a_100000210206_100020667443 [1,1,0,0,0,0|2,0,0]=4 4807 B7R0.6 CC(C)SCC(=O)[O-] 62a_100020667443_100000210206 [1,1,0,0,0,0|2,0,0]=4 4808 B7R0.6 CC(O)CCN(C)C 2230a_100102631434_100012276601 [1,1,0,0,0,0|2,0,0]=4 4809 B7R0.6 CC(O)CCN(C)C 269982a_100102631434_100012276601 [1,1,0,0,0,0|2,0,0]=4 4810 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [1,1,0,0,0,0|2,0,0]=4 4811 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [1,1,0,0,0,0|2,0,0]=4 4812 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [1,1,0,0,0,0|2,0,0]=4 4813 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [1,1,0,0,0,0|2,0,0]=4 4814 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [1,1,0,0,0,0|1,0,0]=3 4815 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [1,1,0,0,0,0|1,0,1]=4 4816 B7R0.6 [13CH3]C(=O)CC[N+](=O)[O-] 1458a_200000064761_200025704644 [1,1,0,0,0,0|2,0,0]=4 4817 B7R0.6 [13CH3]C(=O)COC(F)F 1458a_200000719455_200025704644 [1,1,0,0,0,0|2,0,0]=4 4818 B7R0.6 [13CH3]C(=O)CSC(F)F 1458a_114828291038_200025704644 [1,1,0,0,0,0|2,0,0]=4 4819 B7R0.8 CCCNS(=O)(=O)C 40a_100020643023_100000738038 [1,1,0,0,0,0|2,0,0]=4 4820 B7R0.8 CNCCS(=O)(=O)C 2230a_100000740961_200000210301 [1,1,0,0,0,0|2,0,0]=4 4821 B7R0.8 CNCCS(=O)(=O)C 2230a_106832991635_100000731031 [1,1,0,0,0,0|2,0,0]=4 4822 B7R0.8 CNCCS(=O)(=O)C 34a_100000740961_200000210301 [1,1,0,0,0,0|2,0,0]=4 4823 B7R0.8 CNCCS(=O)(=O)C 34a_100102657272_100000731031 [1,1,0,0,0,0|2,0,0]=4 4824 B7R0.8 CNCCS(=O)(=O)C 7a_106832991635_100000230027 [1,1,0,0,0,0|2,0,0]=4 4825 B7R0.8 COCCS(=O)(=O)C 34a_100000211924_200000210301 [1,1,0,0,0,0|2,0,0]=4 4826 B7R0.8 COCCS(=O)(=O)C 34a_100138415774_100000731031 [1,1,0,0,0,0|2,0,0]=4 4827 B7R0.8 COCCS(=O)(=O)C 7a_100000211924_200000210301 [1,1,0,0,0,0|2,0,0]=4 4828 B7R0.8 CS(=O)(=O)CCN[13CH3] 2230a_100000740961_200025704644 [1,1,0,0,0,0|2,0,0]=4 4829 B7R0.8 CS(=O)(=O)CCN[13CH3] 34a_100000740961_200025704644 [1,1,0,0,0,0|2,0,0]=4 4830 B7R0.8 CS(=O)(=O)CCO[13CH3] 34a_100000211924_200025704644 [1,1,0,0,0,0|2,0,0]=4 4831 B7R0.8 CS(=O)(=O)CCO[13CH3] 7a_100000211924_200025704644 [1,1,0,0,0,0|2,0,0]=4 4832 B7R0.8 CS(=O)(=O)CCS[13CH3] 62a_100000731031_200025704644 [1,1,0,0,0,0|2,0,0]=4 4833 B7R0.8 CS(=O)(=O)CCS[13CH3] 62a_200025704644_100000230027 [1,1,0,0,0,0|2,0,0]=4 4834 B7R0.8 CSCCS(=O)(=O)C 62a_100000731031_200000210301 [1,1,0,0,0,0|2,0,0]=4 4835 B7R0.8 CSCCS(=O)(=O)C 62a_200000210301_100000230027 [1,1,0,0,0,0|2,0,0]=4 4836 B7R0.1 C#CCCCNCC 2230a_100015525214_100000731252 [1,1,0,0,0,0|1,0,1]=4 4837 B7R0.1 C#CCCCNCC 34a_100000718082_100000210202 [1,1,0,0,0,0|1,0,1]=4 4838 B7R0.1 C#CCCCOCC 34a_100000215630_100000210202 [1,1,0,0,0,0|1,0,1]=4 4839 B7R0.1 C#CCCCOCC 34a_100121572206_100000695029 [1,1,0,0,0,0|1,0,1]=4 4840 B7R0.1 C#CCCCOCC 7a_100000215630_100000210202 [1,1,0,0,0,0|1,0,1]=4 4841 B7R0.1 C#CCCCSCC 62a_100000210202_100011215417 [1,1,0,0,0,0|1,0,1]=4 4842 B7R0.1 C#CCCCSCC 62a_100011215417_100000210202 [1,1,0,0,0,0|1,0,1]=4 4843 B7R0.1 C#CCNCCCC 2230a_100000102301_100000038162 [1,1,0,0,0,0|1,0,1]=4 4844 B7R0.1 C#CCNCCCC 34a_100000212058_100000210210 [1,1,0,0,0,0|1,0,1]=4 4845 B7R0.1 C#CCNCCCC 7a_106832991798_100000038162 [1,1,0,0,0,0|1,0,1]=4 4846 B7R0.1 C#CCOCCCC 34a_100000210227_100000184674 [1,1,0,0,0,0|1,0,1]=4 4847 B7R0.1 C#CCOCCCC 34a_100000210247_100000210210 [1,1,0,0,0,0|1,0,1]=4 4848 B7R0.1 C#CCOCCCC 7a_100000210227_100000038162 [1,1,0,0,0,0|1,0,1]=4 4849 B7R0.1 C#CCSCCCC 62a_100000038162_100000210210 [1,1,0,0,0,0|1,0,1]=4 4850 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [1,1,0,0,0,0|0,0,1]=3 4851 B7R0.1 C/C=C/CCOCF 34a_100016278192_100015361967 [1,1,0,0,0,0|1,0,1]=4 4852 B7R0.1 C/C=C/CNCCF 34a_100000724931_100102629194 [1,1,0,0,0,0|1,0,1]=4 4853 B7R0.1 C/C=C/CNCCO 34a_100016990907_100102629194 [1,1,0,0,0,0|1,0,1]=4 4854 B7R0.1 C/C=C/COCCBr 34a_100000211926_100102629194 [1,1,0,0,0,0|1,0,1]=4 4855 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [1,1,0,0,0,0|0,0,1]=3 4856 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [1,1,0,0,0,0|0,0,1]=3 4857 B7R0.1 C/C=C/COCCF 34a_100016270725_100011217306 [1,1,0,0,0,0|1,0,1]=4 4858 B7R0.1 C/C=C/COCCN 34a_100000210304_100102629194 [1,1,0,0,0,0|1,0,1]=4 4859 B7R0.1 C/C=C/COCCO 34a_100016270725_100000211926 [1,1,0,0,0,0|1,0,1]=4 4860 B7R0.1 C/C=C/COCSC 34a_100016270725_100011218213 [1,1,0,0,0,0|1,0,1]=4 4861 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [1,1,0,0,0,0|0,0,1]=3 4862 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [1,1,0,0,0,0|0,0,1]=3 4863 B7R0.1 C/C=C/CSCCF 62a_100011217306_100102629194 [1,1,0,0,0,0|1,0,1]=4 4864 B7R0.1 C/C=C/CSCCF 62a_100102629194_100011217306 [1,1,0,0,0,0|1,0,1]=4 4865 B7R0.1 C/C=C/CSCCO 62a_100000211926_100102629194 [1,1,0,0,0,0|1,0,1]=4 4866 B7R0.1 C/C=C/CSCCO 62a_100102629194_100000211926 [1,1,0,0,0,0|1,0,1]=4 4867 B7R0.1 C/C=C/CSCOC 62a_100000766300_100102629194 [1,1,0,0,0,0|1,0,1]=4 4868 B7R0.1 C/C=C/CSCOC 62a_100102629194_100000766300 [1,1,0,0,0,0|1,0,1]=4 4869 B7R0.1 C/C=C/CSCSC 62a_100011218213_100102629194 [1,1,0,0,0,0|1,0,1]=4 4870 B7R0.1 C/C=C/CSCSC 62a_100102629194_100011218213 [1,1,0,0,0,0|1,0,1]=4 4871 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [1,1,0,0,0,0|1,0,1]=4 4872 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [1,1,0,0,0,0|1,0,1]=4 4873 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [1,1,0,0,0,0|1,0,1]=4 4874 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [1,1,0,0,0,0|1,0,1]=4 4875 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [1,1,0,0,0,0|1,0,1]=4 4876 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [1,1,0,0,0,0|1,0,1]=4 4877 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [1,1,0,0,0,0|1,0,1]=4 4878 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [1,1,0,0,0,0|1,0,1]=4 4879 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [1,1,0,0,0,0|1,0,1]=4 4880 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [1,1,0,0,0,0|1,0,1]=4 4881 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [1,1,0,0,0,0|1,0,1]=4 4882 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [1,1,0,0,0,0|1,0,1]=4 4883 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [1,1,0,0,0,0|1,0,1]=4 4884 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [1,1,0,0,0,0|1,0,1]=4 4885 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [1,1,0,0,0,0|1,0,1]=4 4886 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [1,1,0,0,0,0|1,0,1]=4 4887 B7R0.1 CC#CCCOCC 34a_100000750427_100000210202 [1,1,0,0,0,0|0,0,2]=4 4888 B7R0.1 CC#CCNCCC 2230a_100000685387_100000210303 [1,1,0,0,0,0|0,0,2]=4 4889 B7R0.1 CC#CCNCCC 34a_100000685387_100000210303 [1,1,0,0,0,0|0,0,2]=4 4890 B7R0.1 CC#CCOCCC 34a_100000210258_100000748600 [1,1,0,0,0,0|0,0,2]=4 4891 B7R0.1 CC#CCOCCC 34a_100000761923_100000210303 [1,1,0,0,0,0|0,0,2]=4 4892 B7R0.1 CC#CCSCCC 62a_100000210303_100000748600 [1,1,0,0,0,0|0,0,2]=4 4893 B7R0.1 CC#CCSCCC 62a_100000748600_100000210303 [1,1,0,0,0,0|0,0,2]=4 4894 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [1,1,0,0,0,0|0,0,1]=3 4895 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [1,1,0,0,0,0|0,0,1]=3 4896 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [1,1,0,0,0,0|0,0,1]=3 4897 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [1,1,0,0,0,0|0,0,1]=3 4898 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [1,1,0,0,0,0|0,0,1]=3 4899 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [1,1,0,0,0,0|0,0,1]=3 4900 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [1,1,0,0,0,0|0,0,1]=3 4901 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [1,1,0,0,0,0|0,0,1]=3 4902 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [1,1,0,0,0,0|0,0,1]=3 4903 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [1,1,0,0,0,0|0,0,1]=3 4904 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [1,1,0,0,0,0|0,0,1]=3 4905 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [1,1,0,0,0,0|0,0,1]=3 4906 B7R0.1 CC/C=C\CNCC 2230a_100015525214_100103147603 [1,1,0,0,0,0|0,0,1]=3 4907 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [1,1,0,0,0,0|0,0,1]=3 4908 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [1,1,0,0,0,0|0,0,1]=3 4909 B7R0.1 CC/C=C\COCF 34a_100016268518_100015361967 [1,1,0,0,0,0|1,0,1]=4 4910 B7R0.1 CC/C=C\CSCC 62a_100000210202_100103147603 [1,1,0,0,0,0|0,0,1]=3 4911 B7R0.1 CC/C=C\CSCC 62a_100103147603_100000210202 [1,1,0,0,0,0|0,0,1]=3 4912 B7R0.1 CC/C=C\CSCF 62a_100015361967_100103147603 [1,1,0,0,0,0|1,0,1]=4 4913 B7R0.1 CC/C=C\CSCF 62a_100103147603_100015361967 [1,1,0,0,0,0|1,0,1]=4 4914 B7R0.1 CC=C=CCCOC 34a_100011020354_200000210301 [1,1,0,0,0,0|1,0,1]=4 4915 B7R0.1 CC=C=CCCO[13CH3] 34a_100011020354_200025704644 [1,1,0,0,0,0|1,0,1]=4 4916 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [1,1,0,0,0,0|0,0,1]=3 4917 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [1,1,0,0,0,0|0,0,1]=3 4918 B7R0.1 CC=CCNCCF 34a_100000724931_100000070051 [1,1,0,0,0,0|1,0,1]=4 4919 B7R0.1 CC=CCNCCO 2230a_100016997473_100000070051 [1,1,0,0,0,0|1,0,1]=4 4920 B7R0.1 CC=CCNCCO 34a_100016990907_100000070051 [1,1,0,0,0,0|1,0,1]=4 4921 B7R0.1 CC=CCOCCBr 34a_100000211926_100000070051 [1,1,0,0,0,0|1,0,1]=4 4922 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [1,1,0,0,0,0|0,0,1]=3 4923 B7R0.1 CC=CCOCCN 34a_100000210304_100000070051 [1,1,0,0,0,0|1,0,1]=4 4924 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [1,1,0,0,0,0|0,0,1]=3 4925 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [1,1,0,0,0,0|0,0,1]=3 4926 B7R0.1 CC=CCSCCF 62a_100000070051_100011217306 [1,1,0,0,0,0|1,0,1]=4 4927 B7R0.1 CC=CCSCCF 62a_100011217306_100000070051 [1,1,0,0,0,0|1,0,1]=4 4928 B7R0.1 CC=CCSCCO 62a_100000070051_100000211926 [1,1,0,0,0,0|1,0,1]=4 4929 B7R0.1 CC=CCSCCO 62a_100000211926_100000070051 [1,1,0,0,0,0|1,0,1]=4 4930 B7R0.1 CC=CCSCOC 62a_100000070051_100000766300 [1,1,0,0,0,0|1,0,1]=4 4931 B7R0.1 CC=CCSCOC 62a_100000766300_100000070051 [1,1,0,0,0,0|1,0,1]=4 4932 B7R0.1 CC=CCSCSC 62a_100000070051_100011218213 [1,1,0,0,0,0|1,0,1]=4 4933 B7R0.1 CC=CCSCSC 62a_100011218213_100000070051 [1,1,0,0,0,0|1,0,1]=4 4934 B7R0.1 CC=NNCCCC 4a_100025702795_200000210099 [1,1,0,0,0,0|1,0,1]=4 4935 B7R0.1 CCC#CCCOC 34a_100000036655_200000210301 [1,1,0,0,0,0|0,0,2]=4 4936 B7R0.1 CCC#CCCOC 7a_100000036655_200000210301 [1,1,0,0,0,0|0,0,2]=4 4937 B7R0.1 CCC#CCCO[13CH3] 34a_100000036655_200025704644 [1,1,0,0,0,0|0,0,2]=4 4938 B7R0.1 CCC#CCCO[13CH3] 7a_100000036655_200025704644 [1,1,0,0,0,0|0,0,2]=4 4939 B7R0.1 CCC#CCNCC 2230a_100015525214_100009813939 [1,1,0,0,0,0|0,0,2]=4 4940 B7R0.1 CCC#CCOCC 34a_100000032950_100000210202 [1,1,0,0,0,0|0,0,2]=4 4941 B7R0.1 CCC#CCOCC 34a_100121572206_100009813939 [1,1,0,0,0,0|0,0,2]=4 4942 B7R0.1 CCC#CCSCC 62a_100000210202_100009813939 [1,1,0,0,0,0|0,0,2]=4 4943 B7R0.1 CCC#CCSCC 62a_100009813939_100000210202 [1,1,0,0,0,0|0,0,2]=4 4944 B7R0.1 CCC/C=C/COC 34a_100016278788_200000210301 [1,1,0,0,0,0|0,0,1]=3 4945 B7R0.1 CCC/C=C/COC 7a_100016278788_200000210301 [1,1,0,0,0,0|0,0,1]=3 4946 B7R0.1 CCC/C=C/CO[13CH3] 34a_100016278788_200025704644 [1,1,0,0,0,0|0,0,1]=3 4947 B7R0.1 CCC/C=C/CO[13CH3] 7a_100016278788_200025704644 [1,1,0,0,0,0|0,0,1]=3 4948 B7R0.1 CCC=NNCCC 4a_100000740057_100000210100 [1,1,0,0,0,0|1,0,0]=3 4949 B7R0.1 CCC=NNCCO 4a_100000210001_100000210100 [1,1,0,0,0,0|2,0,0]=4 4950 B7R0.1 CCCC#CCOC 34a_100000034806_200000210301 [1,1,0,0,0,0|0,0,2]=4 4951 B7R0.1 CCCC#CCOC 7a_100000034806_200000210301 [1,1,0,0,0,0|0,0,2]=4 4952 B7R0.1 CCCC#CCO[13CH3] 34a_100000034806_200025704644 [1,1,0,0,0,0|0,0,2]=4 4953 B7R0.1 CCCC#CCO[13CH3] 7a_100000034806_200025704644 [1,1,0,0,0,0|0,0,2]=4 4954 B7R0.1 CCCC=NNCC 4a_100000756455_100000185831 [1,1,0,0,0,0|1,0,1]=4 4955 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [1,1,0,0,0,0|0,0,1]=3 4956 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [1,1,0,0,0,0|0,0,1]=3 4957 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [1,1,0,0,0,0|0,0,1]=3 4958 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [1,1,0,0,0,0|0,0,1]=3 4959 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [1,1,0,0,0,0|0,0,1]=3 4960 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [1,1,0,0,0,0|0,0,1]=3 4961 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [1,1,0,0,0,0|0,0,1]=3 4962 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [1,1,0,0,0,0|0,0,1]=3 4963 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [1,1,0,0,0,0|0,0,1]=3 4964 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [1,1,0,0,0,0|0,0,1]=3 4965 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [1,1,0,0,0,0|0,0,1]=3 4966 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [1,1,0,0,0,0|0,0,1]=3 4967 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [1,1,0,0,0,0|0,0,1]=3 4968 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [1,1,0,0,0,0|0,0,1]=3 4969 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [1,1,0,0,0,0|0,0,1]=3 4970 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [1,1,0,0,0,0|0,0,1]=3 4971 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [1,1,0,0,0,0|0,0,1]=3 4972 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [1,1,0,0,0,0|0,0,1]=3 4973 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [1,1,0,0,0,0|0,0,1]=3 4974 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [1,1,0,0,0,0|1,0,1]=4 4975 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [1,1,0,0,0,0|1,0,1]=4 4976 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [1,1,0,0,0,0|0,0,1]=3 4977 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [1,1,0,0,0,0|0,0,1]=3 4978 B7R0.1 CCCCCSCF 62a_100000210326_100015361967 [1,1,0,0,0,0|1,0,1]=4 4979 B7R0.1 CCCCCSCF 62a_100015361967_100000210326 [1,1,0,0,0,0|1,0,1]=4 4980 B7R0.1 CCCCNCC#N 2230a_100000102301_100011215382 [1,1,0,0,0,0|1,0,1]=4 4981 B7R0.1 CCCCNCC#N 7a_106832991798_100011215382 [1,1,0,0,0,0|1,0,1]=4 4982 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [1,1,0,0,0,0|1,0,1]=4 4983 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [1,1,0,0,0,0|1,0,1]=4 4984 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [1,1,0,0,0,0|0,0,1]=3 4985 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [1,1,0,0,0,0|0,0,1]=3 4986 B7R0.1 CCCCNCCF 2230a_100000102301_100011217306 [1,1,0,0,0,0|1,0,0]=3 4987 B7R0.1 CCCCNCCF 34a_100000724931_100000210210 [1,1,0,0,0,0|1,0,0]=3 4988 B7R0.1 CCCCNCCF 7a_106832991798_100011217306 [1,1,0,0,0,0|1,0,0]=3 4989 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [1,1,0,0,0,0|1,0,0]=3 4990 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [1,1,0,0,0,0|1,0,0]=3 4991 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [1,1,0,0,0,0|1,0,0]=3 4992 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [1,1,0,0,0,0|1,0,0]=3 4993 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [1,1,0,0,0,0|1,0,0]=3 4994 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [1,1,0,0,0,0|1,0,0]=3 4995 B7R0.1 CCCCOCC#N 7a_100000210227_100011215382 [1,1,0,0,0,0|1,0,1]=4 4996 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [1,1,0,0,0,0|1,0,1]=4 4997 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [1,1,0,0,0,0|1,0,1]=4 4998 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [1,1,0,0,0,0|1,0,0]=3 4999 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [1,1,0,0,0,0|0,0,1]=3 5000 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [1,1,0,0,0,0|0,0,1]=3 5001 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [1,1,0,0,0,0|0,0,1]=3 5002 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [1,1,0,0,0,0|1,0,0]=3 5003 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [1,1,0,0,0,0|1,0,0]=3 5004 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [1,1,0,0,0,0|1,0,0]=3 5005 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [1,1,0,0,0,0|1,0,0]=3 5006 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [1,1,0,0,0,0|1,0,0]=3 5007 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [1,1,0,0,0,0|1,0,0]=3 5008 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [1,1,0,0,0,0|1,0,0]=3 5009 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [1,1,0,0,0,0|1,0,0]=3 5010 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [1,1,0,0,0,0|1,0,0]=3 5011 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [1,1,0,0,0,0|1,0,0]=3 5012 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [1,1,0,0,0,0|1,0,0]=3 5013 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [1,1,0,0,0,0|1,0,0]=3 5014 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [1,1,0,0,0,0|1,0,0]=3 5015 B7R0.1 CCCCSCC#N 62a_100000210211_100011215382 [1,1,0,0,0,0|1,0,1]=4 5016 B7R0.1 CCCCSCC#N 62a_100011215382_100000210210 [1,1,0,0,0,0|1,0,1]=4 5017 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [1,1,0,0,0,0|1,0,1]=4 5018 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [1,1,0,0,0,0|1,0,1]=4 5019 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [1,1,0,0,0,0|0,0,1]=3 5020 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [1,1,0,0,0,0|0,0,1]=3 5021 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [1,1,0,0,0,0|1,0,0]=3 5022 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [1,1,0,0,0,0|1,0,0]=3 5023 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [1,1,0,0,0,0|1,0,0]=3 5024 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [1,1,0,0,0,0|1,0,0]=3 5025 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [1,1,0,0,0,0|1,0,0]=3 5026 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [1,1,0,0,0,0|1,0,0]=3 5027 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [1,1,0,0,0,0|1,0,0]=3 5028 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [1,1,0,0,0,0|1,0,0]=3 5029 B7R0.1 CCCNCCCF 2230a_100015189416_100000210303 [1,1,0,0,0,0|1,0,1]=4 5030 B7R0.1 CCCNCCCF 34a_100015189416_100000210303 [1,1,0,0,0,0|1,0,1]=4 5031 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [1,1,0,0,0,0|1,0,1]=4 5032 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [1,1,0,0,0,0|1,0,1]=4 5033 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [1,1,0,0,0,0|1,0,1]=4 5034 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [1,1,0,0,0,0|1,0,1]=4 5035 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [1,1,0,0,0,0|1,0,1]=4 5036 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [1,1,0,0,0,0|1,0,1]=4 5037 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [1,1,0,0,0,0|1,0,1]=4 5038 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [1,1,0,0,0,0|1,0,1]=4 5039 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [1,1,0,0,0,0|1,0,1]=4 5040 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [1,1,0,0,0,0|1,0,1]=4 5041 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [1,1,0,0,0,0|1,0,1]=4 5042 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [1,1,0,0,0,0|1,0,1]=4 5043 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [1,1,0,0,0,0|1,0,1]=4 5044 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [1,1,0,0,0,0|1,0,1]=4 5045 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [1,1,0,0,0,0|1,0,1]=4 5046 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [1,1,0,0,0,0|1,0,1]=4 5047 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [1,1,0,0,0,0|1,0,1]=4 5048 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [1,1,0,0,0,0|1,0,1]=4 5049 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [1,1,0,0,0,0|1,0,1]=4 5050 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [1,1,0,0,0,0|1,0,1]=4 5051 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [1,1,0,0,0,0|1,0,1]=4 5052 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [1,1,0,0,0,0|1,0,1]=4 5053 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [1,1,0,0,0,0|1,0,1]=4 5054 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [1,1,0,0,0,0|1,0,1]=4 5055 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [1,1,0,0,0,0|1,0,1]=4 5056 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [1,1,0,0,0,0|1,0,1]=4 5057 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [1,1,0,0,0,0|1,0,1]=4 5058 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [1,1,0,0,0,0|1,0,1]=4 5059 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [1,1,0,0,0,0|1,0,1]=4 5060 B7R0.1 CCCSCCCF 62a_100000210303_100011934791 [1,1,0,0,0,0|1,0,1]=4 5061 B7R0.1 CCCSCCCF 62a_100011934791_100000210303 [1,1,0,0,0,0|1,0,1]=4 5062 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [1,1,0,0,0,0|1,0,1]=4 5063 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [1,1,0,0,0,0|1,0,1]=4 5064 B7R0.1 CCCSCCNC 2230a_100020603323_200000210301 [1,1,0,0,0,0|1,0,1]=4 5065 B7R0.1 CCCSCCN[13CH3] 2230a_100020603323_200025704644 [1,1,0,0,0,0|1,0,1]=4 5066 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [1,1,0,0,0,0|1,0,1]=4 5067 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [1,1,0,0,0,0|1,0,1]=4 5068 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [1,1,0,0,0,0|1,0,1]=4 5069 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [1,1,0,0,0,0|1,0,1]=4 5070 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [1,1,0,0,0,0|1,0,1]=4 5071 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [1,1,0,0,0,0|1,0,1]=4 5072 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [1,1,0,0,0,0|1,0,1]=4 5073 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [1,1,0,0,0,0|1,0,1]=4 5074 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [1,1,0,0,0,0|1,0,0]=3 5075 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [1,1,0,0,0,0|1,0,0]=3 5076 B7R0.1 CCNCCCC#N 2230a_100015525214_100000687738 [1,1,0,0,0,0|1,0,1]=4 5077 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [1,1,0,0,0,0|1,0,1]=4 5078 B7R0.1 CCNCCCCF 2230a_100015525214_100000729493 [1,1,0,0,0,0|1,0,0]=3 5079 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [1,1,0,0,0,0|1,0,0]=3 5080 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [1,1,0,0,0,0|1,0,0]=3 5081 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [1,1,0,0,0,0|1,0,0]=3 5082 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [1,1,0,0,0,0|1,0,0]=3 5083 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [1,1,0,0,0,0|1,0,0]=3 5084 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [1,1,0,0,0,0|1,0,0]=3 5085 B7R0.1 CCNCCOCC 2230a_100015525214_100011215890 [1,1,0,0,0,0|1,0,0]=3 5086 B7R0.1 CCNCCOCC 2230a_102516460346_100000210202 [1,1,0,0,0,0|1,0,0]=3 5087 B7R0.1 CCNCCOCC 34a_102516460346_100000210202 [1,1,0,0,0,0|1,0,0]=3 5088 B7R0.1 CCNCCSCC 2230a_100000106463_100000210202 [1,1,0,0,0,0|1,0,0]=3 5089 B7R0.1 CCNCCSCC 2230a_100015525214_100000757381 [1,1,0,0,0,0|1,0,0]=3 5090 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [1,1,0,0,0,0|1,0,0]=3 5091 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [1,1,0,0,0,0|1,0,0]=3 5092 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [1,1,0,0,0,0|1,0,0]=3 5093 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [1,1,0,0,0,0|1,0,0]=3 5094 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [1,1,0,0,0,0|1,0,0]=3 5095 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [1,1,0,0,0,0|1,0,0]=3 5096 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [1,1,0,0,0,0|1,0,0]=3 5097 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [1,1,0,0,0,0|1,0,0]=3 5098 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [1,1,0,0,0,0|1,0,0]=3 5099 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [1,1,0,0,0,0|1,0,0]=3 5100 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [1,1,0,0,0,0|1,0,0]=3 5101 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [1,1,0,0,0,0|1,0,0]=3 5102 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [1,1,0,0,0,0|1,0,0]=3 5103 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [1,1,0,0,0,0|1,0,0]=3 5104 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [1,1,0,0,0,0|1,0,0]=3 5105 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [1,1,0,0,0,0|1,0,0]=3 5106 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [1,1,0,0,0,0|1,0,0]=3 5107 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [1,1,0,0,0,0|1,0,0]=3 5108 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [1,1,0,0,0,0|1,0,0]=3 5109 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [1,1,0,0,0,0|1,0,0]=3 5110 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [1,1,0,0,0,0|1,0,0]=3 5111 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [1,1,0,0,0,0|1,0,0]=3 5112 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [1,1,0,0,0,0|1,0,0]=3 5113 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [1,1,0,0,0,0|1,0,0]=3 5114 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [1,1,0,0,0,0|1,0,0]=3 5115 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [1,1,0,0,0,0|1,0,0]=3 5116 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [1,1,0,0,0,0|1,0,0]=3 5117 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [1,1,0,0,0,0|1,0,0]=3 5118 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [1,1,0,0,0,0|1,0,0]=3 5119 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [1,1,0,0,0,0|1,0,0]=3 5120 B7R0.1 CCOCCNCF 34a_102516460346_100015361967 [1,1,0,0,0,0|2,0,0]=4 5121 B7R0.1 CCOCCOCC 34a_100000210136_100000210202 [1,1,0,0,0,0|1,0,0]=3 5122 B7R0.1 CCOCCOCC 34a_100121572206_100000210147 [1,1,0,0,0,0|1,0,0]=3 5123 B7R0.1 CCOCCOCC 7a_100000210136_100000210202 [1,1,0,0,0,0|1,0,0]=3 5124 B7R0.1 CCOCCOCF 34a_100000210136_100015361967 [1,1,0,0,0,0|2,0,0]=4 5125 B7R0.1 CCOCCOCF 7a_100000210136_100015361967 [1,1,0,0,0,0|2,0,0]=4 5126 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [1,1,0,0,0,0|1,0,0]=3 5127 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [1,1,0,0,0,0|1,0,0]=3 5128 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [1,1,0,0,0,0|1,0,0]=3 5129 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [1,1,0,0,0,0|1,0,0]=3 5130 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [1,1,0,0,0,0|1,0,0]=3 5131 B7R0.1 CCOCCSCF 62a_100000210147_100015361967 [1,1,0,0,0,0|2,0,0]=4 5132 B7R0.1 CCOCCSCF 62a_100015361967_100011215890 [1,1,0,0,0,0|2,0,0]=4 5133 B7R0.1 CCOCSCCF 62a_100000739092_100011217306 [1,1,0,0,0,0|2,0,0]=4 5134 B7R0.1 CCOCSCCF 62a_100011217306_100000739092 [1,1,0,0,0,0|2,0,0]=4 5135 B7R0.1 CCOCSCCO 62a_100000211926_100000739092 [1,1,0,0,0,0|2,0,0]=4 5136 B7R0.1 CCOCSCCO 62a_100000739092_100000211926 [1,1,0,0,0,0|2,0,0]=4 5137 B7R0.1 CCOCSCOC 62a_100000739092_100000766300 [1,1,0,0,0,0|2,0,0]=4 5138 B7R0.1 CCOCSCOC 62a_100000766300_100000739092 [1,1,0,0,0,0|2,0,0]=4 5139 B7R0.1 CCOCSCSC 62a_100000739092_100011218213 [1,1,0,0,0,0|2,0,0]=4 5140 B7R0.1 CCOCSCSC 62a_100011218213_100000739092 [1,1,0,0,0,0|2,0,0]=4 5141 B7R0.1 CCSCCCC#N 62a_100000210202_100000687738 [1,1,0,0,0,0|1,0,1]=4 5142 B7R0.1 CCSCCCC#N 62a_100000687738_100000210202 [1,1,0,0,0,0|1,0,1]=4 5143 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [1,1,0,0,0,0|1,0,1]=4 5144 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [1,1,0,0,0,0|1,0,1]=4 5145 B7R0.1 CCSCCCCF 62a_100000210202_100000729493 [1,1,0,0,0,0|1,0,0]=3 5146 B7R0.1 CCSCCCCF 62a_100000729493_100000210202 [1,1,0,0,0,0|1,0,0]=3 5147 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [1,1,0,0,0,0|1,0,0]=3 5148 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [1,1,0,0,0,0|1,0,0]=3 5149 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [1,1,0,0,0,0|1,0,0]=3 5150 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [1,1,0,0,0,0|1,0,0]=3 5151 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [1,1,0,0,0,0|1,0,0]=3 5152 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [1,1,0,0,0,0|1,0,0]=3 5153 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [1,1,0,0,0,0|1,0,0]=3 5154 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [1,1,0,0,0,0|1,0,0]=3 5155 B7R0.1 CCSCCOCF 34a_100000212035_100015361967 [1,1,0,0,0,0|2,0,0]=4 5156 B7R0.1 CCSCCOCF 7a_100000212035_100015361967 [1,1,0,0,0,0|2,0,0]=4 5157 B7R0.1 CCSCCSCC 62a_100000210202_100000757381 [1,1,0,0,0,0|1,0,0]=3 5158 B7R0.1 CCSCCSCC 62a_100000757381_100000210202 [1,1,0,0,0,0|1,0,0]=3 5159 B7R0.1 CCSCCSCF 62a_100000757381_100015361967 [1,1,0,0,0,0|2,0,0]=4 5160 B7R0.1 CCSCCSCF 62a_100015361967_100000757381 [1,1,0,0,0,0|2,0,0]=4 5161 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [1,1,0,0,0,0|1,0,1]=4 5162 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [1,1,0,0,0,0|1,0,1]=4 5163 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [1,1,0,0,0,0|1,0,1]=4 5164 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [1,1,0,0,0,0|1,0,1]=4 5165 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [1,1,0,0,0,0|1,0,1]=4 5166 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [1,1,0,0,0,0|1,0,1]=4 5167 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [1,1,0,0,0,0|1,0,1]=4 5168 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [1,1,0,0,0,0|1,0,1]=4 5169 B7R0.1 CNCCCCOC 2230a_106832991635_100000730899 [1,1,0,0,0,0|1,0,1]=4 5170 B7R0.1 CNCCCCOC 34a_100102657272_100000755781 [1,1,0,0,0,0|1,0,1]=4 5171 B7R0.1 CNCCCCOC 7a_106832991635_100000730899 [1,1,0,0,0,0|1,0,1]=4 5172 B7R0.1 CNCCCOCF 34a_100000213112_100015361967 [1,1,0,0,0,0|2,0,0]=4 5173 B7R0.1 CNCCOCCO 2230a_100000211614_200000210301 [1,1,0,0,0,0|2,0,0]=4 5174 B7R0.1 CNCCOCCO 2230a_106832991635_100011215305 [1,1,0,0,0,0|2,0,0]=4 5175 B7R0.1 CNCCOCCO 34a_100000211614_200000210301 [1,1,0,0,0,0|2,0,0]=4 5176 B7R0.1 CNCCOCCO 34a_100102657272_100000692535 [1,1,0,0,0,0|2,0,0]=4 5177 B7R0.1 CNCCOCCO 7a_106832991635_100011215305 [1,1,0,0,0,0|2,0,0]=4 5178 B7R0.1 CNCCSCCO 2230a_100011219999_200000210301 [1,1,0,0,0,0|2,0,0]=4 5179 B7R0.1 CNCOCCOC 2230a_106832991635_100000231047 [1,1,0,0,0,0|2,0,0]=4 5180 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [1,1,0,0,0,0|1,0,1]=4 5181 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [1,1,0,0,0,0|1,0,1]=4 5182 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [1,1,0,0,0,0|1,0,1]=4 5183 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [1,1,0,0,0,0|1,0,1]=4 5184 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [1,1,0,0,0,0|1,0,1]=4 5185 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [1,1,0,0,0,0|1,0,1]=4 5186 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [1,1,0,0,0,0|1,0,1]=4 5187 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [1,1,0,0,0,0|1,0,1]=4 5188 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [1,1,0,0,0,0|1,0,1]=4 5189 B7R0.1 COCCCCOC 34a_100000740925_200000210301 [1,1,0,0,0,0|1,0,1]=4 5190 B7R0.1 COCCCCOC 34a_100138415774_100000755781 [1,1,0,0,0,0|1,0,1]=4 5191 B7R0.1 COCCCCO[13CH3] 34a_100000740925_200025704644 [1,1,0,0,0,0|1,0,1]=4 5192 B7R0.1 COCCCCSC 34a_100011217163_200000210301 [1,1,0,0,0,0|1,0,1]=4 5193 B7R0.1 COCCCCSC 62a_100000730899_200000210301 [1,1,0,0,0,0|1,0,1]=4 5194 B7R0.1 COCCCCSC 62a_200000210301_100000730899 [1,1,0,0,0,0|1,0,1]=4 5195 B7R0.1 COCCCCSC 7a_100011217163_200000210301 [1,1,0,0,0,0|1,0,1]=4 5196 B7R0.1 COCCCCS[13CH3] 62a_100000730899_200025704644 [1,1,0,0,0,0|1,0,1]=4 5197 B7R0.1 COCCCCS[13CH3] 62a_200025704644_100000730899 [1,1,0,0,0,0|1,0,1]=4 5198 B7R0.1 COCCCNCF 34a_100150723488_100015361967 [1,1,0,0,0,0|2,0,0]=4 5199 B7R0.1 COCCCOCF 34a_100000740835_100015361967 [1,1,0,0,0,0|2,0,0]=4 5200 B7R0.1 COCCCSCF 62a_100000709357_100015361967 [1,1,0,0,0,0|2,0,0]=4 5201 B7R0.1 COCCCSCF 62a_100015361967_100000709357 [1,1,0,0,0,0|2,0,0]=4 5202 B7R0.1 COCCNCCF 2230a_100000209980_100011217306 [1,1,0,0,0,0|2,0,0]=4 5203 B7R0.1 COCCNCCF 34a_100000724931_100011201679 [1,1,0,0,0,0|2,0,0]=4 5204 B7R0.1 COCCNCCO 2230a_100000209980_100000211926 [1,1,0,0,0,0|2,0,0]=4 5205 B7R0.1 COCCNCCO 2230a_100016997473_100011201679 [1,1,0,0,0,0|2,0,0]=4 5206 B7R0.1 COCCNCCO 34a_100016990907_100011201679 [1,1,0,0,0,0|2,0,0]=4 5207 B7R0.1 COCCNCOC 2230a_100000209980_100000766300 [1,1,0,0,0,0|2,0,0]=4 5208 B7R0.1 COCCNCSC 2230a_100000209980_100011218213 [1,1,0,0,0,0|2,0,0]=4 5209 B7R0.1 COCCOCCBr 34a_100000211926_100011201679 [1,1,0,0,0,0|2,0,0]=4 5210 B7R0.1 COCCOCCBr 34a_100000692535_200000210301 [1,1,0,0,0,0|2,0,0]=4 5211 B7R0.1 COCCOCCBr 7a_100000692535_200000210301 [1,1,0,0,0,0|2,0,0]=4 5212 B7R0.1 COCCOCCCl 34a_100011215305_200000210301 [1,1,0,0,0,0|2,0,0]=4 5213 B7R0.1 COCCOCCCl 7a_100011215305_200000210301 [1,1,0,0,0,0|2,0,0]=4 5214 B7R0.1 COCCOCCF 34a_100000210237_100011217306 [1,1,0,0,0,0|2,0,0]=4 5215 B7R0.1 COCCOCCF 34a_200015357709_200000210301 [1,1,0,0,0,0|2,0,0]=4 5216 B7R0.1 COCCOCCF 7a_200015357709_200000210301 [1,1,0,0,0,0|2,0,0]=4 5217 B7R0.1 COCCOCCI 34a_100012149058_200000210301 [1,1,0,0,0,0|2,0,0]=4 5218 B7R0.1 COCCOCCI 7a_100012149058_200000210301 [1,1,0,0,0,0|2,0,0]=4 5219 B7R0.1 COCCOCCN 34a_100000210304_100011201679 [1,1,0,0,0,0|2,0,0]=4 5220 B7R0.1 COCCOCCN 34a_100000211614_200000210301 [1,1,0,0,0,0|2,0,0]=4 5221 B7R0.1 COCCOCCO 34a_100000210237_100000211926 [1,1,0,0,0,0|2,0,0]=4 5222 B7R0.1 COCCOCCO 34a_100138415774_100000692535 [1,1,0,0,0,0|2,0,0]=4 5223 B7R0.1 COCCOCSC 34a_100000210237_100011218213 [1,1,0,0,0,0|2,0,0]=4 5224 B7R0.1 COCCOCSC 62a_100000231047_200000210301 [1,1,0,0,0,0|2,0,0]=4 5225 B7R0.1 COCCOCSC 62a_200000210301_100000231047 [1,1,0,0,0,0|2,0,0]=4 5226 B7R0.1 COCCOCS[13CH3] 62a_100000231047_200025704644 [1,1,0,0,0,0|2,0,0]=4 5227 B7R0.1 COCCOCS[13CH3] 62a_200025704644_100000231047 [1,1,0,0,0,0|2,0,0]=4 5228 B7R0.1 COCCSCCF 62a_100000233755_100011217306 [1,1,0,0,0,0|2,0,0]=4 5229 B7R0.1 COCCSCCF 62a_100011217306_100000233755 [1,1,0,0,0,0|2,0,0]=4 5230 B7R0.1 COCCSCCO 62a_100000211926_100000233755 [1,1,0,0,0,0|2,0,0]=4 5231 B7R0.1 COCCSCCO 62a_100000233755_100000211926 [1,1,0,0,0,0|2,0,0]=4 5232 B7R0.1 COCCSCOC 62a_100000233755_100000766300 [1,1,0,0,0,0|2,0,0]=4 5233 B7R0.1 COCCSCOC 62a_100000766300_100000233755 [1,1,0,0,0,0|2,0,0]=4 5234 B7R0.1 COCCSCSC 62a_100000233755_100011218213 [1,1,0,0,0,0|2,0,0]=4 5235 B7R0.1 COCCSCSC 62a_100011218213_100000233755 [1,1,0,0,0,0|2,0,0]=4 5236 B7R0.1 COCNCCCF 2230a_100015189416_100000766300 [1,1,0,0,0,0|2,0,0]=4 5237 B7R0.1 COCNCCSC 2230a_100020590264_100000766300 [1,1,0,0,0,0|2,0,0]=4 5238 B7R0.1 COCSCCCF 62a_100000766300_100011934791 [1,1,0,0,0,0|2,0,0]=4 5239 B7R0.1 COCSCCCF 62a_100011934791_100000766300 [1,1,0,0,0,0|2,0,0]=4 5240 B7R0.1 COCSCCCO 62a_100000766300_100011215043 [1,1,0,0,0,0|2,0,0]=4 5241 B7R0.1 COCSCCCO 62a_100011215043_100000766300 [1,1,0,0,0,0|2,0,0]=4 5242 B7R0.1 COCSCCSC 62a_100000212216_100000766300 [1,1,0,0,0,0|2,0,0]=4 5243 B7R0.1 COCSCCSC 62a_100000766300_100000751147 [1,1,0,0,0,0|2,0,0]=4 5244 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [1,1,0,0,0,0|1,0,1]=4 5245 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [1,1,0,0,0,0|1,0,1]=4 5246 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [1,1,0,0,0,0|1,0,1]=4 5247 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [1,1,0,0,0,0|1,0,1]=4 5248 B7R0.1 CSCCCCO[13CH3] 34a_100011217163_200025704644 [1,1,0,0,0,0|1,0,1]=4 5249 B7R0.1 CSCCCCO[13CH3] 7a_100011217163_200025704644 [1,1,0,0,0,0|1,0,1]=4 5250 B7R0.1 CSCCCOCF 34a_100000690336_100015361967 [1,1,0,0,0,0|2,0,0]=4 5251 B7R0.1 CSCCCOCF 7a_100000690336_100015361967 [1,1,0,0,0,0|2,0,0]=4 5252 B7R0.1 CSCCNCCF 2230a_100020590264_100011217306 [1,1,0,0,0,0|2,0,0]=4 5253 B7R0.1 CSCCNCCF 34a_100000724931_100000212216 [1,1,0,0,0,0|2,0,0]=4 5254 B7R0.1 CSCCNCCO 2230a_100016997473_100000751147 [1,1,0,0,0,0|2,0,0]=4 5255 B7R0.1 CSCCNCCO 2230a_100020590264_100000211926 [1,1,0,0,0,0|2,0,0]=4 5256 B7R0.1 CSCCNCCO 34a_100016990907_100000212216 [1,1,0,0,0,0|2,0,0]=4 5257 B7R0.1 CSCCNCSC 2230a_100020590264_100011218213 [1,1,0,0,0,0|2,0,0]=4 5258 B7R0.1 CSCCOCCBr 34a_100000211926_100000212216 [1,1,0,0,0,0|2,0,0]=4 5259 B7R0.1 CSCCOCCF 34a_100000230434_100011217306 [1,1,0,0,0,0|2,0,0]=4 5260 B7R0.1 CSCCOCCF 7a_100000230434_100011217306 [1,1,0,0,0,0|2,0,0]=4 5261 B7R0.1 CSCCOCCN 34a_100000210304_100000212216 [1,1,0,0,0,0|2,0,0]=4 5262 B7R0.1 CSCCOCCO 34a_100000230434_100000211926 [1,1,0,0,0,0|2,0,0]=4 5263 B7R0.1 CSCCOCCO 62a_100011215305_200000210301 [1,1,0,0,0,0|2,0,0]=4 5264 B7R0.1 CSCCOCCO 62a_200000210301_100011215305 [1,1,0,0,0,0|2,0,0]=4 5265 B7R0.1 CSCCOCCO 7a_100000230434_100000211926 [1,1,0,0,0,0|2,0,0]=4 5266 B7R0.1 CSCCOCSC 34a_100000230434_100011218213 [1,1,0,0,0,0|2,0,0]=4 5267 B7R0.1 CSCCSCCF 62a_100000212216_100011217306 [1,1,0,0,0,0|2,0,0]=4 5268 B7R0.1 CSCCSCCF 62a_100011217306_100000751147 [1,1,0,0,0,0|2,0,0]=4 5269 B7R0.1 CSCCSCCO 62a_100000211926_100000751147 [1,1,0,0,0,0|2,0,0]=4 5270 B7R0.1 CSCCSCCO 62a_100000212216_100000211926 [1,1,0,0,0,0|2,0,0]=4 5271 B7R0.1 CSCCSCSC 62a_100000212216_100011218213 [1,1,0,0,0,0|2,0,0]=4 5272 B7R0.1 CSCCSCSC 62a_100011218213_100000751147 [1,1,0,0,0,0|2,0,0]=4 5273 B7R0.1 CSCNCCCF 2230a_100015189416_100011218213 [1,1,0,0,0,0|2,0,0]=4 5274 B7R0.1 CSCNCCCF 34a_100015189416_100011218213 [1,1,0,0,0,0|2,0,0]=4 5275 B7R0.1 CSCOCCCBr 34a_100011217188_100011218213 [1,1,0,0,0,0|2,0,0]=4 5276 B7R0.1 CSCOCCCCl 34a_100000230001_100011218213 [1,1,0,0,0,0|2,0,0]=4 5277 B7R0.1 CSCOCCCF 34a_100000759539_100011218213 [1,1,0,0,0,0|2,0,0]=4 5278 B7R0.1 CSCOCCCN 34a_100000182051_100011218213 [1,1,0,0,0,0|2,0,0]=4 5279 B7R0.1 CSCSCCCF 62a_100011218213_100011934791 [1,1,0,0,0,0|2,0,0]=4 5280 B7R0.1 CSCSCCCF 62a_100011934791_100011218213 [1,1,0,0,0,0|2,0,0]=4 5281 B7R0.1 CSCSCCCO 62a_100011215043_100011218213 [1,1,0,0,0,0|2,0,0]=4 5282 B7R0.1 CSCSCCCO 62a_100011218213_100011215043 [1,1,0,0,0,0|2,0,0]=4 5283 B7R0.1 FCCCCOCF 34a_100011995726_100015361967 [1,1,0,0,0,0|2,0,0]=4 5284 B7R0.1 FCCCCOCF 7a_100011995726_100015361967 [1,1,0,0,0,0|2,0,0]=4 5285 B7R0.1 FCCCCSCF 62a_100000729493_100015361967 [1,1,0,0,0,0|2,0,0]=4 5286 B7R0.1 FCCCCSCF 62a_100015361967_100000729493 [1,1,0,0,0,0|2,0,0]=4 5287 B7R0.1 FCCCNCCF 2230a_100015189416_100011217306 [1,1,0,0,0,0|2,0,0]=4 5288 B7R0.1 FCCCNCCF 34a_100000724931_100011934791 [1,1,0,0,0,0|2,0,0]=4 5289 B7R0.1 FCCCNCCF 34a_100015189416_100011217306 [1,1,0,0,0,0|2,0,0]=4 5290 B7R0.1 FCCCOCCBr 34a_100000211926_100011934791 [1,1,0,0,0,0|2,0,0]=4 5291 B7R0.1 FCCCOCCF 34a_100000759539_100011217306 [1,1,0,0,0,0|2,0,0]=4 5292 B7R0.1 FCCCSCCF 62a_100011217306_100011934791 [1,1,0,0,0,0|2,0,0]=4 5293 B7R0.1 FCCCSCCF 62a_100011934791_100011217306 [1,1,0,0,0,0|2,0,0]=4 5294 B7R0.1 FCCOCCCBr 34a_100011217188_100011217306 [1,1,0,0,0,0|2,0,0]=4 5295 B7R0.1 FCCOCCCCl 34a_100000230001_100011217306 [1,1,0,0,0,0|2,0,0]=4 5296 B7R0.1 FCOCCCCBr 34a_100011216708_100015361967 [1,1,0,0,0,0|2,0,0]=4 5297 B7R0.1 FCOCCCCCl 34a_100000210776_100015361967 [1,1,0,0,0,0|2,0,0]=4 5298 B7R0.1 FCOCCCCCl 7a_100000210776_100015361967 [1,1,0,0,0,0|2,0,0]=4 5299 B7R0.1 FCOCCCCI 34a_200012148704_100015361967 [1,1,0,0,0,0|2,0,0]=4 5300 B7R0.1 NCCCCOCF 34a_100000750430_100015361967 [1,1,0,0,0,0|2,0,0]=4 5301 B7R0.1 NCCCOCCF 34a_100000182051_100011217306 [1,1,0,0,0,0|2,0,0]=4 5302 B7R0.1 NCCCOCCO 34a_100000182051_100000211926 [1,1,0,0,0,0|2,0,0]=4 5303 B7R0.1 NCCOCCCF 34a_100000210304_100011934791 [1,1,0,0,0,0|2,0,0]=4 5304 B7R0.1 NCCOCCCO 34a_100000210304_100000230001 [1,1,0,0,0,0|2,0,0]=4 5305 B7R0.1 OCCCCNCF 34a_100000750430_100015361967 [1,1,0,0,0,0|2,0,0]=4 5306 B7R0.1 OCCCCSCF 62a_100000210776_100015361967 [1,1,0,0,0,0|2,0,0]=4 5307 B7R0.1 OCCCCSCF 62a_100015361967_100000210776 [1,1,0,0,0,0|2,0,0]=4 5308 B7R0.1 OCCCNCCF 34a_100000724931_100000230001 [1,1,0,0,0,0|2,0,0]=4 5309 B7R0.1 OCCCNCCO 2230a_100016997473_100000230001 [1,1,0,0,0,0|2,0,0]=4 5310 B7R0.1 OCCCNCCO 34a_100016990907_100000230001 [1,1,0,0,0,0|2,0,0]=4 5311 B7R0.1 OCCCOCCBr 34a_100000211926_100000230001 [1,1,0,0,0,0|2,0,0]=4 5312 B7R0.1 OCCCSCCF 62a_100011215043_100011217306 [1,1,0,0,0,0|2,0,0]=4 5313 B7R0.1 OCCCSCCF 62a_100011217306_100011215043 [1,1,0,0,0,0|2,0,0]=4 5314 B7R0.1 OCCCSCCO 62a_100000211926_100011215043 [1,1,0,0,0,0|2,0,0]=4 5315 B7R0.1 OCCCSCCO 62a_100011215043_100000211926 [1,1,0,0,0,0|2,0,0]=4 5316 B7R0.1 OCCNCCCF 2230a_100015189416_100000211926 [1,1,0,0,0,0|2,0,0]=4 5317 B7R0.1 OCCNCCCF 2230a_100016997473_100011934791 [1,1,0,0,0,0|2,0,0]=4 5318 B7R0.1 OCCNCCCF 34a_100015189416_100000211926 [1,1,0,0,0,0|2,0,0]=4 5319 B7R0.1 OCCNCCCF 34a_100016990907_100011934791 [1,1,0,0,0,0|2,0,0]=4 5320 B7R0.1 OCCOCCCBr 34a_100011217188_100000211926 [1,1,0,0,0,0|2,0,0]=4 5321 B7R0.1 OCCOCCCCl 34a_100000230001_100000211926 [1,1,0,0,0,0|2,0,0]=4 5322 B7R0.1 OCCOCCCF 34a_100000759539_100000211926 [1,1,0,0,0,0|2,0,0]=4 5323 B7R0.1 OCCSCCCF 62a_100000211926_100011934791 [1,1,0,0,0,0|2,0,0]=4 5324 B7R0.1 OCCSCCCF 62a_100011934791_100000211926 [1,1,0,0,0,0|2,0,0]=4 5325 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [1,1,0,0,0,0|1,0,1]=4 5326 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [1,1,0,0,0,0|1,0,1]=4 5327 B7R0.1 [13CH3]NCCOCCO 2230a_100000211614_200025704644 [1,1,0,0,0,0|2,0,0]=4 5328 B7R0.1 [13CH3]NCCOCCO 34a_100000211614_200025704644 [1,1,0,0,0,0|2,0,0]=4 5329 B7R0.1 [13CH3]NCCSCCO 2230a_100011219999_200025704644 [1,1,0,0,0,0|2,0,0]=4 5330 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [1,1,0,0,0,0|1,0,1]=4 5331 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [1,1,0,0,0,0|1,0,1]=4 5332 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [1,1,0,0,0,0|1,0,1]=4 5333 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [1,1,0,0,0,0|1,0,1]=4 5334 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [1,1,0,0,0,0|1,0,1]=4 5335 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [1,1,0,0,0,0|1,0,1]=4 5336 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [1,1,0,0,0,0|1,0,1]=4 5337 B7R0.1 [13CH3]OCCOCCBr 34a_100000692535_200025704644 [1,1,0,0,0,0|2,0,0]=4 5338 B7R0.1 [13CH3]OCCOCCBr 7a_100000692535_200025704644 [1,1,0,0,0,0|2,0,0]=4 5339 B7R0.1 [13CH3]OCCOCCCl 34a_100011215305_200025704644 [1,1,0,0,0,0|2,0,0]=4 5340 B7R0.1 [13CH3]OCCOCCCl 7a_100011215305_200025704644 [1,1,0,0,0,0|2,0,0]=4 5341 B7R0.1 [13CH3]OCCOCCF 34a_200015357709_200025704644 [1,1,0,0,0,0|2,0,0]=4 5342 B7R0.1 [13CH3]OCCOCCF 7a_200015357709_200025704644 [1,1,0,0,0,0|2,0,0]=4 5343 B7R0.1 [13CH3]OCCOCCI 34a_100012149058_200025704644 [1,1,0,0,0,0|2,0,0]=4 5344 B7R0.1 [13CH3]OCCOCCI 7a_100012149058_200025704644 [1,1,0,0,0,0|2,0,0]=4 5345 B7R0.1 [13CH3]OCCOCCN 34a_100000211614_200025704644 [1,1,0,0,0,0|2,0,0]=4 5346 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [1,1,0,0,0,0|1,0,1]=4 5347 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [1,1,0,0,0,0|1,0,1]=4 5348 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [1,1,0,0,0,0|1,0,1]=4 5349 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [1,1,0,0,0,0|1,0,1]=4 5350 B7R0.1 [13CH3]SCCOCCO 62a_100011215305_200025704644 [1,1,0,0,0,0|2,0,0]=4 5351 B7R0.1 [13CH3]SCCOCCO 62a_200025704644_100011215305 [1,1,0,0,0,0|2,0,0]=4 5352 B9R0.4 C#CCCC(=O)CC(=C)C 1458a_100000692101_100000748629 [0,2,0,0,0,0|0,0,2]=4 5353 B9R0.4 C#CCCC(=O)CC(C)C 1458a_100000210554_100000753159 [0,2,0,0,0,0|0,0,2]=4 5354 B9R0.4 C#CCCC(=O)CC(C)C 1458a_100000692101_100000210624 [0,2,0,0,0,0|0,0,2]=4 5355 B9R0.4 C#CCCC(=O)CC(C)O 1458a_100000692101_100011218427 [0,2,0,0,0,0|0,0,2]=4 5356 B9R0.4 C#CCCC(=O)CC(F)F 1458a_100000692101_100011934356 [0,2,0,0,0,0|0,0,2]=4 5357 B9R0.4 C#CCCC(=O)CN(C)C 1458a_100000750896_100000753159 [0,2,0,0,0,0|0,0,2]=4 5358 B9R0.4 C#CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000753159 [0,2,0,0,0,0|0,0,2]=4 5359 B9R0.4 C#CCCC(=O)C[S+](C)C 1458a_200159257847_100000753159 [0,2,0,0,0,0|0,0,2]=4 5360 B9R0.4 C#CCCC(=O)NC(C)C 11a_100138425928_100000692101 [0,2,0,0,0,0|0,0,2]=4 5361 B9R0.4 C#CCCC(=O)NC(C)C 1626a_100138425928_100000692101 [0,2,0,0,0,0|0,0,2]=4 5362 B9R0.4 C#CCCC(=O)NC(C)C 240690a_100138425928_100000692101 [0,2,0,0,0,0|0,0,2]=4 5363 B9R0.4 C#CCCC(=O)NC(C)C 527a_100138425928_100000692101 [0,2,0,0,0,0|0,0,2]=4 5364 B9R0.4 C/C=C/CC(=O)CC(C)C 1458a_100000210554_100102629194 [0,2,0,0,0,0|0,0,2]=4 5365 B9R0.4 C/C=C/CC(=O)CN(C)C 1458a_100000750896_100102629194 [0,2,0,0,0,0|0,0,2]=4 5366 B9R0.4 C/C=C/CC(=O)C[C@@H](C)O 1458a_100011933948_100102629194 [0,2,0,0,0,0|0,0,2]=4 5367 B9R0.4 C/C=C/CC(=O)C[S+](C)C 1458a_200159257847_100102629194 [0,2,0,0,0,0|0,0,2]=4 5368 B9R0.4 C=C(C)CC(=O)C#CCC 1458a_100011827653_100000748629 [0,2,0,0,0,0|0,0,2]=4 5369 B9R0.4 C=C(C)CC(=O)C=CCC 1458a_100000212282_100000748629 [0,2,0,0,0,0|0,0,2]=4 5370 B9R0.4 C=C(C)CC(=O)CC=CC 1458a_100121576822_100000748629 [0,2,0,0,0,0|0,0,2]=4 5371 B9R0.4 C=C(C)CC(=O)CCC#N 1458a_100011934036_100000748629 [0,2,0,0,0,0|1,0,1]=4 5372 B9R0.4 C=C(C)CC(=O)CCCC 1458a_100000210183_100000748629 [0,2,0,0,0,0|0,0,0]=2 5373 B9R0.4 C=C(C)CC(=O)CCOC 1458a_100000749529_100000748629 [0,2,0,0,0,0|1,0,0]=3 5374 B9R0.4 C=C(C)CC(=O)CCSC 1458a_100000174002_100000748629 [0,2,0,0,0,0|1,0,0]=3 5375 B9R0.4 C=C(C)CC(=O)COCC 1458a_100000211967_100000748629 [0,2,0,0,0,0|1,0,0]=3 5376 B9R0.4 C=C(C)CC(=O)CSCC 1458a_100000230394_100000748629 [0,2,0,0,0,0|1,0,0]=3 5377 B9R0.4 C=C(C)CN(C)CCCC 2230a_100000207549_100000748629 [0,2,0,0,0,0|2,0,0]=4 5378 B9R0.4 C=C(C)CN(C)CCCC 2230a_100000225649_100000210211 [0,2,0,0,0,0|2,0,0]=4 5379 B9R0.4 C=C(C)CN(C)CCCC 269982a_100000207549_100000748629 [0,2,0,0,0,0|2,0,0]=4 5380 B9R0.4 C=C(C)CN(C)CCCC 269982a_100000225649_100000210211 [0,2,0,0,0,0|2,0,0]=4 5381 B9R0.4 C=C(F)CC(=O)CCCC 1458a_100000210183_100009893438 [0,2,0,0,0,0|0,0,1]=3 5382 B9R0.4 C=C(F)CC(=O)CCOC 1458a_100000749529_100009893438 [0,2,0,0,0,0|1,0,1]=4 5383 B9R0.4 C=C(F)CC(=O)CCSC 1458a_100000174002_100009893438 [0,2,0,0,0,0|1,0,1]=4 5384 B9R0.4 C=C(F)CC(=O)COCC 1458a_100000211967_100009893438 [0,2,0,0,0,0|1,0,1]=4 5385 B9R0.4 C=C(F)CC(=O)CSCC 1458a_100000230394_100009893438 [0,2,0,0,0,0|1,0,1]=4 5386 B9R0.4 C=CCCC(=O)CC(=C)C 1458a_100000749702_100000748629 [0,2,0,0,0,0|0,0,2]=4 5387 B9R0.4 C=CCCC(=O)CC(C)C 1458a_100000210554_100000754431 [0,2,0,0,0,0|0,0,2]=4 5388 B9R0.4 C=CCCC(=O)CC(C)C 1458a_100000749702_100000210624 [0,2,0,0,0,0|0,0,2]=4 5389 B9R0.4 C=CCCC(=O)CC(C)O 1458a_100000749702_100011218427 [0,2,0,0,0,0|0,0,2]=4 5390 B9R0.4 C=CCCC(=O)CC(F)F 1458a_100000749702_100011934356 [0,2,0,0,0,0|0,0,2]=4 5391 B9R0.4 C=CCCC(=O)CN(C)C 1458a_100000750896_100000754431 [0,2,0,0,0,0|0,0,2]=4 5392 B9R0.4 C=CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000754431 [0,2,0,0,0,0|0,0,2]=4 5393 B9R0.4 C=CCCC(=O)C[S+](C)C 1458a_200159257847_100000754431 [0,2,0,0,0,0|0,0,2]=4 5394 B9R0.4 C=CCCC(=O)NC(C)C 11a_100138425928_100000749702 [0,2,0,0,0,0|0,0,2]=4 5395 B9R0.4 C=CCCC(=O)NC(C)C 1626a_100138425928_100000749702 [0,2,0,0,0,0|0,0,2]=4 5396 B9R0.4 C=CCCC(=O)NC(C)C 240690a_100138425928_100000749702 [0,2,0,0,0,0|0,0,2]=4 5397 B9R0.4 C=CCCC(=O)NC(C)C 527a_100138425928_100000749702 [0,2,0,0,0,0|0,0,2]=4 5398 B9R0.4 CC#CCC(=O)CC(C)C 1458a_100000210554_100000748600 [0,2,0,0,0,0|0,0,2]=4 5399 B9R0.4 CC#CCC(=O)CN(C)C 1458a_100000750896_100000748600 [0,2,0,0,0,0|0,0,2]=4 5400 B9R0.4 CC#CCC(=O)C[C@@H](C)O 1458a_100011933948_100000748600 [0,2,0,0,0,0|0,0,2]=4 5401 B9R0.4 CC#CCC(=O)C[S+](C)C 1458a_200159257847_100000748600 [0,2,0,0,0,0|0,0,2]=4 5402 B9R0.4 CC(=CC(=O)CCCF)C 1458a_100000211388_100011934791 [0,2,0,0,0,0|1,0,1]=4 5403 B9R0.4 CC(=CC(=O)CCCF)Cl 1458a_200042562850_100011934791 [0,2,0,0,0,0|1,0,1]=4 5404 B9R0.4 CC(=CC(=O)CCCF)I 1458a_100025716642_100011934791 [0,2,0,0,0,0|1,0,1]=4 5405 B9R0.4 CC(=CC(=O)CCCO)C 1458a_100000211388_100011215043 [0,2,0,0,0,0|1,0,1]=4 5406 B9R0.4 CC(=CC(=O)CCCO)Cl 1458a_200042562850_100011215043 [0,2,0,0,0,0|1,0,1]=4 5407 B9R0.4 CC(=CC(=O)CCCO)I 1458a_100025716642_100011215043 [0,2,0,0,0,0|1,0,1]=4 5408 B9R0.4 CC(C)CC(=O)CCC#N 1458a_100000210554_100011215226 [0,2,0,0,0,0|1,0,1]=4 5409 B9R0.4 CC(C)CC(=O)CCC#N 1458a_100011934036_100000210624 [0,2,0,0,0,0|1,0,1]=4 5410 B9R0.4 CC(C)CC(=O)CCCF 1458a_100000210554_100011934791 [0,2,0,0,0,0|1,0,0]=3 5411 B9R0.4 CC(C)CC(=O)CCCO 1458a_100000210554_100011215043 [0,2,0,0,0,0|1,0,0]=3 5412 B9R0.4 CC(C)CC(=O)NCCF 11a_100000724931_100000210554 [0,2,0,0,0,0|2,0,0]=4 5413 B9R0.4 CC(C)CC(=O)NCCF 1626a_100000724931_100000210554 [0,2,0,0,0,0|2,0,0]=4 5414 B9R0.4 CC(C)CC(=O)NCCF 240690a_100000724931_100000210554 [0,2,0,0,0,0|2,0,0]=4 5415 B9R0.4 CC(C)CC(=O)NCCF 527a_100000724931_100000210554 [0,2,0,0,0,0|2,0,0]=4 5416 B9R0.4 CC(C)CC(=O)NCCO 240690a_100000210304_100000210554 [0,2,0,0,0,0|2,0,0]=4 5417 B9R0.4 CC(C)CC(=O)NCCO 527a_100000210304_100000210554 [0,2,0,0,0,0|2,0,0]=4 5418 B9R0.4 CC(C)NC(=O)CCC#N 11a_100138425928_100011934036 [0,2,0,0,0,0|1,0,1]=4 5419 B9R0.4 CC(C)NC(=O)CCC#N 1626a_100138425928_100011934036 [0,2,0,0,0,0|1,0,1]=4 5420 B9R0.4 CC(C)NC(=O)CCC#N 240690a_100138425928_100011934036 [0,2,0,0,0,0|1,0,1]=4 5421 B9R0.4 CC(C)NC(=O)CCC#N 527a_100138425928_100011934036 [0,2,0,0,0,0|1,0,1]=4 5422 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_100000737564_200025704644 [0,2,0,0,0,0|1,0,0]=3 5423 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_200025704644_100000737564 [0,2,0,0,0,0|1,0,0]=3 5424 B9R0.4 CC(C)NC(=O)CSCF 62a_100000183996_100015361967 [0,2,0,0,0,0|2,0,0]=4 5425 B9R0.4 CC(C)NC(=O)CSCF 62a_100015361967_100000183996 [0,2,0,0,0,0|2,0,0]=4 5426 B9R0.4 CC(C)NC(=O)NCCF 2708a_100138425928_100000724931 [0,2,0,0,0,0|2,0,0]=4 5427 B9R0.4 CC(C)NC(=O)NCCF 273464a_100138425928_100000724931 [0,2,0,0,0,0|2,0,0]=4 5428 B9R0.4 CC(C)NC(=O)NCCF 512a_100138425928_100000724931 [0,2,0,0,0,0|2,0,0]=4 5429 B9R0.4 CC(C)NC(=O)NCCO 2708a_100138425928_100000210304 [0,2,0,0,0,0|2,0,0]=4 5430 B9R0.4 CC(C)NC(=O)NCCO 273464a_100138425928_100000210304 [0,2,0,0,0,0|2,0,0]=4 5431 B9R0.4 CC(C)NC(=O)NCCO 512a_100138425928_100000210304 [0,2,0,0,0,0|2,0,0]=4 5432 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_100000760027_200025704644 [0,2,0,0,0,0|1,0,0]=3 5433 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_200025704644_100000760027 [0,2,0,0,0,0|1,0,0]=3 5434 B9R0.4 CC(C)OC(=O)CSCF 62a_100011215430_100015361967 [0,2,0,0,0,0|2,0,0]=4 5435 B9R0.4 CC(C)OC(=O)CSCF 62a_100015361967_100011215430 [0,2,0,0,0,0|2,0,0]=4 5436 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_100000003507_200025704644 [0,2,0,0,0,0|2,0,0]=4 5437 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_200025704644_100000003507 [0,2,0,0,0,0|2,0,0]=4 5438 B9R0.4 CC(O)CC(=O)CCC#N 1458a_100011934036_100011218427 [0,2,0,0,0,0|1,0,1]=4 5439 B9R0.4 CC=CCC(=O)CC(C)C 1458a_100000210554_100000070051 [0,2,0,0,0,0|0,0,2]=4 5440 B9R0.4 CC=CCC(=O)CC(C)C 1458a_100121576822_100000210624 [0,2,0,0,0,0|0,0,2]=4 5441 B9R0.4 CC=CCC(=O)CC(C)O 1458a_100121576822_100011218427 [0,2,0,0,0,0|0,0,2]=4 5442 B9R0.4 CC=CCC(=O)CC(F)F 1458a_100121576822_100011934356 [0,2,0,0,0,0|0,0,2]=4 5443 B9R0.4 CC=CCC(=O)CN(C)C 1458a_100000750896_100000070051 [0,2,0,0,0,0|0,0,2]=4 5444 B9R0.4 CC=CCC(=O)C[C@@H](C)O 1458a_100011933948_100000070051 [0,2,0,0,0,0|0,0,2]=4 5445 B9R0.4 CC=CCC(=O)C[S+](C)C 1458a_200159257847_100000070051 [0,2,0,0,0,0|0,0,2]=4 5446 B9R0.4 CC=CCC(=O)NC(C)C 11a_100138425928_100121576822 [0,2,0,0,0,0|0,0,2]=4 5447 B9R0.4 CC=CCC(=O)NC(C)C 1626a_100138425928_100121576822 [0,2,0,0,0,0|0,0,2]=4 5448 B9R0.4 CC=CCC(=O)NC(C)C 240690a_100138425928_100121576822 [0,2,0,0,0,0|0,0,2]=4 5449 B9R0.4 CC=CCC(=O)NC(C)C 527a_100138425928_100121576822 [0,2,0,0,0,0|0,0,2]=4 5450 B9R0.4 CCC#CC(=O)CC(C)C 1458a_100011827653_100000210624 [0,2,0,0,0,0|0,0,2]=4 5451 B9R0.4 CCC#CC(=O)CC(C)O 1458a_100011827653_100011218427 [0,2,0,0,0,0|0,0,2]=4 5452 B9R0.4 CCC#CC(=O)CC(F)F 1458a_100011827653_100011934356 [0,2,0,0,0,0|0,0,2]=4 5453 B9R0.4 CCC=CC(=O)CC(C)C 1458a_100000212282_100000210624 [0,2,0,0,0,0|0,0,2]=4 5454 B9R0.4 CCC=CC(=O)CC(C)O 1458a_100000212282_100011218427 [0,2,0,0,0,0|0,0,2]=4 5455 B9R0.4 CCC=CC(=O)CC(F)F 1458a_100000212282_100011934356 [0,2,0,0,0,0|0,0,2]=4 5456 B9R0.4 CCC=CC(=O)NC(C)C 11a_100138425928_100000212282 [0,2,0,0,0,0|0,0,2]=4 5457 B9R0.4 CCC=CC(=O)NC(C)C 1626a_100138425928_100000212282 [0,2,0,0,0,0|0,0,2]=4 5458 B9R0.4 CCC=CC(=O)NC(C)C 240690a_100138425928_100000212282 [0,2,0,0,0,0|0,0,2]=4 5459 B9R0.4 CCCCC(=O)C=C(C)C 1458a_100000211388_100000210211 [0,2,0,0,0,0|0,0,1]=3 5460 B9R0.4 CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210211 [0,2,0,0,0,0|0,0,1]=3 5461 B9R0.4 CCCCC(=O)C=C(C)I 1458a_100025716642_100000210211 [0,2,0,0,0,0|0,0,1]=3 5462 B9R0.4 CCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210211 [0,2,0,0,0,0|0,0,2]=4 5463 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100000210183_100000187820 [0,2,0,0,0,0|0,0,1]=3 5464 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100134613110_100000210211 [0,2,0,0,0,0|0,0,1]=3 5465 B9R0.4 CCCCC(=O)CC(=O)[O-] 1458a_100000210183_100020667443 [0,2,0,0,0,0|0,0,1]=3 5466 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210183_100000210624 [0,2,0,0,0,0|0,0,0]=2 5467 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210554_100000210211 [0,2,0,0,0,0|0,0,0]=2 5468 B9R0.4 CCCCC(=O)CC(C)O 1458a_100000210183_100011218427 [0,2,0,0,0,0|0,0,0]=2 5469 B9R0.4 CCCCC(=O)CC(F)F 1458a_100000210183_100011934356 [0,2,0,0,0,0|0,0,0]=2 5470 B9R0.4 CCCCC(=O)CN(C)C 1458a_100000750896_100000210211 [0,2,0,0,0,0|0,0,0]=2 5471 B9R0.4 CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210211 [0,2,0,0,0,0|0,0,0]=2 5472 B9R0.4 CCCCC(=O)C[N+](=O)[O-] 1458a_100000210183_100000761209 [0,2,0,0,0,0|1,0,0]=3 5473 B9R0.4 CCCCC(=O)C[S+](C)C 1458a_200159257847_100000210211 [0,2,0,0,0,0|0,0,0]=2 5474 B9R0.4 CCCCC(=O)NC(C)C 11a_100138425928_100000210183 [0,2,0,0,0,0|0,0,0]=2 5475 B9R0.4 CCCCC(=O)NC(C)C 1626a_100138425928_100000210183 [0,2,0,0,0,0|0,0,0]=2 5476 B9R0.4 CCCCC(=O)NC(C)C 240690a_100138425928_100000210183 [0,2,0,0,0,0|0,0,0]=2 5477 B9R0.4 CCCCC(=O)NC(C)C 527a_100138425928_100000210183 [0,2,0,0,0,0|0,0,0]=2 5478 B9R0.4 CCCCC(C)NC(C)C 2230a_100000126638_100000210206 [0,2,0,0,0,0|1,0,1]=4 5479 B9R0.4 CCCCC(C)NC(C)C 2230a_100138425928_200011215066 [0,2,0,0,0,0|1,0,1]=4 5480 B9R0.4 CCCCC(C)NC(C)C 34a_100138425928_200011215066 [0,2,0,0,0,0|1,0,1]=4 5481 B9R0.4 CCCCC(C)OC(C)C 34a_100000212225_200011215066 [0,2,0,0,0,0|1,0,1]=4 5482 B9R0.4 CCCCC(C)OC(C)C 34a_100000687866_100000210206 [0,2,0,0,0,0|1,0,1]=4 5483 B9R0.4 CCCCC(C)OC(C)C 7a_100000687866_100000210206 [0,2,0,0,0,0|1,0,1]=4 5484 B9R0.4 CCCCC(C)SC(C)C 62a_100000210206_200011215066 [0,2,0,0,0,0|1,0,1]=4 5485 B9R0.4 CCCCC(C)SC(C)C 62a_200011215066_100000210206 [0,2,0,0,0,0|1,0,1]=4 5486 B9R0.4 CCCCN(C)CC(C)C 2230a_100000207549_100000210760 [0,2,0,0,0,0|2,0,0]=4 5487 B9R0.4 CCCCN(C)CC(C)C 2230a_100000747067_100000210211 [0,2,0,0,0,0|2,0,0]=4 5488 B9R0.4 CCCCN(C)CC(C)C 269982a_100000207549_100000210624 [0,2,0,0,0,0|2,0,0]=4 5489 B9R0.4 CCCCN(C)CC(C)C 269982a_100000747067_100000210211 [0,2,0,0,0,0|2,0,0]=4 5490 B9R0.4 CCCCN(C)CC(C)C 270004a_100000207549_100000210432 [0,2,0,0,0,0|2,0,0]=4 5491 B9R0.4 CCCCN(C)CC(C)O 2230a_100000207549_100011218427 [0,2,0,0,0,0|2,0,0]=4 5492 B9R0.4 CCCCN(C)CC(C)O 2230a_100000227577_100000210211 [0,2,0,0,0,0|2,0,0]=4 5493 B9R0.4 CCCCN(C)CC(C)O 269982a_100000207549_100011218427 [0,2,0,0,0,0|2,0,0]=4 5494 B9R0.4 CCCCN(C)CC(C)O 269982a_100000227577_100000210211 [0,2,0,0,0,0|2,0,0]=4 5495 B9R0.4 CCCCN(C)CC(F)F 2230a_100000207549_100011934356 [0,2,0,0,0,0|2,0,0]=4 5496 B9R0.4 CCCCN(C)CC(F)F 269982a_100000207549_100011934356 [0,2,0,0,0,0|2,0,0]=4 5497 B9R0.4 CCCCN(C)C[C@@H](C)O 2230a_100000207549_100009817552 [0,2,0,0,0,0|2,0,0]=4 5498 B9R0.4 CCCCN(C)C[C@@H](C)O 269982a_100000207549_100009817552 [0,2,0,0,0,0|2,0,0]=4 5499 B9R0.4 CCCNC(=O)C=C(C)C 11a_100020643023_100000211388 [0,2,0,0,0,0|1,0,1]=4 5500 B9R0.4 CCCNC(=O)C=C(C)C 1626a_100020643023_100000211388 [0,2,0,0,0,0|1,0,1]=4 5501 B9R0.4 CCCNC(=O)C=C(C)C 240690a_100020643023_100000211388 [0,2,0,0,0,0|1,0,1]=4 5502 B9R0.4 CCCNC(=O)C=C(C)Cl 11a_100020643023_200042562850 [0,2,0,0,0,0|1,0,1]=4 5503 B9R0.4 CCCNC(=O)C=C(C)Cl 1626a_100020643023_200042562850 [0,2,0,0,0,0|1,0,1]=4 5504 B9R0.4 CCCNC(=O)C=C(C)Cl 240690a_100020643023_200042562850 [0,2,0,0,0,0|1,0,1]=4 5505 B9R0.4 CCCNC(=O)C=C(C)I 11a_100020643023_100025716642 [0,2,0,0,0,0|1,0,1]=4 5506 B9R0.4 CCCNC(=O)C=C(C)I 1626a_100020643023_100025716642 [0,2,0,0,0,0|1,0,1]=4 5507 B9R0.4 CCCNC(=O)CC(=O)C 1458a_100000070787_100000183358 [0,2,0,0,0,0|1,0,0]=3 5508 B9R0.4 CCCNC(=O)CC(=O)N 240690a_100020643023_100134613110 [0,2,0,0,0,0|1,0,1]=4 5509 B9R0.4 CCCNC(=O)CC(=O)N 527a_100020643023_100134613110 [0,2,0,0,0,0|1,0,1]=4 5510 B9R0.4 CCCNC(=O)CC(C)C 11a_100020643023_100000210554 [0,2,0,0,0,0|1,0,0]=3 5511 B9R0.4 CCCNC(=O)CC(C)C 1626a_100020643023_100000210554 [0,2,0,0,0,0|1,0,0]=3 5512 B9R0.4 CCCNC(=O)CC(C)C 240690a_100020643023_100000210554 [0,2,0,0,0,0|1,0,0]=3 5513 B9R0.4 CCCNC(=O)CC(C)C 527a_100020643023_100000210554 [0,2,0,0,0,0|1,0,0]=3 5514 B9R0.4 CCCNC(=O)CN(C)C 11a_100020643023_100000750896 [0,2,0,0,0,0|1,0,0]=3 5515 B9R0.4 CCCNC(=O)CN(C)C 2230a_100000684209_200000210301 [0,2,0,0,0,0|1,0,0]=3 5516 B9R0.4 CCCNC(=O)CN(C)C 2230a_100102631434_100000183358 [0,2,0,0,0,0|1,0,0]=3 5517 B9R0.4 CCCNC(=O)CN(C)C 240690a_100020643023_100000750896 [0,2,0,0,0,0|1,0,0]=3 5518 B9R0.4 CCCNC(=O)CN(C)C 269982a_100000684209_200000210301 [0,2,0,0,0,0|1,0,0]=3 5519 B9R0.4 CCCNC(=O)CN(C)C 269982a_100102631434_100000183358 [0,2,0,0,0,0|1,0,0]=3 5520 B9R0.4 CCCNC(=O)CN(C)C 527a_100020643023_100000750896 [0,2,0,0,0,0|1,0,0]=3 5521 B9R0.4 CCCNC(=O)CN(C)[13CH3] 2230a_100000684209_200025704644 [0,2,0,0,0,0|1,0,0]=3 5522 B9R0.4 CCCNC(=O)CN(C)[13CH3] 269982a_100000684209_200025704644 [0,2,0,0,0,0|1,0,0]=3 5523 B9R0.4 CCCNC(=O)C[C@@H](C)O 240690a_100020643023_100011933948 [0,2,0,0,0,0|1,0,0]=3 5524 B9R0.4 CCCNC(=O)C[S+](C)C 11a_100020643023_200159257847 [0,2,0,0,0,0|1,0,0]=3 5525 B9R0.4 CCCNC(=O)C[S+](C)C 1626a_100020643023_200159257847 [0,2,0,0,0,0|1,0,0]=3 5526 B9R0.4 CCCNC(=O)C[S+](C)C 240690a_100020643023_200159257847 [0,2,0,0,0,0|1,0,0]=3 5527 B9R0.4 CCCNC(=O)C[S+](C)C 527a_100020643023_200159257847 [0,2,0,0,0,0|1,0,0]=3 5528 B9R0.4 CCCNC(=O)NC(C)C 2708a_100020643023_100138425928 [0,2,0,0,0,0|1,0,0]=3 5529 B9R0.4 CCCNC(=O)NC(C)C 2708a_100138425928_100020643023 [0,2,0,0,0,0|1,0,0]=3 5530 B9R0.4 CCCNC(=O)NC(C)C 273464a_100138425928_100020643023 [0,2,0,0,0,0|1,0,0]=3 5531 B9R0.4 CCCNC(=O)NC(C)C 512a_100020643023_100138425928 [0,2,0,0,0,0|1,0,0]=3 5532 B9R0.4 CCCNC(=O)NC(C)C 512a_100138425928_100020643023 [0,2,0,0,0,0|1,0,0]=3 5533 B9R0.4 CCCOC(=O)CC(=O)C 1458a_100000070787_200011215008 [0,2,0,0,0,0|1,0,0]=3 5534 B9R0.4 CCCOC(=O)CN(C)C 2230a_100102631434_200011215008 [0,2,0,0,0,0|1,0,0]=3 5535 B9R0.4 CCCOC(=O)CN(C)C 269982a_100102631434_200011215008 [0,2,0,0,0,0|1,0,0]=3 5536 B9R0.4 CCNCC(=O)NC(C)C 2230a_100000168517_100000210202 [0,2,0,0,0,0|1,0,0]=3 5537 B9R0.4 CCNCC(=O)NC(C)C 2230a_100015525214_100000183996 [0,2,0,0,0,0|1,0,0]=3 5538 B9R0.4 CCNCC(=O)OC(C)C 2230a_100015525214_100011215430 [0,2,0,0,0,0|1,0,0]=3 5539 B9R0.4 CCNNC(=O)CC(C)C 22a_100000756455_100000210554 [0,2,0,0,0,0|2,0,0]=4 5540 B9R0.4 CCNNC(=O)CN(C)C 22a_100000756455_100000750896 [0,2,0,0,0,0|2,0,0]=4 5541 B9R0.4 CCNNC(=O)C[C@@H](C)O 22a_100000756455_100011933948 [0,2,0,0,0,0|2,0,0]=4 5542 B9R0.4 CCNNC(=O)C[S+](C)C 22a_100000756455_200159257847 [0,2,0,0,0,0|2,0,0]=4 5543 B9R0.4 CCNNC(=O)NC(C)C 273464a_100138425928_100000756455 [0,2,0,0,0,0|2,0,0]=4 5544 B9R0.4 CCNNC(=O)NC(C)C 512a_100000756455_100138425928 [0,2,0,0,0,0|2,0,0]=4 5545 B9R0.4 CCNNC(=O)NC(C)C 512a_100138425928_100000756455 [0,2,0,0,0,0|2,0,0]=4 5546 B9R0.4 CCOCC(=O)CC(=O)N 1458a_100000211967_100000187820 [0,2,0,0,0,0|1,0,1]=4 5547 B9R0.4 CCOCC(=O)CC(=O)[O-] 1458a_100000211967_100020667443 [0,2,0,0,0,0|1,0,1]=4 5548 B9R0.4 CCOCC(=O)CC(C)C 1458a_100000211967_100000210624 [0,2,0,0,0,0|1,0,0]=3 5549 B9R0.4 CCOCC(=O)CC(C)O 1458a_100000211967_100011218427 [0,2,0,0,0,0|1,0,0]=3 5550 B9R0.4 CCOCC(=O)CC(F)F 1458a_100000211967_100011934356 [0,2,0,0,0,0|1,0,0]=3 5551 B9R0.4 CCOCC(=O)C[N+](=O)[O-] 1458a_100000211967_100000761209 [0,2,0,0,0,0|2,0,0]=4 5552 B9R0.4 CCOCC(=O)NC(C)C 11a_100138425928_100000211967 [0,2,0,0,0,0|1,0,0]=3 5553 B9R0.4 CCOCC(=O)NC(C)C 1626a_100138425928_100000211967 [0,2,0,0,0,0|1,0,0]=3 5554 B9R0.4 CCOCC(=O)NC(C)C 240690a_100138425928_100000211967 [0,2,0,0,0,0|1,0,0]=3 5555 B9R0.4 CCOCC(=O)NC(C)C 34a_100121572206_100000183996 [0,2,0,0,0,0|1,0,0]=3 5556 B9R0.4 CCOCC(=O)NC(C)C 527a_100138425928_100000211967 [0,2,0,0,0,0|1,0,0]=3 5557 B9R0.4 CCOCC(=O)OC(C)C 34a_100121572206_100011215430 [0,2,0,0,0,0|1,0,0]=3 5558 B9R0.4 CCSCC(=O)CC(=O)N 1458a_100000230394_100000187820 [0,2,0,0,0,0|1,0,1]=4 5559 B9R0.4 CCSCC(=O)CC(=O)[O-] 1458a_100000230394_100020667443 [0,2,0,0,0,0|1,0,1]=4 5560 B9R0.4 CCSCC(=O)CC(C)C 1458a_100000230394_100000210624 [0,2,0,0,0,0|1,0,0]=3 5561 B9R0.4 CCSCC(=O)CC(C)O 1458a_100000230394_100011218427 [0,2,0,0,0,0|1,0,0]=3 5562 B9R0.4 CCSCC(=O)CC(F)F 1458a_100000230394_100011934356 [0,2,0,0,0,0|1,0,0]=3 5563 B9R0.4 CCSCC(=O)C[N+](=O)[O-] 1458a_100000230394_100000761209 [0,2,0,0,0,0|2,0,0]=4 5564 B9R0.4 CCSCC(=O)NC(=O)C 62a_100000210202_100000183797 [0,2,0,0,0,0|1,0,1]=4 5565 B9R0.4 CCSCC(=O)NC(C)C 11a_100138425928_100000230394 [0,2,0,0,0,0|1,0,0]=3 5566 B9R0.4 CCSCC(=O)NC(C)C 1626a_100138425928_100000230394 [0,2,0,0,0,0|1,0,0]=3 5567 B9R0.4 CCSCC(=O)NC(C)C 240690a_100138425928_100000230394 [0,2,0,0,0,0|1,0,0]=3 5568 B9R0.4 CCSCC(=O)NC(C)C 527a_100138425928_100000230394 [0,2,0,0,0,0|1,0,0]=3 5569 B9R0.4 CCSCC(=O)NC(C)C 62a_100000183996_100000210202 [0,2,0,0,0,0|1,0,0]=3 5570 B9R0.4 CCSCC(=O)NC(C)C 62a_100000210202_100000183996 [0,2,0,0,0,0|1,0,0]=3 5571 B9R0.4 CCSCC(=O)OC(C)C 62a_100000210202_100011215430 [0,2,0,0,0,0|1,0,0]=3 5572 B9R0.4 CCSCC(=O)OC(C)C 62a_100011215430_100000210202 [0,2,0,0,0,0|1,0,0]=3 5573 B9R0.4 CN(C)CC(=O)CCC#N 1458a_100000750896_100011215226 [0,2,0,0,0,0|1,0,1]=4 5574 B9R0.4 CN(C)CC(=O)CCCF 1458a_100000750896_100011934791 [0,2,0,0,0,0|1,0,0]=3 5575 B9R0.4 CN(C)CC(=O)CCCO 1458a_100000750896_100011215043 [0,2,0,0,0,0|1,0,0]=3 5576 B9R0.4 CN(C)CC(=O)NCCF 11a_100000724931_100000750896 [0,2,0,0,0,0|2,0,0]=4 5577 B9R0.4 CN(C)CC(=O)NCCF 240690a_100000724931_100000750896 [0,2,0,0,0,0|2,0,0]=4 5578 B9R0.4 CN(C)CC(=O)NCCF 527a_100000724931_100000750896 [0,2,0,0,0,0|2,0,0]=4 5579 B9R0.4 CN(C)CC(=O)NCCO 240690a_100000210304_100000750896 [0,2,0,0,0,0|2,0,0]=4 5580 B9R0.4 CN(C)CC(=O)NCCO 527a_100000210304_100000750896 [0,2,0,0,0,0|2,0,0]=4 5581 B9R0.4 CNCCC(=O)NC(C)C 2230a_106832991635_100000737564 [0,2,0,0,0,0|1,0,0]=3 5582 B9R0.4 CNCCC(=O)NC(C)C 7a_106832991635_100000737564 [0,2,0,0,0,0|1,0,0]=3 5583 B9R0.4 CNCCC(=O)OC(C)C 2230a_106832991635_100000760027 [0,2,0,0,0,0|1,0,0]=3 5584 B9R0.4 CNCCC(=O)OC(C)C 7a_106832991635_100000760027 [0,2,0,0,0,0|1,0,0]=3 5585 B9R0.4 COCCC(=O)C=C(C)C 1458a_100000211388_100000233755 [0,2,0,0,0,0|1,0,1]=4 5586 B9R0.4 COCCC(=O)C=C(C)Cl 1458a_200042562850_100000233755 [0,2,0,0,0,0|1,0,1]=4 5587 B9R0.4 COCCC(=O)C=C(C)I 1458a_100025716642_100000233755 [0,2,0,0,0,0|1,0,1]=4 5588 B9R0.4 COCCC(=O)CC(=O)N 1458a_100000749529_100000187820 [0,2,0,0,0,0|1,0,1]=4 5589 B9R0.4 COCCC(=O)CC(=O)N 1458a_100134613110_100000233755 [0,2,0,0,0,0|1,0,1]=4 5590 B9R0.4 COCCC(=O)CC(=O)[O-] 1458a_100000749529_100020667443 [0,2,0,0,0,0|1,0,1]=4 5591 B9R0.4 COCCC(=O)CC(C)C 1458a_100000210554_100000233755 [0,2,0,0,0,0|1,0,0]=3 5592 B9R0.4 COCCC(=O)CC(C)C 1458a_100000749529_100000210624 [0,2,0,0,0,0|1,0,0]=3 5593 B9R0.4 COCCC(=O)CC(C)O 1458a_100000749529_100011218427 [0,2,0,0,0,0|1,0,0]=3 5594 B9R0.4 COCCC(=O)CC(F)F 1458a_100000749529_100011934356 [0,2,0,0,0,0|1,0,0]=3 5595 B9R0.4 COCCC(=O)CN(C)C 1458a_100000750896_100000233755 [0,2,0,0,0,0|1,0,0]=3 5596 B9R0.4 COCCC(=O)C[C@@H](C)O 1458a_100011933948_100000233755 [0,2,0,0,0,0|1,0,0]=3 5597 B9R0.4 COCCC(=O)C[N+](=O)[O-] 1458a_100000749529_100000761209 [0,2,0,0,0,0|2,0,0]=4 5598 B9R0.4 COCCC(=O)C[S+](C)C 1458a_200159257847_100000233755 [0,2,0,0,0,0|1,0,0]=3 5599 B9R0.4 COCCC(=O)NC(C)C 11a_100138425928_100000749529 [0,2,0,0,0,0|1,0,0]=3 5600 B9R0.4 COCCC(=O)NC(C)C 1626a_100138425928_100000749529 [0,2,0,0,0,0|1,0,0]=3 5601 B9R0.4 COCCC(=O)NC(C)C 240690a_100138425928_100000749529 [0,2,0,0,0,0|1,0,0]=3 5602 B9R0.4 COCCC(=O)NC(C)C 527a_100138425928_100000749529 [0,2,0,0,0,0|1,0,0]=3 5603 B9R0.4 CSCCC(=O)C=C(C)C 1458a_100000211388_100000751147 [0,2,0,0,0,0|1,0,1]=4 5604 B9R0.4 CSCCC(=O)C=C(C)Cl 1458a_200042562850_100000751147 [0,2,0,0,0,0|1,0,1]=4 5605 B9R0.4 CSCCC(=O)C=C(C)I 1458a_100025716642_100000751147 [0,2,0,0,0,0|1,0,1]=4 5606 B9R0.4 CSCCC(=O)CC(=O)N 1458a_100000174002_100000187820 [0,2,0,0,0,0|1,0,1]=4 5607 B9R0.4 CSCCC(=O)CC(=O)N 1458a_100134613110_100000751147 [0,2,0,0,0,0|1,0,1]=4 5608 B9R0.4 CSCCC(=O)CC(=O)[O-] 1458a_100000174002_100020667443 [0,2,0,0,0,0|1,0,1]=4 5609 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000174002_100000210624 [0,2,0,0,0,0|1,0,0]=3 5610 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000210554_100000751147 [0,2,0,0,0,0|1,0,0]=3 5611 B9R0.4 CSCCC(=O)CC(C)O 1458a_100000174002_100011218427 [0,2,0,0,0,0|1,0,0]=3 5612 B9R0.4 CSCCC(=O)CC(F)F 1458a_100000174002_100011934356 [0,2,0,0,0,0|1,0,0]=3 5613 B9R0.4 CSCCC(=O)CN(C)C 1458a_100000750896_100000751147 [0,2,0,0,0,0|1,0,0]=3 5614 B9R0.4 CSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000751147 [0,2,0,0,0,0|1,0,0]=3 5615 B9R0.4 CSCCC(=O)C[N+](=O)[O-] 1458a_100000174002_100000761209 [0,2,0,0,0,0|2,0,0]=4 5616 B9R0.4 CSCCC(=O)C[S+](C)C 1458a_200159257847_100000751147 [0,2,0,0,0,0|1,0,0]=3 5617 B9R0.4 CSCCC(=O)NC(C)C 11a_100138425928_100000174002 [0,2,0,0,0,0|1,0,0]=3 5618 B9R0.4 CSCCC(=O)NC(C)C 1626a_100138425928_100000174002 [0,2,0,0,0,0|1,0,0]=3 5619 B9R0.4 CSCCC(=O)NC(C)C 240690a_100138425928_100000174002 [0,2,0,0,0,0|1,0,0]=3 5620 B9R0.4 CSCCC(=O)NC(C)C 527a_100138425928_100000174002 [0,2,0,0,0,0|1,0,0]=3 5621 B9R0.4 CSCCC(=O)NC(C)C 62a_100000737564_200000210301 [0,2,0,0,0,0|1,0,0]=3 5622 B9R0.4 CSCCC(=O)NC(C)C 62a_200000210301_100000737564 [0,2,0,0,0,0|1,0,0]=3 5623 B9R0.4 CSCCC(=O)OC(C)C 62a_100000760027_200000210301 [0,2,0,0,0,0|1,0,0]=3 5624 B9R0.4 CSCCC(=O)OC(C)C 62a_200000210301_100000760027 [0,2,0,0,0,0|1,0,0]=3 5625 B9R0.4 CSCOC(=O)OC(C)C 62a_100000003507_200000210301 [0,2,0,0,0,0|2,0,0]=4 5626 B9R0.4 CSCOC(=O)OC(C)C 62a_200000210301_100000003507 [0,2,0,0,0,0|2,0,0]=4 5627 B9R0.4 C[C@@H](O)CC(=O)CCC#N 1458a_100011933948_100011215226 [0,2,0,0,0,0|1,0,1]=4 5628 B9R0.4 C[C@@H](O)CC(=O)CCCF 1458a_100011933948_100011934791 [0,2,0,0,0,0|1,0,0]=3 5629 B9R0.4 C[C@@H](O)CC(=O)CCCO 1458a_100011933948_100011215043 [0,2,0,0,0,0|1,0,0]=3 5630 B9R0.4 C[C@@H](O)CC(=O)NCCF 240690a_100000724931_100011933948 [0,2,0,0,0,0|2,0,0]=4 5631 B9R0.4 C[C@@H](O)CC(=O)NCCO 240690a_100000210304_100011933948 [0,2,0,0,0,0|2,0,0]=4 5632 B9R0.4 C[S+](C)CC(=O)CCC#N 1458a_200159257847_100011215226 [0,2,0,0,0,0|1,0,1]=4 5633 B9R0.4 C[S+](C)CC(=O)CCCF 1458a_200159257847_100011934791 [0,2,0,0,0,0|1,0,0]=3 5634 B9R0.4 C[S+](C)CC(=O)CCCO 1458a_200159257847_100011215043 [0,2,0,0,0,0|1,0,0]=3 5635 B9R0.4 C[S+](C)CC(=O)NCCF 11a_100000724931_200159257847 [0,2,0,0,0,0|2,0,0]=4 5636 B9R0.4 C[S+](C)CC(=O)NCCF 1626a_100000724931_200159257847 [0,2,0,0,0,0|2,0,0]=4 5637 B9R0.4 C[S+](C)CC(=O)NCCF 240690a_100000724931_200159257847 [0,2,0,0,0,0|2,0,0]=4 5638 B9R0.4 C[S+](C)CC(=O)NCCF 527a_100000724931_200159257847 [0,2,0,0,0,0|2,0,0]=4 5639 B9R0.4 C[S+](C)CC(=O)NCCO 240690a_100000210304_200159257847 [0,2,0,0,0,0|2,0,0]=4 5640 B9R0.4 C[S+](C)CC(=O)NCCO 527a_100000210304_200159257847 [0,2,0,0,0,0|2,0,0]=4 5641 B9R0.4 N#CCCC(=O)CC(F)F 1458a_100011934036_100011934356 [0,2,0,0,0,0|1,0,1]=4 5642 B9R0.4 NC(=O)CC(=O)CCCF 1458a_100134613110_100011934791 [0,2,0,0,0,0|1,0,1]=4 5643 B9R0.4 NC(=O)CC(=O)CCCO 1458a_100134613110_100011215043 [0,2,0,0,0,0|1,0,1]=4 5644 B9R0.5 C#CCC(=O)C#CCCC 1458a_200011218047_100000184674 [0,2,0,0,0,0|0,0,2]=4 5645 B9R0.5 C#CCC(=O)C/C=C/CC 1458a_100016274230_100000184674 [0,2,0,0,0,0|0,0,2]=4 5646 B9R0.5 C#CCC(=O)C/C=C\CC 1458a_100011220946_100103147603 [0,2,0,0,0,0|0,0,2]=4 5647 B9R0.5 C#CCC(=O)C=CCCC 1458a_100000212230_100000184674 [0,2,0,0,0,0|0,0,2]=4 5648 B9R0.5 C#CCC(=O)CC#CCC 1458a_100011220946_100009813939 [0,2,0,0,0,0|0,0,2]=4 5649 B9R0.5 C#CCC(=O)CCCC#N 1458a_100000075515_100000184674 [0,2,0,0,0,0|0,0,2]=4 5650 B9R0.5 C#CCC(=O)CCCC#N 1458a_100011220946_100000211468 [0,2,0,0,0,0|0,0,2]=4 5651 B9R0.5 C#CCC(=O)CCCC=C 1458a_100000766728_100000184674 [0,2,0,0,0,0|0,0,2]=4 5652 B9R0.5 C#CCC(=O)CCCC=C 1458a_100011220946_100000757094 [0,2,0,0,0,0|0,0,2]=4 5653 B9R0.5 C#CCC(=O)CCCCC 1458a_100000212188_100000184674 [0,2,0,0,0,0|0,0,1]=3 5654 B9R0.5 C#CCC(=O)CCCCC 1458a_100011220946_100000210326 [0,2,0,0,0,0|0,0,1]=3 5655 B9R0.5 C#CCC(=O)CCCCF 1458a_100011220946_100000729493 [0,2,0,0,0,0|0,0,1]=3 5656 B9R0.5 C#CCC(=O)CCCCO 1458a_100000695505_100000184674 [0,2,0,0,0,0|0,0,1]=3 5657 B9R0.5 C#CCC(=O)CCCCO 1458a_100011220946_100000210776 [0,2,0,0,0,0|0,0,1]=3 5658 B9R0.5 C#CCC(=O)CCCOC 1458a_100000741012_100000184674 [0,2,0,0,0,0|0,0,1]=3 5659 B9R0.5 C#CCC(=O)CCCOC 1458a_100011220946_100000740836 [0,2,0,0,0,0|0,0,1]=3 5660 B9R0.5 C#CCC(=O)CCCSC 1458a_100000173376_100000184674 [0,2,0,0,0,0|0,0,1]=3 5661 B9R0.5 C#CCC(=O)CCOCC 1458a_100000749530_100000184674 [0,2,0,0,0,0|0,0,1]=3 5662 B9R0.5 C#CCC(=O)CCOCC 1458a_100011220946_100011215890 [0,2,0,0,0,0|0,0,1]=3 5663 B9R0.5 C#CCC(=O)CCSCC 1458a_100000230768_100000184674 [0,2,0,0,0,0|0,0,1]=3 5664 B9R0.5 C#CCC(=O)CCSCC 1458a_100011220946_100000757381 [0,2,0,0,0,0|0,0,1]=3 5665 B9R0.5 C#CCC(=O)COCCC 1458a_100000745993_100000184674 [0,2,0,0,0,0|0,0,1]=3 5666 B9R0.5 C#CCC(=O)COCCO 1458a_100000708028_100000184674 [0,2,0,0,0,0|1,0,1]=4 5667 B9R0.5 C#CCC(=O)CSCCC 1458a_100000217233_100000184674 [0,2,0,0,0,0|0,0,1]=3 5668 B9R0.5 C#CCC(=O)NCCCC 1626a_100000102301_100011220946 [0,2,0,0,0,0|0,0,1]=3 5669 B9R0.5 C#CCC(=O)NCCCC 527a_100000102301_100011220946 [0,2,0,0,0,0|0,0,1]=3 5670 B9R0.5 C#CCC(=O)NCCCF 1626a_100015189416_100011220946 [0,2,0,0,0,0|1,0,1]=4 5671 B9R0.5 C#CCC(=O)NCCCF 527a_100015189416_100011220946 [0,2,0,0,0,0|1,0,1]=4 5672 B9R0.5 C#CCC(=O)NCCCO 527a_100000182051_100011220946 [0,2,0,0,0,0|1,0,1]=4 5673 B9R0.5 C#CCC(=O)NCCOC 1626a_100000209980_100011220946 [0,2,0,0,0,0|1,0,1]=4 5674 B9R0.5 C#CCC(=O)NCCOC 527a_100000209980_100011220946 [0,2,0,0,0,0|1,0,1]=4 5675 B9R0.5 C#CCC(=O)NCCSC 1626a_100020590264_100011220946 [0,2,0,0,0,0|1,0,1]=4 5676 B9R0.5 C#CCC(=O)NCCSC 527a_100020590264_100011220946 [0,2,0,0,0,0|1,0,1]=4 5677 B9R0.5 C#CCCCC(=O)C#CC 1458a_100000763181_100000731252 [0,2,0,0,0,0|0,0,2]=4 5678 B9R0.5 C#CCCCC(=O)C=CC 1458a_100000210699_100000731252 [0,2,0,0,0,0|0,0,2]=4 5679 B9R0.5 C#CCCCC(=O)CC#C 1458a_100000690238_100000184674 [0,2,0,0,0,0|0,0,2]=4 5680 B9R0.5 C#CCCCC(=O)CC#C 1458a_100011220946_100000731252 [0,2,0,0,0,0|0,0,2]=4 5681 B9R0.5 C#CCCCC(=O)CC#N 1458a_100000690238_100011214920 [0,2,0,0,0,0|0,0,2]=4 5682 B9R0.5 C#CCCCC(=O)CC#N 1458a_100051588842_100000731252 [0,2,0,0,0,0|0,0,2]=4 5683 B9R0.5 C#CCCCC(=O)CC=C 1458a_100000210193_100000731252 [0,2,0,0,0,0|0,0,2]=4 5684 B9R0.5 C#CCCCC(=O)CC=C 1458a_100000690238_100000210623 [0,2,0,0,0,0|0,0,2]=4 5685 B9R0.5 C#CCCCC(=O)CCC 1458a_100000211992_100000731252 [0,2,0,0,0,0|0,0,1]=3 5686 B9R0.5 C#CCCCC(=O)CCC 1458a_100000690238_100000210303 [0,2,0,0,0,0|0,0,1]=3 5687 B9R0.5 C#CCCCC(=O)CCF 1458a_100000690238_100011217306 [0,2,0,0,0,0|0,0,1]=3 5688 B9R0.5 C#CCCCC(=O)CCO 1458a_100000690238_100000211926 [0,2,0,0,0,0|0,0,1]=3 5689 B9R0.5 C#CCCCC(=O)CCO 1458a_100011216618_100000731252 [0,2,0,0,0,0|0,0,1]=3 5690 B9R0.5 C#CCCCC(=O)COC 1458a_100000210968_100000731252 [0,2,0,0,0,0|0,0,1]=3 5691 B9R0.5 C#CCCCC(=O)CSC 1458a_100000184570_100000731252 [0,2,0,0,0,0|0,0,1]=3 5692 B9R0.5 C#CCCCC(=O)NCC 11a_100015525214_100000690238 [0,2,0,0,0,0|0,0,1]=3 5693 B9R0.5 C#CCCCC(=O)NCC 240690a_100015525214_100000690238 [0,2,0,0,0,0|0,0,1]=3 5694 B9R0.5 C#CCCCC(=O)NCC 527a_100015525214_100000690238 [0,2,0,0,0,0|0,0,1]=3 5695 B9R0.5 C#CCCCC(=O)NNC 22a_100016993582_100000690238 [0,2,0,0,0,0|1,0,1]=4 5696 B9R0.5 C#CCCNC(=O)CCC 11a_100000755551_100000211992 [0,2,0,0,0,0|0,0,2]=4 5697 B9R0.5 C#CCCNC(=O)CCC 1626a_100000755551_100000211992 [0,2,0,0,0,0|0,0,2]=4 5698 B9R0.5 C#CCCNC(=O)CCC 240690a_100000755551_100000211992 [0,2,0,0,0,0|0,0,2]=4 5699 B9R0.5 C#CCCNC(=O)CCC 527a_100000755551_100000211992 [0,2,0,0,0,0|0,0,2]=4 5700 B9R0.5 C#CCCNC(=O)CCO 240690a_100000755551_100011216618 [0,2,0,0,0,0|0,0,2]=4 5701 B9R0.5 C#CCCNC(=O)COC 11a_100000755551_100000210968 [0,2,0,0,0,0|0,0,2]=4 5702 B9R0.5 C#CCCNC(=O)COC 1626a_100000755551_100000210968 [0,2,0,0,0,0|0,0,2]=4 5703 B9R0.5 C#CCCNC(=O)COC 240690a_100000755551_100000210968 [0,2,0,0,0,0|0,0,2]=4 5704 B9R0.5 C#CCCNC(=O)COC 527a_100000755551_100000210968 [0,2,0,0,0,0|0,0,2]=4 5705 B9R0.5 C#CCCNC(=O)CSC 11a_100000755551_100000184570 [0,2,0,0,0,0|0,0,2]=4 5706 B9R0.5 C#CCCNC(=O)CSC 1626a_100000755551_100000184570 [0,2,0,0,0,0|0,0,2]=4 5707 B9R0.5 C#CCCNC(=O)CSC 240690a_100000755551_100000184570 [0,2,0,0,0,0|0,0,2]=4 5708 B9R0.5 C#CCCNC(=O)CSC 527a_100000755551_100000184570 [0,2,0,0,0,0|0,0,2]=4 5709 B9R0.5 C#CCCNC(=O)NCC 2708a_100000755551_100015525214 [0,2,0,0,0,0|0,0,2]=4 5710 B9R0.5 C#CCCNC(=O)NCC 2708a_100015525214_100000755551 [0,2,0,0,0,0|0,0,2]=4 5711 B9R0.5 C#CCCNC(=O)NCC 273464a_100000755551_100015525214 [0,2,0,0,0,0|0,0,2]=4 5712 B9R0.5 C#CCCNC(=O)NCC 273464a_100015525214_100000755551 [0,2,0,0,0,0|0,0,2]=4 5713 B9R0.5 C#CCCNC(=O)NCC 512a_100000755551_100015525214 [0,2,0,0,0,0|0,0,2]=4 5714 B9R0.5 C#CCCNC(=O)NCC 512a_100015525214_100000755551 [0,2,0,0,0,0|0,0,2]=4 5715 B9R0.5 C#CCNCC(=O)NCC 2230a_100016988866_100000038162 [0,2,0,0,0,0|0,0,2]=4 5716 B9R0.5 C#CCNCC(=O)NCC 34a_100000212058_100000183381 [0,2,0,0,0,0|0,0,2]=4 5717 B9R0.5 C#CCNCC(=O)OCC 34a_100000212058_100000188475 [0,2,0,0,0,0|0,0,2]=4 5718 B9R0.5 C#CCOCC(=O)CCC 1458a_100011251226_100000210303 [0,2,0,0,0,0|0,0,2]=4 5719 B9R0.5 C#CCOCC(=O)CCF 1458a_100011251226_100011217306 [0,2,0,0,0,0|0,0,2]=4 5720 B9R0.5 C#CCOCC(=O)CCO 1458a_100011251226_100000211926 [0,2,0,0,0,0|0,0,2]=4 5721 B9R0.5 C#CCOCC(=O)NCC 11a_100015525214_100011251226 [0,2,0,0,0,0|0,0,2]=4 5722 B9R0.5 C#CCOCC(=O)NCC 34a_100000210247_100000183381 [0,2,0,0,0,0|0,0,2]=4 5723 B9R0.5 C#CCOCC(=O)NCC 527a_100015525214_100011251226 [0,2,0,0,0,0|0,0,2]=4 5724 B9R0.5 C#CCOCC(=O)OCC 34a_100000210247_100000188475 [0,2,0,0,0,0|0,0,2]=4 5725 B9R0.5 C#CCSCC(=O)CCC 62a_100000038162_100000747444 [0,2,0,0,0,0|0,0,2]=4 5726 B9R0.5 C#CCSCC(=O)NCC 62a_100000038162_100000183381 [0,2,0,0,0,0|0,0,2]=4 5727 B9R0.5 C#CCSCC(=O)OCC 62a_100000038162_100000188475 [0,2,0,0,0,0|0,0,2]=4 5728 B9R0.5 C=CCC(=O)C#CCCC 1458a_200011218047_100000210623 [0,2,0,0,0,0|0,0,2]=4 5729 B9R0.5 C=CCC(=O)C/C=C/CC 1458a_100016274230_100000210623 [0,2,0,0,0,0|0,0,2]=4 5730 B9R0.5 C=CCC(=O)C/C=C\CC 1458a_100000210193_100103147603 [0,2,0,0,0,0|0,0,2]=4 5731 B9R0.5 C=CCC(=O)C=CCCC 1458a_100000212230_100000210623 [0,2,0,0,0,0|0,0,2]=4 5732 B9R0.5 C=CCC(=O)CC#CCC 1458a_100000210193_100009813939 [0,2,0,0,0,0|0,0,2]=4 5733 B9R0.5 C=CCC(=O)CCCC#N 1458a_100000075515_100000210623 [0,2,0,0,0,0|0,0,2]=4 5734 B9R0.5 C=CCC(=O)CCCC#N 1458a_100000210193_100000211468 [0,2,0,0,0,0|0,0,2]=4 5735 B9R0.5 C=CCC(=O)CCCCC 1458a_100000210193_100000210326 [0,2,0,0,0,0|0,0,1]=3 5736 B9R0.5 C=CCC(=O)CCCCC 1458a_100000212188_100000210623 [0,2,0,0,0,0|0,0,1]=3 5737 B9R0.5 C=CCC(=O)CCCCF 1458a_100000210193_100000729493 [0,2,0,0,0,0|0,0,1]=3 5738 B9R0.5 C=CCC(=O)CCCCO 1458a_100000210193_100000210776 [0,2,0,0,0,0|0,0,1]=3 5739 B9R0.5 C=CCC(=O)CCCCO 1458a_100000695505_100000210623 [0,2,0,0,0,0|0,0,1]=3 5740 B9R0.5 C=CCC(=O)CCCOC 1458a_100000210193_100000740836 [0,2,0,0,0,0|0,0,1]=3 5741 B9R0.5 C=CCC(=O)CCCOC 1458a_100000741012_100000210623 [0,2,0,0,0,0|0,0,1]=3 5742 B9R0.5 C=CCC(=O)CCCSC 1458a_100000173376_100000210623 [0,2,0,0,0,0|0,0,1]=3 5743 B9R0.5 C=CCC(=O)CCOCC 1458a_100000210193_100011215890 [0,2,0,0,0,0|0,0,1]=3 5744 B9R0.5 C=CCC(=O)CCOCC 1458a_100000749530_100000210623 [0,2,0,0,0,0|0,0,1]=3 5745 B9R0.5 C=CCC(=O)CCSCC 1458a_100000210193_100000757381 [0,2,0,0,0,0|0,0,1]=3 5746 B9R0.5 C=CCC(=O)CCSCC 1458a_100000230768_100000210623 [0,2,0,0,0,0|0,0,1]=3 5747 B9R0.5 C=CCC(=O)COCCC 1458a_100000745993_100000210623 [0,2,0,0,0,0|0,0,1]=3 5748 B9R0.5 C=CCC(=O)COCCO 1458a_100000708028_100000210623 [0,2,0,0,0,0|1,0,1]=4 5749 B9R0.5 C=CCC(=O)CSCCC 1458a_100000217233_100000210623 [0,2,0,0,0,0|0,0,1]=3 5750 B9R0.5 C=CCC(=O)NCCCC 11a_100000102301_100000210193 [0,2,0,0,0,0|0,0,1]=3 5751 B9R0.5 C=CCC(=O)NCCCC 1626a_100000102301_100000210193 [0,2,0,0,0,0|0,0,1]=3 5752 B9R0.5 C=CCC(=O)NCCCC 240690a_100000102301_100000210193 [0,2,0,0,0,0|0,0,1]=3 5753 B9R0.5 C=CCC(=O)NCCCC 527a_100000102301_100000210193 [0,2,0,0,0,0|0,0,1]=3 5754 B9R0.5 C=CCC(=O)NCCCF 11a_100015189416_100000210193 [0,2,0,0,0,0|1,0,1]=4 5755 B9R0.5 C=CCC(=O)NCCCF 1626a_100015189416_100000210193 [0,2,0,0,0,0|1,0,1]=4 5756 B9R0.5 C=CCC(=O)NCCCF 240690a_100015189416_100000210193 [0,2,0,0,0,0|1,0,1]=4 5757 B9R0.5 C=CCC(=O)NCCCF 527a_100015189416_100000210193 [0,2,0,0,0,0|1,0,1]=4 5758 B9R0.5 C=CCC(=O)NCCCO 240690a_100000182051_100000210193 [0,2,0,0,0,0|1,0,1]=4 5759 B9R0.5 C=CCC(=O)NCCCO 527a_100000182051_100000210193 [0,2,0,0,0,0|1,0,1]=4 5760 B9R0.5 C=CCC(=O)NCCOC 1626a_100000209980_100000210193 [0,2,0,0,0,0|1,0,1]=4 5761 B9R0.5 C=CCC(=O)NCCOC 240690a_100000209980_100000210193 [0,2,0,0,0,0|1,0,1]=4 5762 B9R0.5 C=CCC(=O)NCCOC 527a_100000209980_100000210193 [0,2,0,0,0,0|1,0,1]=4 5763 B9R0.5 C=CCC(=O)NCCSC 11a_100020590264_100000210193 [0,2,0,0,0,0|1,0,1]=4 5764 B9R0.5 C=CCC(=O)NCCSC 1626a_100020590264_100000210193 [0,2,0,0,0,0|1,0,1]=4 5765 B9R0.5 C=CCC(=O)NCCSC 240690a_100020590264_100000210193 [0,2,0,0,0,0|1,0,1]=4 5766 B9R0.5 C=CCC(=O)NCCSC 527a_100020590264_100000210193 [0,2,0,0,0,0|1,0,1]=4 5767 B9R0.5 C=CCC(=O)NNCCC 22a_100000740057_100000210193 [0,2,0,0,0,0|1,0,1]=4 5768 B9R0.5 C=CCCCC(=O)C#CC 1458a_100000763181_100000757094 [0,2,0,0,0,0|0,0,2]=4 5769 B9R0.5 C=CCCCC(=O)C=CC 1458a_100000210699_100000757094 [0,2,0,0,0,0|0,0,2]=4 5770 B9R0.5 C=CCCCC(=O)CC#N 1458a_100000766728_100011214920 [0,2,0,0,0,0|0,0,2]=4 5771 B9R0.5 C=CCCCC(=O)CC#N 1458a_100051588842_100000757094 [0,2,0,0,0,0|0,0,2]=4 5772 B9R0.5 C=CCCCC(=O)CC=C 1458a_100000210193_100000757094 [0,2,0,0,0,0|0,0,2]=4 5773 B9R0.5 C=CCCCC(=O)CC=C 1458a_100000766728_100000210623 [0,2,0,0,0,0|0,0,2]=4 5774 B9R0.5 C=CCCCC(=O)CCC 1458a_100000211992_100000757094 [0,2,0,0,0,0|0,0,1]=3 5775 B9R0.5 C=CCCCC(=O)CCC 1458a_100000766728_100000210303 [0,2,0,0,0,0|0,0,1]=3 5776 B9R0.5 C=CCCCC(=O)CCF 1458a_100000766728_100011217306 [0,2,0,0,0,0|0,0,1]=3 5777 B9R0.5 C=CCCCC(=O)CCO 1458a_100000766728_100000211926 [0,2,0,0,0,0|0,0,1]=3 5778 B9R0.5 C=CCCCC(=O)CCO 1458a_100011216618_100000757094 [0,2,0,0,0,0|0,0,1]=3 5779 B9R0.5 C=CCCCC(=O)COC 1458a_100000210968_100000757094 [0,2,0,0,0,0|0,0,1]=3 5780 B9R0.5 C=CCCCC(=O)CSC 1458a_100000184570_100000757094 [0,2,0,0,0,0|0,0,1]=3 5781 B9R0.5 C=CCCCC(=O)NCC 11a_100015525214_100000766728 [0,2,0,0,0,0|0,0,1]=3 5782 B9R0.5 C=CCCCC(=O)NCC 240690a_100015525214_100000766728 [0,2,0,0,0,0|0,0,1]=3 5783 B9R0.5 C=CCCCC(=O)NCC 527a_100015525214_100000766728 [0,2,0,0,0,0|0,0,1]=3 5784 B9R0.5 C=CCCCC(=O)NNC 22a_100016993582_100000766728 [0,2,0,0,0,0|1,0,1]=4 5785 B9R0.5 C=CCCNC(=O)CCC 11a_100015191253_100000211992 [0,2,0,0,0,0|0,0,2]=4 5786 B9R0.5 C=CCCNC(=O)CCC 1626a_100015191253_100000211992 [0,2,0,0,0,0|0,0,2]=4 5787 B9R0.5 C=CCCNC(=O)CCC 240690a_100015191253_100000211992 [0,2,0,0,0,0|0,0,2]=4 5788 B9R0.5 C=CCCNC(=O)CCC 527a_100015191253_100000211992 [0,2,0,0,0,0|0,0,2]=4 5789 B9R0.5 C=CCCNC(=O)CCO 240690a_100015191253_100011216618 [0,2,0,0,0,0|0,0,2]=4 5790 B9R0.5 C=CCCNC(=O)COC 11a_100015191253_100000210968 [0,2,0,0,0,0|0,0,2]=4 5791 B9R0.5 C=CCCNC(=O)COC 1626a_100015191253_100000210968 [0,2,0,0,0,0|0,0,2]=4 5792 B9R0.5 C=CCCNC(=O)COC 240690a_100015191253_100000210968 [0,2,0,0,0,0|0,0,2]=4 5793 B9R0.5 C=CCCNC(=O)COC 527a_100015191253_100000210968 [0,2,0,0,0,0|0,0,2]=4 5794 B9R0.5 C=CCCNC(=O)CSC 11a_100015191253_100000184570 [0,2,0,0,0,0|0,0,2]=4 5795 B9R0.5 C=CCCNC(=O)CSC 1626a_100015191253_100000184570 [0,2,0,0,0,0|0,0,2]=4 5796 B9R0.5 C=CCCNC(=O)CSC 240690a_100015191253_100000184570 [0,2,0,0,0,0|0,0,2]=4 5797 B9R0.5 C=CCCNC(=O)CSC 527a_100015191253_100000184570 [0,2,0,0,0,0|0,0,2]=4 5798 B9R0.5 C=CCCNC(=O)NCC 2708a_100015191253_100015525214 [0,2,0,0,0,0|0,0,2]=4 5799 B9R0.5 C=CCCNC(=O)NCC 2708a_100015525214_100015191253 [0,2,0,0,0,0|0,0,2]=4 5800 B9R0.5 C=CCCNC(=O)NCC 273464a_100015191253_100015525214 [0,2,0,0,0,0|0,0,2]=4 5801 B9R0.5 C=CCCNC(=O)NCC 273464a_100015525214_100015191253 [0,2,0,0,0,0|0,0,2]=4 5802 B9R0.5 C=CCCNC(=O)NCC 512a_100015191253_100015525214 [0,2,0,0,0,0|0,0,2]=4 5803 B9R0.5 C=CCCNC(=O)NCC 512a_100015525214_100015191253 [0,2,0,0,0,0|0,0,2]=4 5804 B9R0.5 C=CCNCC(=O)CCC 2230a_100020586998_100000747444 [0,2,0,0,0,0|0,0,2]=4 5805 B9R0.5 C=CCNCC(=O)NCC 2230a_100016988866_100000210623 [0,2,0,0,0,0|0,0,2]=4 5806 B9R0.5 C=CCNCC(=O)NCC 2230a_100020586998_100000183381 [0,2,0,0,0,0|0,0,2]=4 5807 B9R0.5 C=CCNCC(=O)OCC 2230a_100020586998_100000188475 [0,2,0,0,0,0|0,0,2]=4 5808 B9R0.5 C=CCOCC(=O)NCC 34a_200000210373_100000183381 [0,2,0,0,0,0|0,0,2]=4 5809 B9R0.5 C=CCOCC(=O)OCC 34a_200000210373_100000188475 [0,2,0,0,0,0|0,0,2]=4 5810 B9R0.5 C=CCSCC(=O)CCC 1458a_100000230395_100000210303 [0,2,0,0,0,0|0,0,2]=4 5811 B9R0.5 C=CCSCC(=O)CCC 62a_100000210623_100000747444 [0,2,0,0,0,0|0,0,2]=4 5812 B9R0.5 C=CCSCC(=O)CCC 62a_100000747444_100000210623 [0,2,0,0,0,0|0,0,2]=4 5813 B9R0.5 C=CCSCC(=O)CCF 1458a_100000230395_100011217306 [0,2,0,0,0,0|0,0,2]=4 5814 B9R0.5 C=CCSCC(=O)CCO 1458a_100000230395_100000211926 [0,2,0,0,0,0|0,0,2]=4 5815 B9R0.5 C=CCSCC(=O)NCC 11a_100015525214_100000230395 [0,2,0,0,0,0|0,0,2]=4 5816 B9R0.5 C=CCSCC(=O)NCC 240690a_100015525214_100000230395 [0,2,0,0,0,0|0,0,2]=4 5817 B9R0.5 C=CCSCC(=O)NCC 527a_100015525214_100000230395 [0,2,0,0,0,0|0,0,2]=4 5818 B9R0.5 C=CCSCC(=O)NCC 62a_100000183381_100000210623 [0,2,0,0,0,0|0,0,2]=4 5819 B9R0.5 C=CCSCC(=O)NCC 62a_100000210623_100000183381 [0,2,0,0,0,0|0,0,2]=4 5820 B9R0.5 C=CCSCC(=O)OCC 62a_100000188475_100000210623 [0,2,0,0,0,0|0,0,2]=4 5821 B9R0.5 C=CCSCC(=O)OCC 62a_100000210623_100000188475 [0,2,0,0,0,0|0,0,2]=4 5822 B9R0.5 C=COC(=O)COCCC 34a_100000210258_100000036128 [0,2,0,0,0,0|0,0,2]=4 5823 B9R0.5 C=COC(=O)CSCCC 62a_100000036128_100000210303 [0,2,0,0,0,0|0,0,2]=4 5824 B9R0.5 C=COC(=O)CSCCC 62a_100000210303_100000036128 [0,2,0,0,0,0|0,0,2]=4 5825 B9R0.5 C=COCCC(=O)CCC 1458a_100000211992_100000039644 [0,2,0,0,0,0|0,0,2]=4 5826 B9R0.5 C=COCCC(=O)CCO 1458a_100011216618_100000039644 [0,2,0,0,0,0|0,0,2]=4 5827 B9R0.5 C=COCCC(=O)COC 1458a_100000210968_100000039644 [0,2,0,0,0,0|0,0,2]=4 5828 B9R0.5 C=COCCC(=O)CSC 1458a_100000184570_100000039644 [0,2,0,0,0,0|0,0,2]=4 5829 B9R0.5 CC#CC(=O)C/C=C\CC 1458a_100000763181_100103147603 [0,2,0,0,0,0|0,0,2]=4 5830 B9R0.5 CC#CC(=O)CC#CCC 1458a_100000763181_100009813939 [0,2,0,0,0,0|0,0,2]=4 5831 B9R0.5 CC#CC(=O)CCCC#N 1458a_100000763181_100000211468 [0,2,0,0,0,0|0,0,2]=4 5832 B9R0.5 CC#CC(=O)CCCCC 1458a_100000763181_100000210326 [0,2,0,0,0,0|0,0,1]=3 5833 B9R0.5 CC#CC(=O)CCCCF 1458a_100000763181_100000729493 [0,2,0,0,0,0|0,0,1]=3 5834 B9R0.5 CC#CC(=O)CCCCO 1458a_100000763181_100000210776 [0,2,0,0,0,0|0,0,1]=3 5835 B9R0.5 CC#CC(=O)CCCOC 1458a_100000763181_100000740836 [0,2,0,0,0,0|0,0,1]=3 5836 B9R0.5 CC#CC(=O)CCOCC 1458a_100000763181_100011215890 [0,2,0,0,0,0|0,0,1]=3 5837 B9R0.5 CC#CC(=O)CCSCC 1458a_100000763181_100000757381 [0,2,0,0,0,0|0,0,1]=3 5838 B9R0.5 CC#CC(=O)NNCCC 22a_100000740057_100000763181 [0,2,0,0,0,0|1,0,1]=4 5839 B9R0.5 CC#CCNC(=O)CCC 11a_100000685387_100000211992 [0,2,0,0,0,0|0,0,2]=4 5840 B9R0.5 CC#CCNC(=O)CCC 1626a_100000685387_100000211992 [0,2,0,0,0,0|0,0,2]=4 5841 B9R0.5 CC#CCNC(=O)CCC 527a_100000685387_100000211992 [0,2,0,0,0,0|0,0,2]=4 5842 B9R0.5 CC#CCNC(=O)COC 11a_100000685387_100000210968 [0,2,0,0,0,0|0,0,2]=4 5843 B9R0.5 CC#CCNC(=O)COC 1626a_100000685387_100000210968 [0,2,0,0,0,0|0,0,2]=4 5844 B9R0.5 CC#CCNC(=O)COC 527a_100000685387_100000210968 [0,2,0,0,0,0|0,0,2]=4 5845 B9R0.5 CC#CCNC(=O)CSC 11a_100000685387_100000184570 [0,2,0,0,0,0|0,0,2]=4 5846 B9R0.5 CC#CCNC(=O)CSC 1626a_100000685387_100000184570 [0,2,0,0,0,0|0,0,2]=4 5847 B9R0.5 CC#CCNC(=O)CSC 527a_100000685387_100000184570 [0,2,0,0,0,0|0,0,2]=4 5848 B9R0.5 CC#CCNC(=O)NCC 2708a_100015525214_100000685387 [0,2,0,0,0,0|0,0,2]=4 5849 B9R0.5 CC#CCNC(=O)NCC 273464a_100000685387_100015525214 [0,2,0,0,0,0|0,0,2]=4 5850 B9R0.5 CC#CCNC(=O)NCC 273464a_100015525214_100000685387 [0,2,0,0,0,0|0,0,2]=4 5851 B9R0.5 CC#CCNC(=O)NCC 512a_100000685387_100015525214 [0,2,0,0,0,0|0,0,2]=4 5852 B9R0.5 CC#CCNC(=O)NCC 512a_100015525214_100000685387 [0,2,0,0,0,0|0,0,2]=4 5853 B9R0.5 CC/C=C/CC(=O)CC#N 1458a_100016274230_100011214920 [0,2,0,0,0,0|0,0,2]=4 5854 B9R0.5 CC/C=C/CC(=O)CCC 1458a_100016274230_100000210303 [0,2,0,0,0,0|0,0,1]=3 5855 B9R0.5 CC/C=C/CC(=O)CCF 1458a_100016274230_100011217306 [0,2,0,0,0,0|0,0,1]=3 5856 B9R0.5 CC/C=C/CC(=O)CCO 1458a_100016274230_100000211926 [0,2,0,0,0,0|0,0,1]=3 5857 B9R0.5 CC/C=C/CC(=O)NCC 11a_100015525214_100016274230 [0,2,0,0,0,0|0,0,1]=3 5858 B9R0.5 CC/C=C/CC(=O)NCC 240690a_100015525214_100016274230 [0,2,0,0,0,0|0,0,1]=3 5859 B9R0.5 CC/C=C/CC(=O)NCC 527a_100015525214_100016274230 [0,2,0,0,0,0|0,0,1]=3 5860 B9R0.5 CC/C=C/CC(=O)NNC 22a_100016993582_100016274230 [0,2,0,0,0,0|1,0,1]=4 5861 B9R0.5 CC/C=C\CC(=O)CC#N 1458a_100051588842_100103147603 [0,2,0,0,0,0|0,0,2]=4 5862 B9R0.5 CC/C=C\CC(=O)CCC 1458a_100000211992_100103147603 [0,2,0,0,0,0|0,0,1]=3 5863 B9R0.5 CC/C=C\CC(=O)CCO 1458a_100011216618_100103147603 [0,2,0,0,0,0|0,0,1]=3 5864 B9R0.5 CC/C=C\CC(=O)COC 1458a_100000210968_100103147603 [0,2,0,0,0,0|0,0,1]=3 5865 B9R0.5 CC/C=C\CC(=O)CSC 1458a_100000184570_100103147603 [0,2,0,0,0,0|0,0,1]=3 5866 B9R0.5 CC=CC(=O)C/C=C\CC 1458a_100000210699_100103147603 [0,2,0,0,0,0|0,0,2]=4 5867 B9R0.5 CC=CC(=O)CC#CCC 1458a_100000210699_100009813939 [0,2,0,0,0,0|0,0,2]=4 5868 B9R0.5 CC=CC(=O)CCCC#N 1458a_100000210699_100000211468 [0,2,0,0,0,0|0,0,2]=4 5869 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [0,2,0,0,0,0|0,0,1]=3 5870 B9R0.5 CC=CC(=O)CCCCF 1458a_100000210699_100000729493 [0,2,0,0,0,0|0,0,1]=3 5871 B9R0.5 CC=CC(=O)CCCCO 1458a_100000210699_100000210776 [0,2,0,0,0,0|0,0,1]=3 5872 B9R0.5 CC=CC(=O)CCCOC 1458a_100000210699_100000740836 [0,2,0,0,0,0|0,0,1]=3 5873 B9R0.5 CC=CC(=O)CCOCC 1458a_100000210699_100011215890 [0,2,0,0,0,0|0,0,1]=3 5874 B9R0.5 CC=CC(=O)CCSCC 1458a_100000210699_100000757381 [0,2,0,0,0,0|0,0,1]=3 5875 B9R0.5 CC=CC(=O)NCCCC 11a_100000102301_100000210699 [0,2,0,0,0,0|0,0,1]=3 5876 B9R0.5 CC=CC(=O)NCCCC 1626a_100000102301_100000210699 [0,2,0,0,0,0|0,0,1]=3 5877 B9R0.5 CC=CC(=O)NCCCC 240690a_100000102301_100000210699 [0,2,0,0,0,0|0,0,1]=3 5878 B9R0.5 CC=CC(=O)NCCCF 11a_100015189416_100000210699 [0,2,0,0,0,0|1,0,1]=4 5879 B9R0.5 CC=CC(=O)NCCCF 1626a_100015189416_100000210699 [0,2,0,0,0,0|1,0,1]=4 5880 B9R0.5 CC=CC(=O)NCCCF 240690a_100015189416_100000210699 [0,2,0,0,0,0|1,0,1]=4 5881 B9R0.5 CC=CC(=O)NCCCO 240690a_100000182051_100000210699 [0,2,0,0,0,0|1,0,1]=4 5882 B9R0.5 CC=CC(=O)NCCOC 1626a_100000209980_100000210699 [0,2,0,0,0,0|1,0,1]=4 5883 B9R0.5 CC=CC(=O)NCCOC 240690a_100000209980_100000210699 [0,2,0,0,0,0|1,0,1]=4 5884 B9R0.5 CC=CC(=O)NCCSC 11a_100020590264_100000210699 [0,2,0,0,0,0|1,0,1]=4 5885 B9R0.5 CC=CC(=O)NCCSC 1626a_100020590264_100000210699 [0,2,0,0,0,0|1,0,1]=4 5886 B9R0.5 CC=CC(=O)NCCSC 240690a_100020590264_100000210699 [0,2,0,0,0,0|1,0,1]=4 5887 B9R0.5 CC=CC(=O)NNCCC 22a_100000740057_100000210699 [0,2,0,0,0,0|1,0,1]=4 5888 B9R0.5 CCC#CCC(=O)CC#N 1458a_100051588842_100009813939 [0,2,0,0,0,0|0,0,2]=4 5889 B9R0.5 CCC#CCC(=O)CCC 1458a_100000211992_100009813939 [0,2,0,0,0,0|0,0,1]=3 5890 B9R0.5 CCC#CCC(=O)CCO 1458a_100011216618_100009813939 [0,2,0,0,0,0|0,0,1]=3 5891 B9R0.5 CCC#CCC(=O)COC 1458a_100000210968_100009813939 [0,2,0,0,0,0|0,0,1]=3 5892 B9R0.5 CCC#CCC(=O)CSC 1458a_100000184570_100009813939 [0,2,0,0,0,0|0,0,1]=3 5893 B9R0.5 CCC=NNC(=O)CCC 4a_100000189770_100000210100 [0,2,0,0,0,0|1,0,1]=4 5894 B9R0.5 CCC=NNC(=O)COC 4a_100000216845_100000210100 [0,2,0,0,0,0|1,0,1]=4 5895 B9R0.5 CCCC#CC(=O)CC#N 1458a_200011218047_100011214920 [0,2,0,0,0,0|0,0,2]=4 5896 B9R0.5 CCCC#CC(=O)CCC 1458a_200011218047_100000210303 [0,2,0,0,0,0|0,0,1]=3 5897 B9R0.5 CCCC#CC(=O)CCF 1458a_200011218047_100011217306 [0,2,0,0,0,0|0,0,1]=3 5898 B9R0.5 CCCC#CC(=O)CCO 1458a_200011218047_100000211926 [0,2,0,0,0,0|0,0,1]=3 5899 B9R0.5 CCCC#CC(=O)NCC 240690a_100015525214_200011218047 [0,2,0,0,0,0|0,0,1]=3 5900 B9R0.5 CCCC#CC(=O)NNC 22a_100016993582_200011218047 [0,2,0,0,0,0|1,0,1]=4 5901 B9R0.5 CCCC(=O)C=CCOC 1458a_100016285016_100000210303 [0,2,0,0,0,0|0,0,2]=4 5902 B9R0.5 CCCC(=O)C=COCC 1458a_100016266692_100000210303 [0,2,0,0,0,0|0,0,2]=4 5903 B9R0.5 CCCC(=O)CC#CCO 1458a_100000211992_200000047223 [0,2,0,0,0,0|0,0,2]=4 5904 B9R0.5 CCCC(=O)CCCC#N 1458a_100000075515_100000210303 [0,2,0,0,0,0|0,0,1]=3 5905 B9R0.5 CCCC(=O)CCCC#N 1458a_100000211992_100000211468 [0,2,0,0,0,0|0,0,1]=3 5906 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [0,2,0,0,0,0|0,0,0]=2 5907 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [0,2,0,0,0,0|0,0,0]=2 5908 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [0,2,0,0,0,0|0,0,0]=2 5909 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [0,2,0,0,0,0|0,0,0]=2 5910 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [0,2,0,0,0,0|0,0,0]=2 5911 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [0,2,0,0,0,0|0,0,0]=2 5912 B9R0.5 CCCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210303 [0,2,0,0,0,0|2,0,0]=4 5913 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [0,2,0,0,0,0|0,0,0]=2 5914 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [0,2,0,0,0,0|0,0,0]=2 5915 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [0,2,0,0,0,0|0,0,0]=2 5916 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [0,2,0,0,0,0|0,0,0]=2 5917 B9R0.5 CCCC(=O)CNCCO 2230a_100016997473_100000747444 [0,2,0,0,0,0|1,0,0]=3 5918 B9R0.5 CCCC(=O)COCCO 1458a_100000708028_100000210303 [0,2,0,0,0,0|1,0,0]=3 5919 B9R0.5 CCCC(=O)CSCC#N 1458a_100000150266_100000210303 [0,2,0,0,0,0|1,0,1]=4 5920 B9R0.5 CCCC(=O)CSCC#N 62a_100000747444_100011215382 [0,2,0,0,0,0|1,0,1]=4 5921 B9R0.5 CCCC(=O)CSCC#N 62a_100011215382_100000747444 [0,2,0,0,0,0|1,0,1]=4 5922 B9R0.5 CCCC(=O)CSCC=O 62a_100000747444_200015260668 [0,2,0,0,0,0|1,0,1]=4 5923 B9R0.5 CCCC(=O)CSCC=O 62a_200015260668_100000747444 [0,2,0,0,0,0|1,0,1]=4 5924 B9R0.5 CCCC(=O)CSCCF 62a_100000747444_100011217306 [0,2,0,0,0,0|1,0,0]=3 5925 B9R0.5 CCCC(=O)CSCCF 62a_100011217306_100000747444 [0,2,0,0,0,0|1,0,0]=3 5926 B9R0.5 CCCC(=O)CSCCO 62a_100000211926_100000747444 [0,2,0,0,0,0|1,0,0]=3 5927 B9R0.5 CCCC(=O)CSCCO 62a_100000747444_100000211926 [0,2,0,0,0,0|1,0,0]=3 5928 B9R0.5 CCCC(=O)CSCOC 62a_100000747444_100000766300 [0,2,0,0,0,0|1,0,0]=3 5929 B9R0.5 CCCC(=O)CSCOC 62a_100000766300_100000747444 [0,2,0,0,0,0|1,0,0]=3 5930 B9R0.5 CCCC(=O)CSCSC 62a_100000747444_100011218213 [0,2,0,0,0,0|1,0,0]=3 5931 B9R0.5 CCCC(=O)CSCSC 62a_100011218213_100000747444 [0,2,0,0,0,0|1,0,0]=3 5932 B9R0.5 CCCC(=O)NCCC#N 11a_100000720768_100000211992 [0,2,0,0,0,0|1,0,1]=4 5933 B9R0.5 CCCC(=O)NCCC#N 1626a_100000720768_100000211992 [0,2,0,0,0,0|1,0,1]=4 5934 B9R0.5 CCCC(=O)NCCC#N 240690a_100000720768_100000211992 [0,2,0,0,0,0|1,0,1]=4 5935 B9R0.5 CCCC(=O)NCCC#N 527a_100000720768_100000211992 [0,2,0,0,0,0|1,0,1]=4 5936 B9R0.5 CCCC(=O)NCCCF 11a_100015189416_100000211992 [0,2,0,0,0,0|1,0,0]=3 5937 B9R0.5 CCCC(=O)NCCCF 1626a_100015189416_100000211992 [0,2,0,0,0,0|1,0,0]=3 5938 B9R0.5 CCCC(=O)NCCCF 240690a_100015189416_100000211992 [0,2,0,0,0,0|1,0,0]=3 5939 B9R0.5 CCCC(=O)NCCCF 527a_100015189416_100000211992 [0,2,0,0,0,0|1,0,0]=3 5940 B9R0.5 CCCC(=O)NCCCO 240690a_100000182051_100000211992 [0,2,0,0,0,0|1,0,0]=3 5941 B9R0.5 CCCC(=O)NCCCO 527a_100000182051_100000211992 [0,2,0,0,0,0|1,0,0]=3 5942 B9R0.5 CCCC(=O)NCCOC 1626a_100000209980_100000211992 [0,2,0,0,0,0|1,0,0]=3 5943 B9R0.5 CCCC(=O)NCCOC 240690a_100000209980_100000211992 [0,2,0,0,0,0|1,0,0]=3 5944 B9R0.5 CCCC(=O)NCCOC 527a_100000209980_100000211992 [0,2,0,0,0,0|1,0,0]=3 5945 B9R0.5 CCCC(=O)NCCSC 11a_100020590264_100000211992 [0,2,0,0,0,0|1,0,0]=3 5946 B9R0.5 CCCC(=O)NCCSC 1626a_100020590264_100000211992 [0,2,0,0,0,0|1,0,0]=3 5947 B9R0.5 CCCC(=O)NCCSC 240690a_100020590264_100000211992 [0,2,0,0,0,0|1,0,0]=3 5948 B9R0.5 CCCC(=O)NCCSC 527a_100020590264_100000211992 [0,2,0,0,0,0|1,0,0]=3 5949 B9R0.5 CCCC(=O)NNCCO 22a_100000210001_100000211992 [0,2,0,0,0,0|2,0,0]=4 5950 B9R0.5 CCCC(=O)OCNCC 2230a_100015525214_100000034017 [0,2,0,0,0,0|1,0,0]=3 5951 B9R0.5 CCCC(=O)OCOCC 34a_100121572206_100000034017 [0,2,0,0,0,0|1,0,0]=3 5952 B9R0.5 CCCC(=O)OCSCC 62a_100000210202_100000034017 [0,2,0,0,0,0|1,0,0]=3 5953 B9R0.5 CCCC(=O)OCSCF 62a_100015361967_100000034017 [0,2,0,0,0,0|2,0,0]=4 5954 B9R0.5 CCCC(C)CCCOC 34a_100011713154_200000210301 [0,2,0,0,0,0|1,0,1]=4 5955 B9R0.5 CCCC(C)CCCOC 7a_100011713154_200000210301 [0,2,0,0,0,0|1,0,1]=4 5956 B9R0.5 CCCC(C)CCCO[13CH3] 34a_100011713154_200025704644 [0,2,0,0,0,0|1,0,1]=4 5957 B9R0.5 CCCC(C)CCCO[13CH3] 7a_100011713154_200025704644 [0,2,0,0,0,0|1,0,1]=4 5958 B9R0.5 CCCC(C)CCOCC 34a_100011217855_100000210202 [0,2,0,0,0,0|1,0,1]=4 5959 B9R0.5 CCCC(C)CCOCC 7a_100011217855_100000210202 [0,2,0,0,0,0|1,0,1]=4 5960 B9R0.5 CCCC=CC(=O)CC#N 1458a_100000212230_100011214920 [0,2,0,0,0,0|0,0,2]=4 5961 B9R0.5 CCCC=CC(=O)CCC 1458a_100000212230_100000210303 [0,2,0,0,0,0|0,0,1]=3 5962 B9R0.5 CCCC=CC(=O)CCF 1458a_100000212230_100011217306 [0,2,0,0,0,0|0,0,1]=3 5963 B9R0.5 CCCC=CC(=O)CCO 1458a_100000212230_100000211926 [0,2,0,0,0,0|0,0,1]=3 5964 B9R0.5 CCCC=CC(=O)NCC 11a_100015525214_100000212230 [0,2,0,0,0,0|0,0,1]=3 5965 B9R0.5 CCCC=CC(=O)NCC 240690a_100015525214_100000212230 [0,2,0,0,0,0|0,0,1]=3 5966 B9R0.5 CCCC=CC(=O)NNC 22a_100016993582_100000212230 [0,2,0,0,0,0|1,0,1]=4 5967 B9R0.5 CCCCCC(=O)C=CBr 1458a_100016273825_100000210326 [0,2,0,0,0,0|0,0,2]=4 5968 B9R0.5 CCCCCC(=O)C=CCl 1458a_200016279998_100000210326 [0,2,0,0,0,0|0,0,2]=4 5969 B9R0.5 CCCCCC(=O)C=CI 1458a_100016256311_100000210326 [0,2,0,0,0,0|0,0,2]=4 5970 B9R0.5 CCCCCC(=O)CC#N 1458a_100000212188_100011214920 [0,2,0,0,0,0|0,0,1]=3 5971 B9R0.5 CCCCCC(=O)CC#N 1458a_100051588842_100000210326 [0,2,0,0,0,0|0,0,1]=3 5972 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [0,2,0,0,0,0|0,0,0]=2 5973 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [0,2,0,0,0,0|0,0,0]=2 5974 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [0,2,0,0,0,0|0,0,0]=2 5975 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [0,2,0,0,0,0|0,0,0]=2 5976 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [0,2,0,0,0,0|0,0,0]=2 5977 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [0,2,0,0,0,0|0,0,0]=2 5978 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [0,2,0,0,0,0|0,0,0]=2 5979 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [0,2,0,0,0,0|0,0,0]=2 5980 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [0,2,0,0,0,0|0,0,0]=2 5981 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [0,2,0,0,0,0|0,0,0]=2 5982 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [0,2,0,0,0,0|0,0,0]=2 5983 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [0,2,0,0,0,0|0,0,0]=2 5984 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [0,2,0,0,0,0|0,0,0]=2 5985 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [0,2,0,0,0,0|0,0,0]=2 5986 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [0,2,0,0,0,0|0,0,0]=2 5987 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [0,2,0,0,0,0|0,0,0]=2 5988 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [0,2,0,0,0,0|0,0,0]=2 5989 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [0,2,0,0,0,0|0,0,0]=2 5990 B9R0.5 CCCCCC(=O)NNC 22a_100016993582_100000212188 [0,2,0,0,0,0|1,0,0]=3 5991 B9R0.5 CCCCCC(C)NCC 2230a_100000211957_100000210202 [0,2,0,0,0,0|1,0,1]=4 5992 B9R0.5 CCCCCC(C)NCC 2230a_100015525214_200011218191 [0,2,0,0,0,0|1,0,1]=4 5993 B9R0.5 CCCCCC(C)NCC 270004a_100015525214_100000211708 [0,2,0,0,0,0|1,0,1]=4 5994 B9R0.5 CCCCCC(C)OCC 34a_100011215632_100000210202 [0,2,0,0,0,0|1,0,1]=4 5995 B9R0.5 CCCCCC(C)OCC 34a_100121572206_200011218191 [0,2,0,0,0,0|1,0,1]=4 5996 B9R0.5 CCCCCC(C)OCC 7a_100011215632_100000210202 [0,2,0,0,0,0|1,0,1]=4 5997 B9R0.5 CCCCCC(C)SCC 62a_100000210202_200011218191 [0,2,0,0,0,0|1,0,1]=4 5998 B9R0.5 CCCCCC(C)SCC 62a_200011218191_100000210202 [0,2,0,0,0,0|1,0,1]=4 5999 B9R0.5 CCCCCN(C)CCC 2230a_100000223495_100000210303 [0,2,0,0,0,0|2,0,0]=4 6000 B9R0.5 CCCCCN(C)CCC 2230a_100000747261_100000210326 [0,2,0,0,0,0|2,0,0]=4 6001 B9R0.5 CCCCCN(C)CCC 2230a_200000226819_200000210301 [0,2,0,0,0,0|2,0,0]=4 6002 B9R0.5 CCCCCN(C)CCC 269982a_100000223495_100000210303 [0,2,0,0,0,0|2,0,0]=4 6003 B9R0.5 CCCCCN(C)CCC 269982a_100000747261_100000210215 [0,2,0,0,0,0|2,0,0]=4 6004 B9R0.5 CCCCCN(C)CCC 269982a_200000226819_200000210301 [0,2,0,0,0,0|2,0,0]=4 6005 B9R0.5 CCCCCN(C)CCF 2230a_100000223495_100011217306 [0,2,0,0,0,0|2,0,0]=4 6006 B9R0.5 CCCCCN(C)CCF 269982a_100000223495_100011217306 [0,2,0,0,0,0|2,0,0]=4 6007 B9R0.5 CCCCCN(C)CCO 2230a_100000210263_100000210326 [0,2,0,0,0,0|2,0,0]=4 6008 B9R0.5 CCCCCN(C)CCO 2230a_100000223495_100000211926 [0,2,0,0,0,0|2,0,0]=4 6009 B9R0.5 CCCCCN(C)CCO 2230a_100000224656_200000210301 [0,2,0,0,0,0|2,0,0]=4 6010 B9R0.5 CCCCCN(C)CCO 269982a_100000210263_100000210215 [0,2,0,0,0,0|2,0,0]=4 6011 B9R0.5 CCCCCN(C)CCO 269982a_100000223495_100000211926 [0,2,0,0,0,0|2,0,0]=4 6012 B9R0.5 CCCCCN(C)CCO 269982a_100000224656_200000210301 [0,2,0,0,0,0|2,0,0]=4 6013 B9R0.5 CCCCCN(C)COC 2230a_100000223495_100000766300 [0,2,0,0,0,0|2,0,0]=4 6014 B9R0.5 CCCCCN(C)COC 269982a_100000223495_100000766300 [0,2,0,0,0,0|2,0,0]=4 6015 B9R0.5 CCCCCN(C)CSC 2230a_100000223495_100011218213 [0,2,0,0,0,0|2,0,0]=4 6016 B9R0.5 CCCCCN(C)CSC 269982a_100000223495_100011218213 [0,2,0,0,0,0|2,0,0]=4 6017 B9R0.5 CCCCCN([13CH3])CCC 2230a_200000226819_200025704644 [0,2,0,0,0,0|2,0,0]=4 6018 B9R0.5 CCCCCN([13CH3])CCC 269982a_200000226819_200025704644 [0,2,0,0,0,0|2,0,0]=4 6019 B9R0.5 CCCCCN([13CH3])CCO 2230a_100000224656_200025704644 [0,2,0,0,0,0|2,0,0]=4 6020 B9R0.5 CCCCCN([13CH3])CCO 269982a_100000224656_200025704644 [0,2,0,0,0,0|2,0,0]=4 6021 B9R0.5 CCCCNC(=O)C=CBr 1626a_100000102301_100016273825 [0,2,0,0,0,0|0,0,2]=4 6022 B9R0.5 CCCCNC(=O)C=CBr 240690a_100000102301_100016273825 [0,2,0,0,0,0|0,0,2]=4 6023 B9R0.5 CCCCNC(=O)C=CCl 11a_100000102301_200016279998 [0,2,0,0,0,0|0,0,2]=4 6024 B9R0.5 CCCCNC(=O)C=CCl 1626a_100000102301_200016279998 [0,2,0,0,0,0|0,0,2]=4 6025 B9R0.5 CCCCNC(=O)C=CCl 240690a_100000102301_200016279998 [0,2,0,0,0,0|0,0,2]=4 6026 B9R0.5 CCCCNC(=O)C=CI 1626a_100000102301_100016256311 [0,2,0,0,0,0|0,0,2]=4 6027 B9R0.5 CCCCNC(=O)CC#N 1626a_100000102301_100051588842 [0,2,0,0,0,0|0,0,1]=3 6028 B9R0.5 CCCCNC(=O)CC#N 240690a_100000102301_100051588842 [0,2,0,0,0,0|0,0,1]=3 6029 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [0,2,0,0,0,0|0,0,0]=2 6030 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [0,2,0,0,0,0|0,0,0]=2 6031 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [0,2,0,0,0,0|0,0,0]=2 6032 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [0,2,0,0,0,0|0,0,0]=2 6033 B9R0.5 CCCCNC(=O)CCO 240690a_100000102301_100011216618 [0,2,0,0,0,0|0,0,0]=2 6034 B9R0.5 CCCCNC(=O)CNC 2230a_106832991635_100000182744 [0,2,0,0,0,0|0,0,0]=2 6035 B9R0.5 CCCCNC(=O)CNC 34a_100102657272_100000182744 [0,2,0,0,0,0|0,0,0]=2 6036 B9R0.5 CCCCNC(=O)CNC 7a_106832991635_100000182744 [0,2,0,0,0,0|0,0,0]=2 6037 B9R0.5 CCCCNC(=O)COC 11a_100000102301_100000210968 [0,2,0,0,0,0|0,0,0]=2 6038 B9R0.5 CCCCNC(=O)COC 1626a_100000102301_100000210968 [0,2,0,0,0,0|0,0,0]=2 6039 B9R0.5 CCCCNC(=O)COC 240690a_100000102301_100000210968 [0,2,0,0,0,0|0,0,0]=2 6040 B9R0.5 CCCCNC(=O)COC 34a_100138415774_100000182744 [0,2,0,0,0,0|0,0,0]=2 6041 B9R0.5 CCCCNC(=O)COC 527a_100000102301_100000210968 [0,2,0,0,0,0|0,0,0]=2 6042 B9R0.5 CCCCNC(=O)CSC 11a_100000102301_100000184570 [0,2,0,0,0,0|0,0,0]=2 6043 B9R0.5 CCCCNC(=O)CSC 1626a_100000102301_100000184570 [0,2,0,0,0,0|0,0,0]=2 6044 B9R0.5 CCCCNC(=O)CSC 240690a_100000102301_100000184570 [0,2,0,0,0,0|0,0,0]=2 6045 B9R0.5 CCCCNC(=O)CSC 527a_100000102301_100000184570 [0,2,0,0,0,0|0,0,0]=2 6046 B9R0.5 CCCCNC(=O)CSC 62a_100000182744_200000210301 [0,2,0,0,0,0|0,0,0]=2 6047 B9R0.5 CCCCNC(=O)CSC 62a_200000210301_100000182744 [0,2,0,0,0,0|0,0,0]=2 6048 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_100000182744_200025704644 [0,2,0,0,0,0|0,0,0]=2 6049 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_200025704644_100000182744 [0,2,0,0,0,0|0,0,0]=2 6050 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [0,2,0,0,0,0|0,0,0]=2 6051 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [0,2,0,0,0,0|0,0,0]=2 6052 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [0,2,0,0,0,0|0,0,0]=2 6053 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [0,2,0,0,0,0|0,0,0]=2 6054 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [0,2,0,0,0,0|0,0,0]=2 6055 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [0,2,0,0,0,0|0,0,0]=2 6056 B9R0.5 CCCCNC(=O)NNC 273464a_100000102301_100016993582 [0,2,0,0,0,0|1,0,0]=3 6057 B9R0.5 CCCCNC(=O)NNC 512a_100000102301_100016993582 [0,2,0,0,0,0|1,0,0]=3 6058 B9R0.5 CCCCNC(=O)NNC 512a_100016993582_100000102301 [0,2,0,0,0,0|1,0,0]=3 6059 B9R0.5 CCCCNC(C)CCC 2230a_100000102301_100000766640 [0,2,0,0,0,0|1,0,1]=4 6060 B9R0.5 CCCCNC(C)CCC 2230a_100000741246_100000210211 [0,2,0,0,0,0|1,0,1]=4 6061 B9R0.5 CCCCNC(C)CCC 270004a_100000102301_100000211909 [0,2,0,0,0,0|1,0,1]=4 6062 B9R0.5 CCCCNC(C)CCC 7a_106832991798_100000766640 [0,2,0,0,0,0|1,0,1]=4 6063 B9R0.5 CCCCNC(C)CCO 2230a_100000102301_100009893172 [0,2,0,0,0,0|1,0,1]=4 6064 B9R0.5 CCCCNC(C)CCO 7a_106832991798_100009893172 [0,2,0,0,0,0|1,0,1]=4 6065 B9R0.5 CCCCNC(C)COC 2230a_100000102301_100000765312 [0,2,0,0,0,0|1,0,1]=4 6066 B9R0.5 CCCCNC(C)COC 270004a_100000102301_100000749346 [0,2,0,0,0,0|1,0,1]=4 6067 B9R0.5 CCCCNC(C)COC 7a_106832991798_100000765312 [0,2,0,0,0,0|1,0,1]=4 6068 B9R0.5 CCCCNC(C)CSC 270004a_100000102301_100011216314 [0,2,0,0,0,0|1,0,1]=4 6069 B9R0.5 CCCCN[C@H](C)CCO 2230a_100000706166_100000210211 [0,2,0,0,0,0|1,0,1]=4 6070 B9R0.5 CCCCN[C@H](C)CCO 34a_100000706166_100000210210 [0,2,0,0,0,0|1,0,1]=4 6071 B9R0.5 CCCCN[C@H](C)COC 2230a_100000764878_100000210211 [0,2,0,0,0,0|1,0,1]=4 6072 B9R0.5 CCCCOC(=O)CNC 2230a_106832991635_100000211628 [0,2,0,0,0,0|0,0,0]=2 6073 B9R0.5 CCCCOC(=O)CNC 34a_100102657272_100000211628 [0,2,0,0,0,0|0,0,0]=2 6074 B9R0.5 CCCCOC(=O)CNC 7a_106832991635_100000211628 [0,2,0,0,0,0|0,0,0]=2 6075 B9R0.5 CCCCOC(=O)COC 34a_100138415774_100000211628 [0,2,0,0,0,0|0,0,0]=2 6076 B9R0.5 CCCCOC(=O)CSC 62a_100000211628_200000210301 [0,2,0,0,0,0|0,0,0]=2 6077 B9R0.5 CCCCOC(=O)CSC 62a_200000210301_100000211628 [0,2,0,0,0,0|0,0,0]=2 6078 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_100000211628_200025704644 [0,2,0,0,0,0|0,0,0]=2 6079 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_200025704644_100000211628 [0,2,0,0,0,0|0,0,0]=2 6080 B9R0.5 CCCCOC(C)CCBr 34a_100012276601_100000210210 [0,2,0,0,0,0|1,0,1]=4 6081 B9R0.5 CCCCOC(C)CCC 34a_100000210227_100000766640 [0,2,0,0,0,0|1,0,1]=4 6082 B9R0.5 CCCCOC(C)CCC 34a_100000764384_100000210210 [0,2,0,0,0,0|1,0,1]=4 6083 B9R0.5 CCCCOC(C)CCC 7a_100000210227_100000766640 [0,2,0,0,0,0|1,0,1]=4 6084 B9R0.5 CCCCOC(C)CCC 7a_100000764384_100000210211 [0,2,0,0,0,0|1,0,1]=4 6085 B9R0.5 CCCCOC(C)CCO 34a_100000210227_100009893172 [0,2,0,0,0,0|1,0,1]=4 6086 B9R0.5 CCCCOC(C)CCO 7a_100000210227_100009893172 [0,2,0,0,0,0|1,0,1]=4 6087 B9R0.5 CCCCOC(C)COC 34a_100000210227_100000765312 [0,2,0,0,0,0|1,0,1]=4 6088 B9R0.5 CCCCOC(C)COC 7a_100000210227_100000765312 [0,2,0,0,0,0|1,0,1]=4 6089 B9R0.5 CCCCO[C@H](C)COC 34a_100011934205_100000210210 [0,2,0,0,0,0|1,0,1]=4 6090 B9R0.5 CCCCSC(C)CCC 62a_100000210211_100000766640 [0,2,0,0,0,0|1,0,1]=4 6091 B9R0.5 CCCCSC(C)CCC 62a_100000766640_100000210210 [0,2,0,0,0,0|1,0,1]=4 6092 B9R0.5 CCCCSC(C)CCO 62a_100000210211_100009893172 [0,2,0,0,0,0|1,0,1]=4 6093 B9R0.5 CCCCSC(C)CCO 62a_100009893172_100000210210 [0,2,0,0,0,0|1,0,1]=4 6094 B9R0.5 CCCCSC(C)COC 62a_100000210211_100000765312 [0,2,0,0,0,0|1,0,1]=4 6095 B9R0.5 CCCCSC(C)COC 62a_100000765312_100000210210 [0,2,0,0,0,0|1,0,1]=4 6096 B9R0.5 CCCN(C)CCCCF 2230a_100000747261_100000729493 [0,2,0,0,0,0|2,0,0]=4 6097 B9R0.5 CCCN(C)CCCCF 269982a_100000747261_100000729493 [0,2,0,0,0,0|2,0,0]=4 6098 B9R0.5 CCCN(C)CCCCO 2230a_100000717598_100000210303 [0,2,0,0,0,0|2,0,0]=4 6099 B9R0.5 CCCN(C)CCCCO 2230a_100000747261_100000210776 [0,2,0,0,0,0|2,0,0]=4 6100 B9R0.5 CCCN(C)CCCCO 269982a_100000717598_100000210303 [0,2,0,0,0,0|2,0,0]=4 6101 B9R0.5 CCCN(C)CCCCO 269982a_100000747261_100000210776 [0,2,0,0,0,0|2,0,0]=4 6102 B9R0.5 CCCN(C)CCCOC 2230a_100000224831_100000210303 [0,2,0,0,0,0|2,0,0]=4 6103 B9R0.5 CCCN(C)CCCOC 2230a_100000747261_100000740836 [0,2,0,0,0,0|2,0,0]=4 6104 B9R0.5 CCCN(C)CCCOC 269982a_100000224831_100000210303 [0,2,0,0,0,0|2,0,0]=4 6105 B9R0.5 CCCN(C)CCCOC 269982a_100000747261_100000740836 [0,2,0,0,0,0|2,0,0]=4 6106 B9R0.5 CCCN(C)CCOCC 2230a_100000747261_100011215890 [0,2,0,0,0,0|2,0,0]=4 6107 B9R0.5 CCCN(C)CCOCC 269982a_100000747261_100011215890 [0,2,0,0,0,0|2,0,0]=4 6108 B9R0.5 CCCN(C)CCSCC 2230a_100000747261_100000757381 [0,2,0,0,0,0|2,0,0]=4 6109 B9R0.5 CCCN(C)CCSCC 269982a_100000747261_100000757381 [0,2,0,0,0,0|2,0,0]=4 6110 B9R0.5 CCCNCC(=O)NCC 2230a_100016988866_100000210303 [0,2,0,0,0,0|0,0,0]=2 6111 B9R0.5 CCCNCC(C)CCC 270004a_100020643023_100000243154 [0,2,0,0,0,0|1,0,1]=4 6112 B9R0.5 CCCNCC(O)COC 2230a_100000756049_100000210303 [0,2,0,0,0,0|0,0,2]=4 6113 B9R0.5 CCCNCC(O)COC 34a_100000756049_100000210303 [0,2,0,0,0,0|0,0,2]=4 6114 B9R0.5 CCCNN=C(C)CCC 4a_100000740057_100000211909 [0,2,0,0,0,0|2,0,0]=4 6115 B9R0.5 CCCNN=C(C)COC 4a_100000740057_100000749346 [0,2,0,0,0,0|2,0,0]=4 6116 B9R0.5 CCCNN=C(C)CSC 4a_100000740057_100011216314 [0,2,0,0,0,0|2,0,0]=4 6117 B9R0.5 CCCNNC(=O)CC#N 22a_100000740057_100051588842 [0,2,0,0,0,0|1,0,1]=4 6118 B9R0.5 CCCNNC(=O)CCC 22a_100000740057_100000211992 [0,2,0,0,0,0|1,0,0]=3 6119 B9R0.5 CCCNNC(=O)CCO 22a_100000740057_100011216618 [0,2,0,0,0,0|1,0,0]=3 6120 B9R0.5 CCCNNC(=O)COC 22a_100000740057_100000210968 [0,2,0,0,0,0|1,0,0]=3 6121 B9R0.5 CCCNNC(=O)CSC 22a_100000740057_100000184570 [0,2,0,0,0,0|1,0,0]=3 6122 B9R0.5 CCCNNC(=O)NCC 273464a_100015525214_100000740057 [0,2,0,0,0,0|1,0,0]=3 6123 B9R0.5 CCCNNC(=O)NCC 512a_100000740057_100015525214 [0,2,0,0,0,0|1,0,0]=3 6124 B9R0.5 CCCNNC(=O)NCC 512a_100015525214_100000740057 [0,2,0,0,0,0|1,0,0]=3 6125 B9R0.5 CCCNNC(=O)NNC 512a_100000740057_100016993582 [0,2,0,0,0,0|2,0,0]=4 6126 B9R0.5 CCCNNC(=O)NNC 512a_100016993582_100000740057 [0,2,0,0,0,0|2,0,0]=4 6127 B9R0.5 CCCOCC(=O)CC#N 1458a_100000745993_100011214920 [0,2,0,0,0,0|0,0,1]=3 6128 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [0,2,0,0,0,0|0,0,0]=2 6129 B9R0.5 CCCOCC(=O)CCF 1458a_100000745993_100011217306 [0,2,0,0,0,0|0,0,0]=2 6130 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [0,2,0,0,0,0|0,0,0]=2 6131 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [0,2,0,0,0,0|0,0,0]=2 6132 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [0,2,0,0,0,0|0,0,0]=2 6133 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [0,2,0,0,0,0|0,0,0]=2 6134 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [0,2,0,0,0,0|0,0,0]=2 6135 B9R0.5 CCCOCC(=O)NCO 34a_100000210258_100000185155 [0,2,0,0,0,0|1,0,0]=3 6136 B9R0.5 CCCOCC(=O)NNC 22a_100016993582_100000745993 [0,2,0,0,0,0|1,0,0]=3 6137 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [0,2,0,0,0,0|0,0,0]=2 6138 B9R0.5 CCCOCC(C)CCC 34a_100000210258_100011216630 [0,2,0,0,0,0|1,0,1]=4 6139 B9R0.5 CCCOCC(C)CCC 34a_100000688023_100000210303 [0,2,0,0,0,0|1,0,1]=4 6140 B9R0.5 CCCOCC(C)CCC 7a_100000688023_100000210303 [0,2,0,0,0,0|1,0,1]=4 6141 B9R0.5 CCCOCC(C)CCN 34a_106354213184_100000210303 [0,2,0,0,0,0|1,0,1]=4 6142 B9R0.5 CCCOCC(N)COC 34a_100000724102_100000210303 [0,2,0,0,0,0|1,0,1]=4 6143 B9R0.5 CCCOCC(O)COC 34a_100000210258_100011215053 [0,2,0,0,0,0|0,0,2]=4 6144 B9R0.5 CCCOC[C@@H](N)CCC 34a_100000732646_100000210303 [0,2,0,0,0,0|1,0,1]=4 6145 B9R0.5 CCCSCC(=O)CC#N 1458a_100000217233_100011214920 [0,2,0,0,0,0|0,0,1]=3 6146 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [0,2,0,0,0,0|0,0,0]=2 6147 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [0,2,0,0,0,0|0,0,0]=2 6148 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [0,2,0,0,0,0|0,0,0]=2 6149 B9R0.5 CCCSCC(=O)CCF 1458a_100000217233_100011217306 [0,2,0,0,0,0|0,0,0]=2 6150 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [0,2,0,0,0,0|0,0,0]=2 6151 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [0,2,0,0,0,0|0,0,0]=2 6152 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [0,2,0,0,0,0|0,0,0]=2 6153 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [0,2,0,0,0,0|0,0,0]=2 6154 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [0,2,0,0,0,0|0,0,0]=2 6155 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [0,2,0,0,0,0|0,0,0]=2 6156 B9R0.5 CCCSCC(=O)NCO 62a_100000185155_100000210303 [0,2,0,0,0,0|1,0,0]=3 6157 B9R0.5 CCCSCC(=O)NCO 62a_100000210303_100000185155 [0,2,0,0,0,0|1,0,0]=3 6158 B9R0.5 CCCSCC(=O)NNC 22a_100016993582_100000217233 [0,2,0,0,0,0|1,0,0]=3 6159 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [0,2,0,0,0,0|0,0,0]=2 6160 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [0,2,0,0,0,0|0,0,0]=2 6161 B9R0.5 CCCSCC(C)CCC 62a_100000210303_100011216630 [0,2,0,0,0,0|1,0,1]=4 6162 B9R0.5 CCCSCC(C)CCC 62a_100011216630_100000210303 [0,2,0,0,0,0|1,0,1]=4 6163 B9R0.5 CCCSCC(C)NCC 270004a_100015525214_100011343953 [0,2,0,0,0,0|1,0,1]=4 6164 B9R0.5 CCCSCC(O)COC 62a_100000210303_100011215053 [0,2,0,0,0,0|0,0,2]=4 6165 B9R0.5 CCCSCC(O)COC 62a_100011215053_100000210303 [0,2,0,0,0,0|0,0,2]=4 6166 B9R0.5 CCC[C@H](N)CCOCC 34a_100015193777_100000210202 [0,2,0,0,0,0|1,0,1]=4 6167 B9R0.5 CCNC(=O)C=CCOC 11a_100015525214_100016285016 [0,2,0,0,0,0|0,0,2]=4 6168 B9R0.5 CCNC(=O)C=CCOC 240690a_100015525214_100016285016 [0,2,0,0,0,0|0,0,2]=4 6169 B9R0.5 CCNC(=O)C=COCC 11a_100015525214_100016266692 [0,2,0,0,0,0|0,0,2]=4 6170 B9R0.5 CCNC(=O)C=COCC 240690a_100015525214_100016266692 [0,2,0,0,0,0|0,0,2]=4 6171 B9R0.5 CCNC(=O)CCCC#N 11a_100015525214_100000075515 [0,2,0,0,0,0|0,0,1]=3 6172 B9R0.5 CCNC(=O)CCCC#N 240690a_100015525214_100000075515 [0,2,0,0,0,0|0,0,1]=3 6173 B9R0.5 CCNC(=O)CCCC#N 527a_100015525214_100000075515 [0,2,0,0,0,0|0,0,1]=3 6174 B9R0.5 CCNC(=O)CCCOC 11a_100015525214_100000741012 [0,2,0,0,0,0|0,0,0]=2 6175 B9R0.5 CCNC(=O)CCCOC 240690a_100015525214_100000741012 [0,2,0,0,0,0|0,0,0]=2 6176 B9R0.5 CCNC(=O)CCCOC 527a_100015525214_100000741012 [0,2,0,0,0,0|0,0,0]=2 6177 B9R0.5 CCNC(=O)CCCSC 11a_100015525214_100000173376 [0,2,0,0,0,0|0,0,0]=2 6178 B9R0.5 CCNC(=O)CCCSC 240690a_100015525214_100000173376 [0,2,0,0,0,0|0,0,0]=2 6179 B9R0.5 CCNC(=O)CCCSC 527a_100015525214_100000173376 [0,2,0,0,0,0|0,0,0]=2 6180 B9R0.5 CCNC(=O)CCN=[N+]=[N-] 11a_100015525214_100000688302 [0,2,0,0,0,0|2,0,0]=4 6181 B9R0.5 CCNC(=O)CCN=[N+]=[N-] 240690a_100015525214_100000688302 [0,2,0,0,0,0|2,0,0]=4 6182 B9R0.5 CCNC(=O)CCNCF 34a_100025743525_100015361967 [0,2,0,0,0,0|1,0,0]=3 6183 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [0,2,0,0,0,0|0,0,0]=2 6184 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [0,2,0,0,0,0|0,0,0]=2 6185 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [0,2,0,0,0,0|0,0,0]=2 6186 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [0,2,0,0,0,0|0,0,0]=2 6187 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [0,2,0,0,0,0|0,0,0]=2 6188 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [0,2,0,0,0,0|0,0,0]=2 6189 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [0,2,0,0,0,0|0,0,0]=2 6190 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [0,2,0,0,0,0|0,0,0]=2 6191 B9R0.5 CCNC(=O)CCSCF 62a_100000737597_100015361967 [0,2,0,0,0,0|1,0,0]=3 6192 B9R0.5 CCNC(=O)CCSCF 62a_100015361967_100000737597 [0,2,0,0,0,0|1,0,0]=3 6193 B9R0.5 CCNC(=O)CNCC#N 2230a_100016988866_100011215382 [0,2,0,0,0,0|1,0,1]=4 6194 B9R0.5 CCNC(=O)CNCC=O 2230a_100016988866_200015260668 [0,2,0,0,0,0|1,0,1]=4 6195 B9R0.5 CCNC(=O)CNCCF 2230a_100016988866_100011217306 [0,2,0,0,0,0|1,0,0]=3 6196 B9R0.5 CCNC(=O)CNCCF 34a_100000724931_100000183381 [0,2,0,0,0,0|1,0,0]=3 6197 B9R0.5 CCNC(=O)CNCCO 2230a_100016988866_100000211926 [0,2,0,0,0,0|1,0,0]=3 6198 B9R0.5 CCNC(=O)CNCCO 2230a_100016997473_100000183381 [0,2,0,0,0,0|1,0,0]=3 6199 B9R0.5 CCNC(=O)CNCCO 34a_100016990907_100000183381 [0,2,0,0,0,0|1,0,0]=3 6200 B9R0.5 CCNC(=O)CNCOC 2230a_100016988866_100000766300 [0,2,0,0,0,0|1,0,0]=3 6201 B9R0.5 CCNC(=O)CNCSC 2230a_100016988866_100011218213 [0,2,0,0,0,0|1,0,0]=3 6202 B9R0.5 CCNC(=O)COCCBr 34a_100000211926_100000183381 [0,2,0,0,0,0|1,0,0]=3 6203 B9R0.5 CCNC(=O)COCCN 34a_100000210304_100000183381 [0,2,0,0,0,0|1,0,0]=3 6204 B9R0.5 CCNC(=O)COCCO 240690a_100015525214_100000708028 [0,2,0,0,0,0|1,0,0]=3 6205 B9R0.5 CCNC(=O)CSCC#N 11a_100015525214_100000150266 [0,2,0,0,0,0|1,0,1]=4 6206 B9R0.5 CCNC(=O)CSCC#N 240690a_100015525214_100000150266 [0,2,0,0,0,0|1,0,1]=4 6207 B9R0.5 CCNC(=O)CSCC#N 62a_100000183381_100011215382 [0,2,0,0,0,0|1,0,1]=4 6208 B9R0.5 CCNC(=O)CSCC#N 62a_100011215382_100000183381 [0,2,0,0,0,0|1,0,1]=4 6209 B9R0.5 CCNC(=O)CSCC=O 62a_100000183381_200015260668 [0,2,0,0,0,0|1,0,1]=4 6210 B9R0.5 CCNC(=O)CSCC=O 62a_200015260668_100000183381 [0,2,0,0,0,0|1,0,1]=4 6211 B9R0.5 CCNC(=O)CSCCF 62a_100000183381_100011217306 [0,2,0,0,0,0|1,0,0]=3 6212 B9R0.5 CCNC(=O)CSCCF 62a_100011217306_100000183381 [0,2,0,0,0,0|1,0,0]=3 6213 B9R0.5 CCNC(=O)CSCCO 62a_100000183381_100000211926 [0,2,0,0,0,0|1,0,0]=3 6214 B9R0.5 CCNC(=O)CSCCO 62a_100000211926_100000183381 [0,2,0,0,0,0|1,0,0]=3 6215 B9R0.5 CCNC(=O)CSCOC 62a_100000183381_100000766300 [0,2,0,0,0,0|1,0,0]=3 6216 B9R0.5 CCNC(=O)CSCOC 62a_100000766300_100000183381 [0,2,0,0,0,0|1,0,0]=3 6217 B9R0.5 CCNC(=O)CSCSC 62a_100000183381_100011218213 [0,2,0,0,0,0|1,0,0]=3 6218 B9R0.5 CCNC(=O)CSCSC 62a_100011218213_100000183381 [0,2,0,0,0,0|1,0,0]=3 6219 B9R0.5 CCNC(=O)NCCC#N 2708a_100000720768_100015525214 [0,2,0,0,0,0|1,0,1]=4 6220 B9R0.5 CCNC(=O)NCCC#N 2708a_100015525214_100000720768 [0,2,0,0,0,0|1,0,1]=4 6221 B9R0.5 CCNC(=O)NCCC#N 273464a_100000720768_100015525214 [0,2,0,0,0,0|1,0,1]=4 6222 B9R0.5 CCNC(=O)NCCC#N 273464a_100015525214_100000720768 [0,2,0,0,0,0|1,0,1]=4 6223 B9R0.5 CCNC(=O)NCCC#N 512a_100000720768_100015525214 [0,2,0,0,0,0|1,0,1]=4 6224 B9R0.5 CCNC(=O)NCCC#N 512a_100015525214_100000720768 [0,2,0,0,0,0|1,0,1]=4 6225 B9R0.5 CCNC(=O)NCCCF 2708a_100015189416_100015525214 [0,2,0,0,0,0|1,0,0]=3 6226 B9R0.5 CCNC(=O)NCCCF 2708a_100015525214_100015189416 [0,2,0,0,0,0|1,0,0]=3 6227 B9R0.5 CCNC(=O)NCCCF 273464a_100015189416_100015525214 [0,2,0,0,0,0|1,0,0]=3 6228 B9R0.5 CCNC(=O)NCCCF 273464a_100015525214_100015189416 [0,2,0,0,0,0|1,0,0]=3 6229 B9R0.5 CCNC(=O)NCCCF 512a_100015189416_100015525214 [0,2,0,0,0,0|1,0,0]=3 6230 B9R0.5 CCNC(=O)NCCCF 512a_100015525214_100015189416 [0,2,0,0,0,0|1,0,0]=3 6231 B9R0.5 CCNC(=O)NCCCO 2708a_100015525214_100000182051 [0,2,0,0,0,0|1,0,0]=3 6232 B9R0.5 CCNC(=O)NCCCO 273464a_100000182051_100015525214 [0,2,0,0,0,0|1,0,0]=3 6233 B9R0.5 CCNC(=O)NCCCO 273464a_100015525214_100000182051 [0,2,0,0,0,0|1,0,0]=3 6234 B9R0.5 CCNC(=O)NCCCO 512a_100015525214_100000182051 [0,2,0,0,0,0|1,0,0]=3 6235 B9R0.5 CCNC(=O)NCCOC 2708a_100015525214_100000209980 [0,2,0,0,0,0|1,0,0]=3 6236 B9R0.5 CCNC(=O)NCCOC 273464a_100000209980_100015525214 [0,2,0,0,0,0|1,0,0]=3 6237 B9R0.5 CCNC(=O)NCCOC 273464a_100015525214_100000209980 [0,2,0,0,0,0|1,0,0]=3 6238 B9R0.5 CCNC(=O)NCCSC 2708a_100015525214_100020590264 [0,2,0,0,0,0|1,0,0]=3 6239 B9R0.5 CCNC(=O)NCCSC 2708a_100020590264_100015525214 [0,2,0,0,0,0|1,0,0]=3 6240 B9R0.5 CCNC(=O)NCCSC 273464a_100015525214_100020590264 [0,2,0,0,0,0|1,0,0]=3 6241 B9R0.5 CCNC(=O)NCCSC 273464a_100020590264_100015525214 [0,2,0,0,0,0|1,0,0]=3 6242 B9R0.5 CCNC(=O)NCCSC 512a_100015525214_100020590264 [0,2,0,0,0,0|1,0,0]=3 6243 B9R0.5 CCNC(=O)NCCSC 512a_100020590264_100015525214 [0,2,0,0,0,0|1,0,0]=3 6244 B9R0.5 CCNC(=O)NNCCO 273464a_100015525214_100000210001 [0,2,0,0,0,0|2,0,0]=4 6245 B9R0.5 CCNC(=O)NNCCO 512a_100015525214_100000210001 [0,2,0,0,0,0|2,0,0]=4 6246 B9R0.5 CCNC(C)CCCSC 270004a_100015525214_100011399439 [0,2,0,0,0,0|1,0,1]=4 6247 B9R0.5 CCNC(C)CCOCC 270004a_100015525214_200011216536 [0,2,0,0,0,0|1,0,1]=4 6248 B9R0.5 CCNCCC(=O)NCC 2230a_100015525214_100000737597 [0,2,0,0,0,0|0,0,0]=2 6249 B9R0.5 CCNCCC(=O)NCC 34a_100025743525_100000210202 [0,2,0,0,0,0|0,0,0]=2 6250 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [0,2,0,0,0,0|0,0,0]=2 6251 B9R0.5 CCNN=CC(=O)OCC 4a_100000756455_100000742314 [0,2,0,0,0,0|1,0,1]=4 6252 B9R0.5 CCOC(=O)/C=C/CNC 2230a_106832991635_100016267167 [0,2,0,0,0,0|0,0,2]=4 6253 B9R0.5 CCOC(=O)/C=C/CNC 34a_100102657272_100016267167 [0,2,0,0,0,0|0,0,2]=4 6254 B9R0.5 CCOC(=O)/C=C/CNC 7a_106832991635_100016267167 [0,2,0,0,0,0|0,0,2]=4 6255 B9R0.5 CCOC(=O)/C=C/COC 34a_100138415774_100016267167 [0,2,0,0,0,0|0,0,2]=4 6256 B9R0.5 CCOC(=O)/C=C/CSC 62a_100016267167_200000210301 [0,2,0,0,0,0|0,0,2]=4 6257 B9R0.5 CCOC(=O)/C=C/CSC 62a_200000210301_100016267167 [0,2,0,0,0,0|0,0,2]=4 6258 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_100016267167_200025704644 [0,2,0,0,0,0|0,0,2]=4 6259 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_200025704644_100016267167 [0,2,0,0,0,0|0,0,2]=4 6260 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [0,2,0,0,0,0|0,0,0]=2 6261 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [0,2,0,0,0,0|0,0,0]=2 6262 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [0,2,0,0,0,0|0,0,0]=2 6263 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [0,2,0,0,0,0|0,0,0]=2 6264 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [0,2,0,0,0,0|0,0,0]=2 6265 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [0,2,0,0,0,0|0,0,0]=2 6266 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [0,2,0,0,0,0|0,0,0]=2 6267 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [0,2,0,0,0,0|0,0,0]=2 6268 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [0,2,0,0,0,0|0,0,0]=2 6269 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [0,2,0,0,0,0|0,0,0]=2 6270 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [0,2,0,0,0,0|0,0,0]=2 6271 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [0,2,0,0,0,0|0,0,0]=2 6272 B9R0.5 CCOC(=O)CCSCF 62a_100000765890_100015361967 [0,2,0,0,0,0|1,0,0]=3 6273 B9R0.5 CCOC(=O)CCSCF 62a_100015361967_100000765890 [0,2,0,0,0,0|1,0,0]=3 6274 B9R0.5 CCOC(=O)CNCCF 34a_100000724931_100000188475 [0,2,0,0,0,0|1,0,0]=3 6275 B9R0.5 CCOC(=O)CNCCO 2230a_100016997473_100000188475 [0,2,0,0,0,0|1,0,0]=3 6276 B9R0.5 CCOC(=O)CNCCO 34a_100016990907_100000188475 [0,2,0,0,0,0|1,0,0]=3 6277 B9R0.5 CCOC(=O)COCCBr 34a_100000211926_100000188475 [0,2,0,0,0,0|1,0,0]=3 6278 B9R0.5 CCOC(=O)COCCN 34a_100000210304_100000188475 [0,2,0,0,0,0|1,0,0]=3 6279 B9R0.5 CCOC(=O)CSCC#N 62a_100000188475_100011215382 [0,2,0,0,0,0|1,0,1]=4 6280 B9R0.5 CCOC(=O)CSCC#N 62a_100011215382_100000188475 [0,2,0,0,0,0|1,0,1]=4 6281 B9R0.5 CCOC(=O)CSCC=O 62a_100000188475_200015260668 [0,2,0,0,0,0|1,0,1]=4 6282 B9R0.5 CCOC(=O)CSCC=O 62a_200015260668_100000188475 [0,2,0,0,0,0|1,0,1]=4 6283 B9R0.5 CCOC(=O)CSCCF 62a_100000188475_100011217306 [0,2,0,0,0,0|1,0,0]=3 6284 B9R0.5 CCOC(=O)CSCCF 62a_100011217306_100000188475 [0,2,0,0,0,0|1,0,0]=3 6285 B9R0.5 CCOC(=O)CSCCO 62a_100000188475_100000211926 [0,2,0,0,0,0|1,0,0]=3 6286 B9R0.5 CCOC(=O)CSCCO 62a_100000211926_100000188475 [0,2,0,0,0,0|1,0,0]=3 6287 B9R0.5 CCOC(=O)CSCOC 62a_100000188475_100000766300 [0,2,0,0,0,0|1,0,0]=3 6288 B9R0.5 CCOC(=O)CSCOC 62a_100000766300_100000188475 [0,2,0,0,0,0|1,0,0]=3 6289 B9R0.5 CCOC(=O)CSCSC 62a_100000188475_100011218213 [0,2,0,0,0,0|1,0,0]=3 6290 B9R0.5 CCOC(=O)CSCSC 62a_100011218213_100000188475 [0,2,0,0,0,0|1,0,0]=3 6291 B9R0.5 CCOC(=O)NCCNC 7a_106832991635_200011445536 [0,2,0,0,0,0|1,0,0]=3 6292 B9R0.5 CCOC(=O)NCCOC 34a_100000158857_200000210301 [0,2,0,0,0,0|1,0,0]=3 6293 B9R0.5 CCOC(=O)NCCO[13CH3] 34a_100000158857_200025704644 [0,2,0,0,0,0|1,0,0]=3 6294 B9R0.5 CCOC(=O)NCCSC 62a_200000210301_200011445536 [0,2,0,0,0,0|1,0,0]=3 6295 B9R0.5 CCOC(=O)NCCS[13CH3] 62a_200025704644_200011445536 [0,2,0,0,0,0|1,0,0]=3 6296 B9R0.5 CCOC(=O)OCSCC 62a_100000210202_100000075025 [0,2,0,0,0,0|1,0,0]=3 6297 B9R0.5 CCOC(=O)OCSCF 62a_100015361967_100000075025 [0,2,0,0,0,0|2,0,0]=4 6298 B9R0.5 CCOC(C)CCCOC 34a_200011539412_100000210202 [0,2,0,0,0,0|1,0,1]=4 6299 B9R0.5 CCOC(C)CCCOC 7a_200011539412_100000210202 [0,2,0,0,0,0|1,0,1]=4 6300 B9R0.5 CCOC=CC(=O)CCF 1458a_100016266692_100011217306 [0,2,0,0,0,0|0,0,2]=4 6301 B9R0.5 CCOC=CC(=O)CCO 1458a_100016266692_100000211926 [0,2,0,0,0,0|0,0,2]=4 6302 B9R0.5 CCOCCC(=O)C=CBr 1458a_100016273825_100011215890 [0,2,0,0,0,0|0,0,2]=4 6303 B9R0.5 CCOCCC(=O)C=CCl 1458a_200016279998_100011215890 [0,2,0,0,0,0|0,0,2]=4 6304 B9R0.5 CCOCCC(=O)C=CI 1458a_100016256311_100011215890 [0,2,0,0,0,0|0,0,2]=4 6305 B9R0.5 CCOCCC(=O)CC#N 1458a_100000749530_100011214920 [0,2,0,0,0,0|0,0,1]=3 6306 B9R0.5 CCOCCC(=O)CC#N 1458a_100051588842_100011215890 [0,2,0,0,0,0|0,0,1]=3 6307 B9R0.5 CCOCCC(=O)CCF 1458a_100000749530_100011217306 [0,2,0,0,0,0|0,0,0]=2 6308 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [0,2,0,0,0,0|0,0,0]=2 6309 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [0,2,0,0,0,0|0,0,0]=2 6310 B9R0.5 CCOCCC(=O)COC 1458a_100000210968_100011215890 [0,2,0,0,0,0|0,0,0]=2 6311 B9R0.5 CCOCCC(=O)CSC 1458a_100000184570_100011215890 [0,2,0,0,0,0|0,0,0]=2 6312 B9R0.5 CCOCCC(=O)NNC 22a_100016993582_100000749530 [0,2,0,0,0,0|1,0,0]=3 6313 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [0,2,0,0,0,0|0,0,0]=2 6314 B9R0.5 CCOCCN(C)CCO 2230a_100000210263_100011215890 [0,2,0,0,0,0|2,0,0]=4 6315 B9R0.5 CCOCCN(C)CCO 269982a_100000210263_100011215890 [0,2,0,0,0,0|2,0,0]=4 6316 B9R0.5 CCSCCC(=O)C=CBr 1458a_100016273825_100000757381 [0,2,0,0,0,0|0,0,2]=4 6317 B9R0.5 CCSCCC(=O)C=CCl 1458a_200016279998_100000757381 [0,2,0,0,0,0|0,0,2]=4 6318 B9R0.5 CCSCCC(=O)C=CI 1458a_100016256311_100000757381 [0,2,0,0,0,0|0,0,2]=4 6319 B9R0.5 CCSCCC(=O)CC#N 1458a_100000230768_100011214920 [0,2,0,0,0,0|0,0,1]=3 6320 B9R0.5 CCSCCC(=O)CC#N 1458a_100051588842_100000757381 [0,2,0,0,0,0|0,0,1]=3 6321 B9R0.5 CCSCCC(=O)CCF 1458a_100000230768_100011217306 [0,2,0,0,0,0|0,0,0]=2 6322 B9R0.5 CCSCCC(=O)CCO 1458a_100000230768_100000211926 [0,2,0,0,0,0|0,0,0]=2 6323 B9R0.5 CCSCCC(=O)CCO 1458a_100011216618_100000757381 [0,2,0,0,0,0|0,0,0]=2 6324 B9R0.5 CCSCCC(=O)COC 1458a_100000210968_100000757381 [0,2,0,0,0,0|0,0,0]=2 6325 B9R0.5 CCSCCC(=O)CSC 1458a_100000184570_100000757381 [0,2,0,0,0,0|0,0,0]=2 6326 B9R0.5 CCSCCC(=O)NNC 22a_100016993582_100000230768 [0,2,0,0,0,0|1,0,0]=3 6327 B9R0.5 CCSCCN(C)CCO 2230a_100000210263_100000757381 [0,2,0,0,0,0|2,0,0]=4 6328 B9R0.5 CCSCCN(C)CCO 269982a_100000210263_100000757381 [0,2,0,0,0,0|2,0,0]=4 6329 B9R0.5 CN(CCF)CCCCO 2230a_100000717598_100011217306 [0,2,0,0,0,0|2,0,0]=4 6330 B9R0.5 CN(CCF)CCCCO 269982a_100000717598_100011217306 [0,2,0,0,0,0|2,0,0]=4 6331 B9R0.5 CN(CCO)CCCCF 2230a_100000210263_100000729493 [0,2,0,0,0,0|2,0,0]=4 6332 B9R0.5 CN(CCO)CCCCF 269982a_100000210263_100000729493 [0,2,0,0,0,0|2,0,0]=4 6333 B9R0.5 CN(CCO)CCCCO 2230a_100000210263_100000210776 [0,2,0,0,0,0|2,0,0]=4 6334 B9R0.5 CN(CCO)CCCCO 2230a_100000717598_100000211926 [0,2,0,0,0,0|2,0,0]=4 6335 B9R0.5 CN(CCO)CCCCO 269982a_100000210263_100000210776 [0,2,0,0,0,0|2,0,0]=4 6336 B9R0.5 CN(CCO)CCCCO 269982a_100000717598_100000211926 [0,2,0,0,0,0|2,0,0]=4 6337 B9R0.5 CNCC(=O)NCCOC 2230a_100000754632_200000210301 [0,2,0,0,0,0|1,0,0]=3 6338 B9R0.5 CNCC(=O)NCCOC 2230a_106832991635_100000183275 [0,2,0,0,0,0|1,0,0]=3 6339 B9R0.5 CNCC(=O)NCCOC 34a_100102657272_100000183275 [0,2,0,0,0,0|1,0,0]=3 6340 B9R0.5 CNCC(=O)NCCOC 7a_106832991635_100000183275 [0,2,0,0,0,0|1,0,0]=3 6341 B9R0.5 CNCC(=O)OCCOC 2230a_106832991635_200000040189 [0,2,0,0,0,0|1,0,0]=3 6342 B9R0.5 CNCC(=O)OCCOC 34a_100102657272_200000040189 [0,2,0,0,0,0|1,0,0]=3 6343 B9R0.5 CNCC(=O)OCCOC 7a_106832991635_200000040189 [0,2,0,0,0,0|1,0,0]=3 6344 B9R0.5 CNNC(=O)CCCC#N 22a_100016993582_100000075515 [0,2,0,0,0,0|1,0,1]=4 6345 B9R0.5 CNNC(=O)CCCOC 22a_100016993582_100000741012 [0,2,0,0,0,0|1,0,0]=3 6346 B9R0.5 CNNC(=O)CCCSC 22a_100016993582_100000173376 [0,2,0,0,0,0|1,0,0]=3 6347 B9R0.5 CNNC(=O)NCCCF 273464a_100015189416_100016993582 [0,2,0,0,0,0|2,0,0]=4 6348 B9R0.5 CNNC(=O)NCCCF 512a_100015189416_100016993582 [0,2,0,0,0,0|2,0,0]=4 6349 B9R0.5 CNNC(=O)NCCCF 512a_100016993582_100015189416 [0,2,0,0,0,0|2,0,0]=4 6350 B9R0.5 CNNC(=O)NCCCO 273464a_100000182051_100016993582 [0,2,0,0,0,0|2,0,0]=4 6351 B9R0.5 CNNC(=O)NCCCO 512a_100016993582_100000182051 [0,2,0,0,0,0|2,0,0]=4 6352 B9R0.5 CNNC(=O)NCCOC 273464a_100000209980_100016993582 [0,2,0,0,0,0|2,0,0]=4 6353 B9R0.5 CNNC(=O)NCCSC 273464a_100020590264_100016993582 [0,2,0,0,0,0|2,0,0]=4 6354 B9R0.5 CNNC(=O)NCCSC 512a_100016993582_100020590264 [0,2,0,0,0,0|2,0,0]=4 6355 B9R0.5 CNNC(=O)NCCSC 512a_100020590264_100016993582 [0,2,0,0,0,0|2,0,0]=4 6356 B9R0.5 COCC(=O)CC#CCO 1458a_100000210968_200000047223 [0,2,0,0,0,0|0,0,2]=4 6357 B9R0.5 COCC(=O)CCCC#N 1458a_100000210968_100000211468 [0,2,0,0,0,0|0,0,1]=3 6358 B9R0.5 COCC(=O)CCCCF 1458a_100000210968_100000729493 [0,2,0,0,0,0|0,0,0]=2 6359 B9R0.5 COCC(=O)CCCCO 1458a_100000210968_100000210776 [0,2,0,0,0,0|0,0,0]=2 6360 B9R0.5 COCC(=O)NCCC#N 11a_100000720768_100000210968 [0,2,0,0,0,0|1,0,1]=4 6361 B9R0.5 COCC(=O)NCCC#N 1626a_100000720768_100000210968 [0,2,0,0,0,0|1,0,1]=4 6362 B9R0.5 COCC(=O)NCCC#N 240690a_100000720768_100000210968 [0,2,0,0,0,0|1,0,1]=4 6363 B9R0.5 COCC(=O)NCCC#N 527a_100000720768_100000210968 [0,2,0,0,0,0|1,0,1]=4 6364 B9R0.5 COCC(=O)NCCCF 11a_100015189416_100000210968 [0,2,0,0,0,0|1,0,0]=3 6365 B9R0.5 COCC(=O)NCCCF 1626a_100015189416_100000210968 [0,2,0,0,0,0|1,0,0]=3 6366 B9R0.5 COCC(=O)NCCCF 240690a_100015189416_100000210968 [0,2,0,0,0,0|1,0,0]=3 6367 B9R0.5 COCC(=O)NCCCF 527a_100015189416_100000210968 [0,2,0,0,0,0|1,0,0]=3 6368 B9R0.5 COCC(=O)NCCCO 240690a_100000182051_100000210968 [0,2,0,0,0,0|1,0,0]=3 6369 B9R0.5 COCC(=O)NCCCO 527a_100000182051_100000210968 [0,2,0,0,0,0|1,0,0]=3 6370 B9R0.5 COCC(=O)NCCSC 11a_100020590264_100000210968 [0,2,0,0,0,0|1,0,0]=3 6371 B9R0.5 COCC(=O)NCCSC 1626a_100020590264_100000210968 [0,2,0,0,0,0|1,0,0]=3 6372 B9R0.5 COCC(=O)NCCSC 240690a_100020590264_100000210968 [0,2,0,0,0,0|1,0,0]=3 6373 B9R0.5 COCC(=O)NCCSC 527a_100020590264_100000210968 [0,2,0,0,0,0|1,0,0]=3 6374 B9R0.5 COCC(=O)NNCCO 22a_100000210001_100000210968 [0,2,0,0,0,0|2,0,0]=4 6375 B9R0.5 COCC=CC(=O)CCF 1458a_100016285016_100011217306 [0,2,0,0,0,0|0,0,2]=4 6376 B9R0.5 COCC=CC(=O)CCO 1458a_100016285016_100000211926 [0,2,0,0,0,0|0,0,2]=4 6377 B9R0.5 COCCCC(=O)C=CBr 1458a_100016273825_100000740836 [0,2,0,0,0,0|0,0,2]=4 6378 B9R0.5 COCCCC(=O)C=CCl 1458a_200016279998_100000740836 [0,2,0,0,0,0|0,0,2]=4 6379 B9R0.5 COCCCC(=O)C=CI 1458a_100016256311_100000740836 [0,2,0,0,0,0|0,0,2]=4 6380 B9R0.5 COCCCC(=O)CC#N 1458a_100000741012_100011214920 [0,2,0,0,0,0|0,0,1]=3 6381 B9R0.5 COCCCC(=O)CC#N 1458a_100051588842_100000740836 [0,2,0,0,0,0|0,0,1]=3 6382 B9R0.5 COCCCC(=O)CCF 1458a_100000741012_100011217306 [0,2,0,0,0,0|0,0,0]=2 6383 B9R0.5 COCCCC(=O)CCO 1458a_100000741012_100000211926 [0,2,0,0,0,0|0,0,0]=2 6384 B9R0.5 COCCCC(=O)CCO 1458a_100011216618_100000740836 [0,2,0,0,0,0|0,0,0]=2 6385 B9R0.5 COCCCC(=O)COC 1458a_100000210968_100000740836 [0,2,0,0,0,0|0,0,0]=2 6386 B9R0.5 COCCCC(=O)CSC 1458a_100000184570_100000740836 [0,2,0,0,0,0|0,0,0]=2 6387 B9R0.5 COCCCN(C)CCF 2230a_100000224831_100011217306 [0,2,0,0,0,0|2,0,0]=4 6388 B9R0.5 COCCCN(C)CCF 269982a_100000224831_100011217306 [0,2,0,0,0,0|2,0,0]=4 6389 B9R0.5 COCCCN(C)CCO 2230a_100000210263_100000740836 [0,2,0,0,0,0|2,0,0]=4 6390 B9R0.5 COCCCN(C)CCO 2230a_100000224831_100000211926 [0,2,0,0,0,0|2,0,0]=4 6391 B9R0.5 COCCCN(C)CCO 269982a_100000210263_100000740836 [0,2,0,0,0,0|2,0,0]=4 6392 B9R0.5 COCCCN(C)CCO 269982a_100000224831_100000211926 [0,2,0,0,0,0|2,0,0]=4 6393 B9R0.5 COCCCN(C)COC 2230a_100000224831_100000766300 [0,2,0,0,0,0|2,0,0]=4 6394 B9R0.5 COCCCN(C)COC 269982a_100000224831_100000766300 [0,2,0,0,0,0|2,0,0]=4 6395 B9R0.5 COCCCN(C)CSC 2230a_100000224831_100011218213 [0,2,0,0,0,0|2,0,0]=4 6396 B9R0.5 COCCCN(C)CSC 269982a_100000224831_100011218213 [0,2,0,0,0,0|2,0,0]=4 6397 B9R0.5 COCCNC(=O)CC#N 1626a_100000209980_100051588842 [0,2,0,0,0,0|1,0,1]=4 6398 B9R0.5 COCCNC(=O)CC#N 240690a_100000209980_100051588842 [0,2,0,0,0,0|1,0,1]=4 6399 B9R0.5 COCCNC(=O)CCO 240690a_100000209980_100011216618 [0,2,0,0,0,0|1,0,0]=3 6400 B9R0.5 COCCNC(=O)CN[13CH3] 2230a_100000754632_200025704644 [0,2,0,0,0,0|1,0,0]=3 6401 B9R0.5 COCCNC(=O)COC 1626a_100000209980_100000210968 [0,2,0,0,0,0|1,0,0]=3 6402 B9R0.5 COCCNC(=O)COC 240690a_100000209980_100000210968 [0,2,0,0,0,0|1,0,0]=3 6403 B9R0.5 COCCNC(=O)COC 34a_100138415774_100000183275 [0,2,0,0,0,0|1,0,0]=3 6404 B9R0.5 COCCNC(=O)COC 527a_100000209980_100000210968 [0,2,0,0,0,0|1,0,0]=3 6405 B9R0.5 COCCNC(=O)CSC 1626a_100000209980_100000184570 [0,2,0,0,0,0|1,0,0]=3 6406 B9R0.5 COCCNC(=O)CSC 240690a_100000209980_100000184570 [0,2,0,0,0,0|1,0,0]=3 6407 B9R0.5 COCCNC(=O)CSC 527a_100000209980_100000184570 [0,2,0,0,0,0|1,0,0]=3 6408 B9R0.5 COCCNC(=O)CSC 62a_100000183275_200000210301 [0,2,0,0,0,0|1,0,0]=3 6409 B9R0.5 COCCNC(=O)CSC 62a_200000210301_100000183275 [0,2,0,0,0,0|1,0,0]=3 6410 B9R0.5 COCCNC(=O)CS[13CH3] 62a_100000183275_200025704644 [0,2,0,0,0,0|1,0,0]=3 6411 B9R0.5 COCCNC(=O)CS[13CH3] 62a_200025704644_100000183275 [0,2,0,0,0,0|1,0,0]=3 6412 B9R0.5 COCCOC(=O)COC 34a_100138415774_200000040189 [0,2,0,0,0,0|1,0,0]=3 6413 B9R0.5 COCCOC(=O)CSC 62a_200000040189_200000210301 [0,2,0,0,0,0|1,0,0]=3 6414 B9R0.5 COCCOC(=O)CSC 62a_200000210301_200000040189 [0,2,0,0,0,0|1,0,0]=3 6415 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200000040189_200025704644 [0,2,0,0,0,0|1,0,0]=3 6416 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200025704644_200000040189 [0,2,0,0,0,0|1,0,0]=3 6417 B9R0.5 COCN(C)CCCCO 2230a_100000717598_100000766300 [0,2,0,0,0,0|2,0,0]=4 6418 B9R0.5 COCN(C)CCCCO 269982a_100000717598_100000766300 [0,2,0,0,0,0|2,0,0]=4 6419 B9R0.5 COCSCC(=O)NCO 62a_100000185155_100000766300 [0,2,0,0,0,0|2,0,0]=4 6420 B9R0.5 COCSCC(=O)NCO 62a_100000766300_100000185155 [0,2,0,0,0,0|2,0,0]=4 6421 B9R0.5 COC[C@@H](N)CCCCN 34a_100016993712_200000210301 [0,2,0,0,0,0|1,0,1]=4 6422 B9R0.5 CSCC(=O)CC#CCO 1458a_100000184570_200000047223 [0,2,0,0,0,0|0,0,2]=4 6423 B9R0.5 CSCC(=O)CCCC#N 1458a_100000184570_100000211468 [0,2,0,0,0,0|0,0,1]=3 6424 B9R0.5 CSCC(=O)CCCCF 1458a_100000184570_100000729493 [0,2,0,0,0,0|0,0,0]=2 6425 B9R0.5 CSCC(=O)CCCCO 1458a_100000184570_100000210776 [0,2,0,0,0,0|0,0,0]=2 6426 B9R0.5 CSCC(=O)NCCC#N 11a_100000720768_100000184570 [0,2,0,0,0,0|1,0,1]=4 6427 B9R0.5 CSCC(=O)NCCC#N 1626a_100000720768_100000184570 [0,2,0,0,0,0|1,0,1]=4 6428 B9R0.5 CSCC(=O)NCCC#N 240690a_100000720768_100000184570 [0,2,0,0,0,0|1,0,1]=4 6429 B9R0.5 CSCC(=O)NCCC#N 527a_100000720768_100000184570 [0,2,0,0,0,0|1,0,1]=4 6430 B9R0.5 CSCC(=O)NCCCF 11a_100015189416_100000184570 [0,2,0,0,0,0|1,0,0]=3 6431 B9R0.5 CSCC(=O)NCCCF 1626a_100015189416_100000184570 [0,2,0,0,0,0|1,0,0]=3 6432 B9R0.5 CSCC(=O)NCCCF 240690a_100015189416_100000184570 [0,2,0,0,0,0|1,0,0]=3 6433 B9R0.5 CSCC(=O)NCCCF 527a_100015189416_100000184570 [0,2,0,0,0,0|1,0,0]=3 6434 B9R0.5 CSCC(=O)NCCCO 240690a_100000182051_100000184570 [0,2,0,0,0,0|1,0,0]=3 6435 B9R0.5 CSCC(=O)NCCCO 527a_100000182051_100000184570 [0,2,0,0,0,0|1,0,0]=3 6436 B9R0.5 CSCC(=O)NNCCO 22a_100000210001_100000184570 [0,2,0,0,0,0|2,0,0]=4 6437 B9R0.5 CSCCCC(=O)CC#N 1458a_100000173376_100011214920 [0,2,0,0,0,0|0,0,1]=3 6438 B9R0.5 CSCCCC(=O)CCF 1458a_100000173376_100011217306 [0,2,0,0,0,0|0,0,0]=2 6439 B9R0.5 CSCCCC(=O)CCO 1458a_100000173376_100000211926 [0,2,0,0,0,0|0,0,0]=2 6440 B9R0.5 CSCCNC(=O)CC#N 1626a_100020590264_100051588842 [0,2,0,0,0,0|1,0,1]=4 6441 B9R0.5 CSCCNC(=O)CC#N 240690a_100020590264_100051588842 [0,2,0,0,0,0|1,0,1]=4 6442 B9R0.5 CSCCNC(=O)CCO 240690a_100020590264_100011216618 [0,2,0,0,0,0|1,0,0]=3 6443 B9R0.5 CSCCNC(=O)CSC 11a_100020590264_100000184570 [0,2,0,0,0,0|1,0,0]=3 6444 B9R0.5 CSCCNC(=O)CSC 1626a_100020590264_100000184570 [0,2,0,0,0,0|1,0,0]=3 6445 B9R0.5 CSCCNC(=O)CSC 240690a_100020590264_100000184570 [0,2,0,0,0,0|1,0,0]=3 6446 B9R0.5 CSCCNC(=O)CSC 527a_100020590264_100000184570 [0,2,0,0,0,0|1,0,0]=3 6447 B9R0.5 CSCN(C)CCCCO 2230a_100000717598_100011218213 [0,2,0,0,0,0|2,0,0]=4 6448 B9R0.5 CSCN(C)CCCCO 269982a_100000717598_100011218213 [0,2,0,0,0,0|2,0,0]=4 6449 B9R0.5 CSCSCC(=O)NCO 62a_100000185155_100011218213 [0,2,0,0,0,0|2,0,0]=4 6450 B9R0.5 CSCSCC(=O)NCO 62a_100011218213_100000185155 [0,2,0,0,0,0|2,0,0]=4 6451 B9R0.5 N#CCC(=O)CCCCF 1458a_100051588842_100000729493 [0,2,0,0,0,0|0,0,1]=3 6452 B9R0.5 N#CCC(=O)CCCCO 1458a_100000695505_100011214920 [0,2,0,0,0,0|0,0,1]=3 6453 B9R0.5 N#CCC(=O)CCCCO 1458a_100051588842_100000210776 [0,2,0,0,0,0|0,0,1]=3 6454 B9R0.5 N#CCC(=O)COCCO 1458a_100000708028_100011214920 [0,2,0,0,0,0|1,0,1]=4 6455 B9R0.5 N#CCC(=O)NCCCF 1626a_100015189416_100051588842 [0,2,0,0,0,0|1,0,1]=4 6456 B9R0.5 N#CCC(=O)NCCCF 240690a_100015189416_100051588842 [0,2,0,0,0,0|1,0,1]=4 6457 B9R0.5 N#CCC(=O)NCCCO 240690a_100000182051_100051588842 [0,2,0,0,0,0|1,0,1]=4 6458 B9R0.5 N#CCCCC(=O)CC#N 1458a_100000075515_100011214920 [0,2,0,0,0,0|0,0,2]=4 6459 B9R0.5 N#CCCCC(=O)CC#N 1458a_100051588842_100000211468 [0,2,0,0,0,0|0,0,2]=4 6460 B9R0.5 N#CCCCC(=O)CCF 1458a_100000075515_100011217306 [0,2,0,0,0,0|0,0,1]=3 6461 B9R0.5 N#CCCCC(=O)CCO 1458a_100000075515_100000211926 [0,2,0,0,0,0|0,0,1]=3 6462 B9R0.5 N#CCCCC(=O)CCO 1458a_100011216618_100000211468 [0,2,0,0,0,0|0,0,1]=3 6463 B9R0.5 N#CCCNC(=O)CCO 240690a_100000720768_100011216618 [0,2,0,0,0,0|1,0,1]=4 6464 B9R0.5 N#CCSCC(=O)CCF 1458a_100000150266_100011217306 [0,2,0,0,0,0|1,0,1]=4 6465 B9R0.5 N#CCSCC(=O)CCO 1458a_100000150266_100000211926 [0,2,0,0,0,0|1,0,1]=4 6466 B9R0.5 NCCOCC(=O)NCO 34a_100000210304_100000185155 [0,2,0,0,0,0|2,0,0]=4 6467 B9R0.5 O=C(C=CBr)CCCCF 1458a_100016273825_100000729493 [0,2,0,0,0,0|0,0,2]=4 6468 B9R0.5 O=C(C=CBr)CCCCO 1458a_100016273825_100000210776 [0,2,0,0,0,0|0,0,2]=4 6469 B9R0.5 O=C(C=CCl)CCCCF 1458a_200016279998_100000729493 [0,2,0,0,0,0|0,0,2]=4 6470 B9R0.5 O=C(C=CCl)CCCCO 1458a_200016279998_100000210776 [0,2,0,0,0,0|0,0,2]=4 6471 B9R0.5 O=C(C=CI)CCCCF 1458a_100016256311_100000729493 [0,2,0,0,0,0|0,0,2]=4 6472 B9R0.5 O=C(C=CI)CCCCO 1458a_100016256311_100000210776 [0,2,0,0,0,0|0,0,2]=4 6473 B9R0.5 O=C(CC#CCO)CCO 1458a_100011216618_200000047223 [0,2,0,0,0,0|0,0,2]=4 6474 B9R0.5 O=C(CCF)CCCCO 1458a_100000695505_100011217306 [0,2,0,0,0,0|0,0,0]=2 6475 B9R0.5 O=C(CCF)COCCO 1458a_100000708028_100011217306 [0,2,0,0,0,0|1,0,0]=3 6476 B9R0.5 O=C(CCO)CCCCF 1458a_100011216618_100000729493 [0,2,0,0,0,0|0,0,0]=2 6477 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [0,2,0,0,0,0|0,0,0]=2 6478 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [0,2,0,0,0,0|0,0,0]=2 6479 B9R0.5 O=C(CCO)COCCO 1458a_100000708028_100000211926 [0,2,0,0,0,0|1,0,0]=3 6480 B9R0.5 O=C(CCO)NCCCF 240690a_100015189416_100011216618 [0,2,0,0,0,0|1,0,0]=3 6481 B9R0.5 O=C(CCO)NCCCO 240690a_100000182051_100011216618 [0,2,0,0,0,0|1,0,0]=3 6482 B9R0.5 O=C(CCO)NNCCO 22a_100000210001_100011216618 [0,2,0,0,0,0|2,0,0]=4 6483 B9R0.5 O=C(CNCCF)NCO 34a_100000724931_100000185155 [0,2,0,0,0,0|2,0,0]=4 6484 B9R0.5 O=C(CNCCO)NCO 2230a_100016997473_100000185155 [0,2,0,0,0,0|2,0,0]=4 6485 B9R0.5 O=C(CNCCO)NCO 34a_100016990907_100000185155 [0,2,0,0,0,0|2,0,0]=4 6486 B9R0.5 O=C(COCCBr)NCO 34a_100000211926_100000185155 [0,2,0,0,0,0|2,0,0]=4 6487 B9R0.5 O=C(CSCCF)NCO 62a_100000185155_100011217306 [0,2,0,0,0,0|2,0,0]=4 6488 B9R0.5 O=C(CSCCF)NCO 62a_100011217306_100000185155 [0,2,0,0,0,0|2,0,0]=4 6489 B9R0.5 O=C(CSCCO)NCO 62a_100000185155_100000211926 [0,2,0,0,0,0|2,0,0]=4 6490 B9R0.5 O=C(CSCCO)NCO 62a_100000211926_100000185155 [0,2,0,0,0,0|2,0,0]=4 6491 B9R0.5 [13CH3]OC[C@@H](N)CCCCN 34a_100016993712_200025704644 [0,2,0,0,0,0|1,0,1]=4 6492 B9R0.5 [N-]=[N+]=NCCC(=O)CCF 1458a_100000688302_100011217306 [0,2,0,0,0,0|2,0,0]=4 6493 B9R0.5 [N-]=[N+]=NCCC(=O)CCO 1458a_100000688302_100000211926 [0,2,0,0,0,0|2,0,0]=4 6494 B9R0.8 C#CC(=O)C(C)CCCC 1458a_100000211873_200011215066 [0,2,0,0,0,0|0,0,2]=4 6495 B9R0.8 C#CC(C)C(=O)C#CCC 1458a_100011827653_200000035995 [0,2,0,0,0,0|0,0,2]=4 6496 B9R0.8 C#CC(C)C(=O)C=CCC 1458a_100000212282_200000035995 [0,2,0,0,0,0|0,0,2]=4 6497 B9R0.8 C#CC(C)C(=O)CC=CC 1458a_100121576822_200000035995 [0,2,0,0,0,0|0,0,2]=4 6498 B9R0.8 C#CC(C)C(=O)CCC#N 1458a_100011934036_200000035995 [0,2,0,0,0,0|1,0,1]=4 6499 B9R0.8 C#CC(C)C(=O)CCC=C 1458a_100000749702_200000035995 [0,2,0,0,0,0|0,0,2]=4 6500 B9R0.8 C#CC(C)C(=O)CCCC 1458a_100000210183_200000035995 [0,2,0,0,0,0|0,0,0]=2 6501 B9R0.8 C#CC(C)C(=O)CCOC 1458a_100000749529_200000035995 [0,2,0,0,0,0|1,0,0]=3 6502 B9R0.8 C#CC(C)C(=O)CCSC 1458a_100000174002_200000035995 [0,2,0,0,0,0|1,0,0]=3 6503 B9R0.8 C#CC(C)C(=O)COCC 1458a_100000211967_200000035995 [0,2,0,0,0,0|1,0,0]=3 6504 B9R0.8 C#CC(C)C(=O)CSCC 1458a_100000230394_200000035995 [0,2,0,0,0,0|1,0,0]=3 6505 B9R0.8 C#CCCC(=O)C(C)C#C 1458a_100000692101_200000035995 [0,2,0,0,0,0|0,0,2]=4 6506 B9R0.8 C#CCCC(=O)C(C)C#N 1458a_100000692101_100000703298 [0,2,0,0,0,0|0,0,2]=4 6507 B9R0.8 C#CCCC(=O)C(C)C#N 1458a_100000753662_100000753159 [0,2,0,0,0,0|0,0,2]=4 6508 B9R0.8 C#CCCC(=O)C(C)C=C 1458a_100011216780_100000753159 [0,2,0,0,0,0|0,0,2]=4 6509 B9R0.8 C#CCCC(=O)C(C)CC 1458a_100000692101_100000758301 [0,2,0,0,0,0|0,0,2]=4 6510 B9R0.8 C#CCCC(=O)C(C)CC 1458a_100011192722_100000753159 [0,2,0,0,0,0|0,0,2]=4 6511 B9R0.8 C#CCCC(=O)C(C)OC 1458a_100000743197_100000753159 [0,2,0,0,0,0|0,0,2]=4 6512 B9R0.8 C#CCCC(=O)C(C)SC 1458a_100000149566_100000753159 [0,2,0,0,0,0|0,0,2]=4 6513 B9R0.8 C#CCCC(=O)C(O)CC 1458a_100011196387_100000753159 [0,2,0,0,0,0|0,0,2]=4 6514 B9R0.8 C#CCCC(=O)C(O)CO 1458a_100011215603_100000753159 [0,2,0,0,0,0|0,0,2]=4 6515 B9R0.8 C#CCCC(=O)N(C)CC 11a_100000225621_100000692101 [0,2,0,0,0,0|0,0,2]=4 6516 B9R0.8 C#CCCC(=O)N(C)CC 1626a_100000225621_100000692101 [0,2,0,0,0,0|0,0,2]=4 6517 B9R0.8 C#CCCC(=O)N(C)CC 240690a_100000225621_100000692101 [0,2,0,0,0,0|0,0,2]=4 6518 B9R0.8 C#CCCC(=O)N(C)CC 527a_100000225621_100000692101 [0,2,0,0,0,0|0,0,2]=4 6519 B9R0.8 C#CCSC(C)C(=O)CC 62a_100000038162_100000742827 [0,2,0,0,0,0|0,0,2]=4 6520 B9R0.8 C/C=C(\C)/C(=O)CCCC 1458a_100020587367_100000210211 [0,2,0,0,0,0|0,0,1]=3 6521 B9R0.8 C/C=C(\C)/C(=O)CCCF 1458a_100020587367_100011934791 [0,2,0,0,0,0|1,0,1]=4 6522 B9R0.8 C/C=C(\C)/C(=O)CCCO 1458a_100020587367_100011215043 [0,2,0,0,0,0|1,0,1]=4 6523 B9R0.8 C/C=C(\C)/C(=O)CCOC 1458a_100020587367_100000233755 [0,2,0,0,0,0|1,0,1]=4 6524 B9R0.8 C/C=C(\C)/C(=O)CCSC 1458a_100020587367_100000751147 [0,2,0,0,0,0|1,0,1]=4 6525 B9R0.8 C/C=C(\C)/C(=O)NCCC 11a_100020643023_100020587367 [0,2,0,0,0,0|1,0,1]=4 6526 B9R0.8 C/C=C(\C)/C(=O)NCCC 1626a_100020643023_100020587367 [0,2,0,0,0,0|1,0,1]=4 6527 B9R0.8 C/C=C(\C)/C(C)NCCC 269862a_100020643023_100020675665 [0,2,0,0,0,0|1,0,1]=4 6528 B9R0.8 C/C=C/CC(=O)C(C)C#N 1458a_100000753662_100102629194 [0,2,0,0,0,0|0,0,2]=4 6529 B9R0.8 C/C=C/CC(=O)C(C)CC 1458a_100011192722_100102629194 [0,2,0,0,0,0|0,0,2]=4 6530 B9R0.8 C/C=C/CC(=O)C(C)OC 1458a_100000743197_100102629194 [0,2,0,0,0,0|0,0,2]=4 6531 B9R0.8 C/C=C/CC(=O)C(C)SC 1458a_100000149566_100102629194 [0,2,0,0,0,0|0,0,2]=4 6532 B9R0.8 C/C=C/CC(=O)C(O)CC 1458a_100011196387_100102629194 [0,2,0,0,0,0|0,0,2]=4 6533 B9R0.8 C/C=C/CC(=O)C(O)CO 1458a_100011215603_100102629194 [0,2,0,0,0,0|0,0,2]=4 6534 B9R0.8 C=C(COCC)C(=O)OC 34a_100121572206_100009813391 [0,2,0,0,0,0|1,0,1]=4 6535 B9R0.8 C=C(CSCC)C(=O)OC 62a_100000210202_100009813391 [0,2,0,0,0,0|1,0,1]=4 6536 B9R0.8 C=C(CSCC)C(=O)OC 62a_100009813391_100000210202 [0,2,0,0,0,0|1,0,1]=4 6537 B9R0.8 C=CC(=O)C(C)CCCC 1458a_100000185746_200011215066 [0,2,0,0,0,0|0,0,2]=4 6538 B9R0.8 C=CC(=O)N(C)CCCC 1626a_100000207549_100000185746 [0,2,0,0,0,0|0,0,2]=4 6539 B9R0.8 C=CC(=O)N(C)CCCC 240690a_100000207549_200121576911 [0,2,0,0,0,0|0,0,2]=4 6540 B9R0.8 C=CC(C)C(=O)C/C=C/C 1458a_100011216780_100102629194 [0,2,0,0,0,0|0,0,2]=4 6541 B9R0.8 C=CC(C)C(=O)CC#CC 1458a_100011216780_100000748600 [0,2,0,0,0,0|0,0,2]=4 6542 B9R0.8 C=CC(C)C(=O)CC=CC 1458a_100011216780_100000070051 [0,2,0,0,0,0|0,0,2]=4 6543 B9R0.8 C=CC(C)C(=O)CCC#N 1458a_100011216780_100011215226 [0,2,0,0,0,0|1,0,1]=4 6544 B9R0.8 C=CC(C)C(=O)CCCC 1458a_100011216780_100000210211 [0,2,0,0,0,0|0,0,0]=2 6545 B9R0.8 C=CC(C)C(=O)CCCF 1458a_100011216780_100011934791 [0,2,0,0,0,0|1,0,0]=3 6546 B9R0.8 C=CC(C)C(=O)CCCO 1458a_100011216780_100011215043 [0,2,0,0,0,0|1,0,0]=3 6547 B9R0.8 C=CC(C)C(=O)CCOC 1458a_100011216780_100000233755 [0,2,0,0,0,0|1,0,0]=3 6548 B9R0.8 C=CC(C)C(=O)CCSC 1458a_100011216780_100000751147 [0,2,0,0,0,0|1,0,0]=3 6549 B9R0.8 C=CC(C)C(=O)NCCC 11a_100020643023_100011216780 [0,2,0,0,0,0|1,0,0]=3 6550 B9R0.8 C=CC(C)C(=O)NCCC 1626a_100020643023_100011216780 [0,2,0,0,0,0|1,0,0]=3 6551 B9R0.8 C=CC(C)C(=O)NCCC 240690a_100020643023_100011216780 [0,2,0,0,0,0|1,0,0]=3 6552 B9R0.8 C=CC(C)C(=O)NCCC 527a_100020643023_100011216780 [0,2,0,0,0,0|1,0,0]=3 6553 B9R0.8 C=CC(C)C(=O)NCCF 11a_100000724931_100011216780 [0,2,0,0,0,0|2,0,0]=4 6554 B9R0.8 C=CC(C)C(=O)NCCF 1626a_100000724931_100011216780 [0,2,0,0,0,0|2,0,0]=4 6555 B9R0.8 C=CC(C)C(=O)NCCF 240690a_100000724931_100011216780 [0,2,0,0,0,0|2,0,0]=4 6556 B9R0.8 C=CC(C)C(=O)NCCF 527a_100000724931_100011216780 [0,2,0,0,0,0|2,0,0]=4 6557 B9R0.8 C=CC(C)C(=O)NCCO 240690a_100000210304_100011216780 [0,2,0,0,0,0|2,0,0]=4 6558 B9R0.8 C=CC(C)C(=O)NCCO 527a_100000210304_100011216780 [0,2,0,0,0,0|2,0,0]=4 6559 B9R0.8 C=CC(C)C(=O)NNCC 22a_100000756455_100011216780 [0,2,0,0,0,0|2,0,0]=4 6560 B9R0.8 C=CC(C)N(C)CCCC 269982a_100000207549_100011215867 [0,2,0,0,0,0|2,0,0]=4 6561 B9R0.8 C=CCCC(=O)C(C)C#N 1458a_100000749702_100000703298 [0,2,0,0,0,0|0,0,2]=4 6562 B9R0.8 C=CCCC(=O)C(C)C#N 1458a_100000753662_100000754431 [0,2,0,0,0,0|0,0,2]=4 6563 B9R0.8 C=CCCC(=O)C(C)C=C 1458a_100011216780_100000754431 [0,2,0,0,0,0|0,0,2]=4 6564 B9R0.8 C=CCCC(=O)C(C)CC 1458a_100000749702_100000758301 [0,2,0,0,0,0|0,0,2]=4 6565 B9R0.8 C=CCCC(=O)C(C)CC 1458a_100011192722_100000754431 [0,2,0,0,0,0|0,0,2]=4 6566 B9R0.8 C=CCCC(=O)C(C)OC 1458a_100000743197_100000754431 [0,2,0,0,0,0|0,0,2]=4 6567 B9R0.8 C=CCCC(=O)C(C)SC 1458a_100000149566_100000754431 [0,2,0,0,0,0|0,0,2]=4 6568 B9R0.8 C=CCCC(=O)C(O)CC 1458a_100011196387_100000754431 [0,2,0,0,0,0|0,0,2]=4 6569 B9R0.8 C=CCCC(=O)C(O)CO 1458a_100011215603_100000754431 [0,2,0,0,0,0|0,0,2]=4 6570 B9R0.8 C=CCCC(=O)N(C)CC 11a_100000225621_100000749702 [0,2,0,0,0,0|0,0,2]=4 6571 B9R0.8 C=CCCC(=O)N(C)CC 1626a_100000225621_100000749702 [0,2,0,0,0,0|0,0,2]=4 6572 B9R0.8 C=CCCC(=O)N(C)CC 240690a_100000225621_100000749702 [0,2,0,0,0,0|0,0,2]=4 6573 B9R0.8 C=CCCC(=O)N(C)CC 527a_100000225621_100000749702 [0,2,0,0,0,0|0,0,2]=4 6574 B9R0.8 C=CCCN(C)C(=O)CC 11a_100020639649_100000210414 [0,2,0,0,0,0|0,0,2]=4 6575 B9R0.8 C=CCCN(C)C(=O)CC 1626a_100020639649_100000210414 [0,2,0,0,0,0|0,0,2]=4 6576 B9R0.8 C=CCCN(C)C(=O)CC 240690a_100020639649_100000210414 [0,2,0,0,0,0|0,0,2]=4 6577 B9R0.8 C=CCCN(C)C(=O)CC 527a_100020639649_100000210414 [0,2,0,0,0,0|0,0,2]=4 6578 B9R0.8 C=CCNC(C)C(=O)CC 2230a_100020586998_100000742827 [0,2,0,0,0,0|0,0,2]=4 6579 B9R0.8 C=CCSC(C)C(=O)CC 1458a_100000230602_100000210202 [0,2,0,0,0,0|0,0,2]=4 6580 B9R0.8 C=CCSC(C)C(=O)CC 62a_100000210623_100000742827 [0,2,0,0,0,0|0,0,2]=4 6581 B9R0.8 C=CCSC(C)C(=O)CC 62a_100000742827_100000210623 [0,2,0,0,0,0|0,0,2]=4 6582 B9R0.8 CC#CCC(=O)C(C)C#N 1458a_100000753662_100000748600 [0,2,0,0,0,0|0,0,2]=4 6583 B9R0.8 CC#CCC(=O)C(C)CC 1458a_100011192722_100000748600 [0,2,0,0,0,0|0,0,2]=4 6584 B9R0.8 CC#CCC(=O)C(C)OC 1458a_100000743197_100000748600 [0,2,0,0,0,0|0,0,2]=4 6585 B9R0.8 CC#CCC(=O)C(C)SC 1458a_100000149566_100000748600 [0,2,0,0,0,0|0,0,2]=4 6586 B9R0.8 CC#CCC(=O)C(O)CC 1458a_100011196387_100000748600 [0,2,0,0,0,0|0,0,2]=4 6587 B9R0.8 CC#CCC(=O)C(O)CO 1458a_100011215603_100000748600 [0,2,0,0,0,0|0,0,2]=4 6588 B9R0.8 CC(C#N)C(=O)CCC#N 1458a_100000753662_100011215226 [0,2,0,0,0,0|1,0,1]=4 6589 B9R0.8 CC(C#N)C(=O)CCC#N 1458a_100011934036_100000703298 [0,2,0,0,0,0|1,0,1]=4 6590 B9R0.8 CC(C#N)C(=O)CCCF 1458a_100000753662_100011934791 [0,2,0,0,0,0|1,0,0]=3 6591 B9R0.8 CC(C#N)C(=O)CCCO 1458a_100000753662_100011215043 [0,2,0,0,0,0|1,0,0]=3 6592 B9R0.8 CC(C#N)C(=O)NCCF 11a_100000724931_100000753662 [0,2,0,0,0,0|2,0,0]=4 6593 B9R0.8 CC(C#N)C(=O)NCCF 1626a_100000724931_100000753662 [0,2,0,0,0,0|2,0,0]=4 6594 B9R0.8 CC(C#N)C(=O)NCCF 240690a_100000724931_100000753662 [0,2,0,0,0,0|2,0,0]=4 6595 B9R0.8 CC(C#N)C(=O)NCCF 527a_100000724931_100000753662 [0,2,0,0,0,0|2,0,0]=4 6596 B9R0.8 CC(C#N)C(=O)NCCO 240690a_100000210304_100000753662 [0,2,0,0,0,0|2,0,0]=4 6597 B9R0.8 CC(C#N)C(=O)NCCO 527a_100000210304_100000753662 [0,2,0,0,0,0|2,0,0]=4 6598 B9R0.8 CC=CCC(=O)C(C)C#N 1458a_100000753662_100000070051 [0,2,0,0,0,0|0,0,2]=4 6599 B9R0.8 CC=CCC(=O)C(C)C#N 1458a_100121576822_100000703298 [0,2,0,0,0,0|0,0,2]=4 6600 B9R0.8 CC=CCC(=O)C(C)CC 1458a_100011192722_100000070051 [0,2,0,0,0,0|0,0,2]=4 6601 B9R0.8 CC=CCC(=O)C(C)CC 1458a_100121576822_100000758301 [0,2,0,0,0,0|0,0,2]=4 6602 B9R0.8 CC=CCC(=O)C(C)OC 1458a_100000743197_100000070051 [0,2,0,0,0,0|0,0,2]=4 6603 B9R0.8 CC=CCC(=O)C(C)SC 1458a_100000149566_100000070051 [0,2,0,0,0,0|0,0,2]=4 6604 B9R0.8 CC=CCC(=O)C(O)CC 1458a_100011196387_100000070051 [0,2,0,0,0,0|0,0,2]=4 6605 B9R0.8 CC=CCC(=O)C(O)CO 1458a_100011215603_100000070051 [0,2,0,0,0,0|0,0,2]=4 6606 B9R0.8 CC=CCC(=O)N(C)CC 11a_100000225621_100121576822 [0,2,0,0,0,0|0,0,2]=4 6607 B9R0.8 CC=CCC(=O)N(C)CC 1626a_100000225621_100121576822 [0,2,0,0,0,0|0,0,2]=4 6608 B9R0.8 CC=CCC(=O)N(C)CC 240690a_100000225621_100121576822 [0,2,0,0,0,0|0,0,2]=4 6609 B9R0.8 CC=CCC(=O)N(C)CC 527a_100000225621_100121576822 [0,2,0,0,0,0|0,0,2]=4 6610 B9R0.8 CCC#CC(=O)C(C)C#N 1458a_100011827653_100000703298 [0,2,0,0,0,0|0,0,2]=4 6611 B9R0.8 CCC#CC(=O)C(C)CC 1458a_100011827653_100000758301 [0,2,0,0,0,0|0,0,2]=4 6612 B9R0.8 CCC(=O)C(C)NCCO 2230a_100016997473_100000742827 [0,2,0,0,0,0|1,0,0]=3 6613 B9R0.8 CCC(=O)C(C)SCC#N 62a_100000742827_100011215382 [0,2,0,0,0,0|1,0,1]=4 6614 B9R0.8 CCC(=O)C(C)SCC#N 62a_100011215382_100000742827 [0,2,0,0,0,0|1,0,1]=4 6615 B9R0.8 CCC(=O)C(C)SCC=O 62a_100000742827_200015260668 [0,2,0,0,0,0|1,0,1]=4 6616 B9R0.8 CCC(=O)C(C)SCC=O 62a_200015260668_100000742827 [0,2,0,0,0,0|1,0,1]=4 6617 B9R0.8 CCC(=O)C(C)SCCF 62a_100000742827_100011217306 [0,2,0,0,0,0|1,0,0]=3 6618 B9R0.8 CCC(=O)C(C)SCCF 62a_100011217306_100000742827 [0,2,0,0,0,0|1,0,0]=3 6619 B9R0.8 CCC(=O)C(C)SCCO 62a_100000211926_100000742827 [0,2,0,0,0,0|1,0,0]=3 6620 B9R0.8 CCC(=O)C(C)SCCO 62a_100000742827_100000211926 [0,2,0,0,0,0|1,0,0]=3 6621 B9R0.8 CCC(=O)C(C)SCOC 62a_100000742827_100000766300 [0,2,0,0,0,0|1,0,0]=3 6622 B9R0.8 CCC(=O)C(C)SCOC 62a_100000766300_100000742827 [0,2,0,0,0,0|1,0,0]=3 6623 B9R0.8 CCC(=O)C(C)SCSC 62a_100000742827_100011218213 [0,2,0,0,0,0|1,0,0]=3 6624 B9R0.8 CCC(=O)C(C)SCSC 62a_100011218213_100000742827 [0,2,0,0,0,0|1,0,0]=3 6625 B9R0.8 CCC(=O)C(O)CCSC 1458a_100000685904_100000210202 [0,2,0,0,0,0|0,0,0]=2 6626 B9R0.8 CCC(=O)N(C)CCC#N 11a_100000184479_100000210414 [0,2,0,0,0,0|1,0,1]=4 6627 B9R0.8 CCC(=O)N(C)CCC#N 1626a_100000184479_100000210414 [0,2,0,0,0,0|1,0,1]=4 6628 B9R0.8 CCC(=O)N(C)CCC#N 240690a_100000184479_100000210414 [0,2,0,0,0,0|1,0,1]=4 6629 B9R0.8 CCC(=O)N(C)CCC#N 527a_100000184479_100000210414 [0,2,0,0,0,0|1,0,1]=4 6630 B9R0.8 CCC(=O)N(C)CCCO 240690a_100000213112_100000210414 [0,2,0,0,0,0|1,0,0]=3 6631 B9R0.8 CCC(=O)N(C)CCCO 527a_100000213112_100000210414 [0,2,0,0,0,0|1,0,0]=3 6632 B9R0.8 CCC(=O)N(C)CCOC 11a_100000743101_100000210414 [0,2,0,0,0,0|1,0,0]=3 6633 B9R0.8 CCC(=O)N(C)CCOC 1626a_100000743101_100000210414 [0,2,0,0,0,0|1,0,0]=3 6634 B9R0.8 CCC(=O)N(C)CCOC 240690a_100000743101_100000210414 [0,2,0,0,0,0|1,0,0]=3 6635 B9R0.8 CCC(=O)N(C)CCOC 527a_100000743101_100000210414 [0,2,0,0,0,0|1,0,0]=3 6636 B9R0.8 CCC(=O)N(C)CCSC 11a_100000686725_100000210414 [0,2,0,0,0,0|1,0,0]=3 6637 B9R0.8 CCC(=O)N(C)CCSC 1626a_100000686725_100000210414 [0,2,0,0,0,0|1,0,0]=3 6638 B9R0.8 CCC(=O)N(C)CCSC 240690a_100000686725_100000210414 [0,2,0,0,0,0|1,0,0]=3 6639 B9R0.8 CCC(=O)N(C)CCSC 527a_100000686725_100000210414 [0,2,0,0,0,0|1,0,0]=3 6640 B9R0.8 CCC(C)C(=O)CCC#N 1458a_100011192722_100011215226 [0,2,0,0,0,0|1,0,1]=4 6641 B9R0.8 CCC(C)C(=O)CCC#N 1458a_100011934036_100000758301 [0,2,0,0,0,0|1,0,1]=4 6642 B9R0.8 CCC(C)C(=O)CCCF 1458a_100011192722_100011934791 [0,2,0,0,0,0|1,0,0]=3 6643 B9R0.8 CCC(C)C(=O)CCCO 1458a_100011192722_100011215043 [0,2,0,0,0,0|1,0,0]=3 6644 B9R0.8 CCC(C)C(=O)CCOC 1458a_100000749529_100000758301 [0,2,0,0,0,0|1,0,0]=3 6645 B9R0.8 CCC(C)C(=O)CCOC 1458a_100011192722_100000233755 [0,2,0,0,0,0|1,0,0]=3 6646 B9R0.8 CCC(C)C(=O)CCSC 1458a_100000174002_100000758301 [0,2,0,0,0,0|1,0,0]=3 6647 B9R0.8 CCC(C)C(=O)CCSC 1458a_100011192722_100000751147 [0,2,0,0,0,0|1,0,0]=3 6648 B9R0.8 CCC(C)C(=O)NCCF 11a_100000724931_100011192722 [0,2,0,0,0,0|2,0,0]=4 6649 B9R0.8 CCC(C)C(=O)NCCF 1626a_100000724931_100011192722 [0,2,0,0,0,0|2,0,0]=4 6650 B9R0.8 CCC(C)C(=O)NCCF 240690a_100000724931_100011192722 [0,2,0,0,0,0|2,0,0]=4 6651 B9R0.8 CCC(C)C(=O)NCCF 527a_100000724931_100011192722 [0,2,0,0,0,0|2,0,0]=4 6652 B9R0.8 CCC(C)C(=O)NCCO 240690a_100000210304_100011192722 [0,2,0,0,0,0|2,0,0]=4 6653 B9R0.8 CCC(C)C(=O)NCCO 527a_100000210304_100011192722 [0,2,0,0,0,0|2,0,0]=4 6654 B9R0.8 CCC(O)C(=O)CCC#N 1458a_100011196387_100011215226 [0,2,0,0,0,0|1,0,1]=4 6655 B9R0.8 CCC(O)C(=O)CCCF 1458a_100011196387_100011934791 [0,2,0,0,0,0|1,0,0]=3 6656 B9R0.8 CCC(O)C(=O)CCCO 1458a_100011196387_100011215043 [0,2,0,0,0,0|1,0,0]=3 6657 B9R0.8 CCC(O)C(=O)CCOC 1458a_100011196387_100000233755 [0,2,0,0,0,0|1,0,0]=3 6658 B9R0.8 CCC(O)C(=O)CCSC 1458a_100011196387_100000751147 [0,2,0,0,0,0|1,0,0]=3 6659 B9R0.8 CCC(O)C(=O)NCCF 240690a_100000724931_100011196387 [0,2,0,0,0,0|2,0,0]=4 6660 B9R0.8 CCC(O)C(=O)NCCO 240690a_100000210304_100011196387 [0,2,0,0,0,0|2,0,0]=4 6661 B9R0.8 CCC/C=C(\C)/C(=O)CC 1458a_200020648666_100000210202 [0,2,0,0,0,0|0,0,1]=3 6662 B9R0.8 CCC/C=C(\C)/C(=O)CF 1458a_200020648666_100015361967 [0,2,0,0,0,0|1,0,1]=4 6663 B9R0.8 CCC/C=C(\C)/C(=O)NC 11a_106832991635_200020648666 [0,2,0,0,0,0|1,0,1]=4 6664 B9R0.8 CCC/C=C(\C)/C(=O)NC 1626a_100102657272_200020648666 [0,2,0,0,0,0|1,0,1]=4 6665 B9R0.8 CCC/C=C(\C)/C(=O)NC 240690a_100102657272_200020648666 [0,2,0,0,0,0|1,0,1]=4 6666 B9R0.8 CCC=CC(=O)C(C)C#N 1458a_100000212282_100000703298 [0,2,0,0,0,0|0,0,2]=4 6667 B9R0.8 CCC=CC(=O)C(C)CC 1458a_100000212282_100000758301 [0,2,0,0,0,0|0,0,2]=4 6668 B9R0.8 CCC=CC(=O)N(C)CC 11a_100000225621_100000212282 [0,2,0,0,0,0|0,0,2]=4 6669 B9R0.8 CCC=CC(=O)N(C)CC 1626a_100000225621_100000212282 [0,2,0,0,0,0|0,0,2]=4 6670 B9R0.8 CCC=CC(=O)N(C)CC 240690a_100000225621_100000212282 [0,2,0,0,0,0|0,0,2]=4 6671 B9R0.8 CCCCC(=O)C(=O)NC 1458a_100011218921_100000210211 [0,2,0,0,0,0|0,0,1]=3 6672 B9R0.8 CCCCC(=O)C(C)C#N 1458a_100000210183_100000703298 [0,2,0,0,0,0|0,0,0]=2 6673 B9R0.8 CCCCC(=O)C(C)C#N 1458a_100000753662_100000210211 [0,2,0,0,0,0|0,0,0]=2 6674 B9R0.8 CCCCC(=O)C(C)CC 1458a_100000210183_100000758301 [0,2,0,0,0,0|0,0,0]=2 6675 B9R0.8 CCCCC(=O)C(C)CC 1458a_100011192722_100000210211 [0,2,0,0,0,0|0,0,0]=2 6676 B9R0.8 CCCCC(=O)C(C)OC 1458a_100000743197_100000210211 [0,2,0,0,0,0|0,0,0]=2 6677 B9R0.8 CCCCC(=O)C(C)SC 1458a_100000149566_100000210211 [0,2,0,0,0,0|0,0,0]=2 6678 B9R0.8 CCCCC(=O)C(O)CC 1458a_100011196387_100000210211 [0,2,0,0,0,0|0,0,0]=2 6679 B9R0.8 CCCCC(=O)C(O)CO 1458a_100011215603_100000210211 [0,2,0,0,0,0|0,0,0]=2 6680 B9R0.8 CCCCC(=O)N(C)CC 11a_100000225621_100000210183 [0,2,0,0,0,0|0,0,0]=2 6681 B9R0.8 CCCCC(=O)N(C)CC 1626a_100000225621_100000210183 [0,2,0,0,0,0|0,0,0]=2 6682 B9R0.8 CCCCC(=O)N(C)CC 240690a_100000225621_100000210183 [0,2,0,0,0,0|0,0,0]=2 6683 B9R0.8 CCCCC(=O)N(C)CC 527a_100000225621_100000210183 [0,2,0,0,0,0|0,0,0]=2 6684 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000210414_200011215066 [0,2,0,0,0,0|0,0,0]=2 6685 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000725509_100000210202 [0,2,0,0,0,0|0,0,0]=2 6686 B9R0.8 CCCCC(C)C(=O)CF 1458a_100000725509_100015361967 [0,2,0,0,0,0|1,0,0]=3 6687 B9R0.8 CCCCC(C)C(=O)CO 1458a_100000210174_200011215066 [0,2,0,0,0,0|1,0,0]=3 6688 B9R0.8 CCCCC(C)C(=O)NC 11a_106832991635_100000725509 [0,2,0,0,0,0|1,0,0]=3 6689 B9R0.8 CCCCC(C)C(=O)NC 1626a_100102657272_100000725509 [0,2,0,0,0,0|1,0,0]=3 6690 B9R0.8 CCCCC(C)C(=O)NC 240690a_100102657272_100000725509 [0,2,0,0,0,0|1,0,0]=3 6691 B9R0.8 CCCCC(C)C(=O)NC 527a_100102657272_100000725509 [0,2,0,0,0,0|1,0,0]=3 6692 B9R0.8 CCCCC(C)N(C)CC 2230a_100000225621_200011215066 [0,2,0,0,0,0|1,0,1]=4 6693 B9R0.8 CCCCC(C)N(C)CC 269982a_100000225621_200011215066 [0,2,0,0,0,0|1,0,1]=4 6694 B9R0.8 CCCCC(O)C(=O)CC 1458a_100000720857_100000210202 [0,2,0,0,0,0|0,0,0]=2 6695 B9R0.8 CCCCC(O)C(=O)CF 1458a_100000720857_100015361967 [0,2,0,0,0,0|1,0,0]=3 6696 B9R0.8 CCCCC(O)C(=O)NC 240690a_100102657272_100000720857 [0,2,0,0,0,0|1,0,0]=3 6697 B9R0.8 CCCCC(O)C(=O)NC 527a_100102657272_100000720857 [0,2,0,0,0,0|1,0,0]=3 6698 B9R0.8 CCCCN(C)C(=O)CC 11a_100000207549_100000210414 [0,2,0,0,0,0|0,0,0]=2 6699 B9R0.8 CCCCN(C)C(=O)CC 1626a_100000207549_100000210414 [0,2,0,0,0,0|0,0,0]=2 6700 B9R0.8 CCCCN(C)C(=O)CC 240690a_100000207549_100000210414 [0,2,0,0,0,0|0,0,0]=2 6701 B9R0.8 CCCCN(C)C(=O)CC 527a_100000207549_100000210414 [0,2,0,0,0,0|0,0,0]=2 6702 B9R0.8 CCCCN(C)C(=O)CO 240690a_100000207549_100000210174 [0,2,0,0,0,0|1,0,0]=3 6703 B9R0.8 CCCCN(C)C(=O)CO 527a_100000207549_100000210174 [0,2,0,0,0,0|1,0,0]=3 6704 B9R0.8 CCCCN(C)C(=O)NC 2708a_100102657272_100000207549 [0,2,0,0,0,0|1,0,0]=3 6705 B9R0.8 CCCCN(C)C(=O)NC 273464a_100102657272_100000207549 [0,2,0,0,0,0|1,0,0]=3 6706 B9R0.8 CCCCN(C)C(C)C#N 2230a_100000207549_100000184139 [0,2,0,0,0,0|2,0,0]=4 6707 B9R0.8 CCCCN(C)C(C)C#N 269982a_100000207549_100000703298 [0,2,0,0,0,0|2,0,0]=4 6708 B9R0.8 CCCCN(C)C(C)CC 2230a_100000207357_200000210301 [0,2,0,0,0,0|1,0,1]=4 6709 B9R0.8 CCCCN(C)C(C)CC 2230a_100000207549_100000758301 [0,2,0,0,0,0|1,0,1]=4 6710 B9R0.8 CCCCN(C)C(C)CC 2230a_100000741768_100000210211 [0,2,0,0,0,0|1,0,1]=4 6711 B9R0.8 CCCCN(C)C(C)CC 269982a_100000207357_200000210301 [0,2,0,0,0,0|1,0,1]=4 6712 B9R0.8 CCCCN(C)C(C)CC 269982a_100000207549_100000758301 [0,2,0,0,0,0|1,0,1]=4 6713 B9R0.8 CCCCN(C)C(C)CC 269982a_100000741768_100000210211 [0,2,0,0,0,0|1,0,1]=4 6714 B9R0.8 CCCCN(C)C(C)CO 2230a_100000207549_100012180447 [0,2,0,0,0,0|2,0,0]=4 6715 B9R0.8 CCCCN(C)C(C)CO 2230a_100000693034_100000210211 [0,2,0,0,0,0|2,0,0]=4 6716 B9R0.8 CCCCN(C)C(C)CO 269982a_100000693034_100000210211 [0,2,0,0,0,0|2,0,0]=4 6717 B9R0.8 CCCCN(C)C(C)OC 269982a_100000207549_100009879195 [0,2,0,0,0,0|2,0,0]=4 6718 B9R0.8 CCCCN(C)[C@H](C)CO 269982a_100000207549_100016084084 [0,2,0,0,0,0|2,0,0]=4 6719 B9R0.8 CCCCN([13CH3])C(C)CC 2230a_100000207357_200025704644 [0,2,0,0,0,0|1,0,1]=4 6720 B9R0.8 CCCCN([13CH3])C(C)CC 269982a_100000207357_200025704644 [0,2,0,0,0,0|1,0,1]=4 6721 B9R0.8 CCCNC(=O)C(=O)CC 1458a_200011297150_100000210202 [0,2,0,0,0,0|0,0,1]=3 6722 B9R0.8 CCCNC(=O)C(=O)CF 1458a_200011297150_100015361967 [0,2,0,0,0,0|1,0,1]=4 6723 B9R0.8 CCCNC(=O)C(=O)NC 1626a_100020643023_100011218921 [0,2,0,0,0,0|1,0,1]=4 6724 B9R0.8 CCCNC(=O)C(=O)NC 1626a_100102657272_200011297150 [0,2,0,0,0,0|1,0,1]=4 6725 B9R0.8 CCCNC(=O)C(=O)NC 240690a_100020643023_100011218921 [0,2,0,0,0,0|1,0,1]=4 6726 B9R0.8 CCCNC(=O)C(=O)NC 240690a_100102657272_200011297150 [0,2,0,0,0,0|1,0,1]=4 6727 B9R0.8 CCCNC(=O)C(=O)NC 527a_100020643023_100011218921 [0,2,0,0,0,0|1,0,1]=4 6728 B9R0.8 CCCNC(=O)C(=O)NC 527a_100102657272_200011297150 [0,2,0,0,0,0|1,0,1]=4 6729 B9R0.8 CCCNC(=O)C(=O)OC 11a_100020643023_100000024059 [0,2,0,0,0,0|1,0,1]=4 6730 B9R0.8 CCCNC(=O)C(=O)OC 1626a_100020643023_100000024059 [0,2,0,0,0,0|1,0,1]=4 6731 B9R0.8 CCCNC(=O)C(=O)OC 240690a_100020643023_100000024059 [0,2,0,0,0,0|1,0,1]=4 6732 B9R0.8 CCCNC(=O)C(=O)OC 527a_100020643023_100000024059 [0,2,0,0,0,0|1,0,1]=4 6733 B9R0.8 CCCNC(=O)C(C)C#N 11a_100020643023_100000753662 [0,2,0,0,0,0|1,0,0]=3 6734 B9R0.8 CCCNC(=O)C(C)C#N 1626a_100020643023_100000753662 [0,2,0,0,0,0|1,0,0]=3 6735 B9R0.8 CCCNC(=O)C(C)C#N 240690a_100020643023_100000753662 [0,2,0,0,0,0|1,0,0]=3 6736 B9R0.8 CCCNC(=O)C(C)C#N 527a_100020643023_100000753662 [0,2,0,0,0,0|1,0,0]=3 6737 B9R0.8 CCCNC(=O)C(C)CC 11a_100020643023_100011192722 [0,2,0,0,0,0|1,0,0]=3 6738 B9R0.8 CCCNC(=O)C(C)CC 1626a_100020643023_100011192722 [0,2,0,0,0,0|1,0,0]=3 6739 B9R0.8 CCCNC(=O)C(C)CC 240690a_100020643023_100011192722 [0,2,0,0,0,0|1,0,0]=3 6740 B9R0.8 CCCNC(=O)C(C)CC 527a_100020643023_100011192722 [0,2,0,0,0,0|1,0,0]=3 6741 B9R0.8 CCCNC(=O)C(C)NC 2230a_100025744714_200000210301 [0,2,0,0,0,0|1,0,0]=3 6742 B9R0.8 CCCNC(=O)C(C)NC 2230a_106832991635_100000230305 [0,2,0,0,0,0|1,0,0]=3 6743 B9R0.8 CCCNC(=O)C(C)NC 34a_100025744714_200000210301 [0,2,0,0,0,0|1,0,0]=3 6744 B9R0.8 CCCNC(=O)C(C)NC 34a_100102657272_100000230305 [0,2,0,0,0,0|1,0,0]=3 6745 B9R0.8 CCCNC(=O)C(C)NC 7a_106832991635_100000230305 [0,2,0,0,0,0|1,0,0]=3 6746 B9R0.8 CCCNC(=O)C(C)N[13CH3] 2230a_100025744714_200025704644 [0,2,0,0,0,0|1,0,0]=3 6747 B9R0.8 CCCNC(=O)C(C)N[13CH3] 34a_100025744714_200025704644 [0,2,0,0,0,0|1,0,0]=3 6748 B9R0.8 CCCNC(=O)C(C)OC 11a_100020643023_100000743197 [0,2,0,0,0,0|1,0,0]=3 6749 B9R0.8 CCCNC(=O)C(C)OC 1626a_100020643023_100000743197 [0,2,0,0,0,0|1,0,0]=3 6750 B9R0.8 CCCNC(=O)C(C)OC 240690a_100020643023_100000743197 [0,2,0,0,0,0|1,0,0]=3 6751 B9R0.8 CCCNC(=O)C(C)OC 34a_100138415774_100000230305 [0,2,0,0,0,0|1,0,0]=3 6752 B9R0.8 CCCNC(=O)C(C)OC 527a_100020643023_100000743197 [0,2,0,0,0,0|1,0,0]=3 6753 B9R0.8 CCCNC(=O)C(C)SC 11a_100020643023_100000149566 [0,2,0,0,0,0|1,0,0]=3 6754 B9R0.8 CCCNC(=O)C(C)SC 1626a_100020643023_100000149566 [0,2,0,0,0,0|1,0,0]=3 6755 B9R0.8 CCCNC(=O)C(C)SC 240690a_100020643023_100000149566 [0,2,0,0,0,0|1,0,0]=3 6756 B9R0.8 CCCNC(=O)C(C)SC 527a_100020643023_100000149566 [0,2,0,0,0,0|1,0,0]=3 6757 B9R0.8 CCCNC(=O)C(C)SC 62a_100000230305_200000210301 [0,2,0,0,0,0|1,0,0]=3 6758 B9R0.8 CCCNC(=O)C(C)SC 62a_200000210301_100000230305 [0,2,0,0,0,0|1,0,0]=3 6759 B9R0.8 CCCNC(=O)C(C)S[13CH3] 62a_100000230305_200025704644 [0,2,0,0,0,0|1,0,0]=3 6760 B9R0.8 CCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230305 [0,2,0,0,0,0|1,0,0]=3 6761 B9R0.8 CCCNC(=O)C(O)CC 240690a_100020643023_100011196387 [0,2,0,0,0,0|1,0,0]=3 6762 B9R0.8 CCCNC(=O)C(O)CO 240690a_100020643023_100011215603 [0,2,0,0,0,0|1,0,0]=3 6763 B9R0.8 CCCNC(=O)N(C)CC 2708a_100020643023_100000225621 [0,2,0,0,0,0|1,0,0]=3 6764 B9R0.8 CCCNC(=O)N(C)CC 273464a_100020643023_100000225621 [0,2,0,0,0,0|1,0,0]=3 6765 B9R0.8 CCCNC(C)C(C)CC 269862a_100020643023_100000210599 [0,2,0,0,0,0|1,0,1]=4 6766 B9R0.8 CCCNC(C)C(C)CC 270004a_100020643023_100000210599 [0,2,0,0,0,0|1,0,1]=4 6767 B9R0.8 CCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210303 [0,2,0,0,0,0|1,0,0]=3 6768 B9R0.8 CCCN[C@H](C)C(=O)NC 34a_100000684985_100000210303 [0,2,0,0,0,0|1,0,0]=3 6769 B9R0.8 CCCOC(=O)C(C)NC 2230a_106832991635_100000760410 [0,2,0,0,0,0|1,0,0]=3 6770 B9R0.8 CCCOC(=O)C(C)NC 34a_100102657272_100000760410 [0,2,0,0,0,0|1,0,0]=3 6771 B9R0.8 CCCOC(=O)C(C)NC 7a_106832991635_100000760410 [0,2,0,0,0,0|1,0,0]=3 6772 B9R0.8 CCCOC(=O)C(C)OC 34a_100000037348_200000210301 [0,2,0,0,0,0|1,0,0]=3 6773 B9R0.8 CCCOC(=O)C(C)OC 34a_100138415774_100000760410 [0,2,0,0,0,0|1,0,0]=3 6774 B9R0.8 CCCOC(=O)C(C)OC 7a_100000037348_200000210301 [0,2,0,0,0,0|1,0,0]=3 6775 B9R0.8 CCCOC(=O)C(C)O[13CH3] 34a_100000037348_200025704644 [0,2,0,0,0,0|1,0,0]=3 6776 B9R0.8 CCCOC(=O)C(C)O[13CH3] 7a_100000037348_200025704644 [0,2,0,0,0,0|1,0,0]=3 6777 B9R0.8 CCCOC(=O)C(C)SC 62a_100000760410_200000210301 [0,2,0,0,0,0|1,0,0]=3 6778 B9R0.8 CCCOC(=O)C(C)SC 62a_200000210301_100000760410 [0,2,0,0,0,0|1,0,0]=3 6779 B9R0.8 CCCOC(=O)C(C)S[13CH3] 62a_100000760410_200025704644 [0,2,0,0,0,0|1,0,0]=3 6780 B9R0.8 CCCOC(=O)C(C)S[13CH3] 62a_200025704644_100000760410 [0,2,0,0,0,0|1,0,0]=3 6781 B9R0.8 CCCOC(C)C(=O)NC 34a_100000210258_100000731044 [0,2,0,0,0,0|1,0,0]=3 6782 B9R0.8 CCCOC(C)C(=O)NN 34a_100000725659_100000210303 [0,2,0,0,0,0|2,0,0]=4 6783 B9R0.8 CCCOC(C)C(=O)OC 34a_100000210258_100000211248 [0,2,0,0,0,0|1,0,0]=3 6784 B9R0.8 CCCOC(C)C(=O)OC 34a_100011215400_100000210303 [0,2,0,0,0,0|1,0,0]=3 6785 B9R0.8 CCCOC(C)C(C)CC 7a_100011215189_100000210303 [0,2,0,0,0,0|1,0,1]=4 6786 B9R0.8 CCCOC(F)C(=O)NC 34a_100000210258_100009813575 [0,2,0,0,0,0|1,0,0]=3 6787 B9R0.8 CCCSC(C)C(=O)CC 62a_100000210303_100000742827 [0,2,0,0,0,0|0,0,0]=2 6788 B9R0.8 CCCSC(C)C(=O)CC 62a_100000742827_100000210303 [0,2,0,0,0,0|0,0,0]=2 6789 B9R0.8 CCCSC(C)C(=O)NC 62a_100000209862_100000210303 [0,2,0,0,0,0|1,0,0]=3 6790 B9R0.8 CCCSC(C)C(=O)NC 62a_100000210303_100000731044 [0,2,0,0,0,0|1,0,0]=3 6791 B9R0.8 CCCSC(C)C(=O)OC 62a_100000210303_100000211248 [0,2,0,0,0,0|1,0,0]=3 6792 B9R0.8 CCCSC(C)C(=O)OC 62a_100000211248_100000210303 [0,2,0,0,0,0|1,0,0]=3 6793 B9R0.8 CCCSC(F)C(=O)NC 62a_100000210303_100009813575 [0,2,0,0,0,0|1,0,0]=3 6794 B9R0.8 CCCSC(F)C(=O)NC 62a_100009813575_100000210303 [0,2,0,0,0,0|1,0,0]=3 6795 B9R0.8 CCN(C)C(=O)CCC#N 11a_100000225621_100011934036 [0,2,0,0,0,0|1,0,1]=4 6796 B9R0.8 CCN(C)C(=O)CCC#N 1626a_100000225621_100011934036 [0,2,0,0,0,0|1,0,1]=4 6797 B9R0.8 CCN(C)C(=O)CCC#N 240690a_100000225621_100011934036 [0,2,0,0,0,0|1,0,1]=4 6798 B9R0.8 CCN(C)C(=O)CCC#N 527a_100000225621_100011934036 [0,2,0,0,0,0|1,0,1]=4 6799 B9R0.8 CCN(C)C(=O)CCOC 11a_100000225621_100000749529 [0,2,0,0,0,0|1,0,0]=3 6800 B9R0.8 CCN(C)C(=O)CCOC 1626a_100000225621_100000749529 [0,2,0,0,0,0|1,0,0]=3 6801 B9R0.8 CCN(C)C(=O)CCOC 240690a_100000225621_100000749529 [0,2,0,0,0,0|1,0,0]=3 6802 B9R0.8 CCN(C)C(=O)CCOC 527a_100000225621_100000749529 [0,2,0,0,0,0|1,0,0]=3 6803 B9R0.8 CCN(C)C(=O)CCSC 11a_100000225621_100000174002 [0,2,0,0,0,0|1,0,0]=3 6804 B9R0.8 CCN(C)C(=O)CCSC 1626a_100000225621_100000174002 [0,2,0,0,0,0|1,0,0]=3 6805 B9R0.8 CCN(C)C(=O)CCSC 240690a_100000225621_100000174002 [0,2,0,0,0,0|1,0,0]=3 6806 B9R0.8 CCN(C)C(=O)CCSC 527a_100000225621_100000174002 [0,2,0,0,0,0|1,0,0]=3 6807 B9R0.8 CCN(C)C(=O)CSCF 62a_100000738999_100015361967 [0,2,0,0,0,0|2,0,0]=4 6808 B9R0.8 CCN(C)C(=O)CSCF 62a_100015361967_100000738999 [0,2,0,0,0,0|2,0,0]=4 6809 B9R0.8 CCN(C)C(=O)NCCF 273464a_100000724931_100000225621 [0,2,0,0,0,0|2,0,0]=4 6810 B9R0.8 CCN(C)C(=O)NCCO 273464a_100000210304_100000225621 [0,2,0,0,0,0|2,0,0]=4 6811 B9R0.8 CCNCC(=O)N(C)CC 2230a_100015525214_100000738999 [0,2,0,0,0,0|1,0,0]=3 6812 B9R0.8 CCNCC(=O)N(C)OC 2230a_100015207273_100000210202 [0,2,0,0,0,0|2,0,0]=4 6813 B9R0.8 CCNCC(=O)N(C)OC 2230a_100015525214_100000764215 [0,2,0,0,0,0|2,0,0]=4 6814 B9R0.8 CCNCC(C)C(=O)NC 2230a_100015187722_100000210202 [0,2,0,0,0,0|1,0,0]=3 6815 B9R0.8 CCNCC(C)C(=O)NC 34a_100015187722_100000210202 [0,2,0,0,0,0|1,0,0]=3 6816 B9R0.8 CCNNC(=O)C(C)C#N 22a_100000756455_100000753662 [0,2,0,0,0,0|2,0,0]=4 6817 B9R0.8 CCNNC(=O)C(C)CC 22a_100000756455_100011192722 [0,2,0,0,0,0|2,0,0]=4 6818 B9R0.8 CCNNC(=O)C(C)OC 22a_100000756455_100000743197 [0,2,0,0,0,0|2,0,0]=4 6819 B9R0.8 CCNNC(=O)C(C)SC 22a_100000756455_100000149566 [0,2,0,0,0,0|2,0,0]=4 6820 B9R0.8 CCNNC(=O)C(O)CC 22a_100000756455_100011196387 [0,2,0,0,0,0|2,0,0]=4 6821 B9R0.8 CCNNC(=O)C(O)CO 22a_100000756455_100011215603 [0,2,0,0,0,0|2,0,0]=4 6822 B9R0.8 CCOCC(=O)C(=O)OC 34a_100121572206_100011610305 [0,2,0,0,0,0|1,0,1]=4 6823 B9R0.8 CCOCC(=O)C(C)C#N 1458a_100000211967_100000703298 [0,2,0,0,0,0|1,0,0]=3 6824 B9R0.8 CCOCC(=O)C(C)CC 1458a_100000211967_100000758301 [0,2,0,0,0,0|1,0,0]=3 6825 B9R0.8 CCOCC(=O)N(C)CC 11a_100000225621_100000211967 [0,2,0,0,0,0|1,0,0]=3 6826 B9R0.8 CCOCC(=O)N(C)CC 1626a_100000225621_100000211967 [0,2,0,0,0,0|1,0,0]=3 6827 B9R0.8 CCOCC(=O)N(C)CC 240690a_100000225621_100000211967 [0,2,0,0,0,0|1,0,0]=3 6828 B9R0.8 CCOCC(=O)N(C)CC 34a_100121572206_100000738999 [0,2,0,0,0,0|1,0,0]=3 6829 B9R0.8 CCOCC(=O)N(C)CC 527a_100000225621_100000211967 [0,2,0,0,0,0|1,0,0]=3 6830 B9R0.8 CCOCC(C)C(=O)OC 34a_100000749362_100000210202 [0,2,0,0,0,0|1,0,0]=3 6831 B9R0.8 CCOCC(C)C(=O)OC 34a_100121572206_100000698445 [0,2,0,0,0,0|1,0,0]=3 6832 B9R0.8 CCOCC(C)C(=O)OC 7a_100000749362_100000210202 [0,2,0,0,0,0|1,0,0]=3 6833 B9R0.8 CCOCC(C)N(C)CC 7a_100000732741_100000210202 [0,2,0,0,0,0|2,0,0]=4 6834 B9R0.8 CCOCC(F)C(=O)OC 34a_200009849844_100000210202 [0,2,0,0,0,0|1,0,0]=3 6835 B9R0.8 CCOCC(N)C(=O)NN 34a_100016989258_100000210202 [0,2,0,0,0,0|2,0,0]=4 6836 B9R0.8 CCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210202 [0,2,0,0,0,0|1,0,0]=3 6837 B9R0.8 CCSCC(=O)C(=O)OC 62a_100000210202_100011610305 [0,2,0,0,0,0|1,0,1]=4 6838 B9R0.8 CCSCC(=O)C(=O)OC 62a_100011610305_100000210202 [0,2,0,0,0,0|1,0,1]=4 6839 B9R0.8 CCSCC(=O)C(C)C#N 1458a_100000230394_100000703298 [0,2,0,0,0,0|1,0,0]=3 6840 B9R0.8 CCSCC(=O)C(C)CC 1458a_100000230394_100000758301 [0,2,0,0,0,0|1,0,0]=3 6841 B9R0.8 CCSCC(=O)N(C)CC 11a_100000225621_100000230394 [0,2,0,0,0,0|1,0,0]=3 6842 B9R0.8 CCSCC(=O)N(C)CC 1626a_100000225621_100000230394 [0,2,0,0,0,0|1,0,0]=3 6843 B9R0.8 CCSCC(=O)N(C)CC 240690a_100000225621_100000230394 [0,2,0,0,0,0|1,0,0]=3 6844 B9R0.8 CCSCC(=O)N(C)CC 527a_100000225621_100000230394 [0,2,0,0,0,0|1,0,0]=3 6845 B9R0.8 CCSCC(=O)N(C)CC 62a_100000210202_100000738999 [0,2,0,0,0,0|1,0,0]=3 6846 B9R0.8 CCSCC(=O)N(C)CC 62a_100000738999_100000210202 [0,2,0,0,0,0|1,0,0]=3 6847 B9R0.8 CCSCC(=O)N(C)OC 62a_100000210202_100000764215 [0,2,0,0,0,0|2,0,0]=4 6848 B9R0.8 CCSCC(=O)N(C)OC 62a_100000764215_100000210202 [0,2,0,0,0,0|2,0,0]=4 6849 B9R0.8 CCSCC(C)C(=O)OC 62a_100000210202_100000698445 [0,2,0,0,0,0|1,0,0]=3 6850 B9R0.8 CCSCC(C)C(=O)OC 62a_100000698445_100000210202 [0,2,0,0,0,0|1,0,0]=3 6851 B9R0.8 CN(CCCO)C(=O)CO 240690a_100000213112_100000210174 [0,2,0,0,0,0|2,0,0]=4 6852 B9R0.8 CN(CCCO)C(=O)CO 527a_100000213112_100000210174 [0,2,0,0,0,0|2,0,0]=4 6853 B9R0.8 CNC(=O)C(=O)CCCF 1458a_100011218921_100011934791 [0,2,0,0,0,0|1,0,1]=4 6854 B9R0.8 CNC(=O)C(=O)CCCO 1458a_100011218921_100011215043 [0,2,0,0,0,0|1,0,1]=4 6855 B9R0.8 CNC(=O)C(=O)CCOC 1458a_100011218921_100000233755 [0,2,0,0,0,0|1,0,1]=4 6856 B9R0.8 CNC(=O)C(=O)CCSC 1458a_100011218921_100000751147 [0,2,0,0,0,0|1,0,1]=4 6857 B9R0.8 CNC(=O)C(C)CNCF 34a_100015187722_100015361967 [0,2,0,0,0,0|2,0,0]=4 6858 B9R0.8 CNC(=O)C(C)NCCF 34a_100000724931_100000731044 [0,2,0,0,0,0|2,0,0]=4 6859 B9R0.8 CNC(=O)C(C)NCCO 2230a_100016997473_100000731044 [0,2,0,0,0,0|2,0,0]=4 6860 B9R0.8 CNC(=O)C(C)NCCO 34a_100016990907_100000731044 [0,2,0,0,0,0|2,0,0]=4 6861 B9R0.8 CNC(=O)C(C)OCCBr 34a_100000211926_100000731044 [0,2,0,0,0,0|2,0,0]=4 6862 B9R0.8 CNC(=O)C(C)OCCN 34a_100000210304_100000731044 [0,2,0,0,0,0|2,0,0]=4 6863 B9R0.8 CNC(=O)C(C)SCCF 62a_100000209862_100011217306 [0,2,0,0,0,0|2,0,0]=4 6864 B9R0.8 CNC(=O)C(C)SCCF 62a_100011217306_100000731044 [0,2,0,0,0,0|2,0,0]=4 6865 B9R0.8 CNC(=O)C(C)SCCO 62a_100000209862_100000211926 [0,2,0,0,0,0|2,0,0]=4 6866 B9R0.8 CNC(=O)C(C)SCCO 62a_100000211926_100000731044 [0,2,0,0,0,0|2,0,0]=4 6867 B9R0.8 CNC(=O)C(C)SCOC 62a_100000209862_100000766300 [0,2,0,0,0,0|2,0,0]=4 6868 B9R0.8 CNC(=O)C(C)SCOC 62a_100000766300_100000731044 [0,2,0,0,0,0|2,0,0]=4 6869 B9R0.8 CNC(=O)C(C)SCSC 62a_100000209862_100011218213 [0,2,0,0,0,0|2,0,0]=4 6870 B9R0.8 CNC(=O)C(C)SCSC 62a_100011218213_100000731044 [0,2,0,0,0,0|2,0,0]=4 6871 B9R0.8 CNC(=O)C(F)NCCF 34a_100000724931_100009813575 [0,2,0,0,0,0|2,0,0]=4 6872 B9R0.8 CNC(=O)C(F)NCCO 2230a_100016997473_100009813575 [0,2,0,0,0,0|2,0,0]=4 6873 B9R0.8 CNC(=O)C(F)NCCO 34a_100016990907_100009813575 [0,2,0,0,0,0|2,0,0]=4 6874 B9R0.8 CNC(=O)C(F)OCCBr 34a_100000211926_100009813575 [0,2,0,0,0,0|2,0,0]=4 6875 B9R0.8 CNC(=O)C(F)OCCN 34a_100000210304_100009813575 [0,2,0,0,0,0|2,0,0]=4 6876 B9R0.8 CNC(=O)C(F)SCCF 62a_100009813575_100011217306 [0,2,0,0,0,0|2,0,0]=4 6877 B9R0.8 CNC(=O)C(F)SCCF 62a_100011217306_100009813575 [0,2,0,0,0,0|2,0,0]=4 6878 B9R0.8 CNC(=O)C(F)SCCO 62a_100000211926_100009813575 [0,2,0,0,0,0|2,0,0]=4 6879 B9R0.8 CNC(=O)C(F)SCCO 62a_100009813575_100000211926 [0,2,0,0,0,0|2,0,0]=4 6880 B9R0.8 CNC(=O)C(F)SCOC 62a_100000766300_100009813575 [0,2,0,0,0,0|2,0,0]=4 6881 B9R0.8 CNC(=O)C(F)SCOC 62a_100009813575_100000766300 [0,2,0,0,0,0|2,0,0]=4 6882 B9R0.8 CNC(=O)C(F)SCSC 62a_100009813575_100011218213 [0,2,0,0,0,0|2,0,0]=4 6883 B9R0.8 CNC(=O)C(F)SCSC 62a_100011218213_100009813575 [0,2,0,0,0,0|2,0,0]=4 6884 B9R0.8 CNC(=O)C(O)CCSC 240690a_100102657272_100000685904 [0,2,0,0,0,0|1,0,0]=3 6885 B9R0.8 CNC(=O)N(C)CCCO 2708a_100102657272_100000213112 [0,2,0,0,0,0|2,0,0]=4 6886 B9R0.8 CNC(=O)N(C)CCCO 273464a_100102657272_100000213112 [0,2,0,0,0,0|2,0,0]=4 6887 B9R0.8 CNC(=O)N(C)CCOC 2708a_100102657272_100000743101 [0,2,0,0,0,0|2,0,0]=4 6888 B9R0.8 CNC(=O)N(C)CCOC 273464a_100102657272_100000743101 [0,2,0,0,0,0|2,0,0]=4 6889 B9R0.8 CNC(=O)N(C)CCSC 2708a_100102657272_100000686725 [0,2,0,0,0,0|2,0,0]=4 6890 B9R0.8 CNC(=O)N(C)CCSC 273464a_100102657272_100000686725 [0,2,0,0,0,0|2,0,0]=4 6891 B9R0.8 CNC(=O)[C@@H](C)NCCF 2230a_100000684985_100011217306 [0,2,0,0,0,0|2,0,0]=4 6892 B9R0.8 CNC(=O)[C@@H](C)NCCF 34a_100000684985_100011217306 [0,2,0,0,0,0|2,0,0]=4 6893 B9R0.8 CNC(=O)[C@@H](C)NCCO 2230a_100000684985_100000211926 [0,2,0,0,0,0|2,0,0]=4 6894 B9R0.8 CNC(=O)[C@@H](C)NCCO 34a_100000684985_100000211926 [0,2,0,0,0,0|2,0,0]=4 6895 B9R0.8 CNC(=O)[C@@H](C)NCOC 2230a_100000684985_100000766300 [0,2,0,0,0,0|2,0,0]=4 6896 B9R0.8 CNC(=O)[C@@H](C)NCSC 2230a_100000684985_100011218213 [0,2,0,0,0,0|2,0,0]=4 6897 B9R0.8 CNC(=O)[C@@H](C)NCSC 34a_100000684985_100011218213 [0,2,0,0,0,0|2,0,0]=4 6898 B9R0.8 CNCCC(C)C(=O)OC 2230a_106832991635_100000034942 [0,2,0,0,0,0|1,0,0]=3 6899 B9R0.8 CNCCC(C)C(=O)OC 34a_100102657272_100000034942 [0,2,0,0,0,0|1,0,0]=3 6900 B9R0.8 CNCCC(C)C(=O)OC 7a_106832991635_100000034942 [0,2,0,0,0,0|1,0,0]=3 6901 B9R0.8 COC(=O)C(C)CCSC 62a_100000034942_200000210301 [0,2,0,0,0,0|1,0,0]=3 6902 B9R0.8 COC(=O)C(C)CCSC 62a_200000210301_100000034942 [0,2,0,0,0,0|1,0,0]=3 6903 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_100000034942_200025704644 [0,2,0,0,0,0|1,0,0]=3 6904 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_200025704644_100000034942 [0,2,0,0,0,0|1,0,0]=3 6905 B9R0.8 COC(=O)C(C)COCF 34a_100000749362_100015361967 [0,2,0,0,0,0|2,0,0]=4 6906 B9R0.8 COC(=O)C(C)COCF 7a_100000749362_100015361967 [0,2,0,0,0,0|2,0,0]=4 6907 B9R0.8 COC(=O)C(C)CSCF 62a_100000698445_100015361967 [0,2,0,0,0,0|2,0,0]=4 6908 B9R0.8 COC(=O)C(C)CSCF 62a_100015361967_100000698445 [0,2,0,0,0,0|2,0,0]=4 6909 B9R0.8 COC(=O)C(C)NCCF 34a_100000724931_100000211248 [0,2,0,0,0,0|2,0,0]=4 6910 B9R0.8 COC(=O)C(C)NCCO 2230a_100016997473_100000211248 [0,2,0,0,0,0|2,0,0]=4 6911 B9R0.8 COC(=O)C(C)NCCO 34a_100016990907_100000211248 [0,2,0,0,0,0|2,0,0]=4 6912 B9R0.8 COC(=O)C(C)OCCBr 34a_100000211926_100000211248 [0,2,0,0,0,0|2,0,0]=4 6913 B9R0.8 COC(=O)C(C)OCCF 34a_100011215400_100011217306 [0,2,0,0,0,0|2,0,0]=4 6914 B9R0.8 COC(=O)C(C)OCCN 34a_100000210304_100000211248 [0,2,0,0,0,0|2,0,0]=4 6915 B9R0.8 COC(=O)C(C)OCCO 34a_100011215400_100000211926 [0,2,0,0,0,0|2,0,0]=4 6916 B9R0.8 COC(=O)C(C)OCSC 34a_100011215400_100011218213 [0,2,0,0,0,0|2,0,0]=4 6917 B9R0.8 COC(=O)C(C)SCCF 62a_100000211248_100011217306 [0,2,0,0,0,0|2,0,0]=4 6918 B9R0.8 COC(=O)C(C)SCCF 62a_100011217306_100000211248 [0,2,0,0,0,0|2,0,0]=4 6919 B9R0.8 COC(=O)C(C)SCCO 62a_100000211248_100000211926 [0,2,0,0,0,0|2,0,0]=4 6920 B9R0.8 COC(=O)C(C)SCCO 62a_100000211926_100000211248 [0,2,0,0,0,0|2,0,0]=4 6921 B9R0.8 COC(=O)C(C)SCSC 62a_100000211248_100011218213 [0,2,0,0,0,0|2,0,0]=4 6922 B9R0.8 COC(=O)C(C)SCSC 62a_100011218213_100000211248 [0,2,0,0,0,0|2,0,0]=4 6923 B9R0.8 COC(=O)C(F)COCF 34a_200009849844_100015361967 [0,2,0,0,0,0|2,0,0]=4 6924 B9R0.8 COC(=O)[C@H](N)COCF 34a_100000003586_100015361967 [0,2,0,0,0,0|2,0,0]=4 6925 B9R0.8 COC(C)C(=O)CCC#N 1458a_100000743197_100011215226 [0,2,0,0,0,0|1,0,1]=4 6926 B9R0.8 COC(C)C(=O)CCCF 1458a_100000743197_100011934791 [0,2,0,0,0,0|1,0,0]=3 6927 B9R0.8 COC(C)C(=O)CCCO 1458a_100000743197_100011215043 [0,2,0,0,0,0|1,0,0]=3 6928 B9R0.8 COC(C)C(=O)CCSC 1458a_100000743197_100000751147 [0,2,0,0,0,0|1,0,0]=3 6929 B9R0.8 COC(C)C(=O)NCCF 11a_100000724931_100000743197 [0,2,0,0,0,0|2,0,0]=4 6930 B9R0.8 COC(C)C(=O)NCCF 1626a_100000724931_100000743197 [0,2,0,0,0,0|2,0,0]=4 6931 B9R0.8 COC(C)C(=O)NCCF 240690a_100000724931_100000743197 [0,2,0,0,0,0|2,0,0]=4 6932 B9R0.8 COC(C)C(=O)NCCF 527a_100000724931_100000743197 [0,2,0,0,0,0|2,0,0]=4 6933 B9R0.8 COC(C)C(=O)NCCO 240690a_100000210304_100000743197 [0,2,0,0,0,0|2,0,0]=4 6934 B9R0.8 COC(C)C(=O)NCCO 527a_100000210304_100000743197 [0,2,0,0,0,0|2,0,0]=4 6935 B9R0.8 COCCC(=O)C(C)C#N 1458a_100000749529_100000703298 [0,2,0,0,0,0|1,0,0]=3 6936 B9R0.8 COCCC(=O)C(C)C#N 1458a_100000753662_100000233755 [0,2,0,0,0,0|1,0,0]=3 6937 B9R0.8 COCCC(=O)C(C)OC 1458a_100000743197_100000233755 [0,2,0,0,0,0|1,0,0]=3 6938 B9R0.8 COCCC(=O)C(C)SC 1458a_100000149566_100000233755 [0,2,0,0,0,0|1,0,0]=3 6939 B9R0.8 COCCC(=O)C(O)CO 1458a_100011215603_100000233755 [0,2,0,0,0,0|1,0,0]=3 6940 B9R0.8 COCCC(C)C(=O)OC 34a_100138415774_100000034942 [0,2,0,0,0,0|1,0,0]=3 6941 B9R0.8 COCCN(C)C(=O)CO 240690a_100000743101_100000210174 [0,2,0,0,0,0|2,0,0]=4 6942 B9R0.8 COCCN(C)C(=O)CO 527a_100000743101_100000210174 [0,2,0,0,0,0|2,0,0]=4 6943 B9R0.8 COCSC(C)C(=O)OC 62a_100000211248_100000766300 [0,2,0,0,0,0|2,0,0]=4 6944 B9R0.8 COCSC(C)C(=O)OC 62a_100000766300_100000211248 [0,2,0,0,0,0|2,0,0]=4 6945 B9R0.8 CSC(C)C(=O)CCC#N 1458a_100000149566_100011215226 [0,2,0,0,0,0|1,0,1]=4 6946 B9R0.8 CSC(C)C(=O)CCCF 1458a_100000149566_100011934791 [0,2,0,0,0,0|1,0,0]=3 6947 B9R0.8 CSC(C)C(=O)CCCO 1458a_100000149566_100011215043 [0,2,0,0,0,0|1,0,0]=3 6948 B9R0.8 CSC(C)C(=O)NCCF 11a_100000724931_100000149566 [0,2,0,0,0,0|2,0,0]=4 6949 B9R0.8 CSC(C)C(=O)NCCF 1626a_100000724931_100000149566 [0,2,0,0,0,0|2,0,0]=4 6950 B9R0.8 CSC(C)C(=O)NCCF 240690a_100000724931_100000149566 [0,2,0,0,0,0|2,0,0]=4 6951 B9R0.8 CSC(C)C(=O)NCCF 527a_100000724931_100000149566 [0,2,0,0,0,0|2,0,0]=4 6952 B9R0.8 CSC(C)C(=O)NCCO 240690a_100000210304_100000149566 [0,2,0,0,0,0|2,0,0]=4 6953 B9R0.8 CSC(C)C(=O)NCCO 527a_100000210304_100000149566 [0,2,0,0,0,0|2,0,0]=4 6954 B9R0.8 CSCCC(=O)C(C)C#N 1458a_100000174002_100000703298 [0,2,0,0,0,0|1,0,0]=3 6955 B9R0.8 CSCCC(=O)C(C)C#N 1458a_100000753662_100000751147 [0,2,0,0,0,0|1,0,0]=3 6956 B9R0.8 CSCCC(=O)C(C)SC 1458a_100000149566_100000751147 [0,2,0,0,0,0|1,0,0]=3 6957 B9R0.8 CSCCC(=O)C(O)CO 1458a_100011215603_100000751147 [0,2,0,0,0,0|1,0,0]=3 6958 B9R0.8 CSCCC(O)C(=O)CF 1458a_100000685904_100015361967 [0,2,0,0,0,0|1,0,0]=3 6959 B9R0.8 CSCCN(C)C(=O)CO 240690a_100000686725_100000210174 [0,2,0,0,0,0|2,0,0]=4 6960 B9R0.8 CSCCN(C)C(=O)CO 527a_100000686725_100000210174 [0,2,0,0,0,0|2,0,0]=4 6961 B9R0.8 N#CCCC(=O)C(O)CO 1458a_100011215603_100011215226 [0,2,0,0,0,0|1,0,1]=4 6962 B9R0.8 O=C(CCCF)C(O)CO 1458a_100011215603_100011934791 [0,2,0,0,0,0|1,0,0]=3 6963 B9R0.8 O=C(CCCO)C(O)CO 1458a_100011215603_100011215043 [0,2,0,0,0,0|1,0,0]=3 6964 B9R0.8 O=C(NCCF)C(O)CO 240690a_100000724931_100011215603 [0,2,0,0,0,0|2,0,0]=4 6965 B9R0.8 O=C(NCCO)C(O)CO 240690a_100000210304_100011215603 [0,2,0,0,0,0|2,0,0]=4 6966 B9R0.18 C#CCCC(=O)C#CCC 1458a_100011827653_100000753159 [0,2,0,0,0,0|0,0,2]=4 6967 B9R0.18 C#CCCC(=O)C/C=C/C 1458a_100000692101_100102629194 [0,2,0,0,0,0|0,0,2]=4 6968 B9R0.18 C#CCCC(=O)C=CCC 1458a_100000212282_100000753159 [0,2,0,0,0,0|0,0,2]=4 6969 B9R0.18 C#CCCC(=O)CC#CC 1458a_100000692101_100000748600 [0,2,0,0,0,0|0,0,2]=4 6970 B9R0.18 C#CCCC(=O)CC=CC 1458a_100000692101_100000070051 [0,2,0,0,0,0|0,0,2]=4 6971 B9R0.18 C#CCCC(=O)CC=CC 1458a_100121576822_100000753159 [0,2,0,0,0,0|0,0,2]=4 6972 B9R0.18 C#CCCC(=O)CCC#C 1458a_100000692101_100000753159 [0,2,0,0,0,0|0,0,2]=4 6973 B9R0.18 C#CCCC(=O)CCC#N 1458a_100000692101_100011215226 [0,2,0,0,0,0|0,0,2]=4 6974 B9R0.18 C#CCCC(=O)CCC#N 1458a_100011934036_100000753159 [0,2,0,0,0,0|0,0,2]=4 6975 B9R0.18 C#CCCC(=O)CCC=C 1458a_100000692101_100000754431 [0,2,0,0,0,0|0,0,2]=4 6976 B9R0.18 C#CCCC(=O)CCC=C 1458a_100000749702_100000753159 [0,2,0,0,0,0|0,0,2]=4 6977 B9R0.18 C#CCCC(=O)CCCC 1458a_100000210183_100000753159 [0,2,0,0,0,0|0,0,0]=2 6978 B9R0.18 C#CCCC(=O)CCCC 1458a_100000692101_100000210211 [0,2,0,0,0,0|0,0,0]=2 6979 B9R0.18 C#CCCC(=O)CCCF 1458a_100000692101_100011934791 [0,2,0,0,0,0|1,0,0]=3 6980 B9R0.18 C#CCCC(=O)CCCO 1458a_100000692101_100011215043 [0,2,0,0,0,0|1,0,0]=3 6981 B9R0.18 C#CCCC(=O)CCOC 1458a_100000692101_100000233755 [0,2,0,0,0,0|1,0,0]=3 6982 B9R0.18 C#CCCC(=O)CCOC 1458a_100000749529_100000753159 [0,2,0,0,0,0|1,0,0]=3 6983 B9R0.18 C#CCCC(=O)CCOC 34a_100011064465_200000210301 [0,2,0,0,0,0|1,0,0]=3 6984 B9R0.18 C#CCCC(=O)CCOC 7a_100011064465_200000210301 [0,2,0,0,0,0|1,0,0]=3 6985 B9R0.18 C#CCCC(=O)CCO[13CH3] 34a_100011064465_200025704644 [0,2,0,0,0,0|1,0,0]=3 6986 B9R0.18 C#CCCC(=O)CCO[13CH3] 7a_100011064465_200025704644 [0,2,0,0,0,0|1,0,0]=3 6987 B9R0.18 C#CCCC(=O)CCSC 1458a_100000174002_100000753159 [0,2,0,0,0,0|1,0,0]=3 6988 B9R0.18 C#CCCC(=O)CCSC 1458a_100000692101_100000751147 [0,2,0,0,0,0|1,0,0]=3 6989 B9R0.18 C#CCCC(=O)COCC 1458a_100000211967_100000753159 [0,2,0,0,0,0|1,0,0]=3 6990 B9R0.18 C#CCCC(=O)CSCC 1458a_100000230394_100000753159 [0,2,0,0,0,0|1,0,0]=3 6991 B9R0.18 C#CCCC(=O)NCCC 11a_100020643023_100000692101 [0,2,0,0,0,0|1,0,0]=3 6992 B9R0.18 C#CCCC(=O)NCCC 1626a_100020643023_100000692101 [0,2,0,0,0,0|1,0,0]=3 6993 B9R0.18 C#CCCC(=O)NCCC 240690a_100020643023_100000692101 [0,2,0,0,0,0|1,0,0]=3 6994 B9R0.18 C#CCCC(=O)NCCC 527a_100020643023_100000692101 [0,2,0,0,0,0|1,0,0]=3 6995 B9R0.18 C#CCCC(=O)NCCF 11a_100000724931_100000692101 [0,2,0,0,0,0|0,0,2]=4 6996 B9R0.18 C#CCCC(=O)NCCF 1626a_100000724931_100000692101 [0,2,0,0,0,0|0,0,2]=4 6997 B9R0.18 C#CCCC(=O)NCCF 240690a_100000724931_100000692101 [0,2,0,0,0,0|0,0,2]=4 6998 B9R0.18 C#CCCC(=O)NCCF 527a_100000724931_100000692101 [0,2,0,0,0,0|0,0,2]=4 6999 B9R0.18 C#CCCC(=O)NCCO 240690a_100000210304_100000692101 [0,2,0,0,0,0|0,0,2]=4 7000 B9R0.18 C#CCCC(=O)NCCO 527a_100000210304_100000692101 [0,2,0,0,0,0|0,0,2]=4 7001 B9R0.18 C#CCCC(=O)NNCC 22a_100000756455_100000692101 [0,2,0,0,0,0|0,0,2]=4 7002 B9R0.18 C#CCCN(C)CCCC 2230a_100000207549_100000688953 [0,2,0,0,0,0|2,0,0]=4 7003 B9R0.18 C#CCCN(C)CCCC 269982a_100000207549_100000730999 [0,2,0,0,0,0|2,0,0]=4 7004 B9R0.18 C#CCNC(=O)CCCC 11a_100000212058_100000210183 [0,2,0,0,0,0|0,0,1]=3 7005 B9R0.18 C#CCNC(=O)CCCC 1626a_100000212058_100000210183 [0,2,0,0,0,0|0,0,1]=3 7006 B9R0.18 C#CCNC(=O)CCCC 240690a_100000212058_100000210183 [0,2,0,0,0,0|0,0,1]=3 7007 B9R0.18 C#CCNC(=O)CCCC 527a_100000212058_100000210183 [0,2,0,0,0,0|0,0,1]=3 7008 B9R0.18 C#CCNC(=O)CCOC 11a_100000212058_100000749529 [0,2,0,0,0,0|1,0,1]=4 7009 B9R0.18 C#CCNC(=O)CCOC 1626a_100000212058_100000749529 [0,2,0,0,0,0|1,0,1]=4 7010 B9R0.18 C#CCNC(=O)CCOC 240690a_100000212058_100000749529 [0,2,0,0,0,0|1,0,1]=4 7011 B9R0.18 C#CCNC(=O)CCOC 527a_100000212058_100000749529 [0,2,0,0,0,0|1,0,1]=4 7012 B9R0.18 C#CCNC(=O)CCSC 11a_100000212058_100000174002 [0,2,0,0,0,0|1,0,1]=4 7013 B9R0.18 C#CCNC(=O)CCSC 1626a_100000212058_100000174002 [0,2,0,0,0,0|1,0,1]=4 7014 B9R0.18 C#CCNC(=O)CCSC 240690a_100000212058_100000174002 [0,2,0,0,0,0|1,0,1]=4 7015 B9R0.18 C#CCNC(=O)CCSC 527a_100000212058_100000174002 [0,2,0,0,0,0|1,0,1]=4 7016 B9R0.18 C#CCNC(=O)CNCC 2230a_100000747989_100000210202 [0,2,0,0,0,0|1,0,1]=4 7017 B9R0.18 C#CCNC(=O)CNCC 34a_100000747989_100000210202 [0,2,0,0,0,0|1,0,1]=4 7018 B9R0.18 C#CCNC(=O)COCC 11a_100000212058_100000211967 [0,2,0,0,0,0|1,0,1]=4 7019 B9R0.18 C#CCNC(=O)COCC 1626a_100000212058_100000211967 [0,2,0,0,0,0|1,0,1]=4 7020 B9R0.18 C#CCNC(=O)COCC 240690a_100000212058_100000211967 [0,2,0,0,0,0|1,0,1]=4 7021 B9R0.18 C#CCNC(=O)COCC 527a_100000212058_100000211967 [0,2,0,0,0,0|1,0,1]=4 7022 B9R0.18 C#CCNC(=O)CSCC 11a_100000212058_100000230394 [0,2,0,0,0,0|1,0,1]=4 7023 B9R0.18 C#CCNC(=O)CSCC 1626a_100000212058_100000230394 [0,2,0,0,0,0|1,0,1]=4 7024 B9R0.18 C#CCNC(=O)CSCC 240690a_100000212058_100000230394 [0,2,0,0,0,0|1,0,1]=4 7025 B9R0.18 C#CCNC(=O)CSCC 527a_100000212058_100000230394 [0,2,0,0,0,0|1,0,1]=4 7026 B9R0.18 C#CCNC(=O)NCCC 2708a_100000212058_100020643023 [0,2,0,0,0,0|1,0,1]=4 7027 B9R0.18 C#CCNC(=O)NCCC 2708a_100020643023_100000212058 [0,2,0,0,0,0|1,0,1]=4 7028 B9R0.18 C#CCNC(=O)NCCC 273464a_100000212058_100020643023 [0,2,0,0,0,0|1,0,1]=4 7029 B9R0.18 C#CCNC(=O)NCCC 273464a_100020643023_100000212058 [0,2,0,0,0,0|1,0,1]=4 7030 B9R0.18 C#CCNC(=O)NCCC 512a_100000212058_100020643023 [0,2,0,0,0,0|1,0,1]=4 7031 B9R0.18 C#CCNC(=O)NCCC 512a_100020643023_100000212058 [0,2,0,0,0,0|1,0,1]=4 7032 B9R0.18 C/C=C/CC(=O)C#CCC 1458a_100011827653_100102629194 [0,2,0,0,0,0|0,0,2]=4 7033 B9R0.18 C/C=C/CC(=O)C=CCC 1458a_100000212282_100102629194 [0,2,0,0,0,0|0,0,2]=4 7034 B9R0.18 C/C=C/CC(=O)CCC#N 1458a_100011934036_100102629194 [0,2,0,0,0,0|0,0,2]=4 7035 B9R0.18 C/C=C/CC(=O)CCCC 1458a_100000210183_100102629194 [0,2,0,0,0,0|0,0,0]=2 7036 B9R0.18 C/C=C/CC(=O)CCOC 1458a_100000749529_100102629194 [0,2,0,0,0,0|1,0,0]=3 7037 B9R0.18 C/C=C/CC(=O)CCSC 1458a_100000174002_100102629194 [0,2,0,0,0,0|1,0,0]=3 7038 B9R0.18 C/C=C/CC(=O)COCC 1458a_100000211967_100102629194 [0,2,0,0,0,0|1,0,0]=3 7039 B9R0.18 C/C=C/CC(=O)CSCC 1458a_100000230394_100102629194 [0,2,0,0,0,0|1,0,0]=3 7040 B9R0.18 C/C=C/CN(C)CCCC 269982a_100000207549_100102629194 [0,2,0,0,0,0|2,0,0]=4 7041 B9R0.18 C=C(COCC)OCOC 34a_100121572206_100000042856 [0,2,0,0,0,0|2,0,0]=4 7042 B9R0.18 C=C(CSCC)OCOC 62a_100000042856_100000210202 [0,2,0,0,0,0|2,0,0]=4 7043 B9R0.18 C=C(CSCC)OCOC 62a_100000210202_100000042856 [0,2,0,0,0,0|2,0,0]=4 7044 B9R0.18 C=CC=CC(=O)CCCC 1458a_100016291481_100000210211 [0,2,0,0,0,0|0,0,2]=4 7045 B9R0.18 C=CCCC(=O)C#CCC 1458a_100011827653_100000754431 [0,2,0,0,0,0|0,0,2]=4 7046 B9R0.18 C=CCCC(=O)C/C=C/C 1458a_100000749702_100102629194 [0,2,0,0,0,0|0,0,2]=4 7047 B9R0.18 C=CCCC(=O)C=CCC 1458a_100000212282_100000754431 [0,2,0,0,0,0|0,0,2]=4 7048 B9R0.18 C=CCCC(=O)CC#CC 1458a_100000749702_100000748600 [0,2,0,0,0,0|0,0,2]=4 7049 B9R0.18 C=CCCC(=O)CC=CC 1458a_100000749702_100000070051 [0,2,0,0,0,0|0,0,2]=4 7050 B9R0.18 C=CCCC(=O)CC=CC 1458a_100121576822_100000754431 [0,2,0,0,0,0|0,0,2]=4 7051 B9R0.18 C=CCCC(=O)CCC#N 1458a_100000749702_100011215226 [0,2,0,0,0,0|0,0,2]=4 7052 B9R0.18 C=CCCC(=O)CCC#N 1458a_100011934036_100000754431 [0,2,0,0,0,0|0,0,2]=4 7053 B9R0.18 C=CCCC(=O)CCC=C 1458a_100000749702_100000754431 [0,2,0,0,0,0|0,0,2]=4 7054 B9R0.18 C=CCCC(=O)CCCC 1458a_100000210183_100000754431 [0,2,0,0,0,0|0,0,0]=2 7055 B9R0.18 C=CCCC(=O)CCCC 1458a_100000749702_100000210211 [0,2,0,0,0,0|0,0,0]=2 7056 B9R0.18 C=CCCC(=O)CCCF 1458a_100000749702_100011934791 [0,2,0,0,0,0|1,0,0]=3 7057 B9R0.18 C=CCCC(=O)CCCO 1458a_100000749702_100011215043 [0,2,0,0,0,0|1,0,0]=3 7058 B9R0.18 C=CCCC(=O)CCOC 1458a_100000749529_100000754431 [0,2,0,0,0,0|1,0,0]=3 7059 B9R0.18 C=CCCC(=O)CCOC 1458a_100000749702_100000233755 [0,2,0,0,0,0|1,0,0]=3 7060 B9R0.18 C=CCCC(=O)CCSC 1458a_100000174002_100000754431 [0,2,0,0,0,0|1,0,0]=3 7061 B9R0.18 C=CCCC(=O)CCSC 1458a_100000749702_100000751147 [0,2,0,0,0,0|1,0,0]=3 7062 B9R0.18 C=CCCC(=O)COCC 1458a_100000211967_100000754431 [0,2,0,0,0,0|1,0,0]=3 7063 B9R0.18 C=CCCC(=O)CSCC 1458a_100000230394_100000754431 [0,2,0,0,0,0|1,0,0]=3 7064 B9R0.18 C=CCCC(=O)NCCC 11a_100020643023_100000749702 [0,2,0,0,0,0|1,0,0]=3 7065 B9R0.18 C=CCCC(=O)NCCC 1626a_100020643023_100000749702 [0,2,0,0,0,0|1,0,0]=3 7066 B9R0.18 C=CCCC(=O)NCCC 240690a_100020643023_100000749702 [0,2,0,0,0,0|1,0,0]=3 7067 B9R0.18 C=CCCC(=O)NCCC 527a_100020643023_100000749702 [0,2,0,0,0,0|1,0,0]=3 7068 B9R0.18 C=CCCC(=O)NCCF 11a_100000724931_100000749702 [0,2,0,0,0,0|0,0,2]=4 7069 B9R0.18 C=CCCC(=O)NCCF 1626a_100000724931_100000749702 [0,2,0,0,0,0|0,0,2]=4 7070 B9R0.18 C=CCCC(=O)NCCF 240690a_100000724931_100000749702 [0,2,0,0,0,0|0,0,2]=4 7071 B9R0.18 C=CCCC(=O)NCCF 527a_100000724931_100000749702 [0,2,0,0,0,0|0,0,2]=4 7072 B9R0.18 C=CCCC(=O)NCCO 240690a_100000210304_100000749702 [0,2,0,0,0,0|0,0,2]=4 7073 B9R0.18 C=CCCC(=O)NCCO 527a_100000210304_100000749702 [0,2,0,0,0,0|0,0,2]=4 7074 B9R0.18 C=CCCC(=O)NNCC 22a_100000756455_100000749702 [0,2,0,0,0,0|0,0,2]=4 7075 B9R0.18 C=CCCN(C)CCCC 2230a_100000207549_100000754431 [0,2,0,0,0,0|2,0,0]=4 7076 B9R0.18 C=CCCN(C)CCCC 2230a_100020639649_100000210211 [0,2,0,0,0,0|2,0,0]=4 7077 B9R0.18 C=CCCN(C)CCCC 269982a_100000207549_100000754431 [0,2,0,0,0,0|2,0,0]=4 7078 B9R0.18 C=CCCN(C)CCCC 269982a_100020639649_100000210211 [0,2,0,0,0,0|2,0,0]=4 7079 B9R0.18 C=CCNC(=O)CCCC 1626a_100020586998_100000210183 [0,2,0,0,0,0|0,0,1]=3 7080 B9R0.18 C=CCNC(=O)CCCC 240690a_100020586998_100000210183 [0,2,0,0,0,0|0,0,1]=3 7081 B9R0.18 C=CCNC(=O)CCCC 527a_100020586998_100000210183 [0,2,0,0,0,0|0,0,1]=3 7082 B9R0.18 C=CCNC(=O)CCNC 2230a_106832991635_100011222895 [0,2,0,0,0,0|1,0,1]=4 7083 B9R0.18 C=CCNC(=O)CCNC 7a_106832991635_100011222895 [0,2,0,0,0,0|1,0,1]=4 7084 B9R0.18 C=CCNC(=O)CCOC 1626a_100020586998_100000749529 [0,2,0,0,0,0|1,0,1]=4 7085 B9R0.18 C=CCNC(=O)CCOC 240690a_100020586998_100000749529 [0,2,0,0,0,0|1,0,1]=4 7086 B9R0.18 C=CCNC(=O)CCOC 527a_100020586998_100000749529 [0,2,0,0,0,0|1,0,1]=4 7087 B9R0.18 C=CCNC(=O)CCSC 1626a_100020586998_100000174002 [0,2,0,0,0,0|1,0,1]=4 7088 B9R0.18 C=CCNC(=O)CCSC 240690a_100020586998_100000174002 [0,2,0,0,0,0|1,0,1]=4 7089 B9R0.18 C=CCNC(=O)CCSC 527a_100020586998_100000174002 [0,2,0,0,0,0|1,0,1]=4 7090 B9R0.18 C=CCNC(=O)CCSC 62a_100011222895_200000210301 [0,2,0,0,0,0|1,0,1]=4 7091 B9R0.18 C=CCNC(=O)CCSC 62a_200000210301_100011222895 [0,2,0,0,0,0|1,0,1]=4 7092 B9R0.18 C=CCNC(=O)CCS[13CH3] 62a_100011222895_200025704644 [0,2,0,0,0,0|1,0,1]=4 7093 B9R0.18 C=CCNC(=O)CCS[13CH3] 62a_200025704644_100011222895 [0,2,0,0,0,0|1,0,1]=4 7094 B9R0.18 C=CCNC(=O)CNCC 2230a_100015525214_100000183597 [0,2,0,0,0,0|1,0,1]=4 7095 B9R0.18 C=CCNC(=O)COCC 1626a_100020586998_100000211967 [0,2,0,0,0,0|1,0,1]=4 7096 B9R0.18 C=CCNC(=O)COCC 240690a_100020586998_100000211967 [0,2,0,0,0,0|1,0,1]=4 7097 B9R0.18 C=CCNC(=O)COCC 527a_100020586998_100000211967 [0,2,0,0,0,0|1,0,1]=4 7098 B9R0.18 C=CCNC(=O)CSCC 1626a_100020586998_100000230394 [0,2,0,0,0,0|1,0,1]=4 7099 B9R0.18 C=CCNC(=O)CSCC 240690a_100020586998_100000230394 [0,2,0,0,0,0|1,0,1]=4 7100 B9R0.18 C=CCNC(=O)CSCC 527a_100020586998_100000230394 [0,2,0,0,0,0|1,0,1]=4 7101 B9R0.18 C=CCNC(=O)CSCC 62a_100000183597_100000210202 [0,2,0,0,0,0|1,0,1]=4 7102 B9R0.18 C=CCNC(=O)CSCC 62a_100000210202_100000183597 [0,2,0,0,0,0|1,0,1]=4 7103 B9R0.18 C=CCNC(=O)NCCC 2708a_100020643023_100020586998 [0,2,0,0,0,0|1,0,1]=4 7104 B9R0.18 C=CCNC(=O)NCCC 273464a_100020586998_100020643023 [0,2,0,0,0,0|1,0,1]=4 7105 B9R0.18 C=CCNC(=O)NCCC 273464a_100020643023_100020586998 [0,2,0,0,0,0|1,0,1]=4 7106 B9R0.18 C=CCNC(=O)NCCC 512a_100020586998_100020643023 [0,2,0,0,0,0|1,0,1]=4 7107 B9R0.18 C=CCNC(=O)NCCC 512a_100020643023_100020586998 [0,2,0,0,0,0|1,0,1]=4 7108 B9R0.18 C=CCOC(=O)CNCC 2230a_100015525214_100000033060 [0,2,0,0,0,0|1,0,1]=4 7109 B9R0.18 C=CCOC(=O)COCC 34a_100121572206_100000033060 [0,2,0,0,0,0|1,0,1]=4 7110 B9R0.18 C=CCOC(=O)CSCC 62a_100000033060_100000210202 [0,2,0,0,0,0|1,0,1]=4 7111 B9R0.18 C=CCOC(=O)CSCC 62a_100000210202_100000033060 [0,2,0,0,0,0|1,0,1]=4 7112 B9R0.18 CC#CCC(=O)C#CCC 1458a_100011827653_100000748600 [0,2,0,0,0,0|0,0,2]=4 7113 B9R0.18 CC#CCC(=O)C=CCC 1458a_100000212282_100000748600 [0,2,0,0,0,0|0,0,2]=4 7114 B9R0.18 CC#CCC(=O)CC=CC 1458a_100121576822_100000748600 [0,2,0,0,0,0|0,0,2]=4 7115 B9R0.18 CC#CCC(=O)CCC#N 1458a_100011934036_100000748600 [0,2,0,0,0,0|0,0,2]=4 7116 B9R0.18 CC#CCC(=O)CCCC 1458a_100000210183_100000748600 [0,2,0,0,0,0|0,0,0]=2 7117 B9R0.18 CC#CCC(=O)CCOC 1458a_100000749529_100000748600 [0,2,0,0,0,0|1,0,0]=3 7118 B9R0.18 CC#CCC(=O)CCSC 1458a_100000174002_100000748600 [0,2,0,0,0,0|1,0,0]=3 7119 B9R0.18 CC#CCC(=O)COCC 1458a_100000211967_100000748600 [0,2,0,0,0,0|1,0,0]=3 7120 B9R0.18 CC#CCC(=O)CSCC 1458a_100000230394_100000748600 [0,2,0,0,0,0|1,0,0]=3 7121 B9R0.18 CC#CCN(C)CCCC 2230a_100000207549_100000748600 [0,2,0,0,0,0|2,0,0]=4 7122 B9R0.18 CC=CCC(=O)C#CCC 1458a_100011827653_100000070051 [0,2,0,0,0,0|0,0,2]=4 7123 B9R0.18 CC=CCC(=O)C/C=C/C 1458a_100121576822_100102629194 [0,2,0,0,0,0|0,0,2]=4 7124 B9R0.18 CC=CCC(=O)C=CCC 1458a_100000212282_100000070051 [0,2,0,0,0,0|0,0,2]=4 7125 B9R0.18 CC=CCC(=O)CC=CC 1458a_100121576822_100000070051 [0,2,0,0,0,0|0,0,2]=4 7126 B9R0.18 CC=CCC(=O)CCC#N 1458a_100011934036_100000070051 [0,2,0,0,0,0|0,0,2]=4 7127 B9R0.18 CC=CCC(=O)CCC#N 1458a_100121576822_100011215226 [0,2,0,0,0,0|0,0,2]=4 7128 B9R0.18 CC=CCC(=O)CCCC 1458a_100000210183_100000070051 [0,2,0,0,0,0|0,0,0]=2 7129 B9R0.18 CC=CCC(=O)CCCC 1458a_100121576822_100000210211 [0,2,0,0,0,0|0,0,0]=2 7130 B9R0.18 CC=CCC(=O)CCCF 1458a_100121576822_100011934791 [0,2,0,0,0,0|1,0,0]=3 7131 B9R0.18 CC=CCC(=O)CCCO 1458a_100121576822_100011215043 [0,2,0,0,0,0|1,0,0]=3 7132 B9R0.18 CC=CCC(=O)CCOC 1458a_100000749529_100000070051 [0,2,0,0,0,0|1,0,0]=3 7133 B9R0.18 CC=CCC(=O)CCOC 1458a_100121576822_100000233755 [0,2,0,0,0,0|1,0,0]=3 7134 B9R0.18 CC=CCC(=O)CCSC 1458a_100000174002_100000070051 [0,2,0,0,0,0|1,0,0]=3 7135 B9R0.18 CC=CCC(=O)CCSC 1458a_100121576822_100000751147 [0,2,0,0,0,0|1,0,0]=3 7136 B9R0.18 CC=CCC(=O)COCC 1458a_100000211967_100000070051 [0,2,0,0,0,0|1,0,0]=3 7137 B9R0.18 CC=CCC(=O)CSCC 1458a_100000230394_100000070051 [0,2,0,0,0,0|1,0,0]=3 7138 B9R0.18 CC=CCC(=O)NCCC 11a_100020643023_100121576822 [0,2,0,0,0,0|1,0,0]=3 7139 B9R0.18 CC=CCC(=O)NCCC 1626a_100020643023_100121576822 [0,2,0,0,0,0|1,0,0]=3 7140 B9R0.18 CC=CCC(=O)NCCC 240690a_100020643023_100121576822 [0,2,0,0,0,0|1,0,0]=3 7141 B9R0.18 CC=CCC(=O)NCCC 527a_100020643023_100121576822 [0,2,0,0,0,0|1,0,0]=3 7142 B9R0.18 CC=CCC(=O)NCCF 11a_100000724931_100121576822 [0,2,0,0,0,0|0,0,2]=4 7143 B9R0.18 CC=CCC(=O)NCCF 1626a_100000724931_100121576822 [0,2,0,0,0,0|0,0,2]=4 7144 B9R0.18 CC=CCC(=O)NCCF 240690a_100000724931_100121576822 [0,2,0,0,0,0|0,0,2]=4 7145 B9R0.18 CC=CCC(=O)NCCF 527a_100000724931_100121576822 [0,2,0,0,0,0|0,0,2]=4 7146 B9R0.18 CC=CCC(=O)NCCO 240690a_100000210304_100121576822 [0,2,0,0,0,0|0,0,2]=4 7147 B9R0.18 CC=CCC(=O)NCCO 527a_100000210304_100121576822 [0,2,0,0,0,0|0,0,2]=4 7148 B9R0.18 CC=CCC(=O)NNCC 22a_100000756455_100121576822 [0,2,0,0,0,0|0,0,2]=4 7149 B9R0.18 CC=CCN(C)CCCC 2230a_100000207549_100000070051 [0,2,0,0,0,0|2,0,0]=4 7150 B9R0.18 CC=NNC(=O)CCCC 4a_100000189769_200000210099 [0,2,0,0,0,0|0,0,1]=3 7151 B9R0.18 CC=NNC(=O)CCOC 4a_100011260505_200000210099 [0,2,0,0,0,0|1,0,1]=4 7152 B9R0.18 CC=NNC(=O)COCC 4a_100000216846_200000210099 [0,2,0,0,0,0|1,0,1]=4 7153 B9R0.18 CCC#CC(=O)CCC#N 1458a_100011827653_100011215226 [0,2,0,0,0,0|0,0,2]=4 7154 B9R0.18 CCC#CC(=O)CCCC 1458a_100011827653_100000210211 [0,2,0,0,0,0|0,0,0]=2 7155 B9R0.18 CCC#CC(=O)CCCF 1458a_100011827653_100011934791 [0,2,0,0,0,0|1,0,0]=3 7156 B9R0.18 CCC#CC(=O)CCCO 1458a_100011827653_100011215043 [0,2,0,0,0,0|1,0,0]=3 7157 B9R0.18 CCC#CC(=O)CCOC 1458a_100011827653_100000233755 [0,2,0,0,0,0|1,0,0]=3 7158 B9R0.18 CCC#CC(=O)CCSC 1458a_100011827653_100000751147 [0,2,0,0,0,0|1,0,0]=3 7159 B9R0.18 CCC#CC(=O)NNCC 22a_100000756455_100011827653 [0,2,0,0,0,0|0,0,2]=4 7160 B9R0.18 CCC=CC(=O)CCC#N 1458a_100000212282_100011215226 [0,2,0,0,0,0|0,0,2]=4 7161 B9R0.18 CCC=CC(=O)CCCC 1458a_100000212282_100000210211 [0,2,0,0,0,0|0,0,0]=2 7162 B9R0.18 CCC=CC(=O)CCCF 1458a_100000212282_100011934791 [0,2,0,0,0,0|1,0,0]=3 7163 B9R0.18 CCC=CC(=O)CCCO 1458a_100000212282_100011215043 [0,2,0,0,0,0|1,0,0]=3 7164 B9R0.18 CCC=CC(=O)CCOC 1458a_100000212282_100000233755 [0,2,0,0,0,0|1,0,0]=3 7165 B9R0.18 CCC=CC(=O)CCSC 1458a_100000212282_100000751147 [0,2,0,0,0,0|1,0,0]=3 7166 B9R0.18 CCC=CC(=O)NCCC 11a_100020643023_100000212282 [0,2,0,0,0,0|1,0,0]=3 7167 B9R0.18 CCC=CC(=O)NCCC 1626a_100020643023_100000212282 [0,2,0,0,0,0|1,0,0]=3 7168 B9R0.18 CCC=CC(=O)NCCC 240690a_100020643023_100000212282 [0,2,0,0,0,0|1,0,0]=3 7169 B9R0.18 CCC=CC(=O)NCCF 11a_100000724931_100000212282 [0,2,0,0,0,0|0,0,2]=4 7170 B9R0.18 CCC=CC(=O)NCCF 1626a_100000724931_100000212282 [0,2,0,0,0,0|0,0,2]=4 7171 B9R0.18 CCC=CC(=O)NCCF 240690a_100000724931_100000212282 [0,2,0,0,0,0|0,0,2]=4 7172 B9R0.18 CCC=CC(=O)NCCO 240690a_100000210304_100000212282 [0,2,0,0,0,0|0,0,2]=4 7173 B9R0.18 CCC=CC(=O)NNCC 22a_100000756455_100000212282 [0,2,0,0,0,0|0,0,2]=4 7174 B9R0.18 CCCCC(=NNCC)C 4a_100000756455_100000210087 [0,2,0,0,0,0|1,0,0]=3 7175 B9R0.18 CCCCC(=O)C#CCO 1458a_100000049017_100000210211 [0,2,0,0,0,0|0,0,1]=3 7176 B9R0.18 CCCCC(=O)C=COC 1458a_100016268678_100000210211 [0,2,0,0,0,0|0,0,1]=3 7177 B9R0.18 CCCCC(=O)CCC#N 1458a_100000210183_100011215226 [0,2,0,0,0,0|0,0,0]=2 7178 B9R0.18 CCCCC(=O)CCC#N 1458a_100011934036_100000210211 [0,2,0,0,0,0|0,0,0]=2 7179 B9R0.18 CCCCC(=O)CCCC 1458a_100000210183_100000210211 [0,2,0,0,0,0|0,0,0]=2 7180 B9R0.18 CCCCC(=O)CCCF 1458a_100000210183_100011934791 [0,2,0,0,0,0|0,0,0]=2 7181 B9R0.18 CCCCC(=O)CCCO 1458a_100000210183_100011215043 [0,2,0,0,0,0|0,0,0]=2 7182 B9R0.18 CCCCC(=O)CCOC 1458a_100000210183_100000233755 [0,2,0,0,0,0|0,0,0]=2 7183 B9R0.18 CCCCC(=O)CCOC 1458a_100000749529_100000210211 [0,2,0,0,0,0|0,0,0]=2 7184 B9R0.18 CCCCC(=O)CCSC 1458a_100000174002_100000210211 [0,2,0,0,0,0|0,0,0]=2 7185 B9R0.18 CCCCC(=O)CCSC 1458a_100000210183_100000751147 [0,2,0,0,0,0|0,0,0]=2 7186 B9R0.18 CCCCC(=O)COCC 1458a_100000211967_100000210211 [0,2,0,0,0,0|0,0,0]=2 7187 B9R0.18 CCCCC(=O)CSCC 1458a_100000230394_100000210211 [0,2,0,0,0,0|0,0,0]=2 7188 B9R0.18 CCCCC(=O)NCC#N 1626a_100000734998_100000210183 [0,2,0,0,0,0|0,0,1]=3 7189 B9R0.18 CCCCC(=O)NCC#N 527a_100000734998_100000210183 [0,2,0,0,0,0|0,0,1]=3 7190 B9R0.18 CCCCC(=O)NCCC 11a_100020643023_100000210183 [0,2,0,0,0,0|0,0,0]=2 7191 B9R0.18 CCCCC(=O)NCCC 1626a_100020643023_100000210183 [0,2,0,0,0,0|0,0,0]=2 7192 B9R0.18 CCCCC(=O)NCCC 240690a_100020643023_100000210183 [0,2,0,0,0,0|0,0,0]=2 7193 B9R0.18 CCCCC(=O)NCCC 527a_100020643023_100000210183 [0,2,0,0,0,0|0,0,0]=2 7194 B9R0.18 CCCCC(=O)NCCF 11a_100000724931_100000210183 [0,2,0,0,0,0|0,0,0]=2 7195 B9R0.18 CCCCC(=O)NCCF 1626a_100000724931_100000210183 [0,2,0,0,0,0|0,0,0]=2 7196 B9R0.18 CCCCC(=O)NCCF 240690a_100000724931_100000210183 [0,2,0,0,0,0|0,0,0]=2 7197 B9R0.18 CCCCC(=O)NCCF 527a_100000724931_100000210183 [0,2,0,0,0,0|0,0,0]=2 7198 B9R0.18 CCCCC(=O)NCCO 240690a_100000210304_100000210183 [0,2,0,0,0,0|0,0,0]=2 7199 B9R0.18 CCCCC(=O)NCCO 527a_100000210304_100000210183 [0,2,0,0,0,0|0,0,0]=2 7200 B9R0.18 CCCCC(=O)NNCC 22a_100000756455_100000210183 [0,2,0,0,0,0|0,0,0]=2 7201 B9R0.18 CCCCC(C)COCC 34a_100011995851_100000210202 [0,2,0,0,0,0|1,0,1]=4 7202 B9R0.18 CCCCC(C)COCC 7a_100011995851_100000210202 [0,2,0,0,0,0|1,0,1]=4 7203 B9R0.18 CCCCC(C)COCF 34a_100011995851_100015361967 [0,2,0,0,0,0|1,0,1]=4 7204 B9R0.18 CCCCC(C)COCF 7a_100011995851_100015361967 [0,2,0,0,0,0|1,0,1]=4 7205 B9R0.18 CCCCC(C)NCCC 2230a_100000126638_100000210303 [0,2,0,0,0,0|1,0,1]=4 7206 B9R0.18 CCCCC(C)NCCC 270004a_100020643023_100000210087 [0,2,0,0,0,0|1,0,1]=4 7207 B9R0.18 CCCCC(C)NCCF 2230a_100000126638_100011217306 [0,2,0,0,0,0|1,0,1]=4 7208 B9R0.18 CCCCC(C)NCCF 34a_100000724931_200011215066 [0,2,0,0,0,0|1,0,1]=4 7209 B9R0.18 CCCCC(C)NCCO 2230a_100000126638_100000211926 [0,2,0,0,0,0|1,0,1]=4 7210 B9R0.18 CCCCC(C)NCCO 2230a_100016997473_200011215066 [0,2,0,0,0,0|1,0,1]=4 7211 B9R0.18 CCCCC(C)NCCO 270004a_100000210304_100000210087 [0,2,0,0,0,0|1,0,1]=4 7212 B9R0.18 CCCCC(C)NCCO 34a_100016990907_200011215066 [0,2,0,0,0,0|1,0,1]=4 7213 B9R0.18 CCCCC(C)NCOC 2230a_100000126638_100000766300 [0,2,0,0,0,0|1,0,1]=4 7214 B9R0.18 CCCCC(C)NCSC 2230a_100000126638_100011218213 [0,2,0,0,0,0|1,0,1]=4 7215 B9R0.18 CCCCC(C)OCCBr 34a_100000211926_200011215066 [0,2,0,0,0,0|1,0,1]=4 7216 B9R0.18 CCCCC(C)OCCC 34a_100000210258_200011215066 [0,2,0,0,0,0|1,0,1]=4 7217 B9R0.18 CCCCC(C)OCCC 34a_100000687866_100000210303 [0,2,0,0,0,0|1,0,1]=4 7218 B9R0.18 CCCCC(C)OCCC 7a_100000687866_100000210303 [0,2,0,0,0,0|1,0,1]=4 7219 B9R0.18 CCCCC(C)OCCF 34a_100000687866_100011217306 [0,2,0,0,0,0|1,0,1]=4 7220 B9R0.18 CCCCC(C)OCCF 7a_100000687866_100011217306 [0,2,0,0,0,0|1,0,1]=4 7221 B9R0.18 CCCCC(C)OCCN 34a_100000210304_200011215066 [0,2,0,0,0,0|1,0,1]=4 7222 B9R0.18 CCCCC(C)OCCO 34a_100000687866_100000211926 [0,2,0,0,0,0|1,0,1]=4 7223 B9R0.18 CCCCC(C)OCCO 7a_100000687866_100000211926 [0,2,0,0,0,0|1,0,1]=4 7224 B9R0.18 CCCCC(C)OCSC 34a_100000687866_100011218213 [0,2,0,0,0,0|1,0,1]=4 7225 B9R0.18 CCCCC(C)SCCC 62a_100000210303_200011215066 [0,2,0,0,0,0|1,0,1]=4 7226 B9R0.18 CCCCC(C)SCCC 62a_200011215066_100000210303 [0,2,0,0,0,0|1,0,1]=4 7227 B9R0.18 CCCCC(C)SCCF 62a_100011217306_200011215066 [0,2,0,0,0,0|1,0,1]=4 7228 B9R0.18 CCCCC(C)SCCF 62a_200011215066_100011217306 [0,2,0,0,0,0|1,0,1]=4 7229 B9R0.18 CCCCC(C)SCCO 62a_100000211926_200011215066 [0,2,0,0,0,0|1,0,1]=4 7230 B9R0.18 CCCCC(C)SCCO 62a_200011215066_100000211926 [0,2,0,0,0,0|1,0,1]=4 7231 B9R0.18 CCCCC(C)SCOC 62a_100000766300_200011215066 [0,2,0,0,0,0|1,0,1]=4 7232 B9R0.18 CCCCC(C)SCOC 62a_200011215066_100000766300 [0,2,0,0,0,0|1,0,1]=4 7233 B9R0.18 CCCCC(C)SCSC 62a_100011218213_200011215066 [0,2,0,0,0,0|1,0,1]=4 7234 B9R0.18 CCCCC(C)SCSC 62a_200011215066_100011218213 [0,2,0,0,0,0|1,0,1]=4 7235 B9R0.18 CCCCN(C)CCC#N 2230a_100000184479_100000210211 [0,2,0,0,0,0|2,0,0]=4 7236 B9R0.18 CCCCN(C)CCC#N 2230a_100000207549_100011215226 [0,2,0,0,0,0|2,0,0]=4 7237 B9R0.18 CCCCN(C)CCC#N 2230a_200000177648_200000210301 [0,2,0,0,0,0|2,0,0]=4 7238 B9R0.18 CCCCN(C)CCC#N 269982a_100000207549_100011215226 [0,2,0,0,0,0|2,0,0]=4 7239 B9R0.18 CCCCN(C)CCCC 2230a_100000207549_100000210211 [0,2,0,0,0,0|2,0,0]=4 7240 B9R0.18 CCCCN(C)CCCC 2230a_100000684618_200000210301 [0,2,0,0,0,0|2,0,0]=4 7241 B9R0.18 CCCCN(C)CCCC 269982a_100000207549_100000210211 [0,2,0,0,0,0|2,0,0]=4 7242 B9R0.18 CCCCN(C)CCCC 269982a_100000684618_200000210301 [0,2,0,0,0,0|2,0,0]=4 7243 B9R0.18 CCCCN(C)CCCF 2230a_100000207549_100011934791 [0,2,0,0,0,0|2,0,0]=4 7244 B9R0.18 CCCCN(C)CCCF 269982a_100000207549_100011934791 [0,2,0,0,0,0|2,0,0]=4 7245 B9R0.18 CCCCN(C)CCCO 2230a_100000207549_100000230001 [0,2,0,0,0,0|2,0,0]=4 7246 B9R0.18 CCCCN(C)CCCO 2230a_100000213112_100000210211 [0,2,0,0,0,0|2,0,0]=4 7247 B9R0.18 CCCCN(C)CCCO 269982a_100000207549_100011215043 [0,2,0,0,0,0|2,0,0]=4 7248 B9R0.18 CCCCN(C)CCCO 269982a_100000213112_100000210211 [0,2,0,0,0,0|2,0,0]=4 7249 B9R0.18 CCCCN(C)CCOC 2230a_100000207391_200000210301 [0,2,0,0,0,0|2,0,0]=4 7250 B9R0.18 CCCCN(C)CCOC 2230a_100000207549_100011201679 [0,2,0,0,0,0|2,0,0]=4 7251 B9R0.18 CCCCN(C)CCOC 2230a_100000743101_100000210211 [0,2,0,0,0,0|2,0,0]=4 7252 B9R0.18 CCCCN(C)CCOC 269982a_100000207391_200000210301 [0,2,0,0,0,0|2,0,0]=4 7253 B9R0.18 CCCCN(C)CCOC 269982a_100000207549_100000233755 [0,2,0,0,0,0|2,0,0]=4 7254 B9R0.18 CCCCN(C)CCOC 269982a_100000743101_100000210211 [0,2,0,0,0,0|2,0,0]=4 7255 B9R0.18 CCCCN(C)CCSC 2230a_100000207549_100000751147 [0,2,0,0,0,0|2,0,0]=4 7256 B9R0.18 CCCCN(C)CCSC 2230a_100000686725_100000210211 [0,2,0,0,0,0|2,0,0]=4 7257 B9R0.18 CCCCN(C)CCSC 269982a_100000207549_100000212216 [0,2,0,0,0,0|2,0,0]=4 7258 B9R0.18 CCCCN(C)CCSC 269982a_100000686725_100000210211 [0,2,0,0,0,0|2,0,0]=4 7259 B9R0.18 CCCCN(C)COCC 269982a_100000207549_100000739092 [0,2,0,0,0,0|2,0,0]=4 7260 B9R0.18 CCCCN([13CH3])CCC#N 2230a_200000177648_200025704644 [0,2,0,0,0,0|2,0,0]=4 7261 B9R0.18 CCCCN([13CH3])CCCC 2230a_100000684618_200025704644 [0,2,0,0,0,0|2,0,0]=4 7262 B9R0.18 CCCCN([13CH3])CCCC 269982a_100000684618_200025704644 [0,2,0,0,0,0|2,0,0]=4 7263 B9R0.18 CCCCN([13CH3])CCOC 2230a_100000207391_200025704644 [0,2,0,0,0,0|2,0,0]=4 7264 B9R0.18 CCCCN([13CH3])CCOC 269982a_100000207391_200025704644 [0,2,0,0,0,0|2,0,0]=4 7265 B9R0.18 CCCC[C@H](N)COCC 34a_100011934283_100000210202 [0,2,0,0,0,0|1,0,1]=4 7266 B9R0.18 CCCC[C@H](N)COCF 34a_100011934283_100015361967 [0,2,0,0,0,0|1,0,1]=4 7267 B9R0.18 CCCNC(=O)C=COC 1626a_100020643023_100016268678 [0,2,0,0,0,0|1,0,1]=4 7268 B9R0.18 CCCNC(=O)C=COC 240690a_100020643023_100016268678 [0,2,0,0,0,0|1,0,1]=4 7269 B9R0.18 CCCNC(=O)CCC#N 11a_100020643023_100011934036 [0,2,0,0,0,0|1,0,0]=3 7270 B9R0.18 CCCNC(=O)CCC#N 1626a_100020643023_100011934036 [0,2,0,0,0,0|1,0,0]=3 7271 B9R0.18 CCCNC(=O)CCC#N 240690a_100020643023_100011934036 [0,2,0,0,0,0|1,0,0]=3 7272 B9R0.18 CCCNC(=O)CCC#N 527a_100020643023_100011934036 [0,2,0,0,0,0|1,0,0]=3 7273 B9R0.18 CCCNC(=O)CCOC 11a_100020643023_100000749529 [0,2,0,0,0,0|1,0,0]=3 7274 B9R0.18 CCCNC(=O)CCOC 1626a_100020643023_100000749529 [0,2,0,0,0,0|1,0,0]=3 7275 B9R0.18 CCCNC(=O)CCOC 240690a_100020643023_100000749529 [0,2,0,0,0,0|1,0,0]=3 7276 B9R0.18 CCCNC(=O)CCOC 527a_100020643023_100000749529 [0,2,0,0,0,0|1,0,0]=3 7277 B9R0.18 CCCNC(=O)CCSC 11a_100020643023_100000174002 [0,2,0,0,0,0|1,0,0]=3 7278 B9R0.18 CCCNC(=O)CCSC 1626a_100020643023_100000174002 [0,2,0,0,0,0|1,0,0]=3 7279 B9R0.18 CCCNC(=O)CCSC 240690a_100020643023_100000174002 [0,2,0,0,0,0|1,0,0]=3 7280 B9R0.18 CCCNC(=O)CCSC 527a_100020643023_100000174002 [0,2,0,0,0,0|1,0,0]=3 7281 B9R0.18 CCCNC(=O)CN=[N+]=[N-] 11a_100020643023_100000751907 [0,2,0,0,0,0|2,0,0]=4 7282 B9R0.18 CCCNC(=O)CN=[N+]=[N-] 240690a_100020643023_100000751907 [0,2,0,0,0,0|2,0,0]=4 7283 B9R0.18 CCCNC(=O)CNCC 2230a_100000174927_100000210202 [0,2,0,0,0,0|1,0,0]=3 7284 B9R0.18 CCCNC(=O)CNCC 2230a_100015525214_100000183358 [0,2,0,0,0,0|1,0,0]=3 7285 B9R0.18 CCCNC(=O)COCC 11a_100020643023_100000211967 [0,2,0,0,0,0|1,0,0]=3 7286 B9R0.18 CCCNC(=O)COCC 1626a_100020643023_100000211967 [0,2,0,0,0,0|1,0,0]=3 7287 B9R0.18 CCCNC(=O)COCC 240690a_100020643023_100000211967 [0,2,0,0,0,0|1,0,0]=3 7288 B9R0.18 CCCNC(=O)COCC 34a_100121572206_100000183358 [0,2,0,0,0,0|1,0,0]=3 7289 B9R0.18 CCCNC(=O)COCC 527a_100020643023_100000211967 [0,2,0,0,0,0|1,0,0]=3 7290 B9R0.18 CCCNC(=O)CSCC 11a_100020643023_100000230394 [0,2,0,0,0,0|1,0,0]=3 7291 B9R0.18 CCCNC(=O)CSCC 1626a_100020643023_100000230394 [0,2,0,0,0,0|1,0,0]=3 7292 B9R0.18 CCCNC(=O)CSCC 240690a_100020643023_100000230394 [0,2,0,0,0,0|1,0,0]=3 7293 B9R0.18 CCCNC(=O)CSCC 527a_100020643023_100000230394 [0,2,0,0,0,0|1,0,0]=3 7294 B9R0.18 CCCNC(=O)CSCC 62a_100000183358_100000210202 [0,2,0,0,0,0|1,0,0]=3 7295 B9R0.18 CCCNC(=O)CSCC 62a_100000210202_100000183358 [0,2,0,0,0,0|1,0,0]=3 7296 B9R0.18 CCCNC(=O)CSCF 62a_100000183358_100015361967 [0,2,0,0,0,0|1,0,0]=3 7297 B9R0.18 CCCNC(=O)CSCF 62a_100015361967_100000183358 [0,2,0,0,0,0|1,0,0]=3 7298 B9R0.18 CCCNC(=O)NCC#N 2708a_100000734998_100020643023 [0,2,0,0,0,0|1,0,1]=4 7299 B9R0.18 CCCNC(=O)NCC#N 273464a_100000734998_100020643023 [0,2,0,0,0,0|1,0,1]=4 7300 B9R0.18 CCCNC(=O)NCC#N 273464a_100020643023_100000734998 [0,2,0,0,0,0|1,0,1]=4 7301 B9R0.18 CCCNC(=O)NCC#N 512a_100000734998_100020643023 [0,2,0,0,0,0|1,0,1]=4 7302 B9R0.18 CCCNC(=O)NCC#N 512a_100020643023_100000734998 [0,2,0,0,0,0|1,0,1]=4 7303 B9R0.18 CCCNC(=O)NCCC 2708a_100020643023_100020643023 [0,2,0,0,0,0|1,0,0]=3 7304 B9R0.18 CCCNC(=O)NCCC 273464a_100020643023_100020643023 [0,2,0,0,0,0|1,0,0]=3 7305 B9R0.18 CCCNC(=O)NCCC 512a_100020643023_100020643023 [0,2,0,0,0,0|1,0,0]=3 7306 B9R0.18 CCCNC(=O)NCCF 2708a_100020643023_100000724931 [0,2,0,0,0,0|1,0,0]=3 7307 B9R0.18 CCCNC(=O)NCCF 273464a_100000724931_100020643023 [0,2,0,0,0,0|1,0,0]=3 7308 B9R0.18 CCCNC(=O)NCCF 273464a_100020643023_100000724931 [0,2,0,0,0,0|1,0,0]=3 7309 B9R0.18 CCCNC(=O)NCCF 512a_100020643023_100000724931 [0,2,0,0,0,0|1,0,0]=3 7310 B9R0.18 CCCNC(=O)NCCO 2708a_100020643023_100000210304 [0,2,0,0,0,0|1,0,0]=3 7311 B9R0.18 CCCNC(=O)NCCO 273464a_100000210304_100020643023 [0,2,0,0,0,0|1,0,0]=3 7312 B9R0.18 CCCNC(=O)NCCO 273464a_100020643023_100000210304 [0,2,0,0,0,0|1,0,0]=3 7313 B9R0.18 CCCNC(=O)NCCO 512a_100020643023_100000210304 [0,2,0,0,0,0|1,0,0]=3 7314 B9R0.18 CCCNC(=O)NNCC 273464a_100020643023_100000756455 [0,2,0,0,0,0|1,0,0]=3 7315 B9R0.18 CCCNC(=O)NNCC 512a_100000756455_100020643023 [0,2,0,0,0,0|1,0,0]=3 7316 B9R0.18 CCCNC(=O)NNCC 512a_100020643023_100000756455 [0,2,0,0,0,0|1,0,0]=3 7317 B9R0.18 CCCOC(=O)CNCC 2230a_100015525214_200011215008 [0,2,0,0,0,0|1,0,0]=3 7318 B9R0.18 CCCOC(=O)COCC 34a_100121572206_200011215008 [0,2,0,0,0,0|1,0,0]=3 7319 B9R0.18 CCCOC(=O)CSCC 62a_100000210202_200011215008 [0,2,0,0,0,0|1,0,0]=3 7320 B9R0.18 CCCOC(=O)CSCC 62a_200011215008_100000210202 [0,2,0,0,0,0|1,0,0]=3 7321 B9R0.18 CCCOC(=O)CSCF 62a_100015361967_200011215008 [0,2,0,0,0,0|1,0,0]=3 7322 B9R0.18 CCCOC(=O)CSCF 62a_200011215008_100015361967 [0,2,0,0,0,0|1,0,0]=3 7323 B9R0.18 CCCOC(=O)OCNC 34a_100102657272_200000139673 [0,2,0,0,0,0|1,0,0]=3 7324 B9R0.18 CCCOC(=O)OCNC 7a_106832991635_200000139673 [0,2,0,0,0,0|1,0,0]=3 7325 B9R0.18 CCCOC(=O)OCOC 34a_100138415774_200000139673 [0,2,0,0,0,0|1,0,0]=3 7326 B9R0.18 CCCOC(=O)OCSC 62a_200000210301_200000139673 [0,2,0,0,0,0|1,0,0]=3 7327 B9R0.18 CCCOC(=O)OCS[13CH3] 62a_200025704644_200000139673 [0,2,0,0,0,0|1,0,0]=3 7328 B9R0.18 CCNCC(=O)NCC#N 2230a_100015525214_100000736037 [0,2,0,0,0,0|1,0,1]=4 7329 B9R0.18 CCNCC(=O)NCCF 2230a_100000725713_100000210202 [0,2,0,0,0,0|1,0,0]=3 7330 B9R0.18 CCNN=C(C)CCCO 4a_100000756455_100000759063 [0,2,0,0,0,0|2,0,0]=4 7331 B9R0.18 CCNN=C(C)CCOC 4a_100000756455_100000742357 [0,2,0,0,0,0|2,0,0]=4 7332 B9R0.18 CCNN=C(C)CCSC 4a_100000756455_100011217047 [0,2,0,0,0,0|2,0,0]=4 7333 B9R0.18 CCNN=C(C)CSCC 4a_100000756455_200011216171 [0,2,0,0,0,0|2,0,0]=4 7334 B9R0.18 CCNNC(=O)CCC#N 22a_100000756455_100011934036 [0,2,0,0,0,0|1,0,1]=4 7335 B9R0.18 CCNNC(=O)CCOC 22a_100000756455_100000749529 [0,2,0,0,0,0|1,0,0]=3 7336 B9R0.18 CCNNC(=O)CCSC 22a_100000756455_100000174002 [0,2,0,0,0,0|1,0,0]=3 7337 B9R0.18 CCNNC(=O)COCC 22a_100000756455_100000211967 [0,2,0,0,0,0|1,0,0]=3 7338 B9R0.18 CCNNC(=O)CSCC 22a_100000756455_100000230394 [0,2,0,0,0,0|1,0,0]=3 7339 B9R0.18 CCNNC(=O)NCCF 273464a_100000724931_100000756455 [0,2,0,0,0,0|2,0,0]=4 7340 B9R0.18 CCNNC(=O)NCCF 512a_100000756455_100000724931 [0,2,0,0,0,0|2,0,0]=4 7341 B9R0.18 CCNNC(=O)NCCO 273464a_100000210304_100000756455 [0,2,0,0,0,0|2,0,0]=4 7342 B9R0.18 CCNNC(=O)NCCO 512a_100000756455_100000210304 [0,2,0,0,0,0|2,0,0]=4 7343 B9R0.18 CCNNC(=O)NNCC 512a_100000756455_100000756455 [0,2,0,0,0,0|2,0,0]=4 7344 B9R0.18 CCOCC(=O)CCC#N 1458a_100000211967_100011215226 [0,2,0,0,0,0|1,0,0]=3 7345 B9R0.18 CCOCC(=O)CCCF 1458a_100000211967_100011934791 [0,2,0,0,0,0|1,0,0]=3 7346 B9R0.18 CCOCC(=O)CCCO 1458a_100000211967_100011215043 [0,2,0,0,0,0|1,0,0]=3 7347 B9R0.18 CCOCC(=O)CCOC 1458a_100000211967_100000233755 [0,2,0,0,0,0|1,0,0]=3 7348 B9R0.18 CCOCC(=O)CCSC 1458a_100000211967_100000751147 [0,2,0,0,0,0|1,0,0]=3 7349 B9R0.18 CCOCC(=O)NCC#N 1626a_100000734998_100000211967 [0,2,0,0,0,0|1,0,1]=4 7350 B9R0.18 CCOCC(=O)NCC#N 527a_100000734998_100000211967 [0,2,0,0,0,0|1,0,1]=4 7351 B9R0.18 CCOCC(=O)NCCF 11a_100000724931_100000211967 [0,2,0,0,0,0|1,0,0]=3 7352 B9R0.18 CCOCC(=O)NCCF 1626a_100000724931_100000211967 [0,2,0,0,0,0|1,0,0]=3 7353 B9R0.18 CCOCC(=O)NCCF 240690a_100000724931_100000211967 [0,2,0,0,0,0|1,0,0]=3 7354 B9R0.18 CCOCC(=O)NCCF 527a_100000724931_100000211967 [0,2,0,0,0,0|1,0,0]=3 7355 B9R0.18 CCOCC(=O)NCCO 240690a_100000210304_100000211967 [0,2,0,0,0,0|1,0,0]=3 7356 B9R0.18 CCOCC(=O)NCCO 527a_100000210304_100000211967 [0,2,0,0,0,0|1,0,0]=3 7357 B9R0.18 CCSCC(=O)CCC#N 1458a_100000230394_100011215226 [0,2,0,0,0,0|1,0,0]=3 7358 B9R0.18 CCSCC(=O)CCCF 1458a_100000230394_100011934791 [0,2,0,0,0,0|1,0,0]=3 7359 B9R0.18 CCSCC(=O)CCCO 1458a_100000230394_100011215043 [0,2,0,0,0,0|1,0,0]=3 7360 B9R0.18 CCSCC(=O)CCOC 1458a_100000230394_100000233755 [0,2,0,0,0,0|1,0,0]=3 7361 B9R0.18 CCSCC(=O)CCSC 1458a_100000230394_100000751147 [0,2,0,0,0,0|1,0,0]=3 7362 B9R0.18 CCSCC(=O)NCC#N 1626a_100000734998_100000230394 [0,2,0,0,0,0|1,0,1]=4 7363 B9R0.18 CCSCC(=O)NCC#N 527a_100000734998_100000230394 [0,2,0,0,0,0|1,0,1]=4 7364 B9R0.18 CCSCC(=O)NCC#N 62a_100000210202_100000736037 [0,2,0,0,0,0|1,0,1]=4 7365 B9R0.18 CCSCC(=O)NCC#N 62a_100000736037_100000210202 [0,2,0,0,0,0|1,0,1]=4 7366 B9R0.18 CCSCC(=O)NCCF 11a_100000724931_100000230394 [0,2,0,0,0,0|1,0,0]=3 7367 B9R0.18 CCSCC(=O)NCCF 1626a_100000724931_100000230394 [0,2,0,0,0,0|1,0,0]=3 7368 B9R0.18 CCSCC(=O)NCCF 240690a_100000724931_100000230394 [0,2,0,0,0,0|1,0,0]=3 7369 B9R0.18 CCSCC(=O)NCCF 527a_100000724931_100000230394 [0,2,0,0,0,0|1,0,0]=3 7370 B9R0.18 CCSCC(=O)NCCO 240690a_100000210304_100000230394 [0,2,0,0,0,0|1,0,0]=3 7371 B9R0.18 CCSCC(=O)NCCO 527a_100000210304_100000230394 [0,2,0,0,0,0|1,0,0]=3 7372 B9R0.18 COC=CC(=O)CCCF 1458a_100016268678_100011934791 [0,2,0,0,0,0|1,0,1]=4 7373 B9R0.18 COC=CC(=O)CCCO 1458a_100016268678_100011215043 [0,2,0,0,0,0|1,0,1]=4 7374 B9R0.18 COC=CC(=O)CCOC 1458a_100016268678_100000233755 [0,2,0,0,0,0|1,0,1]=4 7375 B9R0.18 COC=CC(=O)CCSC 1458a_100016268678_100000751147 [0,2,0,0,0,0|1,0,1]=4 7376 B9R0.18 COCCC(=O)C#CCO 1458a_100000049017_100000233755 [0,2,0,0,0,0|1,0,1]=4 7377 B9R0.18 COCCC(=O)CCC#N 1458a_100000749529_100011215226 [0,2,0,0,0,0|1,0,0]=3 7378 B9R0.18 COCCC(=O)CCC#N 1458a_100011934036_100000233755 [0,2,0,0,0,0|1,0,0]=3 7379 B9R0.18 COCCC(=O)CCCF 1458a_100000749529_100011934791 [0,2,0,0,0,0|1,0,0]=3 7380 B9R0.18 COCCC(=O)CCCO 1458a_100000749529_100011215043 [0,2,0,0,0,0|1,0,0]=3 7381 B9R0.18 COCCC(=O)CCOC 1458a_100000749529_100000233755 [0,2,0,0,0,0|1,0,0]=3 7382 B9R0.18 COCCC(=O)CCSC 1458a_100000174002_100000233755 [0,2,0,0,0,0|1,0,0]=3 7383 B9R0.18 COCCC(=O)CCSC 1458a_100000749529_100000751147 [0,2,0,0,0,0|1,0,0]=3 7384 B9R0.18 COCCC(=O)NCC#N 1626a_100000734998_100000749529 [0,2,0,0,0,0|1,0,1]=4 7385 B9R0.18 COCCC(=O)NCC#N 527a_100000734998_100000749529 [0,2,0,0,0,0|1,0,1]=4 7386 B9R0.18 COCCC(=O)NCCF 11a_100000724931_100000749529 [0,2,0,0,0,0|1,0,0]=3 7387 B9R0.18 COCCC(=O)NCCF 1626a_100000724931_100000749529 [0,2,0,0,0,0|1,0,0]=3 7388 B9R0.18 COCCC(=O)NCCF 240690a_100000724931_100000749529 [0,2,0,0,0,0|1,0,0]=3 7389 B9R0.18 COCCC(=O)NCCF 527a_100000724931_100000749529 [0,2,0,0,0,0|1,0,0]=3 7390 B9R0.18 COCCC(=O)NCCO 240690a_100000210304_100000749529 [0,2,0,0,0,0|1,0,0]=3 7391 B9R0.18 COCCC(=O)NCCO 527a_100000210304_100000749529 [0,2,0,0,0,0|1,0,0]=3 7392 B9R0.18 CSCCC(=O)C#CCO 1458a_100000049017_100000751147 [0,2,0,0,0,0|1,0,1]=4 7393 B9R0.18 CSCCC(=O)CCC#N 1458a_100000174002_100011215226 [0,2,0,0,0,0|1,0,0]=3 7394 B9R0.18 CSCCC(=O)CCC#N 1458a_100011934036_100000751147 [0,2,0,0,0,0|1,0,0]=3 7395 B9R0.18 CSCCC(=O)CCCF 1458a_100000174002_100011934791 [0,2,0,0,0,0|1,0,0]=3 7396 B9R0.18 CSCCC(=O)CCCO 1458a_100000174002_100011215043 [0,2,0,0,0,0|1,0,0]=3 7397 B9R0.18 CSCCC(=O)CCSC 1458a_100000174002_100000751147 [0,2,0,0,0,0|1,0,0]=3 7398 B9R0.18 CSCCC(=O)NCC#N 1626a_100000734998_100000174002 [0,2,0,0,0,0|1,0,1]=4 7399 B9R0.18 CSCCC(=O)NCC#N 527a_100000734998_100000174002 [0,2,0,0,0,0|1,0,1]=4 7400 B9R0.18 CSCCC(=O)NCCF 11a_100000724931_100000174002 [0,2,0,0,0,0|1,0,0]=3 7401 B9R0.18 CSCCC(=O)NCCF 1626a_100000724931_100000174002 [0,2,0,0,0,0|1,0,0]=3 7402 B9R0.18 CSCCC(=O)NCCF 240690a_100000724931_100000174002 [0,2,0,0,0,0|1,0,0]=3 7403 B9R0.18 CSCCC(=O)NCCF 527a_100000724931_100000174002 [0,2,0,0,0,0|1,0,0]=3 7404 B9R0.18 CSCCC(=O)NCCO 240690a_100000210304_100000174002 [0,2,0,0,0,0|1,0,0]=3 7405 B9R0.18 CSCCC(=O)NCCO 527a_100000210304_100000174002 [0,2,0,0,0,0|1,0,0]=3 7406 B9R0.18 N#CCCC(=O)CCC#N 1458a_100011934036_100011215226 [0,2,0,0,0,0|1,0,1]=4 7407 B9R0.18 N#CCCC(=O)CCCF 1458a_100011934036_100011934791 [0,2,0,0,0,0|1,0,0]=3 7408 B9R0.18 N#CCCC(=O)CCCO 1458a_100011934036_100011215043 [0,2,0,0,0,0|1,0,0]=3 7409 B9R0.18 N#CCCC(=O)NCCF 11a_100000724931_100011934036 [0,2,0,0,0,0|1,0,1]=4 7410 B9R0.18 N#CCCC(=O)NCCF 1626a_100000724931_100011934036 [0,2,0,0,0,0|1,0,1]=4 7411 B9R0.18 N#CCCC(=O)NCCF 240690a_100000724931_100011934036 [0,2,0,0,0,0|1,0,1]=4 7412 B9R0.18 N#CCCC(=O)NCCF 527a_100000724931_100011934036 [0,2,0,0,0,0|1,0,1]=4 7413 B9R0.18 N#CCCC(=O)NCCO 240690a_100000210304_100011934036 [0,2,0,0,0,0|1,0,1]=4 7414 B9R0.18 N#CCCC(=O)NCCO 527a_100000210304_100011934036 [0,2,0,0,0,0|1,0,1]=4 7415 B9R0.18 O=C(C#CCO)CCCF 1458a_100000049017_100011934791 [0,2,0,0,0,0|1,0,1]=4 7416 B9R0.18 O=C(C#CCO)CCCO 1458a_100000049017_100011215043 [0,2,0,0,0,0|1,0,1]=4 7417 B9R0.18 O=C(NCCF)NCCF 273464a_100000724931_100000724931 [0,2,0,0,0,0|2,0,0]=4 7418 B9R0.18 O=C(NCCO)NCCF 273464a_100000210304_100000724931 [0,2,0,0,0,0|2,0,0]=4 7419 B9R0.18 O=C(NCCO)NCCF 273464a_100000724931_100000210304 [0,2,0,0,0,0|2,0,0]=4 7420 B9R0.18 O=C(NCCO)NCCO 273464a_100000210304_100000210304 [0,2,0,0,0,0|2,0,0]=4 7421 B9R0.34 C#CC(=O)CC(=O)CCC 1458a_100000211873_100000747444 [0,2,0,0,0,0|0,0,2]=4 7422 B9R0.34 C#CC(=O)CC(C)CCC 1458a_100000211873_100011216630 [0,2,0,0,0,0|0,0,2]=4 7423 B9R0.34 C#CCC(=O)CC(=O)CC 1458a_100011220946_100000747405 [0,2,0,0,0,0|0,0,2]=4 7424 B9R0.34 C#CCC(=O)CC(C)CC 1458a_100000708755_100000184674 [0,2,0,0,0,0|0,0,1]=3 7425 B9R0.34 C#CCC(=O)CC(C)CC 1458a_100011220946_100000748023 [0,2,0,0,0,0|0,0,1]=3 7426 B9R0.34 C#CCC(=O)CC(O)CC 1458a_100011220946_100011218378 [0,2,0,0,0,0|0,0,1]=3 7427 B9R0.34 C#CCC(=O)CC(O)CC 1458a_100011667805_100000184674 [0,2,0,0,0,0|0,0,1]=3 7428 B9R0.34 C#CCC(=O)CN(C)CC 1458a_100116209913_100000184674 [0,2,0,0,0,0|1,0,1]=4 7429 B9R0.34 C#CCC(=O)C[C@@H](C)CC 1458a_100011220946_100009816398 [0,2,0,0,0,0|0,0,1]=3 7430 B9R0.34 C#CCC(=O)C[C@@H](C)CO 1458a_100011220946_100000059175 [0,2,0,0,0,0|1,0,1]=4 7431 B9R0.34 C#CCC(=O)NC(C)CC 1626a_100000209981_100011220946 [0,2,0,0,0,0|1,0,1]=4 7432 B9R0.34 C#CCC(=O)NC(C)CC 527a_100000209981_100011220946 [0,2,0,0,0,0|1,0,1]=4 7433 B9R0.34 C=C(CCC)CC(=O)CC 1458a_100000138376_100000210202 [0,2,0,0,0,0|0,0,0]=2 7434 B9R0.34 C=C(CCC)CC(=O)CF 1458a_100000138376_100015361967 [0,2,0,0,0,0|1,0,0]=3 7435 B9R0.34 C=C(CCC)CC(=O)NC 11a_106832991635_100000138376 [0,2,0,0,0,0|1,0,0]=3 7436 B9R0.34 C=C(CCC)CC(=O)NC 240690a_100102657272_100000138376 [0,2,0,0,0,0|1,0,0]=3 7437 B9R0.34 C=C(CCC)CC(=O)NC 527a_100102657272_100000138376 [0,2,0,0,0,0|1,0,0]=3 7438 B9R0.34 C=CC(=O)CC(=O)CCC 1458a_100000185746_100000747444 [0,2,0,0,0,0|0,0,2]=4 7439 B9R0.34 C=CC(=O)CC(C)CCC 1458a_100000185746_100011216630 [0,2,0,0,0,0|0,0,2]=4 7440 B9R0.34 C=CC(=O)NC(C)CCC 1626a_100000741246_100000185746 [0,2,0,0,0,0|0,0,2]=4 7441 B9R0.34 C=CC(=O)NC(C)CCC 240690a_100000741246_200121576911 [0,2,0,0,0,0|0,0,2]=4 7442 B9R0.34 C=CC(C)CC(=O)CCC 1458a_100011934298_100000210303 [0,2,0,0,0,0|0,0,2]=4 7443 B9R0.34 C=CC(C)CC(=O)CCF 1458a_100011934298_100011217306 [0,2,0,0,0,0|0,0,2]=4 7444 B9R0.34 C=CC(C)CC(=O)CCO 1458a_100011934298_100000211926 [0,2,0,0,0,0|0,0,2]=4 7445 B9R0.34 C=CC(C)CC(=O)NCC 11a_100015525214_100011934298 [0,2,0,0,0,0|0,0,2]=4 7446 B9R0.34 C=CC(C)CC(=O)NCC 240690a_100015525214_100011934298 [0,2,0,0,0,0|0,0,2]=4 7447 B9R0.34 C=CC(C)CC(=O)NCC 527a_100015525214_100011934298 [0,2,0,0,0,0|0,0,2]=4 7448 B9R0.34 C=CCC(=O)CC(=O)CC 1458a_100000210193_100000747405 [0,2,0,0,0,0|0,0,2]=4 7449 B9R0.34 C=CCC(=O)CC(C)CC 1458a_100000210193_100000748023 [0,2,0,0,0,0|0,0,1]=3 7450 B9R0.34 C=CCC(=O)CC(C)CC 1458a_100000708755_100000210623 [0,2,0,0,0,0|0,0,1]=3 7451 B9R0.34 C=CCC(=O)CC(O)CC 1458a_100000210193_100011218378 [0,2,0,0,0,0|0,0,1]=3 7452 B9R0.34 C=CCC(=O)CC(O)CC 1458a_100011667805_100000210623 [0,2,0,0,0,0|0,0,1]=3 7453 B9R0.34 C=CCC(=O)CN(C)CC 1458a_100116209913_100000210623 [0,2,0,0,0,0|1,0,1]=4 7454 B9R0.34 C=CCC(=O)C[C@@H](C)CC 1458a_100000210193_100009816398 [0,2,0,0,0,0|0,0,1]=3 7455 B9R0.34 C=CCC(=O)C[C@@H](C)CO 1458a_100000210193_100000059175 [0,2,0,0,0,0|1,0,1]=4 7456 B9R0.34 C=CCC(=O)NC(C)CC 11a_100000209981_100000210193 [0,2,0,0,0,0|1,0,1]=4 7457 B9R0.34 C=CCC(=O)NC(C)CC 1626a_100000209981_100000210193 [0,2,0,0,0,0|1,0,1]=4 7458 B9R0.34 C=CCC(=O)NC(C)CC 240690a_100000209981_100000210193 [0,2,0,0,0,0|1,0,1]=4 7459 B9R0.34 C=CCC(=O)NC(C)CC 527a_100000209981_100000210193 [0,2,0,0,0,0|1,0,1]=4 7460 B9R0.34 C=CCN(C)CC(=O)CC 269982a_100000225617_100000747405 [0,2,0,0,0,0|0,0,2]=4 7461 B9R0.34 CC#CC(=O)CC(=O)CC 1458a_100000763181_100000747405 [0,2,0,0,0,0|0,0,2]=4 7462 B9R0.34 CC#CC(=O)CC(C)CC 1458a_100000763181_100000748023 [0,2,0,0,0,0|0,0,1]=3 7463 B9R0.34 CC#CC(=O)CC(O)CC 1458a_100000763181_100011218378 [0,2,0,0,0,0|0,0,1]=3 7464 B9R0.34 CC#CC(=O)C[C@@H](C)CC 1458a_100000763181_100009816398 [0,2,0,0,0,0|0,0,1]=3 7465 B9R0.34 CC#CC(=O)C[C@@H](C)CO 1458a_100000763181_100000059175 [0,2,0,0,0,0|1,0,1]=4 7466 B9R0.34 CC=CC(=O)CC(=O)CC 1458a_100000210699_100000747405 [0,2,0,0,0,0|0,0,2]=4 7467 B9R0.34 CC=CC(=O)CC(C)CC 1458a_100000210699_100000748023 [0,2,0,0,0,0|0,0,1]=3 7468 B9R0.34 CC=CC(=O)CC(O)CC 1458a_100000210699_100011218378 [0,2,0,0,0,0|0,0,1]=3 7469 B9R0.34 CC=CC(=O)C[C@@H](C)CC 1458a_100000210699_100009816398 [0,2,0,0,0,0|0,0,1]=3 7470 B9R0.34 CC=CC(=O)C[C@@H](C)CO 1458a_100000210699_100000059175 [0,2,0,0,0,0|1,0,1]=4 7471 B9R0.34 CC=CC(=O)NC(C)CC 11a_100000209981_100000210699 [0,2,0,0,0,0|1,0,1]=4 7472 B9R0.34 CC=CC(=O)NC(C)CC 1626a_100000209981_100000210699 [0,2,0,0,0,0|1,0,1]=4 7473 B9R0.34 CC=CC(=O)NC(C)CC 240690a_100000209981_100000210699 [0,2,0,0,0,0|1,0,1]=4 7474 B9R0.34 CCC(=CC(=O)CCF)C 1458a_100020758463_100011217306 [0,2,0,0,0,0|0,0,2]=4 7475 B9R0.34 CCC(=CC(=O)CCO)C 1458a_100020758463_100000211926 [0,2,0,0,0,0|0,0,2]=4 7476 B9R0.34 CCC(=O)CC(=O)CC#N 1458a_100051588842_100000747405 [0,2,0,0,0,0|0,0,2]=4 7477 B9R0.34 CCC(=O)CC(=O)CCO 1458a_100011216618_100000747405 [0,2,0,0,0,0|0,0,1]=3 7478 B9R0.34 CCC(=O)CC(=O)COC 1458a_100000210968_100000747405 [0,2,0,0,0,0|0,0,1]=3 7479 B9R0.34 CCC(=O)CC(=O)CSC 1458a_100000184570_100000747405 [0,2,0,0,0,0|0,0,1]=3 7480 B9R0.34 CCC(=O)CC(=O)NCO 1458a_100000210414_100000185155 [0,2,0,0,0,0|1,0,1]=4 7481 B9R0.34 CCC(=O)CN(C)CCO 269982a_100000210263_100000747405 [0,2,0,0,0,0|1,0,0]=3 7482 B9R0.34 CCC(=O)N[C@@H](C)CC#N 11a_100016994482_100000210414 [0,2,0,0,0,0|1,0,1]=4 7483 B9R0.34 CCC(=O)N[C@@H](C)CC#N 1626a_100016994482_100000210414 [0,2,0,0,0,0|1,0,1]=4 7484 B9R0.34 CCC(=O)N[C@@H](C)CC#N 240690a_100016994482_100000210414 [0,2,0,0,0,0|1,0,1]=4 7485 B9R0.34 CCC(=O)N[C@@H](C)CC#N 527a_100016994482_100000210414 [0,2,0,0,0,0|1,0,1]=4 7486 B9R0.34 CCC(=O)N[C@H](C)CCO 240690a_100000706166_100000210414 [0,2,0,0,0,0|1,0,0]=3 7487 B9R0.34 CCC(=O)N[C@H](C)CCO 527a_100000706166_100000210414 [0,2,0,0,0,0|1,0,0]=3 7488 B9R0.34 CCC(=O)N[C@H](C)COC 11a_100000764878_100000210414 [0,2,0,0,0,0|1,0,0]=3 7489 B9R0.34 CCC(=O)N[C@H](C)COC 1626a_100000764878_100000210414 [0,2,0,0,0,0|1,0,0]=3 7490 B9R0.34 CCC(=O)N[C@H](C)COC 240690a_100000764878_100000210414 [0,2,0,0,0,0|1,0,0]=3 7491 B9R0.34 CCC(=O)N[C@H](C)COC 527a_100000764878_100000210414 [0,2,0,0,0,0|1,0,0]=3 7492 B9R0.34 CCC(C)CC(=O)C=CBr 1458a_100016273825_100000748023 [0,2,0,0,0,0|0,0,2]=4 7493 B9R0.34 CCC(C)CC(=O)C=CCl 1458a_200016279998_100000748023 [0,2,0,0,0,0|0,0,2]=4 7494 B9R0.34 CCC(C)CC(=O)C=CI 1458a_100016256311_100000748023 [0,2,0,0,0,0|0,0,2]=4 7495 B9R0.34 CCC(C)CC(=O)CC#N 1458a_100000708755_100011214920 [0,2,0,0,0,0|0,0,1]=3 7496 B9R0.34 CCC(C)CC(=O)CC#N 1458a_100051588842_100000748023 [0,2,0,0,0,0|0,0,1]=3 7497 B9R0.34 CCC(C)CC(=O)CCF 1458a_100000708755_100011217306 [0,2,0,0,0,0|0,0,0]=2 7498 B9R0.34 CCC(C)CC(=O)CCO 1458a_100000708755_100000211926 [0,2,0,0,0,0|0,0,0]=2 7499 B9R0.34 CCC(C)CC(=O)CCO 1458a_100011216618_100000748023 [0,2,0,0,0,0|0,0,0]=2 7500 B9R0.34 CCC(C)CC(=O)COC 1458a_100000210968_100000748023 [0,2,0,0,0,0|0,0,0]=2 7501 B9R0.34 CCC(C)CC(=O)CSC 1458a_100000184570_100000748023 [0,2,0,0,0,0|0,0,0]=2 7502 B9R0.34 CCC(C)CC(=O)NNC 22a_100016993582_100000708755 [0,2,0,0,0,0|1,0,0]=3 7503 B9R0.34 CCC(C)CN(C)CCF 2230a_100000753921_100011217306 [0,2,0,0,0,0|2,0,0]=4 7504 B9R0.34 CCC(C)CN(C)CCF 269982a_100000753921_100011217306 [0,2,0,0,0,0|2,0,0]=4 7505 B9R0.34 CCC(C)CN(C)CCO 2230a_100000210263_100000748023 [0,2,0,0,0,0|2,0,0]=4 7506 B9R0.34 CCC(C)CN(C)CCO 2230a_100000753921_100000211926 [0,2,0,0,0,0|2,0,0]=4 7507 B9R0.34 CCC(C)CN(C)CCO 269982a_100000210263_100000748023 [0,2,0,0,0,0|2,0,0]=4 7508 B9R0.34 CCC(C)CN(C)CCO 269982a_100000753921_100000211926 [0,2,0,0,0,0|2,0,0]=4 7509 B9R0.34 CCC(C)CN(C)CCO 270004a_100000210263_100000243153 [0,2,0,0,0,0|2,0,0]=4 7510 B9R0.34 CCC(C)CN(C)COC 2230a_100000753921_100000766300 [0,2,0,0,0,0|2,0,0]=4 7511 B9R0.34 CCC(C)CN(C)COC 269982a_100000753921_100000766300 [0,2,0,0,0,0|2,0,0]=4 7512 B9R0.34 CCC(C)CN(C)CSC 2230a_100000753921_100011218213 [0,2,0,0,0,0|2,0,0]=4 7513 B9R0.34 CCC(C)CN(C)CSC 269982a_100000753921_100011218213 [0,2,0,0,0,0|2,0,0]=4 7514 B9R0.34 CCC(C)NC(=O)CC#N 1626a_100000209981_100051588842 [0,2,0,0,0,0|1,0,1]=4 7515 B9R0.34 CCC(C)NC(=O)CC#N 240690a_100000209981_100051588842 [0,2,0,0,0,0|1,0,1]=4 7516 B9R0.34 CCC(C)NC(=O)CCO 240690a_100000209981_100011216618 [0,2,0,0,0,0|1,0,0]=3 7517 B9R0.34 CCC(C)NC(=O)CNC 2230a_106832991635_100000182745 [0,2,0,0,0,0|1,0,0]=3 7518 B9R0.34 CCC(C)NC(=O)CNC 34a_100102657272_100000182745 [0,2,0,0,0,0|1,0,0]=3 7519 B9R0.34 CCC(C)NC(=O)CNC 7a_106832991635_100000182745 [0,2,0,0,0,0|1,0,0]=3 7520 B9R0.34 CCC(C)NC(=O)COC 11a_100000209981_100000210968 [0,2,0,0,0,0|1,0,0]=3 7521 B9R0.34 CCC(C)NC(=O)COC 1626a_100000209981_100000210968 [0,2,0,0,0,0|1,0,0]=3 7522 B9R0.34 CCC(C)NC(=O)COC 240690a_100000209981_100000210968 [0,2,0,0,0,0|1,0,0]=3 7523 B9R0.34 CCC(C)NC(=O)COC 34a_100138415774_100000182745 [0,2,0,0,0,0|1,0,0]=3 7524 B9R0.34 CCC(C)NC(=O)COC 527a_100000209981_100000210968 [0,2,0,0,0,0|1,0,0]=3 7525 B9R0.34 CCC(C)NC(=O)CSC 11a_100000209981_100000184570 [0,2,0,0,0,0|1,0,0]=3 7526 B9R0.34 CCC(C)NC(=O)CSC 1626a_100000209981_100000184570 [0,2,0,0,0,0|1,0,0]=3 7527 B9R0.34 CCC(C)NC(=O)CSC 240690a_100000209981_100000184570 [0,2,0,0,0,0|1,0,0]=3 7528 B9R0.34 CCC(C)NC(=O)CSC 527a_100000209981_100000184570 [0,2,0,0,0,0|1,0,0]=3 7529 B9R0.34 CCC(C)NC(=O)CSC 62a_100000182745_200000210301 [0,2,0,0,0,0|1,0,0]=3 7530 B9R0.34 CCC(C)NC(=O)CSC 62a_200000210301_100000182745 [0,2,0,0,0,0|1,0,0]=3 7531 B9R0.34 CCC(C)NC(=O)CS[13CH3] 62a_100000182745_200025704644 [0,2,0,0,0,0|1,0,0]=3 7532 B9R0.34 CCC(C)NC(=O)CS[13CH3] 62a_200025704644_100000182745 [0,2,0,0,0,0|1,0,0]=3 7533 B9R0.34 CCC(C)NC(=O)NNC 273464a_100000209981_100016993582 [0,2,0,0,0,0|2,0,0]=4 7534 B9R0.34 CCC(C)NC(=O)NNC 512a_100000209981_100016993582 [0,2,0,0,0,0|2,0,0]=4 7535 B9R0.34 CCC(C)NC(=O)NNC 512a_100016993582_100000209981 [0,2,0,0,0,0|2,0,0]=4 7536 B9R0.34 CCC(O)CC(=O)C=CBr 1458a_100016273825_100011218378 [0,2,0,0,0,0|0,0,2]=4 7537 B9R0.34 CCC(O)CC(=O)C=CCl 1458a_200016279998_100011218378 [0,2,0,0,0,0|0,0,2]=4 7538 B9R0.34 CCC(O)CC(=O)C=CI 1458a_100016256311_100011218378 [0,2,0,0,0,0|0,0,2]=4 7539 B9R0.34 CCC(O)CC(=O)CC#N 1458a_100011667805_100011214920 [0,2,0,0,0,0|0,0,1]=3 7540 B9R0.34 CCC(O)CC(=O)CC#N 1458a_100051588842_100011218378 [0,2,0,0,0,0|0,0,1]=3 7541 B9R0.34 CCC(O)CC(=O)CCF 1458a_100011667805_100011217306 [0,2,0,0,0,0|0,0,0]=2 7542 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011216618_100011218378 [0,2,0,0,0,0|0,0,0]=2 7543 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011667805_100000211926 [0,2,0,0,0,0|0,0,0]=2 7544 B9R0.34 CCC(O)CC(=O)COC 1458a_100000210968_100011218378 [0,2,0,0,0,0|0,0,0]=2 7545 B9R0.34 CCC(O)CC(=O)CSC 1458a_100000184570_100011218378 [0,2,0,0,0,0|0,0,0]=2 7546 B9R0.34 CCC(O)CC(=O)NNC 22a_100016993582_100011667805 [0,2,0,0,0,0|1,0,0]=3 7547 B9R0.34 CCC(O)CN(C)CCO 2230a_100000210263_100011218378 [0,2,0,0,0,0|2,0,0]=4 7548 B9R0.34 CCC(O)CN(C)CCO 269982a_100000210263_100011218378 [0,2,0,0,0,0|2,0,0]=4 7549 B9R0.34 CCCC(=CC(=O)CC)C 1458a_100020676950_100000210202 [0,2,0,0,0,0|0,0,1]=3 7550 B9R0.34 CCCC(=CC(=O)CF)C 1458a_100020676950_100015361967 [0,2,0,0,0,0|1,0,1]=4 7551 B9R0.34 CCCC(=CC(=O)NC)C 11a_106832991635_100020676950 [0,2,0,0,0,0|1,0,1]=4 7552 B9R0.34 CCCC(=CC(=O)NC)C 1626a_100102657272_100020676950 [0,2,0,0,0,0|1,0,1]=4 7553 B9R0.34 CCCC(=CC(=O)NC)C 240690a_100102657272_100020676950 [0,2,0,0,0,0|1,0,1]=4 7554 B9R0.34 CCCC(=O)C=C(C)CC 1458a_100020758463_100000210303 [0,2,0,0,0,0|0,0,2]=4 7555 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000210414_100000747444 [0,2,0,0,0,0|0,0,0]=2 7556 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000211992_100000747405 [0,2,0,0,0,0|0,0,0]=2 7557 B9R0.34 CCCC(=O)CC(=O)CO 1458a_100000210174_100000747444 [0,2,0,0,0,0|1,0,0]=3 7558 B9R0.34 CCCC(=O)CC(=O)NC 1458a_100000211992_100000183359 [0,2,0,0,0,0|1,0,0]=3 7559 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211351_100000210303 [0,2,0,0,0,0|1,0,0]=3 7560 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211992_100000747449 [0,2,0,0,0,0|1,0,0]=3 7561 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000211992_100000748023 [0,2,0,0,0,0|0,0,0]=2 7562 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000708755_100000210303 [0,2,0,0,0,0|0,0,0]=2 7563 B9R0.34 CCCC(=O)CC(O)CC 1458a_100000211992_100011218378 [0,2,0,0,0,0|0,0,0]=2 7564 B9R0.34 CCCC(=O)CC(O)CC 1458a_100011667805_100000210303 [0,2,0,0,0,0|0,0,0]=2 7565 B9R0.34 CCCC(=O)CN(C)CC 1458a_100116209913_100000210303 [0,2,0,0,0,0|1,0,0]=3 7566 B9R0.34 CCCC(=O)CN(C)CC 2230a_100000225621_100000747444 [0,2,0,0,0,0|1,0,0]=3 7567 B9R0.34 CCCC(=O)CN(C)CC 269982a_100000225621_100000747444 [0,2,0,0,0,0|1,0,0]=3 7568 B9R0.34 CCCC(=O)C[C@@H](C)CC 1458a_100000211992_100009816398 [0,2,0,0,0,0|0,0,0]=2 7569 B9R0.34 CCCC(=O)C[C@@H](C)CO 1458a_100000211992_100000059175 [0,2,0,0,0,0|1,0,0]=3 7570 B9R0.34 CCCC(=O)NC(C)CC 11a_100000209981_100000211992 [0,2,0,0,0,0|1,0,0]=3 7571 B9R0.34 CCCC(=O)NC(C)CC 1626a_100000209981_100000211992 [0,2,0,0,0,0|1,0,0]=3 7572 B9R0.34 CCCC(=O)NC(C)CC 240690a_100000209981_100000211992 [0,2,0,0,0,0|1,0,0]=3 7573 B9R0.34 CCCC(=O)NC(C)CC 527a_100000209981_100000211992 [0,2,0,0,0,0|1,0,0]=3 7574 B9R0.34 CCCC(=O)N[C@H](C)CF 11a_100102880703_100000211992 [0,2,0,0,0,0|2,0,0]=4 7575 B9R0.34 CCCC(=O)N[C@H](C)CF 1626a_100102880703_100000211992 [0,2,0,0,0,0|2,0,0]=4 7576 B9R0.34 CCCC(=O)N[C@H](C)CF 240690a_100102880703_100000211992 [0,2,0,0,0,0|2,0,0]=4 7577 B9R0.34 CCCC(=O)N[C@H](C)CF 527a_100102880703_100000211992 [0,2,0,0,0,0|2,0,0]=4 7578 B9R0.34 CCCC(=O)N[C@H](C)CO 240690a_100000737577_100000211992 [0,2,0,0,0,0|2,0,0]=4 7579 B9R0.34 CCCC(=O)N[C@H](C)CO 527a_100000737577_100000211992 [0,2,0,0,0,0|2,0,0]=4 7580 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000210414_100011216630 [0,2,0,0,0,0|0,0,0]=2 7581 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000748435_100000210202 [0,2,0,0,0,0|0,0,0]=2 7582 B9R0.34 CCCC(C)CC(=O)CF 1458a_100000748435_100015361967 [0,2,0,0,0,0|1,0,0]=3 7583 B9R0.34 CCCC(C)CC(=O)CO 1458a_100000210174_100011216630 [0,2,0,0,0,0|1,0,0]=3 7584 B9R0.34 CCCC(C)CC(=O)NC 11a_106832991635_100000748435 [0,2,0,0,0,0|1,0,0]=3 7585 B9R0.34 CCCC(C)CC(=O)NC 1626a_100102657272_100000748435 [0,2,0,0,0,0|1,0,0]=3 7586 B9R0.34 CCCC(C)CC(=O)NC 240690a_100102657272_100000748435 [0,2,0,0,0,0|1,0,0]=3 7587 B9R0.34 CCCC(C)CC(=O)NC 527a_100102657272_100000748435 [0,2,0,0,0,0|1,0,0]=3 7588 B9R0.34 CCCC(C)CN(C)CC 2230a_100000225621_100011216630 [0,2,0,0,0,0|2,0,0]=4 7589 B9R0.34 CCCC(C)CN(C)CC 269982a_100000225621_100011216630 [0,2,0,0,0,0|2,0,0]=4 7590 B9R0.34 CCCC(C)NC(=O)CC 11a_100000741246_100000210414 [0,2,0,0,0,0|0,0,0]=2 7591 B9R0.34 CCCC(C)NC(=O)CC 1626a_100000741246_100000210414 [0,2,0,0,0,0|0,0,0]=2 7592 B9R0.34 CCCC(C)NC(=O)CC 240690a_100000741246_100000210414 [0,2,0,0,0,0|0,0,0]=2 7593 B9R0.34 CCCC(C)NC(=O)CC 527a_100000741246_100000210414 [0,2,0,0,0,0|0,0,0]=2 7594 B9R0.34 CCCC(C)NC(=O)CO 240690a_100000741246_100000210174 [0,2,0,0,0,0|1,0,0]=3 7595 B9R0.34 CCCC(C)NC(=O)CO 527a_100000741246_100000210174 [0,2,0,0,0,0|1,0,0]=3 7596 B9R0.34 CCCC(C)NC(=O)NC 2708a_100000741246_106832991635 [0,2,0,0,0,0|1,0,0]=3 7597 B9R0.34 CCCC(C)NC(=O)NC 2708a_100102657272_100000741246 [0,2,0,0,0,0|1,0,0]=3 7598 B9R0.34 CCCC(C)NC(=O)NC 273464a_100000741246_100102657272 [0,2,0,0,0,0|1,0,0]=3 7599 B9R0.34 CCCC(C)NC(=O)NC 512a_100000741246_100102657272 [0,2,0,0,0,0|1,0,0]=3 7600 B9R0.34 CCCC(C)NC(=O)NC 512a_106832991638_100000741246 [0,2,0,0,0,0|1,0,0]=3 7601 B9R0.34 CCCC(C)NC(C)CC 2230a_100000209981_100000766640 [0,2,0,0,0,0|1,0,1]=4 7602 B9R0.34 CCCC(C)NC(C)CC 2230a_100000741246_100000758301 [0,2,0,0,0,0|1,0,1]=4 7603 B9R0.34 CCCC(C)NC(C)CC 270004a_100000209981_100000211909 [0,2,0,0,0,0|1,0,1]=4 7604 B9R0.34 CCCC(C)OC(C)CC 34a_100000764384_100011215416 [0,2,0,0,0,0|1,0,1]=4 7605 B9R0.34 CCCC(C)OC(C)CC 7a_100000210228_100000766640 [0,2,0,0,0,0|1,0,1]=4 7606 B9R0.34 CCCC(C)OC(C)CC 7a_100000764384_100000758301 [0,2,0,0,0,0|1,0,1]=4 7607 B9R0.34 CCCC(C)SC(C)CC 62a_100000758301_100000766640 [0,2,0,0,0,0|1,0,1]=4 7608 B9R0.34 CCCC(C)SC(C)CC 62a_100000766640_100000758301 [0,2,0,0,0,0|1,0,1]=4 7609 B9R0.34 CCCN(C)CC(=O)CC 269982a_100000747261_100000747405 [0,2,0,0,0,0|0,0,0]=2 7610 B9R0.34 CCCN(C)CC(=O)NC 2230a_100000189611_100000210303 [0,2,0,0,0,0|1,0,0]=3 7611 B9R0.34 CCCN(C)CC(=O)NC 2230a_100000747261_100000183359 [0,2,0,0,0,0|1,0,0]=3 7612 B9R0.34 CCCN(C)CC(=O)NC 269982a_100000747261_100000183359 [0,2,0,0,0,0|1,0,0]=3 7613 B9R0.34 CCCN(C)CC(=O)OC 2230a_100000198492_100000210303 [0,2,0,0,0,0|1,0,0]=3 7614 B9R0.34 CCCN(C)CC(=O)OC 2230a_100000747261_100000747449 [0,2,0,0,0,0|1,0,0]=3 7615 B9R0.34 CCCN(C)CC(=O)OC 269982a_100000747261_100000747449 [0,2,0,0,0,0|1,0,0]=3 7616 B9R0.34 CCCN(C)CC(C)CC 2230a_100000747261_100000748023 [0,2,0,0,0,0|1,0,1]=4 7617 B9R0.34 CCCN(C)CC(C)CC 2230a_100000753921_100000210303 [0,2,0,0,0,0|1,0,1]=4 7618 B9R0.34 CCCN(C)CC(C)CC 269982a_100000747261_100000748023 [0,2,0,0,0,0|1,0,1]=4 7619 B9R0.34 CCCN(C)CC(C)CC 269982a_100000753921_100000210303 [0,2,0,0,0,0|1,0,1]=4 7620 B9R0.34 CCCN(C)CC(C)CC 270004a_100000747261_100000243153 [0,2,0,0,0,0|1,0,1]=4 7621 B9R0.34 CCCN(C)CC(O)CC 2230a_100000747261_100011218378 [0,2,0,0,0,0|0,0,2]=4 7622 B9R0.34 CCCN(C)CC(O)CC 269982a_100000747261_100011218378 [0,2,0,0,0,0|0,0,2]=4 7623 B9R0.34 CCCN(C)C[C@@H](C)CC 2230a_100000747261_100009816398 [0,2,0,0,0,0|1,0,1]=4 7624 B9R0.34 CCCN(C)C[C@@H](C)CC 269982a_100000747261_100009816398 [0,2,0,0,0,0|1,0,1]=4 7625 B9R0.34 CCCS(=O)CC(=O)CC 1458a_100011387404_100000210202 [0,2,0,0,0,0|0,0,0]=2 7626 B9R0.34 CCCS(=O)CC(=O)CF 1458a_100011387404_100015361967 [0,2,0,0,0,0|1,0,0]=3 7627 B9R0.34 CCCS(=O)CC(=O)NC 11a_106832991635_100011387404 [0,2,0,0,0,0|1,0,0]=3 7628 B9R0.34 CCCS(=O)CC(=O)NC 1626a_100102657272_100011387404 [0,2,0,0,0,0|1,0,0]=3 7629 B9R0.34 CCCS(=O)CC(=O)NC 240690a_100102657272_100011387404 [0,2,0,0,0,0|1,0,0]=3 7630 B9R0.34 CCCS(=O)CC(=O)NC 527a_100102657272_100011387404 [0,2,0,0,0,0|1,0,0]=3 7631 B9R0.34 CCN(C)CC(=O)CC#N 1458a_100116209913_100011214920 [0,2,0,0,0,0|1,0,1]=4 7632 B9R0.34 CCN(C)CC(=O)CCF 1458a_100116209913_100011217306 [0,2,0,0,0,0|1,0,0]=3 7633 B9R0.34 CCN(C)CC(=O)CCO 1458a_100116209913_100000211926 [0,2,0,0,0,0|1,0,0]=3 7634 B9R0.34 CCN(C)CC(=O)NCO 2230a_100000225621_100000185155 [0,2,0,0,0,0|2,0,0]=4 7635 B9R0.34 CCN(C)CC(=O)NCO 269982a_100000225621_100000185155 [0,2,0,0,0,0|2,0,0]=4 7636 B9R0.34 CCN(C)CC(=O)NNC 22a_100016993582_100116209913 [0,2,0,0,0,0|2,0,0]=4 7637 B9R0.34 CCN(C)CC(O)COC 2230a_100000739405_100000210202 [0,2,0,0,0,0|2,0,0]=4 7638 B9R0.34 CCN(C)CC(O)COC 269982a_100000739405_100000204670 [0,2,0,0,0,0|2,0,0]=4 7639 B9R0.34 CCNC(=O)C=C(C)CC 11a_100015525214_100020758463 [0,2,0,0,0,0|0,0,2]=4 7640 B9R0.34 CCNC(=O)C=C(C)CC 240690a_100015525214_100020758463 [0,2,0,0,0,0|0,0,2]=4 7641 B9R0.34 CCNC(=O)CC(=O)CC 1458a_100000210414_100000183381 [0,2,0,0,0,0|0,0,1]=3 7642 B9R0.34 CCNC(=O)CC(=O)CO 1458a_100000210174_100000183381 [0,2,0,0,0,0|1,0,1]=4 7643 B9R0.34 CCNC(=O)CC(=O)OC 240690a_100015525214_100000211351 [0,2,0,0,0,0|1,0,1]=4 7644 B9R0.34 CCNC(=O)CC(C)CC 11a_100015525214_100000708755 [0,2,0,0,0,0|0,0,0]=2 7645 B9R0.34 CCNC(=O)CC(C)CC 240690a_100015525214_100000708755 [0,2,0,0,0,0|0,0,0]=2 7646 B9R0.34 CCNC(=O)CC(C)CC 527a_100015525214_100000708755 [0,2,0,0,0,0|0,0,0]=2 7647 B9R0.34 CCNC(=O)CC(O)CC 240690a_100015525214_100011667805 [0,2,0,0,0,0|0,0,0]=2 7648 B9R0.34 CCNC(=O)CN(C)CC 2230a_100000225621_100000183381 [0,2,0,0,0,0|1,0,0]=3 7649 B9R0.34 CCNC(=O)CN(C)CC 2230a_100000741943_100000210202 [0,2,0,0,0,0|1,0,0]=3 7650 B9R0.34 CCNC(=O)CN(C)CC 240690a_100015525214_100116209913 [0,2,0,0,0,0|1,0,0]=3 7651 B9R0.34 CCNC(=O)CN(C)CC 269982a_100000225621_100000183381 [0,2,0,0,0,0|1,0,0]=3 7652 B9R0.34 CCNC(=O)CN(C)CC 269982a_100000741943_100000204670 [0,2,0,0,0,0|1,0,0]=3 7653 B9R0.34 CCNC(=O)CN(C)CC 527a_100015525214_100116209913 [0,2,0,0,0,0|1,0,0]=3 7654 B9R0.34 CCNC(=O)CN(C)CF 269982a_100000741943_100015361967 [0,2,0,0,0,0|2,0,0]=4 7655 B9R0.34 CCNC(=O)NC(C)CC 2708a_100000209981_100015525214 [0,2,0,0,0,0|1,0,0]=3 7656 B9R0.34 CCNC(=O)NC(C)CC 2708a_100015525214_100000209981 [0,2,0,0,0,0|1,0,0]=3 7657 B9R0.34 CCNC(=O)NC(C)CC 273464a_100000209981_100015525214 [0,2,0,0,0,0|1,0,0]=3 7658 B9R0.34 CCNC(=O)NC(C)CC 273464a_100015525214_100000209981 [0,2,0,0,0,0|1,0,0]=3 7659 B9R0.34 CCNC(=O)NC(C)CC 512a_100000209981_100015525214 [0,2,0,0,0,0|1,0,0]=3 7660 B9R0.34 CCNC(=O)NC(C)CC 512a_100015525214_100000209981 [0,2,0,0,0,0|1,0,0]=3 7661 B9R0.34 CCNC(=O)N[C@H](C)CF 2708a_100015525214_100102880703 [0,2,0,0,0,0|2,0,0]=4 7662 B9R0.34 CCNC(=O)N[C@H](C)CF 273464a_100015525214_100102880703 [0,2,0,0,0,0|2,0,0]=4 7663 B9R0.34 CCNC(=O)N[C@H](C)CF 273464a_100102880703_100015525214 [0,2,0,0,0,0|2,0,0]=4 7664 B9R0.34 CCNC(=O)N[C@H](C)CF 512a_100015525214_100102880703 [0,2,0,0,0,0|2,0,0]=4 7665 B9R0.34 CCNC(=O)N[C@H](C)CF 512a_100102880703_100015525214 [0,2,0,0,0,0|2,0,0]=4 7666 B9R0.34 CCNC(=O)N[C@H](C)CO 2708a_100015525214_100000737577 [0,2,0,0,0,0|2,0,0]=4 7667 B9R0.34 CCNC(=O)N[C@H](C)CO 273464a_100000737577_100015525214 [0,2,0,0,0,0|2,0,0]=4 7668 B9R0.34 CCNC(=O)N[C@H](C)CO 512a_100000737577_100015525214 [0,2,0,0,0,0|2,0,0]=4 7669 B9R0.34 CCNC(=O)N[C@H](C)CO 512a_100015525214_100000737577 [0,2,0,0,0,0|2,0,0]=4 7670 B9R0.34 CCNC(C)CC(=O)OC 2230a_100015525214_100009817358 [0,2,0,0,0,0|1,0,0]=3 7671 B9R0.34 CCNC(C)CC(C)CC 2230a_100000763565_100000210202 [0,2,0,0,0,0|1,0,1]=4 7672 B9R0.34 CCNC(C)CC(C)CC 270004a_100015525214_100011710205 [0,2,0,0,0,0|1,0,1]=4 7673 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000210414_100000188475 [0,2,0,0,0,0|0,0,1]=3 7674 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000243816_100000210202 [0,2,0,0,0,0|0,0,1]=3 7675 B9R0.34 CCOC(=O)CC(=O)CF 1458a_100000243816_100015361967 [0,2,0,0,0,0|1,0,1]=4 7676 B9R0.34 CCOC(=O)CC(=O)CO 1458a_100000210174_100000188475 [0,2,0,0,0,0|1,0,1]=4 7677 B9R0.34 CCOC(=O)CC(=O)NC 240690a_100102657272_100000243816 [0,2,0,0,0,0|1,0,1]=4 7678 B9R0.34 CCOC(=O)CC(C)NC 2230a_106832991635_100009817359 [0,2,0,0,0,0|1,0,0]=3 7679 B9R0.34 CCOC(=O)CC(C)NC 7a_106832991635_100009817359 [0,2,0,0,0,0|1,0,0]=3 7680 B9R0.34 CCOC(=O)CC(C)SC 62a_100009817359_200000210301 [0,2,0,0,0,0|1,0,0]=3 7681 B9R0.34 CCOC(=O)CC(C)SC 62a_200000210301_100009817359 [0,2,0,0,0,0|1,0,0]=3 7682 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_100009817359_200025704644 [0,2,0,0,0,0|1,0,0]=3 7683 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_200025704644_100009817359 [0,2,0,0,0,0|1,0,0]=3 7684 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220588_100000210202 [0,2,0,0,0,0|1,0,0]=3 7685 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220607_200000210301 [0,2,0,0,0,0|1,0,0]=3 7686 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000225621_100000188475 [0,2,0,0,0,0|1,0,0]=3 7687 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000220607_200000210301 [0,2,0,0,0,0|1,0,0]=3 7688 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000225621_100000188475 [0,2,0,0,0,0|1,0,0]=3 7689 B9R0.34 CCOC(=O)CN([13CH3])CC 2230a_100000220607_200025704644 [0,2,0,0,0,0|1,0,0]=3 7690 B9R0.34 CCOC(=O)CN([13CH3])CC 269982a_100000220607_200025704644 [0,2,0,0,0,0|1,0,0]=3 7691 B9R0.34 CCOC(=O)C[C@@H](C)OC 7a_100009816390_200000210301 [0,2,0,0,0,0|1,0,0]=3 7692 B9R0.34 CCOC(=O)C[C@@H](C)O[13CH3] 7a_100009816390_200025704644 [0,2,0,0,0,0|1,0,0]=3 7693 B9R0.34 CCOC(=O)OC(C)SC 62a_100000036008_200000210301 [0,2,0,0,0,0|2,0,0]=4 7694 B9R0.34 CCOC(=O)OC(C)SC 62a_200000210301_100000036008 [0,2,0,0,0,0|2,0,0]=4 7695 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_100000036008_200025704644 [0,2,0,0,0,0|2,0,0]=4 7696 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_200025704644_100000036008 [0,2,0,0,0,0|2,0,0]=4 7697 B9R0.34 CCOC(C)CC(=O)OC 34a_100121572206_100009817358 [0,2,0,0,0,0|1,0,0]=3 7698 B9R0.34 CCSC(C)CC(=O)CC 1458a_200011311441_100000210202 [0,2,0,0,0,0|0,0,0]=2 7699 B9R0.34 CCSC(C)CC(=O)CF 1458a_200011311441_100015361967 [0,2,0,0,0,0|1,0,0]=3 7700 B9R0.34 CCSC(C)CC(=O)NC 11a_106832991635_200011311441 [0,2,0,0,0,0|1,0,0]=3 7701 B9R0.34 CCSC(C)CC(=O)NC 1626a_100102657272_200011311441 [0,2,0,0,0,0|1,0,0]=3 7702 B9R0.34 CCSC(C)CC(=O)NC 240690a_100102657272_200011311441 [0,2,0,0,0,0|1,0,0]=3 7703 B9R0.34 CCSC(C)CC(=O)NC 527a_100102657272_200011311441 [0,2,0,0,0,0|1,0,0]=3 7704 B9R0.34 CCSC(C)CC(=O)OC 62a_100000210202_100009817358 [0,2,0,0,0,0|1,0,0]=3 7705 B9R0.34 CCSC(C)CC(=O)OC 62a_100009817358_100000210202 [0,2,0,0,0,0|1,0,0]=3 7706 B9R0.34 CC[C@H](C)CC(=O)C=CBr 1458a_100016273825_100009816398 [0,2,0,0,0,0|0,0,2]=4 7707 B9R0.34 CC[C@H](C)CC(=O)C=CCl 1458a_200016279998_100009816398 [0,2,0,0,0,0|0,0,2]=4 7708 B9R0.34 CC[C@H](C)CC(=O)C=CI 1458a_100016256311_100009816398 [0,2,0,0,0,0|0,0,2]=4 7709 B9R0.34 CC[C@H](C)CC(=O)CC#N 1458a_100051588842_100009816398 [0,2,0,0,0,0|0,0,1]=3 7710 B9R0.34 CC[C@H](C)CC(=O)CCO 1458a_100011216618_100009816398 [0,2,0,0,0,0|0,0,0]=2 7711 B9R0.34 CC[C@H](C)CC(=O)COC 1458a_100000210968_100009816398 [0,2,0,0,0,0|0,0,0]=2 7712 B9R0.34 CC[C@H](C)CC(=O)CSC 1458a_100000184570_100009816398 [0,2,0,0,0,0|0,0,0]=2 7713 B9R0.34 CC[C@H](C)CN(C)CCO 2230a_100000210263_100009816398 [0,2,0,0,0,0|2,0,0]=4 7714 B9R0.34 CC[C@H](C)CN(C)CCO 269982a_100000210263_100009816398 [0,2,0,0,0,0|2,0,0]=4 7715 B9R0.34 CNC(=O)CC(=O)CCO 1458a_100011216618_100000183359 [0,2,0,0,0,0|1,0,1]=4 7716 B9R0.34 CNC(=O)CC(=O)COC 1458a_100000210968_100000183359 [0,2,0,0,0,0|1,0,1]=4 7717 B9R0.34 CNC(=O)CC(=O)CSC 1458a_100000184570_100000183359 [0,2,0,0,0,0|1,0,1]=4 7718 B9R0.34 CNC(=O)CN(C)CCF 2230a_100000189611_100011217306 [0,2,0,0,0,0|2,0,0]=4 7719 B9R0.34 CNC(=O)CN(C)CCO 2230a_100000189611_100000211926 [0,2,0,0,0,0|2,0,0]=4 7720 B9R0.34 CNC(=O)CN(C)CCO 2230a_100000210263_100000183359 [0,2,0,0,0,0|2,0,0]=4 7721 B9R0.34 CNC(=O)CN(C)CCO 269982a_100000210263_100000183359 [0,2,0,0,0,0|2,0,0]=4 7722 B9R0.34 CNC(=O)CN(C)COC 2230a_100000189611_100000766300 [0,2,0,0,0,0|2,0,0]=4 7723 B9R0.34 CNC(=O)CN(C)CSC 2230a_100000189611_100011218213 [0,2,0,0,0,0|2,0,0]=4 7724 B9R0.34 CNC(=O)N[C@H](C)CCO 2708a_100102657272_100000706166 [0,2,0,0,0,0|2,0,0]=4 7725 B9R0.34 CNC(=O)N[C@H](C)CCO 273464a_100000706166_100102657272 [0,2,0,0,0,0|2,0,0]=4 7726 B9R0.34 CNC(=O)N[C@H](C)CCO 512a_100000706166_100102657272 [0,2,0,0,0,0|2,0,0]=4 7727 B9R0.34 CNC(=O)N[C@H](C)CCO 512a_106832991638_100000706166 [0,2,0,0,0,0|2,0,0]=4 7728 B9R0.34 CNC(=O)N[C@H](C)COC 2708a_100000764878_106832991635 [0,2,0,0,0,0|2,0,0]=4 7729 B9R0.34 CNC(=O)N[C@H](C)COC 2708a_100102657272_100000764878 [0,2,0,0,0,0|2,0,0]=4 7730 B9R0.34 CNC(=O)N[C@H](C)COC 273464a_100000764878_100102657272 [0,2,0,0,0,0|2,0,0]=4 7731 B9R0.34 CNC(=O)N[C@H](C)COC 273464a_100102657272_100000764878 [0,2,0,0,0,0|2,0,0]=4 7732 B9R0.34 CNC(=O)N[C@H](C)COC 512a_100000764878_100102657272 [0,2,0,0,0,0|2,0,0]=4 7733 B9R0.34 CNC(=O)N[C@H](C)COC 512a_106832991638_100000764878 [0,2,0,0,0,0|2,0,0]=4 7734 B9R0.34 CNC[C@H](O)CC(=O)OC 34a_100102657272_100000754131 [0,2,0,0,0,0|1,0,0]=3 7735 B9R0.34 CNC[C@H](O)CC(=O)OC 7a_106832991635_100000754131 [0,2,0,0,0,0|1,0,0]=3 7736 B9R0.34 COC(=O)CC(=O)CCF 1458a_100000211351_100011217306 [0,2,0,0,0,0|1,0,1]=4 7737 B9R0.34 COC(=O)CC(=O)CCO 1458a_100000211351_100000211926 [0,2,0,0,0,0|1,0,1]=4 7738 B9R0.34 COC(=O)CC(=O)CCO 1458a_100011216618_100000747449 [0,2,0,0,0,0|1,0,1]=4 7739 B9R0.34 COC(=O)CC(=O)CSC 1458a_100000184570_100000747449 [0,2,0,0,0,0|1,0,1]=4 7740 B9R0.34 COC(=O)CC(=O)CSC 62a_100000210525_200000210301 [0,2,0,0,0,0|1,0,1]=4 7741 B9R0.34 COC(=O)CC(=O)CSC 62a_200000210301_100000210525 [0,2,0,0,0,0|1,0,1]=4 7742 B9R0.34 COC(=O)CC(=O)CS[13CH3] 62a_100000210525_200025704644 [0,2,0,0,0,0|1,0,1]=4 7743 B9R0.34 COC(=O)CC(=O)CS[13CH3] 62a_200025704644_100000210525 [0,2,0,0,0,0|1,0,1]=4 7744 B9R0.34 COC(=O)CC(C)SCF 62a_100009817358_100015361967 [0,2,0,0,0,0|2,0,0]=4 7745 B9R0.34 COC(=O)CC(C)SCF 62a_100015361967_100009817358 [0,2,0,0,0,0|2,0,0]=4 7746 B9R0.34 COC(=O)CN(C)CCF 2230a_100000198492_100011217306 [0,2,0,0,0,0|2,0,0]=4 7747 B9R0.34 COC(=O)CN(C)CCO 2230a_100000198492_100000211926 [0,2,0,0,0,0|2,0,0]=4 7748 B9R0.34 COC(=O)CN(C)CCO 2230a_100000210263_100000747449 [0,2,0,0,0,0|2,0,0]=4 7749 B9R0.34 COC(=O)CN(C)CCO 269982a_100000210263_100000747449 [0,2,0,0,0,0|2,0,0]=4 7750 B9R0.34 COC(=O)CN(C)CSC 2230a_100000198492_100011218213 [0,2,0,0,0,0|2,0,0]=4 7751 B9R0.34 COC(=O)C[C@@H](O)CSC 62a_100000754131_200000210301 [0,2,0,0,0,0|1,0,0]=3 7752 B9R0.34 COC(=O)C[C@@H](O)CSC 62a_200000210301_100000754131 [0,2,0,0,0,0|1,0,0]=3 7753 B9R0.34 COC(=O)C[C@@H](O)CS[13CH3] 62a_100000754131_200025704644 [0,2,0,0,0,0|1,0,0]=3 7754 B9R0.34 COC(=O)C[C@@H](O)CS[13CH3] 62a_200025704644_100000754131 [0,2,0,0,0,0|1,0,0]=3 7755 B9R0.34 COCC(=O)CC(=O)OC 1458a_100000210968_100000747449 [0,2,0,0,0,0|1,0,1]=4 7756 B9R0.34 COCC(=O)C[C@@H](C)CO 1458a_100000210968_100000059175 [0,2,0,0,0,0|1,0,0]=3 7757 B9R0.34 COCC(=O)N[C@H](C)CF 11a_100102880703_100000210968 [0,2,0,0,0,0|2,0,0]=4 7758 B9R0.34 COCC(=O)N[C@H](C)CF 1626a_100102880703_100000210968 [0,2,0,0,0,0|2,0,0]=4 7759 B9R0.34 COCC(=O)N[C@H](C)CF 240690a_100102880703_100000210968 [0,2,0,0,0,0|2,0,0]=4 7760 B9R0.34 COCC(=O)N[C@H](C)CF 527a_100102880703_100000210968 [0,2,0,0,0,0|2,0,0]=4 7761 B9R0.34 COCC(=O)N[C@H](C)CO 240690a_100000737577_100000210968 [0,2,0,0,0,0|2,0,0]=4 7762 B9R0.34 COCC(=O)N[C@H](C)CO 527a_100000737577_100000210968 [0,2,0,0,0,0|2,0,0]=4 7763 B9R0.34 COCN(C)CC(=O)OC 2230a_100000198492_100000766300 [0,2,0,0,0,0|2,0,0]=4 7764 B9R0.34 COC[C@@H](C)NC(=O)CO 240690a_100000764878_100000210174 [0,2,0,0,0,0|2,0,0]=4 7765 B9R0.34 COC[C@@H](C)NC(=O)CO 527a_100000764878_100000210174 [0,2,0,0,0,0|2,0,0]=4 7766 B9R0.34 COC[C@H](O)CC(=O)OC 34a_100138415774_100000754131 [0,2,0,0,0,0|1,0,0]=3 7767 B9R0.34 CSCC(=O)C[C@@H](C)CO 1458a_100000184570_100000059175 [0,2,0,0,0,0|1,0,0]=3 7768 B9R0.34 CSCC(=O)N[C@H](C)CF 11a_100102880703_100000184570 [0,2,0,0,0,0|2,0,0]=4 7769 B9R0.34 CSCC(=O)N[C@H](C)CF 1626a_100102880703_100000184570 [0,2,0,0,0,0|2,0,0]=4 7770 B9R0.34 CSCC(=O)N[C@H](C)CF 240690a_100102880703_100000184570 [0,2,0,0,0,0|2,0,0]=4 7771 B9R0.34 CSCC(=O)N[C@H](C)CF 527a_100102880703_100000184570 [0,2,0,0,0,0|2,0,0]=4 7772 B9R0.34 CSCC(=O)N[C@H](C)CO 240690a_100000737577_100000184570 [0,2,0,0,0,0|2,0,0]=4 7773 B9R0.34 CSCC(=O)N[C@H](C)CO 527a_100000737577_100000184570 [0,2,0,0,0,0|2,0,0]=4 7774 B9R0.34 C[C@@H](CO)CC(=O)CC#N 1458a_100051588842_100000059175 [0,2,0,0,0,0|1,0,1]=4 7775 B9R0.34 C[C@@H](CO)CC(=O)CCO 1458a_100011216618_100000059175 [0,2,0,0,0,0|1,0,0]=3 7776 B9R0.34 C[C@H](CCO)NC(=O)CO 240690a_100000706166_100000210174 [0,2,0,0,0,0|2,0,0]=4 7777 B9R0.34 C[C@H](CCO)NC(=O)CO 527a_100000706166_100000210174 [0,2,0,0,0,0|2,0,0]=4 7778 B9R0.34 C[C@H](CF)NC(=O)CCO 240690a_100102880703_100011216618 [0,2,0,0,0,0|2,0,0]=4 7779 B9R0.34 C[C@H](CO)NC(=O)CCO 240690a_100000737577_100011216618 [0,2,0,0,0,0|2,0,0]=4 7780 B9R0.35 C#CCC(=O)C(C)CCC 1458a_100000210906_100000184674 [0,2,0,0,0,0|0,0,1]=3 7781 B9R0.35 C#CCC(=O)C(C)CCC 1458a_100011220946_100000766640 [0,2,0,0,0,0|0,0,1]=3 7782 B9R0.35 C#CCC(=O)C(C)CCO 1458a_100011220946_100009893172 [0,2,0,0,0,0|1,0,1]=4 7783 B9R0.35 C#CCC(=O)C(C)COC 1458a_100000751857_100000184674 [0,2,0,0,0,0|1,0,1]=4 7784 B9R0.35 C#CCC(=O)C(C)COC 1458a_100011220946_100000765312 [0,2,0,0,0,0|1,0,1]=4 7785 B9R0.35 C#CCC(=O)C(C)CSC 1458a_100000753918_100000184674 [0,2,0,0,0,0|1,0,1]=4 7786 B9R0.35 C#CCC(=O)C(C)OCC 1458a_100000739345_100000184674 [0,2,0,0,0,0|1,0,1]=4 7787 B9R0.35 C#CCC(=O)C(C)SCC 1458a_100000230601_100000184674 [0,2,0,0,0,0|1,0,1]=4 7788 B9R0.35 C#CCC(=O)N(C)CCC 1626a_100000747261_100011220946 [0,2,0,0,0,0|1,0,1]=4 7789 B9R0.35 C#CCC(=O)N(C)CCC 527a_100000747261_100011220946 [0,2,0,0,0,0|1,0,1]=4 7790 B9R0.35 C#CCC(=O)[C@@H](O)CCC 1458a_100009822183_100000184674 [0,2,0,0,0,0|0,0,1]=3 7791 B9R0.35 C=C(CNC)C(=O)OCC 34a_100102657272_100000755967 [0,2,0,0,0,0|1,0,1]=4 7792 B9R0.35 C=C(CNC)C(=O)OCC 7a_106832991635_100000755967 [0,2,0,0,0,0|1,0,1]=4 7793 B9R0.35 C=C(COC)C(=O)OCC 34a_100138415774_100000755967 [0,2,0,0,0,0|1,0,1]=4 7794 B9R0.35 C=C(CSC)C(=O)OCC 62a_100000755967_200000210301 [0,2,0,0,0,0|1,0,1]=4 7795 B9R0.35 C=C(CSC)C(=O)OCC 62a_200000210301_100000755967 [0,2,0,0,0,0|1,0,1]=4 7796 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_100000755967_200025704644 [0,2,0,0,0,0|1,0,1]=4 7797 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_200025704644_100000755967 [0,2,0,0,0,0|1,0,1]=4 7798 B9R0.35 C=CCC(=O)C(C)CCC 1458a_100000210193_100000766640 [0,2,0,0,0,0|0,0,1]=3 7799 B9R0.35 C=CCC(=O)C(C)CCC 1458a_100000210906_100000210623 [0,2,0,0,0,0|0,0,1]=3 7800 B9R0.35 C=CCC(=O)C(C)CCO 1458a_100000210193_100009893172 [0,2,0,0,0,0|1,0,1]=4 7801 B9R0.35 C=CCC(=O)C(C)COC 1458a_100000210193_100000765312 [0,2,0,0,0,0|1,0,1]=4 7802 B9R0.35 C=CCC(=O)C(C)COC 1458a_100000751857_100000210623 [0,2,0,0,0,0|1,0,1]=4 7803 B9R0.35 C=CCC(=O)C(C)CSC 1458a_100000753918_100000210623 [0,2,0,0,0,0|1,0,1]=4 7804 B9R0.35 C=CCC(=O)C(C)OCC 1458a_100000739345_100000210623 [0,2,0,0,0,0|1,0,1]=4 7805 B9R0.35 C=CCC(=O)C(C)SCC 1458a_100000230601_100000210623 [0,2,0,0,0,0|1,0,1]=4 7806 B9R0.35 C=CCC(=O)N(C)CCC 11a_100000747261_100000210193 [0,2,0,0,0,0|1,0,1]=4 7807 B9R0.35 C=CCC(=O)N(C)CCC 1626a_100000747261_100000210193 [0,2,0,0,0,0|1,0,1]=4 7808 B9R0.35 C=CCC(=O)N(C)CCC 240690a_100000747261_100000210193 [0,2,0,0,0,0|1,0,1]=4 7809 B9R0.35 C=CCC(=O)N(C)CCC 527a_100000747261_100000210193 [0,2,0,0,0,0|1,0,1]=4 7810 B9R0.35 C=CCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210623 [0,2,0,0,0,0|0,0,1]=3 7811 B9R0.35 C=CCC(C)C(=O)CCC 1458a_100011216819_100000210303 [0,2,0,0,0,0|0,0,2]=4 7812 B9R0.35 C=CCC(C)C(=O)CCF 1458a_100011216819_100011217306 [0,2,0,0,0,0|0,0,2]=4 7813 B9R0.35 C=CCC(C)C(=O)CCO 1458a_100011216819_100000211926 [0,2,0,0,0,0|0,0,2]=4 7814 B9R0.35 C=CCC(C)C(=O)NCC 11a_100015525214_100011216819 [0,2,0,0,0,0|0,0,2]=4 7815 B9R0.35 C=CCC(C)C(=O)NCC 240690a_100015525214_100011216819 [0,2,0,0,0,0|0,0,2]=4 7816 B9R0.35 C=CCC(C)C(=O)NCC 527a_100015525214_100011216819 [0,2,0,0,0,0|0,0,2]=4 7817 B9R0.35 CC#CC(=O)C(C)CCC 1458a_100000763181_100000766640 [0,2,0,0,0,0|0,0,1]=3 7818 B9R0.35 CC#CC(=O)C(C)CCO 1458a_100000763181_100009893172 [0,2,0,0,0,0|1,0,1]=4 7819 B9R0.35 CC#CC(=O)C(C)COC 1458a_100000763181_100000765312 [0,2,0,0,0,0|1,0,1]=4 7820 B9R0.35 CC(CC#N)C(=O)CCO 1458a_100011216618_100009813641 [0,2,0,0,0,0|1,0,1]=4 7821 B9R0.35 CC(CCO)C(=O)CC#N 1458a_100051588842_100009893172 [0,2,0,0,0,0|1,0,1]=4 7822 B9R0.35 CC(CCO)C(=O)CCO 1458a_100011216618_100009893172 [0,2,0,0,0,0|1,0,0]=3 7823 B9R0.35 CC/C=C(\C)/C(=O)CCC 1458a_100016988807_100000210303 [0,2,0,0,0,0|0,0,2]=4 7824 B9R0.35 CC/C=C(\C)/C(=O)CCF 1458a_100016988807_100011217306 [0,2,0,0,0,0|0,0,2]=4 7825 B9R0.35 CC/C=C(\C)/C(=O)CCO 1458a_100016988807_100000211926 [0,2,0,0,0,0|0,0,2]=4 7826 B9R0.35 CC/C=C(\C)/C(=O)NCC 11a_100015525214_100016988807 [0,2,0,0,0,0|0,0,2]=4 7827 B9R0.35 CC/C=C(\C)/C(=O)NCC 240690a_100015525214_100016988807 [0,2,0,0,0,0|0,0,2]=4 7828 B9R0.35 CC/C=C(\C)/C(=O)NCC 527a_100015525214_100016988807 [0,2,0,0,0,0|0,0,2]=4 7829 B9R0.35 CC=CC(=O)C(C)CCC 1458a_100000210699_100000766640 [0,2,0,0,0,0|0,0,1]=3 7830 B9R0.35 CC=CC(=O)C(C)CCO 1458a_100000210699_100009893172 [0,2,0,0,0,0|1,0,1]=4 7831 B9R0.35 CC=CC(=O)C(C)COC 1458a_100000210699_100000765312 [0,2,0,0,0,0|1,0,1]=4 7832 B9R0.35 CC=CC(=O)N(C)CCC 11a_100000747261_100000210699 [0,2,0,0,0,0|1,0,1]=4 7833 B9R0.35 CC=CC(=O)N(C)CCC 1626a_100000747261_100000210699 [0,2,0,0,0,0|1,0,1]=4 7834 B9R0.35 CC=CC(=O)N(C)CCC 240690a_100000747261_100000210699 [0,2,0,0,0,0|1,0,1]=4 7835 B9R0.35 CCCC(=O)C(=O)NCC 1458a_200011297158_100000210303 [0,2,0,0,0,0|0,0,1]=3 7836 B9R0.35 CCCC(=O)C(C)CC#N 1458a_100000211992_100009813641 [0,2,0,0,0,0|1,0,1]=4 7837 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000210906_100000210303 [0,2,0,0,0,0|0,0,0]=2 7838 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000211992_100000766640 [0,2,0,0,0,0|0,0,0]=2 7839 B9R0.35 CCCC(=O)C(C)CCO 1458a_100000211992_100009893172 [0,2,0,0,0,0|1,0,0]=3 7840 B9R0.35 CCCC(=O)C(C)COC 1458a_100000211992_100000765312 [0,2,0,0,0,0|1,0,0]=3 7841 B9R0.35 CCCC(=O)C(C)COC 1458a_100000751857_100000210303 [0,2,0,0,0,0|1,0,0]=3 7842 B9R0.35 CCCC(=O)C(C)CSC 1458a_100000753918_100000210303 [0,2,0,0,0,0|1,0,0]=3 7843 B9R0.35 CCCC(=O)C(C)OCC 1458a_100000739345_100000210303 [0,2,0,0,0,0|1,0,0]=3 7844 B9R0.35 CCCC(=O)C(C)SCC 1458a_100000230601_100000210303 [0,2,0,0,0,0|1,0,0]=3 7845 B9R0.35 CCCC(=O)N(C)CCC 11a_100000747261_100000211992 [0,2,0,0,0,0|1,0,0]=3 7846 B9R0.35 CCCC(=O)N(C)CCC 1626a_100000747261_100000211992 [0,2,0,0,0,0|1,0,0]=3 7847 B9R0.35 CCCC(=O)N(C)CCC 240690a_100000747261_100000211992 [0,2,0,0,0,0|1,0,0]=3 7848 B9R0.35 CCCC(=O)N(C)CCC 527a_100000747261_100000211992 [0,2,0,0,0,0|1,0,0]=3 7849 B9R0.35 CCCC(=O)N(C)CCO 240690a_100000210263_100000211992 [0,2,0,0,0,0|2,0,0]=4 7850 B9R0.35 CCCC(=O)N(C)CCO 527a_100000210263_100000211992 [0,2,0,0,0,0|2,0,0]=4 7851 B9R0.35 CCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210303 [0,2,0,0,0,0|0,0,0]=2 7852 B9R0.35 CCCC(C)C(=O)C=CBr 1458a_100016273825_100000766640 [0,2,0,0,0,0|0,0,2]=4 7853 B9R0.35 CCCC(C)C(=O)C=CCl 1458a_200016279998_100000766640 [0,2,0,0,0,0|0,0,2]=4 7854 B9R0.35 CCCC(C)C(=O)C=CI 1458a_100016256311_100000766640 [0,2,0,0,0,0|0,0,2]=4 7855 B9R0.35 CCCC(C)C(=O)CC#N 1458a_100000210906_100011214920 [0,2,0,0,0,0|0,0,1]=3 7856 B9R0.35 CCCC(C)C(=O)CC#N 1458a_100051588842_100000766640 [0,2,0,0,0,0|0,0,1]=3 7857 B9R0.35 CCCC(C)C(=O)CCF 1458a_100000210906_100011217306 [0,2,0,0,0,0|0,0,0]=2 7858 B9R0.35 CCCC(C)C(=O)CCO 1458a_100000210906_100000211926 [0,2,0,0,0,0|0,0,0]=2 7859 B9R0.35 CCCC(C)C(=O)CCO 1458a_100011216618_100000766640 [0,2,0,0,0,0|0,0,0]=2 7860 B9R0.35 CCCC(C)C(=O)COC 1458a_100000210968_100000766640 [0,2,0,0,0,0|0,0,0]=2 7861 B9R0.35 CCCC(C)C(=O)CSC 1458a_100000184570_100000766640 [0,2,0,0,0,0|0,0,0]=2 7862 B9R0.35 CCCC(C)C(=O)NCC 11a_100015525214_100000210906 [0,2,0,0,0,0|0,0,0]=2 7863 B9R0.35 CCCC(C)C(=O)NCC 240690a_100015525214_100000210906 [0,2,0,0,0,0|0,0,0]=2 7864 B9R0.35 CCCC(C)C(=O)NCC 527a_100015525214_100000210906 [0,2,0,0,0,0|0,0,0]=2 7865 B9R0.35 CCCC(C)C(=O)NNC 22a_100016993582_100000210906 [0,2,0,0,0,0|1,0,0]=3 7866 B9R0.35 CCCC(C)C(C)NCC 270004a_100015525214_100011216282 [0,2,0,0,0,0|1,0,1]=4 7867 B9R0.35 CCCC(C)C(C)OCC 34a_100000708338_100000210202 [0,2,0,0,0,0|1,0,1]=4 7868 B9R0.35 CCCC(C)C(C)OCC 7a_100000708338_100000210202 [0,2,0,0,0,0|1,0,1]=4 7869 B9R0.35 CCCC(C)N(C)CCC 2230a_100000747261_100000766640 [0,2,0,0,0,0|2,0,0]=4 7870 B9R0.35 CCCC(C)N(C)CCC 269982a_100000747261_100000766640 [0,2,0,0,0,0|2,0,0]=4 7871 B9R0.35 CCCC(C)N(C)CCC 270004a_100000747261_100000211909 [0,2,0,0,0,0|2,0,0]=4 7872 B9R0.35 CCCC(C)N(C)CCO 2230a_100000210263_100000766640 [0,2,0,0,0,0|2,0,0]=4 7873 B9R0.35 CCCC(C)N(C)CCO 269982a_100000210263_100000766640 [0,2,0,0,0,0|2,0,0]=4 7874 B9R0.35 CCCC(C)N(C)CCO 270004a_100000210263_100000211909 [0,2,0,0,0,0|2,0,0]=4 7875 B9R0.35 CCCN(C)C(=O)CC#N 1626a_100000747261_100051588842 [0,2,0,0,0,0|1,0,1]=4 7876 B9R0.35 CCCN(C)C(=O)CC#N 240690a_100000747261_100051588842 [0,2,0,0,0,0|1,0,1]=4 7877 B9R0.35 CCCN(C)C(=O)CCO 240690a_100000747261_100011216618 [0,2,0,0,0,0|1,0,0]=3 7878 B9R0.35 CCCN(C)C(=O)COC 11a_100000747261_100000210968 [0,2,0,0,0,0|1,0,0]=3 7879 B9R0.35 CCCN(C)C(=O)COC 1626a_100000747261_100000210968 [0,2,0,0,0,0|1,0,0]=3 7880 B9R0.35 CCCN(C)C(=O)COC 240690a_100000747261_100000210968 [0,2,0,0,0,0|1,0,0]=3 7881 B9R0.35 CCCN(C)C(=O)COC 527a_100000747261_100000210968 [0,2,0,0,0,0|1,0,0]=3 7882 B9R0.35 CCCN(C)C(=O)CSC 11a_100000747261_100000184570 [0,2,0,0,0,0|1,0,0]=3 7883 B9R0.35 CCCN(C)C(=O)CSC 1626a_100000747261_100000184570 [0,2,0,0,0,0|1,0,0]=3 7884 B9R0.35 CCCN(C)C(=O)CSC 240690a_100000747261_100000184570 [0,2,0,0,0,0|1,0,0]=3 7885 B9R0.35 CCCN(C)C(=O)CSC 527a_100000747261_100000184570 [0,2,0,0,0,0|1,0,0]=3 7886 B9R0.35 CCCN(C)C(=O)NCC 2708a_100015525214_100000747261 [0,2,0,0,0,0|1,0,0]=3 7887 B9R0.35 CCCN(C)C(=O)NCC 273464a_100015525214_100000747261 [0,2,0,0,0,0|1,0,0]=3 7888 B9R0.35 CCC[C@H](O)C(=O)CC#N 1458a_100009822183_100011214920 [0,2,0,0,0,0|0,0,1]=3 7889 B9R0.35 CCC[C@H](O)C(=O)CCF 1458a_100009822183_100011217306 [0,2,0,0,0,0|0,0,0]=2 7890 B9R0.35 CCC[C@H](O)C(=O)CCO 1458a_100009822183_100000211926 [0,2,0,0,0,0|0,0,0]=2 7891 B9R0.35 CCC[C@H](O)C(=O)NCC 240690a_100015525214_100009822183 [0,2,0,0,0,0|0,0,0]=2 7892 B9R0.35 CCC[C@H](O)C(=O)NNC 22a_100016993582_100009822183 [0,2,0,0,0,0|1,0,0]=3 7893 B9R0.35 CCNC(=O)C(=O)CCF 1458a_200011297158_100011217306 [0,2,0,0,0,0|1,0,1]=4 7894 B9R0.35 CCNC(=O)C(=O)CCO 1458a_200011297158_100000211926 [0,2,0,0,0,0|1,0,1]=4 7895 B9R0.35 CCNC(=O)C(=O)NCC 240690a_100015525214_200011297158 [0,2,0,0,0,0|1,0,1]=4 7896 B9R0.35 CCNC(=O)C(=O)NCC 527a_100015525214_200011297158 [0,2,0,0,0,0|1,0,1]=4 7897 B9R0.35 CCNC(=O)C(=O)OCC 11a_100015525214_100014798877 [0,2,0,0,0,0|1,0,1]=4 7898 B9R0.35 CCNC(=O)C(=O)OCC 240690a_100015525214_100014798877 [0,2,0,0,0,0|1,0,1]=4 7899 B9R0.35 CCNC(=O)C(C)COC 11a_100015525214_100000751857 [0,2,0,0,0,0|1,0,0]=3 7900 B9R0.35 CCNC(=O)C(C)COC 240690a_100015525214_100000751857 [0,2,0,0,0,0|1,0,0]=3 7901 B9R0.35 CCNC(=O)C(C)COC 527a_100015525214_100000751857 [0,2,0,0,0,0|1,0,0]=3 7902 B9R0.35 CCNC(=O)C(C)CSC 11a_100015525214_100000753918 [0,2,0,0,0,0|1,0,0]=3 7903 B9R0.35 CCNC(=O)C(C)CSC 240690a_100015525214_100000753918 [0,2,0,0,0,0|1,0,0]=3 7904 B9R0.35 CCNC(=O)C(C)CSC 527a_100015525214_100000753918 [0,2,0,0,0,0|1,0,0]=3 7905 B9R0.35 CCNC(=O)C(C)NCC 2230a_100000736553_100000210202 [0,2,0,0,0,0|1,0,0]=3 7906 B9R0.35 CCNC(=O)C(C)NCC 2230a_100015525214_100000230173 [0,2,0,0,0,0|1,0,0]=3 7907 B9R0.35 CCNC(=O)C(C)NCC 34a_100000736553_100000210202 [0,2,0,0,0,0|1,0,0]=3 7908 B9R0.35 CCNC(=O)C(C)NCF 34a_100000736553_100015361967 [0,2,0,0,0,0|2,0,0]=4 7909 B9R0.35 CCNC(=O)C(C)OCC 11a_100015525214_100000739345 [0,2,0,0,0,0|1,0,0]=3 7910 B9R0.35 CCNC(=O)C(C)OCC 240690a_100015525214_100000739345 [0,2,0,0,0,0|1,0,0]=3 7911 B9R0.35 CCNC(=O)C(C)OCC 34a_100121572206_100000230173 [0,2,0,0,0,0|1,0,0]=3 7912 B9R0.35 CCNC(=O)C(C)OCC 527a_100015525214_100000739345 [0,2,0,0,0,0|1,0,0]=3 7913 B9R0.35 CCNC(=O)C(C)SCC 11a_100015525214_100000230601 [0,2,0,0,0,0|1,0,0]=3 7914 B9R0.35 CCNC(=O)C(C)SCC 240690a_100015525214_100000230601 [0,2,0,0,0,0|1,0,0]=3 7915 B9R0.35 CCNC(=O)C(C)SCC 527a_100015525214_100000230601 [0,2,0,0,0,0|1,0,0]=3 7916 B9R0.35 CCNC(=O)C(C)SCC 62a_100000210202_100000230173 [0,2,0,0,0,0|1,0,0]=3 7917 B9R0.35 CCNC(=O)C(C)SCC 62a_100000230173_100000210202 [0,2,0,0,0,0|1,0,0]=3 7918 B9R0.35 CCNC(=O)C(C)SCF 62a_100000230173_100015361967 [0,2,0,0,0,0|2,0,0]=4 7919 B9R0.35 CCNC(=O)C(C)SCF 62a_100015361967_100000230173 [0,2,0,0,0,0|2,0,0]=4 7920 B9R0.35 CCNC(=O)N(C)CCO 2708a_100015525214_100000210263 [0,2,0,0,0,0|2,0,0]=4 7921 B9R0.35 CCNC(=O)N(C)CCO 273464a_100015525214_100000210263 [0,2,0,0,0,0|2,0,0]=4 7922 B9R0.35 CCNC(C)C(=O)OCC 2230a_100015525214_100011215307 [0,2,0,0,0,0|1,0,0]=3 7923 B9R0.35 CCNC(F)C(=O)OCC 2230a_100015525214_100000760018 [0,2,0,0,0,0|1,0,0]=3 7924 B9R0.35 CCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210202 [0,2,0,0,0,0|1,0,0]=3 7925 B9R0.35 CCOC(=O)C(=O)CSC 62a_100000211299_200000210301 [0,2,0,0,0,0|1,0,1]=4 7926 B9R0.35 CCOC(=O)C(=O)CSC 62a_200000210301_100000211299 [0,2,0,0,0,0|1,0,1]=4 7927 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_100000211299_200025704644 [0,2,0,0,0,0|1,0,1]=4 7928 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_200025704644_100000211299 [0,2,0,0,0,0|1,0,1]=4 7929 B9R0.35 CCOC(=O)C(C)OCC 34a_100121572206_100011216346 [0,2,0,0,0,0|1,0,0]=3 7930 B9R0.35 CCOC(=O)C(C)SCC 62a_100000210202_100011216346 [0,2,0,0,0,0|1,0,0]=3 7931 B9R0.35 CCOC(=O)C(C)SCC 62a_100011216346_100000210202 [0,2,0,0,0,0|1,0,0]=3 7932 B9R0.35 CCOC(=O)C(C)SCF 62a_100011216346_100015361967 [0,2,0,0,0,0|2,0,0]=4 7933 B9R0.35 CCOC(=O)C(C)SCF 62a_100015361967_100011216346 [0,2,0,0,0,0|2,0,0]=4 7934 B9R0.35 CCOC(=O)C(F)OCC 34a_100121572206_100000760018 [0,2,0,0,0,0|1,0,0]=3 7935 B9R0.35 CCOC(=O)C(F)SCC 62a_100000210202_100000760018 [0,2,0,0,0,0|1,0,0]=3 7936 B9R0.35 CCOC(=O)C(F)SCC 62a_100000760018_100000210202 [0,2,0,0,0,0|1,0,0]=3 7937 B9R0.35 CCOC(=O)C(F)SCF 62a_100000760018_100015361967 [0,2,0,0,0,0|2,0,0]=4 7938 B9R0.35 CCOC(=O)C(F)SCF 62a_100015361967_100000760018 [0,2,0,0,0,0|2,0,0]=4 7939 B9R0.35 CCOC(=O)[C@H](C)OCC 7a_100000751109_100000210202 [0,2,0,0,0,0|1,0,0]=3 7940 B9R0.35 CCOC(=O)[C@H](C)OCF 7a_100000751109_100015361967 [0,2,0,0,0,0|2,0,0]=4 7941 B9R0.35 CCOC(C)C(=O)CC#N 1458a_100000739345_100011214920 [0,2,0,0,0,0|1,0,1]=4 7942 B9R0.35 CCOC(C)C(=O)CCF 1458a_100000739345_100011217306 [0,2,0,0,0,0|1,0,0]=3 7943 B9R0.35 CCOC(C)C(=O)CCO 1458a_100000739345_100000211926 [0,2,0,0,0,0|1,0,0]=3 7944 B9R0.35 CCOC(C)C(=O)NNC 22a_100016993582_100000739345 [0,2,0,0,0,0|2,0,0]=4 7945 B9R0.35 CCSC(C)C(=O)CC#N 1458a_100000230601_100011214920 [0,2,0,0,0,0|1,0,1]=4 7946 B9R0.35 CCSC(C)C(=O)CCF 1458a_100000230601_100011217306 [0,2,0,0,0,0|1,0,0]=3 7947 B9R0.35 CCSC(C)C(=O)CCO 1458a_100000230601_100000211926 [0,2,0,0,0,0|1,0,0]=3 7948 B9R0.35 CCSC(C)C(=O)NNC 22a_100016993582_100000230601 [0,2,0,0,0,0|2,0,0]=4 7949 B9R0.35 CN(CCO)C(=O)CCO 240690a_100000210263_100011216618 [0,2,0,0,0,0|2,0,0]=4 7950 B9R0.35 CNNC(=O)C(C)COC 22a_100016993582_100000751857 [0,2,0,0,0,0|2,0,0]=4 7951 B9R0.35 CNNC(=O)C(C)CSC 22a_100016993582_100000753918 [0,2,0,0,0,0|2,0,0]=4 7952 B9R0.35 COCC(=O)C(C)CC#N 1458a_100000210968_100009813641 [0,2,0,0,0,0|1,0,1]=4 7953 B9R0.35 COCC(=O)C(C)CCO 1458a_100000210968_100009893172 [0,2,0,0,0,0|1,0,0]=3 7954 B9R0.35 COCC(=O)C(C)COC 1458a_100000210968_100000765312 [0,2,0,0,0,0|1,0,0]=3 7955 B9R0.35 COCC(=O)N(C)CCO 240690a_100000210263_100000210968 [0,2,0,0,0,0|2,0,0]=4 7956 B9R0.35 COCC(=O)N(C)CCO 527a_100000210263_100000210968 [0,2,0,0,0,0|2,0,0]=4 7957 B9R0.35 COCC(C)C(=O)CC#N 1458a_100000751857_100011214920 [0,2,0,0,0,0|1,0,1]=4 7958 B9R0.35 COCC(C)C(=O)CC#N 1458a_100051588842_100000765312 [0,2,0,0,0,0|1,0,1]=4 7959 B9R0.35 COCC(C)C(=O)CCF 1458a_100000751857_100011217306 [0,2,0,0,0,0|1,0,0]=3 7960 B9R0.35 COCC(C)C(=O)CCO 1458a_100000751857_100000211926 [0,2,0,0,0,0|1,0,0]=3 7961 B9R0.35 COCC(C)C(=O)CCO 1458a_100011216618_100000765312 [0,2,0,0,0,0|1,0,0]=3 7962 B9R0.35 COCC(C)C(=O)CSC 1458a_100000184570_100000765312 [0,2,0,0,0,0|1,0,0]=3 7963 B9R0.35 CSCC(=O)C(C)CC#N 1458a_100000184570_100009813641 [0,2,0,0,0,0|1,0,1]=4 7964 B9R0.35 CSCC(=O)C(C)CCO 1458a_100000184570_100009893172 [0,2,0,0,0,0|1,0,0]=3 7965 B9R0.35 CSCC(=O)N(C)CCO 240690a_100000210263_100000184570 [0,2,0,0,0,0|2,0,0]=4 7966 B9R0.35 CSCC(=O)N(C)CCO 527a_100000210263_100000184570 [0,2,0,0,0,0|2,0,0]=4 7967 B9R0.35 CSCC(C)C(=O)CC#N 1458a_100000753918_100011214920 [0,2,0,0,0,0|1,0,1]=4 7968 B9R0.35 CSCC(C)C(=O)CCF 1458a_100000753918_100011217306 [0,2,0,0,0,0|1,0,0]=3 7969 B9R0.35 CSCC(C)C(=O)CCO 1458a_100000753918_100000211926 [0,2,0,0,0,0|1,0,0]=3 7970 B9R0.40 C#CC(CCCC)OCC 34a_200011217967_100000210202 [0,2,0,0,0,0|1,0,1]=4 7971 B9R0.40 C#CC(CCCC)OCC 7a_200011217967_100000210202 [0,2,0,0,0,0|1,0,1]=4 7972 B9R0.40 C#CCN(CC)CCCC 2230a_100000207695_100000038162 [0,2,0,0,0,0|2,0,0]=4 7973 B9R0.40 C#CCN(CC)CCCC 2230a_100000744766_100000210211 [0,2,0,0,0,0|2,0,0]=4 7974 B9R0.40 C#CCN(CC)CCCC 269982a_100000744766_100000210211 [0,2,0,0,0,0|2,0,0]=4 7975 B9R0.40 C=CC(CCCC)OCC 34a_200011215037_100000210202 [0,2,0,0,0,0|1,0,1]=4 7976 B9R0.40 C=CC(CCCC)OCC 7a_200011215037_100000210202 [0,2,0,0,0,0|1,0,1]=4 7977 B9R0.40 C=CCN(CC)CCCC 2230a_100000207695_100000210623 [0,2,0,0,0,0|2,0,0]=4 7978 B9R0.40 C=CCN(CC)CCCC 269982a_100000207695_100000210623 [0,2,0,0,0,0|2,0,0]=4 7979 B9R0.40 CCC/C=C(\CC)/CNC 269862a_106832991636_100020616858 [0,2,0,0,0,0|1,0,1]=4 7980 B9R0.40 CCC/C=C(\CC)/COC 34a_200015372368_200000210301 [0,2,0,0,0,0|0,0,2]=4 7981 B9R0.40 CCC/C=C(\CC)/COC 7a_200015372368_200000210301 [0,2,0,0,0,0|0,0,2]=4 7982 B9R0.40 CCC/C=C(\CC)/CO[13CH3] 34a_200015372368_200025704644 [0,2,0,0,0,0|0,0,2]=4 7983 B9R0.40 CCC/C=C(\CC)/CO[13CH3] 7a_200015372368_200025704644 [0,2,0,0,0,0|0,0,2]=4 7984 B9R0.40 CCCCC(CC)CNC 2230a_100000209976_200000210301 [0,2,0,0,0,0|1,0,1]=4 7985 B9R0.40 CCCCC(CC)CNC 2230a_106832991635_100000211942 [0,2,0,0,0,0|1,0,1]=4 7986 B9R0.40 CCCCC(CC)CNC 269862a_106832991636_100011219736 [0,2,0,0,0,0|1,0,1]=4 7987 B9R0.40 CCCCC(CC)CNC 270004a_106832991635_100011219736 [0,2,0,0,0,0|1,0,1]=4 7988 B9R0.40 CCCCC(CC)CNC 34a_100102657272_100000211942 [0,2,0,0,0,0|1,0,1]=4 7989 B9R0.40 CCCCC(CC)CNC 7a_106832991635_100000211942 [0,2,0,0,0,0|1,0,1]=4 7990 B9R0.40 CCCCC(CC)CN[13CH3] 2230a_100000209976_200025704644 [0,2,0,0,0,0|1,0,1]=4 7991 B9R0.40 CCCCC(CC)COC 34a_100000210273_200000210301 [0,2,0,0,0,0|0,0,2]=4 7992 B9R0.40 CCCCC(CC)COC 34a_100138415774_100000211942 [0,2,0,0,0,0|0,0,2]=4 7993 B9R0.40 CCCCC(CC)COC 7a_100000210273_200000210301 [0,2,0,0,0,0|0,0,2]=4 7994 B9R0.40 CCCCC(CC)CO[13CH3] 34a_100000210273_200025704644 [0,2,0,0,0,0|0,0,2]=4 7995 B9R0.40 CCCCC(CC)CO[13CH3] 7a_100000210273_200025704644 [0,2,0,0,0,0|0,0,2]=4 7996 B9R0.40 CCCCC(CC)CSC 62a_100000211942_200000210301 [0,2,0,0,0,0|0,1,1]=4 7997 B9R0.40 CCCCC(CC)CSC 62a_200000210301_100000211942 [0,2,0,0,0,0|0,1,1]=4 7998 B9R0.40 CCCCC(CC)CS[13CH3] 62a_100000211942_200025704644 [0,2,0,0,0,0|0,1,1]=4 7999 B9R0.40 CCCCC(CC)CS[13CH3] 62a_200025704644_100000211942 [0,2,0,0,0,0|0,1,1]=4 8000 B9R0.40 CCCCC(CC)NCC 270004a_100015525214_100000753412 [0,2,0,0,0,0|1,0,1]=4 8001 B9R0.40 CCCCC(CC)OCC 34a_100011215227_100000210202 [0,2,0,0,0,0|0,0,2]=4 8002 B9R0.40 CCCCC(CC)OCC 34a_100121572206_200011216223 [0,2,0,0,0,0|0,0,2]=4 8003 B9R0.40 CCCCC(CC)OCC 7a_100011215227_100000210202 [0,2,0,0,0,0|0,0,2]=4 8004 B9R0.40 CCCCC(CC)OCF 34a_100011215227_100015361967 [0,2,0,0,0,0|0,0,2]=4 8005 B9R0.40 CCCCC(CC)OCF 7a_100011215227_100015361967 [0,2,0,0,0,0|0,0,2]=4 8006 B9R0.40 CCCCC(CC)SCC 62a_100000210202_200011216223 [0,2,0,0,0,0|0,1,1]=4 8007 B9R0.40 CCCCC(CC)SCC 62a_200011216223_100000210202 [0,2,0,0,0,0|0,1,1]=4 8008 B9R0.40 CCCCC(CC)SCF 62a_100015361967_200011216223 [0,2,0,0,0,0|0,1,1]=4 8009 B9R0.40 CCCCC(CC)SCF 62a_200011216223_100015361967 [0,2,0,0,0,0|0,1,1]=4 8010 B9R0.40 CCCCC(CCC)NC 34a_100102657272_100000211913 [0,2,0,0,0,0|1,0,1]=4 8011 B9R0.40 CCCCC(CCC)NC 7a_106832991635_100000211913 [0,2,0,0,0,0|1,0,1]=4 8012 B9R0.40 CCCCC(CCC)OC 34a_100011215800_200000210301 [0,2,0,0,0,0|0,0,2]=4 8013 B9R0.40 CCCCC(CCC)OC 34a_100138415774_100000211913 [0,2,0,0,0,0|0,0,2]=4 8014 B9R0.40 CCCCC(CCC)OC 7a_100011215800_200000210301 [0,2,0,0,0,0|0,0,2]=4 8015 B9R0.40 CCCCC(CCC)O[13CH3] 34a_100011215800_200025704644 [0,2,0,0,0,0|0,0,2]=4 8016 B9R0.40 CCCCC(CCC)O[13CH3] 7a_100011215800_200025704644 [0,2,0,0,0,0|0,0,2]=4 8017 B9R0.40 CCCCC(CCC)SC 62a_100000211913_200000210301 [0,2,0,0,0,0|0,1,1]=4 8018 B9R0.40 CCCCC(CCC)SC 62a_200000210301_100000211913 [0,2,0,0,0,0|0,1,1]=4 8019 B9R0.40 CCCCC(CCC)S[13CH3] 62a_100000211913_200025704644 [0,2,0,0,0,0|0,1,1]=4 8020 B9R0.40 CCCCC(CCC)S[13CH3] 62a_200025704644_100000211913 [0,2,0,0,0,0|0,1,1]=4 8021 B9R0.40 CCCCN(CC)CC#N 2230a_100000207695_100011215382 [0,2,0,0,0,0|2,0,0]=4 8022 B9R0.40 CCCCN(CC)CC#N 2230a_200011192266_100000210202 [0,2,0,0,0,0|2,0,0]=4 8023 B9R0.40 CCCCN(CC)CC#N 269982a_100000207695_100011214920 [0,2,0,0,0,0|2,0,0]=4 8024 B9R0.40 CCCCN(CC)CC=O 2230a_100000207695_200015260668 [0,2,0,0,0,0|1,0,0]=3 8025 B9R0.40 CCCCN(CC)CC=O 269982a_100000207695_200015260668 [0,2,0,0,0,0|1,0,0]=3 8026 B9R0.40 CCCCN(CC)CCC 2230a_100000207695_100000210303 [0,2,0,0,0,0|2,0,0]=4 8027 B9R0.40 CCCCN(CC)CCC 2230a_100000226822_100000210211 [0,2,0,0,0,0|2,0,0]=4 8028 B9R0.40 CCCCN(CC)CCC 2230a_200000207744_100000210202 [0,2,0,0,0,0|2,0,0]=4 8029 B9R0.40 CCCCN(CC)CCC 269982a_100000207695_100000210303 [0,2,0,0,0,0|2,0,0]=4 8030 B9R0.40 CCCCN(CC)CCC 269982a_100000226822_100000210211 [0,2,0,0,0,0|2,0,0]=4 8031 B9R0.40 CCCCN(CC)CCC 269982a_200000207744_100000204670 [0,2,0,0,0,0|2,0,0]=4 8032 B9R0.40 CCCCN(CC)CCF 2230a_100000207695_100011217306 [0,2,0,0,0,0|2,0,0]=4 8033 B9R0.40 CCCCN(CC)CCF 269982a_100000207695_100011217306 [0,2,0,0,0,0|2,0,0]=4 8034 B9R0.40 CCCCN(CC)CCO 2230a_100000198060_100000210202 [0,2,0,0,0,0|1,0,1]=4 8035 B9R0.40 CCCCN(CC)CCO 2230a_100000207695_100000211926 [0,2,0,0,0,0|1,0,1]=4 8036 B9R0.40 CCCCN(CC)CCO 2230a_100000210973_100000210211 [0,2,0,0,0,0|1,0,1]=4 8037 B9R0.40 CCCCN(CC)CCO 269982a_100000198060_100000204670 [0,2,0,0,0,0|1,0,1]=4 8038 B9R0.40 CCCCN(CC)CCO 269982a_100000207695_100000211926 [0,2,0,0,0,0|1,0,1]=4 8039 B9R0.40 CCCCN(CC)CCO 269982a_100000210973_100000210211 [0,2,0,0,0,0|1,0,1]=4 8040 B9R0.40 CCCCN(CC)COC 2230a_100000207695_100000766300 [0,2,0,0,0,0|1,0,1]=4 8041 B9R0.40 CCCCN(CC)COC 269982a_100000207695_100000766300 [0,2,0,0,0,0|1,0,1]=4 8042 B9R0.40 CCCCN(CC)CSC 2230a_100000207695_100011218213 [0,2,0,0,0,0|1,1,0]=4 8043 B9R0.40 CCCCN(CC)CSC 269982a_100000207695_100011218213 [0,2,0,0,0,0|1,1,0]=4 8044 B9R0.40 CCCCN(CF)CCC 269982a_200000207744_100015361967 [0,2,0,0,0,0|2,0,0]=4 8045 B9R0.40 CCCCN(CF)CCO 269982a_100000198060_100015361967 [0,2,0,0,0,0|2,0,0]=4 8046 B9R0.40 CCCC[C@@H](CO)NCC 2230a_100011934283_100000210202 [0,2,0,0,0,0|0,0,2]=4 8047 B9R0.40 CCCC[C@@H](CO)NCC 34a_100011934283_100000210202 [0,2,0,0,0,0|0,0,2]=4 8048 B9R0.40 CCN(CC=O)CCOC 2230a_100000731262_200015260668 [0,2,0,0,0,0|2,0,0]=4 8049 B9R0.40 CCN(CC=O)CCOC 269982a_100000731262_200015260668 [0,2,0,0,0,0|2,0,0]=4 8050 B9R0.48 C#CCC(=O)CCC(=C)C 1458a_100011220946_100000730704 [0,2,0,0,0,0|0,0,2]=4 8051 B9R0.48 C#CCC(=O)CCC(=C)C 1458a_200000688413_100000184674 [0,2,0,0,0,0|0,0,2]=4 8052 B9R0.48 C#CCC(=O)CCC(C)C 1458a_100000181311_100000184674 [0,2,0,0,0,0|0,0,1]=3 8053 B9R0.48 C#CCC(=O)CCC(C)C 1458a_100011220946_100000210312 [0,2,0,0,0,0|0,0,1]=3 8054 B9R0.48 C#CCC(=O)CCC(C)O 1458a_100011220946_100012276601 [0,2,0,0,0,0|0,0,1]=3 8055 B9R0.48 C#CCC(=O)CC[S+](C)C 1458a_100009452791_100000184674 [0,2,0,0,0,0|1,0,1]=4 8056 B9R0.48 C#CCC(=O)COC(C)C 1458a_100000745533_100000184674 [0,2,0,0,0,0|1,0,1]=4 8057 B9R0.48 C#CCC(=O)CSC(C)C 1458a_100000241585_100000184674 [0,2,0,0,0,0|1,0,1]=4 8058 B9R0.48 C#CCC(=O)NCC(C)C 1626a_100000210953_100011220946 [0,2,0,0,0,0|1,0,1]=4 8059 B9R0.48 C#CCC(=O)NCC(C)C 527a_100000210953_100011220946 [0,2,0,0,0,0|1,0,1]=4 8060 B9R0.48 C#CCC(=O)NCC(C)O 527a_100000210904_100011220946 [0,2,0,0,0,0|1,0,1]=4 8061 B9R0.48 C=C(C)CCC(=O)C#CC 1458a_100000763181_100000730704 [0,2,0,0,0,0|0,0,2]=4 8062 B9R0.48 C=C(C)CCC(=O)C=CC 1458a_100000210699_100000730704 [0,2,0,0,0,0|0,0,2]=4 8063 B9R0.48 C=C(C)CCC(=O)CC#N 1458a_100051588842_100000730704 [0,2,0,0,0,0|0,0,2]=4 8064 B9R0.48 C=C(C)CCC(=O)CC#N 1458a_200000688413_100011214920 [0,2,0,0,0,0|0,0,2]=4 8065 B9R0.48 C=C(C)CCC(=O)CCC 1458a_100000211992_100000730704 [0,2,0,0,0,0|0,0,1]=3 8066 B9R0.48 C=C(C)CCC(=O)CCC 1458a_200000688413_100000210303 [0,2,0,0,0,0|0,0,1]=3 8067 B9R0.48 C=C(C)CCC(=O)CCF 1458a_200000688413_100011217306 [0,2,0,0,0,0|0,0,1]=3 8068 B9R0.48 C=C(C)CCC(=O)CCO 1458a_100011216618_100000730704 [0,2,0,0,0,0|0,0,1]=3 8069 B9R0.48 C=C(C)CCC(=O)CCO 1458a_200000688413_100000211926 [0,2,0,0,0,0|0,0,1]=3 8070 B9R0.48 C=C(C)CCC(=O)COC 1458a_100000210968_100000730704 [0,2,0,0,0,0|0,0,1]=3 8071 B9R0.48 C=C(C)CCC(=O)CSC 1458a_100000184570_100000730704 [0,2,0,0,0,0|0,0,1]=3 8072 B9R0.48 C=C(C)CCC(=O)NCC 11a_100015525214_200000688413 [0,2,0,0,0,0|0,0,1]=3 8073 B9R0.48 C=C(C)CCC(=O)NCC 240690a_100015525214_200000688413 [0,2,0,0,0,0|0,0,1]=3 8074 B9R0.48 C=C(C)CCC(=O)NCC 527a_100015525214_200000688413 [0,2,0,0,0,0|0,0,1]=3 8075 B9R0.48 C=C(C)CCC(=O)NNC 22a_100016993582_200000688413 [0,2,0,0,0,0|1,0,1]=4 8076 B9R0.48 C=C(C)CNC(=O)CCC 11a_100000765925_100000211992 [0,2,0,0,0,0|1,0,1]=4 8077 B9R0.48 C=C(C)CNC(=O)CCC 1626a_100000765925_100000211992 [0,2,0,0,0,0|1,0,1]=4 8078 B9R0.48 C=C(C)CNC(=O)CCC 240690a_100000765925_100000211992 [0,2,0,0,0,0|1,0,1]=4 8079 B9R0.48 C=C(C)CNC(=O)CCC 527a_100000765925_100000211992 [0,2,0,0,0,0|1,0,1]=4 8080 B9R0.48 C=C(C)CNC(=O)CCO 240690a_100000765925_100011216618 [0,2,0,0,0,0|1,0,1]=4 8081 B9R0.48 C=C(C)CNC(=O)COC 11a_100000765925_100000210968 [0,2,0,0,0,0|1,0,1]=4 8082 B9R0.48 C=C(C)CNC(=O)COC 1626a_100000765925_100000210968 [0,2,0,0,0,0|1,0,1]=4 8083 B9R0.48 C=C(C)CNC(=O)COC 240690a_100000765925_100000210968 [0,2,0,0,0,0|1,0,1]=4 8084 B9R0.48 C=C(C)CNC(=O)COC 527a_100000765925_100000210968 [0,2,0,0,0,0|1,0,1]=4 8085 B9R0.48 C=C(C)CNC(=O)CSC 11a_100000765925_100000184570 [0,2,0,0,0,0|1,0,1]=4 8086 B9R0.48 C=C(C)CNC(=O)CSC 1626a_100000765925_100000184570 [0,2,0,0,0,0|1,0,1]=4 8087 B9R0.48 C=C(C)CNC(=O)CSC 240690a_100000765925_100000184570 [0,2,0,0,0,0|1,0,1]=4 8088 B9R0.48 C=C(C)CNC(=O)CSC 527a_100000765925_100000184570 [0,2,0,0,0,0|1,0,1]=4 8089 B9R0.48 C=C(C)CNC(=O)NCC 2708a_100000765925_100015525214 [0,2,0,0,0,0|1,0,1]=4 8090 B9R0.48 C=C(C)CNC(=O)NCC 2708a_100015525214_100000765925 [0,2,0,0,0,0|1,0,1]=4 8091 B9R0.48 C=C(C)CNC(=O)NCC 273464a_100000765925_100015525214 [0,2,0,0,0,0|1,0,1]=4 8092 B9R0.48 C=C(C)CNC(=O)NCC 273464a_100015525214_100000765925 [0,2,0,0,0,0|1,0,1]=4 8093 B9R0.48 C=C(C)CNC(=O)NCC 512a_100000765925_100015525214 [0,2,0,0,0,0|1,0,1]=4 8094 B9R0.48 C=C(C)CNC(=O)NCC 512a_100015525214_100000765925 [0,2,0,0,0,0|1,0,1]=4 8095 B9R0.48 C=CCC(=O)CCC(=C)C 1458a_100000210193_100000730704 [0,2,0,0,0,0|0,0,2]=4 8096 B9R0.48 C=CCC(=O)CCC(=C)C 1458a_200000688413_100000210623 [0,2,0,0,0,0|0,0,2]=4 8097 B9R0.48 C=CCC(=O)CCC(C)C 1458a_100000181311_100000210623 [0,2,0,0,0,0|0,0,1]=3 8098 B9R0.48 C=CCC(=O)CCC(C)C 1458a_100000210193_100000210312 [0,2,0,0,0,0|0,0,1]=3 8099 B9R0.48 C=CCC(=O)CCC(C)O 1458a_100000210193_100012276601 [0,2,0,0,0,0|0,0,1]=3 8100 B9R0.48 C=CCC(=O)CC[S+](C)C 1458a_100009452791_100000210623 [0,2,0,0,0,0|1,0,1]=4 8101 B9R0.48 C=CCC(=O)COC(C)C 1458a_100000745533_100000210623 [0,2,0,0,0,0|1,0,1]=4 8102 B9R0.48 C=CCC(=O)CSC(C)C 1458a_100000241585_100000210623 [0,2,0,0,0,0|1,0,1]=4 8103 B9R0.48 C=CCC(=O)NCC(C)C 11a_100000210953_100000210193 [0,2,0,0,0,0|1,0,1]=4 8104 B9R0.48 C=CCC(=O)NCC(C)C 1626a_100000210953_100000210193 [0,2,0,0,0,0|1,0,1]=4 8105 B9R0.48 C=CCC(=O)NCC(C)C 240690a_100000210953_100000210193 [0,2,0,0,0,0|1,0,1]=4 8106 B9R0.48 C=CCC(=O)NCC(C)C 527a_100000210953_100000210193 [0,2,0,0,0,0|1,0,1]=4 8107 B9R0.48 C=CCC(=O)NCC(C)O 11a_100000210904_100000210193 [0,2,0,0,0,0|1,0,1]=4 8108 B9R0.48 C=CCC(=O)NCC(C)O 240690a_100000210904_100000210193 [0,2,0,0,0,0|1,0,1]=4 8109 B9R0.48 C=CCC(=O)NCC(C)O 527a_100000210904_100000210193 [0,2,0,0,0,0|1,0,1]=4 8110 B9R0.48 CC#CC(=O)CCC(C)C 1458a_100000763181_100000210312 [0,2,0,0,0,0|0,0,1]=3 8111 B9R0.48 CC#CC(=O)CCC(C)O 1458a_100000763181_100012276601 [0,2,0,0,0,0|0,0,1]=3 8112 B9R0.48 CC(=CCC(=O)CCF)C 1458a_100011220947_100011217306 [0,2,0,0,0,0|0,0,2]=4 8113 B9R0.48 CC(=CCC(=O)CCO)C 1458a_100011216618_100000761012 [0,2,0,0,0,0|0,0,2]=4 8114 B9R0.48 CC(=CCC(=O)CCO)C 1458a_100011220947_100000211926 [0,2,0,0,0,0|0,0,2]=4 8115 B9R0.48 CC(=O)NCC(=O)CCF 1458a_100000194580_100011217306 [0,2,0,0,0,0|1,0,1]=4 8116 B9R0.48 CC(=O)NCC(=O)CCO 1458a_100000194580_100000211926 [0,2,0,0,0,0|1,0,1]=4 8117 B9R0.48 CC(=O)OCC(=O)CCF 1458a_100000183556_100011217306 [0,2,0,0,0,0|1,0,1]=4 8118 B9R0.48 CC(=O)OCC(=O)CCO 1458a_100000183556_100000211926 [0,2,0,0,0,0|1,0,1]=4 8119 B9R0.48 CC(=O)OCC(=O)CS[13CH3] 62a_100000036994_200025704644 [0,2,0,0,0,0|1,0,1]=4 8120 B9R0.48 CC(=O)OCC(=O)CS[13CH3] 62a_200025704644_100000036994 [0,2,0,0,0,0|1,0,1]=4 8121 B9R0.48 CC(=O)SCC(=O)CCF 1458a_100000049016_100011217306 [0,2,0,0,0,0|1,0,1]=4 8122 B9R0.48 CC(=O)SCC(=O)CCO 1458a_100000049016_100000211926 [0,2,0,0,0,0|1,0,1]=4 8123 B9R0.48 CC(C)C=CC(=O)CCF 1458a_100016268746_100011217306 [0,2,0,0,0,0|0,0,2]=4 8124 B9R0.48 CC(C)C=CC(=O)CCO 1458a_100016268746_100000211926 [0,2,0,0,0,0|0,0,2]=4 8125 B9R0.48 CC(C)CCC(=O)C=CBr 1458a_100016273825_100000210312 [0,2,0,0,0,0|0,0,2]=4 8126 B9R0.48 CC(C)CCC(=O)C=CCl 1458a_200016279998_100000210312 [0,2,0,0,0,0|0,0,2]=4 8127 B9R0.48 CC(C)CCC(=O)C=CI 1458a_100016256311_100000210312 [0,2,0,0,0,0|0,0,2]=4 8128 B9R0.48 CC(C)CCC(=O)CC#N 1458a_100000181311_100011214920 [0,2,0,0,0,0|0,0,1]=3 8129 B9R0.48 CC(C)CCC(=O)CC#N 1458a_100051588842_100000210312 [0,2,0,0,0,0|0,0,1]=3 8130 B9R0.48 CC(C)CCC(=O)CCF 1458a_100000181311_100011217306 [0,2,0,0,0,0|0,0,0]=2 8131 B9R0.48 CC(C)CCC(=O)CCO 1458a_100000181311_100000211926 [0,2,0,0,0,0|0,0,0]=2 8132 B9R0.48 CC(C)CCC(=O)CCO 1458a_100011216618_100000210312 [0,2,0,0,0,0|0,0,0]=2 8133 B9R0.48 CC(C)CCN(C)CCF 2230a_100000742789_100011217306 [0,2,0,0,0,0|2,0,0]=4 8134 B9R0.48 CC(C)CCN(C)CCF 269982a_100000742789_100011217306 [0,2,0,0,0,0|2,0,0]=4 8135 B9R0.48 CC(C)CCN(C)CCO 2230a_100000210263_100000210312 [0,2,0,0,0,0|2,0,0]=4 8136 B9R0.48 CC(C)CCN(C)CCO 2230a_100000742789_100000211926 [0,2,0,0,0,0|2,0,0]=4 8137 B9R0.48 CC(C)CCN(C)CCO 269982a_100000210263_100000210312 [0,2,0,0,0,0|2,0,0]=4 8138 B9R0.48 CC(C)CCN(C)CCO 269982a_100000742789_100000211926 [0,2,0,0,0,0|2,0,0]=4 8139 B9R0.48 CC(C)CNC(=O)CC#N 1626a_100000210953_100051588842 [0,2,0,0,0,0|1,0,1]=4 8140 B9R0.48 CC(C)CNC(=O)CC#N 240690a_100000210953_100051588842 [0,2,0,0,0,0|1,0,1]=4 8141 B9R0.48 CC(C)CNC(=O)CCO 240690a_100000210953_100011216618 [0,2,0,0,0,0|1,0,0]=3 8142 B9R0.48 CC(C)CNC(=O)CS[13CH3] 62a_100000183291_200025704644 [0,2,0,0,0,0|1,0,0]=3 8143 B9R0.48 CC(C)CNC(=O)CS[13CH3] 62a_200025704644_100000183291 [0,2,0,0,0,0|1,0,0]=3 8144 B9R0.48 CC(C)NCC(=O)NCO 2230a_100138425928_100000185155 [0,2,0,0,0,0|2,0,0]=4 8145 B9R0.48 CC(C)NCC(=O)NCO 34a_100138425928_100000185155 [0,2,0,0,0,0|2,0,0]=4 8146 B9R0.48 CC(C)NNC(=O)CCO 22a_100000741168_100011216618 [0,2,0,0,0,0|2,0,0]=4 8147 B9R0.48 CC(C)OCC(=O)CC#N 1458a_100000745533_100011214920 [0,2,0,0,0,0|1,0,1]=4 8148 B9R0.48 CC(C)OCC(=O)CCF 1458a_100000745533_100011217306 [0,2,0,0,0,0|1,0,0]=3 8149 B9R0.48 CC(C)OCC(=O)CCO 1458a_100000745533_100000211926 [0,2,0,0,0,0|1,0,0]=3 8150 B9R0.48 CC(C)OCC(=O)NCO 34a_100000212225_100000185155 [0,2,0,0,0,0|2,0,0]=4 8151 B9R0.48 CC(C)SCC(=O)CC#N 1458a_100000241585_100011214920 [0,2,0,0,0,0|1,0,1]=4 8152 B9R0.48 CC(C)SCC(=O)CCF 1458a_100000241585_100011217306 [0,2,0,0,0,0|1,0,0]=3 8153 B9R0.48 CC(C)SCC(=O)CCO 1458a_100000241585_100000211926 [0,2,0,0,0,0|1,0,0]=3 8154 B9R0.48 CC(C)SCC(=O)NCO 62a_100000185155_100000210206 [0,2,0,0,0,0|2,0,0]=4 8155 B9R0.48 CC(C)SCC(=O)NCO 62a_100000210206_100000185155 [0,2,0,0,0,0|2,0,0]=4 8156 B9R0.48 CC(O)CCC(=O)C=CBr 1458a_100016273825_100012276601 [0,2,0,0,0,0|0,0,2]=4 8157 B9R0.48 CC(O)CCC(=O)C=CCl 1458a_200016279998_100012276601 [0,2,0,0,0,0|0,0,2]=4 8158 B9R0.48 CC(O)CCC(=O)C=CI 1458a_100016256311_100012276601 [0,2,0,0,0,0|0,0,2]=4 8159 B9R0.48 CC(O)CCC(=O)CC#N 1458a_100051588842_100012276601 [0,2,0,0,0,0|0,0,1]=3 8160 B9R0.48 CC(O)CCC(=O)CCO 1458a_100011216618_100012276601 [0,2,0,0,0,0|0,0,0]=2 8161 B9R0.48 CC(O)CCN(C)CCO 2230a_100000210263_100012276601 [0,2,0,0,0,0|2,0,0]=4 8162 B9R0.48 CC(O)CCN(C)CCO 269982a_100000210263_100012276601 [0,2,0,0,0,0|2,0,0]=4 8163 B9R0.48 CC(O)CNC(=O)CC#N 240690a_100000210904_100051588842 [0,2,0,0,0,0|1,0,1]=4 8164 B9R0.48 CC(O)CNC(=O)CCO 240690a_100000210904_100011216618 [0,2,0,0,0,0|1,0,0]=3 8165 B9R0.48 CC=CC(=O)CCC(C)C 1458a_100000210699_100000210312 [0,2,0,0,0,0|0,0,1]=3 8166 B9R0.48 CC=CC(=O)CCC(C)O 1458a_100000210699_100012276601 [0,2,0,0,0,0|0,0,1]=3 8167 B9R0.48 CC=CC(=O)NCC(C)C 11a_100000210953_100000210699 [0,2,0,0,0,0|1,0,1]=4 8168 B9R0.48 CC=CC(=O)NCC(C)C 1626a_100000210953_100000210699 [0,2,0,0,0,0|1,0,1]=4 8169 B9R0.48 CC=CC(=O)NCC(C)C 240690a_100000210953_100000210699 [0,2,0,0,0,0|1,0,1]=4 8170 B9R0.48 CC=CC(=O)NCC(C)O 11a_100000210904_100000210699 [0,2,0,0,0,0|1,0,1]=4 8171 B9R0.48 CC=CC(=O)NCC(C)O 240690a_100000210904_100000210699 [0,2,0,0,0,0|1,0,1]=4 8172 B9R0.48 CCCC(=O)C=CC(C)C 1458a_100016268746_100000210303 [0,2,0,0,0,0|0,0,2]=4 8173 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100000211992_100000761012 [0,2,0,0,0,0|0,0,2]=4 8174 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100011220947_100000210303 [0,2,0,0,0,0|0,0,2]=4 8175 B9R0.48 CCCC(=O)CCC(=O)N 1458a_100011215257_100000210303 [0,2,0,0,0,0|1,0,1]=4 8176 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000181311_100000210303 [0,2,0,0,0,0|0,0,0]=2 8177 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000211992_100000210312 [0,2,0,0,0,0|0,0,0]=2 8178 B9R0.48 CCCC(=O)CCC(C)O 1458a_100000211992_100012276601 [0,2,0,0,0,0|0,0,0]=2 8179 B9R0.48 CCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210303 [0,2,0,0,0,0|2,0,0]=4 8180 B9R0.48 CCCC(=O)CC[S+](C)C 1458a_100009452791_100000210303 [0,2,0,0,0,0|1,0,0]=3 8181 B9R0.48 CCCC(=O)CNC(=O)C 1458a_100000194580_100000210303 [0,2,0,0,0,0|1,0,1]=4 8182 B9R0.48 CCCC(=O)CNC(C)C 2230a_100138425928_100000747444 [0,2,0,0,0,0|1,0,0]=3 8183 B9R0.48 CCCC(=O)COC(=O)C 1458a_100000183556_100000210303 [0,2,0,0,0,0|1,0,1]=4 8184 B9R0.48 CCCC(=O)COC(C)C 1458a_100000745533_100000210303 [0,2,0,0,0,0|1,0,0]=3 8185 B9R0.48 CCCC(=O)COC(F)F 1458a_200000719455_100000210303 [0,2,0,0,0,0|2,0,0]=4 8186 B9R0.48 CCCC(=O)CSC(=O)C 1458a_100000049016_100000210303 [0,2,0,0,0,0|1,0,1]=4 8187 B9R0.48 CCCC(=O)CSC(C)C 1458a_100000241585_100000210303 [0,2,0,0,0,0|1,0,0]=3 8188 B9R0.48 CCCC(=O)CSC(C)C 62a_100000210206_100000747444 [0,2,0,0,0,0|1,0,0]=3 8189 B9R0.48 CCCC(=O)CSC(C)C 62a_100000747444_100000210206 [0,2,0,0,0,0|1,0,0]=3 8190 B9R0.48 CCCC(=O)CSC(F)F 1458a_114828291038_100000210303 [0,2,0,0,0,0|2,0,0]=4 8191 B9R0.48 CCCC(=O)NCC(C)C 11a_100000210953_100000211992 [0,2,0,0,0,0|1,0,0]=3 8192 B9R0.48 CCCC(=O)NCC(C)C 1626a_100000210953_100000211992 [0,2,0,0,0,0|1,0,0]=3 8193 B9R0.48 CCCC(=O)NCC(C)C 240690a_100000210953_100000211992 [0,2,0,0,0,0|1,0,0]=3 8194 B9R0.48 CCCC(=O)NCC(C)C 527a_100000210953_100000211992 [0,2,0,0,0,0|1,0,0]=3 8195 B9R0.48 CCCC(=O)NCC(C)O 11a_100000210904_100000211992 [0,2,0,0,0,0|1,0,0]=3 8196 B9R0.48 CCCC(=O)NCC(C)O 240690a_100000210904_100000211992 [0,2,0,0,0,0|1,0,0]=3 8197 B9R0.48 CCCC(=O)NCC(C)O 527a_100000210904_100000211992 [0,2,0,0,0,0|1,0,0]=3 8198 B9R0.48 CCCC(=O)NCC(F)F 11a_100000765723_100000211992 [0,2,0,0,0,0|2,0,0]=4 8199 B9R0.48 CCCC(=O)NCC(F)F 1626a_100000765723_100000211992 [0,2,0,0,0,0|2,0,0]=4 8200 B9R0.48 CCCC(=O)NCC(F)F 240690a_100000765723_100000211992 [0,2,0,0,0,0|2,0,0]=4 8201 B9R0.48 CCCC(=O)NCC(F)F 527a_100000765723_100000211992 [0,2,0,0,0,0|2,0,0]=4 8202 B9R0.48 CCCC(=O)NNC(C)C 22a_100000741168_100000211992 [0,2,0,0,0,0|2,0,0]=4 8203 B9R0.48 CCCC(=O)OCC(=O)C 1458a_100000070787_100000034017 [0,2,0,0,0,0|1,0,1]=4 8204 B9R0.48 CCCC(=O)OCN(C)C 2230a_100102631434_100000034017 [0,2,0,0,0,0|2,0,0]=4 8205 B9R0.48 CCCC(=O)OCN(C)C 269982a_100102631434_100000034017 [0,2,0,0,0,0|2,0,0]=4 8206 B9R0.48 CCCN(C)CCC(C)C 2230a_100000742789_100000210303 [0,2,0,0,0,0|2,0,0]=4 8207 B9R0.48 CCCN(C)CCC(C)C 2230a_100000747261_100000210312 [0,2,0,0,0,0|2,0,0]=4 8208 B9R0.48 CCCN(C)CCC(C)C 269982a_100000742789_100000210303 [0,2,0,0,0,0|2,0,0]=4 8209 B9R0.48 CCCN(C)CCC(C)C 269982a_100000747261_100000210312 [0,2,0,0,0,0|2,0,0]=4 8210 B9R0.48 CCCN(C)CCC(C)O 2230a_100000747261_100012276601 [0,2,0,0,0,0|2,0,0]=4 8211 B9R0.48 CCCN(C)CCC(C)O 269982a_100000747261_100012276601 [0,2,0,0,0,0|2,0,0]=4 8212 B9R0.48 CCNC(=O)C=CC(C)C 11a_100015525214_100016268746 [0,2,0,0,0,0|0,0,2]=4 8213 B9R0.48 CCNC(=O)C=CC(C)C 240690a_100015525214_100016268746 [0,2,0,0,0,0|0,0,2]=4 8214 B9R0.48 CCNC(=O)CC=C(C)C 11a_100015525214_100011220947 [0,2,0,0,0,0|0,0,2]=4 8215 B9R0.48 CCNC(=O)CC=C(C)C 240690a_100015525214_100011220947 [0,2,0,0,0,0|0,0,2]=4 8216 B9R0.48 CCNC(=O)CC=C(C)C 527a_100015525214_100011220947 [0,2,0,0,0,0|0,0,2]=4 8217 B9R0.48 CCNC(=O)CCC(=O)C 1458a_100000199579_200000210301 [0,2,0,0,0,0|0,0,1]=3 8218 B9R0.48 CCNC(=O)CCC(=O)N 240690a_100015525214_100011215257 [0,2,0,0,0,0|1,0,1]=4 8219 B9R0.48 CCNC(=O)CCC(=O)N 527a_100015525214_100011215257 [0,2,0,0,0,0|1,0,1]=4 8220 B9R0.48 CCNC(=O)CCC(=O)[13CH3] 1458a_100000199579_200025704644 [0,2,0,0,0,0|0,0,1]=3 8221 B9R0.48 CCNC(=O)CCC(C)C 11a_100015525214_100000181311 [0,2,0,0,0,0|0,0,0]=2 8222 B9R0.48 CCNC(=O)CCC(C)C 240690a_100015525214_100000181311 [0,2,0,0,0,0|0,0,0]=2 8223 B9R0.48 CCNC(=O)CCC(C)C 527a_100015525214_100000181311 [0,2,0,0,0,0|0,0,0]=2 8224 B9R0.48 CCNC(=O)CCN(C)C 11a_100015525214_100000689311 [0,2,0,0,0,0|1,0,0]=3 8225 B9R0.48 CCNC(=O)CCN(C)C 2230a_100102631434_100000737597 [0,2,0,0,0,0|1,0,0]=3 8226 B9R0.48 CCNC(=O)CCN(C)C 240690a_100015525214_100000689311 [0,2,0,0,0,0|1,0,0]=3 8227 B9R0.48 CCNC(=O)CCN(C)C 269982a_100102631434_100000737597 [0,2,0,0,0,0|1,0,0]=3 8228 B9R0.48 CCNC(=O)CCN(C)C 527a_100015525214_100000689311 [0,2,0,0,0,0|1,0,0]=3 8229 B9R0.48 CCNC(=O)CC[N+](=O)[O-] 11a_100015525214_200000064761 [0,2,0,0,0,0|2,0,0]=4 8230 B9R0.48 CCNC(=O)CC[N+](=O)[O-] 240690a_100015525214_200000064761 [0,2,0,0,0,0|2,0,0]=4 8231 B9R0.48 CCNC(=O)CC[S+](C)C 11a_100015525214_100009452791 [0,2,0,0,0,0|1,0,0]=3 8232 B9R0.48 CCNC(=O)CC[S+](C)C 240690a_100015525214_100009452791 [0,2,0,0,0,0|1,0,0]=3 8233 B9R0.48 CCNC(=O)CNC(=O)C 11a_100015525214_100000194580 [0,2,0,0,0,0|1,0,1]=4 8234 B9R0.48 CCNC(=O)CNC(=O)C 11a_100016988866_100015343762 [0,2,0,0,0,0|1,0,1]=4 8235 B9R0.48 CCNC(=O)CNC(=O)C 1626a_100016988866_100015343762 [0,2,0,0,0,0|1,0,1]=4 8236 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100015525214_100000194580 [0,2,0,0,0,0|1,0,1]=4 8237 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100016988866_100015343762 [0,2,0,0,0,0|1,0,1]=4 8238 B9R0.48 CCNC(=O)CNC(=O)C 527a_100015525214_100000194580 [0,2,0,0,0,0|1,0,1]=4 8239 B9R0.48 CCNC(=O)CNC(=O)C 527a_100016988866_100103153847 [0,2,0,0,0,0|1,0,1]=4 8240 B9R0.48 CCNC(=O)CNC(C)C 2230a_100016988866_100000210206 [0,2,0,0,0,0|1,0,0]=3 8241 B9R0.48 CCNC(=O)CNC(C)C 2230a_100138425928_100000183381 [0,2,0,0,0,0|1,0,0]=3 8242 B9R0.48 CCNC(=O)CNC(C)C 34a_100138425928_100000183381 [0,2,0,0,0,0|1,0,0]=3 8243 B9R0.48 CCNC(=O)COC(=O)C 240690a_100015525214_100000183556 [0,2,0,0,0,0|1,0,1]=4 8244 B9R0.48 CCNC(=O)COC(=O)C 527a_100015525214_100000183556 [0,2,0,0,0,0|1,0,1]=4 8245 B9R0.48 CCNC(=O)COC(C)C 11a_100015525214_100000745533 [0,2,0,0,0,0|1,0,0]=3 8246 B9R0.48 CCNC(=O)COC(C)C 240690a_100015525214_100000745533 [0,2,0,0,0,0|1,0,0]=3 8247 B9R0.48 CCNC(=O)COC(C)C 34a_100000212225_100000183381 [0,2,0,0,0,0|1,0,0]=3 8248 B9R0.48 CCNC(=O)COC(C)C 527a_100015525214_100000745533 [0,2,0,0,0,0|1,0,0]=3 8249 B9R0.48 CCNC(=O)COC(F)F 11a_100015525214_200000719455 [0,2,0,0,0,0|2,0,0]=4 8250 B9R0.48 CCNC(=O)COC(F)F 240690a_100015525214_200000719455 [0,2,0,0,0,0|2,0,0]=4 8251 B9R0.48 CCNC(=O)COC(F)F 527a_100015525214_200000719455 [0,2,0,0,0,0|2,0,0]=4 8252 B9R0.48 CCNC(=O)CSC(=O)C 11a_100015525214_100000049016 [0,2,0,0,0,0|1,0,1]=4 8253 B9R0.48 CCNC(=O)CSC(=O)C 240690a_100015525214_100000049016 [0,2,0,0,0,0|1,0,1]=4 8254 B9R0.48 CCNC(=O)CSC(C)C 11a_100015525214_100000241585 [0,2,0,0,0,0|1,0,0]=3 8255 B9R0.48 CCNC(=O)CSC(C)C 240690a_100015525214_100000241585 [0,2,0,0,0,0|1,0,0]=3 8256 B9R0.48 CCNC(=O)CSC(C)C 527a_100015525214_100000241585 [0,2,0,0,0,0|1,0,0]=3 8257 B9R0.48 CCNC(=O)CSC(C)C 62a_100000183381_100000210206 [0,2,0,0,0,0|1,0,0]=3 8258 B9R0.48 CCNC(=O)CSC(C)C 62a_100000210206_100000183381 [0,2,0,0,0,0|1,0,0]=3 8259 B9R0.48 CCNC(=O)CSC(F)F 11a_100015525214_114828291038 [0,2,0,0,0,0|2,0,0]=4 8260 B9R0.48 CCNC(=O)CSC(F)F 240690a_100015525214_114828291038 [0,2,0,0,0,0|2,0,0]=4 8261 B9R0.48 CCNC(=O)CSC(F)F 527a_100015525214_114828291038 [0,2,0,0,0,0|2,0,0]=4 8262 B9R0.48 CCNC(=O)NCC(C)C 2708a_100000210953_100015525214 [0,2,0,0,0,0|1,0,0]=3 8263 B9R0.48 CCNC(=O)NCC(C)C 2708a_100015525214_100000210953 [0,2,0,0,0,0|1,0,0]=3 8264 B9R0.48 CCNC(=O)NCC(C)C 273464a_100000210953_100015525214 [0,2,0,0,0,0|1,0,0]=3 8265 B9R0.48 CCNC(=O)NCC(C)C 273464a_100015525214_100000210953 [0,2,0,0,0,0|1,0,0]=3 8266 B9R0.48 CCNC(=O)NCC(C)C 512a_100000210953_100015525214 [0,2,0,0,0,0|1,0,0]=3 8267 B9R0.48 CCNC(=O)NCC(C)C 512a_100015525214_100000210953 [0,2,0,0,0,0|1,0,0]=3 8268 B9R0.48 CCNC(=O)NCC(C)O 2708a_100015525214_100000210904 [0,2,0,0,0,0|1,0,0]=3 8269 B9R0.48 CCNC(=O)NCC(C)O 273464a_100000210904_100015525214 [0,2,0,0,0,0|1,0,0]=3 8270 B9R0.48 CCNC(=O)NCC(C)O 273464a_100015525214_100000210904 [0,2,0,0,0,0|1,0,0]=3 8271 B9R0.48 CCNC(=O)NCC(C)O 512a_100000210904_100015525214 [0,2,0,0,0,0|1,0,0]=3 8272 B9R0.48 CCNC(=O)NCC(C)O 512a_100015525214_100000210904 [0,2,0,0,0,0|1,0,0]=3 8273 B9R0.48 CCNC(=O)NCC(F)F 2708a_100015525214_100000765723 [0,2,0,0,0,0|2,0,0]=4 8274 B9R0.48 CCNC(=O)NCC(F)F 273464a_100000765723_100015525214 [0,2,0,0,0,0|2,0,0]=4 8275 B9R0.48 CCNC(=O)NCC(F)F 273464a_100015525214_100000765723 [0,2,0,0,0,0|2,0,0]=4 8276 B9R0.48 CCNC(=O)NCC(F)F 512a_100000765723_100015525214 [0,2,0,0,0,0|2,0,0]=4 8277 B9R0.48 CCNC(=O)NCC(F)F 512a_100015525214_100000765723 [0,2,0,0,0,0|2,0,0]=4 8278 B9R0.48 CCNC(=O)NNC(C)C 273464a_100015525214_100000741168 [0,2,0,0,0,0|2,0,0]=4 8279 B9R0.48 CCNC(=O)NNC(C)C 512a_100000741168_100015525214 [0,2,0,0,0,0|2,0,0]=4 8280 B9R0.48 CCNC(=O)NNC(C)C 512a_100015525214_100000741168 [0,2,0,0,0,0|2,0,0]=4 8281 B9R0.48 CCNC(C)CCC(C)C 2230a_100015525214_100011261404 [0,2,0,0,0,0|1,0,1]=4 8282 B9R0.48 CCNC(C)CCC(C)C 2230a_100138410893_100000210202 [0,2,0,0,0,0|1,0,1]=4 8283 B9R0.48 CCNC(C)CCC(C)C 270004a_100015525214_100000210476 [0,2,0,0,0,0|1,0,1]=4 8284 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [0,2,0,0,0,0|0,0,1]=3 8285 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [0,2,0,0,0,0|0,0,1]=3 8286 B9R0.48 CCOC(=O)CCN(C)C 2230a_100000745921_200000210301 [0,2,0,0,0,0|1,0,0]=3 8287 B9R0.48 CCOC(=O)CCN(C)C 2230a_100102631434_100011206558 [0,2,0,0,0,0|1,0,0]=3 8288 B9R0.48 CCOC(=O)CCN(C)C 269982a_100000745921_200000210301 [0,2,0,0,0,0|1,0,0]=3 8289 B9R0.48 CCOC(=O)CCN(C)C 269982a_100102631434_100011206558 [0,2,0,0,0,0|1,0,0]=3 8290 B9R0.48 CCOC(=O)CCN(C)[13CH3] 2230a_100000745921_200025704644 [0,2,0,0,0,0|1,0,0]=3 8291 B9R0.48 CCOC(=O)CCN(C)[13CH3] 269982a_100000745921_200025704644 [0,2,0,0,0,0|1,0,0]=3 8292 B9R0.48 CCOC(=O)CNC(=O)C 188690a_100000741813_100015343762 [0,2,0,0,0,0|1,0,1]=4 8293 B9R0.48 CCOC(=O)CNC(C)C 2230a_100138425928_100000188475 [0,2,0,0,0,0|1,0,0]=3 8294 B9R0.48 CCOC(=O)CNC(C)C 34a_100138425928_100000188475 [0,2,0,0,0,0|1,0,0]=3 8295 B9R0.48 CCOC(=O)COC(C)C 34a_100000212225_100000188475 [0,2,0,0,0,0|1,0,0]=3 8296 B9R0.48 CCOC(=O)CSC(C)C 62a_100000188475_100000210206 [0,2,0,0,0,0|1,0,0]=3 8297 B9R0.48 CCOC(=O)CSC(C)C 62a_100000210206_100000188475 [0,2,0,0,0,0|1,0,0]=3 8298 B9R0.48 CCOC(=O)NCC(=O)C 1458a_100000190774_200000210301 [0,2,0,0,0,0|1,0,1]=4 8299 B9R0.48 CCOC(=O)NCC(=O)[13CH3] 1458a_100000190774_200025704644 [0,2,0,0,0,0|1,0,1]=4 8300 B9R0.48 CCOC(C)CCC(C)C 34a_100011215350_100000210202 [0,2,0,0,0,0|1,0,1]=4 8301 B9R0.48 CCOC(C)CCC(C)C 34a_100121572206_100011261404 [0,2,0,0,0,0|1,0,1]=4 8302 B9R0.48 CCOC(C)CCC(C)C 7a_100011215350_100000210202 [0,2,0,0,0,0|1,0,1]=4 8303 B9R0.48 CCSC(C)CCC(C)C 62a_100000210202_100011261404 [0,2,0,0,0,0|1,0,1]=4 8304 B9R0.48 CCSC(C)CCC(C)C 62a_100011261404_100000210202 [0,2,0,0,0,0|1,0,1]=4 8305 B9R0.48 CNCC(=O)COC(=O)C 34a_100102657272_100000036994 [0,2,0,0,0,0|1,0,1]=4 8306 B9R0.48 CNCC(=O)NCC(C)C 2230a_106832991635_100000183291 [0,2,0,0,0,0|1,0,0]=3 8307 B9R0.48 CNCC(=O)NCC(C)C 34a_100102657272_100000183291 [0,2,0,0,0,0|1,0,0]=3 8308 B9R0.48 CNCC(=O)NCC(C)C 7a_106832991635_100000183291 [0,2,0,0,0,0|1,0,0]=3 8309 B9R0.48 CNNC(=O)CCC(C)C 22a_100016993582_100000181311 [0,2,0,0,0,0|1,0,0]=3 8310 B9R0.48 CNNC(=O)CCN(C)C 22a_100016993582_100000689311 [0,2,0,0,0,0|2,0,0]=4 8311 B9R0.48 CNNC(=O)CC[S+](C)C 22a_100016993582_100009452791 [0,2,0,0,0,0|2,0,0]=4 8312 B9R0.48 CNNC(=O)COC(C)C 22a_100016993582_100000745533 [0,2,0,0,0,0|2,0,0]=4 8313 B9R0.48 CNNC(=O)CSC(C)C 22a_100016993582_100000241585 [0,2,0,0,0,0|2,0,0]=4 8314 B9R0.48 CNNC(=O)NCC(C)C 273464a_100000210953_100016993582 [0,2,0,0,0,0|2,0,0]=4 8315 B9R0.48 CNNC(=O)NCC(C)C 512a_100000210953_100016993582 [0,2,0,0,0,0|2,0,0]=4 8316 B9R0.48 CNNC(=O)NCC(C)C 512a_100016993582_100000210953 [0,2,0,0,0,0|2,0,0]=4 8317 B9R0.48 CNNC(=O)NCC(C)O 273464a_100000210904_100016993582 [0,2,0,0,0,0|2,0,0]=4 8318 B9R0.48 CNNC(=O)NCC(C)O 512a_100000210904_100016993582 [0,2,0,0,0,0|2,0,0]=4 8319 B9R0.48 CNNC(=O)NCC(C)O 512a_100016993582_100000210904 [0,2,0,0,0,0|2,0,0]=4 8320 B9R0.48 COCC(=O)CC=C(C)C 1458a_100000210968_100000761012 [0,2,0,0,0,0|0,0,2]=4 8321 B9R0.48 COCC(=O)CCC(C)C 1458a_100000210968_100000210312 [0,2,0,0,0,0|0,0,0]=2 8322 B9R0.48 COCC(=O)CCC(C)O 1458a_100000210968_100012276601 [0,2,0,0,0,0|0,0,0]=2 8323 B9R0.48 COCC(=O)COC(=O)C 34a_100138415774_100000036994 [0,2,0,0,0,0|1,0,1]=4 8324 B9R0.48 COCC(=O)NCC(C)C 11a_100000210953_100000210968 [0,2,0,0,0,0|1,0,0]=3 8325 B9R0.48 COCC(=O)NCC(C)C 1626a_100000210953_100000210968 [0,2,0,0,0,0|1,0,0]=3 8326 B9R0.48 COCC(=O)NCC(C)C 240690a_100000210953_100000210968 [0,2,0,0,0,0|1,0,0]=3 8327 B9R0.48 COCC(=O)NCC(C)C 34a_100138415774_100000183291 [0,2,0,0,0,0|1,0,0]=3 8328 B9R0.48 COCC(=O)NCC(C)C 527a_100000210953_100000210968 [0,2,0,0,0,0|1,0,0]=3 8329 B9R0.48 COCC(=O)NCC(C)O 11a_100000210904_100000210968 [0,2,0,0,0,0|1,0,0]=3 8330 B9R0.48 COCC(=O)NCC(C)O 240690a_100000210904_100000210968 [0,2,0,0,0,0|1,0,0]=3 8331 B9R0.48 COCC(=O)NCC(C)O 527a_100000210904_100000210968 [0,2,0,0,0,0|1,0,0]=3 8332 B9R0.48 COCC(=O)NCC(F)F 11a_100000765723_100000210968 [0,2,0,0,0,0|2,0,0]=4 8333 B9R0.48 COCC(=O)NCC(F)F 1626a_100000765723_100000210968 [0,2,0,0,0,0|2,0,0]=4 8334 B9R0.48 COCC(=O)NCC(F)F 240690a_100000765723_100000210968 [0,2,0,0,0,0|2,0,0]=4 8335 B9R0.48 COCC(=O)NCC(F)F 527a_100000765723_100000210968 [0,2,0,0,0,0|2,0,0]=4 8336 B9R0.48 COCC(=O)NNC(C)C 22a_100000741168_100000210968 [0,2,0,0,0,0|2,0,0]=4 8337 B9R0.48 COCN(C)CCC(C)C 2230a_100000742789_100000766300 [0,2,0,0,0,0|2,0,0]=4 8338 B9R0.48 COCN(C)CCC(C)C 269982a_100000742789_100000766300 [0,2,0,0,0,0|2,0,0]=4 8339 B9R0.48 CSCC(=O)CC=C(C)C 1458a_100000184570_100000761012 [0,2,0,0,0,0|0,0,2]=4 8340 B9R0.48 CSCC(=O)CCC(C)C 1458a_100000184570_100000210312 [0,2,0,0,0,0|0,0,0]=2 8341 B9R0.48 CSCC(=O)CCC(C)O 1458a_100000184570_100012276601 [0,2,0,0,0,0|0,0,0]=2 8342 B9R0.48 CSCC(=O)COC(=O)C 62a_100000036994_200000210301 [0,2,0,0,0,0|1,0,1]=4 8343 B9R0.48 CSCC(=O)COC(=O)C 62a_200000210301_100000036994 [0,2,0,0,0,0|1,0,1]=4 8344 B9R0.48 CSCC(=O)NCC(C)C 11a_100000210953_100000184570 [0,2,0,0,0,0|1,0,0]=3 8345 B9R0.48 CSCC(=O)NCC(C)C 1626a_100000210953_100000184570 [0,2,0,0,0,0|1,0,0]=3 8346 B9R0.48 CSCC(=O)NCC(C)C 240690a_100000210953_100000184570 [0,2,0,0,0,0|1,0,0]=3 8347 B9R0.48 CSCC(=O)NCC(C)C 527a_100000210953_100000184570 [0,2,0,0,0,0|1,0,0]=3 8348 B9R0.48 CSCC(=O)NCC(C)C 62a_100000183291_200000210301 [0,2,0,0,0,0|1,0,0]=3 8349 B9R0.48 CSCC(=O)NCC(C)C 62a_200000210301_100000183291 [0,2,0,0,0,0|1,0,0]=3 8350 B9R0.48 CSCC(=O)NCC(C)O 11a_100000210904_100000184570 [0,2,0,0,0,0|1,0,0]=3 8351 B9R0.48 CSCC(=O)NCC(C)O 240690a_100000210904_100000184570 [0,2,0,0,0,0|1,0,0]=3 8352 B9R0.48 CSCC(=O)NCC(C)O 527a_100000210904_100000184570 [0,2,0,0,0,0|1,0,0]=3 8353 B9R0.48 CSCC(=O)NCC(F)F 11a_100000765723_100000184570 [0,2,0,0,0,0|2,0,0]=4 8354 B9R0.48 CSCC(=O)NCC(F)F 1626a_100000765723_100000184570 [0,2,0,0,0,0|2,0,0]=4 8355 B9R0.48 CSCC(=O)NCC(F)F 240690a_100000765723_100000184570 [0,2,0,0,0,0|2,0,0]=4 8356 B9R0.48 CSCC(=O)NCC(F)F 527a_100000765723_100000184570 [0,2,0,0,0,0|2,0,0]=4 8357 B9R0.48 CSCC(=O)NNC(C)C 22a_100000741168_100000184570 [0,2,0,0,0,0|2,0,0]=4 8358 B9R0.48 CSCN(C)CCC(C)C 2230a_100000742789_100011218213 [0,2,0,0,0,0|2,0,0]=4 8359 B9R0.48 CSCN(C)CCC(C)C 269982a_100000742789_100011218213 [0,2,0,0,0,0|2,0,0]=4 8360 B9R0.48 C[S+](C)CCC(=O)CC#N 1458a_100009452791_100011214920 [0,2,0,0,0,0|1,0,1]=4 8361 B9R0.48 C[S+](C)CCC(=O)CCF 1458a_100009452791_100011217306 [0,2,0,0,0,0|1,0,0]=3 8362 B9R0.48 C[S+](C)CCC(=O)CCO 1458a_100009452791_100000211926 [0,2,0,0,0,0|1,0,0]=3 8363 B9R0.48 NC(=O)CCC(=O)CCF 1458a_100011215257_100011217306 [0,2,0,0,0,0|1,0,1]=4 8364 B9R0.48 NC(=O)CCC(=O)CCO 1458a_100011215257_100000211926 [0,2,0,0,0,0|1,0,1]=4 8365 B9R0.48 O=C(CCF)CC[N+](=O)[O-] 1458a_200000064761_100011217306 [0,2,0,0,0,0|2,0,0]=4 8366 B9R0.48 O=C(CCF)COC(F)F 1458a_200000719455_100011217306 [0,2,0,0,0,0|2,0,0]=4 8367 B9R0.48 O=C(CCF)CSC(F)F 1458a_114828291038_100011217306 [0,2,0,0,0,0|2,0,0]=4 8368 B9R0.48 O=C(CCO)CC[N+](=O)[O-] 1458a_200000064761_100000211926 [0,2,0,0,0,0|2,0,0]=4 8369 B9R0.48 O=C(CCO)COC(F)F 1458a_200000719455_100000211926 [0,2,0,0,0,0|2,0,0]=4 8370 B9R0.48 O=C(CCO)CSC(F)F 1458a_114828291038_100000211926 [0,2,0,0,0,0|2,0,0]=4 8371 B9R0.48 O=C(CCO)NCC(F)F 240690a_100000765723_100011216618 [0,2,0,0,0,0|2,0,0]=4 8372 B9R0.66 CCCCC(C)(C)COC 7a_200011995781_200000210301 [0,2,0,0,0,0|1,0,1]=4 8373 B9R0.66 CCCCC(C)(C)CO[13CH3] 7a_200011995781_200025704644 [0,2,0,0,0,0|1,0,1]=4 8374 B9R0.66 CCCCC(C)(C)OCC 7a_100011219641_100000210202 [0,2,0,0,0,0|1,0,1]=4 8375 B9R0.66 CCCCS(=O)(=O)NCC 270084a_100015525214_100000212082 [0,2,0,0,0,0|1,0,0]=3 8376 B9R0.66 CCCCS(=O)(=O)NCC 274078a_100015525214_100000212082 [0,2,0,0,0,0|1,0,0]=3 8377 B9R0.66 CCCCS(=O)(=O)NCC 40a_100015525214_100000054263 [0,2,0,0,0,0|1,0,0]=3 8378 B9R0.66 CCCCS(=O)(=O)NNC 40a_100016993582_100000054263 [0,2,0,0,0,0|2,0,0]=4 8379 B9R0.66 CCCC[Si](C)(C)CNC 7a_106832991635_200000073895 [0,2,0,0,0,0|1,1,0]=4 8380 B9R0.66 CCCC[Si](C)(C)CSC 62a_200000073895_200000210301 [0,2,0,0,0,0|1,1,0]=4 8381 B9R0.66 CCCC[Si](C)(C)CSC 62a_200000210301_200000073895 [0,2,0,0,0,0|1,1,0]=4 8382 B9R0.66 CCCC[Si](C)(C)CS[13CH3] 62a_200000073895_200025704644 [0,2,0,0,0,0|1,1,0]=4 8383 B9R0.66 CCCC[Si](C)(C)CS[13CH3] 62a_200025704644_200000073895 [0,2,0,0,0,0|1,1,0]=4 8384 B9R0.66 CCCNS(=O)(=O)CCBr 270084a_100020643023_100000731045 [0,2,0,0,0,0|2,0,0]=4 8385 B9R0.66 CCCNS(=O)(=O)CCBr 274078a_100020643023_100000731045 [0,2,0,0,0,0|2,0,0]=4 8386 B9R0.66 CCCNS(=O)(=O)CCC 270084a_100020643023_100000211391 [0,2,0,0,0,0|2,0,0]=4 8387 B9R0.66 CCCNS(=O)(=O)CCC 274078a_100020643023_100000211391 [0,2,0,0,0,0|2,0,0]=4 8388 B9R0.66 CCCNS(=O)(=O)CCC 40a_100020643023_100000054278 [0,2,0,0,0,0|2,0,0]=4 8389 B9R0.66 CCCNS(=O)(=O)CCCl 270084a_100020643023_100000184613 [0,2,0,0,0,0|2,0,0]=4 8390 B9R0.66 CCCNS(=O)(=O)CCCl 274078a_100020643023_100000184613 [0,2,0,0,0,0|2,0,0]=4 8391 B9R0.66 CCNS(=O)(=O)CCCCl 270084a_100015525214_100000211827 [0,2,0,0,0,0|2,0,0]=4 8392 B9R0.66 CCNS(=O)(=O)CCCF 270084a_100015525214_200000759752 [0,2,0,0,0,0|2,0,0]=4 8393 B9R0.66 CCNS(=O)(=O)CCCF 274078a_100015525214_200000759752 [0,2,0,0,0,0|2,0,0]=4 8394 B9R0.66 CCNS(=O)(=O)CCOC 270084a_100015525214_100000745348 [0,2,0,0,0,0|2,0,0]=4 8395 B9R0.66 CCNS(=O)(=O)CCOC 274078a_100015525214_100000745348 [0,2,0,0,0,0|2,0,0]=4 8396 B9R0.6 C=C(C)C(=O)C(C)CCC 1458a_100000185857_100000766640 [0,2,0,0,0,0|0,0,1]=3 8397 B9R0.6 C=C(C)C(=O)C(C)CCO 1458a_100000185857_100009893172 [0,2,0,0,0,0|1,0,1]=4 8398 B9R0.6 C=C(C)C(=O)C(C)COC 1458a_100000185857_100000765312 [0,2,0,0,0,0|1,0,1]=4 8399 B9R0.6 C=C(C)C(=O)N(C)CCC 11a_100000747261_100000185857 [0,2,0,0,0,0|1,0,1]=4 8400 B9R0.6 C=C(C)C(=O)N(C)CCC 1626a_100000747261_100000185857 [0,2,0,0,0,0|1,0,1]=4 8401 B9R0.6 C=CCC(C)C(=O)C(C)C 1458a_100011216819_100000210206 [0,2,0,0,0,0|0,0,2]=4 8402 B9R0.6 CC(C)C(=O)C(C)CC#N 1458a_100000210198_100009813641 [0,2,0,0,0,0|1,0,1]=4 8403 B9R0.6 CC(C)C(=O)C(C)CCO 1458a_100000210198_100009893172 [0,2,0,0,0,0|1,0,0]=3 8404 B9R0.6 CC(C)C(=O)C(C)SCF 62a_100009893295_100015361967 [0,2,0,0,0,0|2,0,0]=4 8405 B9R0.6 CC(C)C(=O)C(C)SCF 62a_100015361967_100009893295 [0,2,0,0,0,0|2,0,0]=4 8406 B9R0.6 CC(C)C(=O)N(C)CCO 240690a_100000210263_100000210198 [0,2,0,0,0,0|2,0,0]=4 8407 B9R0.6 CC(C)C(=O)N(C)CCO 527a_100000210263_100000210198 [0,2,0,0,0,0|2,0,0]=4 8408 B9R0.6 CC(CC#N)C(=O)[C@@H](C)O 1458a_100000717761_100009813641 [0,2,0,0,0,0|1,0,1]=4 8409 B9R0.6 CC(CC#N)C(=O)[C@H](C)O 1458a_217856618621_100009813641 [0,2,0,0,0,0|1,0,1]=4 8410 B9R0.6 CC(CCO)C(=O)C(O)O 1458a_100000233687_100009893172 [0,2,0,0,0,0|2,0,0]=4 8411 B9R0.6 CC(CCO)C(=O)[C@@H](C)O 1458a_100000717761_100009893172 [0,2,0,0,0,0|1,0,0]=3 8412 B9R0.6 CC(CCO)C(=O)[C@H](C)O 1458a_217856618621_100009893172 [0,2,0,0,0,0|1,0,0]=3 8413 B9R0.6 CC(F)C(=O)C(C)CC#N 1458a_100000062450_100009813641 [0,2,0,0,0,0|1,0,1]=4 8414 B9R0.6 CC(F)C(=O)C(C)CCO 1458a_100000062450_100009893172 [0,2,0,0,0,0|1,0,0]=3 8415 B9R0.6 CC(F)C(=O)N(C)CCO 240690a_100000210263_100000062450 [0,2,0,0,0,0|2,0,0]=4 8416 B9R0.6 CC(F)C(=O)N(C)CCO 527a_100000210263_100000062450 [0,2,0,0,0,0|2,0,0]=4 8417 B9R0.6 CC/C=C(\C)/C(=O)C(C)C 1458a_100016988807_100000210206 [0,2,0,0,0,0|0,0,2]=4 8418 B9R0.6 CCCC(=O)C(=O)N(C)C 1458a_100011218876_100000210303 [0,2,0,0,0,0|1,0,1]=4 8419 B9R0.6 CCCC(C)C(=O)C(C)C 1458a_100000210198_100000766640 [0,2,0,0,0,0|0,0,0]=2 8420 B9R0.6 CCCC(C)C(=O)C(C)C 1458a_100000210906_100000210206 [0,2,0,0,0,0|0,0,0]=2 8421 B9R0.6 CCCC(C)C(=O)C(C)F 1458a_100000062450_100000766640 [0,2,0,0,0,0|0,0,0]=2 8422 B9R0.6 CCCC(C)C(=O)C(O)O 1458a_100000233687_100000766640 [0,2,0,0,0,0|1,0,0]=3 8423 B9R0.6 CCCC(C)C(=O)N(C)C 11a_100102631434_100000210906 [0,2,0,0,0,0|1,0,0]=3 8424 B9R0.6 CCCC(C)C(=O)N(C)C 1626a_100102631434_100000210906 [0,2,0,0,0,0|1,0,0]=3 8425 B9R0.6 CCCC(C)C(=O)N(C)C 240690a_100102631434_100000210906 [0,2,0,0,0,0|1,0,0]=3 8426 B9R0.6 CCCC(C)C(=O)N(C)C 527a_100102631434_100000210906 [0,2,0,0,0,0|1,0,0]=3 8427 B9R0.6 CCCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000766640 [0,2,0,0,0,0|0,0,0]=2 8428 B9R0.6 CCCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000766640 [0,2,0,0,0,0|0,0,0]=2 8429 B9R0.6 CCCC(C)N(C)C(C)C 269982a_200000211004_100000766640 [0,2,0,0,0,0|2,0,0]=4 8430 B9R0.6 CCCC(C)N(C)C(C)C 270004a_200000211004_100000211909 [0,2,0,0,0,0|2,0,0]=4 8431 B9R0.6 CCCN(C)C(=O)C(C)C 11a_100000747261_100000210198 [0,2,0,0,0,0|1,0,0]=3 8432 B9R0.6 CCCN(C)C(=O)C(C)C 1626a_100000747261_100000210198 [0,2,0,0,0,0|1,0,0]=3 8433 B9R0.6 CCCN(C)C(=O)C(C)C 240690a_100000747261_100000210198 [0,2,0,0,0,0|1,0,0]=3 8434 B9R0.6 CCCN(C)C(=O)C(C)C 527a_100000747261_100000210198 [0,2,0,0,0,0|1,0,0]=3 8435 B9R0.6 CCCN(C)C(=O)C(C)F 11a_100000747261_100000062450 [0,2,0,0,0,0|1,0,0]=3 8436 B9R0.6 CCCN(C)C(=O)C(C)F 1626a_100000747261_100000062450 [0,2,0,0,0,0|1,0,0]=3 8437 B9R0.6 CCCN(C)C(=O)C(C)F 240690a_100000747261_100000062450 [0,2,0,0,0,0|1,0,0]=3 8438 B9R0.6 CCCN(C)C(=O)C(C)F 527a_100000747261_100000062450 [0,2,0,0,0,0|1,0,0]=3 8439 B9R0.6 CCCN(C)C(=O)C(F)F 11a_100000747261_100000210393 [0,2,0,0,0,0|2,0,0]=4 8440 B9R0.6 CCCN(C)C(=O)C(F)F 1626a_100000747261_100000210393 [0,2,0,0,0,0|2,0,0]=4 8441 B9R0.6 CCCN(C)C(=O)C(F)F 240690a_100000747261_100000210393 [0,2,0,0,0,0|2,0,0]=4 8442 B9R0.6 CCCN(C)C(=O)C(F)F 527a_100000747261_100000210393 [0,2,0,0,0,0|2,0,0]=4 8443 B9R0.6 CCCN(C)C(=O)C(O)O 240690a_100000747261_100000233687 [0,2,0,0,0,0|2,0,0]=4 8444 B9R0.6 CCCN(C)C(=O)[C@@H](C)O 240690a_100000747261_100000717761 [0,2,0,0,0,0|1,0,0]=3 8445 B9R0.6 CCCN(C)C(=O)[C@H](C)O 1626a_100000747261_217856618621 [0,2,0,0,0,0|1,0,0]=3 8446 B9R0.6 CCCN(C)C(=O)[C@H](C)O 240690a_100000747261_217856618621 [0,2,0,0,0,0|1,0,0]=3 8447 B9R0.6 CCC[C@H](O)C(=O)C(C)C 1458a_100009822183_100000210206 [0,2,0,0,0,0|0,0,0]=2 8448 B9R0.6 CCC[C@H](O)C(=O)N(C)C 240690a_100102631434_100009822183 [0,2,0,0,0,0|1,0,0]=3 8449 B9R0.6 CCNC(=O)C(=O)C(C)C 1458a_200011297158_100000210206 [0,2,0,0,0,0|1,0,1]=4 8450 B9R0.6 CCNC(C)C(=O)C(C)C 2230a_100015525214_100009893295 [0,2,0,0,0,0|1,0,0]=3 8451 B9R0.6 CCNC(C)C(=O)N(C)C 2230a_100015525214_100000209910 [0,2,0,0,0,0|2,0,0]=4 8452 B9R0.6 CCN[C@@H](C)C(=O)N(C)C 2230a_100000697320_100000210202 [0,2,0,0,0,0|2,0,0]=4 8453 B9R0.6 CCN[C@@H](C)C(=O)N(C)C 34a_100000697320_100000210202 [0,2,0,0,0,0|2,0,0]=4 8454 B9R0.6 CCOC(C)C(=O)C(C)C 1458a_100000739345_100000210206 [0,2,0,0,0,0|1,0,0]=3 8455 B9R0.6 CCOC(C)C(=O)N(C)C 11a_100102631434_100000739345 [0,2,0,0,0,0|2,0,0]=4 8456 B9R0.6 CCOC(C)C(=O)N(C)C 1626a_100102631434_100000739345 [0,2,0,0,0,0|2,0,0]=4 8457 B9R0.6 CCOC(C)C(=O)N(C)C 240690a_100102631434_100000739345 [0,2,0,0,0,0|2,0,0]=4 8458 B9R0.6 CCOC(C)C(=O)N(C)C 527a_100102631434_100000739345 [0,2,0,0,0,0|2,0,0]=4 8459 B9R0.6 CCSC(C)C(=O)C(C)C 1458a_100000230601_100000210206 [0,2,0,0,0,0|1,0,0]=3 8460 B9R0.6 CCSC(C)C(=O)C(C)C 62a_100000210202_100009893295 [0,2,0,0,0,0|1,0,0]=3 8461 B9R0.6 CCSC(C)C(=O)C(C)C 62a_100009893295_100000210202 [0,2,0,0,0,0|1,0,0]=3 8462 B9R0.6 CCSC(C)C(=O)N(C)C 11a_100102631434_100000230601 [0,2,0,0,0,0|2,0,0]=4 8463 B9R0.6 CCSC(C)C(=O)N(C)C 1626a_100102631434_100000230601 [0,2,0,0,0,0|2,0,0]=4 8464 B9R0.6 CCSC(C)C(=O)N(C)C 240690a_100102631434_100000230601 [0,2,0,0,0,0|2,0,0]=4 8465 B9R0.6 CCSC(C)C(=O)N(C)C 527a_100102631434_100000230601 [0,2,0,0,0,0|2,0,0]=4 8466 B9R0.6 CCSC(C)C(=O)N(C)C 62a_100000209910_100000210202 [0,2,0,0,0,0|2,0,0]=4 8467 B9R0.6 CCSC(C)C(=O)N(C)C 62a_100000210202_100000209910 [0,2,0,0,0,0|2,0,0]=4 8468 B9R0.6 COCC(C)C(=O)C(C)C 1458a_100000210198_100000765312 [0,2,0,0,0,0|1,0,0]=3 8469 B9R0.6 COCC(C)C(=O)C(C)C 1458a_100000751857_100000210206 [0,2,0,0,0,0|1,0,0]=3 8470 B9R0.6 COCC(C)C(=O)C(C)F 1458a_100000062450_100000765312 [0,2,0,0,0,0|1,0,0]=3 8471 B9R0.6 COCC(C)C(=O)C(O)O 1458a_100000233687_100000765312 [0,2,0,0,0,0|2,0,0]=4 8472 B9R0.6 COCC(C)C(=O)N(C)C 11a_100102631434_100000751857 [0,2,0,0,0,0|2,0,0]=4 8473 B9R0.6 COCC(C)C(=O)N(C)C 1626a_100102631434_100000751857 [0,2,0,0,0,0|2,0,0]=4 8474 B9R0.6 COCC(C)C(=O)N(C)C 240690a_100102631434_100000751857 [0,2,0,0,0,0|2,0,0]=4 8475 B9R0.6 COCC(C)C(=O)N(C)C 527a_100102631434_100000751857 [0,2,0,0,0,0|2,0,0]=4 8476 B9R0.6 COCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000765312 [0,2,0,0,0,0|1,0,0]=3 8477 B9R0.6 COCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000765312 [0,2,0,0,0,0|1,0,0]=3 8478 B9R0.6 CSCC(C)C(=O)C(C)C 1458a_100000753918_100000210206 [0,2,0,0,0,0|1,0,0]=3 8479 B9R0.6 CSCC(C)C(=O)N(C)C 11a_100102631434_100000753918 [0,2,0,0,0,0|2,0,0]=4 8480 B9R0.6 CSCC(C)C(=O)N(C)C 1626a_100102631434_100000753918 [0,2,0,0,0,0|2,0,0]=4 8481 B9R0.6 CSCC(C)C(=O)N(C)C 240690a_100102631434_100000753918 [0,2,0,0,0,0|2,0,0]=4 8482 B9R0.6 CSCC(C)C(=O)N(C)C 527a_100102631434_100000753918 [0,2,0,0,0,0|2,0,0]=4 8483 B9R0.6 C[C@@H](O)C(=O)N(C)CCO 240690a_100000210263_100000717761 [0,2,0,0,0,0|2,0,0]=4 8484 B9R0.6 C[C@H](O)C(=O)N(C)CCO 240690a_100000210263_217856618621 [0,2,0,0,0,0|2,0,0]=4 8485 B9R0.12 C#CC(=O)C(CC)CCC 1458a_100000211873_100011219200 [0,2,0,0,0,0|0,0,2]=4 8486 B9R0.12 C=CC(=O)C(CC)CCC 1458a_100000185746_100011219200 [0,2,0,0,0,0|0,0,2]=4 8487 B9R0.12 CCC(=O)C(CC)OCF 34a_200011218131_100015361967 [0,2,0,0,0,0|2,0,0]=4 8488 B9R0.12 CCC(=O)C(CC)OCF 7a_200011218131_100015361967 [0,2,0,0,0,0|2,0,0]=4 8489 B9R0.12 CCC(=O)N(CC)CCO 240690a_100000210973_100000210414 [0,2,0,0,0,0|2,0,0]=4 8490 B9R0.12 CCC(=O)N(CC)CCO 527a_100000210973_100000210414 [0,2,0,0,0,0|2,0,0]=4 8491 B9R0.12 CCCC(C#N)N(C)CC 2230a_100000727963_100000210202 [0,2,0,0,0,0|2,0,0]=4 8492 B9R0.12 CCCC(CC)C(=O)CC 1458a_100000210414_100011219200 [0,2,0,0,0,0|0,0,0]=2 8493 B9R0.12 CCCC(CC)C(=O)CC 1458a_100011416436_100000210202 [0,2,0,0,0,0|0,0,0]=2 8494 B9R0.12 CCCC(CC)C(=O)CF 1458a_100011416436_100015361967 [0,2,0,0,0,0|1,0,0]=3 8495 B9R0.12 CCCC(CC)C(=O)CO 1458a_100000210174_100011219200 [0,2,0,0,0,0|1,0,0]=3 8496 B9R0.12 CCCC(CC)C(=O)NC 11a_106832991635_100011416436 [0,2,0,0,0,0|1,0,0]=3 8497 B9R0.12 CCCC(CC)C(=O)NC 1626a_100102657272_100011416436 [0,2,0,0,0,0|1,0,0]=3 8498 B9R0.12 CCCC(CC)C(=O)NC 240690a_100102657272_100011416436 [0,2,0,0,0,0|1,0,0]=3 8499 B9R0.12 CCCC(CC)C(=O)NC 527a_100102657272_100011416436 [0,2,0,0,0,0|1,0,0]=3 8500 B9R0.12 CCCC(CC)N(C)CC 269982a_100000225621_100011219200 [0,2,0,0,0,0|2,0,0]=4 8501 B9R0.12 CCCC(NC)C(=O)NC 2230a_106256046333_200000210301 [0,2,0,0,0,0|1,0,0]=3 8502 B9R0.12 CCCC(NC)C(=O)NC 34a_106256046333_200000210301 [0,2,0,0,0,0|1,0,0]=3 8503 B9R0.12 CCCC(NC)C(=O)OC 2230a_106832991635_200009843822 [0,2,0,0,0,0|1,0,0]=3 8504 B9R0.12 CCCC(NC)C(=O)OC 34a_100102657272_200009843822 [0,2,0,0,0,0|1,0,0]=3 8505 B9R0.12 CCCC(NC)C(=O)OC 7a_106832991635_200009843822 [0,2,0,0,0,0|1,0,0]=3 8506 B9R0.12 CCCC(NC)C(C)CC 270004a_106832991635_100011218362 [0,2,0,0,0,0|1,0,1]=4 8507 B9R0.12 CCCC(N[13CH3])C(=O)NC 2230a_106256046333_200025704644 [0,2,0,0,0,0|1,0,0]=3 8508 B9R0.12 CCCC(N[13CH3])C(=O)NC 34a_106256046333_200025704644 [0,2,0,0,0,0|1,0,0]=3 8509 B9R0.12 CCCC(OC)C(=O)OC 34a_100138415774_200009843822 [0,2,0,0,0,0|1,0,0]=3 8510 B9R0.12 CCCC(OC)C(C)CC 34a_100011215975_200000210301 [0,2,0,0,0,0|1,0,1]=4 8511 B9R0.12 CCCC(OC)C(C)CC 7a_100011215975_200000210301 [0,2,0,0,0,0|1,0,1]=4 8512 B9R0.12 CCCC(O[13CH3])C(C)CC 34a_100011215975_200025704644 [0,2,0,0,0,0|1,0,1]=4 8513 B9R0.12 CCCC(O[13CH3])C(C)CC 7a_100011215975_200025704644 [0,2,0,0,0,0|1,0,1]=4 8514 B9R0.12 CCCC(SC)C(=O)OC 62a_200000210301_200009843822 [0,2,0,0,0,0|1,0,0]=3 8515 B9R0.12 CCCC(SC)C(=O)OC 62a_200009843822_200000210301 [0,2,0,0,0,0|1,0,0]=3 8516 B9R0.12 CCCC(S[13CH3])C(=O)OC 62a_200009843822_200025704644 [0,2,0,0,0,0|1,0,0]=3 8517 B9R0.12 CCCC(S[13CH3])C(=O)OC 62a_200025704644_200009843822 [0,2,0,0,0,0|1,0,0]=3 8518 B9R0.12 CCCN(CC)C(=O)CC 11a_100000226822_100000210414 [0,2,0,0,0,0|1,0,0]=3 8519 B9R0.12 CCCN(CC)C(=O)CC 1626a_100000226822_100000210414 [0,2,0,0,0,0|1,0,0]=3 8520 B9R0.12 CCCN(CC)C(=O)CC 240690a_100000226822_100000210414 [0,2,0,0,0,0|1,0,0]=3 8521 B9R0.12 CCCN(CC)C(=O)CC 527a_100000226822_100000210414 [0,2,0,0,0,0|1,0,0]=3 8522 B9R0.12 CCCN(CC)C(=O)CO 240690a_100000226822_100000210174 [0,2,0,0,0,0|2,0,0]=4 8523 B9R0.12 CCCN(CC)C(=O)CO 527a_100000226822_100000210174 [0,2,0,0,0,0|2,0,0]=4 8524 B9R0.12 CCCN(CC)C(=O)NC 2708a_100102657272_100000226822 [0,2,0,0,0,0|2,0,0]=4 8525 B9R0.12 CCCN(CC)C(=O)NC 273464a_100102657272_100000226822 [0,2,0,0,0,0|2,0,0]=4 8526 B9R0.12 CCNC(CC)C(=O)OC 2230a_100015525214_100000235869 [0,2,0,0,0,0|2,0,0]=4 8527 B9R0.12 CCN[C@@H](CC)C(=O)NC 2230a_106657271573_100000210202 [0,2,0,0,0,0|2,0,0]=4 8528 B9R0.12 CCN[C@@H](CC)C(=O)NC 34a_106657271573_100000210202 [0,2,0,0,0,0|2,0,0]=4 8529 B9R0.12 CCOC(C=O)C(=O)OC 34a_100121572206_100000046368 [0,2,0,0,0,0|2,0,0]=4 8530 B9R0.12 CCOC(CC)C(=O)CC 34a_200011218131_100000210202 [0,2,0,0,0,0|1,0,0]=3 8531 B9R0.12 CCOC(CC)C(=O)CC 7a_200011218131_100000210202 [0,2,0,0,0,0|1,0,0]=3 8532 B9R0.12 CCOC(CC)C(=O)OC 34a_100000695916_100000210202 [0,2,0,0,0,0|2,0,0]=4 8533 B9R0.12 CCOC(CC)C(=O)OC 34a_100121572206_100000235869 [0,2,0,0,0,0|2,0,0]=4 8534 B9R0.12 CCOC(CC)C(=O)OC 7a_100000695916_100000210202 [0,2,0,0,0,0|2,0,0]=4 8535 B9R0.12 CCOC(CN)C(=O)OC 34a_100000695228_100000210202 [0,2,0,0,0,0|2,0,0]=4 8536 B9R0.12 CCOC(CO)C(=O)OC 34a_100121572206_100012276630 [0,2,0,0,0,0|2,0,0]=4 8537 B9R0.12 CCOC(OC)C(=O)OC 34a_100000036821_100000210202 [0,2,0,0,0,0|2,0,0]=4 8538 B9R0.12 CCOC(OC)C(=O)OC 34a_100121572206_100000101307 [0,2,0,0,0,0|2,0,0]=4 8539 B9R0.12 CCSC(C=O)C(=O)OC 62a_100000046368_100000210202 [0,2,0,0,0,0|2,0,0]=4 8540 B9R0.12 CCSC(C=O)C(=O)OC 62a_100000210202_100000046368 [0,2,0,0,0,0|2,0,0]=4 8541 B9R0.12 CCSC(CC)C(=O)OC 62a_100000210202_100000235869 [0,2,0,0,0,0|2,0,0]=4 8542 B9R0.12 CCSC(CC)C(=O)OC 62a_100000235869_100000210202 [0,2,0,0,0,0|2,0,0]=4 8543 B9R0.12 CCSC(CO)C(=O)OC 62a_100000210202_100012276630 [0,2,0,0,0,0|2,0,0]=4 8544 B9R0.12 CCSC(CO)C(=O)OC 62a_100012276630_100000210202 [0,2,0,0,0,0|2,0,0]=4 8545 B9R0.12 CCSC(OC)C(=O)OC 62a_100000101307_100000210202 [0,2,0,0,0,0|2,0,0]=4 8546 B9R0.12 CCSC(OC)C(=O)OC 62a_100000210202_100000101307 [0,2,0,0,0,0|2,0,0]=4 8547 B9R0.12 CNC(COC)C(=O)OC 34a_100102657272_100000717350 [0,2,0,0,0,0|2,0,0]=4 8548 B9R0.12 COCC(OC)C(=O)OC 34a_100138415774_100000717350 [0,2,0,0,0,0|2,0,0]=4 8549 B9R0.12 COCC(SC)C(=O)OC 62a_100000717350_200000210301 [0,2,0,0,0,0|2,0,0]=4 8550 B9R0.12 COCC(SC)C(=O)OC 62a_200000210301_100000717350 [0,2,0,0,0,0|2,0,0]=4 8551 B9R0.12 COCC(S[13CH3])C(=O)OC 62a_100000717350_200025704644 [0,2,0,0,0,0|2,0,0]=4 8552 B9R0.12 COCC(S[13CH3])C(=O)OC 62a_200025704644_100000717350 [0,2,0,0,0,0|2,0,0]=4 8553 B9R0.19 CCCC(C)S(=O)(=O)NC 270084a_100102657272_100000718301 [0,2,0,0,0,0|2,0,0]=4 8554 B9R0.19 CCCC(C)S(=O)(=O)NC 274078a_100102657272_100000718301 [0,2,0,0,0,0|2,0,0]=4 8555 B9R0.19 CCCN(C)S(=O)(=O)CC 270084a_100000747261_100000211323 [0,2,0,0,0,0|2,0,0]=4 8556 B9R0.19 CCCN(C)S(=O)(=O)CC 274078a_100000747261_100000211323 [0,2,0,0,0,0|2,0,0]=4 8557 B9R0.19 CCCN(C)S(=O)(=O)CC 40a_100000747261_100000053943 [0,2,0,0,0,0|2,0,0]=4 8558 B9R0.23 C#CC(=O)C(C)CC(C)C 1458a_100000211873_100000731052 [0,2,0,0,0,0|0,0,2]=4 8559 B9R0.23 C=C(C)CN(C)C(=O)CC 11a_100000225649_100000210414 [0,2,0,0,0,0|1,0,1]=4 8560 B9R0.23 C=C(C)CN(C)C(=O)CC 1626a_100000225649_100000210414 [0,2,0,0,0,0|1,0,1]=4 8561 B9R0.23 C=C(C)CN(C)C(=O)CC 527a_100000225649_100000210414 [0,2,0,0,0,0|1,0,1]=4 8562 B9R0.23 C=CC(=O)C(C)CC(C)C 1458a_100000185746_100000731052 [0,2,0,0,0,0|0,0,2]=4 8563 B9R0.23 CC(C)CC(C)C(=O)CO 1458a_100000210174_100000731052 [0,2,0,0,0,0|1,0,0]=3 8564 B9R0.23 CC(C)CN(C)C(=O)CO 240690a_100000747067_100000210174 [0,2,0,0,0,0|2,0,0]=4 8565 B9R0.23 CC(C)CN(C)C(=O)CO 527a_100000747067_100000210174 [0,2,0,0,0,0|2,0,0]=4 8566 B9R0.23 CC(C)C[C@H](O)C(=O)CF 1458a_100012027011_100015361967 [0,2,0,0,0,0|1,0,0]=3 8567 B9R0.23 CC(CN(C)C)C(=O)CF 1458a_200015186601_100015361967 [0,2,0,0,0,0|2,0,0]=4 8568 B9R0.23 CC(O)CN(C)C(=O)CO 240690a_100000227577_100000210174 [0,2,0,0,0,0|2,0,0]=4 8569 B9R0.23 CC(O)CN(C)C(=O)CO 527a_100000227577_100000210174 [0,2,0,0,0,0|2,0,0]=4 8570 B9R0.23 CCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210202 [0,2,0,0,0,0|1,0,1]=4 8571 B9R0.23 CCC(=O)C(C)CC(C)C 1458a_100000210414_100000731052 [0,2,0,0,0,0|0,0,0]=2 8572 B9R0.23 CCC(=O)C(C)CN(C)C 1458a_200015186601_100000210202 [0,2,0,0,0,0|1,0,0]=3 8573 B9R0.23 CCC(=O)C(C)NC(C)C 2230a_100138425928_100000742827 [0,2,0,0,0,0|1,0,0]=3 8574 B9R0.23 CCC(=O)C(C)OC(=O)C 1458a_100000210414_100009818208 [0,2,0,0,0,0|1,0,1]=4 8575 B9R0.23 CCC(=O)C(C)SC(C)C 62a_100000210206_100000742827 [0,2,0,0,0,0|1,0,0]=3 8576 B9R0.23 CCC(=O)C(C)SC(C)C 62a_100000742827_100000210206 [0,2,0,0,0,0|1,0,0]=3 8577 B9R0.23 CCC(=O)N(C)CC(C)C 11a_100000747067_100000210414 [0,2,0,0,0,0|1,0,0]=3 8578 B9R0.23 CCC(=O)N(C)CC(C)C 1626a_100000747067_100000210414 [0,2,0,0,0,0|1,0,0]=3 8579 B9R0.23 CCC(=O)N(C)CC(C)C 240690a_100000747067_100000210414 [0,2,0,0,0,0|1,0,0]=3 8580 B9R0.23 CCC(=O)N(C)CC(C)C 527a_100000747067_100000210414 [0,2,0,0,0,0|1,0,0]=3 8581 B9R0.23 CCC(=O)N(C)CC(C)O 240690a_100000227577_100000210414 [0,2,0,0,0,0|1,0,0]=3 8582 B9R0.23 CCC(=O)N(C)CC(C)O 527a_100000227577_100000210414 [0,2,0,0,0,0|1,0,0]=3 8583 B9R0.23 CCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000210202 [0,2,0,0,0,0|1,0,1]=4 8584 B9R0.23 CCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210202 [0,2,0,0,0,0|0,0,0]=2 8585 B9R0.23 CCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210202 [0,2,0,0,0,0|1,0,1]=4 8586 B9R0.23 CCN(C)C(C)CC(C)C 2230a_100000225621_100000731052 [0,2,0,0,0,0|2,0,0]=4 8587 B9R0.23 CCN(C)C(C)CC(C)C 2230a_100000745462_100000210202 [0,2,0,0,0,0|2,0,0]=4 8588 B9R0.23 CCN(C)C(C)CC(C)C 269982a_100000225621_100000731052 [0,2,0,0,0,0|2,0,0]=4 8589 B9R0.23 CCN(C)C(C)CC(C)C 269982a_100000745462_100000204670 [0,2,0,0,0,0|2,0,0]=4 8590 B9R0.23 CNC(=O)C(=O)CC(C)C 1458a_100011218921_100000210624 [0,2,0,0,0,0|1,0,1]=4 8591 B9R0.23 CNC(=O)C(=O)CC(C)O 1458a_100011218921_100011218427 [0,2,0,0,0,0|1,0,1]=4 8592 B9R0.23 CNC(=O)C(C)CN(C)C 1626a_100102657272_200015186601 [0,2,0,0,0,0|2,0,0]=4 8593 B9R0.23 CNC(=O)C(C)CN(C)C 240690a_100102657272_200015186601 [0,2,0,0,0,0|2,0,0]=4 8594 B9R0.23 CNC(=O)C(C)NC(C)C 2230a_100138425928_100000731044 [0,2,0,0,0,0|2,0,0]=4 8595 B9R0.23 CNC(=O)C(C)NC(C)C 34a_100138425928_100000731044 [0,2,0,0,0,0|2,0,0]=4 8596 B9R0.23 CNC(=O)C(C)OC(C)C 34a_100000212225_100000731044 [0,2,0,0,0,0|2,0,0]=4 8597 B9R0.23 CNC(=O)C(C)SC(C)C 62a_100000209862_100000210206 [0,2,0,0,0,0|2,0,0]=4 8598 B9R0.23 CNC(=O)C(C)SC(C)C 62a_100000210206_100000731044 [0,2,0,0,0,0|2,0,0]=4 8599 B9R0.23 CNC(=O)C(F)NC(C)C 2230a_100138425928_100009813575 [0,2,0,0,0,0|2,0,0]=4 8600 B9R0.23 CNC(=O)C(F)NC(C)C 34a_100138425928_100009813575 [0,2,0,0,0,0|2,0,0]=4 8601 B9R0.23 CNC(=O)C(F)OC(C)C 34a_100000212225_100009813575 [0,2,0,0,0,0|2,0,0]=4 8602 B9R0.23 CNC(=O)C(F)SC(C)C 62a_100000210206_100009813575 [0,2,0,0,0,0|2,0,0]=4 8603 B9R0.23 CNC(=O)C(F)SC(C)C 62a_100009813575_100000210206 [0,2,0,0,0,0|2,0,0]=4 8604 B9R0.23 CNC(=O)N(C)CC(C)C 2708a_100102657272_100000747067 [0,2,0,0,0,0|2,0,0]=4 8605 B9R0.23 CNC(=O)N(C)CC(C)C 273464a_100102657272_100000747067 [0,2,0,0,0,0|2,0,0]=4 8606 B9R0.23 CNC(=O)N(C)CC(C)O 2708a_100102657272_100000227577 [0,2,0,0,0,0|2,0,0]=4 8607 B9R0.23 CNC(=O)[C@@H](C)NC(C)C 2230a_100000684985_100000210206 [0,2,0,0,0,0|2,0,0]=4 8608 B9R0.23 CNC(=O)[C@@H](C)NC(C)C 34a_100000684985_100000210206 [0,2,0,0,0,0|2,0,0]=4 8609 B9R0.23 CNC(=O)[C@@H](O)CC(C)C 1626a_100102657272_100012027011 [0,2,0,0,0,0|1,0,0]=3 8610 B9R0.23 CNC(=O)[C@@H](O)CC(C)C 240690a_100102657272_100012027011 [0,2,0,0,0,0|1,0,0]=3 8611 B9R0.23 COC(=O)C(C)CN(C)C 269982a_100102631434_100000698445 [0,2,0,0,0,0|2,0,0]=4 8612 B9R0.23 COC(=O)C(C)NC(C)C 2230a_100138425928_100000211248 [0,2,0,0,0,0|2,0,0]=4 8613 B9R0.23 COC(=O)C(C)NC(C)C 34a_100138425928_100000211248 [0,2,0,0,0,0|2,0,0]=4 8614 B9R0.23 COC(=O)C(C)OC(C)C 34a_100000212225_100000211248 [0,2,0,0,0,0|2,0,0]=4 8615 B9R0.23 COC(=O)C(C)OC(C)C 34a_100011215400_100000210206 [0,2,0,0,0,0|2,0,0]=4 8616 B9R0.23 COC(=O)C(C)SC(C)C 62a_100000210206_100000211248 [0,2,0,0,0,0|2,0,0]=4 8617 B9R0.23 COC(=O)C(C)SC(C)C 62a_100000211248_100000210206 [0,2,0,0,0,0|2,0,0]=4 8618 B9R0.27 CCC(=O)C(C)C(=O)CC 1458a_100000210414_100000742827 [0,2,0,0,0,0|0,0,1]=3 8619 B9R0.27 CCC(=O)C(C)C(=O)CO 1458a_100000210174_100000742827 [0,2,0,0,0,0|1,0,1]=4 8620 B9R0.27 CCC(=O)C(C)C(=O)NC 1458a_100000210414_100000209862 [0,2,0,0,0,0|1,0,1]=4 8621 B9R0.27 CCC(=O)C(C)C(=O)OC 1458a_100000210414_100000211248 [0,2,0,0,0,0|1,0,1]=4 8622 B9R0.27 CCC(=O)C(C)C(=O)OC 1458a_100012027023_100000210202 [0,2,0,0,0,0|1,0,1]=4 8623 B9R0.27 CCC(=O)C(C)N(C)CC 1458a_100011281945_100000210202 [0,2,0,0,0,0|1,0,0]=3 8624 B9R0.27 CCC(=O)C(C)N(C)CC 2230a_100000225621_100000742827 [0,2,0,0,0,0|1,0,0]=3 8625 B9R0.27 CCC(=O)C(C)N(C)CC 269982a_100000225621_100000742827 [0,2,0,0,0,0|1,0,0]=3 8626 B9R0.27 CCC(=O)C(F)C(=O)NC 1458a_100000210414_100009813575 [0,2,0,0,0,0|1,0,1]=4 8627 B9R0.27 CCC(=O)N(C)C(C)CC 11a_100000741768_100000210414 [0,2,0,0,0,0|1,0,0]=3 8628 B9R0.27 CCC(=O)N(C)C(C)CC 1626a_100000741768_100000210414 [0,2,0,0,0,0|1,0,0]=3 8629 B9R0.27 CCC(=O)N(C)C(C)CC 240690a_100000741768_100000210414 [0,2,0,0,0,0|1,0,0]=3 8630 B9R0.27 CCC(=O)N(C)C(C)CC 527a_100000741768_100000210414 [0,2,0,0,0,0|1,0,0]=3 8631 B9R0.27 CCC(=O)N(C)C(C)CO 240690a_100000693034_100000210414 [0,2,0,0,0,0|2,0,0]=4 8632 B9R0.27 CCC(=O)N(C)C(C)CO 527a_100000693034_100000210414 [0,2,0,0,0,0|2,0,0]=4 8633 B9R0.27 CCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210202 [0,2,0,0,0,0|1,0,0]=3 8634 B9R0.27 CCC(C)C(=O)C(=O)NC 1458a_100011218921_100000758301 [0,2,0,0,0,0|1,0,1]=4 8635 B9R0.27 CCC(C)N(C)C(=O)CO 240690a_100000741768_100000210174 [0,2,0,0,0,0|2,0,0]=4 8636 B9R0.27 CCC(C)N(C)C(=O)CO 527a_100000741768_100000210174 [0,2,0,0,0,0|2,0,0]=4 8637 B9R0.27 CCC(C)N(C)C(=O)NC 2708a_100102657272_100000741768 [0,2,0,0,0,0|2,0,0]=4 8638 B9R0.27 CCC(C)N(C)C(=O)NC 273464a_100102657272_100000741768 [0,2,0,0,0,0|2,0,0]=4 8639 B9R0.27 CCN(C)C(C)C(=O)CF 1458a_100011281945_100015361967 [0,2,0,0,0,0|2,0,0]=4 8640 B9R0.27 CCN(C)C(C)C(=O)NC 2230a_100000225621_100000731044 [0,2,0,0,0,0|2,0,0]=4 8641 B9R0.27 CCN(C)C(C)C(=O)NC 240690a_100102657272_100011281945 [0,2,0,0,0,0|2,0,0]=4 8642 B9R0.27 CCN(C)C(C)C(=O)NC 269982a_100000225621_100000209862 [0,2,0,0,0,0|2,0,0]=4 8643 B9R0.27 CCN(C)C(C)C(=O)NC 527a_100102657272_100011281945 [0,2,0,0,0,0|2,0,0]=4 8644 B9R0.27 CCN(C)C(C)C(=O)OC 2230a_100000225621_100000211248 [0,2,0,0,0,0|2,0,0]=4 8645 B9R0.27 CCN(C)C(C)C(=O)OC 2230a_100000725243_100000210202 [0,2,0,0,0,0|2,0,0]=4 8646 B9R0.27 CCN(C)C(C)C(=O)OC 269982a_100000225621_100000211248 [0,2,0,0,0,0|2,0,0]=4 8647 B9R0.27 CCN(C)C(C)C(=O)OC 269982a_100000725243_100000204670 [0,2,0,0,0,0|2,0,0]=4 8648 B9R0.27 CCN(C)C(F)C(=O)NC 2230a_100000225621_100009813575 [0,2,0,0,0,0|2,0,0]=4 8649 B9R0.27 CCN(C)C(F)C(=O)NC 269982a_100000225621_100009813575 [0,2,0,0,0,0|2,0,0]=4 8650 B9R0.27 CNC(=O)[C@@H](N)[C@@H](C)OC 34a_100102634413_200000210301 [0,2,0,0,0,0|2,0,0]=4 8651 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 8652 B9R0.27 CNC(=O)[C@H](O)[C@H](O)CO 240690a_100102657272_100015448053 [0,2,0,0,0,0|2,0,0]=4 8653 B9R0.27 COC(=O)[C@@H](N)[C@@H](C)OC 34a_100000004424_200000210301 [0,2,0,0,0,0|2,0,0]=4 8654 B9R0.27 COC(=O)[C@@H](N)[C@@H](C)O[13CH3] 34a_100000004424_200025704644 [0,2,0,0,0,0|2,0,0]=4 8655 B9R0.27 O=C(CF)[C@H](O)[C@H](O)CO 1458a_100015448053_100015361967 [0,2,0,0,0,0|2,0,0]=4 8656 B9R0.37 CCCC(C)C(CC)OC 34a_200011218412_200000210301 [0,2,0,0,0,0|0,0,2]=4 8657 B9R0.37 CCCC(C)C(CC)OC 7a_200011218412_200000210301 [0,2,0,0,0,0|0,0,2]=4 8658 B9R0.37 CCCC(C)C(CC)O[13CH3] 34a_200011218412_200025704644 [0,2,0,0,0,0|0,0,2]=4 8659 B9R0.37 CCCC(C)C(CC)O[13CH3] 7a_200011218412_200025704644 [0,2,0,0,0,0|0,0,2]=4 8660 B9R0.37 CCCC(C)N(CC)CC 2230a_100000724800_100000766640 [0,2,0,0,0,0|2,0,0]=4 8661 B9R0.37 CCCC(C)N(CC)CC 269956a_100000042499_100000766640 [0,2,0,0,0,0|2,0,0]=4 8662 B9R0.37 CCCC(C)N(CC)CC 269982a_100000724800_100000766640 [0,2,0,0,0,0|2,0,0]=4 8663 B9R0.37 CCCC(C)N(CC)CC 270004a_100000724800_100000211909 [0,2,0,0,0,0|2,0,0]=4 8664 B9R0.60 C=CCC(C)(C)C(=O)CC 1458a_100000705796_100000210202 [0,2,0,0,0,0|0,0,2]=4 8665 B9R0.60 C=CCC(F)(F)C(=O)CC 1458a_100000062105_100000210202 [0,2,0,0,0,0|0,0,2]=4 8666 B9R0.60 CCCC(C)(C)C(=O)CC 1458a_100011215034_100000210202 [0,2,0,0,0,0|0,0,0]=2 8667 B9R0.60 CCCC(C)(C)C(=O)CF 1458a_100011215034_100015361967 [0,2,0,0,0,0|1,0,0]=3 8668 B9R0.60 CCCC(C)(C)C(=O)NC 11a_106832991635_100011215034 [0,2,0,0,0,0|1,0,0]=3 8669 B9R0.60 CCCC(C)(C)C(=O)NC 1626a_100102657272_100011215034 [0,2,0,0,0,0|1,0,0]=3 8670 B9R0.60 CCCC(C)(C)C(=O)NC 240690a_100102657272_100011215034 [0,2,0,0,0,0|1,0,0]=3 8671 B9R0.60 CCCC(C)(C)C(=O)NC 527a_100102657272_100011215034 [0,2,0,0,0,0|1,0,0]=3 8672 B9R0.60 CCNC(C)(C)C(=O)NC 2230a_100015525214_100000732697 [0,2,0,0,0,0|2,0,0]=4 8673 B9R0.60 CCNC(C)(C)C(=O)OC 2230a_100015525214_100000689032 [0,2,0,0,0,0|2,0,0]=4 8674 B9R0.60 CCNC(C)(F)C(=O)OC 2230a_100015525214_200009867631 [0,2,0,0,0,0|2,0,0]=4 8675 B9R0.60 CCOC(C)(C)C(=O)CC 1458a_100011458965_100000210202 [0,2,0,0,0,0|1,0,0]=3 8676 B9R0.60 CCOC(C)(C)C(=O)CF 1458a_100011458965_100015361967 [0,2,0,0,0,0|2,0,0]=4 8677 B9R0.60 CCOC(C)(C)C(=O)NC 11a_106832991635_100011458965 [0,2,0,0,0,0|2,0,0]=4 8678 B9R0.60 CCOC(C)(C)C(=O)NC 1626a_100102657272_100011458965 [0,2,0,0,0,0|2,0,0]=4 8679 B9R0.60 CCOC(C)(C)C(=O)NC 240690a_100102657272_100011458965 [0,2,0,0,0,0|2,0,0]=4 8680 B9R0.60 CCOC(C)(C)C(=O)NC 34a_100121572206_100000732697 [0,2,0,0,0,0|2,0,0]=4 8681 B9R0.60 CCOC(C)(C)C(=O)NC 527a_100102657272_100011458965 [0,2,0,0,0,0|2,0,0]=4 8682 B9R0.60 CCOC(C)(C)C(=O)OC 34a_100011217581_100000210202 [0,2,0,0,0,0|2,0,0]=4 8683 B9R0.60 CCOC(C)(C)C(=O)OC 7a_100011217581_100000210202 [0,2,0,0,0,0|2,0,0]=4 8684 B9R0.60 CCOC(C)(F)C(=O)OC 34a_100121572206_200009867631 [0,2,0,0,0,0|2,0,0]=4 8685 B9R0.60 CCOC(F)(F)C(=O)OC 34a_100121572206_100000211177 [0,2,0,0,0,0|2,0,0]=4 8686 B9R0.60 CCSC(C)(C)C(=O)NC 62a_100000210202_100000732697 [0,2,0,0,0,0|2,0,0]=4 8687 B9R0.60 CCSC(C)(C)C(=O)NC 62a_100000732697_100000210202 [0,2,0,0,0,0|2,0,0]=4 8688 B9R0.60 CCSC(C)(C)C(=O)OC 62a_100000210202_100000689032 [0,2,0,0,0,0|2,0,0]=4 8689 B9R0.60 CCSC(C)(C)C(=O)OC 62a_100000689032_100000210202 [0,2,0,0,0,0|2,0,0]=4 8690 B9R0.60 CCSC(C)(F)C(=O)OC 62a_100000210202_200009867631 [0,2,0,0,0,0|2,0,0]=4 8691 B9R0.60 CCSC(C)(F)C(=O)OC 62a_200009867631_100000210202 [0,2,0,0,0,0|2,0,0]=4 8692 B9R0.60 CCSC(F)(F)C(=O)OC 62a_100000210202_100000211177 [0,2,0,0,0,0|2,0,0]=4 8693 B9R0.60 CCSC(F)(F)C(=O)OC 62a_100000211177_100000210202 [0,2,0,0,0,0|2,0,0]=4 8694 B9R0.60 CNC(=O)C(C)(C)COC 34a_100138415774_100000702813 [0,2,0,0,0,0|2,0,0]=4 8695 B9R0.60 CNC(=O)C(C)(C)CSC 62a_100000702813_200000210301 [0,2,0,0,0,0|2,0,0]=4 8696 B9R0.60 CNC(=O)C(C)(C)CSC 62a_200000210301_100000702813 [0,2,0,0,0,0|2,0,0]=4 8697 B9R0.60 CNC(=O)C(C)(C)CS[13CH3] 62a_100000702813_200025704644 [0,2,0,0,0,0|2,0,0]=4 8698 B9R0.60 CNC(=O)C(C)(C)CS[13CH3] 62a_200025704644_100000702813 [0,2,0,0,0,0|2,0,0]=4 8699 B9R0.60 CNCC(C)(C)C(=O)NC 34a_100102657272_100000702813 [0,2,0,0,0,0|2,0,0]=4 8700 B9R0.60 CNCC(F)(F)C(=O)OC 34a_100102657272_100010295740 [0,2,0,0,0,0|2,0,0]=4 8701 B9R0.60 COC(=O)C(C)(C)CO[13CH3] 34a_100000709632_200025704644 [0,2,0,0,0,0|2,0,0]=4 8702 B9R0.60 COC(=O)C(C)(C)CO[13CH3] 7a_100000709632_200025704644 [0,2,0,0,0,0|2,0,0]=4 8703 B9R0.60 COC(=O)C(C)(C)CSC 62a_100000684552_200000210301 [0,2,0,0,0,0|2,0,0]=4 8704 B9R0.60 COC(=O)C(C)(C)CSC 62a_200000210301_100000684552 [0,2,0,0,0,0|2,0,0]=4 8705 B9R0.60 COC(=O)C(C)(C)CS[13CH3] 62a_100000684552_200025704644 [0,2,0,0,0,0|2,0,0]=4 8706 B9R0.60 COC(=O)C(C)(C)CS[13CH3] 62a_200025704644_100000684552 [0,2,0,0,0,0|2,0,0]=4 8707 B9R0.60 COC(=O)C(F)(F)CSC 62a_100010295740_200000210301 [0,2,0,0,0,0|2,0,0]=4 8708 B9R0.60 COC(=O)C(F)(F)CSC 62a_200000210301_100010295740 [0,2,0,0,0,0|2,0,0]=4 8709 B9R0.60 COC(=O)C(F)(F)CS[13CH3] 62a_100010295740_200025704644 [0,2,0,0,0,0|2,0,0]=4 8710 B9R0.60 COC(=O)C(F)(F)CS[13CH3] 62a_200025704644_100010295740 [0,2,0,0,0,0|2,0,0]=4 8711 B9R0.60 COCC(C)(C)C(=O)OC 34a_100000709632_200000210301 [0,2,0,0,0,0|2,0,0]=4 8712 B9R0.60 COCC(C)(C)C(=O)OC 7a_100000709632_200000210301 [0,2,0,0,0,0|2,0,0]=4 8713 B9R0.60 COCC(F)(F)C(=O)OC 34a_100138415774_100010295740 [0,2,0,0,0,0|2,0,0]=4 8714 B9R0.1 C#CC(=O)CCCC(=O)C 1458a_100000211873_100011215641 [0,2,0,0,0,0|0,0,2]=4 8715 B9R0.1 C#CC(=O)CCCC(C)C 1458a_100000211873_100011214892 [0,2,0,0,0,0|0,0,2]=4 8716 B9R0.1 C#CC(=O)CCCC(C)O 1458a_100000211873_200000718107 [0,2,0,0,0,0|0,0,2]=4 8717 B9R0.1 C#CC(=O)CCCN(C)C 1458a_100000211873_100000695564 [0,2,0,0,0,0|0,0,2]=4 8718 B9R0.1 C#CC(=O)CCOC(C)C 1458a_100000211873_100000211751 [0,2,0,0,0,0|0,0,2]=4 8719 B9R0.1 C#CC(=O)CCSC(C)C 1458a_100000211873_100000730970 [0,2,0,0,0,0|0,0,2]=4 8720 B9R0.1 C=C(C)CNCC(=O)NC 2230a_100000693194_100000748629 [0,2,0,0,0,0|1,0,1]=4 8721 B9R0.1 C=C(C)CNNC(=O)CC 22a_100000729518_100000210414 [0,2,0,0,0,0|1,0,1]=4 8722 B9R0.1 C=C(C)COCC(=O)CC 34a_100000725409_100000748629 [0,2,0,0,0,0|0,0,1]=3 8723 B9R0.1 C=C(C)COCC(=O)NC 34a_100000210245_100000183359 [0,2,0,0,0,0|1,0,1]=4 8724 B9R0.1 C=C(C)COCC(=O)NC 34a_100000750040_100000748629 [0,2,0,0,0,0|1,0,1]=4 8725 B9R0.1 C=C(C)COCC(=O)OC 34a_100000210245_100000747449 [0,2,0,0,0,0|1,0,1]=4 8726 B9R0.1 C=C(C)CSCC(=O)CC 62a_100000747405_100000211660 [0,2,0,0,0,0|0,0,1]=3 8727 B9R0.1 C=C(C)CSCC(=O)CC 62a_100000748629_100000747405 [0,2,0,0,0,0|0,0,1]=3 8728 B9R0.1 C=C(C)CSCC(=O)NC 62a_100000183359_100000211660 [0,2,0,0,0,0|1,0,1]=4 8729 B9R0.1 C=C(C)CSCC(=O)NC 62a_100000748629_100000183359 [0,2,0,0,0,0|1,0,1]=4 8730 B9R0.1 C=C(C)CSCC(=O)OC 62a_100000747449_100000211660 [0,2,0,0,0,0|1,0,1]=4 8731 B9R0.1 C=C(C)CSCC(=O)OC 62a_100000748629_100000747449 [0,2,0,0,0,0|1,0,1]=4 8732 B9R0.1 C=C(F)COCC(=O)CC 34a_100000725409_100009893438 [0,2,0,0,0,0|0,0,2]=4 8733 B9R0.1 C=C(F)CSCC(=O)CC 62a_100000042424_100000747405 [0,2,0,0,0,0|0,0,2]=4 8734 B9R0.1 C=C(F)CSCC(=O)CC 62a_100000747405_100000042424 [0,2,0,0,0,0|0,0,2]=4 8735 B9R0.1 C=CC(=O)CCCC(=O)C 1458a_100000185746_100011215641 [0,2,0,0,0,0|0,0,2]=4 8736 B9R0.1 C=CC(=O)CCCC(C)C 1458a_100000185746_100011214892 [0,2,0,0,0,0|0,0,2]=4 8737 B9R0.1 C=CC(=O)CCCC(C)O 1458a_100000185746_200000718107 [0,2,0,0,0,0|0,0,2]=4 8738 B9R0.1 C=CC(=O)CCCN(C)C 1458a_100000185746_100000695564 [0,2,0,0,0,0|0,0,2]=4 8739 B9R0.1 C=CC(=O)CCOC(C)C 1458a_100000185746_100000211751 [0,2,0,0,0,0|0,0,2]=4 8740 B9R0.1 C=CC(=O)CCSC(C)C 1458a_100000185746_100000730970 [0,2,0,0,0,0|0,0,2]=4 8741 B9R0.1 C=CC(=O)NCCC(C)C 1626a_100000210545_100000185746 [0,2,0,0,0,0|0,0,2]=4 8742 B9R0.1 C=CC(=O)NCCC(C)C 240690a_100000210545_200121576911 [0,2,0,0,0,0|0,0,2]=4 8743 B9R0.1 C=CC(=O)NCCC(C)O 240690a_200000755665_200121576911 [0,2,0,0,0,0|0,0,2]=4 8744 B9R0.1 CC(=CCCC(=O)CO)C 1458a_100000210174_100011217483 [0,2,0,0,0,0|1,0,1]=4 8745 B9R0.1 CC(=O)CCCC(=O)CO 1458a_100000210174_100011215641 [0,2,0,0,0,0|1,0,0]=3 8746 B9R0.1 CC(=O)NCCC(=O)CF 1458a_100000183196_100015361967 [0,2,0,0,0,0|1,0,1]=4 8747 B9R0.1 CC(=O)NCCC(=O)CO 1458a_100000210174_100000189650 [0,2,0,0,0,0|1,0,1]=4 8748 B9R0.1 CC(=O)OCCC(=O)CO 1458a_100000210174_100009814007 [0,2,0,0,0,0|1,0,1]=4 8749 B9R0.1 CC(=O)SCCC(=O)CF 1458a_100000048949_100015361967 [0,2,0,0,0,0|1,0,1]=4 8750 B9R0.1 CC(C)/C=C/CC(=O)CF 1458a_100016292215_100015361967 [0,2,0,0,0,0|1,0,1]=4 8751 B9R0.1 CC(C)CCCC(=O)CF 1458a_100011216857_100015361967 [0,2,0,0,0,0|1,0,0]=3 8752 B9R0.1 CC(C)CCCC(=O)CO 1458a_100000210174_100011214892 [0,2,0,0,0,0|1,0,0]=3 8753 B9R0.1 CC(C)CCNC(=O)CO 240690a_100000210545_100000210174 [0,2,0,0,0,0|1,0,0]=3 8754 B9R0.1 CC(C)CCNC(=O)CO 527a_100000210545_100000210174 [0,2,0,0,0,0|1,0,0]=3 8755 B9R0.1 CC(C)CNNC(=O)CO 22a_100000696102_100000210174 [0,2,0,0,0,0|2,0,0]=4 8756 B9R0.1 CC(C)COCC(=O)CF 1458a_100011223364_100015361967 [0,2,0,0,0,0|1,0,0]=3 8757 B9R0.1 CC(C)OCCC(=O)CO 1458a_100000210174_100000211751 [0,2,0,0,0,0|1,0,0]=3 8758 B9R0.1 CC(C)SCCC(=O)CO 1458a_100000210174_100000730970 [0,2,0,0,0,0|1,0,0]=3 8759 B9R0.1 CC(O)CCCC(=O)CO 1458a_100000210174_200000718107 [0,2,0,0,0,0|1,0,0]=3 8760 B9R0.1 CC(O)CCNC(=O)CO 240690a_200000755665_100000210174 [0,2,0,0,0,0|1,0,0]=3 8761 B9R0.1 CC(O)CCNC(=O)CO 527a_200000755665_100000210174 [0,2,0,0,0,0|1,0,0]=3 8762 B9R0.1 CC(O)CNNC(=O)CO 22a_200000730056_100000210174 [0,2,0,0,0,0|2,0,0]=4 8763 B9R0.1 CCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210202 [0,2,0,0,0,0|0,0,1]=3 8764 B9R0.1 CCC(=O)C=CCN(C)C 1458a_100000754359_100000210202 [0,2,0,0,0,0|0,0,2]=4 8765 B9R0.1 CCC(=O)CCC=C(C)C 1458a_100000210414_100011217483 [0,2,0,0,0,0|0,0,1]=3 8766 B9R0.1 CCC(=O)CCC=C(F)F 1458a_100000210414_200009816681 [0,2,0,0,0,0|0,0,2]=4 8767 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [0,2,0,0,0,0|0,0,0]=2 8768 B9R0.1 CCC(=O)CCCC(=O)N 1458a_100000210414_100102525003 [0,2,0,0,0,0|0,0,1]=3 8769 B9R0.1 CCC(=O)CCCC(C)C 1458a_100000210414_100011214892 [0,2,0,0,0,0|0,0,0]=2 8770 B9R0.1 CCC(=O)CCCC(C)C 1458a_100011216857_100000210202 [0,2,0,0,0,0|0,0,0]=2 8771 B9R0.1 CCC(=O)CCCC(C)O 1458a_100000210414_200000718107 [0,2,0,0,0,0|0,0,0]=2 8772 B9R0.1 CCC(=O)CCCN(C)C 1458a_100000210414_100000695564 [0,2,0,0,0,0|0,0,0]=2 8773 B9R0.1 CCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210202 [0,2,0,0,0,0|1,0,0]=3 8774 B9R0.1 CCC(=O)CCN=C(N)N 1458a_100000033030_100000210202 [0,2,0,0,0,0|1,0,1]=4 8775 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000183196_100000210202 [0,2,0,0,0,0|0,0,1]=3 8776 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000210414_100000189650 [0,2,0,0,0,0|0,0,1]=3 8777 B9R0.1 CCC(=O)CCNC(=O)N 1458a_100000181464_100000210202 [0,2,0,0,0,0|1,0,1]=4 8778 B9R0.1 CCC(=O)CCNC(=O)N 1458a_100000210414_200000034859 [0,2,0,0,0,0|1,0,1]=4 8779 B9R0.1 CCC(=O)CCOC(=O)C 1458a_100000210414_100009814007 [0,2,0,0,0,0|0,0,1]=3 8780 B9R0.1 CCC(=O)CCOC(=O)N 1458a_100000210414_200011214921 [0,2,0,0,0,0|1,0,1]=4 8781 B9R0.1 CCC(=O)CCOC(C)C 1458a_100000210414_100000211751 [0,2,0,0,0,0|0,0,0]=2 8782 B9R0.1 CCC(=O)CCSC(=O)C 1458a_100000048949_100000210202 [0,2,0,0,0,0|0,0,1]=3 8783 B9R0.1 CCC(=O)CCSC(C)C 1458a_100000210414_100000730970 [0,2,0,0,0,0|0,0,0]=2 8784 B9R0.1 CCC(=O)CNCC(=O)O 269956a_100016091260_100000747405 [0,2,0,0,0,0|1,0,1]=4 8785 B9R0.1 CCC(=O)COCC(=O)N 1458a_100011219004_100000210202 [0,2,0,0,0,0|1,0,1]=4 8786 B9R0.1 CCC(=O)COCC(=O)N 34a_100000725409_100000187820 [0,2,0,0,0,0|1,0,1]=4 8787 B9R0.1 CCC(=O)COCC(=O)[O-] 34a_100000725409_100020667443 [0,2,0,0,0,0|1,0,1]=4 8788 B9R0.1 CCC(=O)COCC(C)C 1458a_100011223364_100000210202 [0,2,0,0,0,0|0,0,0]=2 8789 B9R0.1 CCC(=O)COCC(C)C 34a_100000725409_100000210624 [0,2,0,0,0,0|0,0,0]=2 8790 B9R0.1 CCC(=O)COCC(C)O 34a_100000725409_100011218427 [0,2,0,0,0,0|0,0,0]=2 8791 B9R0.1 CCC(=O)COCC(F)F 34a_100000725409_100011934356 [0,2,0,0,0,0|1,0,0]=3 8792 B9R0.1 CCC(=O)COC[C@@H](C)O 34a_100000725409_100009817552 [0,2,0,0,0,0|0,0,0]=2 8793 B9R0.1 CCC(=O)COC[N+](=O)[O-] 34a_100000725409_100000761209 [0,2,0,0,0,0|2,0,0]=4 8794 B9R0.1 CCC(=O)CSCC(=O)N 62a_100000747405_100000747473 [0,2,0,0,0,0|1,0,1]=4 8795 B9R0.1 CCC(=O)CSCC(=O)N 62a_100000747473_100000747405 [0,2,0,0,0,0|1,0,1]=4 8796 B9R0.1 CCC(=O)CSCC(=O)[O-] 62a_100000747405_100020667443 [0,2,0,0,0,0|1,0,1]=4 8797 B9R0.1 CCC(=O)CSCC(=O)[O-] 62a_100020667443_100000747405 [0,2,0,0,0,0|1,0,1]=4 8798 B9R0.1 CCC(=O)CSCC(C)C 62a_100000210624_100000747405 [0,2,0,0,0,0|0,0,0]=2 8799 B9R0.1 CCC(=O)CSCC(C)C 62a_100000747405_100000210760 [0,2,0,0,0,0|0,0,0]=2 8800 B9R0.1 CCC(=O)CSCC(C)O 62a_100000747405_100011218427 [0,2,0,0,0,0|0,0,0]=2 8801 B9R0.1 CCC(=O)CSCC(C)O 62a_100011218427_100000747405 [0,2,0,0,0,0|0,0,0]=2 8802 B9R0.1 CCC(=O)CSCC(F)F 62a_100000747405_100011934356 [0,2,0,0,0,0|1,0,0]=3 8803 B9R0.1 CCC(=O)CSCC(F)F 62a_100011934356_100000747405 [0,2,0,0,0,0|1,0,0]=3 8804 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100000747405_100009817552 [0,2,0,0,0,0|0,0,0]=2 8805 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747405 [0,2,0,0,0,0|0,0,0]=2 8806 B9R0.1 CCC(=O)CSC[N+](=O)[O-] 62a_100000747405_100000761209 [0,2,0,0,0,0|2,0,0]=4 8807 B9R0.1 CCC(=O)NCC=C(C)C 11a_100000718196_100000210414 [0,2,0,0,0,0|0,0,2]=4 8808 B9R0.1 CCC(=O)NCC=C(C)C 1626a_100000718196_100000210414 [0,2,0,0,0,0|0,0,2]=4 8809 B9R0.1 CCC(=O)NCC=C(C)C 527a_100000718196_100000210414 [0,2,0,0,0,0|0,0,2]=4 8810 B9R0.1 CCC(=O)NCCC(=O)N 11a_100000740010_100000210414 [0,2,0,0,0,0|1,0,1]=4 8811 B9R0.1 CCC(=O)NCCC(=O)N 240690a_100000740010_100000210414 [0,2,0,0,0,0|1,0,1]=4 8812 B9R0.1 CCC(=O)NCCC(=O)N 527a_100000740010_100000210414 [0,2,0,0,0,0|1,0,1]=4 8813 B9R0.1 CCC(=O)NCCC(C)C 11a_100000210545_100000210414 [0,2,0,0,0,0|0,0,0]=2 8814 B9R0.1 CCC(=O)NCCC(C)C 1626a_100000210545_100000210414 [0,2,0,0,0,0|0,0,0]=2 8815 B9R0.1 CCC(=O)NCCC(C)C 240690a_100000210545_100000210414 [0,2,0,0,0,0|0,0,0]=2 8816 B9R0.1 CCC(=O)NCCC(C)C 527a_100000210545_100000210414 [0,2,0,0,0,0|0,0,0]=2 8817 B9R0.1 CCC(=O)NCCC(C)O 240690a_200000755665_100000210414 [0,2,0,0,0,0|0,0,0]=2 8818 B9R0.1 CCC(=O)NCCC(C)O 527a_200000755665_100000210414 [0,2,0,0,0,0|0,0,0]=2 8819 B9R0.1 CCC(=O)NCCN(C)C 240690a_100000210585_100000210414 [0,2,0,0,0,0|1,0,0]=3 8820 B9R0.1 CCC(=O)NCCN(C)C 527a_100000210585_100000210414 [0,2,0,0,0,0|1,0,0]=3 8821 B9R0.1 CCC(=O)NN=CC(C)C 4a_100000183195_100000210432 [0,2,0,0,0,0|1,0,1]=4 8822 B9R0.1 CCC(=O)NNCC(C)C 22a_100000696102_100000210414 [0,2,0,0,0,0|1,0,0]=3 8823 B9R0.1 CCC(=O)NNCC(C)O 22a_200000730056_100000210414 [0,2,0,0,0,0|1,0,0]=3 8824 B9R0.1 CCC(C)CCNC(C)C 2230a_100020591266_100000210206 [0,2,0,0,0,0|1,0,1]=4 8825 B9R0.1 CCC(C)CCOC(C)C 7a_100011215188_100000210206 [0,2,0,0,0,0|1,0,1]=4 8826 B9R0.1 CCC(C)CNCC(C)C 2230a_100000210953_100000748023 [0,2,0,0,0,0|1,0,1]=4 8827 B9R0.1 CCC(C)CNCC(C)C 2230a_100020588543_100000210760 [0,2,0,0,0,0|1,0,1]=4 8828 B9R0.1 CCC(C)CNCC(C)C 270004a_100000210953_100000243153 [0,2,0,0,0,0|1,0,1]=4 8829 B9R0.1 CCC(C)CNCC(C)C 270004a_100020588543_100000210432 [0,2,0,0,0,0|1,0,1]=4 8830 B9R0.1 CCC(C)CNCC(C)C 34a_100000210953_100000748023 [0,2,0,0,0,0|1,0,1]=4 8831 B9R0.1 CCC(C)CNCC(C)O 2230a_100000210904_100000748023 [0,2,0,0,0,0|1,0,1]=4 8832 B9R0.1 CCC(C)CNCC(C)O 2230a_100020588543_100011218427 [0,2,0,0,0,0|1,0,1]=4 8833 B9R0.1 CCC(C)CNCC(C)O 270004a_100000210904_100000243153 [0,2,0,0,0,0|1,0,1]=4 8834 B9R0.1 CCC(C)CNCC(C)O 34a_100000210904_100000748023 [0,2,0,0,0,0|1,0,1]=4 8835 B9R0.1 CCC(C)CNC[C@@H](C)O 2230a_100020588543_100009817552 [0,2,0,0,0,0|1,0,1]=4 8836 B9R0.1 CCC(C)COCC(C)Br 34a_100012180447_100000748023 [0,2,0,0,0,0|1,0,1]=4 8837 B9R0.1 CCC(C)COCC(C)C 34a_100000210257_100000748023 [0,2,0,0,0,0|1,0,1]=4 8838 B9R0.1 CCC(C)COCC(C)F 34a_100015925927_100000748023 [0,2,0,0,0,0|1,0,1]=4 8839 B9R0.1 CCC(C)COC[C@@H](C)Cl 34a_100016084084_100000748023 [0,2,0,0,0,0|1,0,1]=4 8840 B9R0.1 CCC(C)COC[C@@H](C)N 34a_100000737577_100000748023 [0,2,0,0,0,0|1,0,1]=4 8841 B9R0.1 CCC(C)CSCC(C)C 62a_100000210624_100000748023 [0,2,0,0,0,0|1,0,1]=4 8842 B9R0.1 CCC(C)CSCC(C)C 62a_100000748023_100000210760 [0,2,0,0,0,0|1,0,1]=4 8843 B9R0.1 CCC(C)CSCC(C)O 62a_100000748023_100011218427 [0,2,0,0,0,0|1,0,1]=4 8844 B9R0.1 CCC(C)CSCC(C)O 62a_100011218427_100000748023 [0,2,0,0,0,0|1,0,1]=4 8845 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100000748023_100009817552 [0,2,0,0,0,0|1,0,1]=4 8846 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100009817552_100000748023 [0,2,0,0,0,0|1,0,1]=4 8847 B9R0.1 CCC(C)NCCC(C)C 2230a_100000209981_100000210312 [0,2,0,0,0,0|1,0,1]=4 8848 B9R0.1 CCC(C)NCCC(C)C 269862a_100000209981_100000185833 [0,2,0,0,0,0|1,0,1]=4 8849 B9R0.1 CCC(C)NCCC(C)O 2230a_100000209981_100012276601 [0,2,0,0,0,0|1,0,1]=4 8850 B9R0.1 CCC(C)NCCC(C)O 2230a_200000755665_100000758301 [0,2,0,0,0,0|1,0,1]=4 8851 B9R0.1 CCC(C)OCCC(C)Br 34a_100009893172_100011215416 [0,2,0,0,0,0|1,0,1]=4 8852 B9R0.1 CCC(C)OCCC(C)C 34a_100000210254_100011215416 [0,2,0,0,0,0|1,0,1]=4 8853 B9R0.1 CCC(C)OCCC(C)C 7a_100000210228_100000210626 [0,2,0,0,0,0|1,0,1]=4 8854 B9R0.1 CCC(C)OCCC(C)C 7a_100000210254_100000758301 [0,2,0,0,0,0|1,0,1]=4 8855 B9R0.1 CCC(C)OCCC(C)O 7a_100000210228_100012276601 [0,2,0,0,0,0|1,0,1]=4 8856 B9R0.1 CCC(C)OCC[C@@H](C)N 34a_100000706166_100011215416 [0,2,0,0,0,0|1,0,1]=4 8857 B9R0.1 CCC(C)SCCC(C)C 62a_100000210312_100000758301 [0,2,0,0,0,0|1,0,1]=4 8858 B9R0.1 CCC(C)SCCC(C)C 62a_100000758301_100000210312 [0,2,0,0,0,0|1,0,1]=4 8859 B9R0.1 CCC(C)SCCC(C)O 62a_100000758301_100012276601 [0,2,0,0,0,0|1,0,1]=4 8860 B9R0.1 CCC(C)SCCC(C)O 62a_100012276601_100000758301 [0,2,0,0,0,0|1,0,1]=4 8861 B9R0.1 CCC(O)CNCC(C)C 2230a_100000210953_100011218378 [0,2,0,0,0,0|0,0,2]=4 8862 B9R0.1 CCC(O)CNCC(C)C 2230a_100011218483_100000210760 [0,2,0,0,0,0|0,0,2]=4 8863 B9R0.1 CCC(O)CNCC(C)C 270004a_100011218483_100000210432 [0,2,0,0,0,0|0,0,2]=4 8864 B9R0.1 CCC(O)CNCC(C)C 34a_100000210953_100011218378 [0,2,0,0,0,0|0,0,2]=4 8865 B9R0.1 CCC(O)CNCC(C)O 2230a_100000210904_100011218378 [0,2,0,0,0,0|0,0,2]=4 8866 B9R0.1 CCC(O)CNCC(C)O 2230a_100011218483_100011218427 [0,2,0,0,0,0|0,0,2]=4 8867 B9R0.1 CCC(O)CNCC(C)O 34a_100000210904_100011218378 [0,2,0,0,0,0|0,0,2]=4 8868 B9R0.1 CCC(O)CNC[C@@H](C)O 2230a_100011218483_100009817552 [0,2,0,0,0,0|0,0,2]=4 8869 B9R0.1 CCC(O)COCC(C)Br 34a_100012180447_100011218378 [0,2,0,0,0,0|0,0,2]=4 8870 B9R0.1 CCC(O)COCC(C)C 34a_100000210257_100011218378 [0,2,0,0,0,0|0,0,2]=4 8871 B9R0.1 CCC(O)COCC(C)F 34a_100015925927_100011218378 [0,2,0,0,0,0|0,0,2]=4 8872 B9R0.1 CCC(O)COC[C@@H](C)Cl 34a_100016084084_100011218378 [0,2,0,0,0,0|0,0,2]=4 8873 B9R0.1 CCC(O)COC[C@@H](C)N 34a_100000737577_100011218378 [0,2,0,0,0,0|0,0,2]=4 8874 B9R0.1 CCC(O)CSCC(C)C 62a_100000210624_100011218378 [0,2,0,0,0,0|0,0,2]=4 8875 B9R0.1 CCC(O)CSCC(C)C 62a_100011218378_100000210760 [0,2,0,0,0,0|0,0,2]=4 8876 B9R0.1 CCC(O)CSCC(C)O 62a_100011218378_100011218427 [0,2,0,0,0,0|0,0,2]=4 8877 B9R0.1 CCC(O)CSCC(C)O 62a_100011218427_100011218378 [0,2,0,0,0,0|0,0,2]=4 8878 B9R0.1 CCC(O)CSC[C@@H](C)O 62a_100009817552_100011218378 [0,2,0,0,0,0|0,0,2]=4 8879 B9R0.1 CCC(O)CSC[C@@H](C)O 62a_100011218378_100009817552 [0,2,0,0,0,0|0,0,2]=4 8880 B9R0.1 CCN(C)CCCC(=O)C 1458a_100000070787_100015186262 [0,2,0,0,0,0|2,0,0]=4 8881 B9R0.1 CCN(C)CCCC(=O)C 269982a_100000225621_100011215641 [0,2,0,0,0,0|2,0,0]=4 8882 B9R0.1 CCN(C)CCCC(C)C 2230a_100000225621_100011214892 [0,2,0,0,0,0|2,0,0]=4 8883 B9R0.1 CCN(C)CCCC(C)C 269982a_100000225621_100011214892 [0,2,0,0,0,0|2,0,0]=4 8884 B9R0.1 CCN(C)CCCC(C)O 2230a_100000225621_200000718107 [0,2,0,0,0,0|2,0,0]=4 8885 B9R0.1 CCN(C)CCCC(C)O 269982a_100000225621_200000718107 [0,2,0,0,0,0|2,0,0]=4 8886 B9R0.1 CCN(C)CCCN(C)C 2230a_100102631434_100015186262 [0,2,0,0,0,0|2,0,0]=4 8887 B9R0.1 CCN(C)CCCN(C)C 269982a_100000225621_100000757444 [0,2,0,0,0,0|2,0,0]=4 8888 B9R0.1 CCN(C)CCCN(C)C 269982a_100000225831_100000204670 [0,2,0,0,0,0|2,0,0]=4 8889 B9R0.1 CCN(C)CCCN(C)C 269982a_100000225837_200000210301 [0,2,0,0,0,0|2,0,0]=4 8890 B9R0.1 CCN(C)CCCN(C)C 269982a_100102631434_100015186262 [0,2,0,0,0,0|2,0,0]=4 8891 B9R0.1 CCN(C)CCOC(C)C 2230a_100000225621_100000211751 [0,2,0,0,0,0|2,0,0]=4 8892 B9R0.1 CCN(C)CCOC(C)C 269982a_100000225621_100000211751 [0,2,0,0,0,0|2,0,0]=4 8893 B9R0.1 CCN(C)CCSC(C)C 2230a_100000225621_100000730970 [0,2,0,0,0,0|2,0,0]=4 8894 B9R0.1 CCN(C)CCSC(C)C 269982a_100000225621_100000730970 [0,2,0,0,0,0|2,0,0]=4 8895 B9R0.1 CCN([13CH3])CCCN(C)C 269982a_100000225837_200025704644 [0,2,0,0,0,0|2,0,0]=4 8896 B9R0.1 CC[C@H](C)CNCC(C)C 2230a_100000210953_100009816398 [0,2,0,0,0,0|1,0,1]=4 8897 B9R0.1 CC[C@H](C)CNCC(C)C 34a_100000210953_100009816398 [0,2,0,0,0,0|1,0,1]=4 8898 B9R0.1 CC[C@H](C)CNCC(C)O 2230a_100000210904_100009816398 [0,2,0,0,0,0|1,0,1]=4 8899 B9R0.1 CC[C@H](C)CNCC(C)O 34a_100000210904_100009816398 [0,2,0,0,0,0|1,0,1]=4 8900 B9R0.1 CC[C@H](C)COCC(C)Br 34a_100012180447_100009816398 [0,2,0,0,0,0|1,0,1]=4 8901 B9R0.1 CC[C@H](C)COCC(C)C 34a_100000210257_100009816398 [0,2,0,0,0,0|1,0,1]=4 8902 B9R0.1 CC[C@H](C)COCC(C)C 7a_100009816381_100000210760 [0,2,0,0,0,0|1,0,1]=4 8903 B9R0.1 CC[C@H](C)COCC(C)F 34a_100015925927_100009816398 [0,2,0,0,0,0|1,0,1]=4 8904 B9R0.1 CC[C@H](C)COCC(C)O 7a_100009816381_100011218427 [0,2,0,0,0,0|1,0,1]=4 8905 B9R0.1 CC[C@H](C)COC[C@@H](C)Cl 34a_100016084084_100009816398 [0,2,0,0,0,0|1,0,1]=4 8906 B9R0.1 CC[C@H](C)COC[C@@H](C)N 34a_100000737577_100009816398 [0,2,0,0,0,0|1,0,1]=4 8907 B9R0.1 CC[C@H](C)COC[C@@H](C)O 7a_100009816381_100009817552 [0,2,0,0,0,0|1,0,1]=4 8908 B9R0.1 CC[C@H](C)CSCC(C)C 62a_100000210624_100009816398 [0,2,0,0,0,0|1,0,1]=4 8909 B9R0.1 CC[C@H](C)CSCC(C)C 62a_100009816398_100000210760 [0,2,0,0,0,0|1,0,1]=4 8910 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100009816398_100011218427 [0,2,0,0,0,0|1,0,1]=4 8911 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100011218427_100009816398 [0,2,0,0,0,0|1,0,1]=4 8912 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009816398_100009817552 [0,2,0,0,0,0|1,0,1]=4 8913 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009817552_100009816398 [0,2,0,0,0,0|1,0,1]=4 8914 B9R0.1 CN(C)CCCC(=O)CO 1458a_100000210174_100000695564 [0,2,0,0,0,0|1,0,0]=3 8915 B9R0.1 CN(C)CCNC(=O)CO 240690a_100000210585_100000210174 [0,2,0,0,0,0|2,0,0]=4 8916 B9R0.1 CN(C)CCNC(=O)CO 527a_100000210585_100000210174 [0,2,0,0,0,0|2,0,0]=4 8917 B9R0.1 CNC(=O)C/C=C/C(C)C 11a_106832991635_100016292215 [0,2,0,0,0,0|1,0,1]=4 8918 B9R0.1 CNC(=O)C/C=C/C(C)C 1626a_100102657272_100016292215 [0,2,0,0,0,0|1,0,1]=4 8919 B9R0.1 CNC(=O)C/C=C/C(C)C 240690a_100102657272_100016292215 [0,2,0,0,0,0|1,0,1]=4 8920 B9R0.1 CNC(=O)CCCC(=O)C 1458a_100000070787_100000741757 [0,2,0,0,0,0|1,0,0]=3 8921 B9R0.1 CNC(=O)CCCC(C)C 11a_106832991635_100011216857 [0,2,0,0,0,0|1,0,0]=3 8922 B9R0.1 CNC(=O)CCCC(C)C 1626a_100102657272_100011216857 [0,2,0,0,0,0|1,0,0]=3 8923 B9R0.1 CNC(=O)CCCC(C)C 240690a_100102657272_100011216857 [0,2,0,0,0,0|1,0,0]=3 8924 B9R0.1 CNC(=O)CCCC(C)C 527a_100102657272_100011216857 [0,2,0,0,0,0|1,0,0]=3 8925 B9R0.1 CNC(=O)CCCC(C)O 1626a_100102657272_100000761597 [0,2,0,0,0,0|1,0,0]=3 8926 B9R0.1 CNC(=O)CCCC(C)O 527a_100102657272_100000761597 [0,2,0,0,0,0|1,0,0]=3 8927 B9R0.1 CNC(=O)CCCN(C)C 11a_106832991635_100000740757 [0,2,0,0,0,0|1,0,0]=3 8928 B9R0.1 CNC(=O)CCCN(C)C 2230a_100102631434_100000741757 [0,2,0,0,0,0|1,0,0]=3 8929 B9R0.1 CNC(=O)CCCN(C)C 240690a_100102657272_100000740757 [0,2,0,0,0,0|1,0,0]=3 8930 B9R0.1 CNC(=O)CCCN(C)C 269982a_100102631434_100000741757 [0,2,0,0,0,0|1,0,0]=3 8931 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 11a_106832991635_100016109205 [0,2,0,0,0,0|2,0,0]=4 8932 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 1626a_100102657272_100016109205 [0,2,0,0,0,0|2,0,0]=4 8933 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 240690a_100102657272_100016109205 [0,2,0,0,0,0|2,0,0]=4 8934 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 527a_100102657272_100016109205 [0,2,0,0,0,0|2,0,0]=4 8935 B9R0.1 CNC(=O)CCNC(=O)C 11a_100000738227_100015343762 [0,2,0,0,0,0|1,0,1]=4 8936 B9R0.1 CNC(=O)CCNC(=O)C 11a_106832991635_100000183196 [0,2,0,0,0,0|1,0,1]=4 8937 B9R0.1 CNC(=O)CCNC(=O)C 1626a_100102657272_100000183196 [0,2,0,0,0,0|1,0,1]=4 8938 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100000738227_100015343762 [0,2,0,0,0,0|1,0,1]=4 8939 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100102657272_100000183196 [0,2,0,0,0,0|1,0,1]=4 8940 B9R0.1 CNC(=O)CCNC(=O)C 527a_100000738227_100103153847 [0,2,0,0,0,0|1,0,1]=4 8941 B9R0.1 CNC(=O)CCNC(=O)C 527a_100102657272_100000183196 [0,2,0,0,0,0|1,0,1]=4 8942 B9R0.1 CNC(=O)CCNC(C)C 2230a_100000738227_100000210206 [0,2,0,0,0,0|1,0,0]=3 8943 B9R0.1 CNC(=O)CCNC(C)C 2230a_100138425928_100000737683 [0,2,0,0,0,0|1,0,0]=3 8944 B9R0.1 CNC(=O)CCNC(C)C 34a_100000738227_100000210206 [0,2,0,0,0,0|1,0,0]=3 8945 B9R0.1 CNC(=O)CCNC(C)C 34a_100138425928_100012179268 [0,2,0,0,0,0|1,0,0]=3 8946 B9R0.1 CNC(=O)CCOC(C)C 34a_100000212225_100012179268 [0,2,0,0,0,0|1,0,0]=3 8947 B9R0.1 CNC(=O)CCOC(C)C 34a_100000754576_100000210206 [0,2,0,0,0,0|1,0,0]=3 8948 B9R0.1 CNC(=O)CCSC(=O)C 1626a_100102657272_100000048949 [0,2,0,0,0,0|1,0,1]=4 8949 B9R0.1 CNC(=O)CCSC(=O)C 240690a_100102657272_100000048949 [0,2,0,0,0,0|1,0,1]=4 8950 B9R0.1 CNC(=O)CCSC(C)C 62a_100000210206_100000737683 [0,2,0,0,0,0|1,0,0]=3 8951 B9R0.1 CNC(=O)CCSC(C)C 62a_100000737683_100000210206 [0,2,0,0,0,0|1,0,0]=3 8952 B9R0.1 CNC(=O)CNCC(C)C 2230a_100000210953_100000183359 [0,2,0,0,0,0|1,0,0]=3 8953 B9R0.1 CNC(=O)CNCC(C)C 2230a_100000693194_100000210760 [0,2,0,0,0,0|1,0,0]=3 8954 B9R0.1 CNC(=O)CNCC(C)C 270004a_100000693194_100000210432 [0,2,0,0,0,0|1,0,0]=3 8955 B9R0.1 CNC(=O)CNCC(C)C 34a_100000210953_100000183359 [0,2,0,0,0,0|1,0,0]=3 8956 B9R0.1 CNC(=O)CNCC(C)O 2230a_100000210904_100000183359 [0,2,0,0,0,0|1,0,0]=3 8957 B9R0.1 CNC(=O)CNCC(C)O 2230a_100000693194_100011218427 [0,2,0,0,0,0|1,0,0]=3 8958 B9R0.1 CNC(=O)CNCC(C)O 34a_100000210904_100000183359 [0,2,0,0,0,0|1,0,0]=3 8959 B9R0.1 CNC(=O)CNCC(F)F 2230a_100000693194_100011934356 [0,2,0,0,0,0|2,0,0]=4 8960 B9R0.1 CNC(=O)CNCC(F)F 34a_100000765723_100000183359 [0,2,0,0,0,0|2,0,0]=4 8961 B9R0.1 CNC(=O)CNC[C@@H](C)O 2230a_100000693194_100009817552 [0,2,0,0,0,0|1,0,0]=3 8962 B9R0.1 CNC(=O)COCC(=O)C 34a_100000211253_100000183359 [0,2,0,0,0,0|1,0,1]=4 8963 B9R0.1 CNC(=O)COCC(C)Br 34a_100012180447_100000183359 [0,2,0,0,0,0|1,0,0]=3 8964 B9R0.1 CNC(=O)COCC(C)C 11a_106832991635_100011223364 [0,2,0,0,0,0|1,0,0]=3 8965 B9R0.1 CNC(=O)COCC(C)C 1626a_100102657272_100011223364 [0,2,0,0,0,0|1,0,0]=3 8966 B9R0.1 CNC(=O)COCC(C)C 240690a_100102657272_100011223364 [0,2,0,0,0,0|1,0,0]=3 8967 B9R0.1 CNC(=O)COCC(C)C 34a_100000210257_100000183359 [0,2,0,0,0,0|1,0,0]=3 8968 B9R0.1 CNC(=O)COCC(C)C 34a_100000750040_100000210624 [0,2,0,0,0,0|1,0,0]=3 8969 B9R0.1 CNC(=O)COCC(C)C 527a_100102657272_100011223364 [0,2,0,0,0,0|1,0,0]=3 8970 B9R0.1 CNC(=O)COCC(C)F 34a_100015925927_100000183359 [0,2,0,0,0,0|1,0,0]=3 8971 B9R0.1 CNC(=O)COCC(C)O 34a_100000750040_100011218427 [0,2,0,0,0,0|1,0,0]=3 8972 B9R0.1 CNC(=O)COCC(F)F 34a_100000743014_100000183359 [0,2,0,0,0,0|2,0,0]=4 8973 B9R0.1 CNC(=O)COCC(F)F 34a_100000750040_100011934356 [0,2,0,0,0,0|2,0,0]=4 8974 B9R0.1 CNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183359 [0,2,0,0,0,0|1,0,0]=3 8975 B9R0.1 CNC(=O)COC[C@@H](C)N 34a_100000737577_100000183359 [0,2,0,0,0,0|1,0,0]=3 8976 B9R0.1 CNC(=O)COC[C@@H](C)O 34a_100000750040_100009817552 [0,2,0,0,0,0|1,0,0]=3 8977 B9R0.1 CNC(=O)CSCC(C)C 62a_100000183359_100000210760 [0,2,0,0,0,0|1,0,0]=3 8978 B9R0.1 CNC(=O)CSCC(C)C 62a_100000210624_100000183359 [0,2,0,0,0,0|1,0,0]=3 8979 B9R0.1 CNC(=O)CSCC(C)O 62a_100000183359_100011218427 [0,2,0,0,0,0|1,0,0]=3 8980 B9R0.1 CNC(=O)CSCC(C)O 62a_100011218427_100000183359 [0,2,0,0,0,0|1,0,0]=3 8981 B9R0.1 CNC(=O)CSCC(F)F 62a_100000183359_100011934356 [0,2,0,0,0,0|2,0,0]=4 8982 B9R0.1 CNC(=O)CSCC(F)F 62a_100011934356_100000183359 [0,2,0,0,0,0|2,0,0]=4 8983 B9R0.1 CNC(=O)CSC[C@@H](C)O 62a_100000183359_100009817552 [0,2,0,0,0,0|1,0,0]=3 8984 B9R0.1 CNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183359 [0,2,0,0,0,0|1,0,0]=3 8985 B9R0.1 CNC(=O)NCCC(C)C 2708a_100000210545_106832991635 [0,2,0,0,0,0|1,0,0]=3 8986 B9R0.1 CNC(=O)NCCC(C)C 2708a_100102657272_100000210545 [0,2,0,0,0,0|1,0,0]=3 8987 B9R0.1 CNC(=O)NCCC(C)C 273464a_100000210545_100102657272 [0,2,0,0,0,0|1,0,0]=3 8988 B9R0.1 CNC(=O)NCCC(C)C 273464a_100102657272_100000210545 [0,2,0,0,0,0|1,0,0]=3 8989 B9R0.1 CNC(=O)NCCC(C)C 512a_100000210545_100102657272 [0,2,0,0,0,0|1,0,0]=3 8990 B9R0.1 CNC(=O)NCCC(C)C 512a_106832991638_100000210545 [0,2,0,0,0,0|1,0,0]=3 8991 B9R0.1 CNC(=O)NCCC(C)O 2708a_100102657272_200000755665 [0,2,0,0,0,0|1,0,0]=3 8992 B9R0.1 CNC(=O)NCCC(C)O 273464a_200000755665_100102657272 [0,2,0,0,0,0|1,0,0]=3 8993 B9R0.1 CNC(=O)NCCC(C)O 512a_106832991638_200000755665 [0,2,0,0,0,0|1,0,0]=3 8994 B9R0.1 CNC(=O)NCCC(C)O 512a_200000755665_100102657272 [0,2,0,0,0,0|1,0,0]=3 8995 B9R0.1 CNC(=O)NCCN(C)C 2708a_100102657272_100000210585 [0,2,0,0,0,0|2,0,0]=4 8996 B9R0.1 CNC(=O)NCCN(C)C 273464a_100000210585_100102657272 [0,2,0,0,0,0|2,0,0]=4 8997 B9R0.1 CNC(=O)NCCN(C)C 273464a_100102657272_100000210585 [0,2,0,0,0,0|2,0,0]=4 8998 B9R0.1 CNC(=O)NCCN(C)C 512a_106832991638_100000210585 [0,2,0,0,0,0|2,0,0]=4 8999 B9R0.1 CNC(=O)NNCC(C)C 273464a_100102657272_100000696102 [0,2,0,0,0,0|2,0,0]=4 9000 B9R0.1 CNC(=O)NNCC(C)C 512a_100000696102_100102657272 [0,2,0,0,0,0|2,0,0]=4 9001 B9R0.1 CNC(=O)NNCC(C)C 512a_106832991638_100000696102 [0,2,0,0,0,0|2,0,0]=4 9002 B9R0.1 CNC(=O)NNCC(C)O 512a_106832991638_200000730056 [0,2,0,0,0,0|2,0,0]=4 9003 B9R0.1 CNC(=O)NNCC(C)O 512a_200000730056_100102657272 [0,2,0,0,0,0|2,0,0]=4 9004 B9R0.1 CNC(=O)OCCC(=O)C 1458a_100000070787_200011997002 [0,2,0,0,0,0|1,0,1]=4 9005 B9R0.1 CNC(=O)OCCN(C)C 269982a_100102631434_200011997002 [0,2,0,0,0,0|2,0,0]=4 9006 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000070787_100011218270 [0,2,0,0,0,0|1,0,0]=3 9007 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000239890_200000210301 [0,2,0,0,0,0|1,0,0]=3 9008 B9R0.1 COC(=O)CCCC(=O)[13CH3] 1458a_100000239890_200025704644 [0,2,0,0,0,0|1,0,0]=3 9009 B9R0.1 COC(=O)CCCN(C)C 2230a_100102631434_100011218270 [0,2,0,0,0,0|1,0,0]=3 9010 B9R0.1 COC(=O)CCCN(C)C 269982a_100000739225_200000210301 [0,2,0,0,0,0|1,0,0]=3 9011 B9R0.1 COC(=O)CCCN(C)C 269982a_100102631434_100011218270 [0,2,0,0,0,0|1,0,0]=3 9012 B9R0.1 COC(=O)CCCN(C)[13CH3] 269982a_100000739225_200025704644 [0,2,0,0,0,0|1,0,0]=3 9013 B9R0.1 COC(=O)CCNC(=O)C 188690a_100000683876_100015343762 [0,2,0,0,0,0|1,0,1]=4 9014 B9R0.1 COC(=O)CCNC(C)C 2230a_100138425928_100000204255 [0,2,0,0,0,0|1,0,0]=3 9015 B9R0.1 COC(=O)CCNC(C)C 34a_100138425928_100000742370 [0,2,0,0,0,0|1,0,0]=3 9016 B9R0.1 COC(=O)CCOC(C)C 34a_100000212225_100000742370 [0,2,0,0,0,0|1,0,0]=3 9017 B9R0.1 COC(=O)CCSC(C)C 62a_100000204255_100000210206 [0,2,0,0,0,0|1,0,0]=3 9018 B9R0.1 COC(=O)CCSC(C)C 62a_100000210206_100000204255 [0,2,0,0,0,0|1,0,0]=3 9019 B9R0.1 COC(=O)CNCC(C)C 2230a_100000210953_100000747449 [0,2,0,0,0,0|1,0,0]=3 9020 B9R0.1 COC(=O)CNCC(C)C 34a_100000210953_100000747449 [0,2,0,0,0,0|1,0,0]=3 9021 B9R0.1 COC(=O)CNCC(C)O 2230a_100000210904_100000747449 [0,2,0,0,0,0|1,0,0]=3 9022 B9R0.1 COC(=O)CNCC(C)O 34a_100000210904_100000747449 [0,2,0,0,0,0|1,0,0]=3 9023 B9R0.1 COC(=O)CNCC(F)F 34a_100000765723_100000747449 [0,2,0,0,0,0|2,0,0]=4 9024 B9R0.1 COC(=O)COCC(=O)C 34a_100000211253_100000747449 [0,2,0,0,0,0|1,0,1]=4 9025 B9R0.1 COC(=O)COCC(C)Br 34a_100012180447_100000747449 [0,2,0,0,0,0|1,0,0]=3 9026 B9R0.1 COC(=O)COCC(C)C 34a_100000210257_100000747449 [0,2,0,0,0,0|1,0,0]=3 9027 B9R0.1 COC(=O)COCC(C)F 34a_100015925927_100000747449 [0,2,0,0,0,0|1,0,0]=3 9028 B9R0.1 COC(=O)COCC(F)F 34a_100000743014_100000747449 [0,2,0,0,0,0|2,0,0]=4 9029 B9R0.1 COC(=O)COC[C@@H](C)Cl 34a_100016084084_100000747449 [0,2,0,0,0,0|1,0,0]=3 9030 B9R0.1 COC(=O)COC[C@@H](C)N 34a_100000737577_100000747449 [0,2,0,0,0,0|1,0,0]=3 9031 B9R0.1 COC(=O)CSCC(=O)C 1458a_100000191316_200000210301 [0,2,0,0,0,0|1,0,1]=4 9032 B9R0.1 COC(=O)CSCC(=O)[13CH3] 1458a_100000191316_200025704644 [0,2,0,0,0,0|1,0,1]=4 9033 B9R0.1 COC(=O)CSCC(C)C 62a_100000210624_100000747449 [0,2,0,0,0,0|1,0,0]=3 9034 B9R0.1 COC(=O)CSCC(C)C 62a_100000747449_100000210760 [0,2,0,0,0,0|1,0,0]=3 9035 B9R0.1 COC(=O)CSCC(C)O 62a_100000747449_100011218427 [0,2,0,0,0,0|1,0,0]=3 9036 B9R0.1 COC(=O)CSCC(C)O 62a_100011218427_100000747449 [0,2,0,0,0,0|1,0,0]=3 9037 B9R0.1 COC(=O)CSCC(F)F 62a_100000747449_100011934356 [0,2,0,0,0,0|2,0,0]=4 9038 B9R0.1 COC(=O)CSCC(F)F 62a_100011934356_100000747449 [0,2,0,0,0,0|2,0,0]=4 9039 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100000747449_100009817552 [0,2,0,0,0,0|1,0,0]=3 9040 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100009817552_100000747449 [0,2,0,0,0,0|1,0,0]=3 9041 B9R0.1 COC(=O)OCSC(C)C 62a_100000210206_100000139417 [0,2,0,0,0,0|2,0,0]=4 9042 B9R0.1 NC(=O)CCCC(=O)CO 1458a_100000210174_100102525003 [0,2,0,0,0,0|1,0,1]=4 9043 B9R0.1 O=C(CF)CCC[N+](=O)[O-] 1458a_100016109205_100015361967 [0,2,0,0,0,0|2,0,0]=4 9044 B9R0.20 CCCCCS(=O)(=O)NC 270084a_100102657272_100000753860 [0,2,0,0,0,0|2,0,0]=4 9045 B9R0.20 CCCCCS(=O)(=O)NC 274078a_100102657272_100000753860 [0,2,0,0,0,0|2,0,0]=4 9046 B9R0.20 CCCCNC(C)(C)CC 2230a_100000211385_100000210211 [0,2,0,0,0,0|1,0,1]=4 9047 B9R0.20 CCCCNC(C)(C)CC 7a_106832991798_100000210677 [0,2,0,0,0,0|1,0,1]=4 9048 B9R0.20 CCCCNS(=O)(=O)CC 270084a_100000102301_100000211323 [0,2,0,0,0,0|1,0,0]=3 9049 B9R0.20 CCCCNS(=O)(=O)CC 274078a_100000102301_100000211323 [0,2,0,0,0,0|1,0,0]=3 9050 B9R0.20 CCCCNS(=O)(=O)CC 40a_100000102301_100000053943 [0,2,0,0,0,0|1,0,0]=3 9051 B9R0.20 CCCCNS(=O)(=O)CCl 270084a_100000102301_100000031410 [0,2,0,0,0,0|2,0,0]=4 9052 B9R0.20 CCCCNS(=O)(=O)CCl 274078a_100000102301_100000031410 [0,2,0,0,0,0|2,0,0]=4 9053 B9R0.20 CCCCOC(C)(C)CC 7a_100000210227_100000210677 [0,2,0,0,0,0|1,0,1]=4 9054 B9R0.20 CCCCOC(C)(C)CC 7a_100000210230_100000210211 [0,2,0,0,0,0|1,0,1]=4 9055 B9R0.20 CCCCSC(C)(C)CC 62a_100000032637_100000210210 [0,2,0,0,0,0|1,0,1]=4 9056 B9R0.20 CCCCSC(C)(C)CC 62a_100000210211_100000032637 [0,2,0,0,0,0|1,0,1]=4 9057 B9R0.20 CCCNNS(=O)(=O)CC 40a_100000740057_100000053943 [0,2,0,0,0,0|2,0,0]=4 9058 B9R0.20 CCCOCC(C)(C)CC 7a_100000765029_100000210303 [0,2,0,0,0,0|1,0,1]=4 9059 B9R0.20 CCNCCS(=O)(=O)CC 2230a_100000751051_100000210202 [0,2,0,0,0,0|1,0,0]=3 9060 B9R0.20 CCNCCS(=O)(=O)CC 2230a_100015525214_100000756660 [0,2,0,0,0,0|1,0,0]=3 9061 B9R0.20 CCNCCS(=O)(=O)CC 34a_100000751051_100000210202 [0,2,0,0,0,0|1,0,0]=3 9062 B9R0.20 CCNCCS(=O)(=O)NC 2230a_100000710037_100000210202 [0,2,0,0,0,0|2,0,0]=4 9063 B9R0.20 CCNCCS(=O)(=O)NC 34a_100000710037_100000210202 [0,2,0,0,0,0|2,0,0]=4 9064 B9R0.20 CCOCCS(=O)(=O)CC 34a_100121572206_100000756660 [0,2,0,0,0,0|1,0,0]=3 9065 B9R0.20 CCOCCS(=O)(=O)CC 34a_200011216379_100000210202 [0,2,0,0,0,0|1,0,0]=3 9066 B9R0.20 CCOCCS(=O)(=O)CC 7a_200011216379_100000210202 [0,2,0,0,0,0|1,0,0]=3 9067 B9R0.20 CCOCCS(=O)(=O)NC 270084a_100102657272_100000747040 [0,2,0,0,0,0|2,0,0]=4 9068 B9R0.20 CCOCCS(=O)(=O)NC 274078a_100102657272_100000747040 [0,2,0,0,0,0|2,0,0]=4 9069 B9R0.20 CCS(=O)(=O)CCNCF 34a_100000751051_100015361967 [0,2,0,0,0,0|2,0,0]=4 9070 B9R0.20 CCS(=O)(=O)CCOCF 34a_200011216379_100015361967 [0,2,0,0,0,0|2,0,0]=4 9071 B9R0.20 CCS(=O)(=O)CCOCF 7a_200011216379_100015361967 [0,2,0,0,0,0|2,0,0]=4 9072 B9R0.20 CCS(=O)(=O)CCSCF 62a_100000756660_100015361967 [0,2,0,0,0,0|2,0,0]=4 9073 B9R0.20 CCS(=O)(=O)CCSCF 62a_100015361967_100000756660 [0,2,0,0,0,0|2,0,0]=4 9074 B9R0.20 CCS(=O)(=O)NCCCF 270084a_100015189416_100000211323 [0,2,0,0,0,0|2,0,0]=4 9075 B9R0.20 CCS(=O)(=O)NCCCF 274078a_100015189416_100000211323 [0,2,0,0,0,0|2,0,0]=4 9076 B9R0.20 CCS(=O)(=O)NCCCF 40a_100015189416_100000053943 [0,2,0,0,0,0|2,0,0]=4 9077 B9R0.20 CCS(=O)(=O)NCCCO 270084a_100000182051_100000211323 [0,2,0,0,0,0|2,0,0]=4 9078 B9R0.20 CCS(=O)(=O)NCCCO 274078a_100000182051_100000211323 [0,2,0,0,0,0|2,0,0]=4 9079 B9R0.20 CCS(=O)(=O)NCCCO 40a_100000182051_100000053943 [0,2,0,0,0,0|2,0,0]=4 9080 B9R0.20 CCS(=O)(=O)NCCOC 270084a_100000209980_100000211323 [0,2,0,0,0,0|2,0,0]=4 9081 B9R0.20 CCS(=O)(=O)NCCOC 274078a_100000209980_100000211323 [0,2,0,0,0,0|2,0,0]=4 9082 B9R0.20 CCS(=O)(=O)NCCOC 40a_100000209980_100000053943 [0,2,0,0,0,0|2,0,0]=4 9083 B9R0.20 CCS(=O)(=O)NCCSC 270084a_100020590264_100000211323 [0,2,0,0,0,0|2,0,0]=4 9084 B9R0.20 CCS(=O)(=O)NCCSC 274078a_100020590264_100000211323 [0,2,0,0,0,0|2,0,0]=4 9085 B9R0.20 CCS(=O)(=O)NCCSC 40a_100020590264_100000053943 [0,2,0,0,0,0|2,0,0]=4 9086 B9R0.20 CCSCCS(=O)(=O)CC 62a_100000210202_100000756660 [0,2,0,0,0,0|1,0,0]=3 9087 B9R0.20 CCSCCS(=O)(=O)CC 62a_100000756660_100000210202 [0,2,0,0,0,0|1,0,0]=3 9088 B9R0.20 CNS(=O)(=O)CCCCCl 270084a_100102657272_100000021705 [0,2,0,0,0,0|2,0,0]=4 9089 B9R0.24 C#CC(C)NCC(=O)NC 2230a_100000707721_100000183359 [0,2,0,0,0,0|2,0,0]=4 9090 B9R0.24 C#CC(C)NCC(=O)NC 34a_100000707721_100000183359 [0,2,0,0,0,0|2,0,0]=4 9091 B9R0.24 C#CC(C)NCC(=O)OC 2230a_100000707721_100000747449 [0,2,0,0,0,0|2,0,0]=4 9092 B9R0.24 C#CC(C)NCC(=O)OC 34a_100000707721_100000747449 [0,2,0,0,0,0|2,0,0]=4 9093 B9R0.24 C#CC(C)OCC(=O)CC 34a_100000725409_200000035995 [0,2,0,0,0,0|1,0,0]=3 9094 B9R0.24 C#CC(C)OCC(=O)NC 34a_100000750040_200000035995 [0,2,0,0,0,0|2,0,0]=4 9095 B9R0.24 C#CC(C)SCC(=O)CC 62a_200000035995_100000747405 [0,2,0,0,0,0|1,0,0]=3 9096 B9R0.24 C#CC(C)SCC(=O)NC 62a_200000035995_100000183359 [0,2,0,0,0,0|2,0,0]=4 9097 B9R0.24 C#CC(C)SCC(=O)OC 62a_200000035995_100000747449 [0,2,0,0,0,0|2,0,0]=4 9098 B9R0.24 C#C[C@@H](C)OCC(=O)CC 7a_100009815206_100000747405 [0,2,0,0,0,0|1,0,0]=3 9099 B9R0.24 C#C[C@@H](C)OCC(=O)NC 34a_100009815206_100000183359 [0,2,0,0,0,0|2,0,0]=4 9100 B9R0.24 C#C[C@@H](C)OCC(=O)NC 7a_100009815206_100000183359 [0,2,0,0,0,0|2,0,0]=4 9101 B9R0.24 C#C[C@@H](C)OCC(=O)OC 34a_100009815206_100000747449 [0,2,0,0,0,0|2,0,0]=4 9102 B9R0.24 C#C[C@@H](C)OCC(=O)OC 7a_100009815206_100000747449 [0,2,0,0,0,0|2,0,0]=4 9103 B9R0.24 C=CC(=O)NCC(C)CC 1626a_100020588543_100000185746 [0,2,0,0,0,0|0,0,2]=4 9104 B9R0.24 C=CC(=O)NCC(C)CC 240690a_100020588543_200121576911 [0,2,0,0,0,0|0,0,2]=4 9105 B9R0.24 C=CC(=O)NCC(O)CC 240690a_100011218483_200121576911 [0,2,0,0,0,0|0,0,2]=4 9106 B9R0.24 C=CC(C)OCC(=O)NC 34a_100000695699_100000183359 [0,2,0,0,0,0|2,0,0]=4 9107 B9R0.24 C=CC(C)OCC(=O)OC 34a_100000695699_100000747449 [0,2,0,0,0,0|2,0,0]=4 9108 B9R0.24 C=CC(C)SCC(=O)CC 62a_100011215867_100000747405 [0,2,0,0,0,0|1,0,0]=3 9109 B9R0.24 C=CC(C)SCC(=O)NC 62a_100011215867_100000183359 [0,2,0,0,0,0|2,0,0]=4 9110 B9R0.24 C=CC(C)SCC(=O)OC 62a_100011215867_100000747449 [0,2,0,0,0,0|2,0,0]=4 9111 B9R0.24 CC(CO)CNC(=O)CO 240690a_100000744482_100000210174 [0,2,0,0,0,0|2,0,0]=4 9112 B9R0.24 CC(CO)CNC(=O)CO 527a_100000744482_100000210174 [0,2,0,0,0,0|2,0,0]=4 9113 B9R0.24 CCC(=O)CCC(=O)NC 1458a_100011309844_100000210202 [0,2,0,0,0,0|0,0,1]=3 9114 B9R0.24 CCC(=O)CCC(=O)OC 1458a_100000187943_100000210202 [0,2,0,0,0,0|0,0,1]=3 9115 B9R0.24 CCC(=O)CCC(C)CC 1458a_100000701222_100000210202 [0,2,0,0,0,0|0,0,0]=2 9116 B9R0.24 CCC(=O)CCN(C)CC 1458a_100000755305_100000210202 [0,2,0,0,0,0|0,0,0]=2 9117 B9R0.24 CCC(=O)CCS(=O)CC 1458a_100011387550_100000210202 [0,2,0,0,0,0|0,0,0]=2 9118 B9R0.24 CCC(=O)CNC(=O)CC 1458a_100000194589_100000210202 [0,2,0,0,0,0|0,0,1]=3 9119 B9R0.24 CCC(=O)CNC(=O)OC 1458a_100000215747_100000210202 [0,2,0,0,0,0|1,0,1]=4 9120 B9R0.24 CCC(=O)COC(C)CC 34a_100000725409_100011215416 [0,2,0,0,0,0|0,0,0]=2 9121 B9R0.24 CCC(=O)COC(C)CC 7a_100000210228_100000747405 [0,2,0,0,0,0|0,0,0]=2 9122 B9R0.24 CCC(=O)COC(C)CF 7a_100016041109_100000747405 [0,2,0,0,0,0|1,0,0]=3 9123 B9R0.24 CCC(=O)COC(C)CO 34a_100000725409_100012180447 [0,2,0,0,0,0|1,0,0]=3 9124 B9R0.24 CCC(=O)CSC(C)C#N 62a_100000703298_100000747405 [0,2,0,0,0,0|1,0,0]=3 9125 B9R0.24 CCC(=O)CSC(C)C#N 62a_100000747405_100000703298 [0,2,0,0,0,0|1,0,0]=3 9126 B9R0.24 CCC(=O)CSC(C)CC 62a_100000747405_100000758301 [0,2,0,0,0,0|0,0,0]=2 9127 B9R0.24 CCC(=O)CSC(C)CC 62a_100000758301_100000747405 [0,2,0,0,0,0|0,0,0]=2 9128 B9R0.24 CCC(=O)CSC(C)CO 62a_100012180447_100000747405 [0,2,0,0,0,0|1,0,0]=3 9129 B9R0.24 CCC(=O)CSC(C)OC 62a_100000747405_100009879195 [0,2,0,0,0,0|1,0,0]=3 9130 B9R0.24 CCC(=O)CSC(C)OC 62a_100009879195_100000747405 [0,2,0,0,0,0|1,0,0]=3 9131 B9R0.24 CCC(=O)CSC(F)C#N 62a_100000747405_200000117898 [0,2,0,0,0,0|1,0,1]=4 9132 B9R0.24 CCC(=O)CSC(F)C#N 62a_200000117898_100000747405 [0,2,0,0,0,0|1,0,1]=4 9133 B9R0.24 CCC(=O)CS[C@H](C)CO 62a_100000747405_100016084084 [0,2,0,0,0,0|1,0,0]=3 9134 B9R0.24 CCC(=O)CS[C@H](C)CO 62a_100016084084_100000747405 [0,2,0,0,0,0|1,0,0]=3 9135 B9R0.24 CCC(=O)NCC(=O)CF 1458a_100000194589_100015361967 [0,2,0,0,0,0|1,0,1]=4 9136 B9R0.24 CCC(=O)NCC(=O)NC 11a_100000693194_100000210414 [0,2,0,0,0,0|1,0,1]=4 9137 B9R0.24 CCC(=O)NCC(=O)NC 11a_106832991635_100000194589 [0,2,0,0,0,0|1,0,1]=4 9138 B9R0.24 CCC(=O)NCC(=O)NC 1626a_100102657272_100000194589 [0,2,0,0,0,0|1,0,1]=4 9139 B9R0.24 CCC(=O)NCC(=O)NC 240690a_100000693194_100000210414 [0,2,0,0,0,0|1,0,1]=4 9140 B9R0.24 CCC(=O)NCC(=O)NC 240690a_100102657272_100000194589 [0,2,0,0,0,0|1,0,1]=4 9141 B9R0.24 CCC(=O)NCC(=O)NC 527a_100000693194_100000210414 [0,2,0,0,0,0|1,0,1]=4 9142 B9R0.24 CCC(=O)NCC(=O)NC 527a_100102657272_100000194589 [0,2,0,0,0,0|1,0,1]=4 9143 B9R0.24 CCC(=O)NCC(=O)OC 188690a_100000185156_100000210414 [0,2,0,0,0,0|1,0,1]=4 9144 B9R0.24 CCC(=O)NCC(C)CC 11a_100020588543_100000210414 [0,2,0,0,0,0|0,0,0]=2 9145 B9R0.24 CCC(=O)NCC(C)CC 1626a_100020588543_100000210414 [0,2,0,0,0,0|0,0,0]=2 9146 B9R0.24 CCC(=O)NCC(C)CC 240690a_100020588543_100000210414 [0,2,0,0,0,0|0,0,0]=2 9147 B9R0.24 CCC(=O)NCC(C)CC 527a_100020588543_100000210414 [0,2,0,0,0,0|0,0,0]=2 9148 B9R0.24 CCC(=O)NCC(C)CO 240690a_100000744482_100000210414 [0,2,0,0,0,0|1,0,0]=3 9149 B9R0.24 CCC(=O)NCC(C)CO 527a_100000744482_100000210414 [0,2,0,0,0,0|1,0,0]=3 9150 B9R0.24 CCC(=O)NCC(O)CC 11a_100011218483_100000210414 [0,2,0,0,0,0|0,0,0]=2 9151 B9R0.24 CCC(=O)NCC(O)CC 240690a_100011218483_100000210414 [0,2,0,0,0,0|0,0,0]=2 9152 B9R0.24 CCC(=O)NCC(O)CC 527a_100011218483_100000210414 [0,2,0,0,0,0|0,0,0]=2 9153 B9R0.24 CCC(=O)NC[C@@H](C)OC 11a_100020591295_100000210414 [0,2,0,0,0,0|1,0,0]=3 9154 B9R0.24 CCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000210414 [0,2,0,0,0,0|1,0,0]=3 9155 B9R0.24 CCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000210414 [0,2,0,0,0,0|1,0,0]=3 9156 B9R0.24 CCC(=O)NC[C@@H](C)OC 527a_100020591295_100000210414 [0,2,0,0,0,0|1,0,0]=3 9157 B9R0.24 CCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000210414 [0,2,0,0,0,0|1,0,0]=3 9158 B9R0.24 CCC(=O)NC[C@@H](F)CO 527a_100015665980_100000210414 [0,2,0,0,0,0|1,0,0]=3 9159 B9R0.24 CCC(=O)NC[C@H](O)CO 240690a_100020644852_100000210414 [0,2,0,0,0,0|1,0,0]=3 9160 B9R0.24 CCC(=O)NC[C@H](O)CO 527a_100020644852_100000210414 [0,2,0,0,0,0|1,0,0]=3 9161 B9R0.24 CCC(=O)NNC(=O)CC 22a_100000183195_100000210414 [0,2,0,0,0,0|1,0,1]=4 9162 B9R0.24 CCC(=O)NNC(C)CC 22a_100000718999_100000210414 [0,2,0,0,0,0|1,0,0]=3 9163 B9R0.24 CCC(C)CCC(=O)CF 1458a_100000701222_100015361967 [0,2,0,0,0,0|1,0,0]=3 9164 B9R0.24 CCC(C)CCC(=O)NC 11a_106832991635_100000701222 [0,2,0,0,0,0|1,0,0]=3 9165 B9R0.24 CCC(C)CCC(=O)NC 1626a_100102657272_100000701222 [0,2,0,0,0,0|1,0,0]=3 9166 B9R0.24 CCC(C)CCC(=O)NC 240690a_100102657272_100000701222 [0,2,0,0,0,0|1,0,0]=3 9167 B9R0.24 CCC(C)CCC(=O)NC 527a_100102657272_100000701222 [0,2,0,0,0,0|1,0,0]=3 9168 B9R0.24 CCC(C)CCC(C)OC 7a_200011216552_200000210301 [0,2,0,0,0,0|1,0,1]=4 9169 B9R0.24 CCC(C)CCC(C)O[13CH3] 7a_200011216552_200025704644 [0,2,0,0,0,0|1,0,1]=4 9170 B9R0.24 CCC(C)CNC(=O)CO 240690a_100020588543_100000210174 [0,2,0,0,0,0|1,0,0]=3 9171 B9R0.24 CCC(C)CNC(=O)CO 527a_100020588543_100000210174 [0,2,0,0,0,0|1,0,0]=3 9172 B9R0.24 CCC(C)CNC(=O)NC 2708a_100020588543_106832991635 [0,2,0,0,0,0|1,0,0]=3 9173 B9R0.24 CCC(C)CNC(=O)NC 2708a_100102657272_100020588543 [0,2,0,0,0,0|1,0,0]=3 9174 B9R0.24 CCC(C)CNC(=O)NC 273464a_100020588543_100102657272 [0,2,0,0,0,0|1,0,0]=3 9175 B9R0.24 CCC(C)CNC(=O)NC 273464a_100102657272_100020588543 [0,2,0,0,0,0|1,0,0]=3 9176 B9R0.24 CCC(C)CNC(=O)NC 512a_100020588543_100102657272 [0,2,0,0,0,0|1,0,0]=3 9177 B9R0.24 CCC(C)CNC(=O)NC 512a_106832991638_100020588543 [0,2,0,0,0,0|1,0,0]=3 9178 B9R0.24 CCC(C)CNC(C)CC 2230a_100000209981_100000748023 [0,2,0,0,0,0|1,0,1]=4 9179 B9R0.24 CCC(C)CNC(C)CC 2230a_100020588543_100000758301 [0,2,0,0,0,0|1,0,1]=4 9180 B9R0.24 CCC(C)CNC(C)CC 270004a_100000209981_100000243153 [0,2,0,0,0,0|1,0,1]=4 9181 B9R0.24 CCC(C)COC(C)CC 7a_100000210228_100000748023 [0,2,0,0,0,0|1,0,1]=4 9182 B9R0.24 CCC(C)CSC(C)CC 62a_100000748023_100000758301 [0,2,0,0,0,0|1,0,1]=4 9183 B9R0.24 CCC(C)CSC(C)CC 62a_100000758301_100000748023 [0,2,0,0,0,0|1,0,1]=4 9184 B9R0.24 CCC(C)NCC(=O)NC 2230a_100000209981_100000183359 [0,2,0,0,0,0|1,0,0]=3 9185 B9R0.24 CCC(C)NCC(=O)NC 2230a_100000693194_100000758301 [0,2,0,0,0,0|1,0,0]=3 9186 B9R0.24 CCC(C)NCC(=O)OC 2230a_100000209981_100000747449 [0,2,0,0,0,0|1,0,0]=3 9187 B9R0.24 CCC(C)NC[C@@H](C)CC 2230a_100000209981_100009816398 [0,2,0,0,0,0|1,0,1]=4 9188 B9R0.24 CCC(C)NNC(=O)CO 22a_100000718999_100000210174 [0,2,0,0,0,0|2,0,0]=4 9189 B9R0.24 CCC(C)NNC(=O)NC 273464a_100102657272_100000718999 [0,2,0,0,0,0|2,0,0]=4 9190 B9R0.24 CCC(C)NNC(=O)NC 512a_100000718999_100102657272 [0,2,0,0,0,0|2,0,0]=4 9191 B9R0.24 CCC(C)NNC(=O)NC 512a_106832991638_100000718999 [0,2,0,0,0,0|2,0,0]=4 9192 B9R0.24 CCC(C)OCC(=O)NC 34a_100000750040_100011215416 [0,2,0,0,0,0|1,0,0]=3 9193 B9R0.24 CCC(C)OCC(=O)NC 7a_100000210228_100000183359 [0,2,0,0,0,0|1,0,0]=3 9194 B9R0.24 CCC(C)OCC(=O)OC 7a_100000210228_100000747449 [0,2,0,0,0,0|1,0,0]=3 9195 B9R0.24 CCC(C)OC[C@@H](C)CC 7a_100000210228_100009816398 [0,2,0,0,0,0|1,0,1]=4 9196 B9R0.24 CCC(C)OC[C@@H](C)CC 7a_100009816381_100000758301 [0,2,0,0,0,0|1,0,1]=4 9197 B9R0.24 CCC(C)SCC(=O)NC 62a_100000183359_100000758301 [0,2,0,0,0,0|1,0,0]=3 9198 B9R0.24 CCC(C)SCC(=O)NC 62a_100000758301_100000183359 [0,2,0,0,0,0|1,0,0]=3 9199 B9R0.24 CCC(C)SCC(=O)OC 62a_100000747449_100000758301 [0,2,0,0,0,0|1,0,0]=3 9200 B9R0.24 CCC(C)SCC(=O)OC 62a_100000758301_100000747449 [0,2,0,0,0,0|1,0,0]=3 9201 B9R0.24 CCC(C)SC[C@@H](C)CC 62a_100000758301_100009816398 [0,2,0,0,0,0|1,0,1]=4 9202 B9R0.24 CCC(C)SC[C@@H](C)CC 62a_100009816398_100000758301 [0,2,0,0,0,0|1,0,1]=4 9203 B9R0.24 CCC(O)CCC(=O)NC 1626a_100102657272_203496584001 [0,2,0,0,0,0|1,0,0]=3 9204 B9R0.24 CCC(O)CCC(=O)NC 240690a_100102657272_203496584001 [0,2,0,0,0,0|1,0,0]=3 9205 B9R0.24 CCC(O)CNC(=O)CO 240690a_100011218483_100000210174 [0,2,0,0,0,0|1,0,0]=3 9206 B9R0.24 CCC(O)CNC(=O)CO 527a_100011218483_100000210174 [0,2,0,0,0,0|1,0,0]=3 9207 B9R0.24 CCC(O)CNC(=O)NC 2708a_100102657272_100011218483 [0,2,0,0,0,0|1,0,0]=3 9208 B9R0.24 CCC(O)CNC(=O)NC 273464a_100011218483_100102657272 [0,2,0,0,0,0|1,0,0]=3 9209 B9R0.24 CCC(O)CNC(=O)NC 273464a_100102657272_100011218483 [0,2,0,0,0,0|1,0,0]=3 9210 B9R0.24 CCC(O)CNC(=O)NC 512a_100011218483_100102657272 [0,2,0,0,0,0|1,0,0]=3 9211 B9R0.24 CCC(O)CNC(C)CC 2230a_100000209981_100011218378 [0,2,0,0,0,0|0,0,2]=4 9212 B9R0.24 CCC(O)CNC(C)CC 2230a_100011218483_100000758301 [0,2,0,0,0,0|0,0,2]=4 9213 B9R0.24 CCC(O)COC(C)CC 7a_100000210228_100011218378 [0,2,0,0,0,0|0,0,2]=4 9214 B9R0.24 CCC(O)CSC(C)CC 62a_100000758301_100011218378 [0,2,0,0,0,0|0,0,2]=4 9215 B9R0.24 CCC(O)CSC(C)CC 62a_100011218378_100000758301 [0,2,0,0,0,0|0,0,2]=4 9216 B9R0.24 CCN(C)CCC(=O)CF 1458a_100000755305_100015361967 [0,2,0,0,0,0|1,0,0]=3 9217 B9R0.24 CCN(C)CCC(=O)NC 2230a_100000225621_100000737683 [0,2,0,0,0,0|1,0,0]=3 9218 B9R0.24 CCN(C)CCC(=O)NC 2230a_100000750875_100000210202 [0,2,0,0,0,0|1,0,0]=3 9219 B9R0.24 CCN(C)CCC(=O)NC 240690a_100102657272_100000755305 [0,2,0,0,0,0|1,0,0]=3 9220 B9R0.24 CCN(C)CCC(=O)NC 269982a_100000225621_100000737683 [0,2,0,0,0,0|1,0,0]=3 9221 B9R0.24 CCN(C)CCC(=O)NC 269982a_100000750875_100000204670 [0,2,0,0,0,0|1,0,0]=3 9222 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000225621_100000204255 [0,2,0,0,0,0|1,0,0]=3 9223 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000229097_200000210301 [0,2,0,0,0,0|1,0,0]=3 9224 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000225621_100000204255 [0,2,0,0,0,0|1,0,0]=3 9225 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000229097_200000210301 [0,2,0,0,0,0|1,0,0]=3 9226 B9R0.24 CCN(C)CCC(=O)OC 269982a_100025711912_100000204670 [0,2,0,0,0,0|1,0,0]=3 9227 B9R0.24 CCN([13CH3])CCC(=O)OC 2230a_100000229097_200025704644 [0,2,0,0,0,0|1,0,0]=3 9228 B9R0.24 CCN([13CH3])CCC(=O)OC 269982a_100000229097_200025704644 [0,2,0,0,0,0|1,0,0]=3 9229 B9R0.24 CCS(=O)CCC(=O)CF 1458a_100011387550_100015361967 [0,2,0,0,0,0|1,0,0]=3 9230 B9R0.24 CCS(=O)CCC(=O)NC 11a_106832991635_100011387550 [0,2,0,0,0,0|1,0,0]=3 9231 B9R0.24 CCS(=O)CCC(=O)NC 1626a_100102657272_100011387550 [0,2,0,0,0,0|1,0,0]=3 9232 B9R0.24 CCS(=O)CCC(=O)NC 240690a_100102657272_100011387550 [0,2,0,0,0,0|1,0,0]=3 9233 B9R0.24 CCS(=O)CCC(=O)NC 527a_100102657272_100011387550 [0,2,0,0,0,0|1,0,0]=3 9234 B9R0.24 CNC(=O)CCC(=O)CF 1458a_100011309844_100015361967 [0,2,0,0,0,0|1,0,1]=4 9235 B9R0.24 CNC(=O)CCC(=O)NC 11a_106832991635_100011309844 [0,2,0,0,0,0|1,0,1]=4 9236 B9R0.24 CNC(=O)CCC(=O)NC 1626a_100102657272_100011309844 [0,2,0,0,0,0|1,0,1]=4 9237 B9R0.24 CNC(=O)CCC(=O)NC 240690a_100102657272_100011309844 [0,2,0,0,0,0|1,0,1]=4 9238 B9R0.24 CNC(=O)CCC(=O)NC 527a_100102657272_100011309844 [0,2,0,0,0,0|1,0,1]=4 9239 B9R0.24 CNC(=O)CCC(=O)OC 11a_106832991635_100000187943 [0,2,0,0,0,0|1,0,1]=4 9240 B9R0.24 CNC(=O)CCC(=O)OC 1626a_100102657272_100000187943 [0,2,0,0,0,0|1,0,1]=4 9241 B9R0.24 CNC(=O)CCC(=O)OC 240690a_100102657272_100000187943 [0,2,0,0,0,0|1,0,1]=4 9242 B9R0.24 CNC(=O)CCC(=O)OC 527a_100102657272_100000187943 [0,2,0,0,0,0|1,0,1]=4 9243 B9R0.24 CNC(=O)CCN(C)CF 269982a_100000750875_100015361967 [0,2,0,0,0,0|2,0,0]=4 9244 B9R0.24 CNC(=O)CNC(C)C#N 2230a_100000693194_100000184139 [0,2,0,0,0,0|2,0,0]=4 9245 B9R0.24 CNC(=O)CNC(C)C#N 2230a_100000737613_100000183359 [0,2,0,0,0,0|2,0,0]=4 9246 B9R0.24 CNC(=O)CNC(C)CO 2230a_100000693194_100012180447 [0,2,0,0,0,0|2,0,0]=4 9247 B9R0.24 CNC(=O)CN[C@H](C)CO 2230a_100000737577_100000183359 [0,2,0,0,0,0|2,0,0]=4 9248 B9R0.24 CNC(=O)COC(C)C#N 34a_100011218135_100000183359 [0,2,0,0,0,0|2,0,0]=4 9249 B9R0.24 CNC(=O)COC(C)CF 34a_100016041109_100000183359 [0,2,0,0,0,0|2,0,0]=4 9250 B9R0.24 CNC(=O)COC(C)CF 7a_100016041109_100000183359 [0,2,0,0,0,0|2,0,0]=4 9251 B9R0.24 CNC(=O)COC(C)CN 34a_100000210904_100000183359 [0,2,0,0,0,0|2,0,0]=4 9252 B9R0.24 CNC(=O)COC(C)CO 34a_100000750040_100012180447 [0,2,0,0,0,0|2,0,0]=4 9253 B9R0.24 CNC(=O)CSC(C)C#N 62a_100000183359_100000703298 [0,2,0,0,0,0|2,0,0]=4 9254 B9R0.24 CNC(=O)CSC(C)C#N 62a_100000703298_100000183359 [0,2,0,0,0,0|2,0,0]=4 9255 B9R0.24 CNC(=O)CSC(C)CO 62a_100012180447_100000183359 [0,2,0,0,0,0|2,0,0]=4 9256 B9R0.24 CNC(=O)CSC(C)OC 62a_100000183359_100009879195 [0,2,0,0,0,0|2,0,0]=4 9257 B9R0.24 CNC(=O)CSC(C)OC 62a_100009879195_100000183359 [0,2,0,0,0,0|2,0,0]=4 9258 B9R0.24 CNC(=O)CS[C@H](C)CO 62a_100000183359_100016084084 [0,2,0,0,0,0|2,0,0]=4 9259 B9R0.24 CNC(=O)CS[C@H](C)CO 62a_100016084084_100000183359 [0,2,0,0,0,0|2,0,0]=4 9260 B9R0.24 CNC(=O)NCC(C)CO 2708a_100102657272_100000744482 [0,2,0,0,0,0|2,0,0]=4 9261 B9R0.24 CNC(=O)NCC(C)CO 273464a_100000744482_100102657272 [0,2,0,0,0,0|2,0,0]=4 9262 B9R0.24 CNC(=O)NCC(C)CO 273464a_100102657272_100000744482 [0,2,0,0,0,0|2,0,0]=4 9263 B9R0.24 CNC(=O)NCC(C)CO 512a_100000744482_100102657272 [0,2,0,0,0,0|2,0,0]=4 9264 B9R0.24 CNC(=O)NCC(C)CO 512a_106832991638_100000744482 [0,2,0,0,0,0|2,0,0]=4 9265 B9R0.24 CNC(=O)NC[C@@H](C)OC 2708a_100020591295_106832991635 [0,2,0,0,0,0|2,0,0]=4 9266 B9R0.24 CNC(=O)NC[C@@H](C)OC 2708a_100102657272_100020591295 [0,2,0,0,0,0|2,0,0]=4 9267 B9R0.24 CNC(=O)NC[C@@H](C)OC 273464a_100020591295_100102657272 [0,2,0,0,0,0|2,0,0]=4 9268 B9R0.24 CNC(=O)NC[C@@H](C)OC 273464a_100102657272_100020591295 [0,2,0,0,0,0|2,0,0]=4 9269 B9R0.24 CNC(=O)NC[C@@H](C)OC 512a_100020591295_100102657272 [0,2,0,0,0,0|2,0,0]=4 9270 B9R0.24 CNC(=O)NC[C@@H](C)OC 512a_106832991638_100020591295 [0,2,0,0,0,0|2,0,0]=4 9271 B9R0.24 CNC(=O)NC[C@@H](F)CO 2708a_100102657272_100015665980 [0,2,0,0,0,0|2,0,0]=4 9272 B9R0.24 CNC(=O)NC[C@@H](F)CO 273464a_100015665980_100102657272 [0,2,0,0,0,0|2,0,0]=4 9273 B9R0.24 CNC(=O)NC[C@@H](F)CO 273464a_100102657272_100015665980 [0,2,0,0,0,0|2,0,0]=4 9274 B9R0.24 CNC(=O)NC[C@@H](F)CO 512a_100015665980_100102657272 [0,2,0,0,0,0|2,0,0]=4 9275 B9R0.24 CNC(=O)NC[C@@H](F)CO 512a_106832991638_100015665980 [0,2,0,0,0,0|2,0,0]=4 9276 B9R0.24 CNC(=O)NC[C@H](O)CO 2708a_100102657272_100020644852 [0,2,0,0,0,0|2,0,0]=4 9277 B9R0.24 CNC(=O)NC[C@H](O)CO 273464a_100020644852_100102657272 [0,2,0,0,0,0|2,0,0]=4 9278 B9R0.24 CNC(=O)NC[C@H](O)CO 273464a_100102657272_100020644852 [0,2,0,0,0,0|2,0,0]=4 9279 B9R0.24 COC(=O)CCC(=O)CF 1458a_100000187943_100015361967 [0,2,0,0,0,0|1,0,1]=4 9280 B9R0.24 COC(=O)CCN(C)CF 269982a_100025711912_100015361967 [0,2,0,0,0,0|2,0,0]=4 9281 B9R0.24 COC(=O)CNC(C)C#N 2230a_100000737613_100000747449 [0,2,0,0,0,0|2,0,0]=4 9282 B9R0.24 COC(=O)CN[C@H](C)CO 2230a_100000737577_100000747449 [0,2,0,0,0,0|2,0,0]=4 9283 B9R0.24 COC(=O)COC(C)C#N 34a_100011218135_100000747449 [0,2,0,0,0,0|2,0,0]=4 9284 B9R0.24 COC(=O)COC(C)CF 34a_100016041109_100000747449 [0,2,0,0,0,0|2,0,0]=4 9285 B9R0.24 COC(=O)COC(C)CF 7a_100016041109_100000747449 [0,2,0,0,0,0|2,0,0]=4 9286 B9R0.24 COC(=O)COC(C)CN 34a_100000210904_100000747449 [0,2,0,0,0,0|2,0,0]=4 9287 B9R0.24 COC(=O)CSC(C)C#N 62a_100000703298_100000747449 [0,2,0,0,0,0|2,0,0]=4 9288 B9R0.24 COC(=O)CSC(C)C#N 62a_100000747449_100000703298 [0,2,0,0,0,0|2,0,0]=4 9289 B9R0.24 COC(=O)CSC(C)CO 62a_100012180447_100000747449 [0,2,0,0,0,0|2,0,0]=4 9290 B9R0.24 COC(=O)CSC(C)OC 62a_100000747449_100009879195 [0,2,0,0,0,0|2,0,0]=4 9291 B9R0.24 COC(=O)CSC(C)OC 62a_100009879195_100000747449 [0,2,0,0,0,0|2,0,0]=4 9292 B9R0.24 COC(=O)CS[C@H](C)CO 62a_100000747449_100016084084 [0,2,0,0,0,0|2,0,0]=4 9293 B9R0.24 COC(=O)CS[C@H](C)CO 62a_100016084084_100000747449 [0,2,0,0,0,0|2,0,0]=4 9294 B9R0.24 CO[C@H](C)CNC(=O)CO 240690a_100020591295_100000210174 [0,2,0,0,0,0|2,0,0]=4 9295 B9R0.24 CO[C@H](C)CNC(=O)CO 527a_100020591295_100000210174 [0,2,0,0,0,0|2,0,0]=4 9296 B9R0.24 O=C(CO)NC[C@@H](F)CO 240690a_100015665980_100000210174 [0,2,0,0,0,0|2,0,0]=4 9297 B9R0.24 O=C(CO)NC[C@@H](F)CO 527a_100015665980_100000210174 [0,2,0,0,0,0|2,0,0]=4 9298 B9R0.24 O=C(CO)NC[C@H](O)CO 240690a_100020644852_100000210174 [0,2,0,0,0,0|2,0,0]=4 9299 B9R0.24 O=C(CO)NC[C@H](O)CO 527a_100020644852_100000210174 [0,2,0,0,0,0|2,0,0]=4 9300 B9R0.46 C#CC(=O)CC/C=C\CC 1458a_100000211873_100015370543 [0,2,0,0,0,0|0,0,2]=4 9301 B9R0.46 C#CC(=O)CCCCC#N 1458a_100000211873_100000211819 [0,2,0,0,0,0|0,0,2]=4 9302 B9R0.46 C#CC(=O)CCCCC=C 1458a_100000211873_100011215482 [0,2,0,0,0,0|0,0,2]=4 9303 B9R0.46 C#CC(=O)CCCCCC 1458a_100000211873_100000210757 [0,2,0,0,0,0|0,0,2]=4 9304 B9R0.46 C#CC(=O)CCCCCF 1458a_100000211873_100000729378 [0,2,0,0,0,0|0,0,2]=4 9305 B9R0.46 C#CC(=O)CCCCCO 1458a_100000211873_100000746330 [0,2,0,0,0,0|0,0,2]=4 9306 B9R0.46 C#CC(=O)CCCCOC 1458a_100000211873_100000755781 [0,2,0,0,0,0|0,0,2]=4 9307 B9R0.46 C#CC(=O)CCCOCC 1458a_100000211873_100012232248 [0,2,0,0,0,0|0,0,2]=4 9308 B9R0.46 C#CC(=O)CCOCCC 1458a_100000211873_100011215938 [0,2,0,0,0,0|0,0,2]=4 9309 B9R0.46 C#CC(=O)CCOCCO 1458a_100000211873_100011215305 [0,2,0,0,0,0|0,0,2]=4 9310 B9R0.46 C#CC(=O)COCCCC 1458a_100000211873_100011995733 [0,2,0,0,0,0|0,0,2]=4 9311 B9R0.46 C#CCCCCC(=O)C#C 1458a_100000211873_100010269958 [0,2,0,0,0,0|0,0,2]=4 9312 B9R0.46 C#CCCCCC(=O)C=C 1458a_100000185746_100010269958 [0,2,0,0,0,0|0,0,2]=4 9313 B9R0.46 C#CCCCCC(=O)CC 1458a_100000210414_100010269958 [0,2,0,0,0,0|0,0,0]=2 9314 B9R0.46 C#CCCCCC(=O)CC 1458a_100000696528_100000210202 [0,2,0,0,0,0|0,0,0]=2 9315 B9R0.46 C#CCCCCC(=O)CF 1458a_100000696528_100015361967 [0,2,0,0,0,0|1,0,0]=3 9316 B9R0.46 C#CCCCCC(=O)CO 1458a_100000210174_100010269958 [0,2,0,0,0,0|1,0,0]=3 9317 B9R0.46 C#CCCCCC(=O)NC 11a_106832991635_100000696528 [0,2,0,0,0,0|1,0,0]=3 9318 B9R0.46 C#CCCCCC(=O)NC 1626a_100102657272_100000696528 [0,2,0,0,0,0|1,0,0]=3 9319 B9R0.46 C#CCCCCC(=O)NC 240690a_100102657272_100000696528 [0,2,0,0,0,0|1,0,0]=3 9320 B9R0.46 C#CCCCCC(=O)NC 527a_100102657272_100000696528 [0,2,0,0,0,0|1,0,0]=3 9321 B9R0.46 C#CCCCCN(C)CC 2230a_100000225621_100010269958 [0,2,0,0,0,0|2,0,0]=4 9322 B9R0.46 C#CCCCCN(C)CC 269982a_100000225621_100010269958 [0,2,0,0,0,0|2,0,0]=4 9323 B9R0.46 C#CCCCNC(=O)CC 11a_100000718082_100000210414 [0,2,0,0,0,0|0,0,1]=3 9324 B9R0.46 C#CCCCNC(=O)CC 1626a_100000718082_100000210414 [0,2,0,0,0,0|0,0,1]=3 9325 B9R0.46 C#CCCCNC(=O)CC 240690a_100000718082_100000210414 [0,2,0,0,0,0|0,0,1]=3 9326 B9R0.46 C#CCCCNC(=O)CC 527a_100000718082_100000210414 [0,2,0,0,0,0|0,0,1]=3 9327 B9R0.46 C#CCCCNC(=O)CO 240690a_100000718082_100000210174 [0,2,0,0,0,0|1,0,1]=4 9328 B9R0.46 C#CCCCNC(=O)CO 527a_100000718082_100000210174 [0,2,0,0,0,0|1,0,1]=4 9329 B9R0.46 C#CCCCNC(=O)NC 2708a_100000718082_106832991635 [0,2,0,0,0,0|1,0,1]=4 9330 B9R0.46 C#CCCCNC(=O)NC 2708a_100102657272_100000718082 [0,2,0,0,0,0|1,0,1]=4 9331 B9R0.46 C#CCCCNC(=O)NC 273464a_100000718082_100102657272 [0,2,0,0,0,0|1,0,1]=4 9332 B9R0.46 C#CCCCNC(=O)NC 273464a_100102657272_100000718082 [0,2,0,0,0,0|1,0,1]=4 9333 B9R0.46 C#CCCCNC(=O)NC 512a_100000718082_100102657272 [0,2,0,0,0,0|1,0,1]=4 9334 B9R0.46 C#CCCCNC(=O)NC 512a_106832991638_100000718082 [0,2,0,0,0,0|1,0,1]=4 9335 B9R0.46 C#CCCNCC(=O)NC 2230a_100000693194_100000688953 [0,2,0,0,0,0|1,0,1]=4 9336 B9R0.46 C#CCCNCC(=O)NC 34a_100000755551_100000183359 [0,2,0,0,0,0|1,0,1]=4 9337 B9R0.46 C#CCCNCC(=O)OC 34a_100000755551_100000747449 [0,2,0,0,0,0|1,0,1]=4 9338 B9R0.46 C#CCCOCC(=O)CC 34a_100000725409_100000688953 [0,2,0,0,0,0|0,0,1]=3 9339 B9R0.46 C#CCCOCC(=O)NC 34a_100000750040_100000688953 [0,2,0,0,0,0|1,0,1]=4 9340 B9R0.46 C#CCCOCC(=O)NC 34a_100011215631_100000183359 [0,2,0,0,0,0|1,0,1]=4 9341 B9R0.46 C#CCCOCC(=O)OC 34a_100011215631_100000747449 [0,2,0,0,0,0|1,0,1]=4 9342 B9R0.46 C#CCCSCC(=O)CC 62a_100000688953_100000747405 [0,2,0,0,0,0|0,0,1]=3 9343 B9R0.46 C#CCCSCC(=O)CC 62a_100000747405_100000688953 [0,2,0,0,0,0|0,0,1]=3 9344 B9R0.46 C#CCCSCC(=O)NC 62a_100000183359_100000688953 [0,2,0,0,0,0|1,0,1]=4 9345 B9R0.46 C#CCCSCC(=O)NC 62a_100000688953_100000183359 [0,2,0,0,0,0|1,0,1]=4 9346 B9R0.46 C#CCCSCC(=O)OC 62a_100000688953_100000747449 [0,2,0,0,0,0|1,0,1]=4 9347 B9R0.46 C#CCCSCC(=O)OC 62a_100000747449_100000688953 [0,2,0,0,0,0|1,0,1]=4 9348 B9R0.46 C#CCNCCC(=O)NC 2230a_100000738227_100000038162 [0,2,0,0,0,0|1,0,1]=4 9349 B9R0.46 C#CCNCCC(=O)NC 34a_100000212058_100012179268 [0,2,0,0,0,0|1,0,1]=4 9350 B9R0.46 C#CCNCCC(=O)NC 34a_100000738227_100000184674 [0,2,0,0,0,0|1,0,1]=4 9351 B9R0.46 C#CCNCCC(=O)OC 34a_100000212058_100000742370 [0,2,0,0,0,0|1,0,1]=4 9352 B9R0.46 C#CCOCCC(=O)CC 1458a_100000210414_100010402529 [0,2,0,0,0,0|0,0,1]=3 9353 B9R0.46 C#CCOCCC(=O)CC 1458a_100000693358_100000210202 [0,2,0,0,0,0|0,0,1]=3 9354 B9R0.46 C#CCOCCC(=O)CF 1458a_100000693358_100015361967 [0,2,0,0,0,0|1,0,1]=4 9355 B9R0.46 C#CCOCCC(=O)CO 1458a_100000210174_100010402529 [0,2,0,0,0,0|1,0,1]=4 9356 B9R0.46 C#CCOCCC(=O)NC 11a_106832991635_100000693358 [0,2,0,0,0,0|1,0,1]=4 9357 B9R0.46 C#CCOCCC(=O)NC 1626a_100102657272_100000693358 [0,2,0,0,0,0|1,0,1]=4 9358 B9R0.46 C#CCOCCC(=O)NC 240690a_100102657272_100000693358 [0,2,0,0,0,0|1,0,1]=4 9359 B9R0.46 C#CCOCCC(=O)NC 34a_100000210247_100012179268 [0,2,0,0,0,0|1,0,1]=4 9360 B9R0.46 C#CCOCCC(=O)NC 34a_100000754576_100000184674 [0,2,0,0,0,0|1,0,1]=4 9361 B9R0.46 C#CCOCCC(=O)NC 527a_100102657272_100000693358 [0,2,0,0,0,0|1,0,1]=4 9362 B9R0.46 C#CCOCCC(=O)OC 34a_100000210247_100000742370 [0,2,0,0,0,0|1,0,1]=4 9363 B9R0.46 C#CCSCCC(=O)NC 62a_100000038162_100000737683 [0,2,0,0,0,0|1,0,1]=4 9364 B9R0.46 C#CCSCCC(=O)OC 62a_100000038162_100000204255 [0,2,0,0,0,0|1,0,1]=4 9365 B9R0.46 C/C=C/COCC(=O)CC 34a_100000725409_100102629194 [0,2,0,0,0,0|0,0,1]=3 9366 B9R0.46 C/C=C/COCC(=O)NC 34a_100000750040_100102629194 [0,2,0,0,0,0|1,0,1]=4 9367 B9R0.46 C/C=C/COCC(=O)NC 34a_100016270725_100000183359 [0,2,0,0,0,0|1,0,1]=4 9368 B9R0.46 C/C=C/COCC(=O)OC 34a_100016270725_100000747449 [0,2,0,0,0,0|1,0,1]=4 9369 B9R0.46 C/C=C/CSCC(=O)CC 62a_100000747405_100102629194 [0,2,0,0,0,0|0,0,1]=3 9370 B9R0.46 C/C=C/CSCC(=O)CC 62a_100102629194_100000747405 [0,2,0,0,0,0|0,0,1]=3 9371 B9R0.46 C/C=C/CSCC(=O)NC 62a_100000183359_100102629194 [0,2,0,0,0,0|1,0,1]=4 9372 B9R0.46 C/C=C/CSCC(=O)NC 62a_100102629194_100000183359 [0,2,0,0,0,0|1,0,1]=4 9373 B9R0.46 C/C=C/CSCC(=O)OC 62a_100000747449_100102629194 [0,2,0,0,0,0|1,0,1]=4 9374 B9R0.46 C/C=C/CSCC(=O)OC 62a_100102629194_100000747449 [0,2,0,0,0,0|1,0,1]=4 9375 B9R0.46 C=CC(=O)CC/C=C\CC 1458a_100000185746_100015370543 [0,2,0,0,0,0|0,0,2]=4 9376 B9R0.46 C=CC(=O)CCCCC#N 1458a_100000185746_100000211819 [0,2,0,0,0,0|0,0,2]=4 9377 B9R0.46 C=CC(=O)CCCCCC 1458a_100000185746_100000210757 [0,2,0,0,0,0|0,0,2]=4 9378 B9R0.46 C=CC(=O)CCCCCF 1458a_100000185746_100000729378 [0,2,0,0,0,0|0,0,2]=4 9379 B9R0.46 C=CC(=O)CCCCCO 1458a_100000185746_100000746330 [0,2,0,0,0,0|0,0,2]=4 9380 B9R0.46 C=CC(=O)CCCCOC 1458a_100000185746_100000755781 [0,2,0,0,0,0|0,0,2]=4 9381 B9R0.46 C=CC(=O)CCCOCC 1458a_100000185746_100012232248 [0,2,0,0,0,0|0,0,2]=4 9382 B9R0.46 C=CC(=O)CCOCCC 1458a_100000185746_100011215938 [0,2,0,0,0,0|0,0,2]=4 9383 B9R0.46 C=CC(=O)CCOCCO 1458a_100000185746_100011215305 [0,2,0,0,0,0|0,0,2]=4 9384 B9R0.46 C=CC(=O)COCCCC 1458a_100000185746_100011995733 [0,2,0,0,0,0|0,0,2]=4 9385 B9R0.46 C=CC(=O)NCCCCC 1626a_100000209983_100000185746 [0,2,0,0,0,0|0,0,2]=4 9386 B9R0.46 C=CC(=O)NCCCCC 240690a_100000209983_200121576911 [0,2,0,0,0,0|0,0,2]=4 9387 B9R0.46 C=CC(=O)NCCCCO 240690a_100000750430_200121576911 [0,2,0,0,0,0|0,0,2]=4 9388 B9R0.46 C=CC(=O)NCCCOC 1626a_100150723488_100000185746 [0,2,0,0,0,0|0,0,2]=4 9389 B9R0.46 C=CC(=O)NCCCOC 240690a_100150723488_200121576911 [0,2,0,0,0,0|0,0,2]=4 9390 B9R0.46 C=CC(=O)NCCCSC 1626a_100000749238_100000185746 [0,2,0,0,0,0|0,0,2]=4 9391 B9R0.46 C=CC(=O)NCCCSC 240690a_100000749238_200121576911 [0,2,0,0,0,0|0,0,2]=4 9392 B9R0.46 C=CC(=O)NCCNCC 2230a_114873766552_100000210202 [0,2,0,0,0,0|0,0,2]=4 9393 B9R0.46 C=CC(=O)NCCOCC 1626a_102516460346_100000185746 [0,2,0,0,0,0|0,0,2]=4 9394 B9R0.46 C=CC(=O)NCCOCC 240690a_100011200944_200121576911 [0,2,0,0,0,0|0,0,2]=4 9395 B9R0.46 C=CC(=O)NCCOCC 34a_100011304386_100000210202 [0,2,0,0,0,0|0,0,2]=4 9396 B9R0.46 C=CC(=O)NCCSCC 1626a_100000106463_100000185746 [0,2,0,0,0,0|0,0,2]=4 9397 B9R0.46 C=CC(=O)NCCSCC 240690a_100000106463_200121576911 [0,2,0,0,0,0|0,0,2]=4 9398 B9R0.46 C=CC(=O)NNCCCC 22a_100025702795_100000185746 [0,2,0,0,0,0|0,0,2]=4 9399 B9R0.46 C=CC(=O)OCCNCC 2230a_100015525214_100009813456 [0,2,0,0,0,0|0,0,2]=4 9400 B9R0.46 C=CC(=O)OCCOCC 34a_100121572206_100009813456 [0,2,0,0,0,0|0,0,2]=4 9401 B9R0.46 C=CC(=O)OCCSCC 62a_100000210202_100009813456 [0,2,0,0,0,0|0,0,2]=4 9402 B9R0.46 C=CC(=O)OCCSCC 62a_100009813456_100000210202 [0,2,0,0,0,0|0,0,2]=4 9403 B9R0.46 C=CCCCCC(=O)C=C 1458a_100000185746_100011215482 [0,2,0,0,0,0|0,0,2]=4 9404 B9R0.46 C=CCCCCC(=O)CC 1458a_100000210414_100011215482 [0,2,0,0,0,0|0,0,0]=2 9405 B9R0.46 C=CCCCCC(=O)CC 1458a_100011215552_100000210202 [0,2,0,0,0,0|0,0,0]=2 9406 B9R0.46 C=CCCCCC(=O)CF 1458a_100011215552_100015361967 [0,2,0,0,0,0|1,0,0]=3 9407 B9R0.46 C=CCCCCC(=O)CO 1458a_100000210174_100011215482 [0,2,0,0,0,0|1,0,0]=3 9408 B9R0.46 C=CCCCCC(=O)NC 11a_106832991635_100011215552 [0,2,0,0,0,0|1,0,0]=3 9409 B9R0.46 C=CCCCCC(=O)NC 1626a_100102657272_100011215552 [0,2,0,0,0,0|1,0,0]=3 9410 B9R0.46 C=CCCCCC(=O)NC 240690a_100102657272_100011215552 [0,2,0,0,0,0|1,0,0]=3 9411 B9R0.46 C=CCCCCC(=O)NC 527a_100102657272_100011215552 [0,2,0,0,0,0|1,0,0]=3 9412 B9R0.46 C=CCCCCN(C)CC 2230a_100000225621_100011215482 [0,2,0,0,0,0|2,0,0]=4 9413 B9R0.46 C=CCCCCN(C)CC 2230a_100012000471_100000210202 [0,2,0,0,0,0|2,0,0]=4 9414 B9R0.46 C=CCCCCN(C)CC 269982a_100000225621_100011215482 [0,2,0,0,0,0|2,0,0]=4 9415 B9R0.46 C=CCCCCN(C)CC 269982a_100012000471_100000204670 [0,2,0,0,0,0|2,0,0]=4 9416 B9R0.46 C=CCCCNC(=O)CC 11a_100000700776_100000210414 [0,2,0,0,0,0|0,0,1]=3 9417 B9R0.46 C=CCCCNC(=O)CC 1626a_100000700776_100000210414 [0,2,0,0,0,0|0,0,1]=3 9418 B9R0.46 C=CCCCNC(=O)CC 240690a_100000700776_100000210414 [0,2,0,0,0,0|0,0,1]=3 9419 B9R0.46 C=CCCCNC(=O)CC 527a_100000700776_100000210414 [0,2,0,0,0,0|0,0,1]=3 9420 B9R0.46 C=CCCCNC(=O)CO 240690a_100000700776_100000210174 [0,2,0,0,0,0|1,0,1]=4 9421 B9R0.46 C=CCCCNC(=O)CO 527a_100000700776_100000210174 [0,2,0,0,0,0|1,0,1]=4 9422 B9R0.46 C=CCCCNC(=O)NC 2708a_100000700776_106832991635 [0,2,0,0,0,0|1,0,1]=4 9423 B9R0.46 C=CCCCNC(=O)NC 2708a_100102657272_100000700776 [0,2,0,0,0,0|1,0,1]=4 9424 B9R0.46 C=CCCCNC(=O)NC 273464a_100000700776_100102657272 [0,2,0,0,0,0|1,0,1]=4 9425 B9R0.46 C=CCCCNC(=O)NC 273464a_100102657272_100000700776 [0,2,0,0,0,0|1,0,1]=4 9426 B9R0.46 C=CCCCNC(=O)NC 512a_100000700776_100102657272 [0,2,0,0,0,0|1,0,1]=4 9427 B9R0.46 C=CCCCNC(=O)NC 512a_106832991638_100000700776 [0,2,0,0,0,0|1,0,1]=4 9428 B9R0.46 C=CCCNCC(=O)NC 2230a_100000693194_100000754431 [0,2,0,0,0,0|1,0,1]=4 9429 B9R0.46 C=CCCNCC(=O)NC 2230a_100015191253_100000183359 [0,2,0,0,0,0|1,0,1]=4 9430 B9R0.46 C=CCCNCC(=O)OC 2230a_100015191253_100000747449 [0,2,0,0,0,0|1,0,1]=4 9431 B9R0.46 C=CCCOCC(=O)CC 34a_100000725409_100000754431 [0,2,0,0,0,0|0,0,1]=3 9432 B9R0.46 C=CCCOCC(=O)NC 34a_100000750040_100000754431 [0,2,0,0,0,0|1,0,1]=4 9433 B9R0.46 C=CCCOCC(=O)NC 34a_100011205117_100000183359 [0,2,0,0,0,0|1,0,1]=4 9434 B9R0.46 C=CCCOCC(=O)OC 34a_100011205117_100000747449 [0,2,0,0,0,0|1,0,1]=4 9435 B9R0.46 C=CCCSCC(=O)CC 62a_100000747405_100000754431 [0,2,0,0,0,0|0,0,1]=3 9436 B9R0.46 C=CCCSCC(=O)CC 62a_100000754431_100000747405 [0,2,0,0,0,0|0,0,1]=3 9437 B9R0.46 C=CCCSCC(=O)NC 62a_100000183359_100000754431 [0,2,0,0,0,0|1,0,1]=4 9438 B9R0.46 C=CCCSCC(=O)NC 62a_100000754431_100000183359 [0,2,0,0,0,0|1,0,1]=4 9439 B9R0.46 C=CCCSCC(=O)OC 62a_100000747449_100000754431 [0,2,0,0,0,0|1,0,1]=4 9440 B9R0.46 C=CCCSCC(=O)OC 62a_100000754431_100000747449 [0,2,0,0,0,0|1,0,1]=4 9441 B9R0.46 C=CCNCCC(=O)NC 2230a_100000738227_100000210623 [0,2,0,0,0,0|1,0,1]=4 9442 B9R0.46 C=CCNCCC(=O)NC 2230a_100020586998_100000737683 [0,2,0,0,0,0|1,0,1]=4 9443 B9R0.46 C=CCNCCC(=O)NC 34a_100000738227_100015514636 [0,2,0,0,0,0|1,0,1]=4 9444 B9R0.46 C=CCNCCC(=O)OC 2230a_100020586998_100000204255 [0,2,0,0,0,0|1,0,1]=4 9445 B9R0.46 C=CCOCCC(=O)CC 1458a_200011217002_100000210202 [0,2,0,0,0,0|0,0,1]=3 9446 B9R0.46 C=CCOCCC(=O)CF 1458a_200011217002_100015361967 [0,2,0,0,0,0|1,0,1]=4 9447 B9R0.46 C=CCOCCC(=O)NC 11a_106832991635_200011217002 [0,2,0,0,0,0|1,0,1]=4 9448 B9R0.46 C=CCOCCC(=O)NC 1626a_100102657272_200011217002 [0,2,0,0,0,0|1,0,1]=4 9449 B9R0.46 C=CCOCCC(=O)NC 240690a_100102657272_200011217002 [0,2,0,0,0,0|1,0,1]=4 9450 B9R0.46 C=CCOCCC(=O)NC 34a_100000754576_100015514636 [0,2,0,0,0,0|1,0,1]=4 9451 B9R0.46 C=CCOCCC(=O)NC 34a_200000210373_100012179268 [0,2,0,0,0,0|1,0,1]=4 9452 B9R0.46 C=CCOCCC(=O)NC 527a_100102657272_200011217002 [0,2,0,0,0,0|1,0,1]=4 9453 B9R0.46 C=CCOCCC(=O)OC 34a_200000210373_100000742370 [0,2,0,0,0,0|1,0,1]=4 9454 B9R0.46 C=CCSCCC(=O)NC 62a_100000210623_100000737683 [0,2,0,0,0,0|1,0,1]=4 9455 B9R0.46 C=CCSCCC(=O)NC 62a_100000737683_100000210623 [0,2,0,0,0,0|1,0,1]=4 9456 B9R0.46 C=CCSCCC(=O)OC 62a_100000204255_100000210623 [0,2,0,0,0,0|1,0,1]=4 9457 B9R0.46 C=CCSCCC(=O)OC 62a_100000210623_100000204255 [0,2,0,0,0,0|1,0,1]=4 9458 B9R0.46 CC#CCNCC(=O)NC 2230a_100000685387_100000183359 [0,2,0,0,0,0|1,0,1]=4 9459 B9R0.46 CC#CCNCC(=O)NC 2230a_100000693194_100000748600 [0,2,0,0,0,0|1,0,1]=4 9460 B9R0.46 CC#CCNCC(=O)NC 34a_100000685387_100000183359 [0,2,0,0,0,0|1,0,1]=4 9461 B9R0.46 CC#CCNCC(=O)OC 2230a_100000685387_100000747449 [0,2,0,0,0,0|1,0,1]=4 9462 B9R0.46 CC#CCNCC(=O)OC 34a_100000685387_100000747449 [0,2,0,0,0,0|1,0,1]=4 9463 B9R0.46 CC#CCOCC(=O)CC 34a_100000725409_100000748600 [0,2,0,0,0,0|0,0,1]=3 9464 B9R0.46 CC#CCOCC(=O)NC 34a_100000750040_100000748600 [0,2,0,0,0,0|1,0,1]=4 9465 B9R0.46 CC#CCOCC(=O)NC 34a_100000761923_100000183359 [0,2,0,0,0,0|1,0,1]=4 9466 B9R0.46 CC#CCOCC(=O)OC 34a_100000761923_100000747449 [0,2,0,0,0,0|1,0,1]=4 9467 B9R0.46 CC#CCSCC(=O)CC 62a_100000747405_100000748600 [0,2,0,0,0,0|0,0,1]=3 9468 B9R0.46 CC#CCSCC(=O)CC 62a_100000748600_100000747405 [0,2,0,0,0,0|0,0,1]=3 9469 B9R0.46 CC#CCSCC(=O)NC 62a_100000183359_100000748600 [0,2,0,0,0,0|1,0,1]=4 9470 B9R0.46 CC#CCSCC(=O)NC 62a_100000748600_100000183359 [0,2,0,0,0,0|1,0,1]=4 9471 B9R0.46 CC#CCSCC(=O)OC 62a_100000747449_100000748600 [0,2,0,0,0,0|1,0,1]=4 9472 B9R0.46 CC#CCSCC(=O)OC 62a_100000748600_100000747449 [0,2,0,0,0,0|1,0,1]=4 9473 B9R0.46 CC/C=C\CCC(=O)CC 1458a_100000210414_100015370543 [0,2,0,0,0,0|0,0,0]=2 9474 B9R0.46 CC/C=C\CCC(=O)CO 1458a_100000210174_100015370543 [0,2,0,0,0,0|1,0,0]=3 9475 B9R0.46 CC/C=C\CCN(C)CC 2230a_100000225621_100015370543 [0,2,0,0,0,0|2,0,0]=4 9476 B9R0.46 CC/C=C\CCN(C)CC 269982a_100000225621_100015370543 [0,2,0,0,0,0|2,0,0]=4 9477 B9R0.46 CC=CCNCC(=O)NC 2230a_100000693194_100000070051 [0,2,0,0,0,0|1,0,1]=4 9478 B9R0.46 CC=CCOCC(=O)CC 34a_100000725409_100000070051 [0,2,0,0,0,0|0,0,1]=3 9479 B9R0.46 CC=CCOCC(=O)NC 34a_100000750040_100000070051 [0,2,0,0,0,0|1,0,1]=4 9480 B9R0.46 CC=CCSCC(=O)CC 62a_100000070051_100000747405 [0,2,0,0,0,0|0,0,1]=3 9481 B9R0.46 CC=CCSCC(=O)CC 62a_100000747405_100000070051 [0,2,0,0,0,0|0,0,1]=3 9482 B9R0.46 CC=CCSCC(=O)NC 62a_100000070051_100000183359 [0,2,0,0,0,0|1,0,1]=4 9483 B9R0.46 CC=CCSCC(=O)NC 62a_100000183359_100000070051 [0,2,0,0,0,0|1,0,1]=4 9484 B9R0.46 CC=CCSCC(=O)OC 62a_100000070051_100000747449 [0,2,0,0,0,0|1,0,1]=4 9485 B9R0.46 CC=CCSCC(=O)OC 62a_100000747449_100000070051 [0,2,0,0,0,0|1,0,1]=4 9486 B9R0.46 CCC(=O)CCCCC#N 1458a_100000210414_100000211819 [0,2,0,0,0,0|0,0,0]=2 9487 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [0,2,0,0,0,0|0,0,0]=2 9488 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [0,2,0,0,0,0|0,0,0]=2 9489 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [0,2,0,0,0,0|0,0,0]=2 9490 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [0,2,0,0,0,0|0,0,0]=2 9491 B9R0.46 CCC(=O)CCCN=[N+]=[N-] 1458a_100010262590_100000210202 [0,2,0,0,0,0|1,0,0]=3 9492 B9R0.46 CCC(=O)CCOCC#N 1458a_100000210414_200000047693 [0,2,0,0,0,0|0,0,1]=3 9493 B9R0.46 CCC(=O)CCOCCO 1458a_100000210414_100011215305 [0,2,0,0,0,0|0,0,0]=2 9494 B9R0.46 CCC(=O)CCOCCO 1458a_100011229844_100000210202 [0,2,0,0,0,0|0,0,0]=2 9495 B9R0.46 CCC(=O)COCCCF 34a_100000725409_100011934791 [0,2,0,0,0,0|0,0,0]=2 9496 B9R0.46 CCC(=O)COCCCO 34a_100000725409_100000230001 [0,2,0,0,0,0|0,0,0]=2 9497 B9R0.46 CCC(=O)COCCOC 1458a_100000211095_100000210202 [0,2,0,0,0,0|0,0,0]=2 9498 B9R0.46 CCC(=O)COCCOC 34a_100000725409_100011201679 [0,2,0,0,0,0|0,0,0]=2 9499 B9R0.46 CCC(=O)COCCSC 34a_100000725409_100000212216 [0,2,0,0,0,0|0,0,0]=2 9500 B9R0.46 CCC(=O)COCCSC 7a_100000230434_100000747405 [0,2,0,0,0,0|0,0,0]=2 9501 B9R0.46 CCC(=O)CSCCC#N 62a_100000747405_100011215226 [0,2,0,0,0,0|0,0,1]=3 9502 B9R0.46 CCC(=O)CSCCC#N 62a_100011215226_100000747405 [0,2,0,0,0,0|0,0,1]=3 9503 B9R0.46 CCC(=O)CSCCCF 62a_100000747405_100011934791 [0,2,0,0,0,0|0,0,0]=2 9504 B9R0.46 CCC(=O)CSCCCF 62a_100011934791_100000747405 [0,2,0,0,0,0|0,0,0]=2 9505 B9R0.46 CCC(=O)CSCCCO 62a_100000747405_100011215043 [0,2,0,0,0,0|0,0,0]=2 9506 B9R0.46 CCC(=O)CSCCCO 62a_100011215043_100000747405 [0,2,0,0,0,0|0,0,0]=2 9507 B9R0.46 CCC(=O)CSCCOC 62a_100000233755_100000747405 [0,2,0,0,0,0|0,0,0]=2 9508 B9R0.46 CCC(=O)CSCCOC 62a_100000747405_100000233755 [0,2,0,0,0,0|0,0,0]=2 9509 B9R0.46 CCC(=O)CSCCSC 62a_100000212216_100000747405 [0,2,0,0,0,0|0,0,0]=2 9510 B9R0.46 CCC(=O)CSCCSC 62a_100000747405_100000751147 [0,2,0,0,0,0|0,0,0]=2 9511 B9R0.46 CCC(=O)CSCSC#N 62a_100000211825_100000747405 [0,2,0,0,0,0|1,0,1]=4 9512 B9R0.46 CCC(=O)CSCSC#N 62a_100000747405_100000211825 [0,2,0,0,0,0|1,0,1]=4 9513 B9R0.46 CCC(=O)NCCCCO 240690a_100000750430_100000210414 [0,2,0,0,0,0|0,0,0]=2 9514 B9R0.46 CCC(=O)NCCCCO 527a_100000750430_100000210414 [0,2,0,0,0,0|0,0,0]=2 9515 B9R0.46 CCC(=O)NCCCOC 1626a_100150723488_100000210414 [0,2,0,0,0,0|0,0,0]=2 9516 B9R0.46 CCC(=O)NCCCOC 240690a_100150723488_100000210414 [0,2,0,0,0,0|0,0,0]=2 9517 B9R0.46 CCC(=O)NCCCOC 527a_100150723488_100000210414 [0,2,0,0,0,0|0,0,0]=2 9518 B9R0.46 CCC(=O)NCCCSC 11a_100000749238_100000210414 [0,2,0,0,0,0|0,0,0]=2 9519 B9R0.46 CCC(=O)NCCCSC 1626a_100000749238_100000210414 [0,2,0,0,0,0|0,0,0]=2 9520 B9R0.46 CCC(=O)NCCCSC 240690a_100000749238_100000210414 [0,2,0,0,0,0|0,0,0]=2 9521 B9R0.46 CCC(=O)NCCCSC 527a_100000749238_100000210414 [0,2,0,0,0,0|0,0,0]=2 9522 B9R0.46 CCC(=O)NCCNCF 34a_100132302217_100015361967 [0,2,0,0,0,0|1,0,0]=3 9523 B9R0.46 CCC(=O)NCCOCF 34a_200000158885_100015361967 [0,2,0,0,0,0|1,0,0]=3 9524 B9R0.46 CCC(=O)NCCOCF 7a_200000158885_100015361967 [0,2,0,0,0,0|1,0,0]=3 9525 B9R0.46 CCC(=O)NNCCC#N 22a_100000229987_100000210414 [0,2,0,0,0,0|1,0,1]=4 9526 B9R0.46 CCC(=O)NNCCOC 22a_100000741390_100000210414 [0,2,0,0,0,0|1,0,0]=3 9527 B9R0.46 CCC(=O)OCCOCF 7a_200000031056_100015361967 [0,2,0,0,0,0|1,0,0]=3 9528 B9R0.46 CCC(C)CCCOCF 7a_100011216074_100015361967 [0,2,0,0,0,0|1,0,1]=4 9529 B9R0.46 CCC(C)CCNCCF 2230a_100020591266_100011217306 [0,2,0,0,0,0|1,0,1]=4 9530 B9R0.46 CCC(C)CCNCCO 2230a_100020591266_100000211926 [0,2,0,0,0,0|1,0,1]=4 9531 B9R0.46 CCC(C)CCNCOC 2230a_100020591266_100000766300 [0,2,0,0,0,0|1,0,1]=4 9532 B9R0.46 CCC(C)CCNCSC 2230a_100020591266_100011218213 [0,2,0,0,0,0|1,0,1]=4 9533 B9R0.46 CCC(C)CCOCCF 7a_100011215188_100011217306 [0,2,0,0,0,0|1,0,1]=4 9534 B9R0.46 CCC(C)CCOCCO 7a_100011215188_100000211926 [0,2,0,0,0,0|1,0,1]=4 9535 B9R0.46 CCC(C)CNCCCF 2230a_100015189416_100000748023 [0,2,0,0,0,0|1,0,1]=4 9536 B9R0.46 CCC(C)CNCCCF 2230a_100020588543_100011934791 [0,2,0,0,0,0|1,0,1]=4 9537 B9R0.46 CCC(C)CNCCCF 270004a_100015189416_100000243153 [0,2,0,0,0,0|1,0,1]=4 9538 B9R0.46 CCC(C)CNCCCF 34a_100015189416_100000748023 [0,2,0,0,0,0|1,0,1]=4 9539 B9R0.46 CCC(C)CNCCCO 2230a_100020588543_100000230001 [0,2,0,0,0,0|1,0,1]=4 9540 B9R0.46 CCC(C)CNCCCO 270004a_100000182051_100000243153 [0,2,0,0,0,0|1,0,1]=4 9541 B9R0.46 CCC(C)CNCCOC 2230a_100000209980_100000748023 [0,2,0,0,0,0|1,0,1]=4 9542 B9R0.46 CCC(C)CNCCOC 2230a_100020588543_100011201679 [0,2,0,0,0,0|1,0,1]=4 9543 B9R0.46 CCC(C)CNCCOC 270004a_100000209980_100000243153 [0,2,0,0,0,0|1,0,1]=4 9544 B9R0.46 CCC(C)CNCCSC 2230a_100020588543_100000751147 [0,2,0,0,0,0|1,0,1]=4 9545 B9R0.46 CCC(C)CNCCSC 2230a_100020590264_100000748023 [0,2,0,0,0,0|1,0,1]=4 9546 B9R0.46 CCC(C)CNCCSC 270004a_100020590264_100000243153 [0,2,0,0,0,0|1,0,1]=4 9547 B9R0.46 CCC(C)COCCCBr 34a_100011217188_100000748023 [0,2,0,0,0,0|1,0,1]=4 9548 B9R0.46 CCC(C)COCCCCl 34a_100000230001_100000748023 [0,2,0,0,0,0|1,0,1]=4 9549 B9R0.46 CCC(C)COCCCF 34a_100000759539_100000748023 [0,2,0,0,0,0|1,0,1]=4 9550 B9R0.46 CCC(C)COCCCN 34a_100000182051_100000748023 [0,2,0,0,0,0|1,0,1]=4 9551 B9R0.46 CCC(C)COCCOC 34a_100000210237_100000748023 [0,2,0,0,0,0|1,0,1]=4 9552 B9R0.46 CCC(C)COCCSC 34a_100000230434_100000748023 [0,2,0,0,0,0|1,0,1]=4 9553 B9R0.46 CCC(C)COCCSC 7a_100000230434_100000748023 [0,2,0,0,0,0|1,0,1]=4 9554 B9R0.46 CCC(C)CSCCCF 62a_100000748023_100011934791 [0,2,0,0,0,0|1,0,1]=4 9555 B9R0.46 CCC(C)CSCCCF 62a_100011934791_100000748023 [0,2,0,0,0,0|1,0,1]=4 9556 B9R0.46 CCC(C)CSCCCO 62a_100000748023_100011215043 [0,2,0,0,0,0|1,0,1]=4 9557 B9R0.46 CCC(C)CSCCCO 62a_100011215043_100000748023 [0,2,0,0,0,0|1,0,1]=4 9558 B9R0.46 CCC(C)CSCCOC 62a_100000233755_100000748023 [0,2,0,0,0,0|1,0,1]=4 9559 B9R0.46 CCC(C)CSCCOC 62a_100000748023_100000233755 [0,2,0,0,0,0|1,0,1]=4 9560 B9R0.46 CCC(C)CSCCSC 62a_100000212216_100000748023 [0,2,0,0,0,0|1,0,1]=4 9561 B9R0.46 CCC(C)CSCCSC 62a_100000748023_100000751147 [0,2,0,0,0,0|1,0,1]=4 9562 B9R0.46 CCC(C)NCCCCF 2230a_100000209981_100000729493 [0,2,0,0,0,0|1,0,1]=4 9563 B9R0.46 CCC(C)NCCCCO 2230a_100000209981_100000210776 [0,2,0,0,0,0|1,0,1]=4 9564 B9R0.46 CCC(C)NCCCCO 2230a_100000750430_100000758301 [0,2,0,0,0,0|1,0,1]=4 9565 B9R0.46 CCC(C)NCCCCO 34a_100000750430_100011215416 [0,2,0,0,0,0|1,0,1]=4 9566 B9R0.46 CCC(C)NCCCOC 2230a_100000209981_100000740836 [0,2,0,0,0,0|1,0,1]=4 9567 B9R0.46 CCC(C)NCCCOC 34a_100150723488_100011215416 [0,2,0,0,0,0|1,0,1]=4 9568 B9R0.46 CCC(C)NCCCSC 2230a_100000749238_100000758301 [0,2,0,0,0,0|1,0,1]=4 9569 B9R0.46 CCC(C)OCCCCBr 34a_100011216708_100011215416 [0,2,0,0,0,0|1,0,1]=4 9570 B9R0.46 CCC(C)OCCCCCl 34a_100000210776_100011215416 [0,2,0,0,0,0|1,0,1]=4 9571 B9R0.46 CCC(C)OCCCCCl 7a_100000210776_100000758301 [0,2,0,0,0,0|1,0,1]=4 9572 B9R0.46 CCC(C)OCCCCF 34a_100011995726_100011215416 [0,2,0,0,0,0|1,0,1]=4 9573 B9R0.46 CCC(C)OCCCCF 7a_100000210228_100000729493 [0,2,0,0,0,0|1,0,1]=4 9574 B9R0.46 CCC(C)OCCCCF 7a_100011995726_100000758301 [0,2,0,0,0,0|1,0,1]=4 9575 B9R0.46 CCC(C)OCCCCI 34a_200012148704_100011215416 [0,2,0,0,0,0|1,0,1]=4 9576 B9R0.46 CCC(C)OCCCCN 34a_100000750430_100011215416 [0,2,0,0,0,0|1,0,1]=4 9577 B9R0.46 CCC(C)OCCCCO 7a_100000210228_100000210776 [0,2,0,0,0,0|1,0,1]=4 9578 B9R0.46 CCC(C)OCCCNC 34a_100000213112_100011215416 [0,2,0,0,0,0|1,0,1]=4 9579 B9R0.46 CCC(C)OCCCOC 34a_100000740835_100011215416 [0,2,0,0,0,0|1,0,1]=4 9580 B9R0.46 CCC(C)OCCCOC 7a_100000210228_100000740836 [0,2,0,0,0,0|1,0,1]=4 9581 B9R0.46 CCC(C)OCCCSC 34a_100000690336_100011215416 [0,2,0,0,0,0|1,0,1]=4 9582 B9R0.46 CCC(C)OCCCSC 7a_100000690336_100000758301 [0,2,0,0,0,0|1,0,1]=4 9583 B9R0.46 CCC(C)SCCCCF 62a_100000729493_100000758301 [0,2,0,0,0,0|1,0,1]=4 9584 B9R0.46 CCC(C)SCCCCF 62a_100000758301_100000729493 [0,2,0,0,0,0|1,0,1]=4 9585 B9R0.46 CCC(C)SCCCCO 62a_100000210776_100000758301 [0,2,0,0,0,0|1,0,1]=4 9586 B9R0.46 CCC(C)SCCCCO 62a_100000758301_100000210776 [0,2,0,0,0,0|1,0,1]=4 9587 B9R0.46 CCC(C)SCCCOC 62a_100000709357_100000758301 [0,2,0,0,0,0|1,0,1]=4 9588 B9R0.46 CCC(C)SCCCOC 62a_100000758301_100000709357 [0,2,0,0,0,0|1,0,1]=4 9589 B9R0.46 CCC(O)CNCCCF 2230a_100011218483_100011934791 [0,2,0,0,0,0|0,0,2]=4 9590 B9R0.46 CCC(O)CNCCCF 2230a_100015189416_100011218378 [0,2,0,0,0,0|0,0,2]=4 9591 B9R0.46 CCC(O)CNCCCF 34a_100015189416_100011218378 [0,2,0,0,0,0|0,0,2]=4 9592 B9R0.46 CCC(O)CNCCCO 2230a_100011218483_100000230001 [0,2,0,0,0,0|0,0,2]=4 9593 B9R0.46 CCC(O)CNCCOC 2230a_100000209980_100011218378 [0,2,0,0,0,0|0,0,2]=4 9594 B9R0.46 CCC(O)CNCCOC 2230a_100011218483_100011201679 [0,2,0,0,0,0|0,0,2]=4 9595 B9R0.46 CCC(O)CNCCSC 2230a_100011218483_100000751147 [0,2,0,0,0,0|0,0,2]=4 9596 B9R0.46 CCC(O)CNCCSC 2230a_100020590264_100011218378 [0,2,0,0,0,0|0,0,2]=4 9597 B9R0.46 CCC(O)COCCCBr 34a_100011217188_100011218378 [0,2,0,0,0,0|0,0,2]=4 9598 B9R0.46 CCC(O)COCCCCl 34a_100000230001_100011218378 [0,2,0,0,0,0|0,0,2]=4 9599 B9R0.46 CCC(O)COCCCF 34a_100000759539_100011218378 [0,2,0,0,0,0|0,0,2]=4 9600 B9R0.46 CCC(O)COCCCN 34a_100000182051_100011218378 [0,2,0,0,0,0|0,0,2]=4 9601 B9R0.46 CCC(O)COCCOC 34a_100000210237_100011218378 [0,2,0,0,0,0|0,0,2]=4 9602 B9R0.46 CCC(O)COCCSC 34a_100000230434_100011218378 [0,2,0,0,0,0|0,0,2]=4 9603 B9R0.46 CCC(O)COCCSC 7a_100000230434_100011218378 [0,2,0,0,0,0|0,0,2]=4 9604 B9R0.46 CCC(O)CSCCCF 62a_100011218378_100011934791 [0,2,0,0,0,0|0,0,2]=4 9605 B9R0.46 CCC(O)CSCCCF 62a_100011934791_100011218378 [0,2,0,0,0,0|0,0,2]=4 9606 B9R0.46 CCC(O)CSCCCO 62a_100011215043_100011218378 [0,2,0,0,0,0|0,0,2]=4 9607 B9R0.46 CCC(O)CSCCCO 62a_100011218378_100011215043 [0,2,0,0,0,0|0,0,2]=4 9608 B9R0.46 CCC(O)CSCCOC 62a_100000233755_100011218378 [0,2,0,0,0,0|0,0,2]=4 9609 B9R0.46 CCC(O)CSCCOC 62a_100011218378_100000233755 [0,2,0,0,0,0|0,0,2]=4 9610 B9R0.46 CCC(O)CSCCSC 62a_100000212216_100011218378 [0,2,0,0,0,0|0,0,2]=4 9611 B9R0.46 CCC(O)CSCCSC 62a_100011218378_100000751147 [0,2,0,0,0,0|0,0,2]=4 9612 B9R0.46 CCC/C=C/CC(=O)CC 1458a_200016266809_100000210202 [0,2,0,0,0,0|0,0,0]=2 9613 B9R0.46 CCC/C=C/CC(=O)CF 1458a_200016266809_100015361967 [0,2,0,0,0,0|1,0,0]=3 9614 B9R0.46 CCC/C=C/CC(=O)NC 11a_106832991635_200016266809 [0,2,0,0,0,0|1,0,0]=3 9615 B9R0.46 CCC/C=C/CC(=O)NC 1626a_100102657272_200016266809 [0,2,0,0,0,0|1,0,0]=3 9616 B9R0.46 CCC/C=C/CC(=O)NC 240690a_100102657272_200016266809 [0,2,0,0,0,0|1,0,0]=3 9617 B9R0.46 CCC/C=C/CC(=O)NC 527a_100102657272_200016266809 [0,2,0,0,0,0|1,0,0]=3 9618 B9R0.46 CCCC=NNC(=O)CC 4a_100000183195_100000185831 [0,2,0,0,0,0|0,0,1]=3 9619 B9R0.46 CCCCC=CC(=O)CC 1458a_100016266645_100000210202 [0,2,0,0,0,0|0,0,0]=2 9620 B9R0.46 CCCCC=CC(=O)CF 1458a_100016266645_100015361967 [0,2,0,0,0,0|1,0,0]=3 9621 B9R0.46 CCCCC=CC(=O)NC 11a_106832991635_100016266645 [0,2,0,0,0,0|1,0,0]=3 9622 B9R0.46 CCCCC=CC(=O)NC 1626a_100102657272_100016266645 [0,2,0,0,0,0|1,0,0]=3 9623 B9R0.46 CCCCC=CC(=O)NC 240690a_100102657272_100016266645 [0,2,0,0,0,0|1,0,0]=3 9624 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [0,2,0,0,0,0|0,0,0]=2 9625 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [0,2,0,0,0,0|0,0,0]=2 9626 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [0,2,0,0,0,0|1,0,0]=3 9627 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [0,2,0,0,0,0|1,0,0]=3 9628 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [0,2,0,0,0,0|1,0,0]=3 9629 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [0,2,0,0,0,0|1,0,0]=3 9630 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [0,2,0,0,0,0|1,0,0]=3 9631 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [0,2,0,0,0,0|1,0,0]=3 9632 B9R0.46 CCCCCCN(C)CC 2230a_100000225621_100000210314 [0,2,0,0,0,0|2,0,0]=4 9633 B9R0.46 CCCCCCN(C)CC 2230a_106256046315_100000210202 [0,2,0,0,0,0|2,0,0]=4 9634 B9R0.46 CCCCCCN(C)CC 269982a_100000225621_100000210757 [0,2,0,0,0,0|2,0,0]=4 9635 B9R0.46 CCCCCCN(C)CC 269982a_106256046315_100000204670 [0,2,0,0,0,0|2,0,0]=4 9636 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [0,2,0,0,0,0|0,0,0]=2 9637 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [0,2,0,0,0,0|0,0,0]=2 9638 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [0,2,0,0,0,0|0,0,0]=2 9639 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [0,2,0,0,0,0|0,0,0]=2 9640 B9R0.46 CCCCCNC(=O)CO 240690a_100000209983_100000210174 [0,2,0,0,0,0|1,0,0]=3 9641 B9R0.46 CCCCCNC(=O)CO 527a_100000209983_100000210174 [0,2,0,0,0,0|1,0,0]=3 9642 B9R0.46 CCCCCNC(=O)NC 2708a_100000209983_106832991635 [0,2,0,0,0,0|1,0,0]=3 9643 B9R0.46 CCCCCNC(=O)NC 2708a_100102657272_100000209983 [0,2,0,0,0,0|1,0,0]=3 9644 B9R0.46 CCCCCNC(=O)NC 273464a_100000209983_100102657272 [0,2,0,0,0,0|1,0,0]=3 9645 B9R0.46 CCCCCNC(=O)NC 273464a_100102657272_100000209983 [0,2,0,0,0,0|1,0,0]=3 9646 B9R0.46 CCCCCNC(=O)NC 512a_100000209983_100102657272 [0,2,0,0,0,0|1,0,0]=3 9647 B9R0.46 CCCCCNC(=O)NC 512a_106832991638_100000209983 [0,2,0,0,0,0|1,0,0]=3 9648 B9R0.46 CCCCCNC(C)CC 2230a_100000209981_100000210326 [0,2,0,0,0,0|1,0,1]=4 9649 B9R0.46 CCCCCNC(C)CC 2230a_100000209983_100000758301 [0,2,0,0,0,0|1,0,1]=4 9650 B9R0.46 CCCCCOC(C)CC 34a_100000210253_100011215416 [0,2,0,0,0,0|1,0,1]=4 9651 B9R0.46 CCCCCOC(C)CC 7a_100000210228_100000210326 [0,2,0,0,0,0|1,0,1]=4 9652 B9R0.46 CCCCCOC(C)CC 7a_100000210253_100000758301 [0,2,0,0,0,0|1,0,1]=4 9653 B9R0.46 CCCCCSC(C)CC 62a_100000210326_100000758301 [0,2,0,0,0,0|1,0,1]=4 9654 B9R0.46 CCCCCSC(C)CC 62a_100000758301_100000210326 [0,2,0,0,0,0|1,0,1]=4 9655 B9R0.46 CCCCNCC(=O)CC 7a_106832991798_100000747405 [0,2,0,0,0,0|0,0,0]=2 9656 B9R0.46 CCCCNCC(=O)NC 2230a_100000102301_100000183359 [0,2,0,0,0,0|1,0,0]=3 9657 B9R0.46 CCCCNCC(=O)NC 2230a_100000693194_100000210211 [0,2,0,0,0,0|1,0,0]=3 9658 B9R0.46 CCCCNCC(=O)NC 7a_106832991798_100000183359 [0,2,0,0,0,0|1,0,0]=3 9659 B9R0.46 CCCCNCC(=O)OC 2230a_100000102301_100000747449 [0,2,0,0,0,0|1,0,0]=3 9660 B9R0.46 CCCCNCC(=O)OC 7a_106832991798_100000747449 [0,2,0,0,0,0|1,0,0]=3 9661 B9R0.46 CCCCNCC(C)CC 2230a_100000102301_100000748023 [0,2,0,0,0,0|1,0,1]=4 9662 B9R0.46 CCCCNCC(C)CC 2230a_100020588543_100000210211 [0,2,0,0,0,0|1,0,1]=4 9663 B9R0.46 CCCCNCC(C)CC 270004a_100000102301_100000243153 [0,2,0,0,0,0|1,0,1]=4 9664 B9R0.46 CCCCNCC(C)CC 7a_106832991798_100000748023 [0,2,0,0,0,0|1,0,1]=4 9665 B9R0.46 CCCCNCC(O)CC 2230a_100000102301_100011218378 [0,2,0,0,0,0|0,0,2]=4 9666 B9R0.46 CCCCNCC(O)CC 2230a_100011218483_100000210211 [0,2,0,0,0,0|0,0,2]=4 9667 B9R0.46 CCCCNCC(O)CC 7a_106832991798_100011218378 [0,2,0,0,0,0|0,0,2]=4 9668 B9R0.46 CCCCNC[C@@H](C)CC 2230a_100000102301_100009816398 [0,2,0,0,0,0|1,0,1]=4 9669 B9R0.46 CCCCNC[C@@H](C)CC 7a_106832991798_100009816398 [0,2,0,0,0,0|1,0,1]=4 9670 B9R0.46 CCCCNN=C(C)CF 4a_100025702795_100000039719 [0,2,0,0,0,0|2,0,0]=4 9671 B9R0.46 CCCCNN=C(C)CO 4a_100025702795_100000211253 [0,2,0,0,0,0|2,0,0]=4 9672 B9R0.46 CCCCNNC(=O)CC 22a_100025702795_100000210414 [0,2,0,0,0,0|0,0,0]=2 9673 B9R0.46 CCCCNNC(=O)CO 22a_100025702795_100000210174 [0,2,0,0,0,0|1,0,0]=3 9674 B9R0.46 CCCCNNC(=O)NC 273464a_100102657272_100025702795 [0,2,0,0,0,0|1,0,0]=3 9675 B9R0.46 CCCCNNC(=O)NC 512a_100025702795_100102657272 [0,2,0,0,0,0|1,0,0]=3 9676 B9R0.46 CCCCNNC(=O)NC 512a_106832991638_100025702795 [0,2,0,0,0,0|1,0,0]=3 9677 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [0,2,0,0,0,0|0,0,0]=2 9678 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [0,2,0,0,0,0|0,0,0]=2 9679 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [0,2,0,0,0,0|0,0,0]=2 9680 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [0,2,0,0,0,0|0,0,0]=2 9681 B9R0.46 CCCCOCC(=O)CF 1458a_100000757543_100015361967 [0,2,0,0,0,0|1,0,0]=3 9682 B9R0.46 CCCCOCC(=O)CO 1458a_100000210174_100011995733 [0,2,0,0,0,0|1,0,0]=3 9683 B9R0.46 CCCCOCC(=O)NC 11a_106832991635_100000757543 [0,2,0,0,0,0|1,0,0]=3 9684 B9R0.46 CCCCOCC(=O)NC 1626a_100102657272_100000757543 [0,2,0,0,0,0|1,0,0]=3 9685 B9R0.46 CCCCOCC(=O)NC 240690a_100102657272_100000757543 [0,2,0,0,0,0|1,0,0]=3 9686 B9R0.46 CCCCOCC(=O)NC 34a_100000210227_100000183359 [0,2,0,0,0,0|1,0,0]=3 9687 B9R0.46 CCCCOCC(=O)NC 34a_100000750040_100000210210 [0,2,0,0,0,0|1,0,0]=3 9688 B9R0.46 CCCCOCC(=O)NC 527a_100102657272_100000757543 [0,2,0,0,0,0|1,0,0]=3 9689 B9R0.46 CCCCOCC(=O)NC 7a_100000210227_100000183359 [0,2,0,0,0,0|1,0,0]=3 9690 B9R0.46 CCCCOCC(=O)OC 34a_100000210227_100000747449 [0,2,0,0,0,0|1,0,0]=3 9691 B9R0.46 CCCCOCC(=O)OC 7a_100000210227_100000747449 [0,2,0,0,0,0|1,0,0]=3 9692 B9R0.46 CCCCOCC(C)CC 34a_100000210227_100000748023 [0,2,0,0,0,0|1,0,1]=4 9693 B9R0.46 CCCCOCC(C)CC 7a_100000210227_100000748023 [0,2,0,0,0,0|1,0,1]=4 9694 B9R0.46 CCCCOCC(O)CC 34a_100000210227_100011218378 [0,2,0,0,0,0|0,0,2]=4 9695 B9R0.46 CCCCOCC(O)CC 7a_100000210227_100011218378 [0,2,0,0,0,0|0,0,2]=4 9696 B9R0.46 CCCCOCN(C)CC 2230a_100000225621_100011995733 [0,2,0,0,0,0|2,0,0]=4 9697 B9R0.46 CCCCOCN(C)CC 269982a_100000225621_100011995733 [0,2,0,0,0,0|2,0,0]=4 9698 B9R0.46 CCCCOC[C@@H](C)CC 34a_100000210227_100009816398 [0,2,0,0,0,0|1,0,1]=4 9699 B9R0.46 CCCCOC[C@@H](C)CC 7a_100000210227_100009816398 [0,2,0,0,0,0|1,0,1]=4 9700 B9R0.46 CCCCOC[C@@H](C)CC 7a_100009816381_100000210211 [0,2,0,0,0,0|1,0,1]=4 9701 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [0,2,0,0,0,0|0,0,0]=2 9702 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [0,2,0,0,0,0|0,0,0]=2 9703 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [0,2,0,0,0,0|0,0,0]=2 9704 B9R0.46 CCCCSCC(=O)CF 1458a_100000191162_100015361967 [0,2,0,0,0,0|1,0,0]=3 9705 B9R0.46 CCCCSCC(=O)NC 11a_106832991635_100000191162 [0,2,0,0,0,0|1,0,0]=3 9706 B9R0.46 CCCCSCC(=O)NC 1626a_100102657272_100000191162 [0,2,0,0,0,0|1,0,0]=3 9707 B9R0.46 CCCCSCC(=O)NC 240690a_100102657272_100000191162 [0,2,0,0,0,0|1,0,0]=3 9708 B9R0.46 CCCCSCC(=O)NC 527a_100102657272_100000191162 [0,2,0,0,0,0|1,0,0]=3 9709 B9R0.46 CCCCSCC(=O)NC 62a_100000183359_100000210210 [0,2,0,0,0,0|1,0,0]=3 9710 B9R0.46 CCCCSCC(=O)NC 62a_100000210211_100000183359 [0,2,0,0,0,0|1,0,0]=3 9711 B9R0.46 CCCCSCC(=O)OC 62a_100000210211_100000747449 [0,2,0,0,0,0|1,0,0]=3 9712 B9R0.46 CCCCSCC(=O)OC 62a_100000747449_100000210210 [0,2,0,0,0,0|1,0,0]=3 9713 B9R0.46 CCCCSCC(C)CC 62a_100000210211_100000748023 [0,2,0,0,0,0|1,0,1]=4 9714 B9R0.46 CCCCSCC(C)CC 62a_100000748023_100000210210 [0,2,0,0,0,0|1,0,1]=4 9715 B9R0.46 CCCCSCC(O)CC 62a_100000210211_100011218378 [0,2,0,0,0,0|0,0,2]=4 9716 B9R0.46 CCCCSCC(O)CC 62a_100011218378_100000210210 [0,2,0,0,0,0|0,0,2]=4 9717 B9R0.46 CCCCSC[C@@H](C)CC 62a_100000210211_100009816398 [0,2,0,0,0,0|1,0,1]=4 9718 B9R0.46 CCCCSC[C@@H](C)CC 62a_100009816398_100000210210 [0,2,0,0,0,0|1,0,1]=4 9719 B9R0.46 CCCNCCC(=O)NC 2230a_100000738227_100000210303 [0,2,0,0,0,0|1,0,0]=3 9720 B9R0.46 CCCNCCC(=O)NC 34a_100000738227_100000210303 [0,2,0,0,0,0|1,0,0]=3 9721 B9R0.46 CCCNCCC(C)CC 2230a_100020591266_100000210303 [0,2,0,0,0,0|1,0,1]=4 9722 B9R0.46 CCCNN=CC(=O)OC 4a_100000740057_200011823558 [0,2,0,0,0,0|1,0,1]=4 9723 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [0,2,0,0,0,0|0,0,0]=2 9724 B9R0.46 CCCOCCC(=O)CO 1458a_100000210174_100011215938 [0,2,0,0,0,0|1,0,0]=3 9725 B9R0.46 CCCOCCC(=O)NC 34a_100000210258_100012179268 [0,2,0,0,0,0|1,0,0]=3 9726 B9R0.46 CCCOCCC(=O)NC 34a_100000754576_100000210303 [0,2,0,0,0,0|1,0,0]=3 9727 B9R0.46 CCCOCCC(=O)OC 34a_100000210258_100000742370 [0,2,0,0,0,0|1,0,0]=3 9728 B9R0.46 CCCOCCC(C)CC 7a_100011215188_100000210303 [0,2,0,0,0,0|1,0,1]=4 9729 B9R0.46 CCCOCCN(C)CC 2230a_100000225621_100011215938 [0,2,0,0,0,0|2,0,0]=4 9730 B9R0.46 CCCOCCN(C)CC 269982a_100000225621_100011215938 [0,2,0,0,0,0|2,0,0]=4 9731 B9R0.46 CCCSCCC(=O)NC 62a_100000210303_100000737683 [0,2,0,0,0,0|1,0,0]=3 9732 B9R0.46 CCCSCCC(=O)NC 62a_100000737683_100000210303 [0,2,0,0,0,0|1,0,0]=3 9733 B9R0.46 CCCSCCC(=O)OC 62a_100000204255_100000210303 [0,2,0,0,0,0|1,0,0]=3 9734 B9R0.46 CCCSCCC(=O)OC 62a_100000210303_100000204255 [0,2,0,0,0,0|1,0,0]=3 9735 B9R0.46 CCCSCOC(=O)OC 62a_100000210303_100000139417 [0,2,0,0,0,0|1,0,0]=3 9736 B9R0.46 CCN(C)CCCCC#N 2230a_100000225621_100000211819 [0,2,0,0,0,0|2,0,0]=4 9737 B9R0.46 CCN(C)CCCCC#N 269982a_100000225621_100011219923 [0,2,0,0,0,0|2,0,0]=4 9738 B9R0.46 CCN(C)CCCCC=O 2230a_100000225621_100000139335 [0,2,0,0,0,0|2,0,0]=4 9739 B9R0.46 CCN(C)CCCCC=O 269982a_100000225621_100000139335 [0,2,0,0,0,0|2,0,0]=4 9740 B9R0.46 CCN(C)CCCCCF 2230a_100000225621_100000729378 [0,2,0,0,0,0|2,0,0]=4 9741 B9R0.46 CCN(C)CCCCCF 269982a_100000225621_100000729378 [0,2,0,0,0,0|2,0,0]=4 9742 B9R0.46 CCN(C)CCCCCO 2230a_100000225621_100000746330 [0,2,0,0,0,0|2,0,0]=4 9743 B9R0.46 CCN(C)CCCCCO 2230a_100000722520_100000210202 [0,2,0,0,0,0|2,0,0]=4 9744 B9R0.46 CCN(C)CCCCCO 269982a_100000225621_100000746330 [0,2,0,0,0,0|2,0,0]=4 9745 B9R0.46 CCN(C)CCCCCO 269982a_100000722520_100000204670 [0,2,0,0,0,0|2,0,0]=4 9746 B9R0.46 CCN(C)CCCCOC 2230a_100000225621_100000730899 [0,2,0,0,0,0|2,0,0]=4 9747 B9R0.46 CCN(C)CCCCOC 269982a_100000225621_100000730899 [0,2,0,0,0,0|2,0,0]=4 9748 B9R0.46 CCN(C)CCCSCF 62a_100015361967_100015186262 [0,2,0,0,0,0|2,0,0]=4 9749 B9R0.46 CCN(C)CCOCCO 2230a_100000225621_100011215305 [0,2,0,0,0,0|2,0,0]=4 9750 B9R0.46 CCN(C)CCOCCO 2230a_100000228057_100000210202 [0,2,0,0,0,0|2,0,0]=4 9751 B9R0.46 CCN(C)CCOCCO 269982a_100000225621_100011215305 [0,2,0,0,0,0|2,0,0]=4 9752 B9R0.46 CCN(C)CCOCCO 269982a_100000228057_100000204670 [0,2,0,0,0,0|2,0,0]=4 9753 B9R0.46 CCN(C)COCCOC 2230a_100000225621_100000231047 [0,2,0,0,0,0|2,0,0]=4 9754 B9R0.46 CCN(C)COCCOC 269982a_100000225621_100000231047 [0,2,0,0,0,0|2,0,0]=4 9755 B9R0.46 CCNC/C=C/C(=O)OC 2230a_100015525214_100000742655 [0,2,0,0,0,0|1,0,1]=4 9756 B9R0.46 CCNCCCC(=O)NC 2230a_100000740002_100000210202 [0,2,0,0,0,0|1,0,0]=3 9757 B9R0.46 CCNCCCC(=O)NC 2230a_100015525214_100000741757 [0,2,0,0,0,0|1,0,0]=3 9758 B9R0.46 CCNCCCC(=O)NC 34a_100000740002_100000210202 [0,2,0,0,0,0|1,0,0]=3 9759 B9R0.46 CCNCCCC(=O)OC 2230a_100015525214_100011218270 [0,2,0,0,0,0|1,0,0]=3 9760 B9R0.46 CCNCCCN(C)CC 2230a_100015525214_100015186262 [0,2,0,0,0,0|2,0,0]=4 9761 B9R0.46 CCNCCNC(=O)CC 34a_100132302217_100000210202 [0,2,0,0,0,0|0,0,0]=2 9762 B9R0.46 CCNCCNC(=O)NC 34a_100015205895_100000210202 [0,2,0,0,0,0|1,0,0]=3 9763 B9R0.46 CCNN=CCC(=O)OC 4a_100000756455_200011552997 [0,2,0,0,0,0|1,0,1]=4 9764 B9R0.46 CCOC/C=C/C(=O)OC 34a_100121572206_100000742655 [0,2,0,0,0,0|1,0,1]=4 9765 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [0,2,0,0,0,0|0,0,0]=2 9766 B9R0.46 CCOCCCC(=O)CO 1458a_100000210174_100012232248 [0,2,0,0,0,0|1,0,0]=3 9767 B9R0.46 CCOCCCC(=O)NC 34a_100121572206_100000741757 [0,2,0,0,0,0|1,0,0]=3 9768 B9R0.46 CCOCCCC(=O)NN 34a_100000211488_100000210202 [0,2,0,0,0,0|2,0,0]=4 9769 B9R0.46 CCOCCCC(=O)OC 34a_100121572206_100000742333 [0,2,0,0,0,0|1,0,0]=3 9770 B9R0.46 CCOCCCC(C)CC 7a_100011216074_100000210202 [0,2,0,0,0,0|1,0,1]=4 9771 B9R0.46 CCOCCCN(C)CC 2230a_100000225621_100012232248 [0,2,0,0,0,0|2,0,0]=4 9772 B9R0.46 CCOCCCN(C)CC 269982a_100000225621_100012232248 [0,2,0,0,0,0|2,0,0]=4 9773 B9R0.46 CCOCCNC(=O)CC 11a_100011200944_100000210414 [0,2,0,0,0,0|0,0,0]=2 9774 B9R0.46 CCOCCNC(=O)CC 1626a_102516460346_100000210414 [0,2,0,0,0,0|0,0,0]=2 9775 B9R0.46 CCOCCNC(=O)CC 240690a_100011200944_100000210414 [0,2,0,0,0,0|0,0,0]=2 9776 B9R0.46 CCOCCNC(=O)CC 34a_200000158885_100000210202 [0,2,0,0,0,0|0,0,0]=2 9777 B9R0.46 CCOCCNC(=O)CC 527a_100011200944_100000210414 [0,2,0,0,0,0|0,0,0]=2 9778 B9R0.46 CCOCCNC(=O)CC 7a_200000158885_100000210202 [0,2,0,0,0,0|0,0,0]=2 9779 B9R0.46 CCOCCNC(=O)CO 240690a_100011200944_100000210174 [0,2,0,0,0,0|1,0,0]=3 9780 B9R0.46 CCOCCNC(=O)CO 527a_100011200944_100000210174 [0,2,0,0,0,0|1,0,0]=3 9781 B9R0.46 CCOCCNC(=O)NC 2708a_100011200944_106832991635 [0,2,0,0,0,0|1,0,0]=3 9782 B9R0.46 CCOCCNC(=O)NC 2708a_100102657272_100011200944 [0,2,0,0,0,0|1,0,0]=3 9783 B9R0.46 CCOCCNC(=O)NC 273464a_100102657272_102516460346 [0,2,0,0,0,0|1,0,0]=3 9784 B9R0.46 CCOCCNC(=O)NC 273464a_102516460346_100102657272 [0,2,0,0,0,0|1,0,0]=3 9785 B9R0.46 CCOCCNC(=O)NC 512a_100011200944_100102657272 [0,2,0,0,0,0|1,0,0]=3 9786 B9R0.46 CCOCCNC(=O)NC 512a_106832991638_100011200944 [0,2,0,0,0,0|1,0,0]=3 9787 B9R0.46 CCOCCNC(=O)OC 34a_100000757965_100000210202 [0,2,0,0,0,0|1,0,0]=3 9788 B9R0.46 CCOCCNC(C)CC 2230a_100000209981_100011215890 [0,2,0,0,0,0|1,0,1]=4 9789 B9R0.46 CCOCCNC(C)CC 2230a_102516460346_100000758301 [0,2,0,0,0,0|1,0,1]=4 9790 B9R0.46 CCOCCNC(C)CC 34a_102516460346_100011215416 [0,2,0,0,0,0|1,0,1]=4 9791 B9R0.46 CCOCCOC(=O)CC 7a_200000031056_100000210202 [0,2,0,0,0,0|0,0,0]=2 9792 B9R0.46 CCOCCOC(=O)NC 34a_100121572206_200011997002 [0,2,0,0,0,0|1,0,0]=3 9793 B9R0.46 CCOCCOC(=O)OC 34a_100010262106_100000210202 [0,2,0,0,0,0|1,0,0]=3 9794 B9R0.46 CCOCCOC(C)CC 34a_100000210136_100011215416 [0,2,0,0,0,0|1,0,1]=4 9795 B9R0.46 CCOCCOC(C)CC 7a_100000210136_100000758301 [0,2,0,0,0,0|1,0,1]=4 9796 B9R0.46 CCOCCOC(C)CC 7a_100000210228_100011215890 [0,2,0,0,0,0|1,0,1]=4 9797 B9R0.46 CCOCCSC(C)CC 62a_100000210147_100000758301 [0,2,0,0,0,0|1,0,1]=4 9798 B9R0.46 CCOCCSC(C)CC 62a_100000758301_100011215890 [0,2,0,0,0,0|1,0,1]=4 9799 B9R0.46 CCOCSCC(=O)CC 62a_100000739092_100000747405 [0,2,0,0,0,0|0,0,0]=2 9800 B9R0.46 CCOCSCC(=O)CC 62a_100000747405_100000739092 [0,2,0,0,0,0|0,0,0]=2 9801 B9R0.46 CCOCSCC(=O)NC 62a_100000183359_100000739092 [0,2,0,0,0,0|1,0,0]=3 9802 B9R0.46 CCOCSCC(=O)NC 62a_100000739092_100000183359 [0,2,0,0,0,0|1,0,0]=3 9803 B9R0.46 CCOCSCC(=O)OC 62a_100000739092_100000747449 [0,2,0,0,0,0|1,0,0]=3 9804 B9R0.46 CCOCSCC(=O)OC 62a_100000747449_100000739092 [0,2,0,0,0,0|1,0,0]=3 9805 B9R0.46 CCOCSCC(C)CC 62a_100000739092_100000748023 [0,2,0,0,0,0|1,0,1]=4 9806 B9R0.46 CCOCSCC(C)CC 62a_100000748023_100000739092 [0,2,0,0,0,0|1,0,1]=4 9807 B9R0.46 CCOCSCC(O)CC 62a_100000739092_100011218378 [0,2,0,0,0,0|0,0,2]=4 9808 B9R0.46 CCOCSCC(O)CC 62a_100011218378_100000739092 [0,2,0,0,0,0|0,0,2]=4 9809 B9R0.46 CCOCSC[C@@H](C)CC 62a_100000739092_100009816398 [0,2,0,0,0,0|1,0,1]=4 9810 B9R0.46 CCOCSC[C@@H](C)CC 62a_100009816398_100000739092 [0,2,0,0,0,0|1,0,1]=4 9811 B9R0.46 CCSC/C=C/C(=O)OC 62a_100000210202_100000742655 [0,2,0,0,0,0|1,0,1]=4 9812 B9R0.46 CCSC/C=C/C(=O)OC 62a_100000742655_100000210202 [0,2,0,0,0,0|1,0,1]=4 9813 B9R0.46 CCSCCCC(=O)NC 62a_100000210202_100000741757 [0,2,0,0,0,0|1,0,0]=3 9814 B9R0.46 CCSCCCC(=O)NC 62a_100000741757_100000210202 [0,2,0,0,0,0|1,0,0]=3 9815 B9R0.46 CCSCCCC(=O)OC 62a_100000210202_100011218270 [0,2,0,0,0,0|1,0,0]=3 9816 B9R0.46 CCSCCCC(=O)OC 62a_100011218270_100000210202 [0,2,0,0,0,0|1,0,0]=3 9817 B9R0.46 CCSCCCN(C)CC 62a_100000210202_100015186262 [0,2,0,0,0,0|2,0,0]=4 9818 B9R0.46 CCSCCNC(=O)CC 11a_100000106463_100000210414 [0,2,0,0,0,0|0,0,0]=2 9819 B9R0.46 CCSCCNC(=O)CC 1626a_100000106463_100000210414 [0,2,0,0,0,0|0,0,0]=2 9820 B9R0.46 CCSCCNC(=O)CC 240690a_100000106463_100000210414 [0,2,0,0,0,0|0,0,0]=2 9821 B9R0.46 CCSCCNC(=O)CC 527a_100000106463_100000210414 [0,2,0,0,0,0|0,0,0]=2 9822 B9R0.46 CCSCCNC(=O)CO 240690a_100000106463_100000210174 [0,2,0,0,0,0|1,0,0]=3 9823 B9R0.46 CCSCCNC(=O)CO 527a_100000106463_100000210174 [0,2,0,0,0,0|1,0,0]=3 9824 B9R0.46 CCSCCNC(=O)NC 2708a_100000106463_106832991635 [0,2,0,0,0,0|1,0,0]=3 9825 B9R0.46 CCSCCNC(=O)NC 2708a_100102657272_100000106463 [0,2,0,0,0,0|1,0,0]=3 9826 B9R0.46 CCSCCNC(=O)NC 273464a_100000106463_100102657272 [0,2,0,0,0,0|1,0,0]=3 9827 B9R0.46 CCSCCNC(=O)NC 273464a_100102657272_100000106463 [0,2,0,0,0,0|1,0,0]=3 9828 B9R0.46 CCSCCNC(=O)NC 512a_100000106463_100102657272 [0,2,0,0,0,0|1,0,0]=3 9829 B9R0.46 CCSCCNC(=O)NC 512a_106832991638_100000106463 [0,2,0,0,0,0|1,0,0]=3 9830 B9R0.46 CCSCCNC(C)CC 2230a_100000106463_100000758301 [0,2,0,0,0,0|1,0,1]=4 9831 B9R0.46 CCSCCNC(C)CC 2230a_100000209981_100000757381 [0,2,0,0,0,0|1,0,1]=4 9832 B9R0.46 CCSCCOC(=O)NC 62a_100000210202_200011997002 [0,2,0,0,0,0|1,0,0]=3 9833 B9R0.46 CCSCCOC(=O)NC 62a_200011997002_100000210202 [0,2,0,0,0,0|1,0,0]=3 9834 B9R0.46 CCSCCOC(C)CC 34a_100000212035_100011215416 [0,2,0,0,0,0|1,0,1]=4 9835 B9R0.46 CCSCCOC(C)CC 7a_100000210228_100000757381 [0,2,0,0,0,0|1,0,1]=4 9836 B9R0.46 CCSCCOC(C)CC 7a_100000212035_100000758301 [0,2,0,0,0,0|1,0,1]=4 9837 B9R0.46 CCSCCSC(C)CC 62a_100000757381_100000758301 [0,2,0,0,0,0|1,0,1]=4 9838 B9R0.46 CCSCCSC(C)CC 62a_100000758301_100000757381 [0,2,0,0,0,0|1,0,1]=4 9839 B9R0.46 CC[C@H](C)CNCCCF 2230a_100015189416_100009816398 [0,2,0,0,0,0|1,0,1]=4 9840 B9R0.46 CC[C@H](C)CNCCCF 34a_100015189416_100009816398 [0,2,0,0,0,0|1,0,1]=4 9841 B9R0.46 CC[C@H](C)CNCCOC 2230a_100000209980_100009816398 [0,2,0,0,0,0|1,0,1]=4 9842 B9R0.46 CC[C@H](C)CNCCSC 2230a_100020590264_100009816398 [0,2,0,0,0,0|1,0,1]=4 9843 B9R0.46 CC[C@H](C)COCCCBr 34a_100011217188_100009816398 [0,2,0,0,0,0|1,0,1]=4 9844 B9R0.46 CC[C@H](C)COCCCCl 34a_100000230001_100009816398 [0,2,0,0,0,0|1,0,1]=4 9845 B9R0.46 CC[C@H](C)COCCCF 34a_100000759539_100009816398 [0,2,0,0,0,0|1,0,1]=4 9846 B9R0.46 CC[C@H](C)COCCCF 7a_100009816381_100011934791 [0,2,0,0,0,0|1,0,1]=4 9847 B9R0.46 CC[C@H](C)COCCCN 34a_100000182051_100009816398 [0,2,0,0,0,0|1,0,1]=4 9848 B9R0.46 CC[C@H](C)COCCCO 7a_100009816381_100011215043 [0,2,0,0,0,0|1,0,1]=4 9849 B9R0.46 CC[C@H](C)COCCOC 34a_100000210237_100009816398 [0,2,0,0,0,0|1,0,1]=4 9850 B9R0.46 CC[C@H](C)COCCOC 7a_100009816381_100000233755 [0,2,0,0,0,0|1,0,1]=4 9851 B9R0.46 CC[C@H](C)COCCSC 34a_100000230434_100009816398 [0,2,0,0,0,0|1,0,1]=4 9852 B9R0.46 CC[C@H](C)COCCSC 7a_100000230434_100009816398 [0,2,0,0,0,0|1,0,1]=4 9853 B9R0.46 CC[C@H](C)COCCSC 7a_100009816381_100000212216 [0,2,0,0,0,0|1,0,1]=4 9854 B9R0.46 CC[C@H](C)CSCCCF 62a_100009816398_100011934791 [0,2,0,0,0,0|1,0,1]=4 9855 B9R0.46 CC[C@H](C)CSCCCF 62a_100011934791_100009816398 [0,2,0,0,0,0|1,0,1]=4 9856 B9R0.46 CC[C@H](C)CSCCCO 62a_100009816398_100011215043 [0,2,0,0,0,0|1,0,1]=4 9857 B9R0.46 CC[C@H](C)CSCCCO 62a_100011215043_100009816398 [0,2,0,0,0,0|1,0,1]=4 9858 B9R0.46 CC[C@H](C)CSCCOC 62a_100000233755_100009816398 [0,2,0,0,0,0|1,0,1]=4 9859 B9R0.46 CC[C@H](C)CSCCOC 62a_100009816398_100000233755 [0,2,0,0,0,0|1,0,1]=4 9860 B9R0.46 CC[C@H](C)CSCCSC 62a_100000212216_100009816398 [0,2,0,0,0,0|1,0,1]=4 9861 B9R0.46 CC[C@H](C)CSCCSC 62a_100009816398_100000751147 [0,2,0,0,0,0|1,0,1]=4 9862 B9R0.46 CNC(=O)CCCCCO 240690a_100102657272_100102619762 [0,2,0,0,0,0|1,0,0]=3 9863 B9R0.46 CNC(=O)CCCN=[N+]=[N-] 11a_106832991635_100010262590 [0,2,0,0,0,0|2,0,0]=4 9864 B9R0.46 CNC(=O)CCCN=[N+]=[N-] 240690a_100102657272_100010262590 [0,2,0,0,0,0|2,0,0]=4 9865 B9R0.46 CNC(=O)CCCN=[N+]=[N-] 527a_100102657272_100010262590 [0,2,0,0,0,0|2,0,0]=4 9866 B9R0.46 CNC(=O)CCCNCF 34a_100000740002_100015361967 [0,2,0,0,0,0|1,0,0]=3 9867 B9R0.46 CNC(=O)CCCSCF 62a_100000741757_100015361967 [0,2,0,0,0,0|1,0,0]=3 9868 B9R0.46 CNC(=O)CCCSCF 62a_100015361967_100000741757 [0,2,0,0,0,0|1,0,0]=3 9869 B9R0.46 CNC(=O)CCNCC#N 2230a_100000738227_100011215382 [0,2,0,0,0,0|1,0,1]=4 9870 B9R0.46 CNC(=O)CCNCC=O 2230a_100000738227_200015260668 [0,2,0,0,0,0|1,0,1]=4 9871 B9R0.46 CNC(=O)CCNCC=O 34a_100000738227_200009817547 [0,2,0,0,0,0|1,0,1]=4 9872 B9R0.46 CNC(=O)CCNCCF 2230a_100000738227_100011217306 [0,2,0,0,0,0|1,0,0]=3 9873 B9R0.46 CNC(=O)CCNCCF 34a_100000724931_100012179268 [0,2,0,0,0,0|1,0,0]=3 9874 B9R0.46 CNC(=O)CCNCCF 34a_100000738227_100011217306 [0,2,0,0,0,0|1,0,0]=3 9875 B9R0.46 CNC(=O)CCNCCO 2230a_100000738227_100000211926 [0,2,0,0,0,0|1,0,0]=3 9876 B9R0.46 CNC(=O)CCNCCO 2230a_100016997473_100000737683 [0,2,0,0,0,0|1,0,0]=3 9877 B9R0.46 CNC(=O)CCNCCO 34a_100000738227_100000211926 [0,2,0,0,0,0|1,0,0]=3 9878 B9R0.46 CNC(=O)CCNCCO 34a_100016990907_100012179268 [0,2,0,0,0,0|1,0,0]=3 9879 B9R0.46 CNC(=O)CCNCOC 2230a_100000738227_100000766300 [0,2,0,0,0,0|1,0,0]=3 9880 B9R0.46 CNC(=O)CCNCSC 2230a_100000738227_100011218213 [0,2,0,0,0,0|1,0,0]=3 9881 B9R0.46 CNC(=O)CCNCSC 34a_100000738227_100011218213 [0,2,0,0,0,0|1,0,0]=3 9882 B9R0.46 CNC(=O)CCOCC=O 34a_100000754576_200009817547 [0,2,0,0,0,0|1,0,1]=4 9883 B9R0.46 CNC(=O)CCOCCBr 34a_100000211926_100012179268 [0,2,0,0,0,0|1,0,0]=3 9884 B9R0.46 CNC(=O)CCOCCF 34a_100000754576_100011217306 [0,2,0,0,0,0|1,0,0]=3 9885 B9R0.46 CNC(=O)CCOCCN 34a_100000210304_100012179268 [0,2,0,0,0,0|1,0,0]=3 9886 B9R0.46 CNC(=O)CCOCCO 1626a_100102657272_100011229844 [0,2,0,0,0,0|1,0,0]=3 9887 B9R0.46 CNC(=O)CCOCCO 240690a_100102657272_100011229844 [0,2,0,0,0,0|1,0,0]=3 9888 B9R0.46 CNC(=O)CCOCCO 34a_100000754576_100000211926 [0,2,0,0,0,0|1,0,0]=3 9889 B9R0.46 CNC(=O)CCOCSC 34a_100000754576_100011218213 [0,2,0,0,0,0|1,0,0]=3 9890 B9R0.46 CNC(=O)CCSCC#N 62a_100000737683_100011215382 [0,2,0,0,0,0|1,0,1]=4 9891 B9R0.46 CNC(=O)CCSCC#N 62a_100011215382_100000737683 [0,2,0,0,0,0|1,0,1]=4 9892 B9R0.46 CNC(=O)CCSCC=O 62a_100000737683_200015260668 [0,2,0,0,0,0|1,0,1]=4 9893 B9R0.46 CNC(=O)CCSCC=O 62a_200015260668_100000737683 [0,2,0,0,0,0|1,0,1]=4 9894 B9R0.46 CNC(=O)CCSCCF 62a_100000737683_100011217306 [0,2,0,0,0,0|1,0,0]=3 9895 B9R0.46 CNC(=O)CCSCCF 62a_100011217306_100000737683 [0,2,0,0,0,0|1,0,0]=3 9896 B9R0.46 CNC(=O)CCSCCO 62a_100000211926_100000737683 [0,2,0,0,0,0|1,0,0]=3 9897 B9R0.46 CNC(=O)CCSCCO 62a_100000737683_100000211926 [0,2,0,0,0,0|1,0,0]=3 9898 B9R0.46 CNC(=O)CCSCOC 62a_100000737683_100000766300 [0,2,0,0,0,0|1,0,0]=3 9899 B9R0.46 CNC(=O)CCSCOC 62a_100000766300_100000737683 [0,2,0,0,0,0|1,0,0]=3 9900 B9R0.46 CNC(=O)CCSCSC 62a_100000737683_100011218213 [0,2,0,0,0,0|1,0,0]=3 9901 B9R0.46 CNC(=O)CCSCSC 62a_100011218213_100000737683 [0,2,0,0,0,0|1,0,0]=3 9902 B9R0.46 CNC(=O)CNCCC#N 2230a_100000693194_100011215226 [0,2,0,0,0,0|1,0,1]=4 9903 B9R0.46 CNC(=O)CNCCCF 2230a_100000693194_100011934791 [0,2,0,0,0,0|1,0,0]=3 9904 B9R0.46 CNC(=O)CNCCCF 2230a_100015189416_100000183359 [0,2,0,0,0,0|1,0,0]=3 9905 B9R0.46 CNC(=O)CNCCCF 34a_100015189416_100000183359 [0,2,0,0,0,0|1,0,0]=3 9906 B9R0.46 CNC(=O)CNCCCO 2230a_100000693194_100000230001 [0,2,0,0,0,0|1,0,0]=3 9907 B9R0.46 CNC(=O)CNCCOC 2230a_100000209980_100000183359 [0,2,0,0,0,0|1,0,0]=3 9908 B9R0.46 CNC(=O)CNCCOC 2230a_100000693194_100011201679 [0,2,0,0,0,0|1,0,0]=3 9909 B9R0.46 CNC(=O)CNCCSC 2230a_100000693194_100000751147 [0,2,0,0,0,0|1,0,0]=3 9910 B9R0.46 CNC(=O)CNCCSC 2230a_100020590264_100000183359 [0,2,0,0,0,0|1,0,0]=3 9911 B9R0.46 CNC(=O)COCCCBr 34a_100011217188_100000183359 [0,2,0,0,0,0|1,0,0]=3 9912 B9R0.46 CNC(=O)COCCCCl 34a_100000230001_100000183359 [0,2,0,0,0,0|1,0,0]=3 9913 B9R0.46 CNC(=O)COCCCF 34a_100000750040_100011934791 [0,2,0,0,0,0|1,0,0]=3 9914 B9R0.46 CNC(=O)COCCCF 34a_100000759539_100000183359 [0,2,0,0,0,0|1,0,0]=3 9915 B9R0.46 CNC(=O)COCCCN 34a_100000182051_100000183359 [0,2,0,0,0,0|1,0,0]=3 9916 B9R0.46 CNC(=O)COCCCO 34a_100000750040_100000230001 [0,2,0,0,0,0|1,0,0]=3 9917 B9R0.46 CNC(=O)COCCOC 11a_106832991635_100000211095 [0,2,0,0,0,0|1,0,0]=3 9918 B9R0.46 CNC(=O)COCCOC 1626a_100102657272_100000211095 [0,2,0,0,0,0|1,0,0]=3 9919 B9R0.46 CNC(=O)COCCOC 240690a_100102657272_100000211095 [0,2,0,0,0,0|1,0,0]=3 9920 B9R0.46 CNC(=O)COCCOC 34a_100000210237_100000183359 [0,2,0,0,0,0|1,0,0]=3 9921 B9R0.46 CNC(=O)COCCOC 34a_100000750040_100011201679 [0,2,0,0,0,0|1,0,0]=3 9922 B9R0.46 CNC(=O)COCCOC 527a_100102657272_100000211095 [0,2,0,0,0,0|1,0,0]=3 9923 B9R0.46 CNC(=O)COCCON 34a_100000700252_100000183359 [0,2,0,0,0,0|2,0,0]=4 9924 B9R0.46 CNC(=O)COCCSC 34a_100000230434_100000183359 [0,2,0,0,0,0|1,0,0]=3 9925 B9R0.46 CNC(=O)COCCSC 34a_100000750040_100000212216 [0,2,0,0,0,0|1,0,0]=3 9926 B9R0.46 CNC(=O)COCCSC 7a_100000230434_100000183359 [0,2,0,0,0,0|1,0,0]=3 9927 B9R0.46 CNC(=O)CSCCC#N 62a_100000183359_100011215226 [0,2,0,0,0,0|1,0,1]=4 9928 B9R0.46 CNC(=O)CSCCC#N 62a_100011215226_100000183359 [0,2,0,0,0,0|1,0,1]=4 9929 B9R0.46 CNC(=O)CSCCCF 62a_100000183359_100011934791 [0,2,0,0,0,0|1,0,0]=3 9930 B9R0.46 CNC(=O)CSCCCF 62a_100011934791_100000183359 [0,2,0,0,0,0|1,0,0]=3 9931 B9R0.46 CNC(=O)CSCCCO 62a_100000183359_100011215043 [0,2,0,0,0,0|1,0,0]=3 9932 B9R0.46 CNC(=O)CSCCCO 62a_100011215043_100000183359 [0,2,0,0,0,0|1,0,0]=3 9933 B9R0.46 CNC(=O)CSCCOC 62a_100000183359_100000233755 [0,2,0,0,0,0|1,0,0]=3 9934 B9R0.46 CNC(=O)CSCCOC 62a_100000233755_100000183359 [0,2,0,0,0,0|1,0,0]=3 9935 B9R0.46 CNC(=O)CSCCSC 62a_100000183359_100000751147 [0,2,0,0,0,0|1,0,0]=3 9936 B9R0.46 CNC(=O)CSCCSC 62a_100000212216_100000183359 [0,2,0,0,0,0|1,0,0]=3 9937 B9R0.46 CNC(=O)NCCCCO 2708a_100000750430_106832991635 [0,2,0,0,0,0|1,0,0]=3 9938 B9R0.46 CNC(=O)NCCCCO 2708a_100102657272_100000750430 [0,2,0,0,0,0|1,0,0]=3 9939 B9R0.46 CNC(=O)NCCCCO 273464a_100000750430_100102657272 [0,2,0,0,0,0|1,0,0]=3 9940 B9R0.46 CNC(=O)NCCCCO 273464a_100102657272_100000750430 [0,2,0,0,0,0|1,0,0]=3 9941 B9R0.46 CNC(=O)NCCCCO 512a_100000750430_100102657272 [0,2,0,0,0,0|1,0,0]=3 9942 B9R0.46 CNC(=O)NCCCCO 512a_106832991638_100000750430 [0,2,0,0,0,0|1,0,0]=3 9943 B9R0.46 CNC(=O)NCCCOC 2708a_100102657272_100150723488 [0,2,0,0,0,0|1,0,0]=3 9944 B9R0.46 CNC(=O)NCCCOC 2708a_100150723488_106832991635 [0,2,0,0,0,0|1,0,0]=3 9945 B9R0.46 CNC(=O)NCCCOC 273464a_100102657272_100150723488 [0,2,0,0,0,0|1,0,0]=3 9946 B9R0.46 CNC(=O)NCCCOC 273464a_100150723488_100102657272 [0,2,0,0,0,0|1,0,0]=3 9947 B9R0.46 CNC(=O)NCCCOC 512a_106832991638_100150723488 [0,2,0,0,0,0|1,0,0]=3 9948 B9R0.46 CNC(=O)NCCCSC 2708a_100000749238_106832991635 [0,2,0,0,0,0|1,0,0]=3 9949 B9R0.46 CNC(=O)NCCCSC 2708a_100102657272_100000749238 [0,2,0,0,0,0|1,0,0]=3 9950 B9R0.46 CNC(=O)NCCCSC 273464a_100000749238_100102657272 [0,2,0,0,0,0|1,0,0]=3 9951 B9R0.46 CNC(=O)NCCCSC 273464a_100102657272_100000749238 [0,2,0,0,0,0|1,0,0]=3 9952 B9R0.46 CNC(=O)NCCCSC 512a_100000749238_100102657272 [0,2,0,0,0,0|1,0,0]=3 9953 B9R0.46 CNC(=O)NCCCSC 512a_106832991638_100000749238 [0,2,0,0,0,0|1,0,0]=3 9954 B9R0.46 CNC(=O)NCCNCF 34a_100015205895_100015361967 [0,2,0,0,0,0|2,0,0]=4 9955 B9R0.46 CNC(=O)NNCCOC 273464a_100102657272_100000741390 [0,2,0,0,0,0|2,0,0]=4 9956 B9R0.46 CNC(=O)OCCSCF 62a_100015361967_200011997002 [0,2,0,0,0,0|2,0,0]=4 9957 B9R0.46 CNC(=O)OCCSCF 62a_200011997002_100015361967 [0,2,0,0,0,0|2,0,0]=4 9958 B9R0.46 CNCCCCC(=O)OC 2230a_106832991635_100000204269 [0,2,0,0,0,0|1,0,0]=3 9959 B9R0.46 CNCCCCC(=O)OC 34a_100102657272_100000204269 [0,2,0,0,0,0|1,0,0]=3 9960 B9R0.46 CNCCCCC(=O)OC 7a_106832991635_100000204269 [0,2,0,0,0,0|1,0,0]=3 9961 B9R0.46 CNCCOCC(=O)OC 2230a_106832991635_100000090808 [0,2,0,0,0,0|1,0,0]=3 9962 B9R0.46 CNCCOCC(=O)OC 34a_100102657272_100000090808 [0,2,0,0,0,0|1,0,0]=3 9963 B9R0.46 CNCCOCC(=O)OC 7a_106832991635_100000090808 [0,2,0,0,0,0|1,0,0]=3 9964 B9R0.46 COC(=O)CCCCO[13CH3] 34a_100000059025_200025704644 [0,2,0,0,0,0|1,0,0]=3 9965 B9R0.46 COC(=O)CCCCO[13CH3] 7a_100000059025_200025704644 [0,2,0,0,0,0|1,0,0]=3 9966 B9R0.46 COC(=O)CCCCSC 62a_100000204269_200000210301 [0,2,0,0,0,0|1,0,0]=3 9967 B9R0.46 COC(=O)CCCCSC 62a_200000210301_100000204269 [0,2,0,0,0,0|1,0,0]=3 9968 B9R0.46 COC(=O)CCCCS[13CH3] 62a_100000204269_200025704644 [0,2,0,0,0,0|1,0,0]=3 9969 B9R0.46 COC(=O)CCCCS[13CH3] 62a_200025704644_100000204269 [0,2,0,0,0,0|1,0,0]=3 9970 B9R0.46 COC(=O)CCCSCF 62a_100011218270_100015361967 [0,2,0,0,0,0|1,0,0]=3 9971 B9R0.46 COC(=O)CCCSCF 62a_100015361967_100011218270 [0,2,0,0,0,0|1,0,0]=3 9972 B9R0.46 COC(=O)CCNCCF 34a_100000724931_100000742370 [0,2,0,0,0,0|1,0,0]=3 9973 B9R0.46 COC(=O)CCNCCO 2230a_100016997473_100000204255 [0,2,0,0,0,0|1,0,0]=3 9974 B9R0.46 COC(=O)CCNCCO 34a_100016990907_100000742370 [0,2,0,0,0,0|1,0,0]=3 9975 B9R0.46 COC(=O)CCOCCBr 34a_100000211926_100000742370 [0,2,0,0,0,0|1,0,0]=3 9976 B9R0.46 COC(=O)CCOCCN 34a_100000210304_100000742370 [0,2,0,0,0,0|1,0,0]=3 9977 B9R0.46 COC(=O)CCSCC#N 62a_100000204255_100011215382 [0,2,0,0,0,0|1,0,1]=4 9978 B9R0.46 COC(=O)CCSCC#N 62a_100011215382_100000204255 [0,2,0,0,0,0|1,0,1]=4 9979 B9R0.46 COC(=O)CCSCC=O 62a_100000204255_200015260668 [0,2,0,0,0,0|1,0,1]=4 9980 B9R0.46 COC(=O)CCSCC=O 62a_200015260668_100000204255 [0,2,0,0,0,0|1,0,1]=4 9981 B9R0.46 COC(=O)CCSCCF 62a_100000204255_100011217306 [0,2,0,0,0,0|1,0,0]=3 9982 B9R0.46 COC(=O)CCSCCF 62a_100011217306_100000204255 [0,2,0,0,0,0|1,0,0]=3 9983 B9R0.46 COC(=O)CCSCCO 62a_100000204255_100000211926 [0,2,0,0,0,0|1,0,0]=3 9984 B9R0.46 COC(=O)CCSCCO 62a_100000211926_100000204255 [0,2,0,0,0,0|1,0,0]=3 9985 B9R0.46 COC(=O)CCSCSC 62a_100000204255_100011218213 [0,2,0,0,0,0|1,0,0]=3 9986 B9R0.46 COC(=O)CCSCSC 62a_100011218213_100000204255 [0,2,0,0,0,0|1,0,0]=3 9987 B9R0.46 COC(=O)CNCCCF 2230a_100015189416_100000747449 [0,2,0,0,0,0|1,0,0]=3 9988 B9R0.46 COC(=O)CNCCCF 34a_100015189416_100000747449 [0,2,0,0,0,0|1,0,0]=3 9989 B9R0.46 COC(=O)CNCCSC 2230a_100020590264_100000747449 [0,2,0,0,0,0|1,0,0]=3 9990 B9R0.46 COC(=O)COCCCBr 34a_100011217188_100000747449 [0,2,0,0,0,0|1,0,0]=3 9991 B9R0.46 COC(=O)COCCCCl 34a_100000230001_100000747449 [0,2,0,0,0,0|1,0,0]=3 9992 B9R0.46 COC(=O)COCCCF 34a_100000759539_100000747449 [0,2,0,0,0,0|1,0,0]=3 9993 B9R0.46 COC(=O)COCCCN 34a_100000182051_100000747449 [0,2,0,0,0,0|1,0,0]=3 9994 B9R0.46 COC(=O)COCCON 34a_100000700252_100000747449 [0,2,0,0,0,0|2,0,0]=4 9995 B9R0.46 COC(=O)COCCSC 34a_100000230434_100000747449 [0,2,0,0,0,0|1,0,0]=3 9996 B9R0.46 COC(=O)COCCSC 62a_100000090808_200000210301 [0,2,0,0,0,0|1,0,0]=3 9997 B9R0.46 COC(=O)COCCSC 62a_200000210301_100000090808 [0,2,0,0,0,0|1,0,0]=3 9998 B9R0.46 COC(=O)COCCSC 7a_100000230434_100000747449 [0,2,0,0,0,0|1,0,0]=3 9999 B9R0.46 COC(=O)COCCS[13CH3] 62a_100000090808_200025704644 [0,2,0,0,0,0|1,0,0]=3 10000 B9R0.46 COC(=O)COCCS[13CH3] 62a_200025704644_100000090808 [0,2,0,0,0,0|1,0,0]=3 10001 B9R0.46 COC(=O)CSCCC#N 62a_100000747449_100011215226 [0,2,0,0,0,0|1,0,1]=4 10002 B9R0.46 COC(=O)CSCCC#N 62a_100011215226_100000747449 [0,2,0,0,0,0|1,0,1]=4 10003 B9R0.46 COC(=O)CSCCCF 62a_100000747449_100011934791 [0,2,0,0,0,0|1,0,0]=3 10004 B9R0.46 COC(=O)CSCCCF 62a_100011934791_100000747449 [0,2,0,0,0,0|1,0,0]=3 10005 B9R0.46 COC(=O)CSCCCO 62a_100000747449_100011215043 [0,2,0,0,0,0|1,0,0]=3 10006 B9R0.46 COC(=O)CSCCCO 62a_100011215043_100000747449 [0,2,0,0,0,0|1,0,0]=3 10007 B9R0.46 COC(=O)CSCCSC 62a_100000212216_100000747449 [0,2,0,0,0,0|1,0,0]=3 10008 B9R0.46 COC(=O)CSCCSC 62a_100000747449_100000751147 [0,2,0,0,0,0|1,0,0]=3 10009 B9R0.46 COC(=O)NCCOCF 34a_100000757965_100015361967 [0,2,0,0,0,0|2,0,0]=4 10010 B9R0.46 COC(=O)OCCOCF 34a_100010262106_100015361967 [0,2,0,0,0,0|2,0,0]=4 10011 B9R0.46 COC(=O)OCSCCF 62a_100011217306_100000139417 [0,2,0,0,0,0|2,0,0]=4 10012 B9R0.46 COC(=O)OCSCCO 62a_100000211926_100000139417 [0,2,0,0,0,0|2,0,0]=4 10013 B9R0.46 COC(=O)OCSCSC 62a_100011218213_100000139417 [0,2,0,0,0,0|2,0,0]=4 10014 B9R0.46 COCCCCC(=O)CO 1458a_100000210174_100000755781 [0,2,0,0,0,0|1,0,0]=3 10015 B9R0.46 COCCCCC(=O)OC 34a_100000059025_200000210301 [0,2,0,0,0,0|1,0,0]=3 10016 B9R0.46 COCCCCC(=O)OC 34a_100138415774_100000204269 [0,2,0,0,0,0|1,0,0]=3 10017 B9R0.46 COCCCCC(=O)OC 7a_100000059025_200000210301 [0,2,0,0,0,0|1,0,0]=3 10018 B9R0.46 COCCCNC(=O)CO 240690a_100150723488_100000210174 [0,2,0,0,0,0|1,0,0]=3 10019 B9R0.46 COCCCNC(=O)CO 527a_100150723488_100000210174 [0,2,0,0,0,0|1,0,0]=3 10020 B9R0.46 COCCNCC(=O)OC 2230a_100000209980_100000747449 [0,2,0,0,0,0|1,0,0]=3 10021 B9R0.46 COCCNNC(=O)CO 22a_100000741390_100000210174 [0,2,0,0,0,0|2,0,0]=4 10022 B9R0.46 COCCOCC(=O)CF 1458a_100000211095_100015361967 [0,2,0,0,0,0|1,0,0]=3 10023 B9R0.46 COCCOCC(=O)OC 34a_100000210237_100000747449 [0,2,0,0,0,0|1,0,0]=3 10024 B9R0.46 COCCOCC(=O)OC 34a_100138415774_100000090808 [0,2,0,0,0,0|1,0,0]=3 10025 B9R0.46 COCCSCC(=O)OC 62a_100000233755_100000747449 [0,2,0,0,0,0|1,0,0]=3 10026 B9R0.46 COCCSCC(=O)OC 62a_100000747449_100000233755 [0,2,0,0,0,0|1,0,0]=3 10027 B9R0.46 COCSCCC(=O)OC 62a_100000204255_100000766300 [0,2,0,0,0,0|1,0,0]=3 10028 B9R0.46 COCSCCC(=O)OC 62a_100000766300_100000204255 [0,2,0,0,0,0|1,0,0]=3 10029 B9R0.46 COCSCOC(=O)OC 62a_100000766300_100000139417 [0,2,0,0,0,0|2,0,0]=4 10030 B9R0.46 CSCCCNC(=O)CO 240690a_100000749238_100000210174 [0,2,0,0,0,0|1,0,0]=3 10031 B9R0.46 CSCCCNC(=O)CO 527a_100000749238_100000210174 [0,2,0,0,0,0|1,0,0]=3 10032 B9R0.46 N#CCCCCC(=O)CO 1458a_100000210174_100000211819 [0,2,0,0,0,0|1,0,0]=3 10033 B9R0.46 N#CCOCCC(=O)CO 1458a_100000210174_200000047693 [0,2,0,0,0,0|1,0,1]=4 10034 B9R0.46 NNC(=O)CCCOCF 34a_100000211488_100015361967 [0,2,0,0,0,0|2,0,0]=4 10035 B9R0.46 O=C(CF)CCCCCO 1458a_100102619762_100015361967 [0,2,0,0,0,0|1,0,0]=3 10036 B9R0.46 O=C(CF)CCOCCO 1458a_100011229844_100015361967 [0,2,0,0,0,0|1,0,0]=3 10037 B9R0.46 O=C(CO)CCCCCF 1458a_100000210174_100000729378 [0,2,0,0,0,0|1,0,0]=3 10038 B9R0.46 O=C(CO)CCCCCO 1458a_100000210174_100000746330 [0,2,0,0,0,0|1,0,0]=3 10039 B9R0.46 O=C(CO)CCOCCO 1458a_100000210174_100011215305 [0,2,0,0,0,0|1,0,0]=3 10040 B9R0.46 O=C(CO)NCCCCO 240690a_100000750430_100000210174 [0,2,0,0,0,0|1,0,0]=3 10041 B9R0.46 O=C(CO)NCCCCO 527a_100000750430_100000210174 [0,2,0,0,0,0|1,0,0]=3 10042 B9R0.46 [N-]=[N+]=NCCCC(=O)CF 1458a_100010262590_100015361967 [0,2,0,0,0,0|2,0,0]=4 10043 B9R0.47 C#CCCCC(=O)C(=C)C 1458a_100000185857_100000731252 [0,2,0,0,0,0|0,0,2]=4 10044 B9R0.47 C#CCCCC(=O)C(C)C 1458a_100000210198_100000731252 [0,2,0,0,0,0|0,0,1]=3 10045 B9R0.47 C#CCCCC(=O)C(C)C 1458a_100000690238_100000210206 [0,2,0,0,0,0|0,0,1]=3 10046 B9R0.47 C#CCCCC(=O)C(C)F 1458a_100000062450_100000731252 [0,2,0,0,0,0|0,0,1]=3 10047 B9R0.47 C#CCCCC(=O)C(O)O 1458a_100000233687_100000731252 [0,2,0,0,0,0|1,0,1]=4 10048 B9R0.47 C#CCCCC(=O)N(C)C 11a_100102631434_100000690238 [0,2,0,0,0,0|1,0,1]=4 10049 B9R0.47 C#CCCCC(=O)N(C)C 1626a_100102631434_100000690238 [0,2,0,0,0,0|1,0,1]=4 10050 B9R0.47 C#CCCCC(=O)N(C)C 240690a_100102631434_100000690238 [0,2,0,0,0,0|1,0,1]=4 10051 B9R0.47 C#CCCCC(=O)N(C)C 527a_100102631434_100000690238 [0,2,0,0,0,0|1,0,1]=4 10052 B9R0.47 C#CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000731252 [0,2,0,0,0,0|0,0,1]=3 10053 B9R0.47 C#CCCCC(=O)[C@H](C)O 1458a_217856618621_100000731252 [0,2,0,0,0,0|0,0,1]=3 10054 B9R0.47 C#CCCNC(=O)C(C)C 11a_100000755551_100000210198 [0,2,0,0,0,0|0,0,2]=4 10055 B9R0.47 C#CCCNC(=O)C(C)C 1626a_100000755551_100000210198 [0,2,0,0,0,0|0,0,2]=4 10056 B9R0.47 C#CCCNC(=O)C(C)C 240690a_100000755551_100000210198 [0,2,0,0,0,0|0,0,2]=4 10057 B9R0.47 C#CCCNC(=O)C(C)C 527a_100000755551_100000210198 [0,2,0,0,0,0|0,0,2]=4 10058 B9R0.47 C#CCCNC(=O)C(C)F 11a_100000755551_100000062450 [0,2,0,0,0,0|0,0,2]=4 10059 B9R0.47 C#CCCNC(=O)C(C)F 1626a_100000755551_100000062450 [0,2,0,0,0,0|0,0,2]=4 10060 B9R0.47 C#CCCNC(=O)C(C)F 240690a_100000755551_100000062450 [0,2,0,0,0,0|0,0,2]=4 10061 B9R0.47 C#CCCNC(=O)C(C)F 527a_100000755551_100000062450 [0,2,0,0,0,0|0,0,2]=4 10062 B9R0.47 C#CCCNC(=O)[C@@H](C)O 240690a_100000755551_100000717761 [0,2,0,0,0,0|0,0,2]=4 10063 B9R0.47 C#CCCNC(=O)[C@H](C)O 1626a_100000755551_217856618621 [0,2,0,0,0,0|0,0,2]=4 10064 B9R0.47 C#CCCNC(=O)[C@H](C)O 240690a_100000755551_217856618621 [0,2,0,0,0,0|0,0,2]=4 10065 B9R0.47 C#CCNCC(=O)C(C)C 34a_100000212058_100000753385 [0,2,0,0,0,0|0,0,2]=4 10066 B9R0.47 C#CCOCC(=O)C(C)C 1458a_100011251226_100000210206 [0,2,0,0,0,0|0,0,2]=4 10067 B9R0.47 C#CCOCC(=O)C(C)C 34a_100000210247_100000753385 [0,2,0,0,0,0|0,0,2]=4 10068 B9R0.47 C#CCSCC(=O)C(C)C 62a_100000038162_100000753385 [0,2,0,0,0,0|0,0,2]=4 10069 B9R0.47 C=C(Br)C(=O)NCCCC 11a_100000102301_100009813364 [0,2,0,0,0,0|0,0,2]=4 10070 B9R0.47 C=C(Br)C(=O)NCCCC 1626a_100000102301_100009813364 [0,2,0,0,0,0|0,0,2]=4 10071 B9R0.47 C=C(C)C(=O)C/C=C\CC 1458a_100000185857_100103147603 [0,2,0,0,0,0|0,0,2]=4 10072 B9R0.47 C=C(C)C(=O)CC#CCC 1458a_100000185857_100009813939 [0,2,0,0,0,0|0,0,2]=4 10073 B9R0.47 C=C(C)C(=O)CCCC#N 1458a_100000185857_100000211468 [0,2,0,0,0,0|0,0,2]=4 10074 B9R0.47 C=C(C)C(=O)CCCCC 1458a_100000185857_100000210326 [0,2,0,0,0,0|0,0,1]=3 10075 B9R0.47 C=C(C)C(=O)CCCCF 1458a_100000185857_100000729493 [0,2,0,0,0,0|0,0,1]=3 10076 B9R0.47 C=C(C)C(=O)CCCCO 1458a_100000185857_100000210776 [0,2,0,0,0,0|0,0,1]=3 10077 B9R0.47 C=C(C)C(=O)CCCOC 1458a_100000185857_100000740836 [0,2,0,0,0,0|0,0,1]=3 10078 B9R0.47 C=C(C)C(=O)CCOCC 1458a_100000185857_100011215890 [0,2,0,0,0,0|0,0,1]=3 10079 B9R0.47 C=C(C)C(=O)CCSCC 1458a_100000185857_100000757381 [0,2,0,0,0,0|0,0,1]=3 10080 B9R0.47 C=C(C)C(=O)NCCCC 11a_100000102301_100000185857 [0,2,0,0,0,0|0,0,1]=3 10081 B9R0.47 C=C(C)C(=O)NCCCC 1626a_100000102301_100000185857 [0,2,0,0,0,0|0,0,1]=3 10082 B9R0.47 C=C(C)C(=O)NCCCF 11a_100015189416_100000185857 [0,2,0,0,0,0|1,0,1]=4 10083 B9R0.47 C=C(C)C(=O)NCCCF 1626a_100015189416_100000185857 [0,2,0,0,0,0|1,0,1]=4 10084 B9R0.47 C=C(C)C(=O)NCCNC 2230a_100102636416_200000210301 [0,2,0,0,0,0|1,0,1]=4 10085 B9R0.47 C=C(C)C(=O)NCCN[13CH3] 2230a_100102636416_200025704644 [0,2,0,0,0,0|1,0,1]=4 10086 B9R0.47 C=C(C)C(=O)NCCOC 1626a_100000209980_100000185857 [0,2,0,0,0,0|1,0,1]=4 10087 B9R0.47 C=C(C)C(=O)NCCSC 11a_100020590264_100000185857 [0,2,0,0,0,0|1,0,1]=4 10088 B9R0.47 C=C(C)C(=O)NCCSC 1626a_100020590264_100000185857 [0,2,0,0,0,0|1,0,1]=4 10089 B9R0.47 C=C(C)C(=O)NNCCC 22a_100000740057_100000185857 [0,2,0,0,0,0|1,0,1]=4 10090 B9R0.47 C=C(C)C(=O)OCCNC 2230a_106832991635_100009816335 [0,2,0,0,0,0|1,0,1]=4 10091 B9R0.47 C=C(C)C(=O)OCCNC 34a_100102657272_100009816335 [0,2,0,0,0,0|1,0,1]=4 10092 B9R0.47 C=C(C)C(=O)OCCNC 7a_106832991635_100009816335 [0,2,0,0,0,0|1,0,1]=4 10093 B9R0.47 C=C(C)C(=O)OCCOC 34a_100138415774_100009816335 [0,2,0,0,0,0|1,0,1]=4 10094 B9R0.47 C=C(C)C(=O)OCCSC 62a_100009816335_200000210301 [0,2,0,0,0,0|1,0,1]=4 10095 B9R0.47 C=C(C)C(=O)OCCSC 62a_200000210301_100009816335 [0,2,0,0,0,0|1,0,1]=4 10096 B9R0.47 C=C(C)C(=O)OCCS[13CH3] 62a_100009816335_200025704644 [0,2,0,0,0,0|1,0,1]=4 10097 B9R0.47 C=C(C)C(=O)OCCS[13CH3] 62a_200025704644_100009816335 [0,2,0,0,0,0|1,0,1]=4 10098 B9R0.47 C=C(Cl)C(=O)NCCCC 11a_100000102301_100000039160 [0,2,0,0,0,0|0,0,2]=4 10099 B9R0.47 C=C(Cl)C(=O)NCCCC 1626a_100000102301_100000039160 [0,2,0,0,0,0|0,0,2]=4 10100 B9R0.47 C=C(F)C(=O)NCCCC 11a_100000102301_100000036797 [0,2,0,0,0,0|0,0,2]=4 10101 B9R0.47 C=C(F)C(=O)NCCCC 1626a_100000102301_100000036797 [0,2,0,0,0,0|0,0,2]=4 10102 B9R0.47 C=CCCCC(=O)C(=C)C 1458a_100000185857_100000757094 [0,2,0,0,0,0|0,0,2]=4 10103 B9R0.47 C=CCCCC(=O)C(C)C 1458a_100000210198_100000757094 [0,2,0,0,0,0|0,0,1]=3 10104 B9R0.47 C=CCCCC(=O)C(C)C 1458a_100000766728_100000210206 [0,2,0,0,0,0|0,0,1]=3 10105 B9R0.47 C=CCCCC(=O)C(C)F 1458a_100000062450_100000757094 [0,2,0,0,0,0|0,0,1]=3 10106 B9R0.47 C=CCCCC(=O)C(O)O 1458a_100000233687_100000757094 [0,2,0,0,0,0|1,0,1]=4 10107 B9R0.47 C=CCCCC(=O)N(C)C 11a_100102631434_100000766728 [0,2,0,0,0,0|1,0,1]=4 10108 B9R0.47 C=CCCCC(=O)N(C)C 1626a_100102631434_100000766728 [0,2,0,0,0,0|1,0,1]=4 10109 B9R0.47 C=CCCCC(=O)N(C)C 240690a_100102631434_100000766728 [0,2,0,0,0,0|1,0,1]=4 10110 B9R0.47 C=CCCCC(=O)N(C)C 527a_100102631434_100000766728 [0,2,0,0,0,0|1,0,1]=4 10111 B9R0.47 C=CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000757094 [0,2,0,0,0,0|0,0,1]=3 10112 B9R0.47 C=CCCCC(=O)[C@H](C)O 1458a_217856618621_100000757094 [0,2,0,0,0,0|0,0,1]=3 10113 B9R0.47 C=CCCNC(=O)C(C)C 11a_100015191253_100000210198 [0,2,0,0,0,0|0,0,2]=4 10114 B9R0.47 C=CCCNC(=O)C(C)C 1626a_100015191253_100000210198 [0,2,0,0,0,0|0,0,2]=4 10115 B9R0.47 C=CCCNC(=O)C(C)C 240690a_100015191253_100000210198 [0,2,0,0,0,0|0,0,2]=4 10116 B9R0.47 C=CCCNC(=O)C(C)C 527a_100015191253_100000210198 [0,2,0,0,0,0|0,0,2]=4 10117 B9R0.47 C=CCCNC(=O)C(C)F 11a_100015191253_100000062450 [0,2,0,0,0,0|0,0,2]=4 10118 B9R0.47 C=CCCNC(=O)C(C)F 1626a_100015191253_100000062450 [0,2,0,0,0,0|0,0,2]=4 10119 B9R0.47 C=CCCNC(=O)C(C)F 240690a_100015191253_100000062450 [0,2,0,0,0,0|0,0,2]=4 10120 B9R0.47 C=CCCNC(=O)C(C)F 527a_100015191253_100000062450 [0,2,0,0,0,0|0,0,2]=4 10121 B9R0.47 C=CCCNC(=O)[C@@H](C)O 240690a_100015191253_100000717761 [0,2,0,0,0,0|0,0,2]=4 10122 B9R0.47 C=CCCNC(=O)[C@H](C)O 1626a_100015191253_217856618621 [0,2,0,0,0,0|0,0,2]=4 10123 B9R0.47 C=CCCNC(=O)[C@H](C)O 240690a_100015191253_217856618621 [0,2,0,0,0,0|0,0,2]=4 10124 B9R0.47 C=CCNCC(=O)C(C)C 2230a_100020586998_100000753385 [0,2,0,0,0,0|0,0,2]=4 10125 B9R0.47 C=CCOCC(=O)C(C)C 34a_200000210373_100000753385 [0,2,0,0,0,0|0,0,2]=4 10126 B9R0.47 C=CCSCC(=O)C(C)C 1458a_100000230395_100000210206 [0,2,0,0,0,0|0,0,2]=4 10127 B9R0.47 C=CCSCC(=O)C(C)C 62a_100000210623_100000753385 [0,2,0,0,0,0|0,0,2]=4 10128 B9R0.47 C=CCSCC(=O)C(C)C 62a_100000753385_100000210623 [0,2,0,0,0,0|0,0,2]=4 10129 B9R0.47 C=COCCC(=O)C(C)C 1458a_100000210198_100000039644 [0,2,0,0,0,0|0,0,2]=4 10130 B9R0.47 C=COCCC(=O)C(C)F 1458a_100000062450_100000039644 [0,2,0,0,0,0|0,0,2]=4 10131 B9R0.47 C=COCCC(=O)[C@@H](C)O 1458a_100000717761_100000039644 [0,2,0,0,0,0|0,0,2]=4 10132 B9R0.47 C=COCCC(=O)[C@H](C)O 1458a_217856618621_100000039644 [0,2,0,0,0,0|0,0,2]=4 10133 B9R0.47 CC#CCNC(=O)C(C)C 11a_100000685387_100000210198 [0,2,0,0,0,0|0,0,2]=4 10134 B9R0.47 CC#CCNC(=O)C(C)C 1626a_100000685387_100000210198 [0,2,0,0,0,0|0,0,2]=4 10135 B9R0.47 CC#CCNC(=O)C(C)C 527a_100000685387_100000210198 [0,2,0,0,0,0|0,0,2]=4 10136 B9R0.47 CC#CCNC(=O)C(C)F 11a_100000685387_100000062450 [0,2,0,0,0,0|0,0,2]=4 10137 B9R0.47 CC#CCNC(=O)C(C)F 1626a_100000685387_100000062450 [0,2,0,0,0,0|0,0,2]=4 10138 B9R0.47 CC#CCNC(=O)C(C)F 527a_100000685387_100000062450 [0,2,0,0,0,0|0,0,2]=4 10139 B9R0.47 CC#CCNC(=O)[C@H](C)O 1626a_100000685387_217856618621 [0,2,0,0,0,0|0,0,2]=4 10140 B9R0.47 CC(=O)C(=O)CNCCF 34a_100000724931_100011261029 [0,2,0,0,0,0|1,0,1]=4 10141 B9R0.47 CC(=O)C(=O)CNCCO 34a_100016990907_100011261029 [0,2,0,0,0,0|1,0,1]=4 10142 B9R0.47 CC(=O)C(=O)COCCBr 34a_100000211926_100011261029 [0,2,0,0,0,0|1,0,1]=4 10143 B9R0.47 CC(=O)C(=O)COCCN 34a_100000210304_100011261029 [0,2,0,0,0,0|1,0,1]=4 10144 B9R0.47 CC(=O)C(=O)CSCCF 62a_100011217306_100011261029 [0,2,0,0,0,0|1,0,1]=4 10145 B9R0.47 CC(=O)C(=O)CSCCF 62a_100011261029_100011217306 [0,2,0,0,0,0|1,0,1]=4 10146 B9R0.47 CC(=O)C(=O)CSCCO 62a_100000211926_100011261029 [0,2,0,0,0,0|1,0,1]=4 10147 B9R0.47 CC(=O)C(=O)CSCCO 62a_100011261029_100000211926 [0,2,0,0,0,0|1,0,1]=4 10148 B9R0.47 CC(C)C(=O)CC#CCO 1458a_100000210198_200000047223 [0,2,0,0,0,0|0,0,2]=4 10149 B9R0.47 CC(C)C(=O)CCCC#N 1458a_100000075515_100000210206 [0,2,0,0,0,0|0,0,1]=3 10150 B9R0.47 CC(C)C(=O)CCCC#N 1458a_100000210198_100000211468 [0,2,0,0,0,0|0,0,1]=3 10151 B9R0.47 CC(C)C(=O)CCCCF 1458a_100000210198_100000729493 [0,2,0,0,0,0|0,0,0]=2 10152 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000210198_100000210776 [0,2,0,0,0,0|0,0,0]=2 10153 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000695505_100000210206 [0,2,0,0,0,0|0,0,0]=2 10154 B9R0.47 CC(C)C(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210206 [0,2,0,0,0,0|2,0,0]=4 10155 B9R0.47 CC(C)C(=O)CNCCF 34a_100000724931_100000753385 [0,2,0,0,0,0|1,0,0]=3 10156 B9R0.47 CC(C)C(=O)CNCCO 2230a_100016997473_100000753385 [0,2,0,0,0,0|1,0,0]=3 10157 B9R0.47 CC(C)C(=O)CNCCO 34a_100016990907_100000753385 [0,2,0,0,0,0|1,0,0]=3 10158 B9R0.47 CC(C)C(=O)COCCBr 34a_100000211926_100000753385 [0,2,0,0,0,0|1,0,0]=3 10159 B9R0.47 CC(C)C(=O)COCCN 34a_100000210304_100000753385 [0,2,0,0,0,0|1,0,0]=3 10160 B9R0.47 CC(C)C(=O)COCCO 1458a_100000708028_100000210206 [0,2,0,0,0,0|1,0,0]=3 10161 B9R0.47 CC(C)C(=O)CSCC#N 1458a_100000150266_100000210206 [0,2,0,0,0,0|1,0,1]=4 10162 B9R0.47 CC(C)C(=O)CSCC#N 62a_100000753385_100011215382 [0,2,0,0,0,0|1,0,1]=4 10163 B9R0.47 CC(C)C(=O)CSCC#N 62a_100011215382_100000753385 [0,2,0,0,0,0|1,0,1]=4 10164 B9R0.47 CC(C)C(=O)CSCC=O 62a_100000753385_200015260668 [0,2,0,0,0,0|1,0,1]=4 10165 B9R0.47 CC(C)C(=O)CSCC=O 62a_200015260668_100000753385 [0,2,0,0,0,0|1,0,1]=4 10166 B9R0.47 CC(C)C(=O)CSCCF 62a_100000753385_100011217306 [0,2,0,0,0,0|1,0,0]=3 10167 B9R0.47 CC(C)C(=O)CSCCF 62a_100011217306_100000753385 [0,2,0,0,0,0|1,0,0]=3 10168 B9R0.47 CC(C)C(=O)CSCCO 62a_100000211926_100000753385 [0,2,0,0,0,0|1,0,0]=3 10169 B9R0.47 CC(C)C(=O)CSCCO 62a_100000753385_100000211926 [0,2,0,0,0,0|1,0,0]=3 10170 B9R0.47 CC(C)C(=O)NCCC#N 11a_100000720768_100000210198 [0,2,0,0,0,0|1,0,1]=4 10171 B9R0.47 CC(C)C(=O)NCCC#N 1626a_100000720768_100000210198 [0,2,0,0,0,0|1,0,1]=4 10172 B9R0.47 CC(C)C(=O)NCCC#N 240690a_100000720768_100000210198 [0,2,0,0,0,0|1,0,1]=4 10173 B9R0.47 CC(C)C(=O)NCCC#N 527a_100000720768_100000210198 [0,2,0,0,0,0|1,0,1]=4 10174 B9R0.47 CC(C)C(=O)NCCCF 11a_100015189416_100000210198 [0,2,0,0,0,0|1,0,0]=3 10175 B9R0.47 CC(C)C(=O)NCCCF 1626a_100015189416_100000210198 [0,2,0,0,0,0|1,0,0]=3 10176 B9R0.47 CC(C)C(=O)NCCCF 240690a_100015189416_100000210198 [0,2,0,0,0,0|1,0,0]=3 10177 B9R0.47 CC(C)C(=O)NCCCF 527a_100015189416_100000210198 [0,2,0,0,0,0|1,0,0]=3 10178 B9R0.47 CC(C)C(=O)NCCCO 240690a_100000182051_100000210198 [0,2,0,0,0,0|1,0,0]=3 10179 B9R0.47 CC(C)C(=O)NCCCO 527a_100000182051_100000210198 [0,2,0,0,0,0|1,0,0]=3 10180 B9R0.47 CC(C)C(=O)NCCN[13CH3] 2230a_100000752568_200025704644 [0,2,0,0,0,0|1,0,0]=3 10181 B9R0.47 CC(C)C(=O)NCCN[13CH3] 34a_100000752568_200025704644 [0,2,0,0,0,0|1,0,0]=3 10182 B9R0.47 CC(C)C(=O)NNCCO 22a_100000210001_100000210198 [0,2,0,0,0,0|2,0,0]=4 10183 B9R0.47 CC(C)C(=O)OCSCF 62a_100000139345_100015361967 [0,2,0,0,0,0|2,0,0]=4 10184 B9R0.47 CC(C)C(=O)OCSCF 62a_100015361967_100000139345 [0,2,0,0,0,0|2,0,0]=4 10185 B9R0.47 CC(C)N(C)CCCCF 269982a_200000211004_100000729493 [0,2,0,0,0,0|2,0,0]=4 10186 B9R0.47 CC(C)N(C)CCCCO 2230a_100000717598_100000210206 [0,2,0,0,0,0|2,0,0]=4 10187 B9R0.47 CC(C)N(C)CCCCO 2230a_100011521146_200000210301 [0,2,0,0,0,0|2,0,0]=4 10188 B9R0.47 CC(C)N(C)CCCCO 269982a_100000717598_100000210206 [0,2,0,0,0,0|2,0,0]=4 10189 B9R0.47 CC(C)N(C)CCCCO 269982a_100011521146_200000210301 [0,2,0,0,0,0|2,0,0]=4 10190 B9R0.47 CC(C)N(C)CCCCO 269982a_200000211004_100000210776 [0,2,0,0,0,0|2,0,0]=4 10191 B9R0.47 CC(C)N([13CH3])CCCCO 2230a_100011521146_200025704644 [0,2,0,0,0,0|2,0,0]=4 10192 B9R0.47 CC(C)N([13CH3])CCCCO 269982a_100011521146_200025704644 [0,2,0,0,0,0|2,0,0]=4 10193 B9R0.47 CC(F)C(=O)CC#CCO 1458a_100000062450_200000047223 [0,2,0,0,0,0|0,0,2]=4 10194 B9R0.47 CC(F)C(=O)CCCC#N 1458a_100000062450_100000211468 [0,2,0,0,0,0|0,0,1]=3 10195 B9R0.47 CC(F)C(=O)CCCCF 1458a_100000062450_100000729493 [0,2,0,0,0,0|0,0,0]=2 10196 B9R0.47 CC(F)C(=O)CCCCO 1458a_100000062450_100000210776 [0,2,0,0,0,0|0,0,0]=2 10197 B9R0.47 CC(F)C(=O)NCCC#N 11a_100000720768_100000062450 [0,2,0,0,0,0|1,0,1]=4 10198 B9R0.47 CC(F)C(=O)NCCC#N 1626a_100000720768_100000062450 [0,2,0,0,0,0|1,0,1]=4 10199 B9R0.47 CC(F)C(=O)NCCC#N 240690a_100000720768_100000062450 [0,2,0,0,0,0|1,0,1]=4 10200 B9R0.47 CC(F)C(=O)NCCC#N 527a_100000720768_100000062450 [0,2,0,0,0,0|1,0,1]=4 10201 B9R0.47 CC(F)C(=O)NCCCF 11a_100015189416_100000062450 [0,2,0,0,0,0|1,0,0]=3 10202 B9R0.47 CC(F)C(=O)NCCCF 1626a_100015189416_100000062450 [0,2,0,0,0,0|1,0,0]=3 10203 B9R0.47 CC(F)C(=O)NCCCF 240690a_100015189416_100000062450 [0,2,0,0,0,0|1,0,0]=3 10204 B9R0.47 CC(F)C(=O)NCCCF 527a_100015189416_100000062450 [0,2,0,0,0,0|1,0,0]=3 10205 B9R0.47 CC(F)C(=O)NCCCO 240690a_100000182051_100000062450 [0,2,0,0,0,0|1,0,0]=3 10206 B9R0.47 CC(F)C(=O)NCCCO 527a_100000182051_100000062450 [0,2,0,0,0,0|1,0,0]=3 10207 B9R0.47 CC(F)C(=O)NNCCO 22a_100000210001_100000062450 [0,2,0,0,0,0|2,0,0]=4 10208 B9R0.47 CC/C=C/CC(=O)C(C)C 1458a_100016274230_100000210206 [0,2,0,0,0,0|0,0,1]=3 10209 B9R0.47 CC/C=C/CC(=O)N(C)C 11a_100102631434_100016274230 [0,2,0,0,0,0|1,0,1]=4 10210 B9R0.47 CC/C=C/CC(=O)N(C)C 1626a_100102631434_100016274230 [0,2,0,0,0,0|1,0,1]=4 10211 B9R0.47 CC/C=C/CC(=O)N(C)C 240690a_100102631434_100016274230 [0,2,0,0,0,0|1,0,1]=4 10212 B9R0.47 CC/C=C/CC(=O)N(C)C 527a_100102631434_100016274230 [0,2,0,0,0,0|1,0,1]=4 10213 B9R0.47 CC/C=C\CC(=O)C(C)C 1458a_100000210198_100103147603 [0,2,0,0,0,0|0,0,1]=3 10214 B9R0.47 CC/C=C\CC(=O)C(C)F 1458a_100000062450_100103147603 [0,2,0,0,0,0|0,0,1]=3 10215 B9R0.47 CC/C=C\CC(=O)C(O)O 1458a_100000233687_100103147603 [0,2,0,0,0,0|1,0,1]=4 10216 B9R0.47 CC/C=C\CC(=O)[C@@H](C)O 1458a_100000717761_100103147603 [0,2,0,0,0,0|0,0,1]=3 10217 B9R0.47 CC/C=C\CC(=O)[C@H](C)O 1458a_217856618621_100103147603 [0,2,0,0,0,0|0,0,1]=3 10218 B9R0.47 CCC#CCC(=O)C(C)C 1458a_100000210198_100009813939 [0,2,0,0,0,0|0,0,1]=3 10219 B9R0.47 CCC#CCC(=O)C(C)F 1458a_100000062450_100009813939 [0,2,0,0,0,0|0,0,1]=3 10220 B9R0.47 CCC#CCC(=O)C(O)O 1458a_100000233687_100009813939 [0,2,0,0,0,0|1,0,1]=4 10221 B9R0.47 CCC#CCC(=O)[C@@H](C)O 1458a_100000717761_100009813939 [0,2,0,0,0,0|0,0,1]=3 10222 B9R0.47 CCC#CCC(=O)[C@H](C)O 1458a_217856618621_100009813939 [0,2,0,0,0,0|0,0,1]=3 10223 B9R0.47 CCC=NNC(=O)C(C)C 4a_100000184118_100000210100 [0,2,0,0,0,0|1,0,1]=4 10224 B9R0.47 CCCC#CC(=O)C(C)C 1458a_200011218047_100000210206 [0,2,0,0,0,0|0,0,1]=3 10225 B9R0.47 CCCC#CC(=O)N(C)C 240690a_100102631434_200011218047 [0,2,0,0,0,0|1,0,1]=4 10226 B9R0.47 CCCC=CC(=O)C(C)C 1458a_100000212230_100000210206 [0,2,0,0,0,0|0,0,1]=3 10227 B9R0.47 CCCC=CC(=O)N(C)C 11a_100102631434_100000212230 [0,2,0,0,0,0|1,0,1]=4 10228 B9R0.47 CCCC=CC(=O)N(C)C 1626a_100102631434_100000212230 [0,2,0,0,0,0|1,0,1]=4 10229 B9R0.47 CCCC=CC(=O)N(C)C 240690a_100102631434_100000212230 [0,2,0,0,0,0|1,0,1]=4 10230 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000210198_100000210326 [0,2,0,0,0,0|0,0,0]=2 10231 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000212188_100000210206 [0,2,0,0,0,0|0,0,0]=2 10232 B9R0.47 CCCCCC(=O)C(C)F 1458a_100000062450_100000210326 [0,2,0,0,0,0|0,0,0]=2 10233 B9R0.47 CCCCCC(=O)C(O)O 1458a_100000233687_100000210326 [0,2,0,0,0,0|1,0,0]=3 10234 B9R0.47 CCCCCC(=O)N(C)C 11a_100102631434_100000212188 [0,2,0,0,0,0|1,0,0]=3 10235 B9R0.47 CCCCCC(=O)N(C)C 1626a_100102631434_100000212188 [0,2,0,0,0,0|1,0,0]=3 10236 B9R0.47 CCCCCC(=O)N(C)C 240690a_100102631434_100000212188 [0,2,0,0,0,0|1,0,0]=3 10237 B9R0.47 CCCCCC(=O)N(C)C 527a_100102631434_100000212188 [0,2,0,0,0,0|1,0,0]=3 10238 B9R0.47 CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210326 [0,2,0,0,0,0|0,0,0]=2 10239 B9R0.47 CCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210326 [0,2,0,0,0,0|0,0,0]=2 10240 B9R0.47 CCCCCN(C)C(C)C 2230a_100000223495_100000210206 [0,2,0,0,0,0|2,0,0]=4 10241 B9R0.47 CCCCCN(C)C(C)C 2230a_100000223497_200000210301 [0,2,0,0,0,0|2,0,0]=4 10242 B9R0.47 CCCCCN(C)C(C)C 269982a_100000223495_100000210206 [0,2,0,0,0,0|2,0,0]=4 10243 B9R0.47 CCCCCN(C)C(C)C 269982a_100000223497_200000210301 [0,2,0,0,0,0|2,0,0]=4 10244 B9R0.47 CCCCCN(C)C(C)C 269982a_200000211004_100000210215 [0,2,0,0,0,0|2,0,0]=4 10245 B9R0.47 CCCCCN([13CH3])C(C)C 2230a_100000223497_200025704644 [0,2,0,0,0,0|2,0,0]=4 10246 B9R0.47 CCCCCN([13CH3])C(C)C 269982a_100000223497_200025704644 [0,2,0,0,0,0|2,0,0]=4 10247 B9R0.47 CCCCNC(=O)C(=O)N 240690a_100000102301_100011215815 [0,2,0,0,0,0|1,0,1]=4 10248 B9R0.47 CCCCNC(=O)C(C)C 11a_100000102301_100000210198 [0,2,0,0,0,0|0,0,0]=2 10249 B9R0.47 CCCCNC(=O)C(C)C 1626a_100000102301_100000210198 [0,2,0,0,0,0|0,0,0]=2 10250 B9R0.47 CCCCNC(=O)C(C)C 240690a_100000102301_100000210198 [0,2,0,0,0,0|0,0,0]=2 10251 B9R0.47 CCCCNC(=O)C(C)C 527a_100000102301_100000210198 [0,2,0,0,0,0|0,0,0]=2 10252 B9R0.47 CCCCNC(=O)C(C)F 11a_100000102301_100000062450 [0,2,0,0,0,0|0,0,0]=2 10253 B9R0.47 CCCCNC(=O)C(C)F 1626a_100000102301_100000062450 [0,2,0,0,0,0|0,0,0]=2 10254 B9R0.47 CCCCNC(=O)C(C)F 240690a_100000102301_100000062450 [0,2,0,0,0,0|0,0,0]=2 10255 B9R0.47 CCCCNC(=O)C(C)F 527a_100000102301_100000062450 [0,2,0,0,0,0|0,0,0]=2 10256 B9R0.47 CCCCNC(=O)C(F)F 11a_100000102301_100000210393 [0,2,0,0,0,0|1,0,0]=3 10257 B9R0.47 CCCCNC(=O)C(F)F 1626a_100000102301_100000210393 [0,2,0,0,0,0|1,0,0]=3 10258 B9R0.47 CCCCNC(=O)C(F)F 240690a_100000102301_100000210393 [0,2,0,0,0,0|1,0,0]=3 10259 B9R0.47 CCCCNC(=O)C(F)F 527a_100000102301_100000210393 [0,2,0,0,0,0|1,0,0]=3 10260 B9R0.47 CCCCNC(=O)C(O)O 240690a_100000102301_100000233687 [0,2,0,0,0,0|1,0,0]=3 10261 B9R0.47 CCCCNC(=O)N(C)C 2708a_100000102301_100102631434 [0,2,0,0,0,0|1,0,0]=3 10262 B9R0.47 CCCCNC(=O)[C@@H](C)O 240690a_100000102301_100000717761 [0,2,0,0,0,0|0,0,0]=2 10263 B9R0.47 CCCCNC(=O)[C@H](C)O 1626a_100000102301_217856618621 [0,2,0,0,0,0|0,0,0]=2 10264 B9R0.47 CCCCNC(=O)[C@H](C)O 240690a_100000102301_217856618621 [0,2,0,0,0,0|0,0,0]=2 10265 B9R0.47 CCCCNC(C)C(C)C 2230a_100000211541_100000210211 [0,2,0,0,0,0|1,0,1]=4 10266 B9R0.47 CCCCOC(C)C(C)C 7a_100000748068_100000210211 [0,2,0,0,0,0|1,0,1]=4 10267 B9R0.47 CCCNCC(=O)N(C)C 2230a_100015183351_100000210303 [0,2,0,0,0,0|1,0,0]=3 10268 B9R0.47 CCCNCC(O)C(C)C 2230a_100000759067_100000210303 [0,2,0,0,0,0|0,0,2]=4 10269 B9R0.47 CCCNCC(O)C(C)C 34a_100000759067_100000210303 [0,2,0,0,0,0|0,0,2]=4 10270 B9R0.47 CCCNN=C(C)C(C)C 4a_100000740057_100000211110 [0,2,0,0,0,0|2,0,0]=4 10271 B9R0.47 CCCNN=C(C)C(C)O 4a_100000740057_100000212229 [0,2,0,0,0,0|2,0,0]=4 10272 B9R0.47 CCCNNC(=O)C(C)C 22a_100000740057_100000210198 [0,2,0,0,0,0|1,0,0]=3 10273 B9R0.47 CCCNNC(=O)C(C)F 22a_100000740057_100000062450 [0,2,0,0,0,0|1,0,0]=3 10274 B9R0.47 CCCNNC(=O)C(F)F 22a_100000740057_100000210393 [0,2,0,0,0,0|2,0,0]=4 10275 B9R0.47 CCCNNC(=O)C(O)O 22a_100000740057_100000233687 [0,2,0,0,0,0|2,0,0]=4 10276 B9R0.47 CCCNNC(=O)[C@@H](C)O 22a_100000740057_100000717761 [0,2,0,0,0,0|1,0,0]=3 10277 B9R0.47 CCCNNC(=O)[C@H](C)O 22a_100000740057_217856618621 [0,2,0,0,0,0|1,0,0]=3 10278 B9R0.47 CCCOCC(=O)C(=O)C 34a_100000210258_100011261029 [0,2,0,0,0,0|0,0,1]=3 10279 B9R0.47 CCCOCC(=O)C(C)C 1458a_100000745993_100000210206 [0,2,0,0,0,0|0,0,0]=2 10280 B9R0.47 CCCOCC(=O)C(C)C 34a_100000210258_100000753385 [0,2,0,0,0,0|0,0,0]=2 10281 B9R0.47 CCCOCC(=O)N(C)C 11a_100102631434_100000745993 [0,2,0,0,0,0|1,0,0]=3 10282 B9R0.47 CCCOCC(=O)N(C)C 1626a_100102631434_100000745993 [0,2,0,0,0,0|1,0,0]=3 10283 B9R0.47 CCCOCC(=O)N(C)C 240690a_100102631434_100000745993 [0,2,0,0,0,0|1,0,0]=3 10284 B9R0.47 CCCOCC(=O)N(C)C 34a_100000210258_100000692301 [0,2,0,0,0,0|1,0,0]=3 10285 B9R0.47 CCCOCC(=O)N(C)C 527a_100102631434_100000745993 [0,2,0,0,0,0|1,0,0]=3 10286 B9R0.47 CCCOC[C@H](N)C(C)C 34a_100011830312_100000210303 [0,2,0,0,0,0|1,0,1]=4 10287 B9R0.47 CCCSCC(=O)C(=O)C 62a_100000210303_100011261029 [0,2,0,0,0,0|0,0,1]=3 10288 B9R0.47 CCCSCC(=O)C(=O)C 62a_100011261029_100000210303 [0,2,0,0,0,0|0,0,1]=3 10289 B9R0.47 CCCSCC(=O)C(C)C 1458a_100000217233_100000210206 [0,2,0,0,0,0|0,0,0]=2 10290 B9R0.47 CCCSCC(=O)C(C)C 62a_100000210303_100000753385 [0,2,0,0,0,0|0,0,0]=2 10291 B9R0.47 CCCSCC(=O)C(C)C 62a_100000753385_100000210303 [0,2,0,0,0,0|0,0,0]=2 10292 B9R0.47 CCCSCC(=O)N(C)C 11a_100102631434_100000217233 [0,2,0,0,0,0|1,0,0]=3 10293 B9R0.47 CCCSCC(=O)N(C)C 1626a_100102631434_100000217233 [0,2,0,0,0,0|1,0,0]=3 10294 B9R0.47 CCCSCC(=O)N(C)C 240690a_100102631434_100000217233 [0,2,0,0,0,0|1,0,0]=3 10295 B9R0.47 CCCSCC(=O)N(C)C 527a_100102631434_100000217233 [0,2,0,0,0,0|1,0,0]=3 10296 B9R0.47 CCCSCC(=O)N(C)C 62a_100000210303_100000692301 [0,2,0,0,0,0|1,0,0]=3 10297 B9R0.47 CCCSCC(=O)N(C)C 62a_100000692301_100000210303 [0,2,0,0,0,0|1,0,0]=3 10298 B9R0.47 CCNCCC(=O)N(C)C 2230a_100000738053_100000210202 [0,2,0,0,0,0|1,0,0]=3 10299 B9R0.47 CCNCCC(=O)N(C)C 2230a_100015525214_100000737620 [0,2,0,0,0,0|1,0,0]=3 10300 B9R0.47 CCOC=CC(=O)C(C)C 1458a_100016266692_100000210206 [0,2,0,0,0,0|0,0,2]=4 10301 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000210198_100011215890 [0,2,0,0,0,0|0,0,0]=2 10302 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000749530_100000210206 [0,2,0,0,0,0|0,0,0]=2 10303 B9R0.47 CCOCCC(=O)C(C)F 1458a_100000062450_100011215890 [0,2,0,0,0,0|0,0,0]=2 10304 B9R0.47 CCOCCC(=O)C(O)O 1458a_100000233687_100011215890 [0,2,0,0,0,0|1,0,0]=3 10305 B9R0.47 CCOCCC(=O)N(C)C 11a_100102631434_100000749530 [0,2,0,0,0,0|1,0,0]=3 10306 B9R0.47 CCOCCC(=O)N(C)C 1626a_100102631434_100000749530 [0,2,0,0,0,0|1,0,0]=3 10307 B9R0.47 CCOCCC(=O)N(C)C 240690a_100102631434_100000749530 [0,2,0,0,0,0|1,0,0]=3 10308 B9R0.47 CCOCCC(=O)N(C)C 34a_200000747469_100000210202 [0,2,0,0,0,0|1,0,0]=3 10309 B9R0.47 CCOCCC(=O)N(C)C 527a_100102631434_100000749530 [0,2,0,0,0,0|1,0,0]=3 10310 B9R0.47 CCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215890 [0,2,0,0,0,0|0,0,0]=2 10311 B9R0.47 CCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215890 [0,2,0,0,0,0|0,0,0]=2 10312 B9R0.47 CCOCCC(N)C(C)C 34a_100161115045_100000210202 [0,2,0,0,0,0|1,0,1]=4 10313 B9R0.47 CCOCCN(C)C(C)C 269982a_200000211004_100011215890 [0,2,0,0,0,0|2,0,0]=4 10314 B9R0.47 CCSCCC(=O)C(C)C 1458a_100000210198_100000757381 [0,2,0,0,0,0|0,0,0]=2 10315 B9R0.47 CCSCCC(=O)C(C)C 1458a_100000230768_100000210206 [0,2,0,0,0,0|0,0,0]=2 10316 B9R0.47 CCSCCC(=O)C(C)F 1458a_100000062450_100000757381 [0,2,0,0,0,0|0,0,0]=2 10317 B9R0.47 CCSCCC(=O)C(O)O 1458a_100000233687_100000757381 [0,2,0,0,0,0|1,0,0]=3 10318 B9R0.47 CCSCCC(=O)N(C)C 11a_100102631434_100000230768 [0,2,0,0,0,0|1,0,0]=3 10319 B9R0.47 CCSCCC(=O)N(C)C 1626a_100102631434_100000230768 [0,2,0,0,0,0|1,0,0]=3 10320 B9R0.47 CCSCCC(=O)N(C)C 240690a_100102631434_100000230768 [0,2,0,0,0,0|1,0,0]=3 10321 B9R0.47 CCSCCC(=O)N(C)C 527a_100102631434_100000230768 [0,2,0,0,0,0|1,0,0]=3 10322 B9R0.47 CCSCCC(=O)N(C)C 62a_100000210202_100000737620 [0,2,0,0,0,0|1,0,0]=3 10323 B9R0.47 CCSCCC(=O)N(C)C 62a_100000737620_100000210202 [0,2,0,0,0,0|1,0,0]=3 10324 B9R0.47 CCSCCC(=O)[C@@H](C)O 1458a_100000717761_100000757381 [0,2,0,0,0,0|0,0,0]=2 10325 B9R0.47 CCSCCC(=O)[C@H](C)O 1458a_217856618621_100000757381 [0,2,0,0,0,0|0,0,0]=2 10326 B9R0.47 CCSCCN(C)C(C)C 269982a_200000211004_100000757381 [0,2,0,0,0,0|2,0,0]=4 10327 B9R0.47 CCSCOC(=O)C(C)C 62a_100000139345_100000210202 [0,2,0,0,0,0|1,0,0]=3 10328 B9R0.47 CCSCOC(=O)C(C)C 62a_100000210202_100000139345 [0,2,0,0,0,0|1,0,0]=3 10329 B9R0.47 CN(C)C(=O)CCCC#N 11a_100102631434_100000075515 [0,2,0,0,0,0|1,0,1]=4 10330 B9R0.47 CN(C)C(=O)CCCC#N 1626a_100102631434_100000075515 [0,2,0,0,0,0|1,0,1]=4 10331 B9R0.47 CN(C)C(=O)CCCC#N 240690a_100102631434_100000075515 [0,2,0,0,0,0|1,0,1]=4 10332 B9R0.47 CN(C)C(=O)CCCC#N 527a_100102631434_100000075515 [0,2,0,0,0,0|1,0,1]=4 10333 B9R0.47 CN(C)C(=O)CCCCO 1626a_100102631434_100000695505 [0,2,0,0,0,0|1,0,0]=3 10334 B9R0.47 CN(C)C(=O)CCCN[13CH3] 2230a_200000744827_200025704644 [0,2,0,0,0,0|1,0,0]=3 10335 B9R0.47 CN(C)C(=O)CCCS[13CH3] 62a_100000737642_200025704644 [0,2,0,0,0,0|1,0,0]=3 10336 B9R0.47 CN(C)C(=O)CCCS[13CH3] 62a_200025704644_100000737642 [0,2,0,0,0,0|1,0,0]=3 10337 B9R0.47 CN(C)C(=O)CCOCF 34a_200000747469_100015361967 [0,2,0,0,0,0|2,0,0]=4 10338 B9R0.47 CN(C)C(=O)CCSCF 62a_100000737620_100015361967 [0,2,0,0,0,0|2,0,0]=4 10339 B9R0.47 CN(C)C(=O)CCSCF 62a_100015361967_100000737620 [0,2,0,0,0,0|2,0,0]=4 10340 B9R0.47 CN(C)C(=O)CNCCF 2230a_100015183351_100011217306 [0,2,0,0,0,0|2,0,0]=4 10341 B9R0.47 CN(C)C(=O)CNCCF 34a_100000724931_100000692301 [0,2,0,0,0,0|2,0,0]=4 10342 B9R0.47 CN(C)C(=O)CNCCO 2230a_100015183351_100000211926 [0,2,0,0,0,0|2,0,0]=4 10343 B9R0.47 CN(C)C(=O)CNCCO 2230a_100016997473_100000185267 [0,2,0,0,0,0|2,0,0]=4 10344 B9R0.47 CN(C)C(=O)CNCCO 34a_100016990907_100000692301 [0,2,0,0,0,0|2,0,0]=4 10345 B9R0.47 CN(C)C(=O)COCCBr 34a_100000211926_100000692301 [0,2,0,0,0,0|2,0,0]=4 10346 B9R0.47 CN(C)C(=O)COCCN 34a_100000210304_100000692301 [0,2,0,0,0,0|2,0,0]=4 10347 B9R0.47 CN(C)C(=O)COCCO 1626a_100102631434_100000708028 [0,2,0,0,0,0|2,0,0]=4 10348 B9R0.47 CN(C)C(=O)COCCO 240690a_100102631434_100000708028 [0,2,0,0,0,0|2,0,0]=4 10349 B9R0.47 CN(C)C(=O)CSCCF 62a_100000692301_100011217306 [0,2,0,0,0,0|2,0,0]=4 10350 B9R0.47 CN(C)C(=O)CSCCF 62a_100011217306_100000692301 [0,2,0,0,0,0|2,0,0]=4 10351 B9R0.47 CN(C)C(=O)CSCCO 62a_100000211926_100000692301 [0,2,0,0,0,0|2,0,0]=4 10352 B9R0.47 CN(C)C(=O)CSCCO 62a_100000692301_100000211926 [0,2,0,0,0,0|2,0,0]=4 10353 B9R0.47 CN(C)C(=O)NCCCF 2708a_100015189416_100102631434 [0,2,0,0,0,0|2,0,0]=4 10354 B9R0.47 CNCCCC(=O)N(C)C 2230a_106832991635_100000737642 [0,2,0,0,0,0|1,0,0]=3 10355 B9R0.47 CNCCCC(=O)N(C)C 2230a_200000744827_200000210301 [0,2,0,0,0,0|1,0,0]=3 10356 B9R0.47 CNCCCC(=O)N(C)C 7a_106832991635_100000737642 [0,2,0,0,0,0|1,0,0]=3 10357 B9R0.47 CNCCNC(=O)C(C)C 2230a_100000752568_200000210301 [0,2,0,0,0,0|1,0,0]=3 10358 B9R0.47 CNCCNC(=O)C(C)C 34a_100000752568_200000210301 [0,2,0,0,0,0|1,0,0]=3 10359 B9R0.47 COCC=CC(=O)C(C)C 1458a_100016285016_100000210206 [0,2,0,0,0,0|0,0,2]=4 10360 B9R0.47 COCCCC(=O)C(C)C 1458a_100000210198_100000740836 [0,2,0,0,0,0|0,0,0]=2 10361 B9R0.47 COCCCC(=O)C(C)C 1458a_100000741012_100000210206 [0,2,0,0,0,0|0,0,0]=2 10362 B9R0.47 COCCCC(=O)C(C)F 1458a_100000062450_100000740836 [0,2,0,0,0,0|0,0,0]=2 10363 B9R0.47 COCCCC(=O)C(O)O 1458a_100000233687_100000740836 [0,2,0,0,0,0|1,0,0]=3 10364 B9R0.47 COCCCC(=O)N(C)C 11a_100102631434_100000741012 [0,2,0,0,0,0|1,0,0]=3 10365 B9R0.47 COCCCC(=O)N(C)C 1626a_100102631434_100000741012 [0,2,0,0,0,0|1,0,0]=3 10366 B9R0.47 COCCCC(=O)N(C)C 240690a_100102631434_100000741012 [0,2,0,0,0,0|1,0,0]=3 10367 B9R0.47 COCCCC(=O)N(C)C 527a_100102631434_100000741012 [0,2,0,0,0,0|1,0,0]=3 10368 B9R0.47 COCCCC(=O)[C@@H](C)O 1458a_100000717761_100000740836 [0,2,0,0,0,0|0,0,0]=2 10369 B9R0.47 COCCCC(=O)[C@H](C)O 1458a_217856618621_100000740836 [0,2,0,0,0,0|0,0,0]=2 10370 B9R0.47 COCCCN(C)C(C)C 2230a_100000224831_100000210206 [0,2,0,0,0,0|2,0,0]=4 10371 B9R0.47 COCCCN(C)C(C)C 269982a_100000224831_100000210206 [0,2,0,0,0,0|2,0,0]=4 10372 B9R0.47 COCCCN(C)C(C)C 269982a_200000211004_100000740836 [0,2,0,0,0,0|2,0,0]=4 10373 B9R0.47 COCCNC(=O)C(C)C 1626a_100000209980_100000210198 [0,2,0,0,0,0|1,0,0]=3 10374 B9R0.47 COCCNC(=O)C(C)C 240690a_100000209980_100000210198 [0,2,0,0,0,0|1,0,0]=3 10375 B9R0.47 COCCNC(=O)C(C)C 527a_100000209980_100000210198 [0,2,0,0,0,0|1,0,0]=3 10376 B9R0.47 COCCNC(=O)C(C)F 1626a_100000209980_100000062450 [0,2,0,0,0,0|1,0,0]=3 10377 B9R0.47 COCCNC(=O)C(C)F 240690a_100000209980_100000062450 [0,2,0,0,0,0|1,0,0]=3 10378 B9R0.47 COCCNC(=O)C(C)F 527a_100000209980_100000062450 [0,2,0,0,0,0|1,0,0]=3 10379 B9R0.47 COCCNC(=O)C(F)F 1626a_100000209980_100000210393 [0,2,0,0,0,0|2,0,0]=4 10380 B9R0.47 COCCNC(=O)C(F)F 240690a_100000209980_100000210393 [0,2,0,0,0,0|2,0,0]=4 10381 B9R0.47 COCCNC(=O)C(F)F 527a_100000209980_100000210393 [0,2,0,0,0,0|2,0,0]=4 10382 B9R0.47 COCCNC(=O)C(O)O 240690a_100000209980_100000233687 [0,2,0,0,0,0|2,0,0]=4 10383 B9R0.47 COCCNC(=O)[C@@H](C)O 240690a_100000209980_100000717761 [0,2,0,0,0,0|1,0,0]=3 10384 B9R0.47 COCCNC(=O)[C@H](C)O 1626a_100000209980_217856618621 [0,2,0,0,0,0|1,0,0]=3 10385 B9R0.47 COCCNC(=O)[C@H](C)O 240690a_100000209980_217856618621 [0,2,0,0,0,0|1,0,0]=3 10386 B9R0.47 COCNCC(=O)N(C)C 2230a_100015183351_100000766300 [0,2,0,0,0,0|2,0,0]=4 10387 B9R0.47 COCSCC(=O)C(=O)C 62a_100000766300_100011261029 [0,2,0,0,0,0|1,0,1]=4 10388 B9R0.47 COCSCC(=O)C(=O)C 62a_100011261029_100000766300 [0,2,0,0,0,0|1,0,1]=4 10389 B9R0.47 COCSCC(=O)C(C)C 62a_100000753385_100000766300 [0,2,0,0,0,0|1,0,0]=3 10390 B9R0.47 COCSCC(=O)C(C)C 62a_100000766300_100000753385 [0,2,0,0,0,0|1,0,0]=3 10391 B9R0.47 COCSCC(=O)N(C)C 62a_100000692301_100000766300 [0,2,0,0,0,0|2,0,0]=4 10392 B9R0.47 COCSCC(=O)N(C)C 62a_100000766300_100000692301 [0,2,0,0,0,0|2,0,0]=4 10393 B9R0.47 CSCCCC(=O)C(C)C 1458a_100000173376_100000210206 [0,2,0,0,0,0|0,0,0]=2 10394 B9R0.47 CSCCCC(=O)N(C)C 11a_100102631434_100000173376 [0,2,0,0,0,0|1,0,0]=3 10395 B9R0.47 CSCCCC(=O)N(C)C 1626a_100102631434_100000173376 [0,2,0,0,0,0|1,0,0]=3 10396 B9R0.47 CSCCCC(=O)N(C)C 240690a_100102631434_100000173376 [0,2,0,0,0,0|1,0,0]=3 10397 B9R0.47 CSCCCC(=O)N(C)C 527a_100102631434_100000173376 [0,2,0,0,0,0|1,0,0]=3 10398 B9R0.47 CSCCCC(=O)N(C)C 62a_100000737642_200000210301 [0,2,0,0,0,0|1,0,0]=3 10399 B9R0.47 CSCCCC(=O)N(C)C 62a_200000210301_100000737642 [0,2,0,0,0,0|1,0,0]=3 10400 B9R0.47 CSCCNC(=O)C(C)C 11a_100020590264_100000210198 [0,2,0,0,0,0|1,0,0]=3 10401 B9R0.47 CSCCNC(=O)C(C)C 1626a_100020590264_100000210198 [0,2,0,0,0,0|1,0,0]=3 10402 B9R0.47 CSCCNC(=O)C(C)C 240690a_100020590264_100000210198 [0,2,0,0,0,0|1,0,0]=3 10403 B9R0.47 CSCCNC(=O)C(C)C 527a_100020590264_100000210198 [0,2,0,0,0,0|1,0,0]=3 10404 B9R0.47 CSCCNC(=O)C(C)F 11a_100020590264_100000062450 [0,2,0,0,0,0|1,0,0]=3 10405 B9R0.47 CSCCNC(=O)C(C)F 1626a_100020590264_100000062450 [0,2,0,0,0,0|1,0,0]=3 10406 B9R0.47 CSCCNC(=O)C(C)F 240690a_100020590264_100000062450 [0,2,0,0,0,0|1,0,0]=3 10407 B9R0.47 CSCCNC(=O)C(C)F 527a_100020590264_100000062450 [0,2,0,0,0,0|1,0,0]=3 10408 B9R0.47 CSCCNC(=O)C(F)F 11a_100020590264_100000210393 [0,2,0,0,0,0|2,0,0]=4 10409 B9R0.47 CSCCNC(=O)C(F)F 1626a_100020590264_100000210393 [0,2,0,0,0,0|2,0,0]=4 10410 B9R0.47 CSCCNC(=O)C(F)F 240690a_100020590264_100000210393 [0,2,0,0,0,0|2,0,0]=4 10411 B9R0.47 CSCCNC(=O)C(F)F 527a_100020590264_100000210393 [0,2,0,0,0,0|2,0,0]=4 10412 B9R0.47 CSCCNC(=O)C(O)O 240690a_100020590264_100000233687 [0,2,0,0,0,0|2,0,0]=4 10413 B9R0.47 CSCCNC(=O)N(C)C 2708a_100020590264_100102631434 [0,2,0,0,0,0|2,0,0]=4 10414 B9R0.47 CSCCNC(=O)[C@@H](C)O 240690a_100020590264_100000717761 [0,2,0,0,0,0|1,0,0]=3 10415 B9R0.47 CSCCNC(=O)[C@H](C)O 1626a_100020590264_217856618621 [0,2,0,0,0,0|1,0,0]=3 10416 B9R0.47 CSCCNC(=O)[C@H](C)O 240690a_100020590264_217856618621 [0,2,0,0,0,0|1,0,0]=3 10417 B9R0.47 CSCNCC(=O)N(C)C 2230a_100015183351_100011218213 [0,2,0,0,0,0|2,0,0]=4 10418 B9R0.47 CSCSCC(=O)C(=O)C 62a_100011218213_100011261029 [0,2,0,0,0,0|1,0,1]=4 10419 B9R0.47 CSCSCC(=O)C(=O)C 62a_100011261029_100011218213 [0,2,0,0,0,0|1,0,1]=4 10420 B9R0.47 CSCSCC(=O)C(C)C 62a_100000753385_100011218213 [0,2,0,0,0,0|1,0,0]=3 10421 B9R0.47 CSCSCC(=O)C(C)C 62a_100011218213_100000753385 [0,2,0,0,0,0|1,0,0]=3 10422 B9R0.47 CSCSCC(=O)N(C)C 62a_100000692301_100011218213 [0,2,0,0,0,0|2,0,0]=4 10423 B9R0.47 CSCSCC(=O)N(C)C 62a_100011218213_100000692301 [0,2,0,0,0,0|2,0,0]=4 10424 B9R0.47 C[C@@H](O)C(=O)CC#CCO 1458a_100000717761_200000047223 [0,2,0,0,0,0|0,0,2]=4 10425 B9R0.47 C[C@@H](O)C(=O)CCCC#N 1458a_100000717761_100000211468 [0,2,0,0,0,0|0,0,1]=3 10426 B9R0.47 C[C@@H](O)C(=O)CCCCF 1458a_100000717761_100000729493 [0,2,0,0,0,0|0,0,0]=2 10427 B9R0.47 C[C@@H](O)C(=O)CCCCO 1458a_100000717761_100000210776 [0,2,0,0,0,0|0,0,0]=2 10428 B9R0.47 C[C@@H](O)C(=O)NCCC#N 240690a_100000720768_100000717761 [0,2,0,0,0,0|1,0,1]=4 10429 B9R0.47 C[C@@H](O)C(=O)NCCCF 240690a_100015189416_100000717761 [0,2,0,0,0,0|1,0,0]=3 10430 B9R0.47 C[C@@H](O)C(=O)NCCCO 240690a_100000182051_100000717761 [0,2,0,0,0,0|1,0,0]=3 10431 B9R0.47 C[C@@H](O)C(=O)NNCCO 22a_100000210001_100000717761 [0,2,0,0,0,0|2,0,0]=4 10432 B9R0.47 C[C@H](O)C(=O)CC#CCO 1458a_217856618621_200000047223 [0,2,0,0,0,0|0,0,2]=4 10433 B9R0.47 C[C@H](O)C(=O)CCCC#N 1458a_217856618621_100000211468 [0,2,0,0,0,0|0,0,1]=3 10434 B9R0.47 C[C@H](O)C(=O)CCCCF 1458a_217856618621_100000729493 [0,2,0,0,0,0|0,0,0]=2 10435 B9R0.47 C[C@H](O)C(=O)CCCCO 1458a_217856618621_100000210776 [0,2,0,0,0,0|0,0,0]=2 10436 B9R0.47 C[C@H](O)C(=O)NCCC#N 1626a_100000720768_217856618621 [0,2,0,0,0,0|1,0,1]=4 10437 B9R0.47 C[C@H](O)C(=O)NCCC#N 240690a_100000720768_217856618621 [0,2,0,0,0,0|1,0,1]=4 10438 B9R0.47 C[C@H](O)C(=O)NCCCF 1626a_100015189416_217856618621 [0,2,0,0,0,0|1,0,0]=3 10439 B9R0.47 C[C@H](O)C(=O)NCCCF 240690a_100015189416_217856618621 [0,2,0,0,0,0|1,0,0]=3 10440 B9R0.47 C[C@H](O)C(=O)NCCCO 240690a_100000182051_217856618621 [0,2,0,0,0,0|1,0,0]=3 10441 B9R0.47 C[C@H](O)C(=O)NNCCO 22a_100000210001_217856618621 [0,2,0,0,0,0|2,0,0]=4 10442 B9R0.47 N#CCCCC(=O)C(O)O 1458a_100000233687_100000211468 [0,2,0,0,0,0|1,0,1]=4 10443 B9R0.47 O=C(CCCCF)C(O)O 1458a_100000233687_100000729493 [0,2,0,0,0,0|1,0,0]=3 10444 B9R0.47 O=C(CCCCO)C(O)O 1458a_100000233687_100000210776 [0,2,0,0,0,0|1,0,0]=3 10445 B9R0.47 O=C(NCCCF)C(F)F 11a_100015189416_100000210393 [0,2,0,0,0,0|2,0,0]=4 10446 B9R0.47 O=C(NCCCF)C(F)F 1626a_100015189416_100000210393 [0,2,0,0,0,0|2,0,0]=4 10447 B9R0.47 O=C(NCCCF)C(F)F 240690a_100015189416_100000210393 [0,2,0,0,0,0|2,0,0]=4 10448 B9R0.47 O=C(NCCCF)C(F)F 527a_100015189416_100000210393 [0,2,0,0,0,0|2,0,0]=4 10449 B9R0.47 O=C(NCCCF)C(O)O 240690a_100015189416_100000233687 [0,2,0,0,0,0|2,0,0]=4 10450 B9R0.47 O=C(NCCCO)C(F)F 240690a_100000182051_100000210393 [0,2,0,0,0,0|2,0,0]=4 10451 B9R0.47 O=C(NCCCO)C(F)F 527a_100000182051_100000210393 [0,2,0,0,0,0|2,0,0]=4 10452 B9R0.47 O=C(NCCCO)C(O)O 240690a_100000182051_100000233687 [0,2,0,0,0,0|2,0,0]=4 10453 B9R0.50 C#CC(CC)OCCCC 34a_100000758843_100000210210 [0,2,0,0,0,0|1,0,1]=4 10454 B9R0.50 C#CC(CC)OCCCC 7a_100000758843_100000210211 [0,2,0,0,0,0|1,0,1]=4 10455 B9R0.50 C=CC(=NNCCC)CC 4a_100000740057_100000747743 [0,2,0,0,0,0|2,0,0]=4 10456 B9R0.50 C=CC(CC)OCCCC 34a_100000766422_100000210210 [0,2,0,0,0,0|1,0,1]=4 10457 B9R0.50 C=CC(CC)OCCCC 7a_100000766422_100000210211 [0,2,0,0,0,0|1,0,1]=4 10458 B9R0.50 CCCCCC(CC)NC 270004a_106832991635_100011215316 [0,2,0,0,0,0|1,0,1]=4 10459 B9R0.50 CCCCCC(CC)OC 34a_100011215405_200000210301 [0,2,0,0,0,0|0,0,2]=4 10460 B9R0.50 CCCCCC(CC)OC 7a_100011215405_200000210301 [0,2,0,0,0,0|0,0,2]=4 10461 B9R0.50 CCCCCC(CC)O[13CH3] 34a_100011215405_200025704644 [0,2,0,0,0,0|0,0,2]=4 10462 B9R0.50 CCCCCC(CC)O[13CH3] 7a_100011215405_200025704644 [0,2,0,0,0,0|0,0,2]=4 10463 B9R0.50 CCCCCN(CC)CC 2230a_100000724800_100000210326 [0,2,0,0,0,0|2,0,0]=4 10464 B9R0.50 CCCCCN(CC)CC 269956a_100000042499_100000210326 [0,2,0,0,0,0|2,0,0]=4 10465 B9R0.50 CCCCCN(CC)CC 269982a_100000724800_100000210215 [0,2,0,0,0,0|2,0,0]=4 10466 B9R0.50 CCCCNC(CC)CC 2230a_100000199018_100000210211 [0,2,0,0,0,0|1,0,1]=4 10467 B9R0.50 CCCCNC(CC)CC 270004a_100000102301_100000210860 [0,2,0,0,0,0|1,0,1]=4 10468 B9R0.50 CCCCNC(CC)CC 7a_106832991798_100000210505 [0,2,0,0,0,0|1,0,1]=4 10469 B9R0.50 CCCCN[C@@H](CC)CO 2230a_100000709445_100000210211 [0,2,0,0,0,0|0,0,2]=4 10470 B9R0.50 CCCCOC(CC)CC 7a_100000210227_100000210505 [0,2,0,0,0,0|1,0,1]=4 10471 B9R0.50 CCCCOC(CC)CC 7a_100000688536_100000210211 [0,2,0,0,0,0|1,0,1]=4 10472 B9R0.50 CCCCSC(CC)CC 62a_100000210211_100000210505 [0,2,0,0,0,0|1,0,1]=4 10473 B9R0.50 CCCCSC(CC)CC 62a_100000210505_100000210210 [0,2,0,0,0,0|1,0,1]=4 10474 B9R0.50 CCCNCC(CC)CC 2230a_100102946423_100000210303 [0,2,0,0,0,0|1,0,1]=4 10475 B9R0.50 CCCNCC(CC)CC 269862a_100020643023_100000211137 [0,2,0,0,0,0|1,0,1]=4 10476 B9R0.50 CCCNCC(CC)CC 270004a_100020643023_100000211137 [0,2,0,0,0,0|1,0,1]=4 10477 B9R0.50 CCCNN=C(CC)CC 4a_100000740057_100000210860 [0,2,0,0,0,0|2,0,0]=4 10478 B9R0.50 CCCNN=C(CC)CO 4a_100000740057_100000725409 [0,2,0,0,0,0|1,0,1]=4 10479 B9R0.50 CCCOCC(CC)CC 34a_100000210258_100011215472 [0,2,0,0,0,0|1,0,1]=4 10480 B9R0.50 CCCOCC(CC)CC 7a_100000703878_100000210303 [0,2,0,0,0,0|1,0,1]=4 10481 B9R0.50 CCCOCC(CC)OC 34a_100011934954_100000210303 [0,2,0,0,0,0|0,0,2]=4 10482 B9R0.50 CCCOCC(CC)OC 7a_100011934954_100000210303 [0,2,0,0,0,0|0,0,2]=4 10483 B9R0.50 CCCOCN(CC)CC 7a_200015374951_100000210303 [0,2,0,0,0,0|2,0,0]=4 10484 B9R0.50 CCCSCC(CC)CC 62a_100000210303_100011215472 [0,2,0,0,0,0|1,0,1]=4 10485 B9R0.50 CCCSCC(CC)CC 62a_100011215472_100000210303 [0,2,0,0,0,0|1,0,1]=4 10486 B9R0.50 CCN(CC)CCCCF 2230a_100000724800_100000729493 [0,2,0,0,0,0|2,0,0]=4 10487 B9R0.50 CCN(CC)CCCCF 269956a_100000042499_100000729493 [0,2,0,0,0,0|2,0,0]=4 10488 B9R0.50 CCN(CC)CCCCF 269982a_100000724800_100000729493 [0,2,0,0,0,0|2,0,0]=4 10489 B9R0.50 CCN(CC)CCCCO 2230a_100000724800_100000210776 [0,2,0,0,0,0|2,0,0]=4 10490 B9R0.50 CCN(CC)CCCCO 2230a_100011217355_100000210202 [0,2,0,0,0,0|2,0,0]=4 10491 B9R0.50 CCN(CC)CCCCO 269956a_100000042499_100000210776 [0,2,0,0,0,0|2,0,0]=4 10492 B9R0.50 CCN(CC)CCCCO 269982a_100000724800_100000210776 [0,2,0,0,0,0|2,0,0]=4 10493 B9R0.50 CCN(CC)CCCCO 269982a_100011217355_100000204670 [0,2,0,0,0,0|2,0,0]=4 10494 B9R0.50 CCN(CC)CCCNC 2230a_106832991635_100000709985 [0,2,0,0,0,0|2,0,0]=4 10495 B9R0.50 CCN(CC)CCCNC 7a_106832991635_100000709985 [0,2,0,0,0,0|2,0,0]=4 10496 B9R0.50 CCN(CC)CCCOC 2230a_100000724800_100000740836 [0,2,0,0,0,0|2,0,0]=4 10497 B9R0.50 CCN(CC)CCCOC 269956a_100000042499_100000740836 [0,2,0,0,0,0|2,0,0]=4 10498 B9R0.50 CCN(CC)CCCOC 269982a_100000724800_100000740836 [0,2,0,0,0,0|2,0,0]=4 10499 B9R0.50 CCN(CC)CCCOC 7a_100000212844_200000210301 [0,2,0,0,0,0|2,0,0]=4 10500 B9R0.50 CCN(CC)CCCO[13CH3] 7a_100000212844_200025704644 [0,2,0,0,0,0|2,0,0]=4 10501 B9R0.50 CCN(CC)CCCSC 62a_200000210301_100000709985 [0,2,0,0,0,0|2,0,0]=4 10502 B9R0.50 CCN(CC)CCCS[13CH3] 62a_200025704644_100000709985 [0,2,0,0,0,0|2,0,0]=4 10503 B9R0.50 CCN(CF)CCCCO 269982a_100011217355_100015361967 [0,2,0,0,0,0|2,0,0]=4 10504 B9R0.50 CCNCCN(CC)CC 2230a_100015382049_100000210202 [0,2,0,0,0,0|2,0,0]=4 10505 B9R0.50 CCNCCN(CC)CC 2230a_100015525214_100000700428 [0,2,0,0,0,0|2,0,0]=4 10506 B9R0.50 CCOCCN(CC)CC 2230a_100000724800_100011215890 [0,2,0,0,0,0|2,0,0]=4 10507 B9R0.50 CCOCCN(CC)CC 269956a_100000042499_100000210147 [0,2,0,0,0,0|2,0,0]=4 10508 B9R0.50 CCOCCN(CC)CC 269982a_100000724800_100011215890 [0,2,0,0,0,0|2,0,0]=4 10509 B9R0.50 CCOCCN(CC)CC 7a_100016990331_100000210202 [0,2,0,0,0,0|2,0,0]=4 10510 B9R0.50 CCSCCN(CC)CC 2230a_100000724800_100000757381 [0,2,0,0,0,0|2,0,0]=4 10511 B9R0.50 CCSCCN(CC)CC 269956a_100000042499_100000757381 [0,2,0,0,0,0|2,0,0]=4 10512 B9R0.50 CCSCCN(CC)CC 269982a_100000724800_100000757381 [0,2,0,0,0,0|2,0,0]=4 10513 B9R0.50 CCSCCN(CC)CC 62a_100000210202_100000700428 [0,2,0,0,0,0|2,0,0]=4 10514 B9R0.3 C#CCCC(=O)C(C)(C)C 1458a_106744555173_100000753159 [0,2,0,0,0,0|0,0,2]=4 10515 B9R0.3 C#CCCC(=O)C(C)(C)F 1458a_100000765255_100000753159 [0,2,0,0,0,0|0,0,2]=4 10516 B9R0.3 C#CCCC(=O)C(C)(C)O 1458a_100000242741_100000753159 [0,2,0,0,0,0|0,0,2]=4 10517 B9R0.3 C/C=C/CC(=O)C(C)(C)C 1458a_106744555173_100102629194 [0,2,0,0,0,0|0,0,2]=4 10518 B9R0.3 C/C=C/CC(=O)C(C)(C)F 1458a_100000765255_100102629194 [0,2,0,0,0,0|0,0,2]=4 10519 B9R0.3 C/C=C/CC(=O)C(C)(C)O 1458a_100000242741_100102629194 [0,2,0,0,0,0|0,0,2]=4 10520 B9R0.3 C=CCCC(=O)C(C)(C)C 1458a_106744555173_100000754431 [0,2,0,0,0,0|0,0,2]=4 10521 B9R0.3 C=CCCC(=O)C(C)(C)F 1458a_100000765255_100000754431 [0,2,0,0,0,0|0,0,2]=4 10522 B9R0.3 C=CCCC(=O)C(C)(C)O 1458a_100000242741_100000754431 [0,2,0,0,0,0|0,0,2]=4 10523 B9R0.3 CC#CCC(=O)C(C)(C)C 1458a_106744555173_100000748600 [0,2,0,0,0,0|0,0,2]=4 10524 B9R0.3 CC#CCC(=O)C(C)(C)F 1458a_100000765255_100000748600 [0,2,0,0,0,0|0,0,2]=4 10525 B9R0.3 CC#CCC(=O)C(C)(C)O 1458a_100000242741_100000748600 [0,2,0,0,0,0|0,0,2]=4 10526 B9R0.3 CC(C)(C)C(=O)CCC#N 1458a_106744555173_100011215226 [0,2,0,0,0,0|1,0,1]=4 10527 B9R0.3 CC(C)(C)C(=O)CCCF 1458a_106744555173_100011934791 [0,2,0,0,0,0|1,0,0]=3 10528 B9R0.3 CC(C)(C)C(=O)CCCO 1458a_106744555173_100011215043 [0,2,0,0,0,0|1,0,0]=3 10529 B9R0.3 CC(C)(C)C(=O)COCF 34a_200011592769_100015361967 [0,2,0,0,0,0|2,0,0]=4 10530 B9R0.3 CC(C)(C)C(=O)COCF 7a_200011592769_100015361967 [0,2,0,0,0,0|2,0,0]=4 10531 B9R0.3 CC(C)(C)C(=O)CSCF 62a_100000210923_100015361967 [0,2,0,0,0,0|2,0,0]=4 10532 B9R0.3 CC(C)(C)C(=O)CSCF 62a_100015361967_100000210923 [0,2,0,0,0,0|2,0,0]=4 10533 B9R0.3 CC(C)(C)C(=O)NCCF 11a_100000724931_106744555173 [0,2,0,0,0,0|2,0,0]=4 10534 B9R0.3 CC(C)(C)C(=O)NCCF 1626a_100000724931_106744555173 [0,2,0,0,0,0|2,0,0]=4 10535 B9R0.3 CC(C)(C)C(=O)NCCF 240690a_100000724931_106744555173 [0,2,0,0,0,0|2,0,0]=4 10536 B9R0.3 CC(C)(C)C(=O)NCCF 527a_100000724931_106744555173 [0,2,0,0,0,0|2,0,0]=4 10537 B9R0.3 CC(C)(C)C(=O)NCCO 240690a_100000210304_106744555173 [0,2,0,0,0,0|2,0,0]=4 10538 B9R0.3 CC(C)(C)C(=O)NCCO 527a_100000210304_106744555173 [0,2,0,0,0,0|2,0,0]=4 10539 B9R0.3 CC(C)(C)C(=O)OCS[13CH3] 62a_100000032063_200025704644 [0,2,0,0,0,0|2,0,0]=4 10540 B9R0.3 CC(C)(C)C(=O)OCS[13CH3] 62a_200025704644_100000032063 [0,2,0,0,0,0|2,0,0]=4 10541 B9R0.3 CC(C)(F)C(=O)CCC#N 1458a_100000765255_100011215226 [0,2,0,0,0,0|1,0,1]=4 10542 B9R0.3 CC(C)(F)C(=O)CCCF 1458a_100000765255_100011934791 [0,2,0,0,0,0|1,0,0]=3 10543 B9R0.3 CC(C)(F)C(=O)CCCO 1458a_100000765255_100011215043 [0,2,0,0,0,0|1,0,0]=3 10544 B9R0.3 CC(C)(F)C(=O)NCCF 11a_100000724931_100000765255 [0,2,0,0,0,0|2,0,0]=4 10545 B9R0.3 CC(C)(F)C(=O)NCCF 1626a_100000724931_100000765255 [0,2,0,0,0,0|2,0,0]=4 10546 B9R0.3 CC(C)(F)C(=O)NCCF 240690a_100000724931_100000765255 [0,2,0,0,0,0|2,0,0]=4 10547 B9R0.3 CC(C)(F)C(=O)NCCF 527a_100000724931_100000765255 [0,2,0,0,0,0|2,0,0]=4 10548 B9R0.3 CC(C)(F)C(=O)NCCO 240690a_100000210304_100000765255 [0,2,0,0,0,0|2,0,0]=4 10549 B9R0.3 CC(C)(F)C(=O)NCCO 527a_100000210304_100000765255 [0,2,0,0,0,0|2,0,0]=4 10550 B9R0.3 CC(C)(O)C(=O)CCC#N 1458a_100000242741_100011215226 [0,2,0,0,0,0|1,0,1]=4 10551 B9R0.3 CC(C)(O)C(=O)CCCF 1458a_100000242741_100011934791 [0,2,0,0,0,0|1,0,0]=3 10552 B9R0.3 CC(C)(O)C(=O)CCCO 1458a_100000242741_100011215043 [0,2,0,0,0,0|1,0,0]=3 10553 B9R0.3 CC(C)(O)C(=O)NCCF 240690a_100000724931_100000242741 [0,2,0,0,0,0|2,0,0]=4 10554 B9R0.3 CC(C)(O)C(=O)NCCO 240690a_100000210304_100000242741 [0,2,0,0,0,0|2,0,0]=4 10555 B9R0.3 CC(F)(F)C(=O)NCCF 11a_100000724931_100000042251 [0,2,0,0,0,0|2,0,0]=4 10556 B9R0.3 CC(F)(F)C(=O)NCCF 1626a_100000724931_100000042251 [0,2,0,0,0,0|2,0,0]=4 10557 B9R0.3 CC(F)(F)C(=O)NCCF 240690a_100000724931_100000042251 [0,2,0,0,0,0|2,0,0]=4 10558 B9R0.3 CC(F)(F)C(=O)NCCF 527a_100000724931_100000042251 [0,2,0,0,0,0|2,0,0]=4 10559 B9R0.3 CC(F)(F)C(=O)NCCO 240690a_100000210304_100000042251 [0,2,0,0,0,0|2,0,0]=4 10560 B9R0.3 CC(F)(F)C(=O)NCCO 527a_100000210304_100000042251 [0,2,0,0,0,0|2,0,0]=4 10561 B9R0.3 CC=CCC(=O)C(C)(C)C 1458a_106744555173_100000070051 [0,2,0,0,0,0|0,0,2]=4 10562 B9R0.3 CC=CCC(=O)C(C)(C)F 1458a_100000765255_100000070051 [0,2,0,0,0,0|0,0,2]=4 10563 B9R0.3 CC=CCC(=O)C(C)(C)O 1458a_100000242741_100000070051 [0,2,0,0,0,0|0,0,2]=4 10564 B9R0.3 CCCCC(=O)C(C)(C)C 1458a_106744555173_100000210211 [0,2,0,0,0,0|0,0,0]=2 10565 B9R0.3 CCCCC(=O)C(C)(C)F 1458a_100000765255_100000210211 [0,2,0,0,0,0|0,0,0]=2 10566 B9R0.3 CCCCC(=O)C(C)(C)O 1458a_100000242741_100000210211 [0,2,0,0,0,0|0,0,0]=2 10567 B9R0.3 CCCCC(=O)C(F)(F)F 1458a_100000210183_200000243211 [0,2,0,0,0,0|1,0,0]=3 10568 B9R0.3 CCCCC(=O)C(F)(F)F 1458a_100015355933_100000210211 [0,2,0,0,0,0|1,0,0]=3 10569 B9R0.3 CCCCN(C)C(C)(C)C 269982a_100000207549_100000210625 [0,2,0,0,0,0|2,0,0]=4 10570 B9R0.3 CCCCN(C)C(C)(C)C 269982a_100011215553_100000210211 [0,2,0,0,0,0|2,0,0]=4 10571 B9R0.3 CCCNC(=O)C(C)(C)C 11a_100020643023_106744555173 [0,2,0,0,0,0|1,0,0]=3 10572 B9R0.3 CCCNC(=O)C(C)(C)C 1626a_100020643023_106744555173 [0,2,0,0,0,0|1,0,0]=3 10573 B9R0.3 CCCNC(=O)C(C)(C)C 240690a_100020643023_106744555173 [0,2,0,0,0,0|1,0,0]=3 10574 B9R0.3 CCCNC(=O)C(C)(C)C 527a_100020643023_106744555173 [0,2,0,0,0,0|1,0,0]=3 10575 B9R0.3 CCCNC(=O)C(C)(C)F 11a_100020643023_100000765255 [0,2,0,0,0,0|1,0,0]=3 10576 B9R0.3 CCCNC(=O)C(C)(C)F 1626a_100020643023_100000765255 [0,2,0,0,0,0|1,0,0]=3 10577 B9R0.3 CCCNC(=O)C(C)(C)F 240690a_100020643023_100000765255 [0,2,0,0,0,0|1,0,0]=3 10578 B9R0.3 CCCNC(=O)C(C)(C)F 527a_100020643023_100000765255 [0,2,0,0,0,0|1,0,0]=3 10579 B9R0.3 CCCNC(=O)C(C)(C)O 240690a_100020643023_100000242741 [0,2,0,0,0,0|1,0,0]=3 10580 B9R0.3 CCCNC(=O)C(C)(F)F 11a_100020643023_100000042251 [0,2,0,0,0,0|1,0,0]=3 10581 B9R0.3 CCCNC(=O)C(C)(F)F 1626a_100020643023_100000042251 [0,2,0,0,0,0|1,0,0]=3 10582 B9R0.3 CCCNC(=O)C(C)(F)F 240690a_100020643023_100000042251 [0,2,0,0,0,0|1,0,0]=3 10583 B9R0.3 CCCNC(=O)C(C)(F)F 527a_100020643023_100000042251 [0,2,0,0,0,0|1,0,0]=3 10584 B9R0.3 CCCNC(=O)C(F)(F)F 11a_100020643023_100015355933 [0,2,0,0,0,0|2,0,0]=4 10585 B9R0.3 CCCNC(=O)C(F)(F)F 1626a_100020643023_100015355933 [0,2,0,0,0,0|2,0,0]=4 10586 B9R0.3 CCCNC(=O)C(F)(F)F 240690a_100020643023_100015355933 [0,2,0,0,0,0|2,0,0]=4 10587 B9R0.3 CCCNC(=O)C(F)(F)F 527a_100020643023_100000210220 [0,2,0,0,0,0|2,0,0]=4 10588 B9R0.3 CCNNC(=O)C(C)(C)C 22a_100000756455_106744555173 [0,2,0,0,0,0|2,0,0]=4 10589 B9R0.3 CCNNC(=O)C(C)(C)F 22a_100000756455_100000765255 [0,2,0,0,0,0|2,0,0]=4 10590 B9R0.3 CCNNC(=O)C(C)(C)O 22a_100000756455_100000242741 [0,2,0,0,0,0|2,0,0]=4 10591 B9R0.3 CCNNC(=O)C(C)(F)F 22a_100000756455_100000042251 [0,2,0,0,0,0|2,0,0]=4 10592 B9R0.3 CCOCC(=O)C(C)(C)C 34a_100121572206_100000229897 [0,2,0,0,0,0|1,0,0]=3 10593 B9R0.3 CCOCC(=O)C(C)(C)C 34a_200011592769_100000210202 [0,2,0,0,0,0|1,0,0]=3 10594 B9R0.3 CCOCC(=O)C(C)(C)C 7a_200011592769_100000210202 [0,2,0,0,0,0|1,0,0]=3 10595 B9R0.3 CCOCC(=O)C(F)(F)F 1458a_100000211967_200000243211 [0,2,0,0,0,0|2,0,0]=4 10596 B9R0.3 CCOCC(=O)C(F)(F)F 34a_100121572206_100000002480 [0,2,0,0,0,0|2,0,0]=4 10597 B9R0.3 CCSCC(=O)C(C)(C)C 62a_100000210202_100000210923 [0,2,0,0,0,0|1,0,0]=3 10598 B9R0.3 CCSCC(=O)C(C)(C)C 62a_100000210923_100000210202 [0,2,0,0,0,0|1,0,0]=3 10599 B9R0.3 CCSCC(=O)C(F)(F)F 1458a_100000230394_200000243211 [0,2,0,0,0,0|2,0,0]=4 10600 B9R0.3 CCSCC(=O)C(F)(F)F 62a_100000002480_100000210202 [0,2,0,0,0,0|2,0,0]=4 10601 B9R0.3 CCSCC(=O)C(F)(F)F 62a_100000210202_100000002480 [0,2,0,0,0,0|2,0,0]=4 10602 B9R0.3 COCCC(=O)C(C)(C)C 1458a_106744555173_100000233755 [0,2,0,0,0,0|1,0,0]=3 10603 B9R0.3 COCCC(=O)C(C)(C)F 1458a_100000765255_100000233755 [0,2,0,0,0,0|1,0,0]=3 10604 B9R0.3 COCCC(=O)C(C)(C)O 1458a_100000242741_100000233755 [0,2,0,0,0,0|1,0,0]=3 10605 B9R0.3 COCCC(=O)C(F)(F)F 1458a_100000749529_200000243211 [0,2,0,0,0,0|2,0,0]=4 10606 B9R0.3 COCCC(=O)C(F)(F)F 1458a_100015355933_100000233755 [0,2,0,0,0,0|2,0,0]=4 10607 B9R0.3 CSCCC(=O)C(C)(C)C 1458a_106744555173_100000751147 [0,2,0,0,0,0|1,0,0]=3 10608 B9R0.3 CSCCC(=O)C(C)(C)F 1458a_100000765255_100000751147 [0,2,0,0,0,0|1,0,0]=3 10609 B9R0.3 CSCCC(=O)C(C)(C)O 1458a_100000242741_100000751147 [0,2,0,0,0,0|1,0,0]=3 10610 B9R0.3 CSCCC(=O)C(F)(F)F 1458a_100000174002_200000243211 [0,2,0,0,0,0|2,0,0]=4 10611 B9R0.3 CSCCC(=O)C(F)(F)F 1458a_100015355933_100000751147 [0,2,0,0,0,0|2,0,0]=4 10612 B9R0.3 CSCOC(=O)C(C)(C)C 62a_100000032063_200000210301 [0,2,0,0,0,0|2,0,0]=4 10613 B9R0.3 CSCOC(=O)C(C)(C)C 62a_200000210301_100000032063 [0,2,0,0,0,0|2,0,0]=4 10614 B9R0.3 O=C(CCCF)C(F)(F)F 1458a_100015355933_100011934791 [0,2,0,0,0,0|2,0,0]=4 10615 B9R0.3 O=C(CCCO)C(F)(F)F 1458a_100015355933_100011215043 [0,2,0,0,0,0|2,0,0]=4 10616 B9R0.3 [2H]C([2H])([2H])C(=O)NCCC 11a_100020643023_200015216371 [0,2,0,0,0,0|2,0,0]=4 10617 B9R0.3 [2H]C([2H])([2H])C(=O)NCCC 1626a_100020643023_200015216371 [0,2,0,0,0,0|2,0,0]=4 10618 B9R0.3 [2H]C([2H])([2H])C(=O)NCCC 240690a_100020643023_200015216371 [0,2,0,0,0,0|2,0,0]=4 10619 B9R0.3 [2H]C([2H])([2H])C(=O)NCCC 527a_100020643023_200015216371 [0,2,0,0,0,0|2,0,0]=4 10620 B9R0.7 C=C(C)C(=O)CCC(C)C 1458a_100000185857_100000210312 [0,2,0,0,0,0|0,0,1]=3 10621 B9R0.7 C=C(C)C(=O)CCC(C)O 1458a_100000185857_100012276601 [0,2,0,0,0,0|0,0,1]=3 10622 B9R0.7 C=C(C)C(=O)NCC(C)C 11a_100000210953_100000185857 [0,2,0,0,0,0|1,0,1]=4 10623 B9R0.7 C=C(C)C(=O)NCC(C)C 1626a_100000210953_100000185857 [0,2,0,0,0,0|1,0,1]=4 10624 B9R0.7 C=C(C)C(=O)NCC(C)O 11a_100000210904_100000185857 [0,2,0,0,0,0|1,0,1]=4 10625 B9R0.7 C=C(C)CCC(=O)C(=C)C 1458a_100000185857_100000730704 [0,2,0,0,0,0|0,0,2]=4 10626 B9R0.7 C=C(C)CCC(=O)C(C)C 1458a_100000210198_100000730704 [0,2,0,0,0,0|0,0,1]=3 10627 B9R0.7 C=C(C)CCC(=O)C(C)C 1458a_200000688413_100000210206 [0,2,0,0,0,0|0,0,1]=3 10628 B9R0.7 C=C(C)CCC(=O)C(C)F 1458a_100000062450_100000730704 [0,2,0,0,0,0|0,0,1]=3 10629 B9R0.7 C=C(C)CCC(=O)C(O)O 1458a_100000233687_100000730704 [0,2,0,0,0,0|1,0,1]=4 10630 B9R0.7 C=C(C)CCC(=O)N(C)C 11a_100102631434_200000688413 [0,2,0,0,0,0|1,0,1]=4 10631 B9R0.7 C=C(C)CCC(=O)N(C)C 1626a_100102631434_200000688413 [0,2,0,0,0,0|1,0,1]=4 10632 B9R0.7 C=C(C)CCC(=O)N(C)C 240690a_100102631434_200000688413 [0,2,0,0,0,0|1,0,1]=4 10633 B9R0.7 C=C(C)CCC(=O)N(C)C 527a_100102631434_200000688413 [0,2,0,0,0,0|1,0,1]=4 10634 B9R0.7 C=C(C)CCC(=O)[C@@H](C)O 1458a_100000717761_100000730704 [0,2,0,0,0,0|0,0,1]=3 10635 B9R0.7 C=C(C)CCC(=O)[C@H](C)O 1458a_217856618621_100000730704 [0,2,0,0,0,0|0,0,1]=3 10636 B9R0.7 C=C(C)CNC(=O)C(C)C 11a_100000765925_100000210198 [0,2,0,0,0,0|1,0,1]=4 10637 B9R0.7 C=C(C)CNC(=O)C(C)C 1626a_100000765925_100000210198 [0,2,0,0,0,0|1,0,1]=4 10638 B9R0.7 C=C(C)CNC(=O)C(C)C 240690a_100000765925_100000210198 [0,2,0,0,0,0|1,0,1]=4 10639 B9R0.7 C=C(C)CNC(=O)C(C)C 527a_100000765925_100000210198 [0,2,0,0,0,0|1,0,1]=4 10640 B9R0.7 C=C(C)CNC(=O)C(C)F 11a_100000765925_100000062450 [0,2,0,0,0,0|1,0,1]=4 10641 B9R0.7 C=C(C)CNC(=O)C(C)F 1626a_100000765925_100000062450 [0,2,0,0,0,0|1,0,1]=4 10642 B9R0.7 C=C(C)CNC(=O)C(C)F 240690a_100000765925_100000062450 [0,2,0,0,0,0|1,0,1]=4 10643 B9R0.7 C=C(C)CNC(=O)C(C)F 527a_100000765925_100000062450 [0,2,0,0,0,0|1,0,1]=4 10644 B9R0.7 C=C(C)CNC(=O)[C@@H](C)O 240690a_100000765925_100000717761 [0,2,0,0,0,0|1,0,1]=4 10645 B9R0.7 C=C(C)CNC(=O)[C@H](C)O 1626a_100000765925_217856618621 [0,2,0,0,0,0|1,0,1]=4 10646 B9R0.7 C=C(C)CNC(=O)[C@H](C)O 240690a_100000765925_217856618621 [0,2,0,0,0,0|1,0,1]=4 10647 B9R0.7 CC(=CCC(=O)C(C)C)C 1458a_100000210198_100000761012 [0,2,0,0,0,0|0,0,2]=4 10648 B9R0.7 CC(=CCC(=O)C(C)C)C 1458a_100011220947_100000210206 [0,2,0,0,0,0|0,0,2]=4 10649 B9R0.7 CC(=CCC(=O)C(C)F)C 1458a_100000062450_100000761012 [0,2,0,0,0,0|0,0,2]=4 10650 B9R0.7 CC(=CCC(=O)[C@@H](C)O)C 1458a_100000717761_100000761012 [0,2,0,0,0,0|0,0,2]=4 10651 B9R0.7 CC(=CCC(=O)[C@H](C)O)C 1458a_217856618621_100000761012 [0,2,0,0,0,0|0,0,2]=4 10652 B9R0.7 CC(=O)C(=O)CNC(C)C 34a_100138425928_100011261029 [0,2,0,0,0,0|1,0,1]=4 10653 B9R0.7 CC(=O)C(=O)COC(C)C 34a_100000212225_100011261029 [0,2,0,0,0,0|1,0,1]=4 10654 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100000210206_100011261029 [0,2,0,0,0,0|1,0,1]=4 10655 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100011261029_100000210206 [0,2,0,0,0,0|1,0,1]=4 10656 B9R0.7 CC(=O)C(=O)NCC(C)C 1458a_200011297155_200000210301 [0,2,0,0,0,0|1,0,1]=4 10657 B9R0.7 CC(=O)CCC(=O)N(C)C 1458a_100011200748_200000210301 [0,2,0,0,0,0|1,0,1]=4 10658 B9R0.7 CC(=O)CNC(=O)C(C)C 1458a_100000194582_200000210301 [0,2,0,0,0,0|1,0,1]=4 10659 B9R0.7 CC(=O)COC(=O)C(C)C 1458a_100000070787_100000139345 [0,2,0,0,0,0|1,0,1]=4 10660 B9R0.7 CC(=O)NCC(=O)C(C)C 1458a_100000194580_100000210206 [0,2,0,0,0,0|1,0,1]=4 10661 B9R0.7 CC(=O)OCC(=O)C(C)C 1458a_100000183556_100000210206 [0,2,0,0,0,0|1,0,1]=4 10662 B9R0.7 CC(=O)SCC(=O)C(C)C 1458a_100000049016_100000210206 [0,2,0,0,0,0|1,0,1]=4 10663 B9R0.7 CC(C)C(=O)CCC(=O)N 1458a_100011215257_100000210206 [0,2,0,0,0,0|1,0,1]=4 10664 B9R0.7 CC(C)C(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210206 [0,2,0,0,0,0|2,0,0]=4 10665 B9R0.7 CC(C)C(=O)CC[S+](C)C 1458a_100009452791_100000210206 [0,2,0,0,0,0|1,0,0]=3 10666 B9R0.7 CC(C)C(=O)COC(F)F 1458a_200000719455_100000210206 [0,2,0,0,0,0|2,0,0]=4 10667 B9R0.7 CC(C)C(=O)CSC(F)F 1458a_114828291038_100000210206 [0,2,0,0,0,0|2,0,0]=4 10668 B9R0.7 CC(C)C(=O)NCC(=O)[13CH3] 1458a_100000194582_200025704644 [0,2,0,0,0,0|1,0,1]=4 10669 B9R0.7 CC(C)C(=O)NCC(F)F 11a_100000765723_100000210198 [0,2,0,0,0,0|2,0,0]=4 10670 B9R0.7 CC(C)C(=O)NCC(F)F 1626a_100000765723_100000210198 [0,2,0,0,0,0|2,0,0]=4 10671 B9R0.7 CC(C)C(=O)NCC(F)F 240690a_100000765723_100000210198 [0,2,0,0,0,0|2,0,0]=4 10672 B9R0.7 CC(C)C(=O)NCC(F)F 527a_100000765723_100000210198 [0,2,0,0,0,0|2,0,0]=4 10673 B9R0.7 CC(C)C=CC(=O)C(C)C 1458a_100016268746_100000210206 [0,2,0,0,0,0|0,0,2]=4 10674 B9R0.7 CC(C)CCC(=O)C(C)C 1458a_100000181311_100000210206 [0,2,0,0,0,0|0,0,0]=2 10675 B9R0.7 CC(C)CCC(=O)C(C)C 1458a_100000210198_100000210312 [0,2,0,0,0,0|0,0,0]=2 10676 B9R0.7 CC(C)CCC(=O)C(C)F 1458a_100000062450_100000210312 [0,2,0,0,0,0|0,0,0]=2 10677 B9R0.7 CC(C)CCC(=O)C(O)O 1458a_100000233687_100000210312 [0,2,0,0,0,0|1,0,0]=3 10678 B9R0.7 CC(C)CCC(=O)N(C)C 11a_100102631434_100000181311 [0,2,0,0,0,0|1,0,0]=3 10679 B9R0.7 CC(C)CCC(=O)N(C)C 1626a_100102631434_100000181311 [0,2,0,0,0,0|1,0,0]=3 10680 B9R0.7 CC(C)CCC(=O)N(C)C 240690a_100102631434_100000181311 [0,2,0,0,0,0|1,0,0]=3 10681 B9R0.7 CC(C)CCC(=O)N(C)C 527a_100102631434_100000181311 [0,2,0,0,0,0|1,0,0]=3 10682 B9R0.7 CC(C)CCC(=O)[C@@H](C)O 1458a_100000717761_100000210312 [0,2,0,0,0,0|0,0,0]=2 10683 B9R0.7 CC(C)CCC(=O)[C@H](C)O 1458a_217856618621_100000210312 [0,2,0,0,0,0|0,0,0]=2 10684 B9R0.7 CC(C)CCN(C)C(C)C 2230a_100000742789_100000210206 [0,2,0,0,0,0|2,0,0]=4 10685 B9R0.7 CC(C)CCN(C)C(C)C 269982a_100000742789_100000210206 [0,2,0,0,0,0|2,0,0]=4 10686 B9R0.7 CC(C)CCN(C)C(C)C 269982a_200000211004_100000210312 [0,2,0,0,0,0|2,0,0]=4 10687 B9R0.7 CC(C)CNC(=O)C(=O)[13CH3] 1458a_200011297155_200025704644 [0,2,0,0,0,0|1,0,1]=4 10688 B9R0.7 CC(C)CNC(=O)C(C)C 11a_100000210953_100000210198 [0,2,0,0,0,0|1,0,0]=3 10689 B9R0.7 CC(C)CNC(=O)C(C)C 1626a_100000210953_100000210198 [0,2,0,0,0,0|1,0,0]=3 10690 B9R0.7 CC(C)CNC(=O)C(C)C 240690a_100000210953_100000210198 [0,2,0,0,0,0|1,0,0]=3 10691 B9R0.7 CC(C)CNC(=O)C(C)C 527a_100000210953_100000210198 [0,2,0,0,0,0|1,0,0]=3 10692 B9R0.7 CC(C)CNC(=O)C(C)F 11a_100000210953_100000062450 [0,2,0,0,0,0|1,0,0]=3 10693 B9R0.7 CC(C)CNC(=O)C(C)F 1626a_100000210953_100000062450 [0,2,0,0,0,0|1,0,0]=3 10694 B9R0.7 CC(C)CNC(=O)C(C)F 240690a_100000210953_100000062450 [0,2,0,0,0,0|1,0,0]=3 10695 B9R0.7 CC(C)CNC(=O)C(C)F 527a_100000210953_100000062450 [0,2,0,0,0,0|1,0,0]=3 10696 B9R0.7 CC(C)CNC(=O)C(F)F 11a_100000210953_100000210393 [0,2,0,0,0,0|2,0,0]=4 10697 B9R0.7 CC(C)CNC(=O)C(F)F 1626a_100000210953_100000210393 [0,2,0,0,0,0|2,0,0]=4 10698 B9R0.7 CC(C)CNC(=O)C(F)F 240690a_100000210953_100000210393 [0,2,0,0,0,0|2,0,0]=4 10699 B9R0.7 CC(C)CNC(=O)C(F)F 527a_100000210953_100000210393 [0,2,0,0,0,0|2,0,0]=4 10700 B9R0.7 CC(C)CNC(=O)C(O)O 240690a_100000210953_100000233687 [0,2,0,0,0,0|2,0,0]=4 10701 B9R0.7 CC(C)CNC(=O)N(C)C 2708a_100000210953_100102631434 [0,2,0,0,0,0|2,0,0]=4 10702 B9R0.7 CC(C)CNC(=O)[C@@H](C)O 240690a_100000210953_100000717761 [0,2,0,0,0,0|1,0,0]=3 10703 B9R0.7 CC(C)CNC(=O)[C@H](C)O 1626a_100000210953_217856618621 [0,2,0,0,0,0|1,0,0]=3 10704 B9R0.7 CC(C)CNC(=O)[C@H](C)O 240690a_100000210953_217856618621 [0,2,0,0,0,0|1,0,0]=3 10705 B9R0.7 CC(C)NCC(=O)C(C)C 2230a_100138425928_100000753385 [0,2,0,0,0,0|1,0,0]=3 10706 B9R0.7 CC(C)NCC(=O)C(C)C 34a_100138425928_100000753385 [0,2,0,0,0,0|1,0,0]=3 10707 B9R0.7 CC(C)NCC(=O)N(C)C 2230a_100015183351_100000210206 [0,2,0,0,0,0|2,0,0]=4 10708 B9R0.7 CC(C)NCC(=O)N(C)C 2230a_100138425928_100000185267 [0,2,0,0,0,0|2,0,0]=4 10709 B9R0.7 CC(C)NCC(=O)N(C)C 34a_100138425928_100000692301 [0,2,0,0,0,0|2,0,0]=4 10710 B9R0.7 CC(C)NNC(=O)C(C)C 22a_100000741168_100000210198 [0,2,0,0,0,0|2,0,0]=4 10711 B9R0.7 CC(C)NNC(=O)C(C)F 22a_100000741168_100000062450 [0,2,0,0,0,0|2,0,0]=4 10712 B9R0.7 CC(C)NNC(=O)[C@@H](C)O 22a_100000741168_100000717761 [0,2,0,0,0,0|2,0,0]=4 10713 B9R0.7 CC(C)NNC(=O)[C@H](C)O 22a_100000741168_217856618621 [0,2,0,0,0,0|2,0,0]=4 10714 B9R0.7 CC(C)OCC(=O)C(C)C 1458a_100000745533_100000210206 [0,2,0,0,0,0|1,0,0]=3 10715 B9R0.7 CC(C)OCC(=O)C(C)C 34a_100000212225_100000753385 [0,2,0,0,0,0|1,0,0]=3 10716 B9R0.7 CC(C)OCC(=O)N(C)C 11a_100102631434_100000745533 [0,2,0,0,0,0|2,0,0]=4 10717 B9R0.7 CC(C)OCC(=O)N(C)C 1626a_100102631434_100000745533 [0,2,0,0,0,0|2,0,0]=4 10718 B9R0.7 CC(C)OCC(=O)N(C)C 240690a_100102631434_100000745533 [0,2,0,0,0,0|2,0,0]=4 10719 B9R0.7 CC(C)OCC(=O)N(C)C 34a_100000212225_100000692301 [0,2,0,0,0,0|2,0,0]=4 10720 B9R0.7 CC(C)OCC(=O)N(C)C 527a_100102631434_100000745533 [0,2,0,0,0,0|2,0,0]=4 10721 B9R0.7 CC(C)SCC(=O)C(C)C 1458a_100000241585_100000210206 [0,2,0,0,0,0|1,0,0]=3 10722 B9R0.7 CC(C)SCC(=O)C(C)C 62a_100000210206_100000753385 [0,2,0,0,0,0|1,0,0]=3 10723 B9R0.7 CC(C)SCC(=O)C(C)C 62a_100000753385_100000210206 [0,2,0,0,0,0|1,0,0]=3 10724 B9R0.7 CC(C)SCC(=O)N(C)C 11a_100102631434_100000241585 [0,2,0,0,0,0|2,0,0]=4 10725 B9R0.7 CC(C)SCC(=O)N(C)C 1626a_100102631434_100000241585 [0,2,0,0,0,0|2,0,0]=4 10726 B9R0.7 CC(C)SCC(=O)N(C)C 240690a_100102631434_100000241585 [0,2,0,0,0,0|2,0,0]=4 10727 B9R0.7 CC(C)SCC(=O)N(C)C 527a_100102631434_100000241585 [0,2,0,0,0,0|2,0,0]=4 10728 B9R0.7 CC(C)SCC(=O)N(C)C 62a_100000210206_100000692301 [0,2,0,0,0,0|2,0,0]=4 10729 B9R0.7 CC(C)SCC(=O)N(C)C 62a_100000692301_100000210206 [0,2,0,0,0,0|2,0,0]=4 10730 B9R0.7 CC(F)C(=O)NCC(F)F 11a_100000765723_100000062450 [0,2,0,0,0,0|2,0,0]=4 10731 B9R0.7 CC(F)C(=O)NCC(F)F 1626a_100000765723_100000062450 [0,2,0,0,0,0|2,0,0]=4 10732 B9R0.7 CC(F)C(=O)NCC(F)F 240690a_100000765723_100000062450 [0,2,0,0,0,0|2,0,0]=4 10733 B9R0.7 CC(F)C(=O)NCC(F)F 527a_100000765723_100000062450 [0,2,0,0,0,0|2,0,0]=4 10734 B9R0.7 CC(O)CCC(=O)C(C)C 1458a_100000210198_100012276601 [0,2,0,0,0,0|0,0,0]=2 10735 B9R0.7 CC(O)CCC(=O)C(C)F 1458a_100000062450_100012276601 [0,2,0,0,0,0|0,0,0]=2 10736 B9R0.7 CC(O)CCC(=O)C(O)O 1458a_100000233687_100012276601 [0,2,0,0,0,0|1,0,0]=3 10737 B9R0.7 CC(O)CCC(=O)N(C)C 1626a_100102631434_100000718519 [0,2,0,0,0,0|1,0,0]=3 10738 B9R0.7 CC(O)CCC(=O)[C@@H](C)O 1458a_100000717761_100012276601 [0,2,0,0,0,0|0,0,0]=2 10739 B9R0.7 CC(O)CCC(=O)[C@H](C)O 1458a_217856618621_100012276601 [0,2,0,0,0,0|0,0,0]=2 10740 B9R0.7 CC(O)CCN(C)C(C)C 269982a_200000211004_100012276601 [0,2,0,0,0,0|2,0,0]=4 10741 B9R0.7 CC(O)CNC(=O)C(C)C 11a_100000210904_100000210198 [0,2,0,0,0,0|1,0,0]=3 10742 B9R0.7 CC(O)CNC(=O)C(C)C 240690a_100000210904_100000210198 [0,2,0,0,0,0|1,0,0]=3 10743 B9R0.7 CC(O)CNC(=O)C(C)C 527a_100000210904_100000210198 [0,2,0,0,0,0|1,0,0]=3 10744 B9R0.7 CC(O)CNC(=O)C(C)F 11a_100000210904_100000062450 [0,2,0,0,0,0|1,0,0]=3 10745 B9R0.7 CC(O)CNC(=O)C(C)F 240690a_100000210904_100000062450 [0,2,0,0,0,0|1,0,0]=3 10746 B9R0.7 CC(O)CNC(=O)C(C)F 527a_100000210904_100000062450 [0,2,0,0,0,0|1,0,0]=3 10747 B9R0.7 CC(O)CNC(=O)C(F)F 11a_100000210904_100000210393 [0,2,0,0,0,0|2,0,0]=4 10748 B9R0.7 CC(O)CNC(=O)C(F)F 240690a_100000210904_100000210393 [0,2,0,0,0,0|2,0,0]=4 10749 B9R0.7 CC(O)CNC(=O)C(F)F 527a_100000210904_100000210393 [0,2,0,0,0,0|2,0,0]=4 10750 B9R0.7 CC(O)CNC(=O)C(O)O 240690a_100000210904_100000233687 [0,2,0,0,0,0|2,0,0]=4 10751 B9R0.7 CC(O)CNC(=O)[C@@H](C)O 240690a_100000210904_100000717761 [0,2,0,0,0,0|1,0,0]=3 10752 B9R0.7 CC(O)CNC(=O)[C@H](C)O 240690a_100000210904_217856618621 [0,2,0,0,0,0|1,0,0]=3 10753 B9R0.7 CN(C)C(=O)CCC(=O)[13CH3] 1458a_100011200748_200025704644 [0,2,0,0,0,0|1,0,1]=4 10754 B9R0.7 CN(C)C(=O)CC[S+](C)C 11a_100102631434_100009452791 [0,2,0,0,0,0|2,0,0]=4 10755 B9R0.7 CN(C)C(=O)CC[S+](C)C 1626a_100102631434_100009452791 [0,2,0,0,0,0|2,0,0]=4 10756 B9R0.7 CN(C)C(=O)CC[S+](C)C 240690a_100102631434_100009452791 [0,2,0,0,0,0|2,0,0]=4 10757 B9R0.7 CN(C)CCC(=O)N(C)C 11a_100102631434_100000689311 [0,2,0,0,0,0|2,0,0]=4 10758 B9R0.7 CN(C)CCC(=O)N(C)C 2230a_100102631434_100000737620 [0,2,0,0,0,0|2,0,0]=4 10759 B9R0.7 CN(C)CCC(=O)N(C)C 240690a_100102631434_100000689311 [0,2,0,0,0,0|2,0,0]=4 10760 B9R0.7 CN(C)CCC(=O)N(C)C 269982a_100102631434_100000737620 [0,2,0,0,0,0|2,0,0]=4 10761 B9R0.7 CN(C)CCC(=O)N(C)C 527a_100102631434_100000689311 [0,2,0,0,0,0|2,0,0]=4 10762 B9R0.7 C[C@@H](O)C(=O)NCC(F)F 240690a_100000765723_100000717761 [0,2,0,0,0,0|2,0,0]=4 10763 B9R0.7 C[C@H](O)C(=O)NCC(F)F 1626a_100000765723_217856618621 [0,2,0,0,0,0|2,0,0]=4 10764 B9R0.7 C[C@H](O)C(=O)NCC(F)F 240690a_100000765723_217856618621 [0,2,0,0,0,0|2,0,0]=4 10765 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000070787_200011216223 [0,2,0,0,0,0|0,0,1]=3 10766 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000211130_200000210301 [0,2,0,0,0,0|0,0,1]=3 10767 B9R0.13 CCCCC(CC)C(=O)[13CH3] 1458a_100000211130_200025704644 [0,2,0,0,0,0|0,0,1]=3 10768 B9R0.13 CCCCC(CC)N(C)C 269982a_100102631434_200011216223 [0,2,0,0,0,0|1,0,1]=4 10769 B9R0.13 CCCCC(CC)N(C)C 270004a_100102631434_100000753412 [0,2,0,0,0,0|1,0,1]=4 10770 B9R0.13 CCCCC(NC)C(=O)N 2230a_106832991635_100000748834 [0,2,0,0,0,0|1,0,1]=4 10771 B9R0.13 CCCCC(NC)C(=O)N 34a_100102657272_100000748834 [0,2,0,0,0,0|1,0,1]=4 10772 B9R0.13 CCCCC(NC)C(=O)N 7a_106832991635_100000748834 [0,2,0,0,0,0|1,0,1]=4 10773 B9R0.13 CCCCC(NC)C(C)C 270004a_106832991635_200011215219 [0,2,0,0,0,0|1,0,1]=4 10774 B9R0.13 CCCCC(OC)C(=O)N 34a_100138415774_100000748834 [0,2,0,0,0,0|1,0,1]=4 10775 B9R0.13 CCCCC(SC)C(=O)N 62a_100000748834_200000210301 [0,2,0,0,0,0|1,0,1]=4 10776 B9R0.13 CCCCC(SC)C(=O)N 62a_200000210301_100000748834 [0,2,0,0,0,0|1,0,1]=4 10777 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_100000748834_200025704644 [0,2,0,0,0,0|1,0,1]=4 10778 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_200025704644_100000748834 [0,2,0,0,0,0|1,0,1]=4 10779 B9R0.13 CCCCN(CC)C(=O)C 11a_100000207695_100015343762 [0,2,0,0,0,0|1,0,0]=3 10780 B9R0.13 CCCCN(CC)C(=O)C 1626a_100000207695_100015343762 [0,2,0,0,0,0|1,0,0]=3 10781 B9R0.13 CCCCN(CC)C(=O)C 240690a_100000207695_100015343762 [0,2,0,0,0,0|1,0,0]=3 10782 B9R0.13 CCCCN(CC)C(=O)C 527a_100000207695_100103153847 [0,2,0,0,0,0|1,0,0]=3 10783 B9R0.13 CCCCN(CC)C(C)C 2230a_100000207398_100000210202 [0,2,0,0,0,0|2,0,0]=4 10784 B9R0.13 CCCCN(CC)C(C)C 2230a_100000207695_100000210206 [0,2,0,0,0,0|2,0,0]=4 10785 B9R0.13 CCCCN(CC)C(C)C 2230a_100000223864_100000210211 [0,2,0,0,0,0|2,0,0]=4 10786 B9R0.13 CCCCN(CC)C(C)C 269982a_100000207398_100000204670 [0,2,0,0,0,0|2,0,0]=4 10787 B9R0.13 CCCCN(CC)C(C)C 269982a_100000207695_100000210206 [0,2,0,0,0,0|2,0,0]=4 10788 B9R0.13 CCCCN(CC)C(C)C 269982a_100000223864_100000210211 [0,2,0,0,0,0|2,0,0]=4 10789 B9R0.13 CCCCN(CF)C(C)C 269982a_100000207398_100015361967 [0,2,0,0,0,0|2,0,0]=4 10790 B9R0.13 CCCC[C@H](NC)C(=O)N 2230a_100000124899_200000210301 [0,2,0,0,0,0|1,0,1]=4 10791 B9R0.13 CCCC[C@H](NC)C(=O)N 34a_100000124899_200000210301 [0,2,0,0,0,0|1,0,1]=4 10792 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 2230a_100000124899_200025704644 [0,2,0,0,0,0|1,0,1]=4 10793 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 34a_100000124899_200025704644 [0,2,0,0,0,0|1,0,1]=4 10794 B9R0.13 CCCNC(CC)C(=O)N 2230a_100000733705_100000210303 [0,2,0,0,0,0|1,0,1]=4 10795 B9R0.13 CCCNC(CC)C(=O)N 34a_100000733705_100000210303 [0,2,0,0,0,0|1,0,1]=4 10796 B9R0.13 CCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210207 [0,2,0,0,0,0|1,0,1]=4 10797 B9R0.13 CCCOC(CC)C(=O)N 34a_100000210258_100000750255 [0,2,0,0,0,0|1,0,1]=4 10798 B9R0.13 CCCSC(CC)C(=O)N 62a_100000210303_100000750255 [0,2,0,0,0,0|1,0,1]=4 10799 B9R0.13 CCCSC(CC)C(=O)N 62a_100000750255_100000210303 [0,2,0,0,0,0|1,0,1]=4 10800 B9R0.13 CCN(CCOC)C(=O)C 11a_100000731262_100015343762 [0,2,0,0,0,0|2,0,0]=4 10801 B9R0.13 CCN(CCOC)C(=O)C 1626a_100000731262_100015343762 [0,2,0,0,0,0|2,0,0]=4 10802 B9R0.13 CCN(CCOC)C(=O)C 240690a_100000731262_100015343762 [0,2,0,0,0,0|2,0,0]=4 10803 B9R0.13 CCN(CCOC)C(=O)C 527a_100000731262_100103153847 [0,2,0,0,0,0|2,0,0]=4 10804 B9R0.42 C=C(C)C(=O)CC(=O)CC 1458a_100000185857_100000747405 [0,2,0,0,0,0|0,0,2]=4 10805 B9R0.42 C=C(C)C(=O)CC(C)CC 1458a_100000185857_100000748023 [0,2,0,0,0,0|0,0,1]=3 10806 B9R0.42 C=C(C)C(=O)CC(O)CC 1458a_100000185857_100011218378 [0,2,0,0,0,0|0,0,1]=3 10807 B9R0.42 C=C(C)C(=O)C[C@@H](C)CC 1458a_100000185857_100009816398 [0,2,0,0,0,0|0,0,1]=3 10808 B9R0.42 C=C(C)C(=O)C[C@@H](C)CO 1458a_100000185857_100000059175 [0,2,0,0,0,0|1,0,1]=4 10809 B9R0.42 C=C(C)C(=O)NC(C)CC 11a_100000209981_100000185857 [0,2,0,0,0,0|1,0,1]=4 10810 B9R0.42 C=C(C)C(=O)NC(C)CC 1626a_100000209981_100000185857 [0,2,0,0,0,0|1,0,1]=4 10811 B9R0.42 C=CC(C)CC(=O)C(C)C 1458a_100011934298_100000210206 [0,2,0,0,0,0|0,0,2]=4 10812 B9R0.42 CC(C)C(=O)CC(=O)CO 1458a_100000210174_100000753385 [0,2,0,0,0,0|1,0,1]=4 10813 B9R0.42 CC(C)C(=O)C[C@@H](C)CO 1458a_100000210198_100000059175 [0,2,0,0,0,0|1,0,0]=3 10814 B9R0.42 CC(C)C(=O)N[C@H](C)CF 11a_100102880703_100000210198 [0,2,0,0,0,0|2,0,0]=4 10815 B9R0.42 CC(C)C(=O)N[C@H](C)CF 1626a_100102880703_100000210198 [0,2,0,0,0,0|2,0,0]=4 10816 B9R0.42 CC(C)C(=O)N[C@H](C)CF 240690a_100102880703_100000210198 [0,2,0,0,0,0|2,0,0]=4 10817 B9R0.42 CC(C)C(=O)N[C@H](C)CF 527a_100102880703_100000210198 [0,2,0,0,0,0|2,0,0]=4 10818 B9R0.42 CC(C)C(=O)N[C@H](C)CO 240690a_100000737577_100000210198 [0,2,0,0,0,0|2,0,0]=4 10819 B9R0.42 CC(C)C(=O)N[C@H](C)CO 527a_100000737577_100000210198 [0,2,0,0,0,0|2,0,0]=4 10820 B9R0.42 CC(C)C(C)NC(=O)CO 240690a_100000211541_100000210174 [0,2,0,0,0,0|2,0,0]=4 10821 B9R0.42 CC(C)C(C)NC(=O)CO 527a_100000211541_100000210174 [0,2,0,0,0,0|2,0,0]=4 10822 B9R0.42 CC(C)N(C)CC(=O)CF 1458a_100000743827_100015361967 [0,2,0,0,0,0|2,0,0]=4 10823 B9R0.42 CC(CC(=O)CF)N(C)C 1458a_100011311895_100015361967 [0,2,0,0,0,0|2,0,0]=4 10824 B9R0.42 CC(F)C(=O)C[C@@H](C)CO 1458a_100000062450_100000059175 [0,2,0,0,0,0|1,0,0]=3 10825 B9R0.42 CC(F)C(=O)N[C@H](C)CF 11a_100102880703_100000062450 [0,2,0,0,0,0|2,0,0]=4 10826 B9R0.42 CC(F)C(=O)N[C@H](C)CF 1626a_100102880703_100000062450 [0,2,0,0,0,0|2,0,0]=4 10827 B9R0.42 CC(F)C(=O)N[C@H](C)CF 240690a_100102880703_100000062450 [0,2,0,0,0,0|2,0,0]=4 10828 B9R0.42 CC(F)C(=O)N[C@H](C)CF 527a_100102880703_100000062450 [0,2,0,0,0,0|2,0,0]=4 10829 B9R0.42 CC(F)C(=O)N[C@H](C)CO 240690a_100000737577_100000062450 [0,2,0,0,0,0|2,0,0]=4 10830 B9R0.42 CC(F)C(=O)N[C@H](C)CO 527a_100000737577_100000062450 [0,2,0,0,0,0|2,0,0]=4 10831 B9R0.42 CCC(=CC(=O)C(C)C)C 1458a_100020758463_100000210206 [0,2,0,0,0,0|0,0,2]=4 10832 B9R0.42 CCC(=O)CC(=O)C(=O)C 1458a_100000210414_100011261029 [0,2,0,0,0,0|0,0,2]=4 10833 B9R0.42 CCC(=O)CC(=O)C(C)C 1458a_100000210198_100000747405 [0,2,0,0,0,0|0,0,1]=3 10834 B9R0.42 CCC(=O)CC(=O)C(C)C 1458a_100000210414_100000753385 [0,2,0,0,0,0|0,0,1]=3 10835 B9R0.42 CCC(=O)CC(=O)C(C)F 1458a_100000062450_100000747405 [0,2,0,0,0,0|0,0,1]=3 10836 B9R0.42 CCC(=O)CC(=O)C(O)O 1458a_100000233687_100000747405 [0,2,0,0,0,0|1,0,1]=4 10837 B9R0.42 CCC(=O)CC(=O)N(C)C 1458a_100000210414_100000185267 [0,2,0,0,0,0|1,0,1]=4 10838 B9R0.42 CCC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747405 [0,2,0,0,0,0|0,0,1]=3 10839 B9R0.42 CCC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747405 [0,2,0,0,0,0|0,0,1]=3 10840 B9R0.42 CCC(=O)CC(C)N(C)C 1458a_100011311895_100000210202 [0,2,0,0,0,0|1,0,0]=3 10841 B9R0.42 CCC(=O)CN(C)C(=O)C 1458a_100000194957_100000210202 [0,2,0,0,0,0|1,0,1]=4 10842 B9R0.42 CCC(=O)CN(C)C(C)C 1458a_100000743827_100000210202 [0,2,0,0,0,0|1,0,0]=3 10843 B9R0.42 CCC(=O)CN(C)C(C)C 269982a_200000211004_100000747405 [0,2,0,0,0,0|1,0,0]=3 10844 B9R0.42 CCC(=O)NC(C)C(=O)C 1458a_100000194823_200000210301 [0,2,0,0,0,0|1,0,1]=4 10845 B9R0.42 CCC(=O)NC(C)C(=O)[13CH3] 1458a_100000194823_200025704644 [0,2,0,0,0,0|1,0,1]=4 10846 B9R0.42 CCC(=O)NC(C)C(C)C 11a_100000211541_100000210414 [0,2,0,0,0,0|1,0,0]=3 10847 B9R0.42 CCC(=O)NC(C)C(C)C 1626a_100000211541_100000210414 [0,2,0,0,0,0|1,0,0]=3 10848 B9R0.42 CCC(=O)NC(C)C(C)C 240690a_100000211541_100000210414 [0,2,0,0,0,0|1,0,0]=3 10849 B9R0.42 CCC(=O)NC(C)C(C)C 527a_100000211541_100000210414 [0,2,0,0,0,0|1,0,0]=3 10850 B9R0.42 CCC(C)CC(=O)C(C)C 1458a_100000210198_100000748023 [0,2,0,0,0,0|0,0,0]=2 10851 B9R0.42 CCC(C)CC(=O)C(C)C 1458a_100000708755_100000210206 [0,2,0,0,0,0|0,0,0]=2 10852 B9R0.42 CCC(C)CC(=O)C(C)F 1458a_100000062450_100000748023 [0,2,0,0,0,0|0,0,0]=2 10853 B9R0.42 CCC(C)CC(=O)C(O)O 1458a_100000233687_100000748023 [0,2,0,0,0,0|1,0,0]=3 10854 B9R0.42 CCC(C)CC(=O)N(C)C 11a_100102631434_100000708755 [0,2,0,0,0,0|1,0,0]=3 10855 B9R0.42 CCC(C)CC(=O)N(C)C 1626a_100102631434_100000708755 [0,2,0,0,0,0|1,0,0]=3 10856 B9R0.42 CCC(C)CC(=O)N(C)C 240690a_100102631434_100000708755 [0,2,0,0,0,0|1,0,0]=3 10857 B9R0.42 CCC(C)CC(=O)N(C)C 527a_100102631434_100000708755 [0,2,0,0,0,0|1,0,0]=3 10858 B9R0.42 CCC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000748023 [0,2,0,0,0,0|0,0,0]=2 10859 B9R0.42 CCC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000748023 [0,2,0,0,0,0|0,0,0]=2 10860 B9R0.42 CCC(C)CN(C)C(C)C 2230a_100000753921_100000210206 [0,2,0,0,0,0|2,0,0]=4 10861 B9R0.42 CCC(C)CN(C)C(C)C 269982a_100000753921_100000210206 [0,2,0,0,0,0|2,0,0]=4 10862 B9R0.42 CCC(C)CN(C)C(C)C 269982a_200000211004_100000748023 [0,2,0,0,0,0|2,0,0]=4 10863 B9R0.42 CCC(C)CN(C)C(C)C 270004a_200000211004_100000243153 [0,2,0,0,0,0|2,0,0]=4 10864 B9R0.42 CCC(C)NC(=O)C(=O)C 1458a_200011297154_200000210301 [0,2,0,0,0,0|1,0,1]=4 10865 B9R0.42 CCC(C)NC(=O)C(=O)[13CH3] 1458a_200011297154_200025704644 [0,2,0,0,0,0|1,0,1]=4 10866 B9R0.42 CCC(C)NC(=O)C(C)C 11a_100000209981_100000210198 [0,2,0,0,0,0|1,0,0]=3 10867 B9R0.42 CCC(C)NC(=O)C(C)C 1626a_100000209981_100000210198 [0,2,0,0,0,0|1,0,0]=3 10868 B9R0.42 CCC(C)NC(=O)C(C)C 240690a_100000209981_100000210198 [0,2,0,0,0,0|1,0,0]=3 10869 B9R0.42 CCC(C)NC(=O)C(C)C 527a_100000209981_100000210198 [0,2,0,0,0,0|1,0,0]=3 10870 B9R0.42 CCC(C)NC(=O)C(C)F 11a_100000209981_100000062450 [0,2,0,0,0,0|1,0,0]=3 10871 B9R0.42 CCC(C)NC(=O)C(C)F 1626a_100000209981_100000062450 [0,2,0,0,0,0|1,0,0]=3 10872 B9R0.42 CCC(C)NC(=O)C(C)F 240690a_100000209981_100000062450 [0,2,0,0,0,0|1,0,0]=3 10873 B9R0.42 CCC(C)NC(=O)C(C)F 527a_100000209981_100000062450 [0,2,0,0,0,0|1,0,0]=3 10874 B9R0.42 CCC(C)NC(=O)C(F)F 11a_100000209981_100000210393 [0,2,0,0,0,0|2,0,0]=4 10875 B9R0.42 CCC(C)NC(=O)C(F)F 1626a_100000209981_100000210393 [0,2,0,0,0,0|2,0,0]=4 10876 B9R0.42 CCC(C)NC(=O)C(F)F 240690a_100000209981_100000210393 [0,2,0,0,0,0|2,0,0]=4 10877 B9R0.42 CCC(C)NC(=O)C(F)F 527a_100000209981_100000210393 [0,2,0,0,0,0|2,0,0]=4 10878 B9R0.42 CCC(C)NC(=O)C(O)O 240690a_100000209981_100000233687 [0,2,0,0,0,0|2,0,0]=4 10879 B9R0.42 CCC(C)NC(=O)N(C)C 2708a_100000209981_100102631434 [0,2,0,0,0,0|2,0,0]=4 10880 B9R0.42 CCC(C)NC(=O)[C@@H](C)O 240690a_100000209981_100000717761 [0,2,0,0,0,0|1,0,0]=3 10881 B9R0.42 CCC(C)NC(=O)[C@H](C)O 1626a_100000209981_217856618621 [0,2,0,0,0,0|1,0,0]=3 10882 B9R0.42 CCC(C)NC(=O)[C@H](C)O 240690a_100000209981_217856618621 [0,2,0,0,0,0|1,0,0]=3 10883 B9R0.42 CCC(O)CC(=O)C(C)C 1458a_100000210198_100011218378 [0,2,0,0,0,0|0,0,0]=2 10884 B9R0.42 CCC(O)CC(=O)C(C)C 1458a_100011667805_100000210206 [0,2,0,0,0,0|0,0,0]=2 10885 B9R0.42 CCC(O)CC(=O)C(C)F 1458a_100000062450_100011218378 [0,2,0,0,0,0|0,0,0]=2 10886 B9R0.42 CCC(O)CC(=O)C(O)O 1458a_100000233687_100011218378 [0,2,0,0,0,0|1,0,0]=3 10887 B9R0.42 CCC(O)CC(=O)N(C)C 1626a_100102631434_100011667805 [0,2,0,0,0,0|1,0,0]=3 10888 B9R0.42 CCC(O)CC(=O)N(C)C 240690a_100102631434_100011667805 [0,2,0,0,0,0|1,0,0]=3 10889 B9R0.42 CCC(O)CC(=O)[C@@H](C)O 1458a_100000717761_100011218378 [0,2,0,0,0,0|0,0,0]=2 10890 B9R0.42 CCC(O)CC(=O)[C@H](C)O 1458a_217856618621_100011218378 [0,2,0,0,0,0|0,0,0]=2 10891 B9R0.42 CCC(O)CN(C)C(C)C 269982a_200000211004_100011218378 [0,2,0,0,0,0|2,0,0]=4 10892 B9R0.42 CCN(C)CC(=O)C(=O)C 269982a_100000225621_100011261029 [0,2,0,0,0,0|1,0,1]=4 10893 B9R0.42 CCN(C)CC(=O)C(C)C 1458a_100116209913_100000210206 [0,2,0,0,0,0|1,0,0]=3 10894 B9R0.42 CCN(C)CC(=O)C(C)C 2230a_100000225621_100000753385 [0,2,0,0,0,0|1,0,0]=3 10895 B9R0.42 CCN(C)CC(=O)C(C)C 269982a_100000225621_100000753385 [0,2,0,0,0,0|1,0,0]=3 10896 B9R0.42 CCN(C)CC(=O)N(C)C 2230a_100000185065_100000210202 [0,2,0,0,0,0|2,0,0]=4 10897 B9R0.42 CCN(C)CC(=O)N(C)C 2230a_100000225621_100000185267 [0,2,0,0,0,0|2,0,0]=4 10898 B9R0.42 CCN(C)CC(=O)N(C)C 240690a_100102631434_100116209913 [0,2,0,0,0,0|2,0,0]=4 10899 B9R0.42 CCN(C)CC(=O)N(C)C 269982a_100000225621_100000185267 [0,2,0,0,0,0|2,0,0]=4 10900 B9R0.42 CCN(C)CC(=O)N(C)C 527a_100102631434_100116209913 [0,2,0,0,0,0|2,0,0]=4 10901 B9R0.42 CC[C@H](C)CC(=O)C(C)C 1458a_100000210198_100009816398 [0,2,0,0,0,0|0,0,0]=2 10902 B9R0.42 CC[C@H](C)CC(=O)C(C)F 1458a_100000062450_100009816398 [0,2,0,0,0,0|0,0,0]=2 10903 B9R0.42 CC[C@H](C)CC(=O)C(O)O 1458a_100000233687_100009816398 [0,2,0,0,0,0|1,0,0]=3 10904 B9R0.42 CC[C@H](C)CC(=O)[C@@H](C)O 1458a_100000717761_100009816398 [0,2,0,0,0,0|0,0,0]=2 10905 B9R0.42 CC[C@H](C)CC(=O)[C@H](C)O 1458a_217856618621_100009816398 [0,2,0,0,0,0|0,0,0]=2 10906 B9R0.42 CC[C@H](C)CN(C)C(C)C 269982a_200000211004_100009816398 [0,2,0,0,0,0|2,0,0]=4 10907 B9R0.42 CNC(=O)CC(=O)C(C)C 1458a_100000210198_100000183359 [0,2,0,0,0,0|1,0,1]=4 10908 B9R0.42 CNC(=O)CC(=O)C(C)F 1458a_100000062450_100000183359 [0,2,0,0,0,0|1,0,1]=4 10909 B9R0.42 CNC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000183359 [0,2,0,0,0,0|1,0,1]=4 10910 B9R0.42 CNC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000183359 [0,2,0,0,0,0|1,0,1]=4 10911 B9R0.42 CNC(=O)CC(C)N(C)C 1626a_100102657272_100011311895 [0,2,0,0,0,0|2,0,0]=4 10912 B9R0.42 CNC(=O)CC(C)N(C)C 2230a_100015186911_200000210301 [0,2,0,0,0,0|2,0,0]=4 10913 B9R0.42 CNC(=O)CC(C)N(C)C 240690a_100102657272_100011311895 [0,2,0,0,0,0|2,0,0]=4 10914 B9R0.42 CNC(=O)CC(C)N(C)C 269982a_100015186911_200000210301 [0,2,0,0,0,0|2,0,0]=4 10915 B9R0.42 CNC(=O)CC(C)N(C)[13CH3] 2230a_100015186911_200025704644 [0,2,0,0,0,0|2,0,0]=4 10916 B9R0.42 CNC(=O)CC(C)N(C)[13CH3] 269982a_100015186911_200025704644 [0,2,0,0,0,0|2,0,0]=4 10917 B9R0.42 CNC(=O)CN(C)C(C)C 11a_106832991635_100000743827 [0,2,0,0,0,0|2,0,0]=4 10918 B9R0.42 CNC(=O)CN(C)C(C)C 1626a_100102657272_100000743827 [0,2,0,0,0,0|2,0,0]=4 10919 B9R0.42 CNC(=O)CN(C)C(C)C 2230a_100000189611_100000210206 [0,2,0,0,0,0|2,0,0]=4 10920 B9R0.42 CNC(=O)CN(C)C(C)C 240690a_100102657272_100000743827 [0,2,0,0,0,0|2,0,0]=4 10921 B9R0.42 CNC(=O)CN(C)C(C)C 269982a_200000211004_100000183359 [0,2,0,0,0,0|2,0,0]=4 10922 B9R0.42 CNC(=O)CN(C)C(C)C 527a_100102657272_100000743827 [0,2,0,0,0,0|2,0,0]=4 10923 B9R0.42 CNC(=O)NC(C)C(C)C 2708a_100000211541_106832991635 [0,2,0,0,0,0|2,0,0]=4 10924 B9R0.42 CNC(=O)NC(C)C(C)C 2708a_100102657272_100000211541 [0,2,0,0,0,0|2,0,0]=4 10925 B9R0.42 CNC(=O)NC(C)C(C)C 273464a_100000211541_100102657272 [0,2,0,0,0,0|2,0,0]=4 10926 B9R0.42 CNC(=O)NC(C)C(C)C 273464a_100102657272_100000211541 [0,2,0,0,0,0|2,0,0]=4 10927 B9R0.42 CNC(=O)NC(C)C(C)C 512a_100000211541_100102657272 [0,2,0,0,0,0|2,0,0]=4 10928 B9R0.42 CNC(=O)NC(C)C(C)C 512a_106832991638_100000211541 [0,2,0,0,0,0|2,0,0]=4 10929 B9R0.42 COC(=O)CC(=O)C(C)C 1458a_100000210198_100000747449 [0,2,0,0,0,0|1,0,1]=4 10930 B9R0.42 COC(=O)CC(=O)C(C)C 1458a_100000211351_100000210206 [0,2,0,0,0,0|1,0,1]=4 10931 B9R0.42 COC(=O)CC(=O)C(C)F 1458a_100000062450_100000747449 [0,2,0,0,0,0|1,0,1]=4 10932 B9R0.42 COC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747449 [0,2,0,0,0,0|1,0,1]=4 10933 B9R0.42 COC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747449 [0,2,0,0,0,0|1,0,1]=4 10934 B9R0.42 COC(=O)CC(C)C(=O)C 1458a_100000037256_200000210301 [0,2,0,0,0,0|1,0,1]=4 10935 B9R0.42 COC(=O)CC(C)C(=O)[13CH3] 1458a_100000037256_200025704644 [0,2,0,0,0,0|1,0,1]=4 10936 B9R0.42 COC(=O)CC(C)N(C)C 2230a_100102631434_100009817358 [0,2,0,0,0,0|2,0,0]=4 10937 B9R0.42 COC(=O)CC(C)N(C)C 269982a_100102631434_100009817358 [0,2,0,0,0,0|2,0,0]=4 10938 B9R0.42 COC(=O)CN(C)C(C)C 2230a_100000198492_100000210206 [0,2,0,0,0,0|2,0,0]=4 10939 B9R0.42 COC(=O)CN(C)C(C)C 269982a_200000211004_100000747449 [0,2,0,0,0,0|2,0,0]=4 10940 B9R0.42 C[C@@H](CO)CC(=O)C(O)O 1458a_100000233687_100000059175 [0,2,0,0,0,0|2,0,0]=4 10941 B9R0.42 C[C@@H](CO)CC(=O)[C@@H](C)O 1458a_100000717761_100000059175 [0,2,0,0,0,0|1,0,0]=3 10942 B9R0.42 C[C@@H](CO)CC(=O)[C@H](C)O 1458a_217856618621_100000059175 [0,2,0,0,0,0|1,0,0]=3 10943 B9R0.42 C[C@H](CF)NC(=O)[C@@H](C)O 240690a_100102880703_100000717761 [0,2,0,0,0,0|2,0,0]=4 10944 B9R0.42 C[C@H](CF)NC(=O)[C@H](C)O 1626a_100102880703_217856618621 [0,2,0,0,0,0|2,0,0]=4 10945 B9R0.42 C[C@H](CF)NC(=O)[C@H](C)O 240690a_100102880703_217856618621 [0,2,0,0,0,0|2,0,0]=4 10946 B9R0.42 C[C@H](CO)NC(=O)[C@@H](C)O 240690a_100000737577_100000717761 [0,2,0,0,0,0|2,0,0]=4 10947 B9R0.42 C[C@H](CO)NC(=O)[C@H](C)O 240690a_100000737577_217856618621 [0,2,0,0,0,0|2,0,0]=4 10948 B9R0.51 CC(C)S(=O)(=O)CCN[13CH3] 2230a_100000732177_200025704644 [0,2,0,0,0,0|2,0,0]=4 10949 B9R0.51 CC(C)S(=O)(=O)CCN[13CH3] 34a_100000732177_200025704644 [0,2,0,0,0,0|2,0,0]=4 10950 B9R0.51 CCCCS(=O)(=O)N(C)C 270084a_100102631434_100000212082 [0,2,0,0,0,0|2,0,0]=4 10951 B9R0.51 CCCCS(=O)(=O)N(C)C 274078a_100102631434_100000212082 [0,2,0,0,0,0|2,0,0]=4 10952 B9R0.51 CCCCS(=O)(=O)N(C)C 40a_100102631434_100000054263 [0,2,0,0,0,0|2,0,0]=4 10953 B9R0.51 CCCNS(=O)(=O)C(C)C 270084a_100020643023_100000742656 [0,2,0,0,0,0|2,0,0]=4 10954 B9R0.51 CCCNS(=O)(=O)C(C)C 274078a_100020643023_100000742656 [0,2,0,0,0,0|2,0,0]=4 10955 B9R0.51 CNCCS(=O)(=O)C(C)C 2230a_100000732177_200000210301 [0,2,0,0,0,0|2,0,0]=4 10956 B9R0.51 CNCCS(=O)(=O)C(C)C 34a_100000732177_200000210301 [0,2,0,0,0,0|2,0,0]=4 10957 B9R0.21 C#CC(=O)CCC(C)(C)C 1458a_100000211873_100000755188 [0,2,0,0,0,0|0,0,2]=4 10958 B9R0.21 C=CC(=O)CCC(C)(C)C 1458a_100000185746_100000755188 [0,2,0,0,0,0|0,0,2]=4 10959 B9R0.21 CC(C)(C)CCC(=O)CF 1458a_100000757465_100015361967 [0,2,0,0,0,0|1,0,0]=3 10960 B9R0.21 CC(C)(C)CCC(=O)CO 1458a_100000210174_100000755188 [0,2,0,0,0,0|1,0,0]=3 10961 B9R0.21 CC(C)(C)CNC(=O)CO 240690a_100000743828_100000210174 [0,2,0,0,0,0|2,0,0]=4 10962 B9R0.21 CC(C)(C)CNC(=O)CO 527a_100000743828_100000210174 [0,2,0,0,0,0|2,0,0]=4 10963 B9R0.21 CC(C)(C)OCC(=O)CF 1458a_100000686494_100015361967 [0,2,0,0,0,0|2,0,0]=4 10964 B9R0.21 CC(C)(F)CNC(=O)CO 240690a_100020643315_100000210174 [0,2,0,0,0,0|2,0,0]=4 10965 B9R0.21 CC(C)(F)CNC(=O)CO 527a_100020643315_100000210174 [0,2,0,0,0,0|2,0,0]=4 10966 B9R0.21 CC(C)(O)CNC(=O)CO 240690a_100000751335_100000210174 [0,2,0,0,0,0|2,0,0]=4 10967 B9R0.21 CC(C)(O)CNC(=O)CO 527a_100000751335_100000210174 [0,2,0,0,0,0|2,0,0]=4 10968 B9R0.21 CC(F)(F)CCC(=O)CF 1458a_100000030992_100015361967 [0,2,0,0,0,0|1,0,0]=3 10969 B9R0.21 CC(F)(F)CNC(=O)CO 240690a_100000731000_100000210174 [0,2,0,0,0,0|2,0,0]=4 10970 B9R0.21 CC(F)(F)CNC(=O)CO 527a_100000731000_100000210174 [0,2,0,0,0,0|2,0,0]=4 10971 B9R0.21 CCC(=O)C#CC(C)(C)C 1458a_100011966651_100000210202 [0,2,0,0,0,0|0,0,2]=4 10972 B9R0.21 CCC(=O)CCC(C)(C)C 1458a_100000210414_100000755188 [0,2,0,0,0,0|0,0,0]=2 10973 B9R0.21 CCC(=O)CCC(C)(C)C 1458a_100000757465_100000210202 [0,2,0,0,0,0|0,0,0]=2 10974 B9R0.21 CCC(=O)CCC(C)(F)F 1458a_100000030992_100000210202 [0,2,0,0,0,0|0,0,0]=2 10975 B9R0.21 CCC(=O)CCC(F)(F)F 1458a_100000210414_100011219754 [0,2,0,0,0,0|1,0,0]=3 10976 B9R0.21 CCC(=O)CCC(F)(F)F 1458a_100000755318_100000210202 [0,2,0,0,0,0|1,0,0]=3 10977 B9R0.21 CCC(=O)CCS(=O)(=O)C 1458a_100000210414_100000731031 [0,2,0,0,0,0|1,0,0]=3 10978 B9R0.21 CCC(=O)CCS(=O)(=O)C 1458a_100000737124_100000210202 [0,2,0,0,0,0|1,0,0]=3 10979 B9R0.21 CCC(=O)CCS(=O)(=O)N 1458a_100000737202_100000210202 [0,2,0,0,0,0|2,0,0]=4 10980 B9R0.21 CCC(=O)CCS(=O)(=O)[O-] 1458a_100000210414_100000762736 [0,2,0,0,0,0|2,0,0]=4 10981 B9R0.21 CCC(=O)CC[N+](C)(C)C 1458a_100000210414_100000085578 [0,2,0,0,0,0|1,0,0]=3 10982 B9R0.21 CCC(=O)CC[Si](C)(C)C 1458a_100000210414_200000733723 [0,2,0,0,0,0|0,1,0]=3 10983 B9R0.21 CCC(=O)CC[Si](C)(C)C 1458a_100011215282_100000210202 [0,2,0,0,0,0|0,1,0]=3 10984 B9R0.21 CCC(=O)CNS(=O)(=O)C 1458a_100000737300_100000210202 [0,2,0,0,0,0|2,0,0]=4 10985 B9R0.21 CCC(=O)COC(C)(C)C 1458a_100000686494_100000210202 [0,2,0,0,0,0|1,0,0]=3 10986 B9R0.21 CCC(=O)COC(C)(C)C 34a_100000725409_100000210625 [0,2,0,0,0,0|1,0,0]=3 10987 B9R0.21 CCC(=O)COC(C)(C)C 7a_100015890283_100000747405 [0,2,0,0,0,0|1,0,0]=3 10988 B9R0.21 CCC(=O)COC(F)(F)F 34a_100000725409_200103152311 [0,2,0,0,0,0|2,0,0]=4 10989 B9R0.21 CCC(=O)CSC(C)(C)C 62a_100000211941_100000747405 [0,2,0,0,0,0|1,0,0]=3 10990 B9R0.21 CCC(=O)CSC(C)(C)C 62a_100000747405_100000211941 [0,2,0,0,0,0|1,0,0]=3 10991 B9R0.21 CCC(=O)CSC(F)(F)F 62a_100000747405_200103152311 [0,2,0,0,0,0|2,0,0]=4 10992 B9R0.21 CCC(=O)CSC(F)(F)F 62a_200000243211_100000747405 [0,2,0,0,0,0|2,0,0]=4 10993 B9R0.21 CCC(=O)NCC(C)(C)C 11a_100000743828_100000210414 [0,2,0,0,0,0|1,0,0]=3 10994 B9R0.21 CCC(=O)NCC(C)(C)C 1626a_100000743828_100000210414 [0,2,0,0,0,0|1,0,0]=3 10995 B9R0.21 CCC(=O)NCC(C)(C)C 240690a_100000743828_100000210414 [0,2,0,0,0,0|1,0,0]=3 10996 B9R0.21 CCC(=O)NCC(C)(C)C 527a_100000743828_100000210414 [0,2,0,0,0,0|1,0,0]=3 10997 B9R0.21 CCC(=O)NCC(C)(C)F 11a_100020643315_100000210414 [0,2,0,0,0,0|1,0,0]=3 10998 B9R0.21 CCC(=O)NCC(C)(C)F 1626a_100020643315_100000210414 [0,2,0,0,0,0|1,0,0]=3 10999 B9R0.21 CCC(=O)NCC(C)(C)F 240690a_100020643315_100000210414 [0,2,0,0,0,0|1,0,0]=3 11000 B9R0.21 CCC(=O)NCC(C)(C)F 527a_100020643315_100000210414 [0,2,0,0,0,0|1,0,0]=3 11001 B9R0.21 CCC(=O)NCC(C)(C)O 1626a_100000751335_100000210414 [0,2,0,0,0,0|1,0,0]=3 11002 B9R0.21 CCC(=O)NCC(C)(C)O 240690a_100000751335_100000210414 [0,2,0,0,0,0|1,0,0]=3 11003 B9R0.21 CCC(=O)NCC(C)(C)O 527a_100000751335_100000210414 [0,2,0,0,0,0|1,0,0]=3 11004 B9R0.21 CCC(=O)NCC(C)(F)F 11a_100000731000_100000210414 [0,2,0,0,0,0|1,0,0]=3 11005 B9R0.21 CCC(=O)NCC(C)(F)F 1626a_100000731000_100000210414 [0,2,0,0,0,0|1,0,0]=3 11006 B9R0.21 CCC(=O)NCC(C)(F)F 240690a_100000731000_100000210414 [0,2,0,0,0,0|1,0,0]=3 11007 B9R0.21 CCC(=O)NCC(C)(F)F 527a_100000731000_100000210414 [0,2,0,0,0,0|1,0,0]=3 11008 B9R0.21 CCC(=O)NCC(F)(F)F 11a_100000717047_100000210414 [0,2,0,0,0,0|2,0,0]=4 11009 B9R0.21 CCC(=O)NCC(F)(F)F 1626a_100000717047_100000210414 [0,2,0,0,0,0|2,0,0]=4 11010 B9R0.21 CCC(=O)NCC(F)(F)F 240690a_100000717047_100000210414 [0,2,0,0,0,0|2,0,0]=4 11011 B9R0.21 CCC(=O)NCC(F)(F)F 527a_100000717047_100000210414 [0,2,0,0,0,0|2,0,0]=4 11012 B9R0.21 CCC(=O)NC[Si](C)(C)C 11a_102516607284_100000210414 [0,2,0,0,0,0|1,1,0]=4 11013 B9R0.21 CCC(=O)NC[Si](C)(C)C 1626a_102516607284_100000210414 [0,2,0,0,0,0|1,1,0]=4 11014 B9R0.21 CCC(=O)NC[Si](C)(C)C 240690a_102516607284_100000210414 [0,2,0,0,0,0|1,1,0]=4 11015 B9R0.21 CCC(=O)NC[Si](C)(C)C 527a_102516607284_100000210414 [0,2,0,0,0,0|1,1,0]=4 11016 B9R0.21 CCC(=O)NNC(C)(C)C 22a_100000725372_100000210414 [0,2,0,0,0,0|2,0,0]=4 11017 B9R0.21 CCN(C)CCC(C)(C)C 2230a_100000225621_100000755188 [0,2,0,0,0,0|2,0,0]=4 11018 B9R0.21 CCN(C)CCC(C)(C)C 269982a_100000225621_100000755188 [0,2,0,0,0,0|2,0,0]=4 11019 B9R0.21 CCN(C)CCC(C)(C)O 2230a_100000225621_100000702414 [0,2,0,0,0,0|2,0,0]=4 11020 B9R0.21 CNC(=O)CCC(C)(C)C 11a_106832991635_100000757465 [0,2,0,0,0,0|1,0,0]=3 11021 B9R0.21 CNC(=O)CCC(C)(C)C 1626a_100102657272_100000757465 [0,2,0,0,0,0|1,0,0]=3 11022 B9R0.21 CNC(=O)CCC(C)(C)C 240690a_100102657272_100000757465 [0,2,0,0,0,0|1,0,0]=3 11023 B9R0.21 CNC(=O)CCC(C)(C)C 527a_100102657272_100000757465 [0,2,0,0,0,0|1,0,0]=3 11024 B9R0.21 CNC(=O)CCC(C)(F)F 11a_106832991635_100000030992 [0,2,0,0,0,0|1,0,0]=3 11025 B9R0.21 CNC(=O)CCC(C)(F)F 1626a_100102657272_100000030992 [0,2,0,0,0,0|1,0,0]=3 11026 B9R0.21 CNC(=O)CCC(C)(F)F 240690a_100102657272_100000030992 [0,2,0,0,0,0|1,0,0]=3 11027 B9R0.21 CNC(=O)CCC(C)(F)F 527a_100102657272_100000030992 [0,2,0,0,0,0|1,0,0]=3 11028 B9R0.21 CNC(=O)CCC(F)(F)F 11a_106832991635_100000755318 [0,2,0,0,0,0|2,0,0]=4 11029 B9R0.21 CNC(=O)CCC(F)(F)F 1626a_100102657272_100000755318 [0,2,0,0,0,0|2,0,0]=4 11030 B9R0.21 CNC(=O)CCC(F)(F)F 240690a_100102657272_100000755318 [0,2,0,0,0,0|2,0,0]=4 11031 B9R0.21 CNC(=O)CCC(F)(F)F 527a_100102657272_100000755318 [0,2,0,0,0,0|2,0,0]=4 11032 B9R0.21 CNC(=O)CCS(=O)(=O)C 11a_106832991635_100000737124 [0,2,0,0,0,0|2,0,0]=4 11033 B9R0.21 CNC(=O)CCS(=O)(=O)C 1626a_100102657272_100000737124 [0,2,0,0,0,0|2,0,0]=4 11034 B9R0.21 CNC(=O)CCS(=O)(=O)C 240690a_100102657272_100000737124 [0,2,0,0,0,0|2,0,0]=4 11035 B9R0.21 CNC(=O)CCS(=O)(=O)C 527a_100102657272_100000737124 [0,2,0,0,0,0|2,0,0]=4 11036 B9R0.21 CNC(=O)CC[Si](C)(C)C 1626a_100102657272_100011215282 [0,2,0,0,0,0|1,1,0]=4 11037 B9R0.21 CNC(=O)CC[Si](C)(C)C 240690a_100102657272_100011215282 [0,2,0,0,0,0|1,1,0]=4 11038 B9R0.21 CNC(=O)CC[Si](C)(C)C 527a_100102657272_100011215282 [0,2,0,0,0,0|1,1,0]=4 11039 B9R0.21 CNC(=O)CNC(C)(C)C 2230a_100000715429_100000183359 [0,2,0,0,0,0|2,0,0]=4 11040 B9R0.21 CNC(=O)COC(C)(C)C 11a_106832991635_100000686494 [0,2,0,0,0,0|2,0,0]=4 11041 B9R0.21 CNC(=O)COC(C)(C)C 1626a_100102657272_100000686494 [0,2,0,0,0,0|2,0,0]=4 11042 B9R0.21 CNC(=O)COC(C)(C)C 240690a_100102657272_100000686494 [0,2,0,0,0,0|2,0,0]=4 11043 B9R0.21 CNC(=O)COC(C)(C)C 34a_100000750040_100000210625 [0,2,0,0,0,0|2,0,0]=4 11044 B9R0.21 CNC(=O)COC(C)(C)C 34a_100015890283_100000183359 [0,2,0,0,0,0|2,0,0]=4 11045 B9R0.21 CNC(=O)COC(C)(C)C 527a_100102657272_100000686494 [0,2,0,0,0,0|2,0,0]=4 11046 B9R0.21 CNC(=O)COC(C)(C)C 7a_100015890283_100000183359 [0,2,0,0,0,0|2,0,0]=4 11047 B9R0.21 CNC(=O)CSC(C)(C)C 62a_100000183359_100000211941 [0,2,0,0,0,0|2,0,0]=4 11048 B9R0.21 CNC(=O)CSC(C)(C)C 62a_100000211941_100000183359 [0,2,0,0,0,0|2,0,0]=4 11049 B9R0.21 CNC(=O)NCC(C)(C)C 2708a_100000743828_106832991635 [0,2,0,0,0,0|2,0,0]=4 11050 B9R0.21 CNC(=O)NCC(C)(C)C 2708a_100102657272_100000743828 [0,2,0,0,0,0|2,0,0]=4 11051 B9R0.21 CNC(=O)NCC(C)(C)C 273464a_100000743828_100102657272 [0,2,0,0,0,0|2,0,0]=4 11052 B9R0.21 CNC(=O)NCC(C)(C)C 273464a_100102657272_100000743828 [0,2,0,0,0,0|2,0,0]=4 11053 B9R0.21 CNC(=O)NCC(C)(C)C 512a_100000743828_100102657272 [0,2,0,0,0,0|2,0,0]=4 11054 B9R0.21 CNC(=O)NCC(C)(C)C 512a_106832991638_100000743828 [0,2,0,0,0,0|2,0,0]=4 11055 B9R0.21 CNC(=O)NCC(C)(C)F 2708a_100020643315_106832991635 [0,2,0,0,0,0|2,0,0]=4 11056 B9R0.21 CNC(=O)NCC(C)(C)F 2708a_100102657272_100020643315 [0,2,0,0,0,0|2,0,0]=4 11057 B9R0.21 CNC(=O)NCC(C)(C)F 273464a_100020643315_100102657272 [0,2,0,0,0,0|2,0,0]=4 11058 B9R0.21 CNC(=O)NCC(C)(C)F 273464a_100102657272_100020643315 [0,2,0,0,0,0|2,0,0]=4 11059 B9R0.21 CNC(=O)NCC(C)(C)F 512a_100020643315_100102657272 [0,2,0,0,0,0|2,0,0]=4 11060 B9R0.21 CNC(=O)NCC(C)(C)F 512a_106832991638_100020643315 [0,2,0,0,0,0|2,0,0]=4 11061 B9R0.21 CNC(=O)NCC(C)(C)O 2708a_100102657272_100000751335 [0,2,0,0,0,0|2,0,0]=4 11062 B9R0.21 CNC(=O)NCC(C)(C)O 273464a_100102657272_100000751335 [0,2,0,0,0,0|2,0,0]=4 11063 B9R0.21 CNC(=O)NCC(C)(C)O 512a_100000751335_100102657272 [0,2,0,0,0,0|2,0,0]=4 11064 B9R0.21 CNC(=O)NCC(C)(C)O 512a_106832991638_100000751335 [0,2,0,0,0,0|2,0,0]=4 11065 B9R0.21 CNC(=O)NCC(C)(F)F 2708a_100102657272_100000731000 [0,2,0,0,0,0|2,0,0]=4 11066 B9R0.21 CNC(=O)NCC(C)(F)F 273464a_100000731000_100102657272 [0,2,0,0,0,0|2,0,0]=4 11067 B9R0.21 CNC(=O)NCC(C)(F)F 273464a_100102657272_100000731000 [0,2,0,0,0,0|2,0,0]=4 11068 B9R0.21 CNC(=O)NCC(C)(F)F 512a_100000731000_100102657272 [0,2,0,0,0,0|2,0,0]=4 11069 B9R0.21 CNC(=O)NCC(C)(F)F 512a_106832991638_100000731000 [0,2,0,0,0,0|2,0,0]=4 11070 B9R0.21 COC(=O)CNC(C)(C)C 2230a_100000715429_100000747449 [0,2,0,0,0,0|2,0,0]=4 11071 B9R0.21 COC(=O)COC(C)(C)C 34a_100015890283_100000747449 [0,2,0,0,0,0|2,0,0]=4 11072 B9R0.21 COC(=O)COC(C)(C)C 7a_100015890283_100000747449 [0,2,0,0,0,0|2,0,0]=4 11073 B9R0.21 COC(=O)CSC(C)(C)C 62a_100000211941_100000747449 [0,2,0,0,0,0|2,0,0]=4 11074 B9R0.21 COC(=O)CSC(C)(C)C 62a_100000747449_100000211941 [0,2,0,0,0,0|2,0,0]=4 11075 B9R0.21 CS(=O)(=O)CCC(=O)CF 1458a_100000737124_100015361967 [0,2,0,0,0,0|2,0,0]=4 11076 B9R0.21 CS(=O)(=O)CCC(=O)CO 1458a_100000210174_100000731031 [0,2,0,0,0,0|2,0,0]=4 11077 B9R0.21 C[N+](C)(C)CCC(=O)CO 1458a_100000210174_100000085578 [0,2,0,0,0,0|2,0,0]=4 11078 B9R0.21 C[Si](C)(C)CCC(=O)CF 1458a_100011215282_100015361967 [0,2,0,0,0,0|1,1,0]=4 11079 B9R0.21 C[Si](C)(C)CCC(=O)CO 1458a_100000210174_200000733723 [0,2,0,0,0,0|1,1,0]=4 11080 B9R0.21 O=C(CF)CCC(F)(F)F 1458a_100000755318_100015361967 [0,2,0,0,0,0|2,0,0]=4 11081 B9R0.21 O=C(CO)CCC(F)(F)F 1458a_100000210174_100011219754 [0,2,0,0,0,0|2,0,0]=4 11082 B9R0.43 CCC(CCC(C)C)OC 34a_100011216567_200000210301 [0,2,0,0,0,0|0,0,2]=4 11083 B9R0.43 CCC(CCC(C)C)OC 7a_100011216567_200000210301 [0,2,0,0,0,0|0,0,2]=4 11084 B9R0.43 CCC(CCC(C)C)O[13CH3] 34a_100011216567_200025704644 [0,2,0,0,0,0|0,0,2]=4 11085 B9R0.43 CCC(CCC(C)C)O[13CH3] 7a_100011216567_200025704644 [0,2,0,0,0,0|0,0,2]=4 11086 B9R0.43 CCN(CC)CCC(C)C 2230a_100000207693_100000210202 [0,2,0,0,0,0|2,0,0]=4 11087 B9R0.43 CCN(CC)CCC(C)C 2230a_100000724800_100000210312 [0,2,0,0,0,0|2,0,0]=4 11088 B9R0.43 CCN(CC)CCC(C)C 269956a_100000042499_100000210312 [0,2,0,0,0,0|2,0,0]=4 11089 B9R0.43 CCN(CC)CCC(C)C 269982a_100000207693_100000204670 [0,2,0,0,0,0|2,0,0]=4 11090 B9R0.43 CCN(CC)CCC(C)C 269982a_100000724800_100000210312 [0,2,0,0,0,0|2,0,0]=4 11091 B9R0.43 CCN(CC)CCC(C)O 2230a_100000724800_100012276601 [0,2,0,0,0,0|2,0,0]=4 11092 B9R0.43 CCN(CC)CCC(C)O 269956a_100000042499_100012276601 [0,2,0,0,0,0|2,0,0]=4 11093 B9R0.43 CCN(CC)CCC(C)O 269982a_100000724800_100012276601 [0,2,0,0,0,0|2,0,0]=4 11094 B9R0.43 CCN(CF)CCC(C)C 269982a_100000207693_100015361967 [0,2,0,0,0,0|2,0,0]=4 11095 B9R0.64 CCS(=O)(=O)CCC(=O)C 1458a_100000070787_100000756660 [0,2,0,0,0,0|1,0,1]=4 11096 B9R0.64 CCS(=O)(=O)CCN(C)C 2230a_100000694288_200000210301 [0,2,0,0,0,0|2,0,0]=4 11097 B9R0.64 CCS(=O)(=O)CCN(C)C 2230a_100102631434_100000756660 [0,2,0,0,0,0|2,0,0]=4 11098 B9R0.64 CCS(=O)(=O)CCN(C)C 269982a_100000694288_200000210301 [0,2,0,0,0,0|2,0,0]=4 11099 B9R0.64 CCS(=O)(=O)CCN(C)C 269982a_100102631434_100000756660 [0,2,0,0,0,0|2,0,0]=4 11100 B9R0.64 CCS(=O)(=O)CCN(C)C 34a_100000694288_200000210301 [0,2,0,0,0,0|2,0,0]=4 11101 B9R0.64 CCS(=O)(=O)CCN(C)[13CH3] 2230a_100000694288_200025704644 [0,2,0,0,0,0|2,0,0]=4 11102 B9R0.64 CCS(=O)(=O)CCN(C)[13CH3] 269982a_100000694288_200025704644 [0,2,0,0,0,0|2,0,0]=4 11103 B9R0.64 CCS(=O)(=O)CCN(C)[13CH3] 34a_100000694288_200025704644 [0,2,0,0,0,0|2,0,0]=4 11104 B9R0.64 CCS(=O)(=O)NCC(C)C 270084a_100000210953_100000211323 [0,2,0,0,0,0|2,0,0]=4 11105 B9R0.64 CCS(=O)(=O)NCC(C)C 274078a_100000210953_100000211323 [0,2,0,0,0,0|2,0,0]=4 11106 B9R0.64 CCS(=O)(=O)NCC(C)C 40a_100000210953_100000053943 [0,2,0,0,0,0|2,0,0]=4 11107 B9R0.64 CCS(=O)(=O)NCC(C)O 270084a_100000210904_100000211323 [0,2,0,0,0,0|2,0,0]=4 11108 B9R0.64 CCS(=O)(=O)NCC(C)O 274078a_100000210904_100000211323 [0,2,0,0,0,0|2,0,0]=4 11109 B9R0.64 CCS(=O)(=O)NCC(C)O 40a_100000210904_100000053943 [0,2,0,0,0,0|2,0,0]=4 11110 B9R0.64 CNS(=O)(=O)CCC(C)C 270084a_100102657272_100000750698 [0,2,0,0,0,0|2,0,0]=4 11111 B9R0.64 CNS(=O)(=O)CCC(C)C 274078a_100102657272_100000750698 [0,2,0,0,0,0|2,0,0]=4 11112 B9R0.26 C#CC(=O)CC(CC)CC 1458a_100000211873_100011215472 [0,2,0,0,0,0|0,0,2]=4 11113 B9R0.26 C=CC(=O)CC(CC)CC 1458a_100000185746_100011215472 [0,2,0,0,0,0|0,0,2]=4 11114 B9R0.26 C=C[C@@H](CO)NC(=O)CC 240690a_100016989147_100000210414 [0,2,0,0,0,0|2,0,0]=4 11115 B9R0.26 C=C[C@@H](CO)NC(=O)CC 527a_100016989147_100000210414 [0,2,0,0,0,0|2,0,0]=4 11116 B9R0.26 CCC(=O)CC(CC)CC 1458a_100000210414_100011215472 [0,2,0,0,0,0|0,0,0]=2 11117 B9R0.26 CCC(=O)CC(OC)OC 1458a_100000082724_100000210202 [0,2,0,0,0,0|1,0,0]=3 11118 B9R0.26 CCC(=O)CC(OC)OC 1458a_100000210414_100000751394 [0,2,0,0,0,0|1,0,0]=3 11119 B9R0.26 CCC(=O)CN(CC)CC 1458a_100000758533_100000210202 [0,2,0,0,0,0|1,0,0]=3 11120 B9R0.26 CCC(=O)CN(CC)CC 269956a_100000042499_100000747405 [0,2,0,0,0,0|1,0,0]=3 11121 B9R0.26 CCC(=O)CN(CC)CC 269982a_100000724800_100000747405 [0,2,0,0,0,0|1,0,0]=3 11122 B9R0.26 CCC(=O)NC(CC)CC 11a_100000199018_100000210414 [0,2,0,0,0,0|1,0,0]=3 11123 B9R0.26 CCC(=O)NC(CC)CC 1626a_100000199018_100000210414 [0,2,0,0,0,0|1,0,0]=3 11124 B9R0.26 CCC(=O)NC(CC)CC 240690a_100000199018_100000210414 [0,2,0,0,0,0|1,0,0]=3 11125 B9R0.26 CCC(=O)NC(CC)CC 527a_100000199018_100000210414 [0,2,0,0,0,0|1,0,0]=3 11126 B9R0.26 CCC(=O)NC(CO)CO 240690a_100000759517_100000210414 [0,2,0,0,0,0|2,0,0]=4 11127 B9R0.26 CCC(=O)NC(CO)CO 527a_100000759517_100000210414 [0,2,0,0,0,0|2,0,0]=4 11128 B9R0.26 CCC(=O)N[C@@H](CC)CO 240690a_100000709445_100000210414 [0,2,0,0,0,0|1,0,0]=3 11129 B9R0.26 CCC(=O)N[C@@H](CC)CO 527a_100000709445_100000210414 [0,2,0,0,0,0|1,0,0]=3 11130 B9R0.26 CCC(C)CC(CC)NC 270004a_106832991635_100000184709 [0,2,0,0,0,0|1,0,1]=4 11131 B9R0.26 CCC(C)CC(CC)OC 7a_200011216566_200000210301 [0,2,0,0,0,0|0,0,2]=4 11132 B9R0.26 CCC(C)CC(CC)O[13CH3] 7a_200011216566_200025704644 [0,2,0,0,0,0|0,0,2]=4 11133 B9R0.26 CCC(C)CN(CC)CC 2230a_100000724800_100000748023 [0,2,0,0,0,0|2,0,0]=4 11134 B9R0.26 CCC(C)CN(CC)CC 269956a_100000042499_100000748023 [0,2,0,0,0,0|2,0,0]=4 11135 B9R0.26 CCC(C)CN(CC)CC 269982a_100000724800_100000748023 [0,2,0,0,0,0|2,0,0]=4 11136 B9R0.26 CCC(C)CN(CC)CC 270004a_100000724800_100000243153 [0,2,0,0,0,0|2,0,0]=4 11137 B9R0.26 CCC(CC)CC(=O)CO 1458a_100000210174_100011215472 [0,2,0,0,0,0|1,0,0]=3 11138 B9R0.26 CCC(CC)CN(C)CC 2230a_100000225621_100011215472 [0,2,0,0,0,0|2,0,0]=4 11139 B9R0.26 CCC(CC)CN(C)CC 269982a_100000225621_100011215472 [0,2,0,0,0,0|2,0,0]=4 11140 B9R0.26 CCC(CC)NC(=O)CO 240690a_100000199018_100000210174 [0,2,0,0,0,0|2,0,0]=4 11141 B9R0.26 CCC(CC)NC(=O)CO 527a_100000199018_100000210174 [0,2,0,0,0,0|2,0,0]=4 11142 B9R0.26 CCC(CC)NC(=O)NC 2708a_100000199018_106832991635 [0,2,0,0,0,0|2,0,0]=4 11143 B9R0.26 CCC(CC)NC(=O)NC 2708a_100102657272_100000199018 [0,2,0,0,0,0|2,0,0]=4 11144 B9R0.26 CCC(CC)NC(=O)NC 273464a_100000199018_100102657272 [0,2,0,0,0,0|2,0,0]=4 11145 B9R0.26 CCC(CC)NC(=O)NC 273464a_100102657272_100000199018 [0,2,0,0,0,0|2,0,0]=4 11146 B9R0.26 CCC(CC)NC(=O)NC 512a_100000199018_100102657272 [0,2,0,0,0,0|2,0,0]=4 11147 B9R0.26 CCC(CC)NC(=O)NC 512a_106832991638_100000199018 [0,2,0,0,0,0|2,0,0]=4 11148 B9R0.26 CCC(O)CN(CC)CC 2230a_100000724800_100011218378 [0,2,0,0,0,0|2,0,0]=4 11149 B9R0.26 CCC(O)CN(CC)CC 2230a_100011365200_100000210202 [0,2,0,0,0,0|2,0,0]=4 11150 B9R0.26 CCC(O)CN(CC)CC 269956a_100000042499_100011218378 [0,2,0,0,0,0|2,0,0]=4 11151 B9R0.26 CCC(O)CN(CC)CC 269982a_100000724800_100011218378 [0,2,0,0,0,0|2,0,0]=4 11152 B9R0.26 CCC(O)CN(CC)CC 269982a_100011365200_100000204670 [0,2,0,0,0,0|2,0,0]=4 11153 B9R0.26 CCC(O)CN(CC)CF 269982a_100011365200_100015361967 [0,2,0,0,0,0|2,0,0]=4 11154 B9R0.26 CCN(CC)CC(=O)CF 1458a_100000758533_100015361967 [0,2,0,0,0,0|2,0,0]=4 11155 B9R0.26 CCN(CC)CC(=O)NC 11a_106832991635_100000758533 [0,2,0,0,0,0|2,0,0]=4 11156 B9R0.26 CCN(CC)CC(=O)NC 1626a_100102657272_100000758533 [0,2,0,0,0,0|2,0,0]=4 11157 B9R0.26 CCN(CC)CC(=O)NC 2230a_100000724800_100000183359 [0,2,0,0,0,0|2,0,0]=4 11158 B9R0.26 CCN(CC)CC(=O)NC 240690a_100102657272_100000758533 [0,2,0,0,0,0|2,0,0]=4 11159 B9R0.26 CCN(CC)CC(=O)NC 269956a_100000042499_100000183359 [0,2,0,0,0,0|2,0,0]=4 11160 B9R0.26 CCN(CC)CC(=O)NC 269982a_100000724800_100000183359 [0,2,0,0,0,0|2,0,0]=4 11161 B9R0.26 CCN(CC)CC(=O)NC 527a_100102657272_100000758533 [0,2,0,0,0,0|2,0,0]=4 11162 B9R0.26 CCN(CC)CC(=O)OC 2230a_100000724800_100000747449 [0,2,0,0,0,0|2,0,0]=4 11163 B9R0.26 CCN(CC)CC(=O)OC 269956a_100000042499_100000747449 [0,2,0,0,0,0|2,0,0]=4 11164 B9R0.26 CCN(CC)CC(=O)OC 269982a_100000724800_100000747449 [0,2,0,0,0,0|2,0,0]=4 11165 B9R0.26 CC[C@@H](CC(=O)OC)OC 7a_200015357724_200000210301 [0,2,0,0,0,0|1,0,0]=3 11166 B9R0.26 CC[C@@H](CC(=O)OC)O[13CH3] 7a_200015357724_200025704644 [0,2,0,0,0,0|1,0,0]=3 11167 B9R0.26 CC[C@@H](CO)NC(=O)CO 240690a_100000709445_100000210174 [0,2,0,0,0,0|2,0,0]=4 11168 B9R0.26 CC[C@@H](CO)NC(=O)CO 527a_100000709445_100000210174 [0,2,0,0,0,0|2,0,0]=4 11169 B9R0.26 CC[C@@H](CO)NC(=O)NC 2708a_100102657272_100000709445 [0,2,0,0,0,0|2,0,0]=4 11170 B9R0.26 CC[C@@H](CO)NC(=O)NC 273464a_100000709445_100102657272 [0,2,0,0,0,0|2,0,0]=4 11171 B9R0.26 CC[C@@H](CO)NC(=O)NC 273464a_100102657272_100000709445 [0,2,0,0,0,0|2,0,0]=4 11172 B9R0.26 CC[C@@H](CO)NC(=O)NC 512a_100000709445_100102657272 [0,2,0,0,0,0|2,0,0]=4 11173 B9R0.26 CC[C@@H](CO)NC(=O)NC 512a_106832991638_100000709445 [0,2,0,0,0,0|2,0,0]=4 11174 B9R0.26 CC[C@H](C)CN(CC)CC 2230a_100000724800_100009816398 [0,2,0,0,0,0|2,0,0]=4 11175 B9R0.26 CC[C@H](C)CN(CC)CC 269956a_100000042499_100009816398 [0,2,0,0,0,0|2,0,0]=4 11176 B9R0.26 CC[C@H](C)CN(CC)CC 269982a_100000724800_100009816398 [0,2,0,0,0,0|2,0,0]=4 11177 B9R0.26 CNC(=O)CC(OC)OC 11a_106832991635_100000082724 [0,2,0,0,0,0|2,0,0]=4 11178 B9R0.26 CNC(=O)CC(OC)OC 1626a_100102657272_100000082724 [0,2,0,0,0,0|2,0,0]=4 11179 B9R0.26 CNC(=O)CC(OC)OC 240690a_100102657272_100000082724 [0,2,0,0,0,0|2,0,0]=4 11180 B9R0.26 CNC(=O)CC(OC)OC 527a_100102657272_100000082724 [0,2,0,0,0,0|2,0,0]=4 11181 B9R0.26 COC(=O)C[C@H](CCl)OC 7a_100000754131_200000210301 [0,2,0,0,0,0|2,0,0]=4 11182 B9R0.26 COC(=O)C[C@H](CCl)O[13CH3] 7a_100000754131_200025704644 [0,2,0,0,0,0|2,0,0]=4 11183 B9R0.26 COC(CC(=O)CF)OC 1458a_100000082724_100015361967 [0,2,0,0,0,0|2,0,0]=4 11184 B9R0.26 COC(CC(=O)CO)OC 1458a_100000210174_100000751394 [0,2,0,0,0,0|2,0,0]=4 11185 B9R0.67 CCCCC(C)(CC)OC 7a_200011218725_200000210301 [0,2,0,0,0,0|0,0,2]=4 11186 B9R0.67 CCCCC(C)(CC)O[13CH3] 7a_200011218725_200025704644 [0,2,0,0,0,0|0,0,2]=4 11187 B9R0.22 CCC(=O)CC(C)(C)CC 1458a_200000763500_100000210202 [0,2,0,0,0,0|0,0,0]=2 11188 B9R0.22 CCC(=O)CC(C)(O)CC 1458a_200011219800_100000210202 [0,2,0,0,0,0|0,0,0]=2 11189 B9R0.22 CCC(=O)CS(=O)(=O)CC 1458a_100000744335_100000210202 [0,2,0,0,0,0|1,0,0]=3 11190 B9R0.22 CCC(=O)NC(C)(C)CC 11a_100000211385_100000210414 [0,2,0,0,0,0|1,0,0]=3 11191 B9R0.22 CCC(=O)NC(C)(C)CC 1626a_100000211385_100000210414 [0,2,0,0,0,0|1,0,0]=3 11192 B9R0.22 CCC(=O)NC(C)(C)CC 240690a_100000211385_100000210414 [0,2,0,0,0,0|1,0,0]=3 11193 B9R0.22 CCC(=O)NC(C)(C)CC 527a_100000211385_100000210414 [0,2,0,0,0,0|1,0,0]=3 11194 B9R0.22 CCC(=O)NC(C)(C)CO 240690a_100000210608_100000210414 [0,2,0,0,0,0|2,0,0]=4 11195 B9R0.22 CCC(=O)NC(C)(C)CO 527a_100020618417_100000210414 [0,2,0,0,0,0|2,0,0]=4 11196 B9R0.22 CCC(=O)NS(=O)(=O)CC 2740a_100000171174_100000210414 [0,2,0,0,0,0|2,0,0]=4 11197 B9R0.22 CCC(C)(C)CC(=O)CF 1458a_200000763500_100015361967 [0,2,0,0,0,0|1,0,0]=3 11198 B9R0.22 CCC(C)(C)CC(=O)NC 11a_106832991635_200000763500 [0,2,0,0,0,0|1,0,0]=3 11199 B9R0.22 CCC(C)(C)CC(=O)NC 1626a_100102657272_200000763500 [0,2,0,0,0,0|1,0,0]=3 11200 B9R0.22 CCC(C)(C)CC(=O)NC 240690a_100102657272_200000763500 [0,2,0,0,0,0|1,0,0]=3 11201 B9R0.22 CCC(C)(C)CC(=O)NC 527a_100102657272_200000763500 [0,2,0,0,0,0|1,0,0]=3 11202 B9R0.22 CCC(C)(C)NC(=O)CO 240690a_100000211385_100000210174 [0,2,0,0,0,0|2,0,0]=4 11203 B9R0.22 CCC(C)(C)NC(=O)CO 527a_100000211385_100000210174 [0,2,0,0,0,0|2,0,0]=4 11204 B9R0.22 CCC(C)(C)NC(=O)NC 2708a_100102657272_100000211385 [0,2,0,0,0,0|2,0,0]=4 11205 B9R0.22 CCC(C)(C)NC(=O)NC 273464a_100000211385_100102657272 [0,2,0,0,0,0|2,0,0]=4 11206 B9R0.22 CCC(C)(C)NC(=O)NC 273464a_100102657272_100000211385 [0,2,0,0,0,0|2,0,0]=4 11207 B9R0.22 CCC(C)(C)NC(=O)NC 512a_100000211385_100102657272 [0,2,0,0,0,0|2,0,0]=4 11208 B9R0.22 CCC(C)(C)NC(=O)NC 512a_106832991638_100000211385 [0,2,0,0,0,0|2,0,0]=4 11209 B9R0.22 CCC(C)(O)CC(=O)CF 1458a_200011219800_100015361967 [0,2,0,0,0,0|1,0,0]=3 11210 B9R0.22 CCC(C)(O)CC(=O)NC 240690a_100102657272_200011219800 [0,2,0,0,0,0|1,0,0]=3 11211 B9R0.22 CCC(C)(O)CC(=O)NC 527a_100102657272_200011219800 [0,2,0,0,0,0|1,0,0]=3 11212 B9R0.22 CCC(C)NS(=O)(=O)CC 270084a_100000209981_100000211323 [0,2,0,0,0,0|2,0,0]=4 11213 B9R0.22 CCC(C)NS(=O)(=O)CC 274078a_100000209981_100000211323 [0,2,0,0,0,0|2,0,0]=4 11214 B9R0.22 CCC(C)NS(=O)(=O)CC 40a_100000209981_100000053943 [0,2,0,0,0,0|2,0,0]=4 11215 B9R0.22 CCS(=O)(=O)CC(=O)CF 1458a_100000744335_100015361967 [0,2,0,0,0,0|2,0,0]=4 11216 B9R0.22 CCS(=O)(=O)CC(=O)NC 11a_106832991635_100000744335 [0,2,0,0,0,0|2,0,0]=4 11217 B9R0.22 CCS(=O)(=O)CC(=O)NC 1626a_100102657272_100000744335 [0,2,0,0,0,0|2,0,0]=4 11218 B9R0.22 CCS(=O)(=O)CC(=O)NC 240690a_100102657272_100000744335 [0,2,0,0,0,0|2,0,0]=4 11219 B9R0.22 CCS(=O)(=O)CC(=O)NC 527a_100102657272_100000744335 [0,2,0,0,0,0|2,0,0]=4 11220 B9R0.22 COC(=O)CC(C)(C)OC 7a_100015205050_200000210301 [0,2,0,0,0,0|2,0,0]=4 11221 B9R0.22 COC(=O)CC(C)(C)O[13CH3] 7a_100015205050_200025704644 [0,2,0,0,0,0|2,0,0]=4 11222 B7R1.1 CCN1CCCC1 2230a_100000188435_100000210202 [1,0,0,1,0,0|2,0,0]=4 11223 B7R1.1 CCN1CCCC1 269982a_100000188435_100000204670 [1,0,0,1,0,0|2,0,0]=4 11224 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [1,0,0,1,0,0|2,0,0]=4 11225 B7R1.2 C[C@@H]1CCN(C1)C 2230a_100016987628_200000210301 [1,0,0,1,0,0|2,0,0]=4 11226 B7R1.2 C[C@@H]1CCN(C1)C 269982a_100016987628_200000210301 [1,0,0,1,0,0|2,0,0]=4 11227 B7R1.2 C[C@@H]1CCN(C1)C 34a_100016987628_200000210301 [1,0,0,1,0,0|2,0,0]=4 11228 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 2230a_100016987628_200025704644 [1,0,0,1,0,0|2,0,0]=4 11229 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 269982a_100016987628_200025704644 [1,0,0,1,0,0|2,0,0]=4 11230 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 34a_100016987628_200025704644 [1,0,0,1,0,0|2,0,0]=4 11231 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [1,0,0,1,0,0|2,0,0]=4 11232 B7R1.4 C[C@@H]1CCCN1C 2230a_100015189458_200000210301 [1,0,0,1,0,0|2,0,0]=4 11233 B7R1.4 C[C@@H]1CCCN1C 269982a_100015189458_200000210301 [1,0,0,1,0,0|2,0,0]=4 11234 B7R1.4 C[C@@H]1CCCN1C 34a_100015189458_200000210301 [1,0,0,1,0,0|2,0,0]=4 11235 B7R1.4 C[C@@H]1CCCN1[13CH3] 2230a_100015189458_200025704644 [1,0,0,1,0,0|2,0,0]=4 11236 B7R1.4 C[C@@H]1CCCN1[13CH3] 269982a_100015189458_200025704644 [1,0,0,1,0,0|2,0,0]=4 11237 B7R1.4 C[C@@H]1CCCN1[13CH3] 34a_100015189458_200025704644 [1,0,0,1,0,0|2,0,0]=4 11238 B7R1.4 C[C@H]1CCCN1C 2230a_100020605311_200000210301 [1,0,0,1,0,0|2,0,0]=4 11239 B7R1.4 C[C@H]1CCCN1C 269982a_100020605311_200000210301 [1,0,0,1,0,0|2,0,0]=4 11240 B7R1.4 C[C@H]1CCCN1[13CH3] 2230a_100020605311_200025704644 [1,0,0,1,0,0|2,0,0]=4 11241 B7R1.4 C[C@H]1CCCN1[13CH3] 269982a_100020605311_200025704644 [1,0,0,1,0,0|2,0,0]=4 11242 B7R1.6 CCCN1CCC1 269982a_100000754969_100000210303 [1,0,0,1,0,0|2,0,0]=4 11243 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [1,0,0,1,0,0|1,0,0]=3 11244 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [1,0,0,1,0,0|1,0,0]=3 11245 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [1,0,0,1,0,0|1,0,0]=3 11246 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [1,0,0,1,0,0|1,0,0]=3 11247 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [1,0,0,1,0,0|1,0,0]=3 11248 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [1,0,0,1,0,0|1,0,0]=3 11249 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [1,0,0,1,0,0|1,0,0]=3 11250 B7R1.10 CCN1CC(C1)C 2230a_100000702820_100000210202 [1,0,0,1,0,0|2,0,0]=4 11251 B7R1.10 CCN1CC(C1)C 269982a_100000702820_100000204670 [1,0,0,1,0,0|2,0,0]=4 11252 B7R1.10 CCN1CC(C1)C 34a_100000702820_100000210202 [1,0,0,1,0,0|2,0,0]=4 11253 B7R1.22 CCC(=O)C1CC1 1458a_100000210395_100000210202 [1,0,0,1,0,0|0,0,0]=2 11254 B7R1.22 CCC(=O)C1CO1 1458a_100000701028_100000210202 [1,0,0,1,0,0|1,0,0]=3 11255 B7R1.22 CCN(C)C1CC1 2230a_100000226674_100000210202 [1,0,0,1,0,0|2,0,0]=4 11256 B7R1.22 CCN(C)C1CC1 2230a_100000738653_200000210301 [1,0,0,1,0,0|2,0,0]=4 11257 B7R1.22 CCN(C)C1CC1 269982a_100000225621_100000211595 [1,0,0,1,0,0|2,0,0]=4 11258 B7R1.22 CCN(C)C1CC1 269982a_100000226674_100000204670 [1,0,0,1,0,0|2,0,0]=4 11259 B7R1.22 CCN(C)C1CC1 269982a_100000738653_200000210301 [1,0,0,1,0,0|2,0,0]=4 11260 B7R1.22 CCN([13CH3])C1CC1 2230a_100000738653_200025704644 [1,0,0,1,0,0|2,0,0]=4 11261 B7R1.22 CCN([13CH3])C1CC1 269982a_100000738653_200025704644 [1,0,0,1,0,0|2,0,0]=4 11262 B7R1.22 CNC(=O)C1CC1 11a_106832991635_100000210395 [1,0,0,1,0,0|1,0,0]=3 11263 B7R1.22 CNC(=O)C1CC1 1626a_100102657272_100000210395 [1,0,0,1,0,0|1,0,0]=3 11264 B7R1.22 CNC(=O)C1CC1 240690a_100102657272_100000210395 [1,0,0,1,0,0|1,0,0]=3 11265 B7R1.22 CNC(=O)C1CC1 527a_100102657272_100000210395 [1,0,0,1,0,0|1,0,0]=3 11266 B7R1.22 CNC(=O)C1CO1 11a_106832991635_100000701028 [1,0,0,1,0,0|2,0,0]=4 11267 B7R1.22 CNC(=O)C1CO1 1626a_100102657272_100000701028 [1,0,0,1,0,0|2,0,0]=4 11268 B7R1.22 CNC(=O)C1CO1 240690a_100102657272_100000701028 [1,0,0,1,0,0|2,0,0]=4 11269 B7R1.22 CNC(=O)C1CO1 527a_100102657272_100000701028 [1,0,0,1,0,0|2,0,0]=4 11270 B7R1.22 O=C(CF)C1CC1 1458a_100000210395_100015361967 [1,0,0,1,0,0|1,0,0]=3 11271 B7R1.22 O=C(CF)C1CO1 1458a_100000701028_100015361967 [1,0,0,1,0,0|2,0,0]=4 11272 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [1,0,0,1,0,0|0,0,0]=2 11273 B7R1.12 CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200000210301 [1,0,0,1,0,0|1,0,0]=3 11274 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [1,0,0,1,0,0|0,0,0]=2 11275 B7R1.12 [13CH3]C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200025704644 [1,0,0,1,0,0|1,0,0]=3 11276 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [1,0,0,1,0,0|0,0,0]=2 11277 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [1,0,0,1,0,0|0,0,0]=2 11278 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [1,0,0,1,0,0|1,0,0]=3 11279 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [1,0,0,1,0,0|1,0,0]=3 11280 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [1,0,0,1,0,0|1,0,0]=3 11281 B7R1.18 CC(=O)N1CCC1 11a_100000754969_100015343762 [1,0,0,1,0,0|1,0,0]=3 11282 B7R1.18 CC(=O)N1CCC1 240690a_100000754969_100015343762 [1,0,0,1,0,0|1,0,0]=3 11283 B7R1.18 CC(=O)N1CCC1 527a_100000754969_100103153847 [1,0,0,1,0,0|1,0,0]=3 11284 B7R1.18 CN(C)C1CCC1 2230a_100000758072_200000210301 [1,0,0,1,0,0|2,0,0]=4 11285 B7R1.18 CN(C)C1CCC1 269982a_100000758072_200000210301 [1,0,0,1,0,0|2,0,0]=4 11286 B7R1.18 CN(C)C1CCC1 269982a_100102631434_100000749161 [1,0,0,1,0,0|2,0,0]=4 11287 B7R1.18 CN(C)C1CCC1 270004a_100102631434_100000241760 [1,0,0,1,0,0|2,0,0]=4 11288 B7R1.18 CN(C)C1CCC1 34a_100000758072_200000210301 [1,0,0,1,0,0|2,0,0]=4 11289 B7R1.18 CN([13CH3])C1CCC1 2230a_100000758072_200025704644 [1,0,0,1,0,0|2,0,0]=4 11290 B7R1.18 CN([13CH3])C1CCC1 269982a_100000758072_200025704644 [1,0,0,1,0,0|2,0,0]=4 11291 B7R1.18 CN([13CH3])C1CCC1 34a_100000758072_200025704644 [1,0,0,1,0,0|2,0,0]=4 11292 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [1,0,0,1,0,0|0,0,0]=2 11293 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [1,0,0,1,0,0|1,0,0]=3 11294 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [1,0,0,1,0,0|1,0,0]=3 11295 B7R1.20 CC(=O)CC1CC1 1458a_100000070787_100000742324 [1,0,0,1,0,0|0,0,0]=2 11296 B7R1.20 CC(=O)CC1CC1 1458a_100000738066_200000210301 [1,0,0,1,0,0|0,0,0]=2 11297 B7R1.20 CC(=O)CC1CO1 1458a_100000070787_100011216344 [1,0,0,1,0,0|1,0,0]=3 11298 B7R1.20 CC(=O)CC1CS1 1458a_100000070787_100000031435 [1,0,0,1,0,0|1,0,0]=3 11299 B7R1.20 CC(=O)C[C@@H]1CO1 1458a_100000070787_100000745022 [1,0,0,1,0,0|1,0,0]=3 11300 B7R1.20 CC(=O)NC1CC1 1626a_100000212008_100015343762 [1,0,0,1,0,0|1,0,0]=3 11301 B7R1.20 CC(=O)NC1CC1 240690a_100000212008_100015343762 [1,0,0,1,0,0|1,0,0]=3 11302 B7R1.20 CC(=O)NC1CC1 527a_100000212008_100103153847 [1,0,0,1,0,0|1,0,0]=3 11303 B7R1.20 CN(C)CC1CC1 2230a_100000741881_200000210301 [1,0,0,1,0,0|2,0,0]=4 11304 B7R1.20 CN(C)CC1CC1 2230a_100102631434_100000742324 [1,0,0,1,0,0|2,0,0]=4 11305 B7R1.20 CN(C)CC1CC1 269982a_100000741881_200000210301 [1,0,0,1,0,0|2,0,0]=4 11306 B7R1.20 CN(C)CC1CC1 269982a_100102631434_100000756562 [1,0,0,1,0,0|2,0,0]=4 11307 B7R1.20 CN([13CH3])CC1CC1 2230a_100000741881_200025704644 [1,0,0,1,0,0|2,0,0]=4 11308 B7R1.20 CN([13CH3])CC1CC1 269982a_100000741881_200025704644 [1,0,0,1,0,0|2,0,0]=4 11309 B7R1.20 [13CH3]C(=O)CC1CC1 1458a_100000738066_200025704644 [1,0,0,1,0,0|0,0,0]=2 11310 B9R1.2 CCC1CN(CCO1)C 2230a_100000736320_200000210301 [0,1,0,1,0,0|2,0,0]=4 11311 B9R1.2 CCC1CN(CCO1)C 269982a_100000736320_200000210301 [0,1,0,1,0,0|2,0,0]=4 11312 B9R1.2 CCC1CN(CCO1)C 34a_100000736320_200000210301 [0,1,0,1,0,0|2,0,0]=4 11313 B9R1.2 CCC1CN(CCO1)[13CH3] 2230a_100000736320_200025704644 [0,1,0,1,0,0|2,0,0]=4 11314 B9R1.2 CCC1CN(CCO1)[13CH3] 269982a_100000736320_200025704644 [0,1,0,1,0,0|2,0,0]=4 11315 B9R1.2 CCC1CN(CCO1)[13CH3] 34a_100000736320_200025704644 [0,1,0,1,0,0|2,0,0]=4 11316 B9R1.2 CCN1CCC=C(C1)C 2230a_100000725631_100000210202 [0,1,0,1,0,0|2,0,0]=4 11317 B9R1.2 CCN1CCC=C(C1)C 269982a_100000725631_100000204670 [0,1,0,1,0,0|2,0,0]=4 11318 B9R1.2 CCN1CCC=C(C1)C 34a_100000725631_100000210202 [0,1,0,1,0,0|2,0,0]=4 11319 B9R1.2 CCN1CCCC(C1)F 2230a_100000697950_100000210202 [0,1,0,1,0,0|2,0,0]=4 11320 B9R1.2 CCN1CCCC(C1)F 269982a_100000697950_100000204670 [0,1,0,1,0,0|2,0,0]=4 11321 B9R1.2 CCN1CCCC(C1)F 34a_100000697950_100000210202 [0,1,0,1,0,0|2,0,0]=4 11322 B9R1.2 CCN1CCCC(C1)O 2230a_100000211013_100000210202 [0,1,0,1,0,0|2,0,0]=4 11323 B9R1.2 CCN1CCCC(C1)O 269982a_100000211013_100000204670 [0,1,0,1,0,0|2,0,0]=4 11324 B9R1.2 CCN1CCC[C@@H](C1)C 2230a_100000717927_100000210202 [0,1,0,1,0,0|2,0,0]=4 11325 B9R1.2 CCN1CCC[C@@H](C1)C 269982a_100000717927_100000204670 [0,1,0,1,0,0|2,0,0]=4 11326 B9R1.2 CCN1CCC[C@@H](C1)C 34a_100000717927_100000210202 [0,1,0,1,0,0|2,0,0]=4 11327 B9R1.2 CCN1CCNC(=O)C1 2230a_100000184651_100000210202 [0,1,0,1,0,0|1,0,0]=3 11328 B9R1.2 CCN1CCOC(=O)C1 2230a_100000131268_100000210202 [0,1,0,1,0,0|1,0,0]=3 11329 B9R1.2 CCN1CCOC(C1)C 2230a_100000729577_100000210202 [0,1,0,1,0,0|2,0,0]=4 11330 B9R1.2 CCN1CCOC(C1)C 269982a_100000729577_100000204670 [0,1,0,1,0,0|2,0,0]=4 11331 B9R1.2 CCN1CCOC(C1)C 34a_100000729577_100000210202 [0,1,0,1,0,0|2,0,0]=4 11332 B9R1.2 CNC1CCNC(=O)C1 2230a_100016994916_200000210301 [0,1,0,1,0,0|1,0,0]=3 11333 B9R1.2 CNC1CCNC(=O)C1 34a_100016994916_200000210301 [0,1,0,1,0,0|1,0,0]=3 11334 B9R1.2 COC1CCCC(=O)C1 34a_100012613340_200000210301 [0,1,0,1,0,0|1,0,0]=3 11335 B9R1.2 CO[C@@H]1CCNC(=O)C1 34a_100015189427_200000210301 [0,1,0,1,0,0|1,0,0]=3 11336 B9R1.2 [13CH3]NC1CCNC(=O)C1 2230a_100016994916_200025704644 [0,1,0,1,0,0|1,0,0]=3 11337 B9R1.2 [13CH3]NC1CCNC(=O)C1 34a_100016994916_200025704644 [0,1,0,1,0,0|1,0,0]=3 11338 B9R1.2 [13CH3]OC1CCCC(=O)C1 34a_100012613340_200025704644 [0,1,0,1,0,0|1,0,0]=3 11339 B9R1.2 [13CH3]O[C@@H]1CCNC(=O)C1 34a_100015189427_200025704644 [0,1,0,1,0,0|1,0,0]=3 11340 B9R1.7 CCCN1CCC(C1)O 2230a_100011215560_100000210303 [0,1,0,1,0,0|0,0,2]=4 11341 B9R1.7 CCCN1CCC(C1)O 269982a_100011215560_100000210303 [0,1,0,1,0,0|0,0,2]=4 11342 B9R1.7 CCCN1CC[C@@H](C1)F 2230a_100015203821_100000210303 [0,1,0,1,0,0|1,0,1]=4 11343 B9R1.7 CCCN1CC[C@@H](C1)F 269982a_100015203821_100000210303 [0,1,0,1,0,0|1,0,1]=4 11344 B9R1.7 CCCN1CC[C@@H](C1)F 34a_100015203821_100000210303 [0,1,0,1,0,0|1,0,1]=4 11345 B9R1.7 CCCN1CC[C@H](C1)C 2230a_100016987628_100000210303 [0,1,0,1,0,0|1,0,1]=4 11346 B9R1.7 CCCN1CC[C@H](C1)C 269982a_100016987628_100000210303 [0,1,0,1,0,0|1,0,1]=4 11347 B9R1.7 CCCN1CC[C@H](C1)C 34a_100016987628_100000210303 [0,1,0,1,0,0|1,0,1]=4 11348 B9R1.7 CCCN1CNC(=O)C1 2230a_200000708111_100000210303 [0,1,0,1,0,0|1,0,0]=3 11349 B9R1.7 CCNC1CCC(C1)C 270004a_100015525214_100011215218 [0,1,0,1,0,0|1,0,1]=4 11350 B9R1.7 CCNC1CCC(C1)O 270004a_100015525214_100012614533 [0,1,0,1,0,0|0,0,2]=4 11351 B9R1.7 CCNC1CNC(=O)C1 2230a_100000697751_100000210202 [0,1,0,1,0,0|1,0,0]=3 11352 B9R1.7 CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210202 [0,1,0,1,0,0|0,0,2]=4 11353 B9R1.7 CCOC1CCC(=O)C1 34a_100012614533_100000210202 [0,1,0,1,0,0|0,0,0]=2 11354 B9R1.7 CCOC1CCC(C1)C 34a_100000698185_100000210202 [0,1,0,1,0,0|1,0,1]=4 11355 B9R1.7 CCOC1CNC(=O)C1 34a_100000690082_100000210202 [0,1,0,1,0,0|1,0,0]=3 11356 B9R1.7 CCOC1COC(=O)O1 34a_100121572206_100000032252 [0,1,0,1,0,0|2,0,0]=4 11357 B9R1.7 CCO[C@H]1CCN(C1)C 2230a_100011787710_200000210301 [0,1,0,1,0,0|2,0,0]=4 11358 B9R1.7 CCO[C@H]1CCN(C1)C 269982a_100011787710_200000210301 [0,1,0,1,0,0|2,0,0]=4 11359 B9R1.7 CCO[C@H]1CCN(C1)C 34a_100011787710_200000210301 [0,1,0,1,0,0|2,0,0]=4 11360 B9R1.7 CCO[C@H]1CCN(C1)[13CH3] 2230a_100011787710_200025704644 [0,1,0,1,0,0|2,0,0]=4 11361 B9R1.7 CCO[C@H]1CCN(C1)[13CH3] 269982a_100011787710_200025704644 [0,1,0,1,0,0|2,0,0]=4 11362 B9R1.7 CCO[C@H]1CCN(C1)[13CH3] 34a_100011787710_200025704644 [0,1,0,1,0,0|2,0,0]=4 11363 B9R1.7 CCSC1CCN(C1)C 62a_100000210202_200012183744 [0,1,0,1,0,0|2,0,0]=4 11364 B9R1.7 CCSC1COC(=O)O1 62a_100000210202_100000032252 [0,1,0,1,0,0|2,0,0]=4 11365 B9R1.7 CN1CCC(C1)CCO 2230a_100016987287_200000210301 [0,1,0,1,0,0|2,0,0]=4 11366 B9R1.7 CN1CCC(C1)CCO 269982a_100016987287_200000210301 [0,1,0,1,0,0|2,0,0]=4 11367 B9R1.7 CN1CCC(C1)CCO 34a_100016987287_200000210301 [0,1,0,1,0,0|2,0,0]=4 11368 B9R1.7 CN1CCC(C1)CS[13CH3] 62a_200000690779_200025704644 [0,1,0,1,0,0|2,0,0]=4 11369 B9R1.7 CN1CCC(C1)CS[13CH3] 62a_200025704644_200000690779 [0,1,0,1,0,0|2,0,0]=4 11370 B9R1.7 CNCC1CCN(C1)C 34a_100102657272_200000690779 [0,1,0,1,0,0|2,0,0]=4 11371 B9R1.7 CNCC1CCN(C1)C 7a_106832991635_200000690779 [0,1,0,1,0,0|2,0,0]=4 11372 B9R1.7 CNCC1CNC(=O)C1 2230a_100016993742_200000210301 [0,1,0,1,0,0|1,0,0]=3 11373 B9R1.7 CNCC1CNC(=O)C1 34a_100016993742_200000210301 [0,1,0,1,0,0|1,0,0]=3 11374 B9R1.7 CNCC1CNC(=O)O1 2230a_106832991635_100000181169 [0,1,0,1,0,0|2,0,0]=4 11375 B9R1.7 CNCC1CNC(=O)O1 34a_100102657272_100000181169 [0,1,0,1,0,0|2,0,0]=4 11376 B9R1.7 CNCC1CNC(=O)O1 7a_106832991635_100000181169 [0,1,0,1,0,0|2,0,0]=4 11377 B9R1.7 CNCC1COC(=O)O1 34a_100102657272_100000073702 [0,1,0,1,0,0|2,0,0]=4 11378 B9R1.7 CNC[C@@H]1CCC(=O)N1 2230a_106832991635_100015189358 [0,1,0,1,0,0|1,0,0]=3 11379 B9R1.7 CNC[C@@H]1CCC(=O)N1 7a_106832991635_100015189358 [0,1,0,1,0,0|1,0,0]=3 11380 B9R1.7 CNC[C@H]1CCC(=O)N1 2230a_100015423886_200000210301 [0,1,0,1,0,0|1,0,0]=3 11381 B9R1.7 CNC[C@H]1CCC(=O)N1 34a_100015423886_200000210301 [0,1,0,1,0,0|1,0,0]=3 11382 B9R1.7 CNC[C@H]1COC(=O)N1 2230a_106832991635_100015307671 [0,1,0,1,0,0|2,0,0]=4 11383 B9R1.7 CNC[C@H]1COC(=O)N1 34a_100102657272_100015307671 [0,1,0,1,0,0|2,0,0]=4 11384 B9R1.7 CNC[C@H]1COC(=O)N1 7a_106832991635_100015307671 [0,1,0,1,0,0|2,0,0]=4 11385 B9R1.7 COCC1CCC(=O)N1 34a_100000737831_200000210301 [0,1,0,1,0,0|1,0,0]=3 11386 B9R1.7 COCC1CCN(C1)C 2230a_100025706693_200000210301 [0,1,0,1,0,0|2,0,0]=4 11387 B9R1.7 COCC1CCN(C1)C 269982a_100025706693_200000210301 [0,1,0,1,0,0|2,0,0]=4 11388 B9R1.7 COCC1CCN(C1)C 34a_100025706693_200000210301 [0,1,0,1,0,0|2,0,0]=4 11389 B9R1.7 COCC1CCN(C1)C 34a_100138415774_200000690779 [0,1,0,1,0,0|2,0,0]=4 11390 B9R1.7 COCC1CCN(C1)[13CH3] 2230a_100025706693_200025704644 [0,1,0,1,0,0|2,0,0]=4 11391 B9R1.7 COCC1CCN(C1)[13CH3] 269982a_100025706693_200025704644 [0,1,0,1,0,0|2,0,0]=4 11392 B9R1.7 COCC1CCN(C1)[13CH3] 34a_100025706693_200025704644 [0,1,0,1,0,0|2,0,0]=4 11393 B9R1.7 COCC1CNC(=O)C1 34a_100016041077_200000210301 [0,1,0,1,0,0|1,0,0]=3 11394 B9R1.7 COCC1CNC(=O)O1 34a_100011315639_200000210301 [0,1,0,1,0,0|2,0,0]=4 11395 B9R1.7 COCC1CNC(=O)O1 34a_100138415774_100000181169 [0,1,0,1,0,0|2,0,0]=4 11396 B9R1.7 COCC1COC(=O)O1 34a_100138415774_100000073702 [0,1,0,1,0,0|2,0,0]=4 11397 B9R1.7 COCN1CC[C@H](C1)C 2230a_100016987628_100000766300 [0,1,0,1,0,0|2,0,0]=4 11398 B9R1.7 COCN1CC[C@H](C1)C 269982a_100016987628_100000766300 [0,1,0,1,0,0|2,0,0]=4 11399 B9R1.7 COCN1CNC(=O)C1 2230a_200000708111_100000766300 [0,1,0,1,0,0|2,0,0]=4 11400 B9R1.7 COC[C@H]1COC(=O)N1 34a_100138415774_100015307671 [0,1,0,1,0,0|2,0,0]=4 11401 B9R1.7 CSCC1CCN(C1)C 62a_200000210301_200000690779 [0,1,0,1,0,0|2,0,0]=4 11402 B9R1.7 CSCC1CCN(C1)C 62a_200000690779_200000210301 [0,1,0,1,0,0|2,0,0]=4 11403 B9R1.7 CSCC1CNC(=O)O1 62a_100000181169_200000210301 [0,1,0,1,0,0|2,0,0]=4 11404 B9R1.7 CSCC1CNC(=O)O1 62a_200000210301_100000181169 [0,1,0,1,0,0|2,0,0]=4 11405 B9R1.7 CSCC1COC(=O)O1 62a_100000073702_200000210301 [0,1,0,1,0,0|2,0,0]=4 11406 B9R1.7 CSCC1COC(=O)O1 62a_200000210301_100000073702 [0,1,0,1,0,0|2,0,0]=4 11407 B9R1.7 CSCN1CC[C@H](C1)C 2230a_100016987628_100011218213 [0,1,0,1,0,0|2,0,0]=4 11408 B9R1.7 CSCN1CC[C@H](C1)C 269982a_100016987628_100011218213 [0,1,0,1,0,0|2,0,0]=4 11409 B9R1.7 CSCN1CC[C@H](C1)C 34a_100016987628_100011218213 [0,1,0,1,0,0|2,0,0]=4 11410 B9R1.7 CSCN1CNC(=O)C1 2230a_200000708111_100011218213 [0,1,0,1,0,0|2,0,0]=4 11411 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_100015189358_200000210301 [0,1,0,1,0,0|1,0,0]=3 11412 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_200000210301_100015189358 [0,1,0,1,0,0|1,0,0]=3 11413 B9R1.7 CSC[C@H]1COC(=O)N1 62a_100015307671_200000210301 [0,1,0,1,0,0|2,0,0]=4 11414 B9R1.7 CSC[C@H]1COC(=O)N1 62a_200000210301_100015307671 [0,1,0,1,0,0|2,0,0]=4 11415 B9R1.7 C[C@@H]1CCN(C1)CCF 2230a_100016987628_100011217306 [0,1,0,1,0,0|2,0,0]=4 11416 B9R1.7 C[C@@H]1CCN(C1)CCF 269982a_100016987628_100011217306 [0,1,0,1,0,0|2,0,0]=4 11417 B9R1.7 C[C@@H]1CCN(C1)CCF 34a_100016987628_100011217306 [0,1,0,1,0,0|2,0,0]=4 11418 B9R1.7 C[C@@H]1CCN(C1)CCO 2230a_100016987628_100000211926 [0,1,0,1,0,0|2,0,0]=4 11419 B9R1.7 C[C@@H]1CCN(C1)CCO 269982a_100016987628_100000211926 [0,1,0,1,0,0|2,0,0]=4 11420 B9R1.7 C[C@@H]1CCN(C1)CCO 34a_100016987628_100000211926 [0,1,0,1,0,0|2,0,0]=4 11421 B9R1.7 O=C1CC(CN1)OCF 34a_100000690082_100015361967 [0,1,0,1,0,0|2,0,0]=4 11422 B9R1.7 O=C1CCC(C1)OCF 34a_100012614533_100015361967 [0,1,0,1,0,0|1,0,0]=3 11423 B9R1.7 O=C1CN(CN1)CCF 2230a_200000708111_100011217306 [0,1,0,1,0,0|2,0,0]=4 11424 B9R1.7 O=C1CN(CN1)CCO 2230a_200000708111_100000211926 [0,1,0,1,0,0|2,0,0]=4 11425 B9R1.7 [13CH3]N1CCC(C1)CCO 2230a_100016987287_200025704644 [0,1,0,1,0,0|2,0,0]=4 11426 B9R1.7 [13CH3]N1CCC(C1)CCO 269982a_100016987287_200025704644 [0,1,0,1,0,0|2,0,0]=4 11427 B9R1.7 [13CH3]N1CCC(C1)CCO 34a_100016987287_200025704644 [0,1,0,1,0,0|2,0,0]=4 11428 B9R1.7 [13CH3]NCC1CNC(=O)C1 2230a_100016993742_200025704644 [0,1,0,1,0,0|1,0,0]=3 11429 B9R1.7 [13CH3]NCC1CNC(=O)C1 34a_100016993742_200025704644 [0,1,0,1,0,0|1,0,0]=3 11430 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 2230a_100015423886_200025704644 [0,1,0,1,0,0|1,0,0]=3 11431 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 34a_100015423886_200025704644 [0,1,0,1,0,0|1,0,0]=3 11432 B9R1.7 [13CH3]OCC1CCC(=O)N1 34a_100000737831_200025704644 [0,1,0,1,0,0|1,0,0]=3 11433 B9R1.7 [13CH3]OCC1CNC(=O)C1 34a_100016041077_200025704644 [0,1,0,1,0,0|1,0,0]=3 11434 B9R1.7 [13CH3]OCC1CNC(=O)O1 34a_100011315639_200025704644 [0,1,0,1,0,0|2,0,0]=4 11435 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_100000181169_200025704644 [0,1,0,1,0,0|2,0,0]=4 11436 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_200025704644_100000181169 [0,1,0,1,0,0|2,0,0]=4 11437 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_100000073702_200025704644 [0,1,0,1,0,0|2,0,0]=4 11438 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_200025704644_100000073702 [0,1,0,1,0,0|2,0,0]=4 11439 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_100015189358_200025704644 [0,1,0,1,0,0|1,0,0]=3 11440 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_200025704644_100015189358 [0,1,0,1,0,0|1,0,0]=3 11441 B9R1.7 [13CH3]SC[C@H]1COC(=O)N1 62a_100015307671_200025704644 [0,1,0,1,0,0|2,0,0]=4 11442 B9R1.7 [13CH3]SC[C@H]1COC(=O)N1 62a_200025704644_100015307671 [0,1,0,1,0,0|2,0,0]=4 11443 B9R1.8 CCNC1CCCCC1 2230a_100000182618_100000210202 [0,1,0,1,0,0|1,0,1]=4 11444 B9R1.8 CCNC1CCCCC1 270004a_100015525214_100000210434 [0,1,0,1,0,0|1,0,1]=4 11445 B9R1.8 CCNC1CCCCC1 34a_100000182618_100000210202 [0,1,0,1,0,0|1,0,1]=4 11446 B9R1.8 CCOC1CCCCC1 34a_100000210231_100000210202 [0,1,0,1,0,0|1,0,1]=4 11447 B9R1.8 CCOC1CCCCC1 34a_100121572206_100000210327 [0,1,0,1,0,0|1,0,1]=4 11448 B9R1.8 CCOC1CCCCC1 7a_100000210231_100000210202 [0,1,0,1,0,0|1,0,1]=4 11449 B9R1.8 CCOC1CCCCO1 34a_100000033831_100000210202 [0,1,0,1,0,0|0,0,2]=4 11450 B9R1.8 CCSC1CCCCC1 62a_100000210202_100000210327 [0,1,0,1,0,0|1,0,1]=4 11451 B9R1.8 CCSC1CCCCC1 62a_100000210327_100000210202 [0,1,0,1,0,0|1,0,1]=4 11452 B9R1.8 CNCC1=CCCSC1 270004a_106832991635_100000707794 [0,1,0,1,0,0|2,0,0]=4 11453 B9R1.8 CNCC1CCCCC1 2230a_100000210473_200000210301 [0,1,0,1,0,0|1,0,1]=4 11454 B9R1.8 CNCC1CCCCC1 2230a_106832991635_100000211423 [0,1,0,1,0,0|1,0,1]=4 11455 B9R1.8 CNCC1CCCCC1 269862a_106832991636_100000211278 [0,1,0,1,0,0|1,0,1]=4 11456 B9R1.8 CNCC1CCCCC1 34a_100000210473_200000210301 [0,1,0,1,0,0|1,0,1]=4 11457 B9R1.8 CNCC1CCCCC1 34a_100102657272_100000211423 [0,1,0,1,0,0|1,0,1]=4 11458 B9R1.8 CNCC1CCCCC1 7a_106832991635_100000211423 [0,1,0,1,0,0|1,0,1]=4 11459 B9R1.8 CNCC1CCCCO1 2230a_100000174945_200000210301 [0,1,0,1,0,0|0,0,2]=4 11460 B9R1.8 CNCC1CCCCO1 2230a_106832991635_100000211543 [0,1,0,1,0,0|0,0,2]=4 11461 B9R1.8 CNCC1CCCCO1 34a_100000174945_200000210301 [0,1,0,1,0,0|0,0,2]=4 11462 B9R1.8 CNCC1CCCCO1 34a_100102657272_100000211543 [0,1,0,1,0,0|0,0,2]=4 11463 B9R1.8 CNCC1CCCCO1 7a_106832991635_100000211543 [0,1,0,1,0,0|0,0,2]=4 11464 B9R1.8 COCC1CCCCC1 34a_100000212181_200000210301 [0,1,0,1,0,0|1,0,1]=4 11465 B9R1.8 COCC1CCCCC1 34a_100138415774_100000211423 [0,1,0,1,0,0|1,0,1]=4 11466 B9R1.8 COCC1CCCCC1 7a_100000212181_200000210301 [0,1,0,1,0,0|1,0,1]=4 11467 B9R1.8 COCC1CCCCN1 34a_100000210821_200000210301 [0,1,0,1,0,0|1,0,1]=4 11468 B9R1.8 COCC1CCCCO1 34a_100000211370_200000210301 [0,1,0,1,0,0|0,0,2]=4 11469 B9R1.8 COCC1CCCCO1 34a_100138415774_100000211543 [0,1,0,1,0,0|0,0,2]=4 11470 B9R1.8 COCC1CCCCO1 7a_100000211370_200000210301 [0,1,0,1,0,0|0,0,2]=4 11471 B9R1.8 CSCC1CCCCC1 62a_100000211423_200000210301 [0,1,0,1,0,0|1,0,1]=4 11472 B9R1.8 CSCC1CCCCC1 62a_200000210301_100000211423 [0,1,0,1,0,0|1,0,1]=4 11473 B9R1.8 CSCC1CCCCO1 62a_100000211543_200000210301 [0,1,0,1,0,0|0,0,2]=4 11474 B9R1.8 CSCC1CCCCO1 62a_200000210301_100000211543 [0,1,0,1,0,0|0,0,2]=4 11475 B9R1.8 [13CH3]NCC1CCCCC1 2230a_100000210473_200025704644 [0,1,0,1,0,0|1,0,1]=4 11476 B9R1.8 [13CH3]NCC1CCCCC1 34a_100000210473_200025704644 [0,1,0,1,0,0|1,0,1]=4 11477 B9R1.8 [13CH3]NCC1CCCCO1 2230a_100000174945_200025704644 [0,1,0,1,0,0|0,0,2]=4 11478 B9R1.8 [13CH3]NCC1CCCCO1 34a_100000174945_200025704644 [0,1,0,1,0,0|0,0,2]=4 11479 B9R1.8 [13CH3]OCC1CCCCC1 34a_100000212181_200025704644 [0,1,0,1,0,0|1,0,1]=4 11480 B9R1.8 [13CH3]OCC1CCCCC1 7a_100000212181_200025704644 [0,1,0,1,0,0|1,0,1]=4 11481 B9R1.8 [13CH3]OCC1CCCCN1 34a_100000210821_200025704644 [0,1,0,1,0,0|1,0,1]=4 11482 B9R1.8 [13CH3]OCC1CCCCO1 34a_100000211370_200025704644 [0,1,0,1,0,0|0,0,2]=4 11483 B9R1.8 [13CH3]OCC1CCCCO1 7a_100000211370_200025704644 [0,1,0,1,0,0|0,0,2]=4 11484 B9R1.8 [13CH3]SCC1CCCCC1 62a_100000211423_200025704644 [0,1,0,1,0,0|1,0,1]=4 11485 B9R1.8 [13CH3]SCC1CCCCC1 62a_200025704644_100000211423 [0,1,0,1,0,0|1,0,1]=4 11486 B9R1.8 [13CH3]SCC1CCCCO1 62a_100000211543_200025704644 [0,1,0,1,0,0|0,0,2]=4 11487 B9R1.8 [13CH3]SCC1CCCCO1 62a_200025704644_100000211543 [0,1,0,1,0,0|0,0,2]=4 11488 B9R1.9 CCCCN1CC(C1)C 2230a_100000702820_100000210211 [0,1,0,1,0,0|2,0,0]=4 11489 B9R1.9 CCCCN1CC(C1)C 269982a_100000702820_100000210211 [0,1,0,1,0,0|2,0,0]=4 11490 B9R1.9 CCCCN1CC(C1)C 34a_100000702820_100000210210 [0,1,0,1,0,0|2,0,0]=4 11491 B9R1.9 CCCCN1CC(C1)F 2230a_100000690557_100000210211 [0,1,0,1,0,0|2,0,0]=4 11492 B9R1.9 CCCCN1CC(C1)F 269982a_100000690557_100000210211 [0,1,0,1,0,0|2,0,0]=4 11493 B9R1.9 CCCCN1CC(C1)F 34a_100000690557_100000210210 [0,1,0,1,0,0|2,0,0]=4 11494 B9R1.9 CCCCN1CC(C1)O 269982a_100000749847_100000210211 [0,1,0,1,0,0|2,0,0]=4 11495 B9R1.12 CCCCN1CCCC1 2230a_100000188435_100000210211 [0,1,0,1,0,0|2,0,0]=4 11496 B9R1.12 CCCCN1CCCC1 269982a_100000188435_100000210211 [0,1,0,1,0,0|2,0,0]=4 11497 B9R1.12 CCCCN1CCSC1 2230a_100011215254_100000210211 [0,1,0,1,0,0|1,1,0]=4 11498 B9R1.12 CCCCN1CCSC1 269982a_100011215254_100000210211 [0,1,0,1,0,0|1,1,0]=4 11499 B9R1.12 CCOCC1=NCCN1 34a_100121572206_100000737910 [0,1,0,1,0,0|2,0,0]=4 11500 B9R1.12 CCSCC1=NCCN1 62a_100000210202_100000737910 [0,1,0,1,0,0|2,0,0]=4 11501 B9R1.12 CCSCC1=NCCN1 62a_100000737910_100000210202 [0,1,0,1,0,0|2,0,0]=4 11502 B9R1.15 CC1CCCCC1N[13CH3] 2230a_100000211402_200025704644 [0,1,0,1,0,0|1,0,1]=4 11503 B9R1.15 CC1CCCCC1N[13CH3] 34a_100000211402_200025704644 [0,1,0,1,0,0|1,0,1]=4 11504 B9R1.15 CC1CCCCC1O[13CH3] 34a_100000211207_200025704644 [0,1,0,1,0,0|0,0,2]=4 11505 B9R1.15 CC1CCCCC1O[13CH3] 7a_100000211207_200025704644 [0,1,0,1,0,0|0,0,2]=4 11506 B9R1.15 CC1CCCCN1CF 269982a_100000211376_100015361967 [0,1,0,1,0,0|2,0,0]=4 11507 B9R1.15 CC1CCCCN1CF 34a_100000211376_100015361967 [0,1,0,1,0,0|2,0,0]=4 11508 B9R1.15 CCC1CCCCN1C 2230a_100000210034_200000210301 [0,1,0,1,0,0|1,0,1]=4 11509 B9R1.15 CCC1CCCCN1C 269982a_100000210034_200000210301 [0,1,0,1,0,0|1,0,1]=4 11510 B9R1.15 CCC1CCCCN1C 34a_100000210034_200000210301 [0,1,0,1,0,0|1,0,1]=4 11511 B9R1.15 CCC1CCCCN1[13CH3] 2230a_100000210034_200025704644 [0,1,0,1,0,0|1,0,1]=4 11512 B9R1.15 CCC1CCCCN1[13CH3] 269982a_100000210034_200025704644 [0,1,0,1,0,0|1,0,1]=4 11513 B9R1.15 CCC1CCCCN1[13CH3] 34a_100000210034_200025704644 [0,1,0,1,0,0|1,0,1]=4 11514 B9R1.15 CCN1CCCCC1C 2230a_100000211376_100000210202 [0,1,0,1,0,0|1,0,1]=4 11515 B9R1.15 CCN1CCCCC1C 269982a_100000211376_100000204670 [0,1,0,1,0,0|1,0,1]=4 11516 B9R1.15 CCN1CCCCC1C 34a_100000211376_100000210202 [0,1,0,1,0,0|1,0,1]=4 11517 B9R1.15 CN1CCCCC1CO 2230a_100000210821_200000210301 [0,1,0,1,0,0|2,0,0]=4 11518 B9R1.15 CN1CCCCC1CO 269982a_100000210821_200000210301 [0,1,0,1,0,0|2,0,0]=4 11519 B9R1.15 CN1CCCCC1CO 34a_100000210821_200000210301 [0,1,0,1,0,0|2,0,0]=4 11520 B9R1.15 CNC1CCCCC1=O 34a_100102657272_100000754470 [0,1,0,1,0,0|0,0,0]=2 11521 B9R1.15 CNC1CCCCC1=O 7a_106832991635_100000204591 [0,1,0,1,0,0|0,0,0]=2 11522 B9R1.15 CNC1CCCCC1C 2230a_100000211402_200000210301 [0,1,0,1,0,0|1,0,1]=4 11523 B9R1.15 CNC1CCCCC1C 269862a_106832991636_100000210921 [0,1,0,1,0,0|1,0,1]=4 11524 B9R1.15 CNC1CCCCC1C 270004a_106832991635_100000210921 [0,1,0,1,0,0|1,0,1]=4 11525 B9R1.15 CNC1CCCCC1C 34a_100000211402_200000210301 [0,1,0,1,0,0|1,0,1]=4 11526 B9R1.15 CNC1CCCCC1F 34a_100102657272_100015423560 [0,1,0,1,0,0|1,0,1]=4 11527 B9R1.15 CNC1CCCCC1O 34a_100102657272_100000038908 [0,1,0,1,0,0|0,0,2]=4 11528 B9R1.15 CNC1CCCNC1=O 2230a_100000747585_200000210301 [0,1,0,1,0,0|1,0,0]=3 11529 B9R1.15 CNC1CCCNC1=O 2230a_106832991635_100000687798 [0,1,0,1,0,0|1,0,0]=3 11530 B9R1.15 CNC1CCCNC1=O 34a_100000747585_200000210301 [0,1,0,1,0,0|1,0,0]=3 11531 B9R1.15 CNC1CCCNC1=O 34a_100102657272_100000687798 [0,1,0,1,0,0|1,0,0]=3 11532 B9R1.15 CNC1CCCNC1=O 7a_106832991635_100000687798 [0,1,0,1,0,0|1,0,0]=3 11533 B9R1.15 CNC1COCCC1=O 34a_100102657272_100012180262 [0,1,0,1,0,0|1,0,0]=3 11534 B9R1.15 CNC1COCCC1=O 7a_106832991635_100012180262 [0,1,0,1,0,0|1,0,0]=3 11535 B9R1.15 CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_200000210301 [0,1,0,1,0,0|1,0,1]=4 11536 B9R1.15 CN[C@@H]1CCCC[C@H]1F 34a_100015195156_200000210301 [0,1,0,1,0,0|1,0,1]=4 11537 B9R1.15 COC1CCCCC1=O 34a_100011214950_200000210301 [0,1,0,1,0,0|0,0,0]=2 11538 B9R1.15 COC1CCCCC1=O 34a_100138415774_100000754470 [0,1,0,1,0,0|0,0,0]=2 11539 B9R1.15 COC1CCCCC1C 34a_100000211207_200000210301 [0,1,0,1,0,0|0,0,2]=4 11540 B9R1.15 COC1CCCCC1C 7a_100000211207_200000210301 [0,1,0,1,0,0|0,0,2]=4 11541 B9R1.15 COC1CCCCC1Cl 34a_100000038908_200000210301 [0,1,0,1,0,0|1,0,1]=4 11542 B9R1.15 COC1CCCCC1Cl 7a_100000038908_200000210301 [0,1,0,1,0,0|1,0,1]=4 11543 B9R1.15 COC1CCCCC1F 34a_100138415774_100015423560 [0,1,0,1,0,0|1,0,1]=4 11544 B9R1.15 COC1CCCCC1O 34a_100138415774_100000038908 [0,1,0,1,0,0|0,0,2]=4 11545 B9R1.15 COC1CCCNC1=O 34a_100000073722_200000210301 [0,1,0,1,0,0|1,0,0]=3 11546 B9R1.15 COC1CCCNC1=O 34a_100138415774_100000687798 [0,1,0,1,0,0|1,0,0]=3 11547 B9R1.15 COC1COCCC1=O 34a_100138415774_100012180262 [0,1,0,1,0,0|1,0,0]=3 11548 B9R1.15 CO[C@@H]1CCCC[C@H]1F 34a_100009816020_200000210301 [0,1,0,1,0,0|1,0,1]=4 11549 B9R1.15 CO[C@@H]1CCCC[C@H]1F 7a_100009816020_200000210301 [0,1,0,1,0,0|1,0,1]=4 11550 B9R1.15 CO[C@H]1CCCC[C@H]1N 34a_100015191688_200000210301 [0,1,0,1,0,0|1,0,1]=4 11551 B9R1.15 CSC1CCCCC1=O 62a_100000204591_200000210301 [0,1,0,1,0,0|0,0,0]=2 11552 B9R1.15 CSC1CCCCC1=O 62a_200000210301_100000204591 [0,1,0,1,0,0|0,0,0]=2 11553 B9R1.15 CSC1CCCCC1F 62a_100015423560_200000210301 [0,1,0,1,0,0|1,0,1]=4 11554 B9R1.15 CSC1CCCCC1F 62a_200000210301_100015423560 [0,1,0,1,0,0|1,0,1]=4 11555 B9R1.15 CSC1CCCCC1O 62a_100000038908_200000210301 [0,1,0,1,0,0|0,0,2]=4 11556 B9R1.15 CSC1CCCCC1O 62a_200000210301_100000038908 [0,1,0,1,0,0|0,0,2]=4 11557 B9R1.15 CSC1CCCNC1=O 62a_100000687798_200000210301 [0,1,0,1,0,0|1,0,0]=3 11558 B9R1.15 CSC1CCCNC1=O 62a_200000210301_100000687798 [0,1,0,1,0,0|1,0,0]=3 11559 B9R1.15 CSC1COCCC1=O 62a_100012180262_200000210301 [0,1,0,1,0,0|1,0,0]=3 11560 B9R1.15 CSC1COCCC1=O 62a_200000210301_100012180262 [0,1,0,1,0,0|1,0,0]=3 11561 B9R1.15 [13CH3]N1CCCCC1CO 2230a_100000210821_200025704644 [0,1,0,1,0,0|2,0,0]=4 11562 B9R1.15 [13CH3]N1CCCCC1CO 269982a_100000210821_200025704644 [0,1,0,1,0,0|2,0,0]=4 11563 B9R1.15 [13CH3]N1CCCCC1CO 34a_100000210821_200025704644 [0,1,0,1,0,0|2,0,0]=4 11564 B9R1.15 [13CH3]NC1CCCNC1=O 2230a_100000747585_200025704644 [0,1,0,1,0,0|1,0,0]=3 11565 B9R1.15 [13CH3]NC1CCCNC1=O 34a_100000747585_200025704644 [0,1,0,1,0,0|1,0,0]=3 11566 B9R1.15 [13CH3]N[C@@H]1CCCC[C@H]1F 2230a_100015195156_200025704644 [0,1,0,1,0,0|1,0,1]=4 11567 B9R1.15 [13CH3]N[C@@H]1CCCC[C@H]1F 34a_100015195156_200025704644 [0,1,0,1,0,0|1,0,1]=4 11568 B9R1.15 [13CH3]OC1CCCCC1=O 34a_100011214950_200025704644 [0,1,0,1,0,0|0,0,0]=2 11569 B9R1.15 [13CH3]OC1CCCCC1Cl 34a_100000038908_200025704644 [0,1,0,1,0,0|1,0,1]=4 11570 B9R1.15 [13CH3]OC1CCCCC1Cl 7a_100000038908_200025704644 [0,1,0,1,0,0|1,0,1]=4 11571 B9R1.15 [13CH3]OC1CCCNC1=O 34a_100000073722_200025704644 [0,1,0,1,0,0|1,0,0]=3 11572 B9R1.15 [13CH3]O[C@@H]1CCCC[C@H]1F 34a_100009816020_200025704644 [0,1,0,1,0,0|1,0,1]=4 11573 B9R1.15 [13CH3]O[C@@H]1CCCC[C@H]1F 7a_100009816020_200025704644 [0,1,0,1,0,0|1,0,1]=4 11574 B9R1.15 [13CH3]O[C@H]1CCCC[C@H]1N 34a_100015191688_200025704644 [0,1,0,1,0,0|1,0,1]=4 11575 B9R1.15 [13CH3]SC1CCCCC1=O 62a_100000204591_200025704644 [0,1,0,1,0,0|0,0,0]=2 11576 B9R1.15 [13CH3]SC1CCCCC1=O 62a_200025704644_100000204591 [0,1,0,1,0,0|0,0,0]=2 11577 B9R1.15 [13CH3]SC1CCCCC1F 62a_100015423560_200025704644 [0,1,0,1,0,0|1,0,1]=4 11578 B9R1.15 [13CH3]SC1CCCCC1F 62a_200025704644_100015423560 [0,1,0,1,0,0|1,0,1]=4 11579 B9R1.15 [13CH3]SC1CCCCC1O 62a_100000038908_200025704644 [0,1,0,1,0,0|0,0,2]=4 11580 B9R1.15 [13CH3]SC1CCCCC1O 62a_200025704644_100000038908 [0,1,0,1,0,0|0,0,2]=4 11581 B9R1.15 [13CH3]SC1CCCNC1=O 62a_100000687798_200025704644 [0,1,0,1,0,0|1,0,0]=3 11582 B9R1.15 [13CH3]SC1CCCNC1=O 62a_200025704644_100000687798 [0,1,0,1,0,0|1,0,0]=3 11583 B9R1.15 [13CH3]SC1COCCC1=O 62a_100012180262_200025704644 [0,1,0,1,0,0|1,0,0]=3 11584 B9R1.15 [13CH3]SC1COCCC1=O 62a_200025704644_100012180262 [0,1,0,1,0,0|1,0,0]=3 11585 B9R1.27 CCN1C(CCC1C)C 2230a_100000687148_100000210202 [0,1,0,1,0,0|1,0,1]=4 11586 B9R1.27 CCN1C(CCC1C)C 269982a_100000687148_100000204670 [0,1,0,1,0,0|1,0,1]=4 11587 B9R1.27 CCN1C(CCC1C)C 34a_100000687148_100000210202 [0,1,0,1,0,0|1,0,1]=4 11588 B9R1.27 CNC1C(=O)CCC1=O 2230a_106832991635_100009820769 [0,1,0,1,0,0|1,0,1]=4 11589 B9R1.27 CNC1C(=O)CCC1=O 7a_106832991635_100009820769 [0,1,0,1,0,0|1,0,1]=4 11590 B9R1.27 CSC1C(=O)CCC1=O 62a_100009820769_200000210301 [0,1,0,1,0,0|1,0,1]=4 11591 B9R1.27 CSC1C(=O)CCC1=O 62a_200000210301_100009820769 [0,1,0,1,0,0|1,0,1]=4 11592 B9R1.27 [13CH3]SC1C(=O)CCC1=O 62a_100009820769_200025704644 [0,1,0,1,0,0|1,0,1]=4 11593 B9R1.27 [13CH3]SC1C(=O)CCC1=O 62a_200025704644_100009820769 [0,1,0,1,0,0|1,0,1]=4 11594 B9R1.33 CCNC1CCCC1=O 2230a_100015525214_100000211823 [0,1,0,1,0,0|1,0,0]=3 11595 B9R1.33 CCNC1CCNC1=O 2230a_100016995588_100000210202 [0,1,0,1,0,0|1,0,0]=3 11596 B9R1.33 CCNC1CCNC1=O 34a_100016995588_100000210202 [0,1,0,1,0,0|1,0,0]=3 11597 B9R1.33 CCNC1CCOC1=O 2230a_100015525214_100000211211 [0,1,0,1,0,0|1,0,0]=3 11598 B9R1.33 CCN[C@@H]1CONC1=O 2230a_100000765999_100000210202 [0,1,0,1,0,0|2,0,0]=4 11599 B9R1.33 CCN[C@@H]1CONC1=O 34a_100000765999_100000210202 [0,1,0,1,0,0|2,0,0]=4 11600 B9R1.33 CCOC1CCCC1=O 34a_100121572206_100000709159 [0,1,0,1,0,0|1,0,0]=3 11601 B9R1.33 CCOC1CCCC1=O 34a_200000719330_100000210202 [0,1,0,1,0,0|1,0,0]=3 11602 B9R1.33 CCOC1CCOC1=O 34a_100121572206_100000211211 [0,1,0,1,0,0|1,0,0]=3 11603 B9R1.33 CCO[C@H]1CCNC1=O 34a_100000688343_100000210202 [0,1,0,1,0,0|1,0,0]=3 11604 B9R1.33 CCSC1CCCC1=O 62a_100000210202_100000211823 [0,1,0,1,0,0|1,0,0]=3 11605 B9R1.33 CCSC1CCCC1=O 62a_100000211823_100000210202 [0,1,0,1,0,0|1,0,0]=3 11606 B9R1.33 CCSC1CCOC1=O 62a_100000210202_100000211211 [0,1,0,1,0,0|1,0,0]=3 11607 B9R1.33 CCSC1CCOC1=O 62a_100000211211_100000210202 [0,1,0,1,0,0|1,0,0]=3 11608 B9R1.33 COCC1=CCCC1=O 34a_100000087531_200000210301 [0,1,0,1,0,0|1,0,1]=4 11609 B9R1.33 COCC1CCNC1=O 34a_100000133458_200000210301 [0,1,0,1,0,0|1,0,0]=3 11610 B9R1.33 CSCN1CCCC1=O 62a_100000026320_200000210301 [0,1,0,1,0,0|2,0,0]=4 11611 B9R1.33 CSCN1CCCC1=O 62a_200000210301_100000026320 [0,1,0,1,0,0|2,0,0]=4 11612 B9R1.33 O=C1CCCC1OCF 34a_200000719330_100015361967 [0,1,0,1,0,0|2,0,0]=4 11613 B9R1.33 O=C1CCCC1SCF 62a_100000211823_100015361967 [0,1,0,1,0,0|2,0,0]=4 11614 B9R1.33 O=C1CCCC1SCF 62a_100015361967_100000211823 [0,1,0,1,0,0|2,0,0]=4 11615 B9R1.33 O=C1NCCC1NCF 34a_100016995588_100015361967 [0,1,0,1,0,0|2,0,0]=4 11616 B9R1.33 O=C1NCC[C@@H]1OCF 34a_100000688343_100015361967 [0,1,0,1,0,0|2,0,0]=4 11617 B9R1.33 O=C1OCCC1SCF 62a_100000211211_100015361967 [0,1,0,1,0,0|2,0,0]=4 11618 B9R1.33 O=C1OCCC1SCF 62a_100015361967_100000211211 [0,1,0,1,0,0|2,0,0]=4 11619 B9R1.33 [13CH3]OCC1=CCCC1=O 34a_100000087531_200025704644 [0,1,0,1,0,0|1,0,1]=4 11620 B9R1.33 [13CH3]OCC1CCNC1=O 34a_100000133458_200025704644 [0,1,0,1,0,0|1,0,0]=3 11621 B9R1.33 [13CH3]SCN1CCCC1=O 62a_100000026320_200025704644 [0,1,0,1,0,0|2,0,0]=4 11622 B9R1.33 [13CH3]SCN1CCCC1=O 62a_200025704644_100000026320 [0,1,0,1,0,0|2,0,0]=4 11623 B9R1.48 CN1CCCCC(C1)O 2230a_100025706797_200000210301 [0,1,0,1,0,0|0,0,2]=4 11624 B9R1.48 CN1CCCCC(C1)O 269982a_100025706797_200000210301 [0,1,0,1,0,0|0,0,2]=4 11625 B9R1.48 CN1CCCNC(=O)C1 2230a_100015190381_200000210301 [0,1,0,1,0,0|1,0,0]=3 11626 B9R1.48 [13CH3]N1CCCCC(C1)O 2230a_100025706797_200025704644 [0,1,0,1,0,0|0,0,2]=4 11627 B9R1.48 [13CH3]N1CCCCC(C1)O 269982a_100025706797_200025704644 [0,1,0,1,0,0|0,0,2]=4 11628 B9R1.48 [13CH3]N1CCCNC(=O)C1 2230a_100015190381_200025704644 [0,1,0,1,0,0|1,0,0]=3 11629 B9R1.49 CC1CCCN(CC1)C 2230a_100025706717_200000210301 [0,1,0,1,0,0|1,0,1]=4 11630 B9R1.49 CC1CCCN(CC1)C 269982a_100025706717_200000210301 [0,1,0,1,0,0|1,0,1]=4 11631 B9R1.49 CC1CCCN(CC1)C 34a_100025706717_200000210301 [0,1,0,1,0,0|1,0,1]=4 11632 B9R1.49 CC1CCCN(CC1)[13CH3] 2230a_100025706717_200025704644 [0,1,0,1,0,0|1,0,1]=4 11633 B9R1.49 CC1CCCN(CC1)[13CH3] 269982a_100025706717_200025704644 [0,1,0,1,0,0|1,0,1]=4 11634 B9R1.49 CC1CCCN(CC1)[13CH3] 34a_100025706717_200025704644 [0,1,0,1,0,0|1,0,1]=4 11635 B9R1.49 CN1CCCC(CC1)O 2230a_100015186869_200000210301 [0,1,0,1,0,0|0,0,2]=4 11636 B9R1.49 CN1CCCC(CC1)O 269982a_100015186869_200000210301 [0,1,0,1,0,0|0,0,2]=4 11637 B9R1.49 CN1CCCN(CC1)C 2230a_100000211313_200000210301 [0,1,0,1,0,0|2,0,0]=4 11638 B9R1.49 CN1CCCN(CC1)C 269982a_100000211313_200000210301 [0,1,0,1,0,0|2,0,0]=4 11639 B9R1.49 CN1CCCN(CC1)[13CH3] 2230a_100000211313_200025704644 [0,1,0,1,0,0|2,0,0]=4 11640 B9R1.49 CN1CCCN(CC1)[13CH3] 269982a_100000211313_200025704644 [0,1,0,1,0,0|2,0,0]=4 11641 B9R1.49 CN1CCNC(=O)CC1 2230a_100000698595_200000210301 [0,1,0,1,0,0|1,0,0]=3 11642 B9R1.49 CN1CCNC(=O)CC1 269982a_100000698595_200000210301 [0,1,0,1,0,0|1,0,0]=3 11643 B9R1.49 [13CH3]N1CCCC(CC1)O 2230a_100015186869_200025704644 [0,1,0,1,0,0|0,0,2]=4 11644 B9R1.49 [13CH3]N1CCCC(CC1)O 269982a_100015186869_200025704644 [0,1,0,1,0,0|0,0,2]=4 11645 B9R1.49 [13CH3]N1CCNC(=O)CC1 2230a_100000698595_200025704644 [0,1,0,1,0,0|1,0,0]=3 11646 B9R1.49 [13CH3]N1CCNC(=O)CC1 269982a_100000698595_200025704644 [0,1,0,1,0,0|1,0,0]=3 11647 B9R1.50 CN1CCCCCCC1 2230a_100000211400_200000210301 [0,1,0,1,0,0|2,0,0]=4 11648 B9R1.50 CN1CCCCCCC1 269982a_100000211400_200000210301 [0,1,0,1,0,0|2,0,0]=4 11649 B9R1.50 CN1CCCCCCC1 34a_100000211400_200000210301 [0,1,0,1,0,0|2,0,0]=4 11650 B9R1.50 [13CH3]N1CCCCCCC1 2230a_100000211400_200025704644 [0,1,0,1,0,0|2,0,0]=4 11651 B9R1.50 [13CH3]N1CCCCCCC1 269982a_100000211400_200025704644 [0,1,0,1,0,0|2,0,0]=4 11652 B9R1.50 [13CH3]N1CCCCCCC1 34a_100000211400_200025704644 [0,1,0,1,0,0|2,0,0]=4 11653 B9R1.58 CCC1CN(C1)CCF 2230a_100015205115_100011217306 [0,1,0,1,0,0|2,0,0]=4 11654 B9R1.58 CCC1CN(C1)CCF 269982a_100015205115_100011217306 [0,1,0,1,0,0|2,0,0]=4 11655 B9R1.58 CCC1CN(C1)CCO 2230a_100015205115_100000211926 [0,1,0,1,0,0|2,0,0]=4 11656 B9R1.58 CCC1CN(C1)CCO 269982a_100015205115_100000211926 [0,1,0,1,0,0|2,0,0]=4 11657 B9R1.58 CCC1CN(C1)COC 2230a_100015205115_100000766300 [0,1,0,1,0,0|2,0,0]=4 11658 B9R1.58 CCC1CN(C1)COC 269982a_100015205115_100000766300 [0,1,0,1,0,0|2,0,0]=4 11659 B9R1.58 CCC1CN(C1)CSC 2230a_100015205115_100011218213 [0,1,0,1,0,0|2,0,0]=4 11660 B9R1.58 CCC1CN(C1)CSC 269982a_100015205115_100011218213 [0,1,0,1,0,0|2,0,0]=4 11661 B9R1.58 CCCN1CC(C1)CC 2230a_100015205115_100000210303 [0,1,0,1,0,0|1,0,1]=4 11662 B9R1.58 CCCN1CC(C1)CC 269982a_100015205115_100000210303 [0,1,0,1,0,0|1,0,1]=4 11663 B9R1.58 CCN1CC(C1)COC 2230a_100016993750_100000210202 [0,1,0,1,0,0|2,0,0]=4 11664 B9R1.58 CCN1CC(C1)COC 269982a_100016993750_100000204670 [0,1,0,1,0,0|2,0,0]=4 11665 B9R1.58 CCN1CC(C1)COC 34a_100016993750_100000210202 [0,1,0,1,0,0|2,0,0]=4 11666 B9R1.58 CCNC1CN(C1)CC 2230a_200015199589_100000210202 [0,1,0,1,0,0|2,0,0]=4 11667 B9R1.58 CCOC1CN(C1)CC 269982a_100000732654_100000204670 [0,1,0,1,0,0|2,0,0]=4 11668 B9R1.58 CCOC1CN(C1)CC 34a_100000732654_100000210202 [0,1,0,1,0,0|2,0,0]=4 11669 B9R1.69 CC1CCN(CC1O)C 2230a_100000696640_200000210301 [0,1,0,1,0,0|2,0,0]=4 11670 B9R1.69 CC1CCN(CC1O)C 269982a_100000696640_200000210301 [0,1,0,1,0,0|2,0,0]=4 11671 B9R1.69 CC1CCN(CC1O)[13CH3] 2230a_100000696640_200025704644 [0,1,0,1,0,0|2,0,0]=4 11672 B9R1.69 CC1CCN(CC1O)[13CH3] 269982a_100000696640_200025704644 [0,1,0,1,0,0|2,0,0]=4 11673 B9R1.69 CN1CCN(C(=O)C1)C 2230a_100000187256_200000210301 [0,1,0,1,0,0|2,0,0]=4 11674 B9R1.69 CN1CCN(C(=O)C1)C 269982a_100000187256_200000210301 [0,1,0,1,0,0|2,0,0]=4 11675 B9R1.69 CN1CCN(CC1=O)[13CH3] 2230a_100000187256_200025704644 [0,1,0,1,0,0|2,0,0]=4 11676 B9R1.69 CN1CCN(CC1=O)[13CH3] 269982a_100000187256_200025704644 [0,1,0,1,0,0|2,0,0]=4 11677 B9R1.73 C#CCC(=O)C1CCC1 1458a_100000209988_100000184674 [0,1,0,1,0,0|0,0,1]=3 11678 B9R1.73 C#CCC(=O)C1CCC1 1458a_100011220946_100000749161 [0,1,0,1,0,0|0,0,1]=3 11679 B9R1.73 C#CCC(=O)C1CCO1 1458a_100000089072_100000184674 [0,1,0,1,0,0|1,0,1]=4 11680 B9R1.73 C#CCC(=O)C1COC1 1458a_100000758290_100000184674 [0,1,0,1,0,0|1,0,1]=4 11681 B9R1.73 C#CCC(=O)C1COC1 1458a_100011220946_100000687716 [0,1,0,1,0,0|1,0,1]=4 11682 B9R1.73 C#CCC(=O)N1CCC1 527a_100000754969_100011220946 [0,1,0,1,0,0|1,0,1]=4 11683 B9R1.73 C=CCC(=O)C1CCC1 1458a_100000209988_100000210623 [0,1,0,1,0,0|0,0,1]=3 11684 B9R1.73 C=CCC(=O)C1CCC1 1458a_100000210193_100000749161 [0,1,0,1,0,0|0,0,1]=3 11685 B9R1.73 C=CCC(=O)C1CCO1 1458a_100000089072_100000210623 [0,1,0,1,0,0|1,0,1]=4 11686 B9R1.73 C=CCC(=O)C1COC1 1458a_100000210193_100000687716 [0,1,0,1,0,0|1,0,1]=4 11687 B9R1.73 C=CCC(=O)C1COC1 1458a_100000758290_100000210623 [0,1,0,1,0,0|1,0,1]=4 11688 B9R1.73 C=CCC(=O)N1CCC1 11a_100000754969_100000210193 [0,1,0,1,0,0|1,0,1]=4 11689 B9R1.73 C=CCC(=O)N1CCC1 240690a_100000754969_100000210193 [0,1,0,1,0,0|1,0,1]=4 11690 B9R1.73 C=CCC(=O)N1CCC1 527a_100000754969_100000210193 [0,1,0,1,0,0|1,0,1]=4 11691 B9R1.73 CC#CC(=O)C1CCC1 1458a_100000763181_100000749161 [0,1,0,1,0,0|0,0,1]=3 11692 B9R1.73 CC#CC(=O)C1COC1 1458a_100000763181_100000687716 [0,1,0,1,0,0|1,0,1]=4 11693 B9R1.73 CC=CC(=O)C1CCC1 1458a_100000210699_100000749161 [0,1,0,1,0,0|0,0,1]=3 11694 B9R1.73 CC=CC(=O)C1COC1 1458a_100000210699_100000687716 [0,1,0,1,0,0|1,0,1]=4 11695 B9R1.73 CC=CC(=O)N1CCC1 11a_100000754969_100000210699 [0,1,0,1,0,0|1,0,1]=4 11696 B9R1.73 CC=CC(=O)N1CCC1 240690a_100000754969_100000210699 [0,1,0,1,0,0|1,0,1]=4 11697 B9R1.73 CCCC(=O)C1CCC1 1458a_100000209988_100000210303 [0,1,0,1,0,0|0,0,0]=2 11698 B9R1.73 CCCC(=O)C1CCC1 1458a_100000211992_100000749161 [0,1,0,1,0,0|0,0,0]=2 11699 B9R1.73 CCCC(=O)C1CCO1 1458a_100000089072_100000210303 [0,1,0,1,0,0|1,0,0]=3 11700 B9R1.73 CCCC(=O)C1COC1 1458a_100000211992_100000687716 [0,1,0,1,0,0|1,0,0]=3 11701 B9R1.73 CCCC(=O)C1COC1 1458a_100000758290_100000210303 [0,1,0,1,0,0|1,0,0]=3 11702 B9R1.73 CCCC(=O)N1CCC1 11a_100000754969_100000211992 [0,1,0,1,0,0|1,0,0]=3 11703 B9R1.73 CCCC(=O)N1CCC1 240690a_100000754969_100000211992 [0,1,0,1,0,0|1,0,0]=3 11704 B9R1.73 CCCC(=O)N1CCC1 527a_100000754969_100000211992 [0,1,0,1,0,0|1,0,0]=3 11705 B9R1.73 CCCC(C)N1CCC1 269982a_100000754969_100000766640 [0,1,0,1,0,0|2,0,0]=4 11706 B9R1.73 CCCN(C)C1CCC1 2230a_100000758072_100000210303 [0,1,0,1,0,0|2,0,0]=4 11707 B9R1.73 CCCN(C)C1CCC1 269982a_100000747261_100000749161 [0,1,0,1,0,0|2,0,0]=4 11708 B9R1.73 CCCN(C)C1CCC1 269982a_100000758072_100000210303 [0,1,0,1,0,0|2,0,0]=4 11709 B9R1.73 CCCN(C)C1CCC1 270004a_100000747261_100000241760 [0,1,0,1,0,0|2,0,0]=4 11710 B9R1.73 CCCN(C)C1CCC1 34a_100000758072_100000210303 [0,1,0,1,0,0|2,0,0]=4 11711 B9R1.73 CCNC(=O)C1CCC1 11a_100015525214_100000209988 [0,1,0,1,0,0|0,0,0]=2 11712 B9R1.73 CCNC(=O)C1CCC1 240690a_100015525214_100000209988 [0,1,0,1,0,0|0,0,0]=2 11713 B9R1.73 CCNC(=O)C1CCC1 527a_100015525214_100000209988 [0,1,0,1,0,0|0,0,0]=2 11714 B9R1.73 CCNC(=O)C1CCO1 11a_100015525214_100000089072 [0,1,0,1,0,0|1,0,0]=3 11715 B9R1.73 CCNC(=O)C1CCO1 240690a_100015525214_100000089072 [0,1,0,1,0,0|1,0,0]=3 11716 B9R1.73 CCNC(=O)C1CCO1 527a_100015525214_100000089072 [0,1,0,1,0,0|1,0,0]=3 11717 B9R1.73 CCNC(=O)C1COC1 11a_100015525214_100000758290 [0,1,0,1,0,0|1,0,0]=3 11718 B9R1.73 CCNC(=O)C1COC1 240690a_100015525214_100000758290 [0,1,0,1,0,0|1,0,0]=3 11719 B9R1.73 CCNC(=O)C1COC1 527a_100015525214_100000758290 [0,1,0,1,0,0|1,0,0]=3 11720 B9R1.73 CCNC(=O)N1CCC1 2708a_100015525214_100000754969 [0,1,0,1,0,0|1,0,0]=3 11721 B9R1.73 CCNC(=O)N1CCC1 273464a_100015525214_100000754969 [0,1,0,1,0,0|1,0,0]=3 11722 B9R1.73 CCNC(C)C1CCC1 2230a_100016994624_100000210202 [0,1,0,1,0,0|1,0,1]=4 11723 B9R1.73 CCNC(C)C1CCC1 269862a_100015525214_100000760154 [0,1,0,1,0,0|1,0,1]=4 11724 B9R1.73 CCNC(C)C1CCC1 34a_100016994624_100000210202 [0,1,0,1,0,0|1,0,1]=4 11725 B9R1.73 CCOC(C)C1CCC1 34a_100000766398_100000210202 [0,1,0,1,0,0|1,0,1]=4 11726 B9R1.73 CCOC(C)C1CCC1 7a_100000766398_100000210202 [0,1,0,1,0,0|1,0,1]=4 11727 B9R1.73 CN(CCF)C1CCC1 2230a_100000758072_100011217306 [0,1,0,1,0,0|2,0,0]=4 11728 B9R1.73 CN(CCF)C1CCC1 269982a_100000758072_100011217306 [0,1,0,1,0,0|2,0,0]=4 11729 B9R1.73 CN(CCF)C1CCC1 34a_100000758072_100011217306 [0,1,0,1,0,0|2,0,0]=4 11730 B9R1.73 CN(CCO)C1CCC1 2230a_100000758072_100000211926 [0,1,0,1,0,0|2,0,0]=4 11731 B9R1.73 CN(CCO)C1CCC1 269982a_100000210263_100000749161 [0,1,0,1,0,0|2,0,0]=4 11732 B9R1.73 CN(CCO)C1CCC1 269982a_100000758072_100000211926 [0,1,0,1,0,0|2,0,0]=4 11733 B9R1.73 CN(CCO)C1CCC1 270004a_100000210263_100000241760 [0,1,0,1,0,0|2,0,0]=4 11734 B9R1.73 CN(CCO)C1CCC1 34a_100000758072_100000211926 [0,1,0,1,0,0|2,0,0]=4 11735 B9R1.73 CNCC(=O)C1CCC1 2230a_106832991635_100000686122 [0,1,0,1,0,0|0,0,0]=2 11736 B9R1.73 CNCC(=O)C1CCC1 34a_100102657272_100000686122 [0,1,0,1,0,0|0,0,0]=2 11737 B9R1.73 CNCC(=O)C1CCC1 7a_106832991635_100000686122 [0,1,0,1,0,0|0,0,0]=2 11738 B9R1.73 CNCC(=O)N1CCC1 2230a_106832991635_100000185095 [0,1,0,1,0,0|1,0,0]=3 11739 B9R1.73 CNCC(=O)N1CCC1 34a_100102657272_100000185095 [0,1,0,1,0,0|1,0,0]=3 11740 B9R1.73 CNCC(=O)N1CCC1 7a_106832991635_100000185095 [0,1,0,1,0,0|1,0,0]=3 11741 B9R1.73 CNNC(=O)C1CCC1 22a_100016993582_100000209988 [0,1,0,1,0,0|1,0,0]=3 11742 B9R1.73 CNNC(=O)C1CCO1 22a_100016993582_100000089072 [0,1,0,1,0,0|2,0,0]=4 11743 B9R1.73 CNNC(=O)C1COC1 22a_100016993582_100000758290 [0,1,0,1,0,0|2,0,0]=4 11744 B9R1.73 COCC(=O)C1CCC1 1458a_100000210968_100000749161 [0,1,0,1,0,0|0,0,0]=2 11745 B9R1.73 COCC(=O)C1CCC1 34a_100138415774_100000686122 [0,1,0,1,0,0|0,0,0]=2 11746 B9R1.73 COCC(=O)C1COC1 1458a_100000210968_100000687716 [0,1,0,1,0,0|1,0,0]=3 11747 B9R1.73 COCC(=O)N1CCC1 11a_100000754969_100000210968 [0,1,0,1,0,0|1,0,0]=3 11748 B9R1.73 COCC(=O)N1CCC1 240690a_100000754969_100000210968 [0,1,0,1,0,0|1,0,0]=3 11749 B9R1.73 COCC(=O)N1CCC1 34a_100138415774_100000185095 [0,1,0,1,0,0|1,0,0]=3 11750 B9R1.73 COCC(=O)N1CCC1 527a_100000754969_100000210968 [0,1,0,1,0,0|1,0,0]=3 11751 B9R1.73 COCN(C)C1CCC1 2230a_100000758072_100000766300 [0,1,0,1,0,0|2,0,0]=4 11752 B9R1.73 COCN(C)C1CCC1 269982a_100000758072_100000766300 [0,1,0,1,0,0|2,0,0]=4 11753 B9R1.73 CSCC(=O)C1CCC1 1458a_100000184570_100000749161 [0,1,0,1,0,0|0,0,0]=2 11754 B9R1.73 CSCC(=O)C1CCC1 62a_100000686122_200000210301 [0,1,0,1,0,0|0,0,0]=2 11755 B9R1.73 CSCC(=O)C1CCC1 62a_200000210301_100000686122 [0,1,0,1,0,0|0,0,0]=2 11756 B9R1.73 CSCC(=O)C1COC1 1458a_100000184570_100000687716 [0,1,0,1,0,0|1,0,0]=3 11757 B9R1.73 CSCC(=O)N1CCC1 11a_100000754969_100000184570 [0,1,0,1,0,0|1,0,0]=3 11758 B9R1.73 CSCC(=O)N1CCC1 240690a_100000754969_100000184570 [0,1,0,1,0,0|1,0,0]=3 11759 B9R1.73 CSCC(=O)N1CCC1 527a_100000754969_100000184570 [0,1,0,1,0,0|1,0,0]=3 11760 B9R1.73 CSCC(=O)N1CCC1 62a_100000185095_200000210301 [0,1,0,1,0,0|1,0,0]=3 11761 B9R1.73 CSCC(=O)N1CCC1 62a_200000210301_100000185095 [0,1,0,1,0,0|1,0,0]=3 11762 B9R1.73 CSCN(C)C1CCC1 2230a_100000758072_100011218213 [0,1,0,1,0,0|2,0,0]=4 11763 B9R1.73 CSCN(C)C1CCC1 269982a_100000758072_100011218213 [0,1,0,1,0,0|2,0,0]=4 11764 B9R1.73 CSCN(C)C1CCC1 34a_100000758072_100011218213 [0,1,0,1,0,0|2,0,0]=4 11765 B9R1.73 N#CCC(=O)C1CCC1 1458a_100000209988_100011214920 [0,1,0,1,0,0|0,0,1]=3 11766 B9R1.73 N#CCC(=O)C1CCC1 1458a_100051588842_100000749161 [0,1,0,1,0,0|0,0,1]=3 11767 B9R1.73 N#CCC(=O)C1CCO1 1458a_100000089072_100011214920 [0,1,0,1,0,0|1,0,1]=4 11768 B9R1.73 N#CCC(=O)C1COC1 1458a_100000758290_100011214920 [0,1,0,1,0,0|1,0,1]=4 11769 B9R1.73 N#CCC(=O)C1COC1 1458a_100051588842_100000687716 [0,1,0,1,0,0|1,0,1]=4 11770 B9R1.73 N#CCC(=O)N1CCC1 240690a_100000754969_100051588842 [0,1,0,1,0,0|1,0,1]=4 11771 B9R1.73 O=C(C=CBr)C1CCC1 1458a_100016273825_100000749161 [0,1,0,1,0,0|0,0,2]=4 11772 B9R1.73 O=C(C=CCl)C1CCC1 1458a_200016279998_100000749161 [0,1,0,1,0,0|0,0,2]=4 11773 B9R1.73 O=C(C=CI)C1CCC1 1458a_100016256311_100000749161 [0,1,0,1,0,0|0,0,2]=4 11774 B9R1.73 O=C(CCF)C1CCC1 1458a_100000209988_100011217306 [0,1,0,1,0,0|0,0,0]=2 11775 B9R1.73 O=C(CCF)C1CCO1 1458a_100000089072_100011217306 [0,1,0,1,0,0|1,0,0]=3 11776 B9R1.73 O=C(CCF)C1COC1 1458a_100000758290_100011217306 [0,1,0,1,0,0|1,0,0]=3 11777 B9R1.73 O=C(CCO)C1CCC1 1458a_100000209988_100000211926 [0,1,0,1,0,0|0,0,0]=2 11778 B9R1.73 O=C(CCO)C1CCC1 1458a_100011216618_100000749161 [0,1,0,1,0,0|0,0,0]=2 11779 B9R1.73 O=C(CCO)C1CCO1 1458a_100000089072_100000211926 [0,1,0,1,0,0|1,0,0]=3 11780 B9R1.73 O=C(CCO)C1COC1 1458a_100000758290_100000211926 [0,1,0,1,0,0|1,0,0]=3 11781 B9R1.73 O=C(CCO)C1COC1 1458a_100011216618_100000687716 [0,1,0,1,0,0|1,0,0]=3 11782 B9R1.73 O=C(CCO)N1CCC1 240690a_100000754969_100011216618 [0,1,0,1,0,0|1,0,0]=3 11783 B9R1.73 [13CH3]SCC(=O)C1CCC1 62a_100000686122_200025704644 [0,1,0,1,0,0|0,0,0]=2 11784 B9R1.73 [13CH3]SCC(=O)C1CCC1 62a_200025704644_100000686122 [0,1,0,1,0,0|0,0,0]=2 11785 B9R1.73 [13CH3]SCC(=O)N1CCC1 62a_100000185095_200025704644 [0,1,0,1,0,0|1,0,0]=3 11786 B9R1.73 [13CH3]SCC(=O)N1CCC1 62a_200025704644_100000185095 [0,1,0,1,0,0|1,0,0]=3 11787 B9R1.75 C#CCC(=O)CC1CC1 1458a_100000738066_100000184674 [0,1,0,1,0,0|0,0,1]=3 11788 B9R1.75 C#CCC(=O)CC1CC1 1458a_100011220946_100000742324 [0,1,0,1,0,0|0,0,1]=3 11789 B9R1.75 C#CCC(=O)CC1CO1 1458a_100011220946_100011216344 [0,1,0,1,0,0|1,0,1]=4 11790 B9R1.75 C#CCC(=O)CC1CS1 1458a_100011220946_100000031435 [0,1,0,1,0,0|1,0,1]=4 11791 B9R1.75 C#CCC(=O)C[C@@H]1CO1 1458a_100011220946_100000745022 [0,1,0,1,0,0|1,0,1]=4 11792 B9R1.75 C#CCC(=O)NC1CC1 1626a_100000212008_100011220946 [0,1,0,1,0,0|1,0,1]=4 11793 B9R1.75 C#CCC(=O)NC1CC1 527a_100000212008_100011220946 [0,1,0,1,0,0|1,0,1]=4 11794 B9R1.75 C=CCC(=O)CC1CC1 1458a_100000210193_100000742324 [0,1,0,1,0,0|0,0,1]=3 11795 B9R1.75 C=CCC(=O)CC1CC1 1458a_100000738066_100000210623 [0,1,0,1,0,0|0,0,1]=3 11796 B9R1.75 C=CCC(=O)CC1CO1 1458a_100000210193_100011216344 [0,1,0,1,0,0|1,0,1]=4 11797 B9R1.75 C=CCC(=O)CC1CS1 1458a_100000210193_100000031435 [0,1,0,1,0,0|1,0,1]=4 11798 B9R1.75 C=CCC(=O)C[C@@H]1CO1 1458a_100000210193_100000745022 [0,1,0,1,0,0|1,0,1]=4 11799 B9R1.75 C=CCC(=O)NC1CC1 1626a_100000212008_100000210193 [0,1,0,1,0,0|1,0,1]=4 11800 B9R1.75 C=CCC(=O)NC1CC1 240690a_100000212008_100000210193 [0,1,0,1,0,0|1,0,1]=4 11801 B9R1.75 C=CCC(=O)NC1CC1 527a_100000212008_100000210193 [0,1,0,1,0,0|1,0,1]=4 11802 B9R1.75 CC#CC(=O)CC1CC1 1458a_100000763181_100000742324 [0,1,0,1,0,0|0,0,1]=3 11803 B9R1.75 CC#CC(=O)CC1CO1 1458a_100000763181_100011216344 [0,1,0,1,0,0|1,0,1]=4 11804 B9R1.75 CC#CC(=O)CC1CS1 1458a_100000763181_100000031435 [0,1,0,1,0,0|1,0,1]=4 11805 B9R1.75 CC#CC(=O)C[C@@H]1CO1 1458a_100000763181_100000745022 [0,1,0,1,0,0|1,0,1]=4 11806 B9R1.75 CC=CC(=O)CC1CC1 1458a_100000210699_100000742324 [0,1,0,1,0,0|0,0,1]=3 11807 B9R1.75 CC=CC(=O)CC1CO1 1458a_100000210699_100011216344 [0,1,0,1,0,0|1,0,1]=4 11808 B9R1.75 CC=CC(=O)CC1CS1 1458a_100000210699_100000031435 [0,1,0,1,0,0|1,0,1]=4 11809 B9R1.75 CC=CC(=O)C[C@@H]1CO1 1458a_100000210699_100000745022 [0,1,0,1,0,0|1,0,1]=4 11810 B9R1.75 CC=CC(=O)NC1CC1 1626a_100000212008_100000210699 [0,1,0,1,0,0|1,0,1]=4 11811 B9R1.75 CC=CC(=O)NC1CC1 240690a_100000212008_100000210699 [0,1,0,1,0,0|1,0,1]=4 11812 B9R1.75 CCCC(=O)CC1CC1 1458a_100000211992_100000742324 [0,1,0,1,0,0|0,0,0]=2 11813 B9R1.75 CCCC(=O)CC1CC1 1458a_100000738066_100000210303 [0,1,0,1,0,0|0,0,0]=2 11814 B9R1.75 CCCC(=O)CC1CO1 1458a_100000211992_100011216344 [0,1,0,1,0,0|1,0,0]=3 11815 B9R1.75 CCCC(=O)CC1CS1 1458a_100000211992_100000031435 [0,1,0,1,0,0|1,0,0]=3 11816 B9R1.75 CCCC(=O)C[C@@H]1CO1 1458a_100000211992_100000745022 [0,1,0,1,0,0|1,0,0]=3 11817 B9R1.75 CCCC(=O)NC1CC1 1626a_100000212008_100000211992 [0,1,0,1,0,0|1,0,0]=3 11818 B9R1.75 CCCC(=O)NC1CC1 240690a_100000212008_100000211992 [0,1,0,1,0,0|1,0,0]=3 11819 B9R1.75 CCCC(=O)NC1CC1 527a_100000212008_100000211992 [0,1,0,1,0,0|1,0,0]=3 11820 B9R1.75 CCCN(C)CC1CC1 2230a_100000210729_200000210301 [0,1,0,1,0,0|2,0,0]=4 11821 B9R1.75 CCCN(C)CC1CC1 2230a_100000741881_100000210303 [0,1,0,1,0,0|2,0,0]=4 11822 B9R1.75 CCCN(C)CC1CC1 2230a_100000747261_100000742324 [0,1,0,1,0,0|2,0,0]=4 11823 B9R1.75 CCCN(C)CC1CC1 269982a_100000210729_200000210301 [0,1,0,1,0,0|2,0,0]=4 11824 B9R1.75 CCCN(C)CC1CC1 269982a_100000741881_100000210303 [0,1,0,1,0,0|2,0,0]=4 11825 B9R1.75 CCCN(C)CC1CC1 269982a_100000747261_100000756562 [0,1,0,1,0,0|2,0,0]=4 11826 B9R1.75 CCCN(C)CC1CC1 34a_100000210729_200000210301 [0,1,0,1,0,0|2,0,0]=4 11827 B9R1.75 CCCN([13CH3])CC1CC1 2230a_100000210729_200025704644 [0,1,0,1,0,0|2,0,0]=4 11828 B9R1.75 CCCN([13CH3])CC1CC1 269982a_100000210729_200025704644 [0,1,0,1,0,0|2,0,0]=4 11829 B9R1.75 CCCN([13CH3])CC1CC1 34a_100000210729_200025704644 [0,1,0,1,0,0|2,0,0]=4 11830 B9R1.75 CCNC(=O)CC1CC1 11a_100015525214_100000738066 [0,1,0,1,0,0|0,0,0]=2 11831 B9R1.75 CCNC(=O)CC1CC1 240690a_100015525214_100000738066 [0,1,0,1,0,0|0,0,0]=2 11832 B9R1.75 CCNC(=O)CC1CC1 527a_100015525214_100000738066 [0,1,0,1,0,0|0,0,0]=2 11833 B9R1.75 CCNC(=O)NC1CC1 2708a_100000212008_100015525214 [0,1,0,1,0,0|1,0,0]=3 11834 B9R1.75 CCNC(=O)NC1CC1 2708a_100015525214_100000212008 [0,1,0,1,0,0|1,0,0]=3 11835 B9R1.75 CCNC(=O)NC1CC1 273464a_100000212008_100015525214 [0,1,0,1,0,0|1,0,0]=3 11836 B9R1.75 CCNC(=O)NC1CC1 273464a_100015525214_100000212008 [0,1,0,1,0,0|1,0,0]=3 11837 B9R1.75 CCNC(=O)NC1CC1 512a_100000212008_100015525214 [0,1,0,1,0,0|1,0,0]=3 11838 B9R1.75 CCNC(C)CC1CC1 270004a_100015525214_200000686933 [0,1,0,1,0,0|1,0,1]=4 11839 B9R1.75 CN(CCF)CC1CC1 2230a_100000741881_100011217306 [0,1,0,1,0,0|2,0,0]=4 11840 B9R1.75 CN(CCF)CC1CC1 269982a_100000741881_100011217306 [0,1,0,1,0,0|2,0,0]=4 11841 B9R1.75 CN(CCO)CC1CC1 2230a_100000210263_100000742324 [0,1,0,1,0,0|2,0,0]=4 11842 B9R1.75 CN(CCO)CC1CC1 2230a_100000741881_100000211926 [0,1,0,1,0,0|2,0,0]=4 11843 B9R1.75 CN(CCO)CC1CC1 269982a_100000210263_100000756562 [0,1,0,1,0,0|2,0,0]=4 11844 B9R1.75 CN(CCO)CC1CC1 269982a_100000741881_100000211926 [0,1,0,1,0,0|2,0,0]=4 11845 B9R1.75 CNCC(=O)NC1CC1 2230a_100000702991_200000210301 [0,1,0,1,0,0|1,0,0]=3 11846 B9R1.75 CNCC(=O)NC1CC1 2230a_106832991635_100000182950 [0,1,0,1,0,0|1,0,0]=3 11847 B9R1.75 CNCC(=O)NC1CC1 34a_100102657272_100000182950 [0,1,0,1,0,0|1,0,0]=3 11848 B9R1.75 CNCC(=O)NC1CC1 7a_106832991635_100000182950 [0,1,0,1,0,0|1,0,0]=3 11849 B9R1.75 CNNC(=O)CC1CC1 22a_100016993582_100000738066 [0,1,0,1,0,0|1,0,0]=3 11850 B9R1.75 CNNC(=O)NC1CC1 273464a_100000212008_100016993582 [0,1,0,1,0,0|2,0,0]=4 11851 B9R1.75 CNNC(=O)NC1CC1 512a_100000212008_100016993582 [0,1,0,1,0,0|2,0,0]=4 11852 B9R1.75 COCC(=O)CC1CC1 1458a_100000210968_100000742324 [0,1,0,1,0,0|0,0,0]=2 11853 B9R1.75 COCC(=O)CC1CO1 1458a_100000210968_100011216344 [0,1,0,1,0,0|1,0,0]=3 11854 B9R1.75 COCC(=O)CC1CS1 1458a_100000210968_100000031435 [0,1,0,1,0,0|1,0,0]=3 11855 B9R1.75 COCC(=O)C[C@@H]1CO1 1458a_100000210968_100000745022 [0,1,0,1,0,0|1,0,0]=3 11856 B9R1.75 COCC(=O)NC1CC1 1626a_100000212008_100000210968 [0,1,0,1,0,0|1,0,0]=3 11857 B9R1.75 COCC(=O)NC1CC1 240690a_100000212008_100000210968 [0,1,0,1,0,0|1,0,0]=3 11858 B9R1.75 COCC(=O)NC1CC1 34a_100138415774_100000182950 [0,1,0,1,0,0|1,0,0]=3 11859 B9R1.75 COCC(=O)NC1CC1 527a_100000212008_100000210968 [0,1,0,1,0,0|1,0,0]=3 11860 B9R1.75 COCN(C)CC1CC1 2230a_100000741881_100000766300 [0,1,0,1,0,0|2,0,0]=4 11861 B9R1.75 COCN(C)CC1CC1 269982a_100000741881_100000766300 [0,1,0,1,0,0|2,0,0]=4 11862 B9R1.75 CSCC(=O)CC1CC1 1458a_100000184570_100000742324 [0,1,0,1,0,0|0,0,0]=2 11863 B9R1.75 CSCC(=O)CC1CO1 1458a_100000184570_100011216344 [0,1,0,1,0,0|1,0,0]=3 11864 B9R1.75 CSCC(=O)CC1CS1 1458a_100000184570_100000031435 [0,1,0,1,0,0|1,0,0]=3 11865 B9R1.75 CSCC(=O)C[C@@H]1CO1 1458a_100000184570_100000745022 [0,1,0,1,0,0|1,0,0]=3 11866 B9R1.75 CSCC(=O)NC1CC1 1626a_100000212008_100000184570 [0,1,0,1,0,0|1,0,0]=3 11867 B9R1.75 CSCC(=O)NC1CC1 240690a_100000212008_100000184570 [0,1,0,1,0,0|1,0,0]=3 11868 B9R1.75 CSCC(=O)NC1CC1 527a_100000212008_100000184570 [0,1,0,1,0,0|1,0,0]=3 11869 B9R1.75 CSCC(=O)NC1CC1 62a_100000182950_200000210301 [0,1,0,1,0,0|1,0,0]=3 11870 B9R1.75 CSCC(=O)NC1CC1 62a_200000210301_100000182950 [0,1,0,1,0,0|1,0,0]=3 11871 B9R1.75 CSCN(C)CC1CC1 2230a_100000741881_100011218213 [0,1,0,1,0,0|2,0,0]=4 11872 B9R1.75 CSCN(C)CC1CC1 269982a_100000741881_100011218213 [0,1,0,1,0,0|2,0,0]=4 11873 B9R1.75 N#CCC(=O)CC1CC1 1458a_100000738066_100011214920 [0,1,0,1,0,0|0,0,1]=3 11874 B9R1.75 N#CCC(=O)CC1CC1 1458a_100051588842_100000742324 [0,1,0,1,0,0|0,0,1]=3 11875 B9R1.75 N#CCC(=O)CC1CO1 1458a_100051588842_100011216344 [0,1,0,1,0,0|1,0,1]=4 11876 B9R1.75 N#CCC(=O)CC1CS1 1458a_100051588842_100000031435 [0,1,0,1,0,0|1,0,1]=4 11877 B9R1.75 N#CCC(=O)C[C@@H]1CO1 1458a_100051588842_100000745022 [0,1,0,1,0,0|1,0,1]=4 11878 B9R1.75 N#CCC(=O)NC1CC1 1626a_100000212008_100051588842 [0,1,0,1,0,0|1,0,1]=4 11879 B9R1.75 N#CCC(=O)NC1CC1 240690a_100000212008_100051588842 [0,1,0,1,0,0|1,0,1]=4 11880 B9R1.75 O=C(C=CBr)CC1CC1 1458a_100016273825_100000742324 [0,1,0,1,0,0|0,0,2]=4 11881 B9R1.75 O=C(C=CCl)CC1CC1 1458a_200016279998_100000742324 [0,1,0,1,0,0|0,0,2]=4 11882 B9R1.75 O=C(C=CI)CC1CC1 1458a_100016256311_100000742324 [0,1,0,1,0,0|0,0,2]=4 11883 B9R1.75 O=C(CCF)CC1CC1 1458a_100000738066_100011217306 [0,1,0,1,0,0|0,0,0]=2 11884 B9R1.75 O=C(CCO)CC1CC1 1458a_100000738066_100000211926 [0,1,0,1,0,0|0,0,0]=2 11885 B9R1.75 O=C(CCO)CC1CC1 1458a_100011216618_100000742324 [0,1,0,1,0,0|0,0,0]=2 11886 B9R1.75 O=C(CCO)CC1CO1 1458a_100011216618_100011216344 [0,1,0,1,0,0|1,0,0]=3 11887 B9R1.75 O=C(CCO)CC1CS1 1458a_100011216618_100000031435 [0,1,0,1,0,0|1,0,0]=3 11888 B9R1.75 O=C(CCO)C[C@@H]1CO1 1458a_100011216618_100000745022 [0,1,0,1,0,0|1,0,0]=3 11889 B9R1.75 O=C(CCO)NC1CC1 240690a_100000212008_100011216618 [0,1,0,1,0,0|1,0,0]=3 11890 B9R1.75 [13CH3]NCC(=O)NC1CC1 2230a_100000702991_200025704644 [0,1,0,1,0,0|1,0,0]=3 11891 B9R1.75 [13CH3]SCC(=O)NC1CC1 62a_100000182950_200025704644 [0,1,0,1,0,0|1,0,0]=3 11892 B9R1.75 [13CH3]SCC(=O)NC1CC1 62a_200025704644_100000182950 [0,1,0,1,0,0|1,0,0]=3 11893 B9R1.100 C#CCCC(=O)C1CC1 1458a_100000210395_100000753159 [0,1,0,1,0,0|0,0,2]=4 11894 B9R1.100 C#CCCC(=O)C1CO1 1458a_100000701028_100000753159 [0,1,0,1,0,0|0,0,2]=4 11895 B9R1.100 C/C=C/CC(=O)C1CC1 1458a_100000210395_100102629194 [0,1,0,1,0,0|0,0,2]=4 11896 B9R1.100 C/C=C/CC(=O)C1CO1 1458a_100000701028_100102629194 [0,1,0,1,0,0|0,0,2]=4 11897 B9R1.100 C=CCCC(=O)C1CC1 1458a_100000210395_100000754431 [0,1,0,1,0,0|0,0,2]=4 11898 B9R1.100 C=CCCC(=O)C1CO1 1458a_100000701028_100000754431 [0,1,0,1,0,0|0,0,2]=4 11899 B9R1.100 CC#CCC(=O)C1CC1 1458a_100000210395_100000748600 [0,1,0,1,0,0|0,0,2]=4 11900 B9R1.100 CC#CCC(=O)C1CO1 1458a_100000701028_100000748600 [0,1,0,1,0,0|0,0,2]=4 11901 B9R1.100 CC=CCC(=O)C1CC1 1458a_100000210395_100000070051 [0,1,0,1,0,0|0,0,2]=4 11902 B9R1.100 CC=CCC(=O)C1CO1 1458a_100000701028_100000070051 [0,1,0,1,0,0|0,0,2]=4 11903 B9R1.100 CCCCC(=O)C1CC1 1458a_100000210395_100000210211 [0,1,0,1,0,0|0,0,0]=2 11904 B9R1.100 CCCCC(=O)C1CO1 1458a_100000701028_100000210211 [0,1,0,1,0,0|0,0,0]=2 11905 B9R1.100 CCCCN(C)C1CC1 2230a_100000226674_100000210211 [0,1,0,1,0,0|2,0,0]=4 11906 B9R1.100 CCCCN(C)C1CC1 269982a_100000207549_100000211595 [0,1,0,1,0,0|2,0,0]=4 11907 B9R1.100 CCCCN(C)C1CC1 269982a_100000226674_100000210211 [0,1,0,1,0,0|2,0,0]=4 11908 B9R1.100 CCCNC(=O)C1CC1 11a_100020643023_100000210395 [0,1,0,1,0,0|1,0,0]=3 11909 B9R1.100 CCCNC(=O)C1CC1 1626a_100020643023_100000210395 [0,1,0,1,0,0|1,0,0]=3 11910 B9R1.100 CCCNC(=O)C1CC1 240690a_100020643023_100000210395 [0,1,0,1,0,0|1,0,0]=3 11911 B9R1.100 CCCNC(=O)C1CC1 527a_100020643023_100000210395 [0,1,0,1,0,0|1,0,0]=3 11912 B9R1.100 CCCNC(=O)C1CO1 11a_100020643023_100000701028 [0,1,0,1,0,0|1,0,0]=3 11913 B9R1.100 CCCNC(=O)C1CO1 1626a_100020643023_100000701028 [0,1,0,1,0,0|1,0,0]=3 11914 B9R1.100 CCCNC(=O)C1CO1 240690a_100020643023_100000701028 [0,1,0,1,0,0|1,0,0]=3 11915 B9R1.100 CCCNC(=O)C1CO1 527a_100020643023_100000701028 [0,1,0,1,0,0|1,0,0]=3 11916 B9R1.100 CCNCC(=O)C1CC1 2230a_100015525214_100000746382 [0,1,0,1,0,0|1,0,0]=3 11917 B9R1.100 CCNNC(=O)C1CC1 22a_100000756455_100000210395 [0,1,0,1,0,0|2,0,0]=4 11918 B9R1.100 CCNNC(=O)C1CO1 22a_100000756455_100000701028 [0,1,0,1,0,0|2,0,0]=4 11919 B9R1.100 CCOCC(=O)C1CC1 34a_100000686663_100000210202 [0,1,0,1,0,0|1,0,0]=3 11920 B9R1.100 CCOCC(=O)C1CC1 34a_100121572206_100000746382 [0,1,0,1,0,0|1,0,0]=3 11921 B9R1.100 CCSCC(=O)C1CC1 62a_100000210202_100000746382 [0,1,0,1,0,0|1,0,0]=3 11922 B9R1.100 CCSCC(=O)C1CC1 62a_100000746382_100000210202 [0,1,0,1,0,0|1,0,0]=3 11923 B9R1.100 CNCOC(=O)C1CC1 2230a_106832991635_100000140896 [0,1,0,1,0,0|2,0,0]=4 11924 B9R1.100 CNCOC(=O)C1CC1 34a_100102657272_100000140896 [0,1,0,1,0,0|2,0,0]=4 11925 B9R1.100 COCCC(=O)C1CC1 1458a_100000210395_100000233755 [0,1,0,1,0,0|1,0,0]=3 11926 B9R1.100 COCCC(=O)C1CO1 1458a_100000701028_100000233755 [0,1,0,1,0,0|1,0,0]=3 11927 B9R1.100 COCOC(=O)C1CC1 34a_100138415774_100000140896 [0,1,0,1,0,0|2,0,0]=4 11928 B9R1.100 CSCCC(=O)C1CC1 1458a_100000210395_100000751147 [0,1,0,1,0,0|1,0,0]=3 11929 B9R1.100 CSCCC(=O)C1CO1 1458a_100000701028_100000751147 [0,1,0,1,0,0|1,0,0]=3 11930 B9R1.100 CSCOC(=O)C1CC1 62a_100000140896_200000210301 [0,1,0,1,0,0|2,0,0]=4 11931 B9R1.100 CSCOC(=O)C1CC1 62a_200000210301_100000140896 [0,1,0,1,0,0|2,0,0]=4 11932 B9R1.100 N#CCCC(=O)C1CC1 1458a_100000210395_100011215226 [0,1,0,1,0,0|1,0,1]=4 11933 B9R1.100 N#CCCC(=O)C1CO1 1458a_100000701028_100011215226 [0,1,0,1,0,0|1,0,1]=4 11934 B9R1.100 O=C(CCCF)C1CC1 1458a_100000210395_100011934791 [0,1,0,1,0,0|1,0,0]=3 11935 B9R1.100 O=C(CCCF)C1CO1 1458a_100000701028_100011934791 [0,1,0,1,0,0|1,0,0]=3 11936 B9R1.100 O=C(CCCO)C1CC1 1458a_100000210395_100011215043 [0,1,0,1,0,0|1,0,0]=3 11937 B9R1.100 O=C(CCCO)C1CO1 1458a_100000701028_100011215043 [0,1,0,1,0,0|1,0,0]=3 11938 B9R1.100 O=C(COCF)C1CC1 34a_100000686663_100015361967 [0,1,0,1,0,0|2,0,0]=4 11939 B9R1.100 O=C(CSCF)C1CC1 62a_100000746382_100015361967 [0,1,0,1,0,0|2,0,0]=4 11940 B9R1.100 O=C(CSCF)C1CC1 62a_100015361967_100000746382 [0,1,0,1,0,0|2,0,0]=4 11941 B9R1.100 O=C(NCCF)C1CC1 11a_100000724931_100000210395 [0,1,0,1,0,0|2,0,0]=4 11942 B9R1.100 O=C(NCCF)C1CC1 1626a_100000724931_100000210395 [0,1,0,1,0,0|2,0,0]=4 11943 B9R1.100 O=C(NCCF)C1CC1 240690a_100000724931_100000210395 [0,1,0,1,0,0|2,0,0]=4 11944 B9R1.100 O=C(NCCF)C1CC1 527a_100000724931_100000210395 [0,1,0,1,0,0|2,0,0]=4 11945 B9R1.100 O=C(NCCF)C1CO1 11a_100000724931_100000701028 [0,1,0,1,0,0|2,0,0]=4 11946 B9R1.100 O=C(NCCF)C1CO1 1626a_100000724931_100000701028 [0,1,0,1,0,0|2,0,0]=4 11947 B9R1.100 O=C(NCCF)C1CO1 240690a_100000724931_100000701028 [0,1,0,1,0,0|2,0,0]=4 11948 B9R1.100 O=C(NCCF)C1CO1 527a_100000724931_100000701028 [0,1,0,1,0,0|2,0,0]=4 11949 B9R1.100 O=C(NCCO)C1CC1 240690a_100000210304_100000210395 [0,1,0,1,0,0|2,0,0]=4 11950 B9R1.100 O=C(NCCO)C1CC1 527a_100000210304_100000210395 [0,1,0,1,0,0|2,0,0]=4 11951 B9R1.100 O=C(NCCO)C1CO1 240690a_100000210304_100000701028 [0,1,0,1,0,0|2,0,0]=4 11952 B9R1.100 O=C(NCCO)C1CO1 527a_100000210304_100000701028 [0,1,0,1,0,0|2,0,0]=4 11953 B9R1.100 [13CH3]SCOC(=O)C1CC1 62a_100000140896_200025704644 [0,1,0,1,0,0|2,0,0]=4 11954 B9R1.100 [13CH3]SCOC(=O)C1CC1 62a_200025704644_100000140896 [0,1,0,1,0,0|2,0,0]=4 11955 B9R1.134 CCOC1(CCCC1)C 34a_100000751722_100000210202 [0,1,0,1,0,0|1,0,1]=4 11956 B9R1.134 CCOC1(CCCC1)C 7a_100000751722_100000210202 [0,1,0,1,0,0|1,0,1]=4 11957 B9R1.134 CNCC1(CCCC1)O 2230a_100000737848_200000210301 [0,1,0,1,0,0|0,0,2]=4 11958 B9R1.134 COCC1(CCCC1)N 34a_100000749328_200000210301 [0,1,0,1,0,0|1,0,1]=4 11959 B9R1.134 [13CH3]NCC1(CCCC1)O 2230a_100000737848_200025704644 [0,1,0,1,0,0|0,0,2]=4 11960 B9R1.134 [13CH3]OCC1(CCCC1)N 34a_100000749328_200025704644 [0,1,0,1,0,0|1,0,1]=4 11961 B9R1.183 C#CCC(=O)C1CC1C 1458a_100000211227_100000184674 [0,1,0,1,0,0|0,0,1]=3 11962 B9R1.183 C#CCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000184674 [0,1,0,1,0,0|1,0,1]=4 11963 B9R1.183 C=CCC(=O)C1CC1C 1458a_100000211227_100000210623 [0,1,0,1,0,0|0,0,1]=3 11964 B9R1.183 C=CCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210623 [0,1,0,1,0,0|1,0,1]=4 11965 B9R1.183 CC1CC1C(=O)CC#N 1458a_100000211227_100011214920 [0,1,0,1,0,0|0,0,1]=3 11966 B9R1.183 CC1CC1C(=O)CCF 1458a_100000211227_100011217306 [0,1,0,1,0,0|0,0,0]=2 11967 B9R1.183 CC1CC1C(=O)CCO 1458a_100000211227_100000211926 [0,1,0,1,0,0|0,0,0]=2 11968 B9R1.183 CCCC(=O)C1CC1C 1458a_100000211227_100000210303 [0,1,0,1,0,0|0,0,0]=2 11969 B9R1.183 CCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210303 [0,1,0,1,0,0|1,0,0]=3 11970 B9R1.183 CCNC(=O)C1CC1C 11a_100015525214_100000211227 [0,1,0,1,0,0|0,0,0]=2 11971 B9R1.183 CCNC(=O)C1CC1C 527a_100015525214_100000211227 [0,1,0,1,0,0|0,0,0]=2 11972 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 11a_100015525214_100015396687 [0,1,0,1,0,0|1,0,0]=3 11973 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 240690a_100015525214_100015396687 [0,1,0,1,0,0|1,0,0]=3 11974 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 527a_100015525214_100015396687 [0,1,0,1,0,0|1,0,0]=3 11975 B9R1.183 CNNC(=O)C1CC1C 22a_100016993582_100000211227 [0,1,0,1,0,0|1,0,0]=3 11976 B9R1.183 CNNC(=O)[C@@H]1C[C@@H]1F 22a_100016993582_100015396687 [0,1,0,1,0,0|2,0,0]=4 11977 B9R1.183 N#CCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100011214920 [0,1,0,1,0,0|1,0,1]=4 11978 B9R1.183 O=C(CCF)[C@@H]1C[C@@H]1F 1458a_100015396687_100011217306 [0,1,0,1,0,0|1,0,0]=3 11979 B9R1.183 O=C(CCO)[C@@H]1C[C@@H]1F 1458a_100015396687_100000211926 [0,1,0,1,0,0|1,0,0]=3 11980 B9R1.3 CC1C(=O)NCCN1C 2230a_100000750721_200000210301 [0,1,0,1,0,0|1,0,0]=3 11981 B9R1.3 CC1C(=O)NCCN1C 269982a_100000750721_200000210301 [0,1,0,1,0,0|1,0,0]=3 11982 B9R1.3 CC1C(=O)NCCN1C 34a_100000750721_200000210301 [0,1,0,1,0,0|1,0,0]=3 11983 B9R1.3 CC1C(=O)NCCN1[13CH3] 2230a_100000750721_200025704644 [0,1,0,1,0,0|1,0,0]=3 11984 B9R1.3 CC1C(=O)NCCN1[13CH3] 269982a_100000750721_200025704644 [0,1,0,1,0,0|1,0,0]=3 11985 B9R1.3 CC1C(=O)NCCN1[13CH3] 34a_100000750721_200025704644 [0,1,0,1,0,0|1,0,0]=3 11986 B9R1.3 CC1CCCC(N1C)C 2230a_100000210447_200000210301 [0,1,0,1,0,0|2,0,0]=4 11987 B9R1.3 CC1CCCC(N1C)C 269982a_100000210447_200000210301 [0,1,0,1,0,0|2,0,0]=4 11988 B9R1.3 CC1CCCC(N1C)C 34a_100000210447_200000210301 [0,1,0,1,0,0|2,0,0]=4 11989 B9R1.3 CC1CCCC(N1[13CH3])C 2230a_100000210447_200025704644 [0,1,0,1,0,0|2,0,0]=4 11990 B9R1.3 CC1CCCC(N1[13CH3])C 269982a_100000210447_200025704644 [0,1,0,1,0,0|2,0,0]=4 11991 B9R1.3 CC1CCCC(N1[13CH3])C 34a_100000210447_200025704644 [0,1,0,1,0,0|2,0,0]=4 11992 B9R1.11 C#CC(=O)C1CCCC1 1458a_100000211873_100000179811 [0,1,0,1,0,0|0,0,2]=4 11993 B9R1.11 C#CC(=O)C1CCOC1 1458a_100000211873_100000690089 [0,1,0,1,0,0|0,0,2]=4 11994 B9R1.11 C=CC(=O)C1CCCC1 1458a_100000185746_100000179811 [0,1,0,1,0,0|0,0,2]=4 11995 B9R1.11 C=CC(=O)C1CCOC1 1458a_100000185746_100000690089 [0,1,0,1,0,0|0,0,2]=4 11996 B9R1.11 C=CC(=O)N1CCCC1 240690a_100000188435_200121576911 [0,1,0,1,0,0|0,0,2]=4 11997 B9R1.11 CCC(=O)C1=CCCC1 1458a_100000038896_100000210202 [0,1,0,1,0,0|0,0,1]=3 11998 B9R1.11 CCC(=O)C1=CCOC1 1458a_100000139269_100000210202 [0,1,0,1,0,0|0,0,2]=4 11999 B9R1.11 CCC(=O)C1=COCC1 1458a_100000750620_100000210202 [0,1,0,1,0,0|0,0,2]=4 12000 B9R1.11 CCC(=O)C1CC=CC1 1458a_100000759439_100000210202 [0,1,0,1,0,0|0,0,1]=3 12001 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210414_100000179811 [0,1,0,1,0,0|0,0,0]=2 12002 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210718_100000210202 [0,1,0,1,0,0|0,0,0]=2 12003 B9R1.11 CCC(=O)C1CCCS1 1458a_100012002731_100000210202 [0,1,0,1,0,0|0,0,0]=2 12004 B9R1.11 CCC(=O)C1CCOC1 1458a_100000210414_100000690089 [0,1,0,1,0,0|0,0,0]=2 12005 B9R1.11 CCC(=O)C1CCOC1 1458a_100011219752_100000210202 [0,1,0,1,0,0|0,0,0]=2 12006 B9R1.11 CCC(=O)N1CC=CC1 1626a_100015195280_100000210414 [0,1,0,1,0,0|0,0,2]=4 12007 B9R1.11 CCC(=O)N1CC=CC1 240690a_100015195280_100000210414 [0,1,0,1,0,0|0,0,2]=4 12008 B9R1.11 CCC(=O)N1CCCC1 240690a_100000188435_100000210414 [0,1,0,1,0,0|0,0,0]=2 12009 B9R1.11 CCC(=O)N1CCCC1 527a_100000188435_100000210414 [0,1,0,1,0,0|0,0,0]=2 12010 B9R1.11 CCC(=O)N1CCSC1 11a_100011215254_100000210414 [0,1,0,1,0,0|1,0,0]=3 12011 B9R1.11 CCC(=O)N1CCSC1 240690a_100011215254_100000210414 [0,1,0,1,0,0|1,0,0]=3 12012 B9R1.11 CCC(=O)N1CCSC1 527a_100011215254_100000210414 [0,1,0,1,0,0|1,0,0]=3 12013 B9R1.11 CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210202 [0,1,0,1,0,0|0,0,0]=2 12014 B9R1.11 CCC(C)N1CCCC1 2230a_100000188435_100000758301 [0,1,0,1,0,0|1,0,1]=4 12015 B9R1.11 CCC(C)N1CCCC1 269982a_100000188435_100000758301 [0,1,0,1,0,0|1,0,1]=4 12016 B9R1.11 CCN(C)C1CCCC1 2230a_100000207505_100000210202 [0,1,0,1,0,0|2,0,0]=4 12017 B9R1.11 CCN(C)C1CCCC1 2230a_100000225621_100000179811 [0,1,0,1,0,0|2,0,0]=4 12018 B9R1.11 CCN(C)C1CCCC1 269982a_100000207505_100000204670 [0,1,0,1,0,0|2,0,0]=4 12019 B9R1.11 CCN(C)C1CCCC1 269982a_100000225621_100000179811 [0,1,0,1,0,0|2,0,0]=4 12020 B9R1.11 CCN(C)C1CCCC1 34a_100000207505_100000210202 [0,1,0,1,0,0|2,0,0]=4 12021 B9R1.11 CCN(C)C1CCOC1 2230a_100000225621_100000731011 [0,1,0,1,0,0|2,0,0]=4 12022 B9R1.11 CCN(C)C1CCOC1 2230a_100016988252_100000210202 [0,1,0,1,0,0|2,0,0]=4 12023 B9R1.11 CCN(C)C1CCOC1 269982a_100000225621_100000731011 [0,1,0,1,0,0|2,0,0]=4 12024 B9R1.11 CCN(C)C1CCOC1 269982a_100016988252_100000204670 [0,1,0,1,0,0|2,0,0]=4 12025 B9R1.11 CCN(C)C1CCOC1 34a_100016988252_100000210202 [0,1,0,1,0,0|2,0,0]=4 12026 B9R1.11 CNC(=O)C1=CCCC1 11a_106832991635_100000038896 [0,1,0,1,0,0|1,0,1]=4 12027 B9R1.11 CNC(=O)C1=CCCC1 1626a_100102657272_100000038896 [0,1,0,1,0,0|1,0,1]=4 12028 B9R1.11 CNC(=O)C1=CCCC1 240690a_100102657272_100000038896 [0,1,0,1,0,0|1,0,1]=4 12029 B9R1.11 CNC(=O)C1CC=CC1 11a_106832991635_100000759439 [0,1,0,1,0,0|1,0,1]=4 12030 B9R1.11 CNC(=O)C1CC=CC1 1626a_100102657272_100000759439 [0,1,0,1,0,0|1,0,1]=4 12031 B9R1.11 CNC(=O)C1CC=CC1 240690a_100102657272_100000759439 [0,1,0,1,0,0|1,0,1]=4 12032 B9R1.11 CNC(=O)C1CC=CC1 527a_100102657272_100000759439 [0,1,0,1,0,0|1,0,1]=4 12033 B9R1.11 CNC(=O)C1CCCC1 11a_106832991635_100000210718 [0,1,0,1,0,0|1,0,0]=3 12034 B9R1.11 CNC(=O)C1CCCC1 1626a_100102657272_100000210718 [0,1,0,1,0,0|1,0,0]=3 12035 B9R1.11 CNC(=O)C1CCCC1 240690a_100102657272_100000210718 [0,1,0,1,0,0|1,0,0]=3 12036 B9R1.11 CNC(=O)C1CCCC1 527a_100102657272_100000210718 [0,1,0,1,0,0|1,0,0]=3 12037 B9R1.11 CNC(=O)C1CCCS1 11a_106832991635_100012002731 [0,1,0,1,0,0|1,0,0]=3 12038 B9R1.11 CNC(=O)C1CCCS1 1626a_100102657272_100012002731 [0,1,0,1,0,0|1,0,0]=3 12039 B9R1.11 CNC(=O)C1CCCS1 240690a_100102657272_100012002731 [0,1,0,1,0,0|1,0,0]=3 12040 B9R1.11 CNC(=O)C1CCCS1 527a_100102657272_100012002731 [0,1,0,1,0,0|1,0,0]=3 12041 B9R1.11 CNC(=O)C1CCOC1 11a_106832991635_100011219752 [0,1,0,1,0,0|1,0,0]=3 12042 B9R1.11 CNC(=O)C1CCOC1 1626a_100102657272_100011219752 [0,1,0,1,0,0|1,0,0]=3 12043 B9R1.11 CNC(=O)C1CCOC1 240690a_100102657272_100011219752 [0,1,0,1,0,0|1,0,0]=3 12044 B9R1.11 CNC(=O)C1CCOC1 527a_100102657272_100011219752 [0,1,0,1,0,0|1,0,0]=3 12045 B9R1.11 CNC(=O)N1CCCC1 2708a_100102657272_100000188435 [0,1,0,1,0,0|1,0,0]=3 12046 B9R1.11 CNC(=O)N1CCCC1 273464a_100102657272_100000188435 [0,1,0,1,0,0|1,0,0]=3 12047 B9R1.11 CNC(=O)N1CCSC1 2708a_100102657272_100011215254 [0,1,0,1,0,0|2,0,0]=4 12048 B9R1.11 CNC(=O)N1CCSC1 273464a_100102657272_100011215254 [0,1,0,1,0,0|2,0,0]=4 12049 B9R1.11 CNC(=O)[C@@H]1CCCO1 11a_106832991635_100000686382 [0,1,0,1,0,0|1,0,0]=3 12050 B9R1.11 CNC(=O)[C@@H]1CCCO1 1626a_100102657272_100000686382 [0,1,0,1,0,0|1,0,0]=3 12051 B9R1.11 CNC(=O)[C@@H]1CCCO1 240690a_100102657272_100000686382 [0,1,0,1,0,0|1,0,0]=3 12052 B9R1.11 CNC(=O)[C@@H]1CCCO1 527a_100102657272_100000686382 [0,1,0,1,0,0|1,0,0]=3 12053 B9R1.11 O=C(CF)C1=CCCC1 1458a_100000038896_100015361967 [0,1,0,1,0,0|1,0,1]=4 12054 B9R1.11 O=C(CF)C1CC=CC1 1458a_100000759439_100015361967 [0,1,0,1,0,0|1,0,1]=4 12055 B9R1.11 O=C(CF)C1CCCC1 1458a_100000210718_100015361967 [0,1,0,1,0,0|1,0,0]=3 12056 B9R1.11 O=C(CF)C1CCCS1 1458a_100012002731_100015361967 [0,1,0,1,0,0|1,0,0]=3 12057 B9R1.11 O=C(CF)C1CCOC1 1458a_100011219752_100015361967 [0,1,0,1,0,0|1,0,0]=3 12058 B9R1.11 O=C(CF)[C@@H]1CCCO1 1458a_100000686382_100015361967 [0,1,0,1,0,0|1,0,0]=3 12059 B9R1.11 O=C(CO)C1CCCC1 1458a_100000210174_100000179811 [0,1,0,1,0,0|1,0,0]=3 12060 B9R1.11 O=C(CO)C1CCOC1 1458a_100000210174_100000690089 [0,1,0,1,0,0|1,0,0]=3 12061 B9R1.11 O=C(CO)N1CCCC1 240690a_100000188435_100000210174 [0,1,0,1,0,0|1,0,0]=3 12062 B9R1.11 O=C(CO)N1CCCC1 527a_100000188435_100000210174 [0,1,0,1,0,0|1,0,0]=3 12063 B9R1.11 O=C(CO)N1CCSC1 240690a_100011215254_100000210174 [0,1,0,1,0,0|2,0,0]=4 12064 B9R1.11 O=C(CO)N1CCSC1 527a_100011215254_100000210174 [0,1,0,1,0,0|2,0,0]=4 12065 B9R1.82 C=C1CC(C1)C(=O)CC 1458a_100000065620_100000210202 [0,1,0,1,0,0|0,0,1]=3 12066 B9R1.82 C=C1CC(C1)C(=O)CF 1458a_100000065620_100015361967 [0,1,0,1,0,0|1,0,1]=4 12067 B9R1.82 C=C1CC(C1)C(=O)NC 11a_106832991635_100000065620 [0,1,0,1,0,0|1,0,1]=4 12068 B9R1.82 C=C1CC(C1)C(=O)NC 1626a_100102657272_100000065620 [0,1,0,1,0,0|1,0,1]=4 12069 B9R1.82 C=C1CC(C1)C(=O)NC 240690a_100102657272_100000065620 [0,1,0,1,0,0|1,0,1]=4 12070 B9R1.82 C=C1CC(C1)C(=O)NC 527a_100102657272_100000065620 [0,1,0,1,0,0|1,0,1]=4 12071 B9R1.82 CC1CC(C1)C(=O)CF 1458a_100000686124_100015361967 [0,1,0,1,0,0|1,0,0]=3 12072 B9R1.82 CC1CN(C1)C(=O)CO 240690a_100000702820_100000210174 [0,1,0,1,0,0|2,0,0]=4 12073 B9R1.82 CC1CN(C1)C(=O)CO 527a_100000702820_100000210174 [0,1,0,1,0,0|2,0,0]=4 12074 B9R1.82 CCC(=O)C1CC(C1)C 1458a_100000686124_100000210202 [0,1,0,1,0,0|0,0,0]=2 12075 B9R1.82 CCC(=O)C1CC(C1)F 1458a_100000062598_100000210202 [0,1,0,1,0,0|0,0,0]=2 12076 B9R1.82 CCC(=O)C1CN(C1)C 1458a_100012002723_100000210202 [0,1,0,1,0,0|1,0,0]=3 12077 B9R1.82 CCC(=O)N1CC(C1)C 11a_100000702820_100000210414 [0,1,0,1,0,0|1,0,0]=3 12078 B9R1.82 CCC(=O)N1CC(C1)C 240690a_100000702820_100000210414 [0,1,0,1,0,0|1,0,0]=3 12079 B9R1.82 CCC(=O)N1CC(C1)C 527a_100000702820_100000210414 [0,1,0,1,0,0|1,0,0]=3 12080 B9R1.82 CCC(=O)N1CC(C1)F 11a_100000690557_100000210414 [0,1,0,1,0,0|1,0,0]=3 12081 B9R1.82 CCC(=O)N1CC(C1)F 240690a_100000690557_100000210414 [0,1,0,1,0,0|1,0,0]=3 12082 B9R1.82 CCC(=O)N1CC(C1)F 527a_100000690557_100000210414 [0,1,0,1,0,0|1,0,0]=3 12083 B9R1.82 CCC(=O)N1CC(C1)O 11a_100000749847_100000210414 [0,1,0,1,0,0|1,0,0]=3 12084 B9R1.82 CCC(=O)N1CC(C1)O 240690a_100000749847_100000210414 [0,1,0,1,0,0|1,0,0]=3 12085 B9R1.82 CCC(=O)N1CC(C1)O 527a_100000749847_100000210414 [0,1,0,1,0,0|1,0,0]=3 12086 B9R1.82 CCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210202 [0,1,0,1,0,0|1,0,1]=4 12087 B9R1.82 CCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210202 [0,1,0,1,0,0|0,0,0]=2 12088 B9R1.82 CN1CC(C1)C(=O)CF 1458a_100012002723_100015361967 [0,1,0,1,0,0|2,0,0]=4 12089 B9R1.82 CNC(=O)C1CC(C1)C 11a_106832991635_100000686124 [0,1,0,1,0,0|1,0,0]=3 12090 B9R1.82 CNC(=O)C1CC(C1)C 1626a_100102657272_100000686124 [0,1,0,1,0,0|1,0,0]=3 12091 B9R1.82 CNC(=O)C1CC(C1)C 240690a_100102657272_100000686124 [0,1,0,1,0,0|1,0,0]=3 12092 B9R1.82 CNC(=O)C1CC(C1)C 527a_100102657272_100000686124 [0,1,0,1,0,0|1,0,0]=3 12093 B9R1.82 CNC(=O)C1CC(C1)F 11a_106832991635_100000062598 [0,1,0,1,0,0|1,0,0]=3 12094 B9R1.82 CNC(=O)C1CC(C1)F 1626a_100102657272_100000062598 [0,1,0,1,0,0|1,0,0]=3 12095 B9R1.82 CNC(=O)C1CC(C1)F 240690a_100102657272_100000062598 [0,1,0,1,0,0|1,0,0]=3 12096 B9R1.82 CNC(=O)C1CC(C1)F 527a_100102657272_100000062598 [0,1,0,1,0,0|1,0,0]=3 12097 B9R1.82 CNC(=O)C1CN(C1)C 240690a_100102657272_100012002723 [0,1,0,1,0,0|2,0,0]=4 12098 B9R1.82 CNC(=O)C1CN(C1)C 34a_100000703363_200000210301 [0,1,0,1,0,0|2,0,0]=4 12099 B9R1.82 CNC(=O)C1CN(C1)[13CH3] 34a_100000703363_200025704644 [0,1,0,1,0,0|2,0,0]=4 12100 B9R1.82 CNC(=O)N1CC(C1)C 2708a_100102657272_100000702820 [0,1,0,1,0,0|2,0,0]=4 12101 B9R1.82 CNC(=O)N1CC(C1)C 273464a_100102657272_100000702820 [0,1,0,1,0,0|2,0,0]=4 12102 B9R1.82 CNC(=O)N1CC(C1)F 2708a_100102657272_100000690557 [0,1,0,1,0,0|2,0,0]=4 12103 B9R1.82 CNC(=O)N1CC(C1)F 273464a_100102657272_100000690557 [0,1,0,1,0,0|2,0,0]=4 12104 B9R1.82 CNC(=O)N1CC(C1)O 2708a_100102657272_100000749847 [0,1,0,1,0,0|2,0,0]=4 12105 B9R1.82 CNC(=O)N1CC(C1)O 273464a_100102657272_100000749847 [0,1,0,1,0,0|2,0,0]=4 12106 B9R1.82 CNC(=O)[C@H]1C[C@H](C1)O 240690a_100102657272_100015266633 [0,1,0,1,0,0|1,0,0]=3 12107 B9R1.82 CNC(=O)[C@H]1C[C@H](C1)O 527a_100102657272_100015266633 [0,1,0,1,0,0|1,0,0]=3 12108 B9R1.82 COC(=O)C1CN(C1)C 269982a_100015188540_200000210301 [0,1,0,1,0,0|2,0,0]=4 12109 B9R1.82 COC(=O)C1CN(C1)[13CH3] 269982a_100015188540_200025704644 [0,1,0,1,0,0|2,0,0]=4 12110 B9R1.82 O=C(CF)C1CC(C1)F 1458a_100000062598_100015361967 [0,1,0,1,0,0|1,0,0]=3 12111 B9R1.82 O=C(CF)[C@H]1C[C@H](C1)O 1458a_100015266633_100015361967 [0,1,0,1,0,0|1,0,0]=3 12112 B9R1.82 O=C(CO)N1CC(C1)F 240690a_100000690557_100000210174 [0,1,0,1,0,0|2,0,0]=4 12113 B9R1.82 O=C(CO)N1CC(C1)F 527a_100000690557_100000210174 [0,1,0,1,0,0|2,0,0]=4 12114 B9R1.82 O=C(CO)N1CC(C1)O 240690a_100000749847_100000210174 [0,1,0,1,0,0|2,0,0]=4 12115 B9R1.82 O=C(CO)N1CC(C1)O 527a_100000749847_100000210174 [0,1,0,1,0,0|2,0,0]=4 12116 B9R1.88 CCC(=O)C1CC1CC 1458a_200011661523_100000210202 [0,1,0,1,0,0|0,0,0]=2 12117 B9R1.88 CCC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_100000210202 [0,1,0,1,0,0|0,0,1]=3 12118 B9R1.88 CCC1CC1C(=O)CF 1458a_200011661523_100015361967 [0,1,0,1,0,0|1,0,0]=3 12119 B9R1.88 CCC1CC1C(=O)NC 11a_106832991635_200011661523 [0,1,0,1,0,0|1,0,0]=3 12120 B9R1.88 CCC1CC1C(=O)NC 1626a_100102657272_200011661523 [0,1,0,1,0,0|1,0,0]=3 12121 B9R1.88 CCC1CC1C(=O)NC 240690a_100102657272_200011661523 [0,1,0,1,0,0|1,0,0]=3 12122 B9R1.88 CCC1CC1C(=O)NC 527a_100102657272_200011661523 [0,1,0,1,0,0|1,0,0]=3 12123 B9R1.88 CCN1CC1C(=O)OC 2230a_200009830135_100000210202 [0,1,0,1,0,0|1,0,0]=3 12124 B9R1.88 CNC(=O)[C@@H]1C[C@H]1C#N 11a_106832991635_100015294237 [0,1,0,1,0,0|1,0,1]=4 12125 B9R1.88 CNC(=O)[C@@H]1C[C@H]1C#N 1626a_100102657272_100015294237 [0,1,0,1,0,0|1,0,1]=4 12126 B9R1.88 CNC(=O)[C@@H]1C[C@H]1C#N 240690a_100102657272_100015294237 [0,1,0,1,0,0|1,0,1]=4 12127 B9R1.88 N#C[C@@H]1C[C@H]1C(=O)CF 1458a_100015294237_100015361967 [0,1,0,1,0,0|1,0,1]=4 12128 B9R1.101 CCC(=O)N(C)C1CC1 11a_100000226674_100000210414 [0,1,0,1,0,0|1,0,0]=3 12129 B9R1.101 CCC(=O)N(C)C1CC1 1626a_100000226674_100000210414 [0,1,0,1,0,0|1,0,0]=3 12130 B9R1.101 CCC(=O)N(C)C1CC1 240690a_100000226674_100000210414 [0,1,0,1,0,0|1,0,0]=3 12131 B9R1.101 CCC(=O)N(C)C1CC1 527a_100000226674_100000210414 [0,1,0,1,0,0|1,0,0]=3 12132 B9R1.101 CCN(C)C(C)C1CC1 2230a_200000232609_200000210301 [0,1,0,1,0,0|2,0,0]=4 12133 B9R1.101 CCN(C)C(C)C1CC1 269982a_200000232609_200000210301 [0,1,0,1,0,0|2,0,0]=4 12134 B9R1.101 CCN([13CH3])C(C)C1CC1 2230a_200000232609_200025704644 [0,1,0,1,0,0|2,0,0]=4 12135 B9R1.101 CCN([13CH3])C(C)C1CC1 269982a_200000232609_200025704644 [0,1,0,1,0,0|2,0,0]=4 12136 B9R1.101 CN(C(=O)CO)C1CC1 240690a_100000226674_100000210174 [0,1,0,1,0,0|2,0,0]=4 12137 B9R1.101 CN(C(=O)CO)C1CC1 527a_100000226674_100000210174 [0,1,0,1,0,0|2,0,0]=4 12138 B9R1.101 CNC(=O)N(C)C1CC1 2708a_100102657272_100000226674 [0,1,0,1,0,0|2,0,0]=4 12139 B9R1.101 CNC(=O)N(C)C1CC1 273464a_100102657272_100000226674 [0,1,0,1,0,0|2,0,0]=4 12140 B9R1.135 CCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210303 [0,1,0,1,0,0|0,0,2]=4 12141 B9R1.135 CCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210303 [0,1,0,1,0,0|0,0,2]=4 12142 B9R1.186 CC1(CCC1)C(=O)CF 1458a_100000684636_100015361967 [0,1,0,1,0,0|1,0,0]=3 12143 B9R1.186 CC1(COC1)C(=O)CF 1458a_100000094709_100015361967 [0,1,0,1,0,0|2,0,0]=4 12144 B9R1.186 CCC(=O)C1(CCC1)C 1458a_100000684636_100000210202 [0,1,0,1,0,0|0,0,0]=2 12145 B9R1.186 CCC(=O)C1(CCC1)O 1458a_100000242746_100000210202 [0,1,0,1,0,0|0,0,0]=2 12146 B9R1.186 CCC(=O)C1(COC1)C 1458a_100000094709_100000210202 [0,1,0,1,0,0|1,0,0]=3 12147 B9R1.186 CCC(=O)C1(COC1)O 1458a_100010273515_100000210202 [0,1,0,1,0,0|1,0,0]=3 12148 B9R1.186 CNC(=O)C1(CCC1)C 11a_106832991635_100000684636 [0,1,0,1,0,0|1,0,0]=3 12149 B9R1.186 CNC(=O)C1(CCC1)C 1626a_100102657272_100000684636 [0,1,0,1,0,0|1,0,0]=3 12150 B9R1.186 CNC(=O)C1(CCC1)C 240690a_100102657272_100000684636 [0,1,0,1,0,0|1,0,0]=3 12151 B9R1.186 CNC(=O)C1(CCC1)C 527a_100102657272_100000684636 [0,1,0,1,0,0|1,0,0]=3 12152 B9R1.186 CNC(=O)C1(CCC1)O 240690a_100102657272_100000242746 [0,1,0,1,0,0|1,0,0]=3 12153 B9R1.186 CNC(=O)C1(COC1)C 11a_106832991635_100000094709 [0,1,0,1,0,0|2,0,0]=4 12154 B9R1.186 CNC(=O)C1(COC1)C 1626a_100102657272_100000094709 [0,1,0,1,0,0|2,0,0]=4 12155 B9R1.186 CNC(=O)C1(COC1)C 527a_100102657272_100000094709 [0,1,0,1,0,0|2,0,0]=4 12156 B9R1.186 CNC(=O)C1(COC1)O 240690a_100102657272_100010273515 [0,1,0,1,0,0|2,0,0]=4 12157 B9R1.186 O=C(CF)C1(CCC1)O 1458a_100000242746_100015361967 [0,1,0,1,0,0|1,0,0]=3 12158 B9R1.186 O=C(CF)C1(COC1)O 1458a_100010273515_100015361967 [0,1,0,1,0,0|2,0,0]=4 12159 B9R1.1 C=C1CCC(CC1)NC 270004a_106832991635_100010272673 [0,1,0,1,0,0|1,0,0]=3 12160 B9R1.1 C=C1CCN(CC1)CC 2230a_100000752442_100000210202 [0,1,0,1,0,0|1,0,0]=3 12161 B9R1.1 C=C1CCN(CC1)CC 269982a_100000752442_100000204670 [0,1,0,1,0,0|1,0,0]=3 12162 B9R1.1 C=C1CCN(CC1)CC 34a_100000752442_100000210202 [0,1,0,1,0,0|1,0,0]=3 12163 B9R1.1 C=C1CCN(CC1)CF 269982a_100000752442_100015361967 [0,1,0,1,0,0|2,0,0]=4 12164 B9R1.1 C=C1CCN(CC1)CF 34a_100000752442_100015361967 [0,1,0,1,0,0|2,0,0]=4 12165 B9R1.1 CC1CCC(CC1)O[13CH3] 34a_100000210714_200025704644 [0,1,0,1,0,0|0,0,2]=4 12166 B9R1.1 CC1CCC(CC1)O[13CH3] 7a_100000210714_200025704644 [0,1,0,1,0,0|0,0,2]=4 12167 B9R1.1 CC1CCC(CC1)S[13CH3] 62a_200025704644_200011216234 [0,1,0,1,0,0|0,1,1]=4 12168 B9R1.1 CC1CCN(CC1)CF 269982a_100000188429_100015361967 [0,1,0,1,0,0|2,0,0]=4 12169 B9R1.1 CC1CCN(CC1)CF 34a_100000188429_100015361967 [0,1,0,1,0,0|2,0,0]=4 12170 B9R1.1 CCC1CCN(CC1)C 2230a_100000754474_200000210301 [0,1,0,1,0,0|2,0,0]=4 12171 B9R1.1 CCC1CCN(CC1)C 269982a_100000754474_200000210301 [0,1,0,1,0,0|2,0,0]=4 12172 B9R1.1 CCC1CCN(CC1)C 34a_100000754474_200000210301 [0,1,0,1,0,0|2,0,0]=4 12173 B9R1.1 CCC1CCN(CC1)[13CH3] 2230a_100000754474_200025704644 [0,1,0,1,0,0|2,0,0]=4 12174 B9R1.1 CCC1CCN(CC1)[13CH3] 269982a_100000754474_200025704644 [0,1,0,1,0,0|2,0,0]=4 12175 B9R1.1 CCC1CCN(CC1)[13CH3] 34a_100000754474_200025704644 [0,1,0,1,0,0|2,0,0]=4 12176 B9R1.1 CCN1CC=C(CC1)C 2230a_100000693516_100000210202 [0,1,0,1,0,0|1,0,1]=4 12177 B9R1.1 CCN1CC=C(CC1)C 269982a_100000693516_100000204670 [0,1,0,1,0,0|1,0,1]=4 12178 B9R1.1 CCN1CC=C(CC1)C 34a_100000693516_100000210202 [0,1,0,1,0,0|1,0,1]=4 12179 B9R1.1 CCN1CCC(CC1)C 2230a_100000188429_100000210202 [0,1,0,1,0,0|1,0,1]=4 12180 B9R1.1 CCN1CCC(CC1)C 269982a_100000188429_100000204670 [0,1,0,1,0,0|1,0,1]=4 12181 B9R1.1 CCN1CCC(CC1)C 34a_100000188429_100000210202 [0,1,0,1,0,0|1,0,1]=4 12182 B9R1.1 CCN1CCC(CC1)F 2230a_100015193889_100000210202 [0,1,0,1,0,0|1,0,1]=4 12183 B9R1.1 CCN1CCC(CC1)F 269982a_100015193889_100000204670 [0,1,0,1,0,0|1,0,1]=4 12184 B9R1.1 CCN1CCC(CC1)F 34a_100015193889_100000210202 [0,1,0,1,0,0|1,0,1]=4 12185 B9R1.1 CCN1CCC(CC1)O 2230a_100025773856_100000210202 [0,1,0,1,0,0|0,0,2]=4 12186 B9R1.1 CCN1CCC(CC1)O 269982a_100025773856_100000204670 [0,1,0,1,0,0|0,0,2]=4 12187 B9R1.1 CCN1CCN(CC1)C 2230a_100000188432_100000210202 [0,1,0,1,0,0|2,0,0]=4 12188 B9R1.1 CCN1CCN(CC1)C 2230a_100000210033_200000210301 [0,1,0,1,0,0|2,0,0]=4 12189 B9R1.1 CCN1CCN(CC1)C 269982a_100000188432_100000204670 [0,1,0,1,0,0|2,0,0]=4 12190 B9R1.1 CCN1CCN(CC1)C 269982a_100000210033_200000210301 [0,1,0,1,0,0|2,0,0]=4 12191 B9R1.1 CCN1CCN(CC1)[13CH3] 2230a_100000210033_200025704644 [0,1,0,1,0,0|2,0,0]=4 12192 B9R1.1 CCN1CCN(CC1)[13CH3] 269982a_100000210033_200025704644 [0,1,0,1,0,0|2,0,0]=4 12193 B9R1.1 CCN1CCS(=O)CC1 2230a_100000752083_100000210202 [0,1,0,1,0,0|1,0,0]=3 12194 B9R1.1 CCN1CCS(=O)CC1 269982a_100000752083_100000204670 [0,1,0,1,0,0|1,0,0]=3 12195 B9R1.1 CN1CCC(CC1)CF 2230a_100015203933_200000210301 [0,1,0,1,0,0|2,0,0]=4 12196 B9R1.1 CN1CCC(CC1)CF 269982a_100015203933_200000210301 [0,1,0,1,0,0|2,0,0]=4 12197 B9R1.1 CN1CCC(CC1)CF 34a_100015203933_200000210301 [0,1,0,1,0,0|2,0,0]=4 12198 B9R1.1 CN1CCC(CC1)CO 2230a_100000738675_200000210301 [0,1,0,1,0,0|2,0,0]=4 12199 B9R1.1 CN1CCC(CC1)CO 269982a_100000738675_200000210301 [0,1,0,1,0,0|2,0,0]=4 12200 B9R1.1 CN1CCC(CC1)CO 34a_100000738675_200000210301 [0,1,0,1,0,0|2,0,0]=4 12201 B9R1.1 CN1CCC(CC1)S[13CH3] 62a_200025704644_100011215917 [0,1,0,1,0,0|2,0,0]=4 12202 B9R1.1 CNC1CCC(=O)NC1 2230a_100000748762_200000210301 [0,1,0,1,0,0|1,0,0]=3 12203 B9R1.1 CNC1CCC(=O)NC1 34a_100000748762_200000210301 [0,1,0,1,0,0|1,0,0]=3 12204 B9R1.1 CNC1CCC(CC1)C 270004a_106832991635_100000185489 [0,1,0,1,0,0|1,0,1]=4 12205 B9R1.1 CNC1CCC(CC1)C 34a_100102657272_200011216234 [0,1,0,1,0,0|1,0,1]=4 12206 B9R1.1 CNC1CCC(CC1)O 270004a_106832991635_100000764474 [0,1,0,1,0,0|0,0,2]=4 12207 B9R1.1 CNC1CCN(CC1)C 270004a_106832991635_100000210137 [0,1,0,1,0,0|2,0,0]=4 12208 B9R1.1 CN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_200000210301 [0,1,0,1,0,0|1,0,1]=4 12209 B9R1.1 CN[C@H]1CC[C@@H](CC1)C 34a_100020625639_200000210301 [0,1,0,1,0,0|1,0,1]=4 12210 B9R1.1 COC1CCC(=O)CC1 34a_100000764474_200000210301 [0,1,0,1,0,0|0,0,0]=2 12211 B9R1.1 COC1CCC(=O)CC1 7a_100000764474_200000210301 [0,1,0,1,0,0|0,0,0]=2 12212 B9R1.1 COC1CCC(=O)NC1 34a_100000079199_200000210301 [0,1,0,1,0,0|1,0,0]=3 12213 B9R1.1 COC1CCC(CC1)C 34a_100000210714_200000210301 [0,1,0,1,0,0|0,0,2]=4 12214 B9R1.1 COC1CCC(CC1)C 34a_100138415774_200011216234 [0,1,0,1,0,0|0,0,2]=4 12215 B9R1.1 COC1CCC(CC1)C 7a_100000210714_200000210301 [0,1,0,1,0,0|0,0,2]=4 12216 B9R1.1 COC1CCN(CC1)C 2230a_100000234800_200000210301 [0,1,0,1,0,0|2,0,0]=4 12217 B9R1.1 COC1CCN(CC1)C 269982a_100000234800_200000210301 [0,1,0,1,0,0|2,0,0]=4 12218 B9R1.1 COC1CCN(CC1)C 34a_100000234800_200000210301 [0,1,0,1,0,0|2,0,0]=4 12219 B9R1.1 COC1CCN(CC1)[13CH3] 2230a_100000234800_200025704644 [0,1,0,1,0,0|2,0,0]=4 12220 B9R1.1 COC1CCN(CC1)[13CH3] 269982a_100000234800_200025704644 [0,1,0,1,0,0|2,0,0]=4 12221 B9R1.1 COC1CCN(CC1)[13CH3] 34a_100000234800_200025704644 [0,1,0,1,0,0|2,0,0]=4 12222 B9R1.1 COC1CNC(=O)NC1 34a_100000080929_200000210301 [0,1,0,1,0,0|2,0,0]=4 12223 B9R1.1 CO[C@H]1CC[C@H](CC1)N 34a_100020628982_200000210301 [0,1,0,1,0,0|1,0,1]=4 12224 B9R1.1 CSC1CCC(CC1)C 62a_200000210301_200011216234 [0,1,0,1,0,0|0,1,1]=4 12225 B9R1.1 CSC1CCN(CC1)C 2230a_100015202541_200000210301 [0,1,0,1,0,0|2,0,0]=4 12226 B9R1.1 CSC1CCN(CC1)C 269982a_100015202541_200000210301 [0,1,0,1,0,0|2,0,0]=4 12227 B9R1.1 CSC1CCN(CC1)C 34a_100015202541_200000210301 [0,1,0,1,0,0|2,0,0]=4 12228 B9R1.1 CSC1CCN(CC1)C 62a_200000210301_100011215917 [0,1,0,1,0,0|2,0,0]=4 12229 B9R1.1 CSC1CCN(CC1)[13CH3] 2230a_100015202541_200025704644 [0,1,0,1,0,0|2,0,0]=4 12230 B9R1.1 CSC1CCN(CC1)[13CH3] 269982a_100015202541_200025704644 [0,1,0,1,0,0|2,0,0]=4 12231 B9R1.1 CSC1CCN(CC1)[13CH3] 34a_100015202541_200025704644 [0,1,0,1,0,0|2,0,0]=4 12232 B9R1.1 C[C@H]1CC[C@@H](CC1)N[13CH3] 2230a_100020625639_200025704644 [0,1,0,1,0,0|1,0,1]=4 12233 B9R1.1 C[C@H]1CC[C@@H](CC1)N[13CH3] 34a_100020625639_200025704644 [0,1,0,1,0,0|1,0,1]=4 12234 B9R1.1 O=S1CCN(CC1)CF 269982a_100000752083_100015361967 [0,1,0,1,0,0|2,0,0]=4 12235 B9R1.1 [13CH3]N1CCC(CC1)CF 2230a_100015203933_200025704644 [0,1,0,1,0,0|2,0,0]=4 12236 B9R1.1 [13CH3]N1CCC(CC1)CF 269982a_100015203933_200025704644 [0,1,0,1,0,0|2,0,0]=4 12237 B9R1.1 [13CH3]N1CCC(CC1)CF 34a_100015203933_200025704644 [0,1,0,1,0,0|2,0,0]=4 12238 B9R1.1 [13CH3]N1CCC(CC1)CO 2230a_100000738675_200025704644 [0,1,0,1,0,0|2,0,0]=4 12239 B9R1.1 [13CH3]N1CCC(CC1)CO 269982a_100000738675_200025704644 [0,1,0,1,0,0|2,0,0]=4 12240 B9R1.1 [13CH3]N1CCC(CC1)CO 34a_100000738675_200025704644 [0,1,0,1,0,0|2,0,0]=4 12241 B9R1.1 [13CH3]NC1CCC(=O)NC1 2230a_100000748762_200025704644 [0,1,0,1,0,0|1,0,0]=3 12242 B9R1.1 [13CH3]NC1CCC(=O)NC1 34a_100000748762_200025704644 [0,1,0,1,0,0|1,0,0]=3 12243 B9R1.1 [13CH3]OC1CCC(=O)CC1 34a_100000764474_200025704644 [0,1,0,1,0,0|0,0,0]=2 12244 B9R1.1 [13CH3]OC1CCC(=O)CC1 7a_100000764474_200025704644 [0,1,0,1,0,0|0,0,0]=2 12245 B9R1.1 [13CH3]OC1CCC(=O)NC1 34a_100000079199_200025704644 [0,1,0,1,0,0|1,0,0]=3 12246 B9R1.1 [13CH3]OC1CNC(=O)NC1 34a_100000080929_200025704644 [0,1,0,1,0,0|2,0,0]=4 12247 B9R1.1 [13CH3]O[C@H]1CC[C@H](CC1)N 34a_100020628982_200025704644 [0,1,0,1,0,0|1,0,1]=4 12248 B9R1.16 CCCOCC1CC1C 34a_100000744939_100000210303 [0,1,0,1,0,0|1,0,1]=4 12249 B9R1.16 CCCOCC1CC1C 7a_100000744939_100000210303 [0,1,0,1,0,0|1,0,1]=4 12250 B9R1.17 CCCCCN1CCC1 269982a_100000754969_100000210215 [0,1,0,1,0,0|2,0,0]=4 12251 B9R1.17 CCCCNC1CCC1 2230a_100000749019_100000210211 [0,1,0,1,0,0|1,0,1]=4 12252 B9R1.17 CCCCNC1CCC1 270004a_100000102301_100000241760 [0,1,0,1,0,0|1,0,1]=4 12253 B9R1.17 CCCCNC1CCC1 34a_100000749019_100000210210 [0,1,0,1,0,0|1,0,1]=4 12254 B9R1.17 CCCCOC1CCC1 34a_100000210227_100000749161 [0,1,0,1,0,0|1,0,1]=4 12255 B9R1.17 CCCCOC1CCC1 34a_100000748187_100000210210 [0,1,0,1,0,0|1,0,1]=4 12256 B9R1.17 CCCCSC1CCC1 62a_100000210211_100000749161 [0,1,0,1,0,0|1,0,1]=4 12257 B9R1.17 CCCNCC1CCC1 2230a_100000738700_100000210303 [0,1,0,1,0,0|1,0,1]=4 12258 B9R1.17 CCCNCC1CCC1 269862a_100020643023_100000753134 [0,1,0,1,0,0|1,0,1]=4 12259 B9R1.17 CCCNCC1CCC1 34a_100000738700_100000210303 [0,1,0,1,0,0|1,0,1]=4 12260 B9R1.17 CCCNC[C@@H]1CCO1 2230a_100020831831_100000210303 [0,1,0,1,0,0|0,0,2]=4 12261 B9R1.17 CCCNC[C@@H]1CCO1 34a_100020831831_100000210303 [0,1,0,1,0,0|0,0,2]=4 12262 B9R1.17 CCCNN=C1CCC1 4a_100000740057_100000241760 [0,1,0,1,0,0|2,0,0]=4 12263 B9R1.17 CCCOCC1CCC1 34a_100000210258_100000763275 [0,1,0,1,0,0|1,0,1]=4 12264 B9R1.17 CCCOCC1CCC1 34a_100000760304_100000210303 [0,1,0,1,0,0|1,0,1]=4 12265 B9R1.17 CCCOCC1CCO1 34a_100000039022_100000210303 [0,1,0,1,0,0|0,0,2]=4 12266 B9R1.17 CCCOCC1CCO1 34a_100000210258_100000103362 [0,1,0,1,0,0|0,0,2]=4 12267 B9R1.17 CCCSCC1CCC1 62a_100000210303_100000763275 [0,1,0,1,0,0|1,0,1]=4 12268 B9R1.17 CCCSCC1CCC1 62a_100000763275_100000210303 [0,1,0,1,0,0|1,0,1]=4 12269 B9R1.17 CCCSCC1CCO1 62a_100000103362_100000210303 [0,1,0,1,0,0|0,0,2]=4 12270 B9R1.17 CCCSCC1CCO1 62a_100000210303_100000103362 [0,1,0,1,0,0|0,0,2]=4 12271 B9R1.17 CCOCCN1CCC1 269982a_100000754969_100011215890 [0,1,0,1,0,0|2,0,0]=4 12272 B9R1.17 CCSCCN1CCC1 269982a_100000754969_100000757381 [0,1,0,1,0,0|2,0,0]=4 12273 B9R1.17 COCCCN1CCC1 269982a_100000754969_100000740836 [0,1,0,1,0,0|2,0,0]=4 12274 B9R1.17 FCCCCN1CCC1 269982a_100000754969_100000729493 [0,1,0,1,0,0|2,0,0]=4 12275 B9R1.17 OCCCCN1CCC1 269982a_100000754969_100000210776 [0,1,0,1,0,0|2,0,0]=4 12276 B9R1.21 CCC1CCC(C1)NC 270004a_106832991635_100011218773 [0,1,0,1,0,0|1,0,1]=4 12277 B9R1.21 CCN1CCC(C1)CO 2230a_100000748654_100000210202 [0,1,0,1,0,0|2,0,0]=4 12278 B9R1.21 CCN1CCC(C1)CO 269982a_100000748654_100000204670 [0,1,0,1,0,0|2,0,0]=4 12279 B9R1.21 CCN1CCC(C1)CO 34a_100000748654_100000210202 [0,1,0,1,0,0|2,0,0]=4 12280 B9R1.21 CCN1CCC(C1)NC 2230a_100015188829_200000210301 [0,1,0,1,0,0|2,0,0]=4 12281 B9R1.21 CCN1CCC(C1)NC 7a_106832991635_200011861547 [0,1,0,1,0,0|2,0,0]=4 12282 B9R1.21 CCN1CCC(C1)N[13CH3] 2230a_100015188829_200025704644 [0,1,0,1,0,0|2,0,0]=4 12283 B9R1.21 CCN1CCC(C1)SC 62a_200000210301_200011861547 [0,1,0,1,0,0|2,0,0]=4 12284 B9R1.21 CCN1CCC(C1)S[13CH3] 62a_200025704644_200011861547 [0,1,0,1,0,0|2,0,0]=4 12285 B9R1.21 CCN1CC[C@H](C1)OC 2230a_100000766984_100000210202 [0,1,0,1,0,0|2,0,0]=4 12286 B9R1.21 CCN1CC[C@H](C1)OC 269982a_100000766984_100000204670 [0,1,0,1,0,0|2,0,0]=4 12287 B9R1.39 C#CCNC1CCC1=O 34a_100000212058_100009892977 [0,1,0,1,0,0|0,0,2]=4 12288 B9R1.39 C#CCOC1CCC1=O 34a_100000210247_100009892977 [0,1,0,1,0,0|0,0,2]=4 12289 B9R1.39 C#CCSC1CCC1=O 62a_100000038162_100009892977 [0,1,0,1,0,0|0,0,2]=4 12290 B9R1.39 C=CCOC1CCC1=O 34a_200000210373_100009892977 [0,1,0,1,0,0|0,0,2]=4 12291 B9R1.39 C=CCSC1CCC1=O 62a_100000210623_100009892977 [0,1,0,1,0,0|0,0,2]=4 12292 B9R1.39 C=CCSC1CCC1=O 62a_100009892977_100000210623 [0,1,0,1,0,0|0,0,2]=4 12293 B9R1.39 CCCCN1CCC1C 269982a_100000755817_100000210211 [0,1,0,1,0,0|1,0,1]=4 12294 B9R1.39 CCCCN1CCC1C 34a_100000755817_100000210210 [0,1,0,1,0,0|1,0,1]=4 12295 B9R1.39 CCCOC1CCC1=O 34a_100000210258_100009892977 [0,1,0,1,0,0|0,0,0]=2 12296 B9R1.39 CCCSC1CCC1=O 62a_100000210303_100009892977 [0,1,0,1,0,0|0,0,0]=2 12297 B9R1.39 CCCSC1CCC1=O 62a_100009892977_100000210303 [0,1,0,1,0,0|0,0,0]=2 12298 B9R1.39 CNCCC1CCC1=O 2230a_106832991635_200016118888 [0,1,0,1,0,0|0,0,0]=2 12299 B9R1.39 CNCCC1CCC1=O 7a_106832991635_200016118888 [0,1,0,1,0,0|0,0,0]=2 12300 B9R1.39 COCSC1CCC1=O 62a_100000766300_100009892977 [0,1,0,1,0,0|1,0,0]=3 12301 B9R1.39 COCSC1CCC1=O 62a_100009892977_100000766300 [0,1,0,1,0,0|1,0,0]=3 12302 B9R1.39 CSCCC1CCC1=O 62a_200000210301_200016118888 [0,1,0,1,0,0|0,0,0]=2 12303 B9R1.39 CSCCC1CCC1=O 62a_200016118888_200000210301 [0,1,0,1,0,0|0,0,0]=2 12304 B9R1.39 CSCSC1CCC1=O 62a_100009892977_100011218213 [0,1,0,1,0,0|1,0,0]=3 12305 B9R1.39 CSCSC1CCC1=O 62a_100011218213_100009892977 [0,1,0,1,0,0|1,0,0]=3 12306 B9R1.39 N#CCSC1CCC1=O 62a_100009892977_100011215382 [0,1,0,1,0,0|1,0,1]=4 12307 B9R1.39 N#CCSC1CCC1=O 62a_100011215382_100009892977 [0,1,0,1,0,0|1,0,1]=4 12308 B9R1.39 NCCOC1CCC1=O 34a_100000210304_100009892977 [0,1,0,1,0,0|1,0,0]=3 12309 B9R1.39 O=C1CCC1NCCF 34a_100000724931_100009892977 [0,1,0,1,0,0|1,0,0]=3 12310 B9R1.39 O=C1CCC1NCCO 34a_100016990907_100009892977 [0,1,0,1,0,0|1,0,0]=3 12311 B9R1.39 O=C1CCC1OCCBr 34a_100000211926_100009892977 [0,1,0,1,0,0|1,0,0]=3 12312 B9R1.39 O=C1CCC1SCCF 62a_100009892977_100011217306 [0,1,0,1,0,0|1,0,0]=3 12313 B9R1.39 O=C1CCC1SCCF 62a_100011217306_100009892977 [0,1,0,1,0,0|1,0,0]=3 12314 B9R1.39 O=C1CCC1SCCO 62a_100000211926_100009892977 [0,1,0,1,0,0|1,0,0]=3 12315 B9R1.39 O=C1CCC1SCCO 62a_100009892977_100000211926 [0,1,0,1,0,0|1,0,0]=3 12316 B9R1.39 O=CCSC1CCC1=O 62a_100009892977_200015260668 [0,1,0,1,0,0|1,0,1]=4 12317 B9R1.39 O=CCSC1CCC1=O 62a_200015260668_100009892977 [0,1,0,1,0,0|1,0,1]=4 12318 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200016118888_200025704644 [0,1,0,1,0,0|0,0,0]=2 12319 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200025704644_200016118888 [0,1,0,1,0,0|0,0,0]=2 12320 B9R1.78 CCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000210414 [0,1,0,1,0,0|1,0,0]=3 12321 B9R1.78 CCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000210414 [0,1,0,1,0,0|1,0,0]=3 12322 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000210414 [0,1,0,1,0,0|1,0,0]=3 12323 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000210414 [0,1,0,1,0,0|1,0,0]=3 12324 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000210414 [0,1,0,1,0,0|1,0,0]=3 12325 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000210414 [0,1,0,1,0,0|1,0,0]=3 12326 B9R1.78 CNC(=O)N[C@@H]1C[C@@H]1F 2708a_100102657272_100015190264 [0,1,0,1,0,0|2,0,0]=4 12327 B9R1.78 CNC(=O)N[C@@H]1C[C@@H]1F 273464a_100015190264_100102657272 [0,1,0,1,0,0|2,0,0]=4 12328 B9R1.78 CNC(=O)N[C@@H]1C[C@@H]1F 273464a_100102657272_100015190264 [0,1,0,1,0,0|2,0,0]=4 12329 B9R1.78 CNC(=O)N[C@@H]1C[C@@H]1F 512a_106832991638_100015190264 [0,1,0,1,0,0|2,0,0]=4 12330 B9R1.78 CNC(=O)N[C@@H]1C[C@H]1F 2708a_100102657272_100025746932 [0,1,0,1,0,0|2,0,0]=4 12331 B9R1.78 CNC(=O)N[C@@H]1C[C@H]1F 273464a_100102657272_100025746932 [0,1,0,1,0,0|2,0,0]=4 12332 B9R1.78 CNC(=O)N[C@@H]1C[C@H]1F 512a_100025746932_100102657272 [0,1,0,1,0,0|2,0,0]=4 12333 B9R1.78 CNC(=O)N[C@@H]1C[C@H]1F 512a_106832991638_100025746932 [0,1,0,1,0,0|2,0,0]=4 12334 B9R1.78 O=C(CO)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000210174 [0,1,0,1,0,0|2,0,0]=4 12335 B9R1.78 O=C(CO)N[C@@H]1C[C@@H]1F 527a_100015190264_100000210174 [0,1,0,1,0,0|2,0,0]=4 12336 B9R1.78 O=C(CO)N[C@@H]1C[C@H]1F 240690a_100025746932_100000210174 [0,1,0,1,0,0|2,0,0]=4 12337 B9R1.78 O=C(CO)N[C@@H]1C[C@H]1F 527a_100025746932_100000210174 [0,1,0,1,0,0|2,0,0]=4 12338 B9R1.79 C#CC(=O)CC1CCC1 1458a_100000211873_100000763275 [0,1,0,1,0,0|0,0,2]=4 12339 B9R1.79 C#CC(=O)CC1CCO1 1458a_100000211873_100000103362 [0,1,0,1,0,0|0,0,2]=4 12340 B9R1.79 C#CC(=O)CC1COC1 1458a_100000211873_100010264016 [0,1,0,1,0,0|0,0,2]=4 12341 B9R1.79 C=CC(=O)CC1CCC1 1458a_100000185746_100000763275 [0,1,0,1,0,0|0,0,2]=4 12342 B9R1.79 C=CC(=O)CC1CCO1 1458a_100000185746_100000103362 [0,1,0,1,0,0|0,0,2]=4 12343 B9R1.79 C=CC(=O)CC1COC1 1458a_100000185746_100010264016 [0,1,0,1,0,0|0,0,2]=4 12344 B9R1.79 C=CC(=O)NC1CCC1 1626a_100000749019_100000185746 [0,1,0,1,0,0|0,0,2]=4 12345 B9R1.79 C=CC(=O)NC1CCC1 240690a_100000749019_200121576911 [0,1,0,1,0,0|0,0,2]=4 12346 B9R1.79 CCC(=O)C=C1CCC1 1458a_100000686340_100000210202 [0,1,0,1,0,0|0,0,1]=3 12347 B9R1.79 CCC(=O)CC1CCC1 1458a_100000210414_100000763275 [0,1,0,1,0,0|0,0,0]=2 12348 B9R1.79 CCC(=O)CC1CCC1 1458a_100000763092_100000210202 [0,1,0,1,0,0|0,0,0]=2 12349 B9R1.79 CCC(=O)CC1CCO1 1458a_100000210414_100000103362 [0,1,0,1,0,0|0,0,0]=2 12350 B9R1.79 CCC(=O)CC1COC1 1458a_100000210414_100010264016 [0,1,0,1,0,0|0,0,0]=2 12351 B9R1.79 CCC(=O)CC1COC1 1458a_100000687760_100000210202 [0,1,0,1,0,0|0,0,0]=2 12352 B9R1.79 CCC(=O)CN1CCC1 269982a_100000754969_100000747405 [0,1,0,1,0,0|0,0,0]=2 12353 B9R1.79 CCC(=O)NC1CCC1 11a_100000749019_100000210414 [0,1,0,1,0,0|0,0,0]=2 12354 B9R1.79 CCC(=O)NC1CCC1 1626a_100000749019_100000210414 [0,1,0,1,0,0|0,0,0]=2 12355 B9R1.79 CCC(=O)NC1CCC1 240690a_100000749019_100000210414 [0,1,0,1,0,0|0,0,0]=2 12356 B9R1.79 CCC(=O)NC1CCC1 527a_100000749019_100000210414 [0,1,0,1,0,0|0,0,0]=2 12357 B9R1.79 CCC(=O)NC1COC1 11a_100016991112_100000210414 [0,1,0,1,0,0|1,0,0]=3 12358 B9R1.79 CCC(=O)NC1COC1 1626a_100016991112_100000210414 [0,1,0,1,0,0|1,0,0]=3 12359 B9R1.79 CCC(=O)NC1COC1 240690a_100016991112_100000210414 [0,1,0,1,0,0|1,0,0]=3 12360 B9R1.79 CCC(=O)NC1COC1 527a_100016991112_100000210414 [0,1,0,1,0,0|1,0,0]=3 12361 B9R1.79 CCC(=O)NC1CSC1 11a_100016994217_100000210414 [0,1,0,1,0,0|1,0,0]=3 12362 B9R1.79 CCC(=O)NC1CSC1 1626a_100016994217_100000210414 [0,1,0,1,0,0|1,0,0]=3 12363 B9R1.79 CCC(=O)NC1CSC1 240690a_100016994217_100000210414 [0,1,0,1,0,0|1,0,0]=3 12364 B9R1.79 CCC(=O)NC1CSC1 527a_100016994217_100000210414 [0,1,0,1,0,0|1,0,0]=3 12365 B9R1.79 CCC(C)CN1CCC1 269982a_100000754969_100000748023 [0,1,0,1,0,0|1,0,1]=4 12366 B9R1.79 CCC(C)NC1CCC1 2230a_100000749019_100000758301 [0,1,0,1,0,0|1,0,1]=4 12367 B9R1.79 CCC(C)NC1CCC1 270004a_100000209981_100000241760 [0,1,0,1,0,0|1,0,1]=4 12368 B9R1.79 CCC(C)NC1CCC1 34a_100000749019_100011215416 [0,1,0,1,0,0|1,0,1]=4 12369 B9R1.79 CCC(C)OC1CCC1 34a_100000748187_100011215416 [0,1,0,1,0,0|1,0,1]=4 12370 B9R1.79 CCC(C)SC1CCC1 62a_100000758301_100000749161 [0,1,0,1,0,0|1,0,1]=4 12371 B9R1.79 CCC(O)CN1CCC1 269982a_100000754969_100011218378 [0,1,0,1,0,0|0,0,2]=4 12372 B9R1.79 CCN(C)CC1CCC1 2230a_100000225621_100000763275 [0,1,0,1,0,0|2,0,0]=4 12373 B9R1.79 CCN(C)CC1CCC1 2230a_200000750244_100000210202 [0,1,0,1,0,0|2,0,0]=4 12374 B9R1.79 CCN(C)CC1CCC1 269982a_100000225621_100000763275 [0,1,0,1,0,0|2,0,0]=4 12375 B9R1.79 CCN(C)CC1CCC1 269982a_200000750244_100000204670 [0,1,0,1,0,0|2,0,0]=4 12376 B9R1.79 CCN(C)CC1CCC1 34a_200000750244_100000210202 [0,1,0,1,0,0|2,0,0]=4 12377 B9R1.79 CCN(C)CC1CCO1 2230a_100000225621_100000103362 [0,1,0,1,0,0|2,0,0]=4 12378 B9R1.79 CCN(C)CC1CCO1 269982a_100000225621_100000103362 [0,1,0,1,0,0|2,0,0]=4 12379 B9R1.79 CCN(C)CC1COC1 2230a_100000225621_100010264016 [0,1,0,1,0,0|2,0,0]=4 12380 B9R1.79 CCN(C)CC1COC1 269982a_100000225621_100010264016 [0,1,0,1,0,0|2,0,0]=4 12381 B9R1.79 CC[C@H](C)CN1CCC1 269982a_100000754969_100009816398 [0,1,0,1,0,0|1,0,1]=4 12382 B9R1.79 CNC(=O)C=C1CCC1 11a_106832991635_100000686340 [0,1,0,1,0,0|1,0,1]=4 12383 B9R1.79 CNC(=O)C=C1CCC1 240690a_100102657272_100000686340 [0,1,0,1,0,0|1,0,1]=4 12384 B9R1.79 CNC(=O)CC1CCC1 11a_106832991635_100000763092 [0,1,0,1,0,0|1,0,0]=3 12385 B9R1.79 CNC(=O)CC1CCC1 1626a_100102657272_100000763092 [0,1,0,1,0,0|1,0,0]=3 12386 B9R1.79 CNC(=O)CC1CCC1 240690a_100102657272_100000763092 [0,1,0,1,0,0|1,0,0]=3 12387 B9R1.79 CNC(=O)CC1CCC1 527a_100102657272_100000763092 [0,1,0,1,0,0|1,0,0]=3 12388 B9R1.79 CNC(=O)CC1COC1 11a_106832991635_100000687760 [0,1,0,1,0,0|1,0,0]=3 12389 B9R1.79 CNC(=O)CC1COC1 1626a_100102657272_100000687760 [0,1,0,1,0,0|1,0,0]=3 12390 B9R1.79 CNC(=O)CN1CCC1 269982a_100000754969_100000183359 [0,1,0,1,0,0|1,0,0]=3 12391 B9R1.79 CNC(=O)NC1CCC1 2708a_100102657272_100000749019 [0,1,0,1,0,0|1,0,0]=3 12392 B9R1.79 CNC(=O)NC1CCC1 273464a_100000749019_100102657272 [0,1,0,1,0,0|1,0,0]=3 12393 B9R1.79 CNC(=O)NC1CCC1 273464a_100102657272_100000749019 [0,1,0,1,0,0|1,0,0]=3 12394 B9R1.79 CNC(=O)NC1CCC1 512a_100000749019_100102657272 [0,1,0,1,0,0|1,0,0]=3 12395 B9R1.79 CNC(=O)NC1CCC1 512a_106832991638_100000749019 [0,1,0,1,0,0|1,0,0]=3 12396 B9R1.79 CNC(=O)NC1COC1 2708a_100016991112_106832991635 [0,1,0,1,0,0|2,0,0]=4 12397 B9R1.79 CNC(=O)NC1COC1 2708a_100102657272_100016991112 [0,1,0,1,0,0|2,0,0]=4 12398 B9R1.79 CNC(=O)NC1COC1 273464a_100016991112_100102657272 [0,1,0,1,0,0|2,0,0]=4 12399 B9R1.79 CNC(=O)NC1COC1 273464a_100102657272_100016991112 [0,1,0,1,0,0|2,0,0]=4 12400 B9R1.79 CNC(=O)NC1COC1 512a_100016991112_100102657272 [0,1,0,1,0,0|2,0,0]=4 12401 B9R1.79 CNC(=O)NC1COC1 512a_106832991638_100016991112 [0,1,0,1,0,0|2,0,0]=4 12402 B9R1.79 CNC(=O)NC1CSC1 2708a_100016994217_106832991635 [0,1,0,1,0,0|2,0,0]=4 12403 B9R1.79 CNC(=O)NC1CSC1 2708a_100102657272_100016994217 [0,1,0,1,0,0|2,0,0]=4 12404 B9R1.79 CNC(=O)NC1CSC1 273464a_100016994217_100102657272 [0,1,0,1,0,0|2,0,0]=4 12405 B9R1.79 CNC(=O)NC1CSC1 273464a_100102657272_100016994217 [0,1,0,1,0,0|2,0,0]=4 12406 B9R1.79 CNC(=O)NC1CSC1 512a_100016994217_100102657272 [0,1,0,1,0,0|2,0,0]=4 12407 B9R1.79 CNC(=O)NC1CSC1 512a_106832991638_100016994217 [0,1,0,1,0,0|2,0,0]=4 12408 B9R1.79 COC(=O)CN1CCC1 269982a_100000754969_100000747449 [0,1,0,1,0,0|1,0,0]=3 12409 B9R1.79 O=C(C=C1CCC1)CF 1458a_100000686340_100015361967 [0,1,0,1,0,0|1,0,1]=4 12410 B9R1.79 O=C(CF)CC1CCC1 1458a_100000763092_100015361967 [0,1,0,1,0,0|1,0,0]=3 12411 B9R1.79 O=C(CF)CC1COC1 1458a_100000687760_100015361967 [0,1,0,1,0,0|1,0,0]=3 12412 B9R1.79 O=C(CO)CC1CCC1 1458a_100000210174_100000763275 [0,1,0,1,0,0|1,0,0]=3 12413 B9R1.79 O=C(CO)CC1CCO1 1458a_100000210174_100000103362 [0,1,0,1,0,0|1,0,0]=3 12414 B9R1.79 O=C(CO)CC1COC1 1458a_100000210174_100010264016 [0,1,0,1,0,0|1,0,0]=3 12415 B9R1.79 O=C(CO)NC1CCC1 240690a_100000749019_100000210174 [0,1,0,1,0,0|1,0,0]=3 12416 B9R1.79 O=C(CO)NC1CCC1 527a_100000749019_100000210174 [0,1,0,1,0,0|1,0,0]=3 12417 B9R1.79 O=C(CO)NC1COC1 240690a_100016991112_100000210174 [0,1,0,1,0,0|2,0,0]=4 12418 B9R1.79 O=C(CO)NC1COC1 527a_100016991112_100000210174 [0,1,0,1,0,0|2,0,0]=4 12419 B9R1.79 O=C(CO)NC1CSC1 240690a_100016994217_100000210174 [0,1,0,1,0,0|2,0,0]=4 12420 B9R1.79 O=C(CO)NC1CSC1 527a_100016994217_100000210174 [0,1,0,1,0,0|2,0,0]=4 12421 B9R1.80 C#CC(=O)CCC1CC1 1458a_100000211873_100000694398 [0,1,0,1,0,0|0,0,2]=4 12422 B9R1.80 C#CC(=O)CCC1CO1 1458a_100000211873_100000732470 [0,1,0,1,0,0|0,0,2]=4 12423 B9R1.80 C=CC(=O)CCC1CC1 1458a_100000185746_100000694398 [0,1,0,1,0,0|0,0,2]=4 12424 B9R1.80 C=CC(=O)CCC1CO1 1458a_100000185746_100000732470 [0,1,0,1,0,0|0,0,2]=4 12425 B9R1.80 C=CC(=O)NCC1CC1 1626a_100000735609_100000185746 [0,1,0,1,0,0|0,0,2]=4 12426 B9R1.80 C=CC(=O)NCC1CC1 240690a_100000735609_200121576911 [0,1,0,1,0,0|0,0,2]=4 12427 B9R1.80 CCC(=O)C=CC1CC1 1458a_100102529529_100000210202 [0,1,0,1,0,0|0,0,1]=3 12428 B9R1.80 CCC(=O)CCC1CC1 1458a_100000210414_100000694398 [0,1,0,1,0,0|0,0,0]=2 12429 B9R1.80 CCC(=O)CCC1CC1 1458a_100000756386_100000210202 [0,1,0,1,0,0|0,0,0]=2 12430 B9R1.80 CCC(=O)CCC1CO1 1458a_100000210414_100000732470 [0,1,0,1,0,0|0,0,0]=2 12431 B9R1.80 CCC(=O)COC1CC1 34a_100000725409_100000211595 [0,1,0,1,0,0|0,0,0]=2 12432 B9R1.80 CCC(=O)CSC1CC1 62a_100000747405_100000211595 [0,1,0,1,0,0|0,0,0]=2 12433 B9R1.80 CCC(=O)NCC1CC1 11a_100000735609_100000210414 [0,1,0,1,0,0|0,0,0]=2 12434 B9R1.80 CCC(=O)NCC1CC1 1626a_100000735609_100000210414 [0,1,0,1,0,0|0,0,0]=2 12435 B9R1.80 CCC(=O)NCC1CC1 240690a_100000735609_100000210414 [0,1,0,1,0,0|0,0,0]=2 12436 B9R1.80 CCC(=O)NCC1CC1 527a_100000735609_100000210414 [0,1,0,1,0,0|0,0,0]=2 12437 B9R1.80 CCC(=O)NNC1CC1 22a_100000701032_100000210414 [0,1,0,1,0,0|1,0,0]=3 12438 B9R1.80 CCC(C)CNC1CC1 34a_100000212008_100000748023 [0,1,0,1,0,0|1,0,1]=4 12439 B9R1.80 CCC(C)CSC1CC1 62a_100000748023_100000211595 [0,1,0,1,0,0|1,0,1]=4 12440 B9R1.80 CCC(C)NCC1CC1 2230a_100000209981_100000742324 [0,1,0,1,0,0|1,0,1]=4 12441 B9R1.80 CCC(C)NCC1CC1 2230a_100000735609_100000758301 [0,1,0,1,0,0|1,0,1]=4 12442 B9R1.80 CCC(C)NCC1CC1 269862a_100000209981_100000741477 [0,1,0,1,0,0|1,0,1]=4 12443 B9R1.80 CCC(C)NCC1CC1 34a_100000735609_100011215416 [0,1,0,1,0,0|1,0,1]=4 12444 B9R1.80 CCC(C)OCC1CC1 34a_100000211283_100011215416 [0,1,0,1,0,0|1,0,1]=4 12445 B9R1.80 CCC(C)OCC1CC1 7a_100000210228_100000742324 [0,1,0,1,0,0|1,0,1]=4 12446 B9R1.80 CCC(C)SCC1CC1 62a_100000756562_100000758301 [0,1,0,1,0,0|1,0,1]=4 12447 B9R1.80 CCC(C)SCC1CC1 62a_100000758301_100000742324 [0,1,0,1,0,0|1,0,1]=4 12448 B9R1.80 CCC(O)CNC1CC1 34a_100000212008_100011218378 [0,1,0,1,0,0|0,0,2]=4 12449 B9R1.80 CCC(O)CSC1CC1 62a_100011218378_100000211595 [0,1,0,1,0,0|0,0,2]=4 12450 B9R1.80 CCN(C)CCC1CC1 2230a_100000225621_100000694398 [0,1,0,1,0,0|2,0,0]=4 12451 B9R1.80 CCN(C)CCC1CC1 269982a_100000225621_100000694398 [0,1,0,1,0,0|2,0,0]=4 12452 B9R1.80 CCN(C)CCC1CO1 2230a_100000225621_100000732470 [0,1,0,1,0,0|2,0,0]=4 12453 B9R1.80 CCN(C)CCC1CO1 269982a_100000225621_100000732470 [0,1,0,1,0,0|2,0,0]=4 12454 B9R1.80 CC[C@H](C)CNC1CC1 34a_100000212008_100009816398 [0,1,0,1,0,0|1,0,1]=4 12455 B9R1.80 CC[C@H](C)CSC1CC1 62a_100009816398_100000211595 [0,1,0,1,0,0|1,0,1]=4 12456 B9R1.80 CNC(=O)C=CC1CC1 11a_106832991635_100102529529 [0,1,0,1,0,0|1,0,1]=4 12457 B9R1.80 CNC(=O)C=CC1CC1 1626a_100102657272_100102529529 [0,1,0,1,0,0|1,0,1]=4 12458 B9R1.80 CNC(=O)C=CC1CC1 240690a_100102657272_100102529529 [0,1,0,1,0,0|1,0,1]=4 12459 B9R1.80 CNC(=O)CCC1CC1 11a_106832991635_100000756386 [0,1,0,1,0,0|1,0,0]=3 12460 B9R1.80 CNC(=O)CCC1CC1 1626a_100102657272_100000756386 [0,1,0,1,0,0|1,0,0]=3 12461 B9R1.80 CNC(=O)CCC1CC1 240690a_100102657272_100000756386 [0,1,0,1,0,0|1,0,0]=3 12462 B9R1.80 CNC(=O)CCC1CC1 527a_100102657272_100000756386 [0,1,0,1,0,0|1,0,0]=3 12463 B9R1.80 CNC(=O)CNC1CC1 34a_100000212008_100000183359 [0,1,0,1,0,0|1,0,0]=3 12464 B9R1.80 CNC(=O)COC1CC1 34a_100000750040_100000211595 [0,1,0,1,0,0|1,0,0]=3 12465 B9R1.80 CNC(=O)CSC1CC1 62a_100000183359_100000211595 [0,1,0,1,0,0|1,0,0]=3 12466 B9R1.80 CNC(=O)NCC1CC1 2708a_100000735609_106832991635 [0,1,0,1,0,0|1,0,0]=3 12467 B9R1.80 CNC(=O)NCC1CC1 2708a_100102657272_100000735609 [0,1,0,1,0,0|1,0,0]=3 12468 B9R1.80 CNC(=O)NCC1CC1 273464a_100000735609_100102657272 [0,1,0,1,0,0|1,0,0]=3 12469 B9R1.80 CNC(=O)NCC1CC1 273464a_100102657272_100000735609 [0,1,0,1,0,0|1,0,0]=3 12470 B9R1.80 CNC(=O)NCC1CC1 512a_100000735609_100102657272 [0,1,0,1,0,0|1,0,0]=3 12471 B9R1.80 CNC(=O)NCC1CC1 512a_106832991638_100000735609 [0,1,0,1,0,0|1,0,0]=3 12472 B9R1.80 CNC(=O)NNC1CC1 273464a_100102657272_100000701032 [0,1,0,1,0,0|2,0,0]=4 12473 B9R1.80 CNC(=O)NNC1CC1 512a_100000701032_100102657272 [0,1,0,1,0,0|2,0,0]=4 12474 B9R1.80 CNC(=O)NNC1CC1 512a_106832991638_100000701032 [0,1,0,1,0,0|2,0,0]=4 12475 B9R1.80 COC(=O)CNC1CC1 34a_100000212008_100000747449 [0,1,0,1,0,0|1,0,0]=3 12476 B9R1.80 COC(=O)CSC1CC1 62a_100000747449_100000211595 [0,1,0,1,0,0|1,0,0]=3 12477 B9R1.80 O=C(C=CC1CC1)CF 1458a_100102529529_100015361967 [0,1,0,1,0,0|1,0,1]=4 12478 B9R1.80 O=C(CF)CCC1CC1 1458a_100000756386_100015361967 [0,1,0,1,0,0|1,0,0]=3 12479 B9R1.80 O=C(CO)CCC1CC1 1458a_100000210174_100000694398 [0,1,0,1,0,0|1,0,0]=3 12480 B9R1.80 O=C(CO)CCC1CO1 1458a_100000210174_100000732470 [0,1,0,1,0,0|1,0,0]=3 12481 B9R1.80 O=C(CO)NCC1CC1 240690a_100000735609_100000210174 [0,1,0,1,0,0|1,0,0]=3 12482 B9R1.80 O=C(CO)NCC1CC1 527a_100000735609_100000210174 [0,1,0,1,0,0|1,0,0]=3 12483 B9R1.80 O=C(CO)NNC1CC1 22a_100000701032_100000210174 [0,1,0,1,0,0|2,0,0]=4 12484 B9R1.81 C=CC(=O)N1CCC1C 240690a_100000755817_200121576911 [0,1,0,1,0,0|0,0,2]=4 12485 B9R1.81 CC1CCN1C(=O)CO 240690a_100000755817_100000210174 [0,1,0,1,0,0|1,0,0]=3 12486 B9R1.81 CC1CCN1C(=O)CO 527a_100000755817_100000210174 [0,1,0,1,0,0|1,0,0]=3 12487 B9R1.81 CCC(=O)C1CCC1=O 1458a_100000210414_100009892977 [0,1,0,1,0,0|0,0,1]=3 12488 B9R1.81 CCC(=O)N1CCC1C 11a_100000755817_100000210414 [0,1,0,1,0,0|0,0,0]=2 12489 B9R1.81 CCC(=O)N1CCC1C 240690a_100000755817_100000210414 [0,1,0,1,0,0|0,0,0]=2 12490 B9R1.81 CCC(=O)N1CCC1C 527a_100000755817_100000210414 [0,1,0,1,0,0|0,0,0]=2 12491 B9R1.81 CCC(C)N1CCC1C 269982a_100000755817_100000758301 [0,1,0,1,0,0|1,0,1]=4 12492 B9R1.81 CCC(C)N1CCC1C 34a_100000755817_100011215416 [0,1,0,1,0,0|1,0,1]=4 12493 B9R1.81 CCN(C)C1CCC1=O 269982a_100000225621_100009892977 [0,1,0,1,0,0|1,0,0]=3 12494 B9R1.81 CNC(=O)N1CCC1C 2708a_100102657272_100000755817 [0,1,0,1,0,0|1,0,0]=3 12495 B9R1.81 CNC(=O)N1CCC1C 273464a_100102657272_100000755817 [0,1,0,1,0,0|1,0,0]=3 12496 B9R1.81 COC(=O)[C@@H]1CCN1C 2230a_102516456887_200000210301 [0,1,0,1,0,0|1,0,0]=3 12497 B9R1.81 COC(=O)[C@@H]1CCN1C 269982a_102516456887_200000210301 [0,1,0,1,0,0|1,0,0]=3 12498 B9R1.81 COC(=O)[C@@H]1CCN1[13CH3] 2230a_102516456887_200025704644 [0,1,0,1,0,0|1,0,0]=3 12499 B9R1.81 COC(=O)[C@@H]1CCN1[13CH3] 269982a_102516456887_200025704644 [0,1,0,1,0,0|1,0,0]=3 12500 B9R1.81 O=C(CO)C1CCC1=O 1458a_100000210174_100009892977 [0,1,0,1,0,0|1,0,1]=4 12501 B9R1.89 CCN1CCCCCC1 2230a_100000185865_100000210202 [0,1,0,1,0,0|2,0,0]=4 12502 B9R1.89 CCN1CCCCCC1 269982a_100000185865_100000204670 [0,1,0,1,0,0|2,0,0]=4 12503 B9R1.89 CCN1CCCCCC1 34a_100000185865_100000210202 [0,1,0,1,0,0|2,0,0]=4 12504 B9R1.89 CCN1CCCOCC1 2230a_100000685342_100000210202 [0,1,0,1,0,0|2,0,0]=4 12505 B9R1.89 CCN1CCCOCC1 269982a_100000685342_100000204670 [0,1,0,1,0,0|2,0,0]=4 12506 B9R1.89 CCN1CCCOCC1 34a_100000685342_100000210202 [0,1,0,1,0,0|2,0,0]=4 12507 B9R1.89 CNC1CCCCCC1 2230a_100000210984_200000210301 [0,1,0,1,0,0|1,0,1]=4 12508 B9R1.89 CNC1CCCCCC1 270004a_106832991635_100000210131 [0,1,0,1,0,0|1,0,1]=4 12509 B9R1.89 CNC1CCCCCC1 34a_100000210984_200000210301 [0,1,0,1,0,0|1,0,1]=4 12510 B9R1.89 CNC1CCCCCC1 34a_100102657272_100011217769 [0,1,0,1,0,0|1,0,1]=4 12511 B9R1.89 COC1CCCCCC1 34a_100000210887_200000210301 [0,1,0,1,0,0|0,0,2]=4 12512 B9R1.89 COC1CCCCCC1 34a_100138415774_100011217769 [0,1,0,1,0,0|0,0,2]=4 12513 B9R1.89 COC1CCCCCC1 7a_100000210887_200000210301 [0,1,0,1,0,0|0,0,2]=4 12514 B9R1.89 CSC1CCCCCC1 62a_100011217769_200000210301 [0,1,0,1,0,0|0,1,1]=4 12515 B9R1.89 CSC1CCCCCC1 62a_200000210301_100011217769 [0,1,0,1,0,0|0,1,1]=4 12516 B9R1.89 FCN1CCCCCC1 269982a_100000185865_100015361967 [0,1,0,1,0,0|2,0,0]=4 12517 B9R1.89 FCN1CCCCCC1 34a_100000185865_100015361967 [0,1,0,1,0,0|2,0,0]=4 12518 B9R1.89 [13CH3]NC1CCCCCC1 2230a_100000210984_200025704644 [0,1,0,1,0,0|1,0,1]=4 12519 B9R1.89 [13CH3]NC1CCCCCC1 34a_100000210984_200025704644 [0,1,0,1,0,0|1,0,1]=4 12520 B9R1.89 [13CH3]OC1CCCCCC1 34a_100000210887_200025704644 [0,1,0,1,0,0|0,0,2]=4 12521 B9R1.89 [13CH3]OC1CCCCCC1 7a_100000210887_200025704644 [0,1,0,1,0,0|0,0,2]=4 12522 B9R1.89 [13CH3]SC1CCCCCC1 62a_100011217769_200025704644 [0,1,0,1,0,0|0,1,1]=4 12523 B9R1.89 [13CH3]SC1CCCCCC1 62a_200025704644_100011217769 [0,1,0,1,0,0|0,1,1]=4 12524 B9R1.99 CCCCNC1(CC1)C 2230a_100000757604_100000210211 [0,1,0,1,0,0|1,0,1]=4 12525 B9R1.99 CCCCOC1(CC1)C 7a_100011725673_100000210211 [0,1,0,1,0,0|1,0,1]=4 12526 B9R1.99 CCCNCC1(CC1)C 2230a_100000766693_100000210303 [0,1,0,1,0,0|1,0,1]=4 12527 B9R1.99 CCCNCC1(CC1)O 2230a_100011936951_100000210303 [0,1,0,1,0,0|0,0,2]=4 12528 B9R1.99 CCCOCC1(CC1)C 7a_100000698024_100000210303 [0,1,0,1,0,0|1,0,1]=4 12529 B9R1.99 CCCOCC1(CC1)F 34a_200000703853_100000210303 [0,1,0,1,0,0|1,0,1]=4 12530 B9R1.99 CCCOCC1(CC1)F 7a_200000703853_100000210303 [0,1,0,1,0,0|1,0,1]=4 12531 B9R1.6 CC(=O)C1=CCCCC1 1458a_100000765259_200000210301 [0,1,0,1,0,0|1,0,1]=4 12532 B9R1.6 [13CH3]C(=O)C1=CCCCC1 1458a_100000765259_200025704644 [0,1,0,1,0,0|1,0,1]=4 12533 B9R1.23 CCN1C[C@H]([C@H](C1)O)C 2230a_200015306588_100000210202 [0,1,0,1,0,0|2,0,0]=4 12534 B9R1.23 CCN1C[C@H]([C@H](C1)O)C 269982a_200015306588_100000204670 [0,1,0,1,0,0|2,0,0]=4 12535 B9R1.23 CN1CC(CC1=O)N[13CH3] 2230a_100000748898_200025704644 [0,1,0,1,0,0|2,0,0]=4 12536 B9R1.23 CN1CC(CC1=O)N[13CH3] 34a_100000748898_200025704644 [0,1,0,1,0,0|2,0,0]=4 12537 B9R1.23 CNC1CC(=O)N(C1)C 2230a_100000748898_200000210301 [0,1,0,1,0,0|2,0,0]=4 12538 B9R1.23 CNC1CC(=O)N(C1)C 34a_100000748898_200000210301 [0,1,0,1,0,0|2,0,0]=4 12539 B9R1.35 CC(=O)C1CCC(=O)N1 1458a_100000210400_200000210301 [0,1,0,1,0,0|1,0,1]=4 12540 B9R1.35 CC(=O)C1CNC(=O)C1 1458a_100000747279_200000210301 [0,1,0,1,0,0|1,0,1]=4 12541 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200000210301 [0,1,0,1,0,0|1,0,1]=4 12542 B9R1.35 CC(C)N1CC[C@H](C1)C 2230a_100016987628_100000210206 [0,1,0,1,0,0|2,0,0]=4 12543 B9R1.35 CC(C)N1CC[C@H](C1)C 269982a_100016987628_100000210206 [0,1,0,1,0,0|2,0,0]=4 12544 B9R1.35 CC(C)N1CC[C@H](C1)C 34a_100016987628_100000210206 [0,1,0,1,0,0|2,0,0]=4 12545 B9R1.35 CC(C)N1CNC(=O)C1 2230a_200000708111_100000210206 [0,1,0,1,0,0|2,0,0]=4 12546 B9R1.35 [13CH3]C(=O)C1CCC(=O)N1 1458a_100000210400_200025704644 [0,1,0,1,0,0|1,0,1]=4 12547 B9R1.35 [13CH3]C(=O)C1CNC(=O)C1 1458a_100000747279_200025704644 [0,1,0,1,0,0|1,0,1]=4 12548 B9R1.35 [13CH3]C(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200025704644 [0,1,0,1,0,0|1,0,1]=4 12549 B9R1.45 CC(C)C(=O)C1CC1C 1458a_100000211227_100000210206 [0,1,0,1,0,0|0,0,0]=2 12550 B9R1.45 CC(C)C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210206 [0,1,0,1,0,0|1,0,0]=3 12551 B9R1.45 CC1CC1C(=O)N(C)C 11a_100102631434_100000211227 [0,1,0,1,0,0|1,0,0]=3 12552 B9R1.45 CC1CC1C(=O)N(C)C 1626a_100102631434_100000211227 [0,1,0,1,0,0|1,0,0]=3 12553 B9R1.45 CC1CC1C(=O)N(C)C 527a_100102631434_100000211227 [0,1,0,1,0,0|1,0,0]=3 12554 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 12555 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 12556 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 12557 B9R1.95 CCC1CN(C1)C(C)C 2230a_100015205115_100000210206 [0,1,0,1,0,0|2,0,0]=4 12558 B9R1.95 CCC1CN(C1)C(C)C 269982a_100015205115_100000210206 [0,1,0,1,0,0|2,0,0]=4 12559 B9R1.106 CC1CCN(C1(C)C)C 2230a_102516457003_200000210301 [0,1,0,1,0,0|2,0,0]=4 12560 B9R1.106 CC1CCN(C1(C)C)C 269982a_102516457003_200000210301 [0,1,0,1,0,0|2,0,0]=4 12561 B9R1.106 CC1CCN(C1(C)C)C 34a_102516457003_200000210301 [0,1,0,1,0,0|2,0,0]=4 12562 B9R1.106 CC1CCN(C1(C)C)[13CH3] 2230a_102516457003_200025704644 [0,1,0,1,0,0|2,0,0]=4 12563 B9R1.106 CC1CCN(C1(C)C)[13CH3] 269982a_102516457003_200025704644 [0,1,0,1,0,0|2,0,0]=4 12564 B9R1.106 CC1CCN(C1(C)C)[13CH3] 34a_102516457003_200025704644 [0,1,0,1,0,0|2,0,0]=4 12565 B9R1.110 C=C(C)C(=O)C1CCC1 1458a_100000185857_100000749161 [0,1,0,1,0,0|0,0,1]=3 12566 B9R1.110 C=C(C)C(=O)C1COC1 1458a_100000185857_100000687716 [0,1,0,1,0,0|1,0,1]=4 12567 B9R1.110 C=C(C)C(=O)N1CCC1 11a_100000754969_100000185857 [0,1,0,1,0,0|1,0,1]=4 12568 B9R1.110 CC(C)C(=O)C1CCC1 1458a_100000209988_100000210206 [0,1,0,1,0,0|0,0,0]=2 12569 B9R1.110 CC(C)C(=O)C1CCC1 1458a_100000210198_100000749161 [0,1,0,1,0,0|0,0,0]=2 12570 B9R1.110 CC(C)C(=O)C1CCO1 1458a_100000089072_100000210206 [0,1,0,1,0,0|1,0,0]=3 12571 B9R1.110 CC(C)C(=O)C1COC1 1458a_100000210198_100000687716 [0,1,0,1,0,0|1,0,0]=3 12572 B9R1.110 CC(C)C(=O)C1COC1 1458a_100000758290_100000210206 [0,1,0,1,0,0|1,0,0]=3 12573 B9R1.110 CC(C)C(=O)N1CCC1 11a_100000754969_100000210198 [0,1,0,1,0,0|1,0,0]=3 12574 B9R1.110 CC(C)C(=O)N1CCC1 240690a_100000754969_100000210198 [0,1,0,1,0,0|1,0,0]=3 12575 B9R1.110 CC(C)C(=O)N1CCC1 527a_100000754969_100000210198 [0,1,0,1,0,0|1,0,0]=3 12576 B9R1.110 CC(C)N(C)C1CCC1 2230a_100000758072_100000210206 [0,1,0,1,0,0|2,0,0]=4 12577 B9R1.110 CC(C)N(C)C1CCC1 269982a_100000758072_100000210206 [0,1,0,1,0,0|2,0,0]=4 12578 B9R1.110 CC(C)N(C)C1CCC1 269982a_200000211004_100000749161 [0,1,0,1,0,0|2,0,0]=4 12579 B9R1.110 CC(C)N(C)C1CCC1 270004a_200000211004_100000241760 [0,1,0,1,0,0|2,0,0]=4 12580 B9R1.110 CC(C)N(C)C1CCC1 34a_100000758072_100000210206 [0,1,0,1,0,0|2,0,0]=4 12581 B9R1.110 CC(F)C(=O)C1CCC1 1458a_100000062450_100000749161 [0,1,0,1,0,0|0,0,0]=2 12582 B9R1.110 CC(F)C(=O)C1COC1 1458a_100000062450_100000687716 [0,1,0,1,0,0|1,0,0]=3 12583 B9R1.110 CC(F)C(=O)N1CCC1 11a_100000754969_100000062450 [0,1,0,1,0,0|1,0,0]=3 12584 B9R1.110 CC(F)C(=O)N1CCC1 240690a_100000754969_100000062450 [0,1,0,1,0,0|1,0,0]=3 12585 B9R1.110 CC(F)C(=O)N1CCC1 527a_100000754969_100000062450 [0,1,0,1,0,0|1,0,0]=3 12586 B9R1.110 CN(C)C(=O)C1CCC1 11a_100102631434_100000209988 [0,1,0,1,0,0|1,0,0]=3 12587 B9R1.110 CN(C)C(=O)C1CCC1 1626a_100102631434_100000209988 [0,1,0,1,0,0|1,0,0]=3 12588 B9R1.110 CN(C)C(=O)C1CCC1 240690a_100102631434_100000209988 [0,1,0,1,0,0|1,0,0]=3 12589 B9R1.110 CN(C)C(=O)C1CCC1 527a_100102631434_100000209988 [0,1,0,1,0,0|1,0,0]=3 12590 B9R1.110 CN(C)C(=O)C1CCO1 11a_100102631434_100000089072 [0,1,0,1,0,0|2,0,0]=4 12591 B9R1.110 CN(C)C(=O)C1CCO1 1626a_100102631434_100000089072 [0,1,0,1,0,0|2,0,0]=4 12592 B9R1.110 CN(C)C(=O)C1CCO1 240690a_100102631434_100000089072 [0,1,0,1,0,0|2,0,0]=4 12593 B9R1.110 CN(C)C(=O)C1CCO1 527a_100102631434_100000089072 [0,1,0,1,0,0|2,0,0]=4 12594 B9R1.110 CN(C)C(=O)C1COC1 11a_100102631434_100000758290 [0,1,0,1,0,0|2,0,0]=4 12595 B9R1.110 CN(C)C(=O)C1COC1 1626a_100102631434_100000758290 [0,1,0,1,0,0|2,0,0]=4 12596 B9R1.110 CN(C)C(=O)C1COC1 240690a_100102631434_100000758290 [0,1,0,1,0,0|2,0,0]=4 12597 B9R1.110 CN(C)C(=O)C1COC1 527a_100102631434_100000758290 [0,1,0,1,0,0|2,0,0]=4 12598 B9R1.110 C[C@@H](O)C(=O)C1CCC1 1458a_100000717761_100000749161 [0,1,0,1,0,0|0,0,0]=2 12599 B9R1.110 C[C@@H](O)C(=O)C1COC1 1458a_100000717761_100000687716 [0,1,0,1,0,0|1,0,0]=3 12600 B9R1.110 C[C@@H](O)C(=O)N1CCC1 240690a_100000754969_100000717761 [0,1,0,1,0,0|1,0,0]=3 12601 B9R1.110 C[C@H](O)C(=O)C1CCC1 1458a_217856618621_100000749161 [0,1,0,1,0,0|0,0,0]=2 12602 B9R1.110 C[C@H](O)C(=O)C1COC1 1458a_217856618621_100000687716 [0,1,0,1,0,0|1,0,0]=3 12603 B9R1.110 C[C@H](O)C(=O)N1CCC1 240690a_100000754969_217856618621 [0,1,0,1,0,0|1,0,0]=3 12604 B9R1.110 O=C(C(F)F)N1CCC1 11a_100000754969_100000210393 [0,1,0,1,0,0|2,0,0]=4 12605 B9R1.110 O=C(C(F)F)N1CCC1 240690a_100000754969_100000210393 [0,1,0,1,0,0|2,0,0]=4 12606 B9R1.110 O=C(C(F)F)N1CCC1 527a_100000754969_100000210393 [0,1,0,1,0,0|2,0,0]=4 12607 B9R1.110 O=C(C(O)O)C1CCC1 1458a_100000233687_100000749161 [0,1,0,1,0,0|1,0,0]=3 12608 B9R1.110 O=C(C(O)O)C1COC1 1458a_100000233687_100000687716 [0,1,0,1,0,0|2,0,0]=4 12609 B9R1.110 O=C(C(O)O)N1CCC1 240690a_100000754969_100000233687 [0,1,0,1,0,0|2,0,0]=4 12610 B9R1.112 C=C(C)C(=O)CC1CC1 1458a_100000185857_100000742324 [0,1,0,1,0,0|0,0,1]=3 12611 B9R1.112 C=C(C)C(=O)CC1CO1 1458a_100000185857_100011216344 [0,1,0,1,0,0|1,0,1]=4 12612 B9R1.112 C=C(C)C(=O)CC1CS1 1458a_100000185857_100000031435 [0,1,0,1,0,0|1,0,1]=4 12613 B9R1.112 C=C(C)C(=O)C[C@@H]1CO1 1458a_100000185857_100000745022 [0,1,0,1,0,0|1,0,1]=4 12614 B9R1.112 C=C(C)C(=O)NC1CC1 1626a_100000212008_100000185857 [0,1,0,1,0,0|1,0,1]=4 12615 B9R1.112 CC(=O)C(=O)NC1CC1 1458a_100000756273_200000210301 [0,1,0,1,0,0|1,0,1]=4 12616 B9R1.112 CC(C)C(=O)CC1CC1 1458a_100000210198_100000742324 [0,1,0,1,0,0|0,0,0]=2 12617 B9R1.112 CC(C)C(=O)CC1CC1 1458a_100000738066_100000210206 [0,1,0,1,0,0|0,0,0]=2 12618 B9R1.112 CC(C)C(=O)CC1CO1 1458a_100000210198_100011216344 [0,1,0,1,0,0|1,0,0]=3 12619 B9R1.112 CC(C)C(=O)CC1CS1 1458a_100000210198_100000031435 [0,1,0,1,0,0|1,0,0]=3 12620 B9R1.112 CC(C)C(=O)C[C@@H]1CO1 1458a_100000210198_100000745022 [0,1,0,1,0,0|1,0,0]=3 12621 B9R1.112 CC(C)C(=O)NC1CC1 1626a_100000212008_100000210198 [0,1,0,1,0,0|1,0,0]=3 12622 B9R1.112 CC(C)C(=O)NC1CC1 240690a_100000212008_100000210198 [0,1,0,1,0,0|1,0,0]=3 12623 B9R1.112 CC(C)C(=O)NC1CC1 527a_100000212008_100000210198 [0,1,0,1,0,0|1,0,0]=3 12624 B9R1.112 CC(C)N(C)CC1CC1 2230a_100000738798_200000210301 [0,1,0,1,0,0|2,0,0]=4 12625 B9R1.112 CC(C)N(C)CC1CC1 2230a_100000741881_100000210206 [0,1,0,1,0,0|2,0,0]=4 12626 B9R1.112 CC(C)N(C)CC1CC1 269982a_100000738798_200000210301 [0,1,0,1,0,0|2,0,0]=4 12627 B9R1.112 CC(C)N(C)CC1CC1 269982a_100000741881_100000210206 [0,1,0,1,0,0|2,0,0]=4 12628 B9R1.112 CC(C)N(C)CC1CC1 269982a_200000211004_100000756562 [0,1,0,1,0,0|2,0,0]=4 12629 B9R1.112 CC(C)N(C)CC1CC1 34a_100000738798_200000210301 [0,1,0,1,0,0|2,0,0]=4 12630 B9R1.112 CC(C)N([13CH3])CC1CC1 2230a_100000738798_200025704644 [0,1,0,1,0,0|2,0,0]=4 12631 B9R1.112 CC(C)N([13CH3])CC1CC1 269982a_100000738798_200025704644 [0,1,0,1,0,0|2,0,0]=4 12632 B9R1.112 CC(C)N([13CH3])CC1CC1 34a_100000738798_200025704644 [0,1,0,1,0,0|2,0,0]=4 12633 B9R1.112 CC(F)C(=O)CC1CC1 1458a_100000062450_100000742324 [0,1,0,1,0,0|0,0,0]=2 12634 B9R1.112 CC(F)C(=O)CC1CO1 1458a_100000062450_100011216344 [0,1,0,1,0,0|1,0,0]=3 12635 B9R1.112 CC(F)C(=O)CC1CS1 1458a_100000062450_100000031435 [0,1,0,1,0,0|1,0,0]=3 12636 B9R1.112 CC(F)C(=O)C[C@@H]1CO1 1458a_100000062450_100000745022 [0,1,0,1,0,0|1,0,0]=3 12637 B9R1.112 CC(F)C(=O)NC1CC1 1626a_100000212008_100000062450 [0,1,0,1,0,0|1,0,0]=3 12638 B9R1.112 CC(F)C(=O)NC1CC1 240690a_100000212008_100000062450 [0,1,0,1,0,0|1,0,0]=3 12639 B9R1.112 CC(F)C(=O)NC1CC1 527a_100000212008_100000062450 [0,1,0,1,0,0|1,0,0]=3 12640 B9R1.112 CN(C)C(=O)CC1CC1 11a_100102631434_100000738066 [0,1,0,1,0,0|1,0,0]=3 12641 B9R1.112 CN(C)C(=O)CC1CC1 1626a_100102631434_100000738066 [0,1,0,1,0,0|1,0,0]=3 12642 B9R1.112 CN(C)C(=O)CC1CC1 240690a_100102631434_100000738066 [0,1,0,1,0,0|1,0,0]=3 12643 B9R1.112 CN(C)C(=O)CC1CC1 527a_100102631434_100000738066 [0,1,0,1,0,0|1,0,0]=3 12644 B9R1.112 CN(C)C(=O)NC1CC1 2708a_100000212008_100102631434 [0,1,0,1,0,0|2,0,0]=4 12645 B9R1.112 C[C@@H](O)C(=O)CC1CC1 1458a_100000717761_100000742324 [0,1,0,1,0,0|0,0,0]=2 12646 B9R1.112 C[C@@H](O)C(=O)CC1CO1 1458a_100000717761_100011216344 [0,1,0,1,0,0|1,0,0]=3 12647 B9R1.112 C[C@@H](O)C(=O)CC1CS1 1458a_100000717761_100000031435 [0,1,0,1,0,0|1,0,0]=3 12648 B9R1.112 C[C@@H](O)C(=O)C[C@@H]1CO1 1458a_100000717761_100000745022 [0,1,0,1,0,0|1,0,0]=3 12649 B9R1.112 C[C@@H](O)C(=O)NC1CC1 240690a_100000212008_100000717761 [0,1,0,1,0,0|1,0,0]=3 12650 B9R1.112 C[C@H](O)C(=O)CC1CC1 1458a_217856618621_100000742324 [0,1,0,1,0,0|0,0,0]=2 12651 B9R1.112 C[C@H](O)C(=O)CC1CO1 1458a_217856618621_100011216344 [0,1,0,1,0,0|1,0,0]=3 12652 B9R1.112 C[C@H](O)C(=O)CC1CS1 1458a_217856618621_100000031435 [0,1,0,1,0,0|1,0,0]=3 12653 B9R1.112 C[C@H](O)C(=O)C[C@@H]1CO1 1458a_217856618621_100000745022 [0,1,0,1,0,0|1,0,0]=3 12654 B9R1.112 C[C@H](O)C(=O)NC1CC1 1626a_100000212008_217856618621 [0,1,0,1,0,0|1,0,0]=3 12655 B9R1.112 C[C@H](O)C(=O)NC1CC1 240690a_100000212008_217856618621 [0,1,0,1,0,0|1,0,0]=3 12656 B9R1.112 O=C(CC1CC1)C(O)O 1458a_100000233687_100000742324 [0,1,0,1,0,0|1,0,0]=3 12657 B9R1.112 O=C(CC1CO1)C(O)O 1458a_100000233687_100011216344 [0,1,0,1,0,0|2,0,0]=4 12658 B9R1.112 O=C(CC1CS1)C(O)O 1458a_100000233687_100000031435 [0,1,0,1,0,0|2,0,0]=4 12659 B9R1.112 O=C(C[C@@H]1CO1)C(O)O 1458a_100000233687_100000745022 [0,1,0,1,0,0|2,0,0]=4 12660 B9R1.112 O=C(NC1CC1)C(F)F 1626a_100000212008_100000210393 [0,1,0,1,0,0|2,0,0]=4 12661 B9R1.112 O=C(NC1CC1)C(F)F 240690a_100000212008_100000210393 [0,1,0,1,0,0|2,0,0]=4 12662 B9R1.112 O=C(NC1CC1)C(F)F 527a_100000212008_100000210393 [0,1,0,1,0,0|2,0,0]=4 12663 B9R1.112 O=C(NC1CC1)C(O)O 240690a_100000212008_100000233687 [0,1,0,1,0,0|2,0,0]=4 12664 B9R1.112 [13CH3]C(=O)C(=O)NC1CC1 1458a_100000756273_200025704644 [0,1,0,1,0,0|1,0,1]=4 12665 B9R1.10 CC1(CCN(CC1)[13CH3])C 2230a_100000750138_200025704644 [0,1,0,1,0,0|2,0,0]=4 12666 B9R1.10 CC1(CCN(CC1)[13CH3])C 269982a_100000750138_200025704644 [0,1,0,1,0,0|2,0,0]=4 12667 B9R1.10 CC1(CCN(CC1)[13CH3])O 2230a_100000690209_200025704644 [0,1,0,1,0,0|2,0,0]=4 12668 B9R1.10 CC1(CCN(CC1)[13CH3])O 269982a_100000690209_200025704644 [0,1,0,1,0,0|2,0,0]=4 12669 B9R1.10 CN1CCC(CC1)(C)C 2230a_100000750138_200000210301 [0,1,0,1,0,0|2,0,0]=4 12670 B9R1.10 CN1CCC(CC1)(C)C 269982a_100000750138_200000210301 [0,1,0,1,0,0|2,0,0]=4 12671 B9R1.10 CN1CCC(CC1)(C)O 2230a_100000690209_200000210301 [0,1,0,1,0,0|2,0,0]=4 12672 B9R1.10 CN1CCC(CC1)(C)O 269982a_100000690209_200000210301 [0,1,0,1,0,0|2,0,0]=4 12673 B9R1.10 CN1CCS(=O)(=O)CC1 2230a_100000750940_200000210301 [0,1,0,1,0,0|2,0,0]=4 12674 B9R1.10 CN1CCS(=O)(=O)CC1 269982a_100000750940_200000210301 [0,1,0,1,0,0|2,0,0]=4 12675 B9R1.10 CN1CCS(=O)(=O)CC1 34a_100000750940_200000210301 [0,1,0,1,0,0|2,0,0]=4 12676 B9R1.10 [13CH3]N1CCS(=O)(=O)CC1 2230a_100000750940_200025704644 [0,1,0,1,0,0|2,0,0]=4 12677 B9R1.10 [13CH3]N1CCS(=O)(=O)CC1 269982a_100000750940_200025704644 [0,1,0,1,0,0|2,0,0]=4 12678 B9R1.10 [13CH3]N1CCS(=O)(=O)CC1 34a_100000750940_200025704644 [0,1,0,1,0,0|2,0,0]=4 12679 B9R1.67 CC(C)NC1CCC1=O 34a_100138425928_100009892977 [0,1,0,1,0,0|1,0,0]=3 12680 B9R1.67 CC(C)OC1CCC1=O 34a_100000212225_100009892977 [0,1,0,1,0,0|1,0,0]=3 12681 B9R1.67 CC(C)SC1CCC1=O 62a_100000210206_100009892977 [0,1,0,1,0,0|1,0,0]=3 12682 B9R1.67 CC(C)SC1CCC1=O 62a_100009892977_100000210206 [0,1,0,1,0,0|1,0,0]=3 12683 B9R1.84 CC(C)CCN1CCC1 269982a_100000754969_100000210312 [0,1,0,1,0,0|2,0,0]=4 12684 B9R1.84 CC(O)CCN1CCC1 269982a_100000754969_100012276601 [0,1,0,1,0,0|2,0,0]=4 12685 B9R1.133 CCN1CCC(C1)(C)C 2230a_100000764714_100000210202 [0,1,0,1,0,0|2,0,0]=4 12686 B9R1.133 CCN1CCC(C1)(C)C 269982a_100000764714_100000204670 [0,1,0,1,0,0|2,0,0]=4 12687 B9R1.133 CCN1CCC(C1)(C)O 2230a_100000718628_100000210202 [0,1,0,1,0,0|2,0,0]=4 12688 B9R1.133 CCN1CCC(C1)(C)O 269982a_100000718628_100000204670 [0,1,0,1,0,0|2,0,0]=4 12689 B9R1.133 CNC1CCS(=O)(=O)C1 2230a_100000683523_200000210301 [0,1,0,1,0,0|2,0,0]=4 12690 B9R1.133 CNC1CCS(=O)(=O)C1 34a_100000683523_200000210301 [0,1,0,1,0,0|2,0,0]=4 12691 B9R1.133 COC1CCS(=O)(=O)C1 34a_100000186101_200000210301 [0,1,0,1,0,0|2,0,0]=4 12692 B9R1.133 COC1CCS(=O)(=O)C1 7a_100000186101_200000210301 [0,1,0,1,0,0|2,0,0]=4 12693 B9R1.133 [13CH3]NC1CCS(=O)(=O)C1 2230a_100000683523_200025704644 [0,1,0,1,0,0|2,0,0]=4 12694 B9R1.133 [13CH3]NC1CCS(=O)(=O)C1 34a_100000683523_200025704644 [0,1,0,1,0,0|2,0,0]=4 12695 B9R1.133 [13CH3]OC1CCS(=O)(=O)C1 34a_100000186101_200025704644 [0,1,0,1,0,0|2,0,0]=4 12696 B9R1.133 [13CH3]OC1CCS(=O)(=O)C1 7a_100000186101_200025704644 [0,1,0,1,0,0|2,0,0]=4 12697 B9R1.138 CC1N(CCC1(C)C)C 2230a_100102837566_200000210301 [0,1,0,1,0,0|2,0,0]=4 12698 B9R1.138 CC1N(CCC1(C)C)C 269982a_100102837566_200000210301 [0,1,0,1,0,0|2,0,0]=4 12699 B9R1.138 CC1N(CCC1(C)C)C 34a_100102837566_200000210301 [0,1,0,1,0,0|2,0,0]=4 12700 B9R1.138 CC1N(CCC1(C)C)[13CH3] 2230a_100102837566_200025704644 [0,1,0,1,0,0|2,0,0]=4 12701 B9R1.138 CC1N(CCC1(C)C)[13CH3] 269982a_100102837566_200025704644 [0,1,0,1,0,0|2,0,0]=4 12702 B9R1.138 CC1N(CCC1(C)C)[13CH3] 34a_100102837566_200025704644 [0,1,0,1,0,0|2,0,0]=4 12703 B9R1.185 CC1(C[C@@H]1C(=O)CF)C 1458a_100000692687_100015361967 [0,1,0,1,0,0|1,0,0]=3 12704 B9R1.185 CCC(=O)C1CC1(F)F 1458a_100000042250_100000210202 [0,1,0,1,0,0|1,0,0]=3 12705 B9R1.185 CCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000210202 [0,1,0,1,0,0|0,0,0]=2 12706 B9R1.185 CNC(=O)C1CC1(F)F 11a_106832991635_100000042250 [0,1,0,1,0,0|2,0,0]=4 12707 B9R1.185 CNC(=O)C1CC1(F)F 240690a_100102657272_100000042250 [0,1,0,1,0,0|2,0,0]=4 12708 B9R1.185 CNC(=O)C1CC1(F)F 527a_100102657272_100000042250 [0,1,0,1,0,0|2,0,0]=4 12709 B9R1.185 CNC(=O)[C@H]1CC1(C)C 11a_106832991635_100000692687 [0,1,0,1,0,0|1,0,0]=3 12710 B9R1.185 CNC(=O)[C@H]1CC1(C)C 1626a_100102657272_100000692687 [0,1,0,1,0,0|1,0,0]=3 12711 B9R1.185 CNC(=O)[C@H]1CC1(C)C 240690a_100102657272_100000692687 [0,1,0,1,0,0|1,0,0]=3 12712 B9R1.185 CNC(=O)[C@H]1CC1(C)C 527a_100102657272_100000692687 [0,1,0,1,0,0|1,0,0]=3 12713 B9R1.185 O=C(CF)C1CC1(F)F 1458a_100000042250_100015361967 [0,1,0,1,0,0|2,0,0]=4 12714 B9R1.70 CCN(CC)C1CCC1 2230a_100000758130_100000210202 [0,1,0,1,0,0|2,0,0]=4 12715 B9R1.70 CCN(CC)C1CCC1 269956a_100000042499_100000749161 [0,1,0,1,0,0|2,0,0]=4 12716 B9R1.70 CCN(CC)C1CCC1 269982a_100000724800_100000749161 [0,1,0,1,0,0|2,0,0]=4 12717 B9R1.70 CCN(CC)C1CCC1 269982a_100000758130_100000204670 [0,1,0,1,0,0|2,0,0]=4 12718 B9R1.70 CCN(CC)C1CCC1 270004a_100000724800_100000241760 [0,1,0,1,0,0|2,0,0]=4 12719 B9R1.70 CCN(CF)C1CCC1 269982a_100000758130_100015361967 [0,1,0,1,0,0|2,0,0]=4 12720 B9R1.72 CCN(CC)CC1CC1 2230a_100000724800_100000742324 [0,1,0,1,0,0|2,0,0]=4 12721 B9R1.72 CCN(CC)CC1CC1 269956a_100000042499_100000742324 [0,1,0,1,0,0|2,0,0]=4 12722 B9R1.72 CCN(CC)CC1CC1 269982a_100000724800_100000756562 [0,1,0,1,0,0|2,0,0]=4 12723 B9R1.204 CCC1(CCCC1)NC 2230a_100015183760_200000210301 [0,1,0,1,0,0|1,0,1]=4 12724 B9R1.204 CCC1(CCCC1)N[13CH3] 2230a_100015183760_200025704644 [0,1,0,1,0,0|1,0,1]=4 12725 B9R1.204 CCC1(CCCC1)OC 7a_100000752416_200000210301 [0,1,0,1,0,0|0,0,2]=4 12726 B9R1.204 CCC1(CCCC1)O[13CH3] 7a_100000752416_200025704644 [0,1,0,1,0,0|0,0,2]=4 12727 B9R1.113 CC1(CC1)CC(=O)CF 1458a_100000112800_100015361967 [0,1,0,1,0,0|1,0,0]=3 12728 B9R1.113 CC1(CC1)NC(=O)CO 240690a_100000757604_100000210174 [0,1,0,1,0,0|2,0,0]=4 12729 B9R1.113 CC1(CC1)NC(=O)CO 527a_100000757604_100000210174 [0,1,0,1,0,0|2,0,0]=4 12730 B9R1.113 CC1(CO1)CC(=O)CO 1458a_100000210174_100000760498 [0,1,0,1,0,0|2,0,0]=4 12731 B9R1.113 CCC(=O)CC1(CC1)C 1458a_100000112800_100000210202 [0,1,0,1,0,0|0,0,0]=2 12732 B9R1.113 CCC(=O)CC1(CO1)C 1458a_100000210414_100000760498 [0,1,0,1,0,0|1,0,0]=3 12733 B9R1.113 CCC(=O)NC1(CC1)C 11a_100000757604_100000210414 [0,1,0,1,0,0|1,0,0]=3 12734 B9R1.113 CCC(=O)NC1(CC1)C 1626a_100000757604_100000210414 [0,1,0,1,0,0|1,0,0]=3 12735 B9R1.113 CCC(=O)NC1(CC1)C 240690a_100000757604_100000210414 [0,1,0,1,0,0|1,0,0]=3 12736 B9R1.113 CCC(=O)NC1(CC1)C 527a_100000757604_100000210414 [0,1,0,1,0,0|1,0,0]=3 12737 B9R1.113 CNC(=O)CC1(CC1)C 11a_106832991635_100000112800 [0,1,0,1,0,0|1,0,0]=3 12738 B9R1.113 CNC(=O)CC1(CC1)C 1626a_100102657272_100000112800 [0,1,0,1,0,0|1,0,0]=3 12739 B9R1.113 CNC(=O)CC1(CC1)C 240690a_100102657272_100000112800 [0,1,0,1,0,0|1,0,0]=3 12740 B9R1.113 CNC(=O)CC1(CC1)C 527a_100102657272_100000112800 [0,1,0,1,0,0|1,0,0]=3 12741 B9R1.113 CNC(=O)NC1(CC1)C 2708a_100102657272_100000757604 [0,1,0,1,0,0|2,0,0]=4 12742 B9R1.113 CNC(=O)NC1(CC1)C 273464a_100000757604_100102657272 [0,1,0,1,0,0|2,0,0]=4 12743 B9R1.113 CNC(=O)NC1(CC1)C 273464a_100102657272_100000757604 [0,1,0,1,0,0|2,0,0]=4 12744 B9R1.113 CNC(=O)NC1(CC1)C 512a_100000757604_100102657272 [0,1,0,1,0,0|2,0,0]=4 12745 B9R1.207 CCN1CC(C1)(O)CC 2230a_100015191684_100000210202 [0,1,0,1,0,0|2,0,0]=4 12746 B9R1.207 CCN1CC(C1)(O)CC 269982a_100015191684_100000204670 [0,1,0,1,0,0|2,0,0]=4 12747 B9R1.62 CCS(=O)(=O)N1CCC1 270084a_100000754969_100000211323 [0,1,0,1,0,0|2,0,0]=4 12748 B9R1.62 CCS(=O)(=O)N1CCC1 274078a_100000754969_100000211323 [0,1,0,1,0,0|2,0,0]=4 12749 B9R1.62 CCS(=O)(=O)N1CCC1 40a_100000754969_100000053943 [0,1,0,1,0,0|2,0,0]=4 12750 B9R1.64 CCS(=O)(=O)NC1CC1 270084a_100000212008_100000211323 [0,1,0,1,0,0|2,0,0]=4 12751 B9R1.64 CCS(=O)(=O)NC1CC1 274078a_100000212008_100000211323 [0,1,0,1,0,0|2,0,0]=4 12752 B9R2.39 CN1CC2CCC1C2 2230a_100000743476_200000210301 [0,0,0,2,0,0|2,0,0]=4 12753 B9R2.39 CN1CC2CCC1C2 269982a_100000743476_200000210301 [0,0,0,2,0,0|2,0,0]=4 12754 B9R2.39 CN1CC2CCC1C2 34a_100000743476_200000210301 [0,0,0,2,0,0|2,0,0]=4 12755 B9R2.39 [13CH3]N1CC2CCC1C2 2230a_100000743476_200025704644 [0,0,0,2,0,0|2,0,0]=4 12756 B9R2.39 [13CH3]N1CC2CCC1C2 269982a_100000743476_200025704644 [0,0,0,2,0,0|2,0,0]=4 12757 B9R2.39 [13CH3]N1CC2CCC1C2 34a_100000743476_200025704644 [0,0,0,2,0,0|2,0,0]=4 12758 B9R2.47 CCN1CC2CC2C1 2230a_100000741873_100000210202 [0,0,0,2,0,0|2,0,0]=4 12759 B9R2.47 CCN1CC2CC2C1 269982a_100000741873_100000204670 [0,0,0,2,0,0|2,0,0]=4 12760 B9R2.47 CCN1CC2CC2C1 34a_100000741873_100000210202 [0,0,0,2,0,0|2,0,0]=4 12761 B9R2.139 CN1CCC2(C1)CC2 2230a_100000697357_200000210301 [0,0,0,2,0,0|2,0,0]=4 12762 B9R2.139 CN1CCC2(C1)CC2 269982a_100000697357_200000210301 [0,0,0,2,0,0|2,0,0]=4 12763 B9R2.139 CN1CCC2(C1)CC2 34a_100000697357_200000210301 [0,0,0,2,0,0|2,0,0]=4 12764 B9R2.139 [13CH3]N1CCC2(C1)CC2 2230a_100000697357_200025704644 [0,0,0,2,0,0|2,0,0]=4 12765 B9R2.139 [13CH3]N1CCC2(C1)CC2 269982a_100000697357_200025704644 [0,0,0,2,0,0|2,0,0]=4 12766 B9R2.139 [13CH3]N1CCC2(C1)CC2 34a_100000697357_200025704644 [0,0,0,2,0,0|2,0,0]=4 12767 B9R2.91 C1CC(C1)N2CCC2 269982a_100000754969_100000749161 [0,0,0,2,0,0|2,0,0]=4 12768 B9R2.157 C1CN(C1)CC2CC2 269982a_100000754969_100000756562 [0,0,0,2,0,0|2,0,0]=4 12769 B9R2.156 CCN1CC2(C1)CC2 2230a_100015196877_100000210202 [0,0,0,2,0,0|2,0,0]=4 12770 B9R2.156 CCN1CC2(C1)CC2 269982a_100015196877_100000204670 [0,0,0,2,0,0|2,0,0]=4 12771 B9R2.156 CCN1CC2(C1)CC2 34a_100015196877_100000210202 [0,0,0,2,0,0|2,0,0]=4