0 B7R0.3 C#CC(=O)C/C=C/C 1458a_100000211873_100102629194 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.3 C#CC(=O)CC=CC 1458a_100000211873_100000070051 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.3 C#CC(=O)CCSC 1458a_100000211873_100000751147 [0,0,0,0,0,0|1,0,3]=4 3 B7R0.3 C#CCCC(=O)NC 11a_106832991635_100000692101 [0,0,0,0,0,0|1,0,3]=4 4 B7R0.3 C#CCCC(=O)NC 1626a_100102657272_100000692101 [0,0,0,0,0,0|1,0,3]=4 5 B7R0.3 C#CCCC(=O)NC 240690a_100102657272_100000692101 [0,0,0,0,0,0|1,0,3]=4 6 B7R0.3 C#CCCC(=O)NC 527a_100102657272_100000692101 [0,0,0,0,0,0|1,0,3]=4 7 B7R0.3 C#CCNC(=O)NC 2708a_100000212058_106832991635 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.3 C#CCNC(=O)NC 2708a_100102657272_100000212058 [0,0,0,0,0,0|2,0,2]=4 9 B7R0.3 C#CCNC(=O)NC 273464a_100000212058_100102657272 [0,0,0,0,0,0|2,0,2]=4 10 B7R0.3 C#CCNC(=O)NC 273464a_100102657272_100000212058 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.3 C#CCNC(=O)NC 512a_100000212058_100102657272 [0,0,0,0,0,0|2,0,2]=4 12 B7R0.3 C#CCNC(=O)NC 512a_106832991638_100000212058 [0,0,0,0,0,0|2,0,2]=4 13 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [0,0,0,0,0,0|2,0,1]=3 14 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.3 C=CC(=O)C/C=C/C 1458a_100000185746_100102629194 [0,0,0,0,0,0|2,0,2]=4 16 B7R0.3 C=CC(=O)CC=CC 1458a_100000185746_100000070051 [0,0,0,0,0,0|2,0,2]=4 17 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [0,0,0,0,0,0|1,0,3]=4 18 B7R0.3 C=CC=CC(=O)CC 1458a_100016291481_100000210202 [0,0,0,0,0,0|2,0,1]=3 19 B7R0.3 C=CC=CC(=O)CF 1458a_100016291481_100015361967 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.3 C=CC=CC(=O)NC 1626a_100102657272_100016291481 [0,0,0,0,0,0|1,0,1]=2 21 B7R0.3 C=CCCC(=O)NC 11a_106832991635_100000749702 [0,0,0,0,0,0|1,0,3]=4 22 B7R0.3 C=CCCC(=O)NC 1626a_100102657272_100000749702 [0,0,0,0,0,0|1,0,3]=4 23 B7R0.3 C=CCCC(=O)NC 240690a_100102657272_100000749702 [0,0,0,0,0,0|1,0,3]=4 24 B7R0.3 C=CCCC(=O)NC 527a_100102657272_100000749702 [0,0,0,0,0,0|1,0,3]=4 25 B7R0.3 C=CCNC(=O)NC 2708a_100102657272_100020586998 [0,0,0,0,0,0|2,0,2]=4 26 B7R0.3 C=CCNC(=O)NC 273464a_100020586998_100102657272 [0,0,0,0,0,0|2,0,2]=4 27 B7R0.3 C=CCNC(=O)NC 273464a_100102657272_100020586998 [0,0,0,0,0,0|2,0,2]=4 28 B7R0.3 C=CCNC(=O)NC 512a_100020586998_100102657272 [0,0,0,0,0,0|2,0,2]=4 29 B7R0.3 C=CCNC(=O)NC 512a_106832991638_100020586998 [0,0,0,0,0,0|2,0,2]=4 30 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [0,0,0,0,0,0|2,0,2]=4 31 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [0,0,0,0,0,0|2,0,1]=3 32 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [0,0,0,0,0,0|2,0,1]=3 33 B7R0.3 CC=CCC(=O)CF 1458a_100121576822_100015361967 [0,0,0,0,0,0|3,0,1]=4 34 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [0,0,0,0,0,0|3,0,1]=4 35 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [0,0,0,0,0,0|1,0,1]=2 36 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [0,0,0,0,0,0|1,0,1]=2 37 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [0,0,0,0,0,0|1,0,1]=2 38 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [0,0,0,0,0,0|1,0,1]=2 39 B7R0.3 CC=NNC(=O)CC 4a_100000183195_200000210099 [0,0,0,0,0,0|4,0,0]=4 40 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [0,0,0,0,0,0|2,0,2]=4 41 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [0,0,0,0,0,0|1,1,0]=2 42 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [0,0,0,0,0,0|1,1,2]=4 43 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [0,0,0,0,0,0|1,1,2]=4 44 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [0,0,0,0,0,0|1,0,2]=3 45 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [0,0,0,0,0,0|1,0,2]=3 46 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [0,0,0,0,0,0|2,0,0]=2 47 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [0,0,0,0,0,0|3,0,0]=3 48 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [0,0,0,0,0,0|1,0,0]=1 49 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [0,0,0,0,0,0|1,0,0]=1 50 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [0,0,0,0,0,0|1,0,0]=1 51 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [0,0,0,0,0,0|2,0,2]=4 52 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [0,0,0,0,0,0|2,0,2]=4 53 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [0,0,0,0,0,0|1,0,2]=3 54 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [0,0,0,0,0,0|1,0,2]=3 55 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [0,0,0,0,0,0|1,0,2]=3 56 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [0,0,0,0,0,0|1,0,2]=3 57 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [0,0,0,0,0,0|3,0,1]=4 58 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [0,0,0,0,0,0|3,0,1]=4 59 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [0,0,0,0,0,0|3,0,1]=4 60 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [0,0,0,0,0,0|3,0,1]=4 61 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [0,0,0,0,0,0|2,0,1]=3 62 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [0,0,0,0,0,0|2,0,1]=3 63 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [0,0,0,0,0,0|2,0,1]=3 64 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [0,0,0,0,0,0|2,0,1]=3 65 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [0,0,0,0,0,0|2,0,1]=3 66 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [0,0,0,0,0,0|2,0,1]=3 67 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [0,0,0,0,0,0|2,0,1]=3 68 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [0,0,0,0,0,0|2,0,1]=3 69 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [0,0,0,0,0,0|3,0,1]=4 70 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [0,0,0,0,0,0|4,0,0]=4 71 B7R0.3 CCNNC(=O)NC 273464a_100102657272_100000756455 [0,0,0,0,0,0|3,0,0]=3 72 B7R0.3 CCNNC(=O)NC 512a_100000756455_100102657272 [0,0,0,0,0,0|3,0,0]=3 73 B7R0.3 CCNNC(=O)NC 512a_106832991638_100000756455 [0,0,0,0,0,0|3,0,0]=3 74 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [0,0,0,0,0,0|3,0,1]=4 75 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [0,0,0,0,0,0|3,0,1]=4 76 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [0,0,0,0,0,0|2,0,1]=3 77 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [0,0,0,0,0,0|2,0,1]=3 78 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [0,0,0,0,0,0|2,0,1]=3 79 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [0,0,0,0,0,0|2,0,1]=3 80 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [0,0,0,0,0,0|2,0,1]=3 81 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [0,0,0,0,0,0|2,0,1]=3 82 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [0,0,0,0,0,0|3,0,1]=4 83 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [0,0,0,0,0,0|3,0,1]=4 84 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [0,0,0,0,0,0|3,0,1]=4 85 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [0,0,0,0,0,0|3,0,1]=4 86 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [0,0,0,0,0,0|2,0,1]=3 87 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [0,0,0,0,0,0|2,0,1]=3 88 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [0,0,0,0,0,0|2,0,1]=3 89 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [0,0,0,0,0,0|2,0,1]=3 90 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [0,0,0,0,0,0|2,0,1]=3 91 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [0,0,0,0,0,0|2,0,1]=3 92 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [0,0,0,0,0,0|3,0,1]=4 93 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [0,0,0,0,0,0|3,0,1]=4 94 B7R0.3 CNC(=O)C=COC 1626a_100102657272_100016268678 [0,0,0,0,0,0|0,1,0]=1 95 B7R0.3 CNC(=O)C=COC 240690a_100102657272_100016268678 [0,0,0,0,0,0|0,1,0]=1 96 B7R0.3 CNC(=O)CCC#N 11a_106832991635_100011934036 [0,0,0,0,0,0|2,0,2]=4 97 B7R0.3 CNC(=O)CCC#N 1626a_100102657272_100011934036 [0,0,0,0,0,0|2,0,2]=4 98 B7R0.3 CNC(=O)CCC#N 240690a_100102657272_100011934036 [0,0,0,0,0,0|2,0,2]=4 99 B7R0.3 CNC(=O)CCC#N 527a_100102657272_100011934036 [0,0,0,0,0,0|2,0,2]=4 100 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [0,0,0,0,0,0|1,0,2]=3 101 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [0,0,0,0,0,0|1,0,2]=3 102 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [0,0,0,0,0,0|0,1,2]=3 103 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [0,0,0,0,0,0|0,1,2]=3 104 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [0,0,0,0,0,0|0,1,2]=3 105 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [0,0,0,0,0,0|0,1,2]=3 106 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [0,0,0,0,0,0|0,1,2]=3 107 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [0,0,0,0,0,0|0,1,2]=3 108 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [0,0,0,0,0,0|0,1,2]=3 109 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [0,0,0,0,0,0|0,0,2]=2 110 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [0,0,0,0,0,0|0,0,2]=2 111 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [0,0,0,0,0,0|0,0,2]=2 112 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [0,0,0,0,0,0|0,0,2]=2 113 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [0,0,0,0,0,0|0,0,2]=2 114 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [0,0,0,0,0,0|0,0,2]=2 115 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [0,0,0,0,0,0|0,0,2]=2 116 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [0,0,0,0,0,0|0,0,2]=2 117 B7R0.3 CNC(=O)CN=[N+]=[N-] 11a_106832991635_100000751907 [0,0,0,0,0,0|3,0,1]=4 118 B7R0.3 CNC(=O)CN=[N+]=[N-] 240690a_100102657272_100000751907 [0,0,0,0,0,0|3,0,1]=4 119 B7R0.3 CNC(=O)COCF 34a_100000750040_100015361967 [0,0,0,0,0,0|3,0,1]=4 120 B7R0.3 CNC(=O)CSCF 62a_100000183359_100015361967 [0,0,0,0,0,0|3,0,1]=4 121 B7R0.3 CNC(=O)CSCF 62a_100015361967_100000183359 [0,0,0,0,0,0|3,0,1]=4 122 B7R0.3 CNC(=O)NCC#N 2708a_100000734998_106832991635 [0,0,0,0,0,0|3,0,1]=4 123 B7R0.3 CNC(=O)NCC#N 273464a_100000734998_100102657272 [0,0,0,0,0,0|3,0,1]=4 124 B7R0.3 CNC(=O)NCC#N 273464a_100102657272_100000734998 [0,0,0,0,0,0|3,0,1]=4 125 B7R0.3 CNC(=O)NCC#N 512a_100000734998_100102657272 [0,0,0,0,0,0|3,0,1]=4 126 B7R0.3 CNC(=O)NCC#N 512a_106832991638_100000734998 [0,0,0,0,0,0|3,0,1]=4 127 B7R0.3 CNC(=O)NCCF 2708a_100102657272_100000724931 [0,0,0,0,0,0|3,0,1]=4 128 B7R0.3 CNC(=O)NCCF 273464a_100000724931_100102657272 [0,0,0,0,0,0|3,0,1]=4 129 B7R0.3 CNC(=O)NCCF 273464a_100102657272_100000724931 [0,0,0,0,0,0|3,0,1]=4 130 B7R0.3 CNC(=O)NCCF 512a_106832991638_100000724931 [0,0,0,0,0,0|3,0,1]=4 131 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [0,0,0,0,0,0|3,0,1]=4 132 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [0,0,0,0,0,0|3,0,1]=4 133 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [0,0,0,0,0,0|3,0,1]=4 134 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [0,0,0,0,0,0|3,0,1]=4 135 B7R0.3 CNC(C)CCSC 270004a_106832991635_100011217047 [0,0,0,0,0,0|1,0,3]=4 136 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [0,0,0,0,0,0|1,0,2]=3 137 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [0,0,0,0,0,0|1,0,2]=3 138 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [0,0,0,0,0,0|1,0,2]=3 139 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [0,0,0,0,0,0|1,0,2]=3 140 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [0,0,0,0,0,0|1,0,2]=3 141 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [0,0,0,0,0,0|2,0,2]=4 142 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [0,0,0,0,0,0|2,0,2]=4 143 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [0,0,0,0,0,0|2,0,2]=4 144 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [0,0,0,0,0,0|1,0,2]=3 145 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [0,0,0,0,0,0|1,0,2]=3 146 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [0,0,0,0,0,0|1,0,2]=3 147 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [0,0,0,0,0,0|1,0,2]=3 148 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [0,0,0,0,0,0|2,0,1]=3 149 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [0,0,0,0,0,0|2,0,1]=3 150 B7R0.3 COC=CC(=O)CF 1458a_100016268678_100015361967 [0,0,0,0,0,0|2,1,0]=3 151 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [0,0,0,0,0,0|1,1,2]=4 152 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [0,0,0,0,0,0|2,0,2]=4 153 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [0,0,0,0,0,0|2,0,2]=4 154 B6R0.1 C#CCC(=O)NC 1626a_100102657272_100011220946 [1,0,0,0,0,0|0,0,3]=4 155 B6R0.1 C#CCC(=O)NC 527a_100102657272_100011220946 [1,0,0,0,0,0|0,0,3]=4 156 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [1,0,0,0,0,0|2,0,1]=4 157 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [1,0,0,0,0,0|2,0,1]=4 158 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [1,0,0,0,0,0|1,0,2]=4 159 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [1,0,0,0,0,0|1,0,2]=4 160 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [1,0,0,0,0,0|0,0,2]=3 161 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [1,0,0,0,0,0|0,0,2]=3 162 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [1,0,0,0,0,0|0,0,2]=3 163 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [1,0,0,0,0,0|0,0,2]=3 164 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [1,0,0,0,0,0|1,0,2]=4 165 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [1,0,0,0,0,0|1,0,0]=2 166 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [1,0,0,0,0,0|2,0,0]=3 167 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [1,0,0,0,0,0|0,0,0]=1 168 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [1,0,0,0,0,0|0,0,0]=1 169 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [1,0,0,0,0,0|0,0,0]=1 170 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [1,0,0,0,0,0|2,0,0]=3 171 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [1,0,0,0,0,0|2,0,0]=3 172 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [1,0,0,0,0,0|2,0,0]=3 173 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [1,0,0,0,0,0|2,0,1]=4 174 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [1,0,0,0,0,0|1,1,1]=4 175 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [1,0,0,0,0,0|1,1,1]=4 176 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [1,0,0,0,0,0|1,1,1]=4 177 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [1,0,0,0,0,0|1,0,1]=3 178 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [1,0,0,0,0,0|1,0,1]=3 179 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [1,0,0,0,0,0|1,0,1]=3 180 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [1,0,0,0,0,0|1,0,1]=3 181 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [1,0,0,0,0,0|1,0,1]=3 182 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [1,0,0,0,0,0|3,0,0]=4 183 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [1,0,0,0,0,0|1,0,2]=4 184 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [1,0,0,0,0,0|1,0,2]=4 185 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [1,0,0,0,0,0|0,0,2]=3 186 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [1,0,0,0,0,0|0,0,2]=3 187 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [1,0,0,0,0,0|0,0,2]=3 188 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [1,0,0,0,0,0|0,0,2]=3 189 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [1,0,0,0,0,0|2,0,1]=4 190 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [1,0,0,0,0,0|2,0,1]=4 191 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [1,0,0,0,0,0|2,0,1]=4 192 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [1,0,0,0,0,0|1,0,1]=3 193 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [1,0,0,0,0,0|1,0,1]=3 194 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [1,0,0,0,0,0|1,0,1]=3 195 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [1,0,0,0,0,0|1,0,1]=3 196 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [1,0,0,0,0,0|1,0,1]=3 197 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [1,0,0,0,0,0|1,0,1]=3 198 B6R0.1 CNC(=O)C=CBr 1626a_100102657272_100016273825 [1,0,0,0,0,0|1,0,0]=2 199 B6R0.1 CNC(=O)C=CBr 240690a_100102657272_100016273825 [1,0,0,0,0,0|1,0,0]=2 200 B6R0.1 CNC(=O)C=CCl 11a_106832991635_200016279998 [1,0,0,0,0,0|1,0,0]=2 201 B6R0.1 CNC(=O)C=CCl 1626a_100102657272_200016279998 [1,0,0,0,0,0|1,0,0]=2 202 B6R0.1 CNC(=O)C=CCl 240690a_100102657272_200016279998 [1,0,0,0,0,0|1,0,0]=2 203 B6R0.1 CNC(=O)C=CI 1626a_100102657272_100016256311 [1,0,0,0,0,0|1,0,0]=2 204 B6R0.1 CNC(=O)CC#N 1626a_100102657272_100051588842 [1,0,0,0,0,0|1,0,2]=4 205 B6R0.1 CNC(=O)CC#N 240690a_100102657272_100051588842 [1,0,0,0,0,0|1,0,2]=4 206 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [1,0,0,0,0,0|0,1,2]=4 207 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [1,0,0,0,0,0|1,0,1]=3 208 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [1,0,0,0,0,0|0,1,1]=3 209 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [1,0,0,0,0,0|0,1,1]=3 210 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [1,0,0,0,0,0|0,1,1]=3 211 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [1,0,0,0,0,0|0,1,1]=3 212 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [1,0,0,0,0,0|0,1,1]=3 213 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [1,0,0,0,0,0|0,1,1]=3 214 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [1,0,0,0,0,0|0,1,1]=3 215 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [1,0,0,0,0,0|0,0,1]=2 216 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [1,0,0,0,0,0|0,0,1]=2 217 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [1,0,0,0,0,0|0,0,1]=2 218 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [1,0,0,0,0,0|0,0,1]=2 219 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [1,0,0,0,0,0|0,0,1]=2 220 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [1,0,0,0,0,0|0,0,1]=2 221 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [1,0,0,0,0,0|0,0,1]=2 222 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [1,0,0,0,0,0|0,0,1]=2 223 B6R0.1 CNC(C)CSC 270004a_106832991635_100011216314 [1,0,0,0,0,0|1,0,2]=4 224 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [1,0,0,0,0,0|1,0,1]=3 225 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [1,0,0,0,0,0|1,0,1]=3 226 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [1,0,0,0,0,0|1,0,1]=3 227 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [1,0,0,0,0,0|1,0,1]=3 228 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [1,0,0,0,0,0|2,0,1]=4 229 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [1,0,0,0,0,0|2,0,1]=4 230 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [1,0,0,0,0,0|2,0,1]=4 231 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [1,0,0,0,0,0|2,0,0]=3 232 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [1,0,0,0,0,0|2,0,0]=3 233 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [1,0,0,0,0,0|2,0,0]=3 234 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [1,0,0,0,0,0|1,0,1]=3 235 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [1,0,0,0,0,0|1,0,1]=3 236 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [1,0,0,0,0,0|1,0,1]=3 237 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [1,0,0,0,0,0|1,0,1]=3 238 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [1,0,0,0,0,0|1,1,1]=4 239 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [1,0,0,0,0,0|2,0,1]=4 240 B6R0.1 O=C(C=CBr)CF 1458a_100016273825_100015361967 [1,0,0,0,0,0|3,0,0]=4 241 B6R0.1 O=C(C=CCl)CF 1458a_200016279998_100015361967 [1,0,0,0,0,0|3,0,0]=4 242 B6R0.1 O=C(C=CI)CF 1458a_100016256311_100015361967 [1,0,0,0,0,0|3,0,0]=4 243 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,0,0,0,0,0|1,0,1]=3 244 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [1,0,0,0,0,0|1,0,2]=4 245 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [1,0,0,0,0,0|1,0,2]=4 246 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [1,0,0,0,0,0|1,0,2]=4 247 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [1,0,0,0,0,0|1,0,2]=4 248 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [1,0,0,0,0,0|1,0,1]=3 249 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [1,0,0,0,0,0|1,0,1]=3 250 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [1,0,0,0,0,0|1,0,2]=4 251 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [1,0,0,0,0,0|2,0,1]=4 252 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [1,0,0,0,0,0|1,1,1]=4 253 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [1,0,0,0,0,0|1,0,1]=3 254 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [1,0,0,0,0,0|1,0,1]=3 255 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,0,0,0,0,0|0,1,2]=4 256 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,0,0,0,0,0|0,1,2]=4 257 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,0,0,0,0,0|0,0,2]=3 258 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,0,0,0,0,0|0,0,2]=3 259 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [1,0,0,0,0,0|1,0,1]=3 260 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [1,0,0,0,0,0|1,0,1]=3 261 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,0,0,0,0,0|1,0,1]=3 262 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,0,0,0,0,0|1,0,1]=3 263 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,0,0,0,0,0|1,0,1]=3 264 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [1,0,0,0,0,0|3,0,0]=4 265 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [1,0,0,0,0,0|1,0,2]=4 266 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [1,0,0,0,0,0|1,0,2]=4 267 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,0,0,0,0,0|1,0,0]=2 268 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,0,0,0,0,0|1,0,0]=2 269 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,0,0,0,0,0|1,0,2]=4 270 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,0,0,0,0,0|1,0,2]=4 271 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,0,0,0,0,0|1,0,2]=4 272 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,0,0,0,0,0|2,0,1]=4 273 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,0,0,0,0,0|2,0,1]=4 274 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,0,0,0,0,0|2,0,1]=4 275 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,0,0,0,0,0|2,0,1]=4 276 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [1,0,0,0,0,0|2,0,1]=4 277 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [1,0,0,0,0,0|2,0,1]=4 278 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [1,0,0,0,0,0|3,0,0]=4 279 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,0,0,0,0,0|2,0,1]=4 280 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,0,0,0,0,0|2,0,1]=4 281 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [1,0,0,0,0,0|2,0,1]=4 282 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,0,0,0,0,0|2,0,1]=4 283 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,0,0,0,0,0|2,0,1]=4 284 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [1,0,0,0,0,0|2,0,1]=4 285 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [1,0,0,0,0,0|2,0,1]=4 286 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,0,0,0,0,0|2,0,1]=4 287 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [1,0,0,0,0,0|2,0,1]=4 288 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [1,0,0,0,0,0|2,0,1]=4 289 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [1,0,0,0,0,0|2,0,1]=4 290 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [1,0,0,0,0,0|2,0,1]=4 291 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,0,0,0,0,0|1,0,2]=4 292 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [1,0,0,0,0,0|1,0,2]=4 293 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [1,0,0,0,0,0|1,0,2]=4 294 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [1,0,0,0,0,0|1,0,2]=4 295 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [1,0,0,0,0,0|2,0,1]=4 296 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [1,0,0,0,0,0|0,1,0]=2 297 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [1,0,0,0,0,0|0,1,0]=2 298 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [1,0,0,0,0,0|1,1,1]=4 299 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [1,0,0,0,0,0|1,1,1]=4 300 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,0,0,0,0,0|0,1,2]=4 301 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,0,0,0,0,0|0,1,2]=4 302 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,0,0,0,0,0|0,1,2]=4 303 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,0,0,0,0,0|0,1,2]=4 304 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [1,0,0,0,0,0|0,1,2]=4 305 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [1,0,0,0,0,0|0,1,2]=4 306 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [1,0,0,0,0,0|0,1,2]=4 307 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,0,0,0,0,0|0,1,2]=4 308 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [1,0,0,0,0,0|1,1,1]=4 309 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [1,0,0,0,0,0|1,0,1]=3 310 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [1,0,0,0,0,0|1,0,1]=3 311 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,0,0,0,0,0|0,0,2]=3 312 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,0,0,0,0,0|0,0,2]=3 313 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,0,0,0,0,0|0,0,2]=3 314 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,0,0,0,0,0|0,0,2]=3 315 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [1,0,0,0,0,0|0,0,2]=3 316 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [1,0,0,0,0,0|0,0,2]=3 317 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,0,0,0,0,0|0,0,2]=3 318 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [1,0,0,0,0,0|1,0,1]=3 319 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [1,0,0,0,0,0|1,0,1]=3 320 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [1,0,0,0,0,0|0,1,2]=4 321 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [1,0,0,0,0,0|0,1,2]=4 322 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [1,0,0,0,0,0|0,0,2]=3 323 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [1,0,0,0,0,0|0,0,2]=3 324 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [1,0,0,0,0,0|1,0,1]=3 325 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [1,0,0,0,0,0|1,0,1]=3 326 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [1,0,0,0,0,0|1,0,1]=3 327 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [1,0,0,0,0,0|1,1,1]=4 328 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [1,0,0,0,0,0|1,1,1]=4 329 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [1,0,0,0,0,0|1,1,1]=4 330 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [1,0,0,0,0,0|1,0,1]=3 331 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [1,0,0,0,0,0|1,0,1]=3 332 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [1,0,0,0,0,0|1,0,1]=3 333 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [1,0,0,0,0,0|1,0,1]=3 334 B6R0.6 CNCCCSC 2230a_100000749238_200000210301 [1,0,0,0,0,0|0,0,3]=4 335 B6R0.6 CSCCCN[13CH3] 2230a_100000749238_200025704644 [1,0,0,0,0,0|0,0,3]=4 336 B8R0.1 C#CCC(=O)C=CCC 1458a_100000212282_100000184674 [0,1,0,0,0,0|2,0,1]=4 337 B8R0.1 C#CCC(=O)C=COC 1458a_100016268678_100000184674 [0,1,0,0,0,0|1,1,1]=4 338 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [0,1,0,0,0,0|2,0,1]=4 339 B8R0.1 C/C=C/CC(=O)CCO 1458a_100011216618_100102629194 [0,1,0,0,0,0|2,0,1]=4 340 B8R0.1 C/C=C/CC(=O)COC 1458a_100000210968_100102629194 [0,1,0,0,0,0|2,0,1]=4 341 B8R0.1 C/C=C/CC(=O)CSC 1458a_100000184570_100102629194 [0,1,0,0,0,0|2,0,1]=4 342 B8R0.1 C=CC=CC(=O)CCC 1458a_100016291481_100000210303 [0,1,0,0,0,0|2,0,1]=4 343 B8R0.1 C=CC=CC(=O)CCF 1458a_100016291481_100011217306 [0,1,0,0,0,0|2,0,1]=4 344 B8R0.1 C=CC=CC(=O)CCO 1458a_100016291481_100000211926 [0,1,0,0,0,0|2,0,1]=4 345 B8R0.1 C=CC=CC(=O)NNC 22a_100016993582_100016291481 [0,1,0,0,0,0|1,0,1]=3 346 B8R0.1 C=CCC(=O)C=CCC 1458a_100000212282_100000210623 [0,1,0,0,0,0|2,0,1]=4 347 B8R0.1 C=CCC(=O)C=COC 1458a_100016268678_100000210623 [0,1,0,0,0,0|1,1,1]=4 348 B8R0.1 CC#CC(=O)C/C=C/C 1458a_100000763181_100102629194 [0,1,0,0,0,0|2,0,1]=4 349 B8R0.1 CC#CC(=O)CC=CC 1458a_100000763181_100000070051 [0,1,0,0,0,0|2,0,1]=4 350 B8R0.1 CC#CC(=O)CCSC 1458a_100000763181_100000751147 [0,1,0,0,0,0|1,0,2]=4 351 B8R0.1 CC=CC(=O)C/C=C/C 1458a_100000210699_100102629194 [0,1,0,0,0,0|2,0,1]=4 352 B8R0.1 CC=CC(=O)CCSC 1458a_100000210699_100000751147 [0,1,0,0,0,0|1,0,2]=4 353 B8R0.1 CC=CCC(=O)C=CC 1458a_100000210699_100000070051 [0,1,0,0,0,0|2,0,1]=4 354 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [0,1,0,0,0,0|2,0,1]=4 355 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [0,1,0,0,0,0|2,0,1]=4 356 B8R0.1 CC=CCC(=O)CCF 1458a_100121576822_100011217306 [0,1,0,0,0,0|2,0,1]=4 357 B8R0.1 CC=CCC(=O)CCO 1458a_100011216618_100000070051 [0,1,0,0,0,0|2,0,1]=4 358 B8R0.1 CC=CCC(=O)CCO 1458a_100121576822_100000211926 [0,1,0,0,0,0|2,0,1]=4 359 B8R0.1 CC=CCC(=O)COC 1458a_100000210968_100000070051 [0,1,0,0,0,0|2,0,1]=4 360 B8R0.1 CC=CCC(=O)CSC 1458a_100000184570_100000070051 [0,1,0,0,0,0|2,0,1]=4 361 B8R0.1 CC=CCC(=O)NCC 11a_100015525214_100121576822 [0,1,0,0,0,0|1,0,1]=3 362 B8R0.1 CC=CCC(=O)NCC 240690a_100015525214_100121576822 [0,1,0,0,0,0|1,0,1]=3 363 B8R0.1 CC=CCC(=O)NCC 527a_100015525214_100121576822 [0,1,0,0,0,0|1,0,1]=3 364 B8R0.1 CC=CCC(=O)NNC 22a_100016993582_100121576822 [0,1,0,0,0,0|1,0,1]=3 365 B8R0.1 CCC#CC(=O)NNC 22a_100016993582_100011827653 [0,1,0,0,0,0|1,0,2]=4 366 B8R0.1 CCC=CC(=O)CC#N 1458a_100000212282_100011214920 [0,1,0,0,0,0|2,0,1]=4 367 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [0,1,0,0,0,0|2,0,0]=3 368 B8R0.1 CCC=CC(=O)CCF 1458a_100000212282_100011217306 [0,1,0,0,0,0|2,0,0]=3 369 B8R0.1 CCC=CC(=O)CCO 1458a_100000212282_100000211926 [0,1,0,0,0,0|2,0,0]=3 370 B8R0.1 CCC=CC(=O)NCC 11a_100015525214_100000212282 [0,1,0,0,0,0|1,0,0]=2 371 B8R0.1 CCC=CC(=O)NCC 240690a_100015525214_100000212282 [0,1,0,0,0,0|1,0,0]=2 372 B8R0.1 CCC=CC(=O)NNC 22a_100016993582_100000212282 [0,1,0,0,0,0|1,0,0]=2 373 B8R0.1 CCCC(=O)C=COC 1458a_100016268678_100000210303 [0,1,0,0,0,0|1,1,0]=3 374 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [0,1,0,0,0,0|1,0,2]=4 375 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [0,1,0,0,0,0|1,0,2]=4 376 B8R0.1 CCCC(=O)OCSC 62a_200000210301_100000034017 [0,1,0,0,0,0|2,0,1]=4 377 B8R0.1 CCCC(=O)OCS[13CH3] 62a_200025704644_100000034017 [0,1,0,0,0,0|2,0,1]=4 378 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [0,1,0,0,0,0|1,0,2]=4 379 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [0,1,0,0,0,0|1,0,2]=4 380 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [0,1,0,0,0,0|1,0,2]=4 381 B8R0.1 CCCCC(=O)NNC 22a_100016993582_100000210183 [0,1,0,0,0,0|1,0,2]=4 382 B8R0.1 CCCNC(=O)CNC 2230a_100000174927_200000210301 [0,1,0,0,0,0|2,0,1]=4 383 B8R0.1 CCCNC(=O)CNC 2230a_106832991635_100000183358 [0,1,0,0,0,0|2,0,1]=4 384 B8R0.1 CCCNC(=O)CNC 34a_100102657272_100000183358 [0,1,0,0,0,0|2,0,1]=4 385 B8R0.1 CCCNC(=O)CNC 7a_106832991635_100000183358 [0,1,0,0,0,0|2,0,1]=4 386 B8R0.1 CCCNC(=O)CN[13CH3] 2230a_100000174927_200025704644 [0,1,0,0,0,0|2,0,1]=4 387 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [0,1,0,0,0,0|2,0,1]=4 388 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [0,1,0,0,0,0|2,0,1]=4 389 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [0,1,0,0,0,0|2,0,1]=4 390 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [0,1,0,0,0,0|2,0,1]=4 391 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [0,1,0,0,0,0|2,0,1]=4 392 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [0,1,0,0,0,0|2,0,1]=4 393 B8R0.1 CCCNC(=O)NNC 273464a_100020643023_100016993582 [0,1,0,0,0,0|2,0,1]=4 394 B8R0.1 CCCNC(=O)NNC 512a_100016993582_100020643023 [0,1,0,0,0,0|2,0,1]=4 395 B8R0.1 CCCNC(=O)NNC 512a_100020643023_100016993582 [0,1,0,0,0,0|2,0,1]=4 396 B8R0.1 CCCOC(=O)CNC 2230a_106832991635_200011215008 [0,1,0,0,0,0|2,0,1]=4 397 B8R0.1 CCCOC(=O)CNC 34a_100102657272_200011215008 [0,1,0,0,0,0|2,0,1]=4 398 B8R0.1 CCCOC(=O)CNC 7a_106832991635_200011215008 [0,1,0,0,0,0|2,0,1]=4 399 B8R0.1 CCNC(=O)C=COC 240690a_100015525214_100016268678 [0,1,0,0,0,0|0,1,0]=2 400 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [0,1,0,0,0,0|1,0,2]=4 401 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [0,1,0,0,0,0|1,0,2]=4 402 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [0,1,0,0,0,0|1,0,2]=4 403 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [0,1,0,0,0,0|1,0,2]=4 404 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [0,1,0,0,0,0|0,1,2]=4 405 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [0,1,0,0,0,0|0,1,2]=4 406 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [0,1,0,0,0,0|0,1,2]=4 407 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [0,1,0,0,0,0|0,0,2]=3 408 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [0,1,0,0,0,0|0,0,2]=3 409 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [0,1,0,0,0,0|0,0,2]=3 410 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [0,1,0,0,0,0|0,0,2]=3 411 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [0,1,0,0,0,0|0,0,2]=3 412 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [0,1,0,0,0,0|0,0,2]=3 413 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [0,1,0,0,0,0|0,0,2]=3 414 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [0,1,0,0,0,0|2,0,1]=4 415 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [0,1,0,0,0,0|2,0,1]=4 416 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [0,1,0,0,0,0|2,0,1]=4 417 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [0,1,0,0,0,0|2,0,1]=4 418 B8R0.1 CCNC(=O)CSCC 11a_100015525214_100000230394 [0,1,0,0,0,0|2,0,1]=4 419 B8R0.1 CCNC(=O)CSCC 240690a_100015525214_100000230394 [0,1,0,0,0,0|2,0,1]=4 420 B8R0.1 CCNC(=O)CSCC 527a_100015525214_100000230394 [0,1,0,0,0,0|2,0,1]=4 421 B8R0.1 CCNC(=O)CSCC 62a_100000183381_100000210202 [0,1,0,0,0,0|2,0,1]=4 422 B8R0.1 CCNC(=O)CSCC 62a_100000210202_100000183381 [0,1,0,0,0,0|2,0,1]=4 423 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [0,1,0,0,0,0|2,0,1]=4 424 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [0,1,0,0,0,0|2,0,1]=4 425 B8R0.1 CCNCC(=O)NCO 2230a_100015525214_100000185155 [0,1,0,0,0,0|2,0,1]=4 426 B8R0.1 CCNNC(=O)NCC 273464a_100015525214_100000756455 [0,1,0,0,0,0|3,0,0]=4 427 B8R0.1 CCNNC(=O)NCC 512a_100000756455_100015525214 [0,1,0,0,0,0|3,0,0]=4 428 B8R0.1 CCNNC(=O)NCC 512a_100015525214_100000756455 [0,1,0,0,0,0|3,0,0]=4 429 B8R0.1 CCNNC(=O)NNC 512a_100000756455_100016993582 [0,1,0,0,0,0|3,0,0]=4 430 B8R0.1 CCNNC(=O)NNC 512a_100016993582_100000756455 [0,1,0,0,0,0|3,0,0]=4 431 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [0,1,0,0,0,0|1,0,2]=4 432 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [0,1,0,0,0,0|1,0,2]=4 433 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [0,1,0,0,0,0|1,0,2]=4 434 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [0,1,0,0,0,0|1,0,2]=4 435 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [0,1,0,0,0,0|2,0,1]=4 436 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [0,1,0,0,0,0|2,0,1]=4 437 B8R0.1 CCOCC(=O)NCO 34a_100121572206_100000185155 [0,1,0,0,0,0|2,0,1]=4 438 B8R0.1 CCOCC(=O)NNC 22a_100016993582_100000211967 [0,1,0,0,0,0|2,0,1]=4 439 B8R0.1 CCSCC(=O)NCO 62a_100000185155_100000210202 [0,1,0,0,0,0|2,0,1]=4 440 B8R0.1 CCSCC(=O)NCO 62a_100000210202_100000185155 [0,1,0,0,0,0|2,0,1]=4 441 B8R0.1 CCSCC(=O)NNC 22a_100016993582_100000230394 [0,1,0,0,0,0|2,0,1]=4 442 B8R0.1 CNNC(=O)C=COC 22a_100016993582_100016268678 [0,1,0,0,0,0|0,1,0]=2 443 B8R0.1 CNNC(=O)CCOC 22a_100016993582_100000749529 [0,1,0,0,0,0|0,1,2]=4 444 B8R0.1 CNNC(=O)CCSC 22a_100016993582_100000174002 [0,1,0,0,0,0|0,0,2]=3 445 B8R0.1 COC=CC(=O)CC#N 1458a_100016268678_100011214920 [0,1,0,0,0,0|1,1,1]=4 446 B8R0.1 COC=CC(=O)CCF 1458a_100016268678_100011217306 [0,1,0,0,0,0|1,1,0]=3 447 B8R0.1 COC=CC(=O)CCO 1458a_100016268678_100000211926 [0,1,0,0,0,0|1,1,0]=3 448 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [0,1,0,0,0,0|1,0,2]=4 449 B8R0.1 CSCCC(=O)CCF 1458a_100000174002_100011217306 [0,1,0,0,0,0|1,0,2]=4 450 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [0,1,0,0,0,0|1,0,2]=4 451 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [0,1,0,0,0,0|1,0,2]=4 452 B8R0.1 CSCCC(=O)CSC 1458a_100000184570_100000751147 [0,1,0,0,0,0|1,0,2]=4 453 B8R0.3 C#CCC(=O)C(=O)NC 1458a_100011218921_100000184674 [0,1,0,0,0,0|1,0,2]=4 454 B8R0.3 C=C(CNC)C(=O)OC 34a_100102657272_100009813391 [0,1,0,0,0,0|2,0,1]=4 455 B8R0.3 C=C(COC)C(=O)OC 34a_100138415774_100009813391 [0,1,0,0,0,0|1,1,1]=4 456 B8R0.3 C=C(CSC)C(=O)OC 62a_100009813391_200000210301 [0,1,0,0,0,0|1,0,1]=3 457 B8R0.3 C=C(CSC)C(=O)OC 62a_200000210301_100009813391 [0,1,0,0,0,0|1,0,1]=3 458 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_100009813391_200025704644 [0,1,0,0,0,0|1,0,1]=3 459 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_200025704644_100009813391 [0,1,0,0,0,0|1,0,1]=3 460 B8R0.3 C=CCC(=O)C(=O)NC 1458a_100011218921_100000210623 [0,1,0,0,0,0|1,0,2]=4 461 B8R0.3 CC/C=C(\C)/C(=O)CC 1458a_100016988807_100000210202 [0,1,0,0,0,0|2,0,0]=3 462 B8R0.3 CC/C=C(\C)/C(=O)CF 1458a_100016988807_100015361967 [0,1,0,0,0,0|3,0,0]=4 463 B8R0.3 CC/C=C(\C)/C(=O)NC 11a_106832991635_100016988807 [0,1,0,0,0,0|1,0,0]=2 464 B8R0.3 CC/C=C(\C)/C(=O)NC 1626a_100102657272_100016988807 [0,1,0,0,0,0|1,0,0]=2 465 B8R0.3 CC/C=C(\C)/C(=O)NC 240690a_100102657272_100016988807 [0,1,0,0,0,0|1,0,0]=2 466 B8R0.3 CC/C=C(\C)/C(=O)NC 527a_100102657272_100016988807 [0,1,0,0,0,0|1,0,0]=2 467 B8R0.3 CCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210202 [0,1,0,0,0,0|2,1,0]=4 468 B8R0.3 CCC(=O)C(C)CSC 1458a_100000753918_100000210202 [0,1,0,0,0,0|1,0,2]=4 469 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [0,1,0,0,0,0|1,0,1]=3 470 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [0,1,0,0,0,0|1,0,2]=4 471 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [0,1,0,0,0,0|1,0,2]=4 472 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [0,1,0,0,0,0|1,0,2]=4 473 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [0,1,0,0,0,0|1,0,2]=4 474 B8R0.3 CCCN(C)C(=O)NC 2708a_100102657272_100000747261 [0,1,0,0,0,0|2,0,1]=4 475 B8R0.3 CCCN(C)C(=O)NC 273464a_100102657272_100000747261 [0,1,0,0,0,0|2,0,1]=4 476 B8R0.3 CCC[C@H](O)C(=O)NC 240690a_100102657272_100009822183 [0,1,0,0,0,0|1,0,2]=4 477 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [0,1,0,0,0,0|3,0,0]=4 478 B8R0.3 CCNC(=O)C(=O)NC 1626a_100102657272_200011297158 [0,1,0,0,0,0|2,0,0]=3 479 B8R0.3 CCNC(=O)C(=O)NC 240690a_100015525214_100011218921 [0,1,0,0,0,0|2,0,0]=3 480 B8R0.3 CCNC(=O)C(=O)NC 240690a_100102657272_200011297158 [0,1,0,0,0,0|2,0,0]=3 481 B8R0.3 CCNC(=O)C(=O)NC 527a_100015525214_100011218921 [0,1,0,0,0,0|2,0,0]=3 482 B8R0.3 CCNC(=O)C(=O)NC 527a_100102657272_200011297158 [0,1,0,0,0,0|2,0,0]=3 483 B8R0.3 CCNC(=O)C(=O)OC 11a_100015525214_100000024059 [0,1,0,0,0,0|3,0,0]=4 484 B8R0.3 CCNC(=O)C(=O)OC 240690a_100015525214_100000024059 [0,1,0,0,0,0|3,0,0]=4 485 B8R0.3 CCNC(=O)C(=O)OC 527a_100015525214_100000024059 [0,1,0,0,0,0|3,0,0]=4 486 B8R0.3 CCNC(C)C(=O)NC 2230a_100015525214_100000731044 [0,1,0,0,0,0|2,0,1]=4 487 B8R0.3 CCNC(F)C(=O)NC 2230a_100015525214_100009813575 [0,1,0,0,0,0|2,0,1]=4 488 B8R0.3 CCN[C@H](C)C(=O)NC 2230a_100000684985_100000210202 [0,1,0,0,0,0|2,0,1]=4 489 B8R0.3 CCN[C@H](C)C(=O)NC 34a_100000684985_100000210202 [0,1,0,0,0,0|2,0,1]=4 490 B8R0.3 CCOC(=O)C(=O)NC 11a_106832991635_100014798877 [0,1,0,0,0,0|2,0,0]=3 491 B8R0.3 CCOC(=O)C(=O)NC 1626a_100102657272_100014798877 [0,1,0,0,0,0|2,0,0]=3 492 B8R0.3 CCOC(=O)C(=O)NC 240690a_100102657272_100014798877 [0,1,0,0,0,0|2,0,0]=3 493 B8R0.3 CCOC(C)C(=O)NC 11a_106832991635_100000739345 [0,1,0,0,0,0|2,0,1]=4 494 B8R0.3 CCOC(C)C(=O)NC 1626a_100102657272_100000739345 [0,1,0,0,0,0|2,0,1]=4 495 B8R0.3 CCOC(C)C(=O)NC 240690a_100102657272_100000739345 [0,1,0,0,0,0|2,0,1]=4 496 B8R0.3 CCOC(C)C(=O)NC 34a_100121572206_100000731044 [0,1,0,0,0,0|2,0,1]=4 497 B8R0.3 CCOC(C)C(=O)NC 527a_100102657272_100000739345 [0,1,0,0,0,0|2,0,1]=4 498 B8R0.3 CCOC(F)C(=O)NC 34a_100121572206_100009813575 [0,1,0,0,0,0|2,0,1]=4 499 B8R0.3 CCSC(C)C(=O)NC 11a_106832991635_100000230601 [0,1,0,0,0,0|2,0,1]=4 500 B8R0.3 CCSC(C)C(=O)NC 1626a_100102657272_100000230601 [0,1,0,0,0,0|2,0,1]=4 501 B8R0.3 CCSC(C)C(=O)NC 240690a_100102657272_100000230601 [0,1,0,0,0,0|2,0,1]=4 502 B8R0.3 CCSC(C)C(=O)NC 527a_100102657272_100000230601 [0,1,0,0,0,0|2,0,1]=4 503 B8R0.3 CCSC(C)C(=O)NC 62a_100000209862_100000210202 [0,1,0,0,0,0|2,0,1]=4 504 B8R0.3 CCSC(C)C(=O)NC 62a_100000210202_100000731044 [0,1,0,0,0,0|2,0,1]=4 505 B8R0.3 CCSC(F)C(=O)NC 62a_100000210202_100009813575 [0,1,0,0,0,0|2,0,1]=4 506 B8R0.3 CCSC(F)C(=O)NC 62a_100009813575_100000210202 [0,1,0,0,0,0|2,0,1]=4 507 B8R0.3 CNC(=O)/C(=N/OC)/C 11a_106832991635_100160996864 [0,1,0,0,0,0|1,1,0]=3 508 B8R0.3 CNC(=O)/C(=N/OC)/C 240690a_100102657272_100160996864 [0,1,0,0,0,0|1,1,0]=3 509 B8R0.3 CNC(=O)C(=O)CC#N 1458a_100011218921_100011214920 [0,1,0,0,0,0|2,0,1]=4 510 B8R0.3 CNC(=O)C(=O)CCF 1458a_100011218921_100011217306 [0,1,0,0,0,0|2,0,1]=4 511 B8R0.3 CNC(=O)C(=O)CCO 1458a_100011218921_100000211926 [0,1,0,0,0,0|2,0,1]=4 512 B8R0.3 CNC(=O)C(C)CN[13CH3] 2230a_100015187722_200025704644 [0,1,0,0,0,0|1,0,2]=4 513 B8R0.3 CNC(=O)C(C)CN[13CH3] 34a_100015187722_200025704644 [0,1,0,0,0,0|1,0,2]=4 514 B8R0.3 CNC(=O)C(C)COC 11a_106832991635_100000751857 [0,1,0,0,0,0|0,1,2]=4 515 B8R0.3 CNC(=O)C(C)COC 1626a_100102657272_100000751857 [0,1,0,0,0,0|0,1,2]=4 516 B8R0.3 CNC(=O)C(C)COC 240690a_100102657272_100000751857 [0,1,0,0,0,0|0,1,2]=4 517 B8R0.3 CNC(=O)C(C)COC 527a_100102657272_100000751857 [0,1,0,0,0,0|0,1,2]=4 518 B8R0.3 CNC(=O)C(C)CSC 11a_106832991635_100000753918 [0,1,0,0,0,0|0,0,2]=3 519 B8R0.3 CNC(=O)C(C)CSC 1626a_100102657272_100000753918 [0,1,0,0,0,0|0,0,2]=3 520 B8R0.3 CNC(=O)C(C)CSC 240690a_100102657272_100000753918 [0,1,0,0,0,0|0,0,2]=3 521 B8R0.3 CNC(=O)C(C)CSC 527a_100102657272_100000753918 [0,1,0,0,0,0|0,0,2]=3 522 B8R0.3 CNCC(=O)C(=O)OC 34a_100102657272_100011610305 [0,1,0,0,0,0|2,0,1]=4 523 B8R0.3 CNCC(C)C(=O)NC 2230a_100015187722_200000210301 [0,1,0,0,0,0|1,0,2]=4 524 B8R0.3 CNCC(C)C(=O)NC 34a_100015187722_200000210301 [0,1,0,0,0,0|1,0,2]=4 525 B8R0.3 CNNC(=O)C(=O)NC 22a_100016993582_100011218921 [0,1,0,0,0,0|2,0,0]=3 526 B8R0.3 COC(=O)C(=O)CSC 62a_100011610305_200000210301 [0,1,0,0,0,0|1,0,1]=3 527 B8R0.3 COC(=O)C(=O)CSC 62a_200000210301_100011610305 [0,1,0,0,0,0|1,0,1]=3 528 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_100011610305_200025704644 [0,1,0,0,0,0|1,0,1]=3 529 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_200025704644_100011610305 [0,1,0,0,0,0|1,0,1]=3 530 B8R0.3 COC(=O)C(C)CSC 62a_100000698445_200000210301 [0,1,0,0,0,0|1,0,2]=4 531 B8R0.3 COC(=O)C(C)CSC 62a_200000210301_100000698445 [0,1,0,0,0,0|1,0,2]=4 532 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_100000698445_200025704644 [0,1,0,0,0,0|1,0,2]=4 533 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_200025704644_100000698445 [0,1,0,0,0,0|1,0,2]=4 534 B8R0.3 COCC(=O)C(=O)OC 34a_100138415774_100011610305 [0,1,0,0,0,0|1,1,1]=4 535 B8R0.6 C#CC(=O)C/C=C\CC 1458a_100000211873_100103147603 [0,1,0,0,0,0|2,0,1]=4 536 B8R0.6 C/C=C/C=CC(=O)CC 1458a_100000185730_100000210202 [0,1,0,0,0,0|2,0,0]=3 537 B8R0.6 C/C=C/C=CC(=O)CF 1458a_100000185730_100015361967 [0,1,0,0,0,0|3,0,0]=4 538 B8R0.6 C/C=C/C=CC(=O)NC 11a_106832991635_100000185730 [0,1,0,0,0,0|1,0,0]=2 539 B8R0.6 C/C=C/C=CC(=O)NC 1626a_100102657272_100000185730 [0,1,0,0,0,0|1,0,0]=2 540 B8R0.6 C/C=C/C=CC(=O)NC 240690a_100102657272_100000185730 [0,1,0,0,0,0|1,0,0]=2 541 B8R0.6 C=CC(=O)C/C=C\CC 1458a_100000185746_100103147603 [0,1,0,0,0,0|2,0,1]=4 542 B8R0.6 CC#CCNC(=O)NC 2708a_100102657272_100000685387 [0,1,0,0,0,0|1,0,2]=4 543 B8R0.6 CC#CCNC(=O)NC 273464a_100000685387_100102657272 [0,1,0,0,0,0|1,0,2]=4 544 B8R0.6 CC#CCNC(=O)NC 273464a_100102657272_100000685387 [0,1,0,0,0,0|1,0,2]=4 545 B8R0.6 CC#CCNC(=O)NC 512a_100000685387_100102657272 [0,1,0,0,0,0|1,0,2]=4 546 B8R0.6 CC#CCNC(=O)NC 512a_106832991638_100000685387 [0,1,0,0,0,0|1,0,2]=4 547 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [0,1,0,0,0,0|2,0,0]=3 548 B8R0.6 CC/C=C/CC(=O)CF 1458a_100016274230_100015361967 [0,1,0,0,0,0|3,0,0]=4 549 B8R0.6 CC/C=C/CC(=O)NC 11a_106832991635_100016274230 [0,1,0,0,0,0|1,0,0]=2 550 B8R0.6 CC/C=C/CC(=O)NC 1626a_100102657272_100016274230 [0,1,0,0,0,0|1,0,0]=2 551 B8R0.6 CC/C=C/CC(=O)NC 240690a_100102657272_100016274230 [0,1,0,0,0,0|1,0,0]=2 552 B8R0.6 CC/C=C/CC(=O)NC 527a_100102657272_100016274230 [0,1,0,0,0,0|1,0,0]=2 553 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [0,1,0,0,0,0|2,0,0]=3 554 B8R0.6 CC/C=C\CC(=O)CO 1458a_100000210174_100103147603 [0,1,0,0,0,0|3,0,0]=4 555 B8R0.6 CCC(=O)C=CCOC 1458a_100016285016_100000210202 [0,1,0,0,0,0|1,1,0]=3 556 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [0,1,0,0,0,0|1,0,2]=4 557 B8R0.6 CCC(=O)COCSC 34a_100000725409_100011218213 [0,1,0,0,0,0|1,0,2]=4 558 B8R0.6 CCC(=O)CSCSC 62a_100000747405_100011218213 [0,1,0,0,0,0|1,0,2]=4 559 B8R0.6 CCC(=O)CSCSC 62a_100011218213_100000747405 [0,1,0,0,0,0|1,0,2]=4 560 B8R0.6 CCC(=O)NCCSC 11a_100020590264_100000210414 [0,1,0,0,0,0|1,0,2]=4 561 B8R0.6 CCC(=O)NCCSC 1626a_100020590264_100000210414 [0,1,0,0,0,0|1,0,2]=4 562 B8R0.6 CCC(=O)NCCSC 240690a_100020590264_100000210414 [0,1,0,0,0,0|1,0,2]=4 563 B8R0.6 CCC(=O)NCCSC 527a_100020590264_100000210414 [0,1,0,0,0,0|1,0,2]=4 564 B8R0.6 CCC=NNC(=O)CC 4a_100000183195_100000210100 [0,1,0,0,0,0|3,0,0]=4 565 B8R0.6 CCCC#CC(=O)NC 240690a_100102657272_200011218047 [0,1,0,0,0,0|1,0,2]=4 566 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [0,1,0,0,0,0|2,0,0]=3 567 B8R0.6 CCCC=CC(=O)CF 1458a_100000212230_100015361967 [0,1,0,0,0,0|3,0,0]=4 568 B8R0.6 CCCC=CC(=O)NC 11a_106832991635_100000212230 [0,1,0,0,0,0|1,0,0]=2 569 B8R0.6 CCCC=CC(=O)NC 1626a_100102657272_100000212230 [0,1,0,0,0,0|1,0,0]=2 570 B8R0.6 CCCC=CC(=O)NC 240690a_100102657272_100000212230 [0,1,0,0,0,0|1,0,0]=2 571 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [0,1,0,0,0,0|1,0,2]=4 572 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [0,1,0,0,0,0|1,0,2]=4 573 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [0,1,0,0,0,0|1,0,2]=4 574 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [0,1,0,0,0,0|1,0,2]=4 575 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [0,1,0,0,0,0|1,0,2]=4 576 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [0,1,0,0,0,0|1,0,2]=4 577 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [0,1,0,0,0,0|1,0,2]=4 578 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [0,1,0,0,0,0|1,0,2]=4 579 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [0,1,0,0,0,0|1,0,2]=4 580 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [0,1,0,0,0,0|1,0,2]=4 581 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [0,1,0,0,0,0|1,0,2]=4 582 B8R0.6 CCCNNC(=O)NC 273464a_100102657272_100000740057 [0,1,0,0,0,0|2,0,1]=4 583 B8R0.6 CCCNNC(=O)NC 512a_100000740057_100102657272 [0,1,0,0,0,0|2,0,1]=4 584 B8R0.6 CCCNNC(=O)NC 512a_106832991638_100000740057 [0,1,0,0,0,0|2,0,1]=4 585 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [0,1,0,0,0,0|1,0,2]=4 586 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [0,1,0,0,0,0|1,0,2]=4 587 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [0,1,0,0,0,0|1,0,2]=4 588 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [0,1,0,0,0,0|1,0,2]=4 589 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [0,1,0,0,0,0|1,0,2]=4 590 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [0,1,0,0,0,0|1,0,2]=4 591 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [0,1,0,0,0,0|1,0,2]=4 592 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [0,1,0,0,0,0|1,0,2]=4 593 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [0,1,0,0,0,0|1,0,2]=4 594 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [0,1,0,0,0,0|1,0,2]=4 595 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [0,1,0,0,0,0|1,0,2]=4 596 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [0,1,0,0,0,0|1,0,2]=4 597 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [0,1,0,0,0,0|1,0,2]=4 598 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [0,1,0,0,0,0|1,0,2]=4 599 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [0,1,0,0,0,0|1,0,2]=4 600 B8R0.6 CCNN=CC(=O)OC 4a_100000756455_200011823558 [0,1,0,0,0,0|3,0,0]=4 601 B8R0.6 CCOC=CC(=O)CC 1458a_100016266692_100000210202 [0,1,0,0,0,0|1,1,0]=3 602 B8R0.6 CCOC=CC(=O)CF 1458a_100016266692_100015361967 [0,1,0,0,0,0|2,1,0]=4 603 B8R0.6 CCOC=CC(=O)NC 11a_106832991635_100016266692 [0,1,0,0,0,0|0,1,0]=2 604 B8R0.6 CCOC=CC(=O)NC 1626a_100102657272_100016266692 [0,1,0,0,0,0|0,1,0]=2 605 B8R0.6 CCOC=CC(=O)NC 240690a_100102657272_100016266692 [0,1,0,0,0,0|0,1,0]=2 606 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [0,1,0,0,0,0|0,1,2]=4 607 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [0,1,0,0,0,0|0,1,2]=4 608 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [0,1,0,0,0,0|0,1,2]=4 609 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [0,1,0,0,0,0|0,1,2]=4 610 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [0,1,0,0,0,0|0,1,2]=4 611 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [0,1,0,0,0,0|0,1,2]=4 612 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [0,1,0,0,0,0|1,0,2]=4 613 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [0,1,0,0,0,0|1,0,2]=4 614 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [0,1,0,0,0,0|0,0,2]=3 615 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [0,1,0,0,0,0|0,0,2]=3 616 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [0,1,0,0,0,0|0,0,2]=3 617 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [0,1,0,0,0,0|0,0,2]=3 618 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [0,1,0,0,0,0|0,0,2]=3 619 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [0,1,0,0,0,0|0,0,2]=3 620 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [0,1,0,0,0,0|1,0,2]=4 621 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [0,1,0,0,0,0|1,0,2]=4 622 B8R0.6 CCSCOC(=O)OC 62a_100000210202_100000139417 [0,1,0,0,0,0|2,0,1]=4 623 B8R0.6 CNC(=O)C=CCOC 11a_106832991635_100016285016 [0,1,0,0,0,0|0,1,0]=2 624 B8R0.6 CNC(=O)C=CCOC 1626a_100102657272_100016285016 [0,1,0,0,0,0|0,1,0]=2 625 B8R0.6 CNC(=O)C=CCOC 240690a_100102657272_100016285016 [0,1,0,0,0,0|0,1,0]=2 626 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [0,1,0,0,0,0|1,0,2]=4 627 B8R0.6 CNC(=O)CCCN[13CH3] 2230a_100000740002_200025704644 [0,1,0,0,0,0|1,0,2]=4 628 B8R0.6 CNC(=O)CCCN[13CH3] 34a_100000740002_200025704644 [0,1,0,0,0,0|1,0,2]=4 629 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [0,1,0,0,0,0|0,1,2]=4 630 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [0,1,0,0,0,0|0,1,2]=4 631 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [0,1,0,0,0,0|0,1,2]=4 632 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [0,1,0,0,0,0|0,1,2]=4 633 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [0,1,0,0,0,0|0,1,2]=4 634 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [0,1,0,0,0,0|0,0,2]=3 635 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [0,1,0,0,0,0|0,0,2]=3 636 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [0,1,0,0,0,0|0,0,2]=3 637 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [0,1,0,0,0,0|0,0,2]=3 638 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [0,1,0,0,0,0|0,0,2]=3 639 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [0,1,0,0,0,0|0,0,2]=3 640 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [0,1,0,0,0,0|0,0,2]=3 641 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [0,1,0,0,0,0|0,0,2]=3 642 B8R0.6 CNC(=O)CCNCF 34a_100000738227_100015361967 [0,1,0,0,0,0|1,0,2]=4 643 B8R0.6 CNC(=O)CCOCF 34a_100000754576_100015361967 [0,1,0,0,0,0|0,1,2]=4 644 B8R0.6 CNC(=O)CCSCF 62a_100000737683_100015361967 [0,1,0,0,0,0|0,0,2]=3 645 B8R0.6 CNC(=O)CCSCF 62a_100015361967_100000737683 [0,1,0,0,0,0|0,0,2]=3 646 B8R0.6 CNC(=O)CNCCF 2230a_100000693194_100011217306 [0,1,0,0,0,0|2,0,1]=4 647 B8R0.6 CNC(=O)CNCCF 34a_100000724931_100000183359 [0,1,0,0,0,0|2,0,1]=4 648 B8R0.6 CNC(=O)CNCCO 2230a_100000693194_100000211926 [0,1,0,0,0,0|2,0,1]=4 649 B8R0.6 CNC(=O)CNCCO 2230a_100016997473_100000183359 [0,1,0,0,0,0|2,0,1]=4 650 B8R0.6 CNC(=O)CNCCO 34a_100016990907_100000183359 [0,1,0,0,0,0|2,0,1]=4 651 B8R0.6 CNC(=O)CNCOC 2230a_100000693194_100000766300 [0,1,0,0,0,0|0,1,2]=4 652 B8R0.6 CNC(=O)CNCSC 2230a_100000693194_100011218213 [0,1,0,0,0,0|0,0,2]=3 653 B8R0.6 CNC(=O)COCCBr 34a_100000211926_100000183359 [0,1,0,0,0,0|2,0,1]=4 654 B8R0.6 CNC(=O)COCCF 34a_100000750040_100011217306 [0,1,0,0,0,0|2,0,1]=4 655 B8R0.6 CNC(=O)COCCN 34a_100000210304_100000183359 [0,1,0,0,0,0|2,0,1]=4 656 B8R0.6 CNC(=O)COCCO 1626a_100102657272_100000708028 [0,1,0,0,0,0|2,0,1]=4 657 B8R0.6 CNC(=O)COCCO 240690a_100102657272_100000708028 [0,1,0,0,0,0|2,0,1]=4 658 B8R0.6 CNC(=O)COCCO 34a_100000750040_100000211926 [0,1,0,0,0,0|2,0,1]=4 659 B8R0.6 CNC(=O)COCSC 34a_100000750040_100011218213 [0,1,0,0,0,0|0,0,2]=3 660 B8R0.6 CNC(=O)CSCCF 62a_100000183359_100011217306 [0,1,0,0,0,0|2,0,1]=4 661 B8R0.6 CNC(=O)CSCCF 62a_100011217306_100000183359 [0,1,0,0,0,0|2,0,1]=4 662 B8R0.6 CNC(=O)CSCCO 62a_100000183359_100000211926 [0,1,0,0,0,0|2,0,1]=4 663 B8R0.6 CNC(=O)CSCCO 62a_100000211926_100000183359 [0,1,0,0,0,0|2,0,1]=4 664 B8R0.6 CNC(=O)CSCOC 62a_100000183359_100000766300 [0,1,0,0,0,0|0,1,2]=4 665 B8R0.6 CNC(=O)CSCOC 62a_100000766300_100000183359 [0,1,0,0,0,0|0,1,2]=4 666 B8R0.6 CNC(=O)CSCSC 62a_100000183359_100011218213 [0,1,0,0,0,0|0,0,2]=3 667 B8R0.6 CNC(=O)CSCSC 62a_100011218213_100000183359 [0,1,0,0,0,0|0,0,2]=3 668 B8R0.6 CNC(=O)NCCCF 2708a_100015189416_106832991635 [0,1,0,0,0,0|2,0,1]=4 669 B8R0.6 CNC(=O)NCCCF 2708a_100102657272_100015189416 [0,1,0,0,0,0|2,0,1]=4 670 B8R0.6 CNC(=O)NCCCF 273464a_100015189416_100102657272 [0,1,0,0,0,0|2,0,1]=4 671 B8R0.6 CNC(=O)NCCCF 273464a_100102657272_100015189416 [0,1,0,0,0,0|2,0,1]=4 672 B8R0.6 CNC(=O)NCCCF 512a_100015189416_100102657272 [0,1,0,0,0,0|2,0,1]=4 673 B8R0.6 CNC(=O)NCCCF 512a_106832991638_100015189416 [0,1,0,0,0,0|2,0,1]=4 674 B8R0.6 CNC(=O)NCCCO 2708a_100102657272_100000182051 [0,1,0,0,0,0|2,0,1]=4 675 B8R0.6 CNC(=O)NCCCO 273464a_100000182051_100102657272 [0,1,0,0,0,0|2,0,1]=4 676 B8R0.6 CNC(=O)NCCCO 273464a_100102657272_100000182051 [0,1,0,0,0,0|2,0,1]=4 677 B8R0.6 CNC(=O)NCCCO 512a_106832991638_100000182051 [0,1,0,0,0,0|2,0,1]=4 678 B8R0.6 CNC(=O)NCCN[13CH3] 34a_100015205895_200025704644 [0,1,0,0,0,0|1,0,2]=4 679 B8R0.6 CNC(=O)NCCOC 2708a_100102657272_100000209980 [0,1,0,0,0,0|0,1,2]=4 680 B8R0.6 CNC(=O)NCCOC 273464a_100000209980_100102657272 [0,1,0,0,0,0|0,1,2]=4 681 B8R0.6 CNC(=O)NCCOC 273464a_100102657272_100000209980 [0,1,0,0,0,0|0,1,2]=4 682 B8R0.6 CNC(=O)NCCSC 2708a_100020590264_106832991635 [0,1,0,0,0,0|0,0,2]=3 683 B8R0.6 CNC(=O)NCCSC 2708a_100102657272_100020590264 [0,1,0,0,0,0|0,0,2]=3 684 B8R0.6 CNC(=O)NCCSC 273464a_100020590264_100102657272 [0,1,0,0,0,0|0,0,2]=3 685 B8R0.6 CNC(=O)NCCSC 273464a_100102657272_100020590264 [0,1,0,0,0,0|0,0,2]=3 686 B8R0.6 CNC(=O)NCCSC 512a_100020590264_100102657272 [0,1,0,0,0,0|0,0,2]=3 687 B8R0.6 CNC(=O)NCCSC 512a_106832991638_100020590264 [0,1,0,0,0,0|0,0,2]=3 688 B8R0.6 CNC(=O)NNCCO 273464a_100102657272_100000210001 [0,1,0,0,0,0|3,0,0]=4 689 B8R0.6 CNC(=O)NNCCO 512a_106832991638_100000210001 [0,1,0,0,0,0|3,0,0]=4 690 B8R0.6 CNC(=O)OCCOC 34a_100138415774_200011997002 [0,1,0,0,0,0|0,1,2]=4 691 B8R0.6 CNC(=O)OCCSC 62a_200000210301_200011997002 [0,1,0,0,0,0|0,0,2]=3 692 B8R0.6 CNC(=O)OCCSC 62a_200011997002_200000210301 [0,1,0,0,0,0|0,0,2]=3 693 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200011997002_200025704644 [0,1,0,0,0,0|0,0,2]=3 694 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200025704644_200011997002 [0,1,0,0,0,0|0,0,2]=3 695 B8R0.6 CNC/C=C/C(=O)OC 2230a_106832991635_100000742655 [0,1,0,0,0,0|2,0,0]=3 696 B8R0.6 CNC/C=C/C(=O)OC 34a_100102657272_100000742655 [0,1,0,0,0,0|2,0,0]=3 697 B8R0.6 CNC/C=C/C(=O)OC 7a_106832991635_100000742655 [0,1,0,0,0,0|2,0,0]=3 698 B8R0.6 CNCCCC(=O)NC 2230a_100000740002_200000210301 [0,1,0,0,0,0|1,0,2]=4 699 B8R0.6 CNCCCC(=O)NC 2230a_106832991635_100000741757 [0,1,0,0,0,0|1,0,2]=4 700 B8R0.6 CNCCCC(=O)NC 34a_100000740002_200000210301 [0,1,0,0,0,0|1,0,2]=4 701 B8R0.6 CNCCCC(=O)NC 34a_100102657272_100000741757 [0,1,0,0,0,0|1,0,2]=4 702 B8R0.6 CNCCCC(=O)NC 7a_106832991635_100000741757 [0,1,0,0,0,0|1,0,2]=4 703 B8R0.6 CNCCNC(=O)NC 34a_100015205895_200000210301 [0,1,0,0,0,0|1,0,2]=4 704 B8R0.6 CNCCOC(=O)NC 34a_100102657272_200011997002 [0,1,0,0,0,0|1,0,2]=4 705 B8R0.6 CNCCOC(=O)NC 7a_106832991635_200011997002 [0,1,0,0,0,0|1,0,2]=4 706 B8R0.6 COC(=O)/C=C/CSC 62a_100000742655_200000210301 [0,1,0,0,0,0|1,0,0]=2 707 B8R0.6 COC(=O)/C=C/CSC 62a_200000210301_100000742655 [0,1,0,0,0,0|1,0,0]=2 708 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_100000742655_200025704644 [0,1,0,0,0,0|1,0,0]=2 709 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_200025704644_100000742655 [0,1,0,0,0,0|1,0,0]=2 710 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [0,1,0,0,0,0|1,0,2]=4 711 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [0,1,0,0,0,0|1,0,2]=4 712 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [0,1,0,0,0,0|1,0,2]=4 713 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [0,1,0,0,0,0|1,0,2]=4 714 B8R0.6 COC(=O)CCSCF 62a_100000204255_100015361967 [0,1,0,0,0,0|1,0,2]=4 715 B8R0.6 COC(=O)CCSCF 62a_100015361967_100000204255 [0,1,0,0,0,0|1,0,2]=4 716 B8R0.6 COC(=O)CSCSC 62a_100000747449_100011218213 [0,1,0,0,0,0|1,0,2]=4 717 B8R0.6 COC(=O)CSCSC 62a_100011218213_100000747449 [0,1,0,0,0,0|1,0,2]=4 718 B8R0.6 COC(=O)OCSCF 62a_100015361967_100000139417 [0,1,0,0,0,0|2,0,1]=4 719 B8R0.6 COC/C=C/C(=O)OC 34a_100138415774_100000742655 [0,1,0,0,0,0|1,1,0]=3 720 B8R0.6 COCC=CC(=O)CF 1458a_100016285016_100015361967 [0,1,0,0,0,0|2,1,0]=4 721 B8R0.8 C/C=C/CC(=O)C(C)C 1458a_100000210198_100102629194 [0,1,0,0,0,0|2,0,1]=4 722 B8R0.8 C/C=C/CC(=O)C(C)F 1458a_100000062450_100102629194 [0,1,0,0,0,0|2,0,1]=4 723 B8R0.8 C/C=C/CC(=O)[C@@H](C)O 1458a_100000717761_100102629194 [0,1,0,0,0,0|2,0,1]=4 724 B8R0.8 C/C=C/CC(=O)[C@H](C)O 1458a_217856618621_100102629194 [0,1,0,0,0,0|2,0,1]=4 725 B8R0.8 C=C(C)C(=O)C/C=C/C 1458a_100000185857_100102629194 [0,1,0,0,0,0|2,0,1]=4 726 B8R0.8 C=C(C)C(=O)CC=CC 1458a_100000185857_100000070051 [0,1,0,0,0,0|2,0,1]=4 727 B8R0.8 C=C(C)C(=O)CCSC 1458a_100000185857_100000751147 [0,1,0,0,0,0|1,0,2]=4 728 B8R0.8 C=CC=CC(=O)C(C)C 1458a_100016291481_100000210206 [0,1,0,0,0,0|2,0,1]=4 729 B8R0.8 C=CC=CC(=O)N(C)C 1626a_100102631434_100016291481 [0,1,0,0,0,0|1,0,1]=3 730 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_100000139345_200025704644 [0,1,0,0,0,0|2,0,1]=4 731 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_200025704644_100000139345 [0,1,0,0,0,0|2,0,1]=4 732 B8R0.8 CC=CCC(=O)C(C)C 1458a_100000210198_100000070051 [0,1,0,0,0,0|2,0,1]=4 733 B8R0.8 CC=CCC(=O)C(C)C 1458a_100121576822_100000210206 [0,1,0,0,0,0|2,0,1]=4 734 B8R0.8 CC=CCC(=O)C(C)F 1458a_100000062450_100000070051 [0,1,0,0,0,0|2,0,1]=4 735 B8R0.8 CC=CCC(=O)N(C)C 11a_100102631434_100121576822 [0,1,0,0,0,0|1,0,1]=3 736 B8R0.8 CC=CCC(=O)N(C)C 1626a_100102631434_100121576822 [0,1,0,0,0,0|1,0,1]=3 737 B8R0.8 CC=CCC(=O)N(C)C 240690a_100102631434_100121576822 [0,1,0,0,0,0|1,0,1]=3 738 B8R0.8 CC=CCC(=O)N(C)C 527a_100102631434_100121576822 [0,1,0,0,0,0|1,0,1]=3 739 B8R0.8 CC=CCC(=O)[C@@H](C)O 1458a_100000717761_100000070051 [0,1,0,0,0,0|2,0,1]=4 740 B8R0.8 CC=CCC(=O)[C@H](C)O 1458a_217856618621_100000070051 [0,1,0,0,0,0|2,0,1]=4 741 B8R0.8 CCC=CC(=O)C(C)C 1458a_100000212282_100000210206 [0,1,0,0,0,0|2,0,0]=3 742 B8R0.8 CCC=CC(=O)N(C)C 11a_100102631434_100000212282 [0,1,0,0,0,0|1,0,0]=2 743 B8R0.8 CCC=CC(=O)N(C)C 1626a_100102631434_100000212282 [0,1,0,0,0,0|1,0,0]=2 744 B8R0.8 CCC=CC(=O)N(C)C 240690a_100102631434_100000212282 [0,1,0,0,0,0|1,0,0]=2 745 B8R0.8 CCCCC(=O)N(C)C 11a_100102631434_100000210183 [0,1,0,0,0,0|1,0,2]=4 746 B8R0.8 CCCCC(=O)N(C)C 1626a_100102631434_100000210183 [0,1,0,0,0,0|1,0,2]=4 747 B8R0.8 CCCCC(=O)N(C)C 240690a_100102631434_100000210183 [0,1,0,0,0,0|1,0,2]=4 748 B8R0.8 CCCCC(=O)N(C)C 527a_100102631434_100000210183 [0,1,0,0,0,0|1,0,2]=4 749 B8R0.8 CCCNC(=O)N(C)C 2708a_100020643023_100102631434 [0,1,0,0,0,0|2,0,1]=4 750 B8R0.8 CCNCC(=O)N(C)C 2230a_100015183351_100000210202 [0,1,0,0,0,0|2,0,1]=4 751 B8R0.8 CCNCC(=O)N(C)C 2230a_100015525214_100000185267 [0,1,0,0,0,0|2,0,1]=4 752 B8R0.8 CCOCC(=O)N(C)C 11a_100102631434_100000211967 [0,1,0,0,0,0|2,0,1]=4 753 B8R0.8 CCOCC(=O)N(C)C 1626a_100102631434_100000211967 [0,1,0,0,0,0|2,0,1]=4 754 B8R0.8 CCOCC(=O)N(C)C 240690a_100102631434_100000211967 [0,1,0,0,0,0|2,0,1]=4 755 B8R0.8 CCOCC(=O)N(C)C 34a_100121572206_100000692301 [0,1,0,0,0,0|2,0,1]=4 756 B8R0.8 CCOCC(=O)N(C)C 527a_100102631434_100000211967 [0,1,0,0,0,0|2,0,1]=4 757 B8R0.8 CCSCC(=O)N(C)C 11a_100102631434_100000230394 [0,1,0,0,0,0|2,0,1]=4 758 B8R0.8 CCSCC(=O)N(C)C 1626a_100102631434_100000230394 [0,1,0,0,0,0|2,0,1]=4 759 B8R0.8 CCSCC(=O)N(C)C 240690a_100102631434_100000230394 [0,1,0,0,0,0|2,0,1]=4 760 B8R0.8 CCSCC(=O)N(C)C 527a_100102631434_100000230394 [0,1,0,0,0,0|2,0,1]=4 761 B8R0.8 CCSCC(=O)N(C)C 62a_100000210202_100000692301 [0,1,0,0,0,0|2,0,1]=4 762 B8R0.8 CCSCC(=O)N(C)C 62a_100000692301_100000210202 [0,1,0,0,0,0|2,0,1]=4 763 B8R0.8 CN(C)C(=O)CCN[13CH3] 2230a_100000738053_200025704644 [0,1,0,0,0,0|1,0,2]=4 764 B8R0.8 CN(C)C(=O)CCO[13CH3] 34a_200000747469_200025704644 [0,1,0,0,0,0|0,1,2]=4 765 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_100000737620_200025704644 [0,1,0,0,0,0|0,0,2]=3 766 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_200025704644_100000737620 [0,1,0,0,0,0|0,0,2]=3 767 B8R0.8 CNCCC(=O)N(C)C 2230a_100000738053_200000210301 [0,1,0,0,0,0|1,0,2]=4 768 B8R0.8 CNCCC(=O)N(C)C 2230a_106832991635_100000737620 [0,1,0,0,0,0|1,0,2]=4 769 B8R0.8 CNCCC(=O)N(C)C 7a_106832991635_100000737620 [0,1,0,0,0,0|1,0,2]=4 770 B8R0.8 COC=CC(=O)C(C)C 1458a_100016268678_100000210206 [0,1,0,0,0,0|1,1,0]=3 771 B8R0.8 COC=CC(=O)N(C)C 1626a_100102631434_100016268678 [0,1,0,0,0,0|0,1,0]=2 772 B8R0.8 COC=CC(=O)N(C)C 240690a_100102631434_100016268678 [0,1,0,0,0,0|0,1,0]=2 773 B8R0.8 COCCC(=O)N(C)C 11a_100102631434_100000749529 [0,1,0,0,0,0|0,1,2]=4 774 B8R0.8 COCCC(=O)N(C)C 1626a_100102631434_100000749529 [0,1,0,0,0,0|0,1,2]=4 775 B8R0.8 COCCC(=O)N(C)C 240690a_100102631434_100000749529 [0,1,0,0,0,0|0,1,2]=4 776 B8R0.8 COCCC(=O)N(C)C 34a_200000747469_200000210301 [0,1,0,0,0,0|0,1,2]=4 777 B8R0.8 COCCC(=O)N(C)C 527a_100102631434_100000749529 [0,1,0,0,0,0|0,1,2]=4 778 B8R0.8 CSCCC(=O)C(C)C 1458a_100000174002_100000210206 [0,1,0,0,0,0|1,0,2]=4 779 B8R0.8 CSCCC(=O)C(C)C 1458a_100000210198_100000751147 [0,1,0,0,0,0|1,0,2]=4 780 B8R0.8 CSCCC(=O)C(C)F 1458a_100000062450_100000751147 [0,1,0,0,0,0|1,0,2]=4 781 B8R0.8 CSCCC(=O)N(C)C 11a_100102631434_100000174002 [0,1,0,0,0,0|0,0,2]=3 782 B8R0.8 CSCCC(=O)N(C)C 1626a_100102631434_100000174002 [0,1,0,0,0,0|0,0,2]=3 783 B8R0.8 CSCCC(=O)N(C)C 240690a_100102631434_100000174002 [0,1,0,0,0,0|0,0,2]=3 784 B8R0.8 CSCCC(=O)N(C)C 527a_100102631434_100000174002 [0,1,0,0,0,0|0,0,2]=3 785 B8R0.8 CSCCC(=O)N(C)C 62a_100000737620_200000210301 [0,1,0,0,0,0|0,0,2]=3 786 B8R0.8 CSCCC(=O)N(C)C 62a_200000210301_100000737620 [0,1,0,0,0,0|0,0,2]=3 787 B8R0.8 CSCCC(=O)[C@@H](C)O 1458a_100000717761_100000751147 [0,1,0,0,0,0|1,0,2]=4 788 B8R0.8 CSCCC(=O)[C@H](C)O 1458a_217856618621_100000751147 [0,1,0,0,0,0|1,0,2]=4 789 B8R0.8 CSCOC(=O)C(C)C 62a_100000139345_200000210301 [0,1,0,0,0,0|2,0,1]=4 790 B8R0.8 CSCOC(=O)C(C)C 62a_200000210301_100000139345 [0,1,0,0,0,0|2,0,1]=4 791 B8R0.9 C=C(C)CCC(=O)NC 11a_106832991635_200000688413 [0,1,0,0,0,0|1,0,2]=4 792 B8R0.9 C=C(C)CCC(=O)NC 1626a_100102657272_200000688413 [0,1,0,0,0,0|1,0,2]=4 793 B8R0.9 C=C(C)CCC(=O)NC 240690a_100102657272_200000688413 [0,1,0,0,0,0|1,0,2]=4 794 B8R0.9 C=C(C)CCC(=O)NC 527a_100102657272_200000688413 [0,1,0,0,0,0|1,0,2]=4 795 B8R0.9 C=C(C)CNC(=O)NC 2708a_100000765925_106832991635 [0,1,0,0,0,0|2,0,1]=4 796 B8R0.9 C=C(C)CNC(=O)NC 2708a_100102657272_100000765925 [0,1,0,0,0,0|2,0,1]=4 797 B8R0.9 C=C(C)CNC(=O)NC 273464a_100000765925_100102657272 [0,1,0,0,0,0|2,0,1]=4 798 B8R0.9 C=C(C)CNC(=O)NC 273464a_100102657272_100000765925 [0,1,0,0,0,0|2,0,1]=4 799 B8R0.9 C=C(C)CNC(=O)NC 512a_100000765925_100102657272 [0,1,0,0,0,0|2,0,1]=4 800 B8R0.9 C=C(C)CNC(=O)NC 512a_106832991638_100000765925 [0,1,0,0,0,0|2,0,1]=4 801 B8R0.9 CC(C)C=CC(=O)CF 1458a_100016268746_100015361967 [0,1,0,0,0,0|3,0,0]=4 802 B8R0.9 CC=C(C)C=CC(=O)C 1458a_100000692105_200000210301 [0,1,0,0,0,0|3,0,0]=4 803 B8R0.9 CC=C(C)C=CC(=O)[13CH3] 1458a_100000692105_200025704644 [0,1,0,0,0,0|3,0,0]=4 804 B8R0.9 CCC(=O)C=CC(C)C 1458a_100016268746_100000210202 [0,1,0,0,0,0|2,0,0]=3 805 B8R0.9 CCC(=O)CC=C(C)C 1458a_100000210414_100000761012 [0,1,0,0,0,0|2,0,1]=4 806 B8R0.9 CCC(=O)CC=C(C)C 1458a_100011220947_100000210202 [0,1,0,0,0,0|2,0,1]=4 807 B8R0.9 CNC(=O)C=CC(=O)C 1458a_100016259477_200000210301 [0,1,0,0,0,0|1,0,0]=2 808 B8R0.9 CNC(=O)C=CC(=O)[13CH3] 1458a_100016259477_200025704644 [0,1,0,0,0,0|1,0,0]=2 809 B8R0.9 CNC(=O)C=CC(C)C 11a_106832991635_100016268746 [0,1,0,0,0,0|1,0,0]=2 810 B8R0.9 CNC(=O)C=CC(C)C 1626a_100102657272_100016268746 [0,1,0,0,0,0|1,0,0]=2 811 B8R0.9 CNC(=O)C=CC(C)C 240690a_100102657272_100016268746 [0,1,0,0,0,0|1,0,0]=2 812 B8R0.9 CNC(=O)CC=C(C)C 11a_106832991635_100011220947 [0,1,0,0,0,0|1,0,1]=3 813 B8R0.9 CNC(=O)CC=C(C)C 1626a_100102657272_100011220947 [0,1,0,0,0,0|1,0,1]=3 814 B8R0.9 CNC(=O)CC=C(C)C 240690a_100102657272_100011220947 [0,1,0,0,0,0|1,0,1]=3 815 B8R0.9 CNC(=O)CC=C(C)C 527a_100102657272_100011220947 [0,1,0,0,0,0|1,0,1]=3 816 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [0,1,0,0,0,0|1,0,2]=4 817 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [0,1,0,0,0,0|1,0,2]=4 818 B8R0.9 CNC(=O)CCC(C)C 11a_106832991635_100000181311 [0,1,0,0,0,0|1,0,2]=4 819 B8R0.9 CNC(=O)CCC(C)C 1626a_100102657272_100000181311 [0,1,0,0,0,0|1,0,2]=4 820 B8R0.9 CNC(=O)CCC(C)C 240690a_100102657272_100000181311 [0,1,0,0,0,0|1,0,2]=4 821 B8R0.9 CNC(=O)CCC(C)C 527a_100102657272_100000181311 [0,1,0,0,0,0|1,0,2]=4 822 B8R0.9 CNC(=O)CCC(C)O 1626a_100102657272_100000718519 [0,1,0,0,0,0|1,0,2]=4 823 B8R0.9 CNC(=O)CCN(C)C 11a_106832991635_100000689311 [0,1,0,0,0,0|1,0,2]=4 824 B8R0.9 CNC(=O)CCN(C)C 2230a_100000750875_200000210301 [0,1,0,0,0,0|1,0,2]=4 825 B8R0.9 CNC(=O)CCN(C)C 2230a_100102631434_100000737683 [0,1,0,0,0,0|1,0,2]=4 826 B8R0.9 CNC(=O)CCN(C)C 240690a_100102657272_100000689311 [0,1,0,0,0,0|1,0,2]=4 827 B8R0.9 CNC(=O)CCN(C)C 269982a_100000750875_200000210301 [0,1,0,0,0,0|1,0,2]=4 828 B8R0.9 CNC(=O)CCN(C)C 269982a_100102631434_100000737683 [0,1,0,0,0,0|1,0,2]=4 829 B8R0.9 CNC(=O)CCN(C)C 527a_100102657272_100000689311 [0,1,0,0,0,0|1,0,2]=4 830 B8R0.9 CNC(=O)CCN(C)[13CH3] 2230a_100000750875_200025704644 [0,1,0,0,0,0|1,0,2]=4 831 B8R0.9 CNC(=O)CCN(C)[13CH3] 269982a_100000750875_200025704644 [0,1,0,0,0,0|1,0,2]=4 832 B8R0.9 CNC(=O)CC[S+](C)C 11a_106832991635_100009452791 [0,1,0,0,0,0|0,0,3]=4 833 B8R0.9 CNC(=O)CC[S+](C)C 1626a_100102657272_100009452791 [0,1,0,0,0,0|0,0,3]=4 834 B8R0.9 CNC(=O)CC[S+](C)C 240690a_100102657272_100009452791 [0,1,0,0,0,0|0,0,3]=4 835 B8R0.9 CNC(=O)CNC(=O)C 11a_100000693194_100015343762 [0,1,0,0,0,0|2,0,1]=4 836 B8R0.9 CNC(=O)CNC(=O)C 11a_106832991635_100000194580 [0,1,0,0,0,0|2,0,1]=4 837 B8R0.9 CNC(=O)CNC(=O)C 1626a_100102657272_100000194580 [0,1,0,0,0,0|2,0,1]=4 838 B8R0.9 CNC(=O)CNC(=O)C 240690a_100000693194_100015343762 [0,1,0,0,0,0|2,0,1]=4 839 B8R0.9 CNC(=O)CNC(=O)C 240690a_100102657272_100000194580 [0,1,0,0,0,0|2,0,1]=4 840 B8R0.9 CNC(=O)CNC(=O)C 527a_100000693194_100103153847 [0,1,0,0,0,0|2,0,1]=4 841 B8R0.9 CNC(=O)CNC(=O)C 527a_100102657272_100000194580 [0,1,0,0,0,0|2,0,1]=4 842 B8R0.9 CNC(=O)CNC(C)C 2230a_100000693194_100000210206 [0,1,0,0,0,0|2,0,1]=4 843 B8R0.9 CNC(=O)CNC(C)C 2230a_100138425928_100000183359 [0,1,0,0,0,0|2,0,1]=4 844 B8R0.9 CNC(=O)CNC(C)C 34a_100138425928_100000183359 [0,1,0,0,0,0|2,0,1]=4 845 B8R0.9 CNC(=O)COC(=O)C 1626a_100102657272_100000183556 [0,1,0,0,0,0|2,0,1]=4 846 B8R0.9 CNC(=O)COC(=O)C 240690a_100102657272_100000183556 [0,1,0,0,0,0|2,0,1]=4 847 B8R0.9 CNC(=O)COC(=O)C 527a_100102657272_100000183556 [0,1,0,0,0,0|2,0,1]=4 848 B8R0.9 CNC(=O)COC(C)C 11a_106832991635_100000745533 [0,1,0,0,0,0|2,0,1]=4 849 B8R0.9 CNC(=O)COC(C)C 1626a_100102657272_100000745533 [0,1,0,0,0,0|2,0,1]=4 850 B8R0.9 CNC(=O)COC(C)C 240690a_100102657272_100000745533 [0,1,0,0,0,0|2,0,1]=4 851 B8R0.9 CNC(=O)COC(C)C 34a_100000212225_100000183359 [0,1,0,0,0,0|2,0,1]=4 852 B8R0.9 CNC(=O)COC(C)C 34a_100000750040_100000210206 [0,1,0,0,0,0|2,0,1]=4 853 B8R0.9 CNC(=O)COC(C)C 527a_100102657272_100000745533 [0,1,0,0,0,0|2,0,1]=4 854 B8R0.9 CNC(=O)CSC(=O)C 11a_106832991635_100000049016 [0,1,0,0,0,0|2,0,1]=4 855 B8R0.9 CNC(=O)CSC(=O)C 1626a_100102657272_100000049016 [0,1,0,0,0,0|2,0,1]=4 856 B8R0.9 CNC(=O)CSC(=O)C 240690a_100102657272_100000049016 [0,1,0,0,0,0|2,0,1]=4 857 B8R0.9 CNC(=O)CSC(C)C 11a_106832991635_100000241585 [0,1,0,0,0,0|2,0,1]=4 858 B8R0.9 CNC(=O)CSC(C)C 1626a_100102657272_100000241585 [0,1,0,0,0,0|2,0,1]=4 859 B8R0.9 CNC(=O)CSC(C)C 240690a_100102657272_100000241585 [0,1,0,0,0,0|2,0,1]=4 860 B8R0.9 CNC(=O)CSC(C)C 527a_100102657272_100000241585 [0,1,0,0,0,0|2,0,1]=4 861 B8R0.9 CNC(=O)CSC(C)C 62a_100000183359_100000210206 [0,1,0,0,0,0|2,0,1]=4 862 B8R0.9 CNC(=O)CSC(C)C 62a_100000210206_100000183359 [0,1,0,0,0,0|2,0,1]=4 863 B8R0.9 CNC(=O)NCC(C)C 2708a_100000210953_106832991635 [0,1,0,0,0,0|2,0,1]=4 864 B8R0.9 CNC(=O)NCC(C)C 2708a_100102657272_100000210953 [0,1,0,0,0,0|2,0,1]=4 865 B8R0.9 CNC(=O)NCC(C)C 273464a_100000210953_100102657272 [0,1,0,0,0,0|2,0,1]=4 866 B8R0.9 CNC(=O)NCC(C)C 273464a_100102657272_100000210953 [0,1,0,0,0,0|2,0,1]=4 867 B8R0.9 CNC(=O)NCC(C)C 512a_100000210953_100102657272 [0,1,0,0,0,0|2,0,1]=4 868 B8R0.9 CNC(=O)NCC(C)C 512a_106832991638_100000210953 [0,1,0,0,0,0|2,0,1]=4 869 B8R0.9 CNC(=O)NCC(C)O 2708a_100102657272_100000210904 [0,1,0,0,0,0|2,0,1]=4 870 B8R0.9 CNC(=O)NCC(C)O 273464a_100000210904_100102657272 [0,1,0,0,0,0|2,0,1]=4 871 B8R0.9 CNC(=O)NCC(C)O 273464a_100102657272_100000210904 [0,1,0,0,0,0|2,0,1]=4 872 B8R0.9 CNC(=O)NCC(C)O 512a_100000210904_100102657272 [0,1,0,0,0,0|2,0,1]=4 873 B8R0.9 CNC(=O)NCC(C)O 512a_106832991638_100000210904 [0,1,0,0,0,0|2,0,1]=4 874 B8R0.9 CNC(=O)NNC(=O)C 273464a_100102657272_100000189765 [0,1,0,0,0,0|3,0,0]=4 875 B8R0.9 CNC(=O)NNC(=O)C 512a_100000189765_100102657272 [0,1,0,0,0,0|3,0,0]=4 876 B8R0.9 CNC(=O)NNC(C)C 273464a_100102657272_100000741168 [0,1,0,0,0,0|3,0,0]=4 877 B8R0.9 CNC(=O)NNC(C)C 512a_100000741168_100102657272 [0,1,0,0,0,0|3,0,0]=4 878 B8R0.9 CNC(=O)NNC(C)C 512a_106832991638_100000741168 [0,1,0,0,0,0|3,0,0]=4 879 B8R0.19 C#CC(=O)CC(=O)NC 1458a_100000211873_100000183359 [0,1,0,0,0,0|1,0,2]=4 880 B8R0.19 C=CC(=O)CC(=O)NC 1458a_100000185746_100000183359 [0,1,0,0,0,0|1,0,2]=4 881 B8R0.19 CCC(=CC(=O)CF)C 1458a_100020758463_100015361967 [0,1,0,0,0,0|3,0,0]=4 882 B8R0.19 CCC(=CC(=O)NC)C 11a_106832991635_100020758463 [0,1,0,0,0,0|1,0,0]=2 883 B8R0.19 CCC(=CC(=O)NC)C 1626a_100102657272_100020758463 [0,1,0,0,0,0|1,0,0]=2 884 B8R0.19 CCC(=CC(=O)NC)C 240690a_100102657272_100020758463 [0,1,0,0,0,0|1,0,0]=2 885 B8R0.19 CCC(=O)C=C(C)CC 1458a_100020758463_100000210202 [0,1,0,0,0,0|2,0,0]=3 886 B8R0.19 CCC(=O)CC(=O)CC 1458a_100000210414_100000747405 [0,1,0,0,0,0|2,0,1]=4 887 B8R0.19 CCC(=O)CC(=O)NC 1458a_100000210414_100000183359 [0,1,0,0,0,0|1,0,1]=3 888 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000210414_100000747449 [0,1,0,0,0,0|1,1,1]=4 889 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000211351_100000210202 [0,1,0,0,0,0|1,1,1]=4 890 B8R0.19 CCC(C)CC(=O)NC 11a_106832991635_100000708755 [0,1,0,0,0,0|1,0,2]=4 891 B8R0.19 CCC(C)CC(=O)NC 1626a_100102657272_100000708755 [0,1,0,0,0,0|1,0,2]=4 892 B8R0.19 CCC(C)CC(=O)NC 240690a_100102657272_100000708755 [0,1,0,0,0,0|1,0,2]=4 893 B8R0.19 CCC(C)CC(=O)NC 527a_100102657272_100000708755 [0,1,0,0,0,0|1,0,2]=4 894 B8R0.19 CCC(C)NC(=O)NC 2708a_100000209981_106832991635 [0,1,0,0,0,0|2,0,1]=4 895 B8R0.19 CCC(C)NC(=O)NC 2708a_100102657272_100000209981 [0,1,0,0,0,0|2,0,1]=4 896 B8R0.19 CCC(C)NC(=O)NC 273464a_100000209981_100102657272 [0,1,0,0,0,0|2,0,1]=4 897 B8R0.19 CCC(C)NC(=O)NC 273464a_100102657272_100000209981 [0,1,0,0,0,0|2,0,1]=4 898 B8R0.19 CCC(C)NC(=O)NC 512a_100000209981_100102657272 [0,1,0,0,0,0|2,0,1]=4 899 B8R0.19 CCC(C)NC(=O)NC 512a_106832991638_100000209981 [0,1,0,0,0,0|2,0,1]=4 900 B8R0.19 CCC(O)CC(=O)NC 1626a_100102657272_100011667805 [0,1,0,0,0,0|1,0,2]=4 901 B8R0.19 CCC(O)CC(=O)NC 240690a_100102657272_100011667805 [0,1,0,0,0,0|1,0,2]=4 902 B8R0.19 CCN(C)CC(=O)NC 2230a_100000189611_100000210202 [0,1,0,0,0,0|2,0,1]=4 903 B8R0.19 CCN(C)CC(=O)NC 2230a_100000225621_100000183359 [0,1,0,0,0,0|2,0,1]=4 904 B8R0.19 CCN(C)CC(=O)NC 240690a_100102657272_100116209913 [0,1,0,0,0,0|2,0,1]=4 905 B8R0.19 CCN(C)CC(=O)NC 269982a_100000225621_100000183359 [0,1,0,0,0,0|2,0,1]=4 906 B8R0.19 CCN(C)CC(=O)NC 527a_100102657272_100116209913 [0,1,0,0,0,0|2,0,1]=4 907 B8R0.19 CNC(=O)CC(=O)CO 1458a_100000210174_100000183359 [0,1,0,0,0,0|2,0,1]=4 908 B8R0.19 CNC(=O)CC(=O)OC 240690a_100102657272_100000211351 [0,1,0,0,0,0|0,1,1]=3 909 B8R0.19 COC(=O)CC(C)SC 62a_100009817358_200000210301 [0,1,0,0,0,0|1,0,2]=4 910 B8R0.19 COC(=O)CC(C)SC 62a_200000210301_100009817358 [0,1,0,0,0,0|1,0,2]=4 911 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_100009817358_200025704644 [0,1,0,0,0,0|1,0,2]=4 912 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_200025704644_100009817358 [0,1,0,0,0,0|1,0,2]=4 913 B8R1.1 CCN1CNC(=O)C1 2230a_200000708111_100000210202 [0,0,0,1,0,0|2,0,1]=4 914 B8R1.1 CNC1CNC(=O)C1 2230a_100000697751_200000210301 [0,0,0,1,0,0|1,0,2]=4 915 B8R1.1 COC1CNC(=O)C1 34a_100000690082_200000210301 [0,0,0,1,0,0|0,1,2]=4 916 B8R1.1 COc1ccn(n1)C 34a_100012642153_200000210301 [0,0,0,1,0,0|3,0,0]=4 917 B8R1.1 CSC1COC(=O)O1 62a_200000210301_100000032252 [0,0,0,1,0,0|2,0,1]=4 918 B8R1.1 CSc1c[nH]c(n1)C 62a_100009814057_200000210301 [0,0,0,1,0,0|2,0,1]=4 919 B8R1.1 CSc1c[nH]c(n1)C 62a_200000210301_100009814057 [0,0,0,1,0,0|2,0,1]=4 920 B8R1.1 CSc1cc([nH]n1)C 62a_100009819999_200000210301 [0,0,0,1,0,0|2,0,0]=3 921 B8R1.1 CSc1cc([nH]n1)C 62a_200000210301_100009819999 [0,0,0,1,0,0|2,0,0]=3 922 B8R1.1 CSc1cc([nH]n1)N 62a_100009822546_200000210301 [0,0,0,1,0,0|2,0,0]=3 923 B8R1.1 CSc1cc([nH]n1)N 62a_200000210301_100009822546 [0,0,0,1,0,0|2,0,0]=3 924 B8R1.1 CSc1cc(cs1)C 62a_100009876951_200000210301 [0,0,0,1,0,0|3,0,0]=4 925 B8R1.1 CSc1cc(cs1)C 62a_200000210301_100009876951 [0,0,0,1,0,0|3,0,0]=4 926 B8R1.1 CSc1cc(cs1)O 271570a_203496583355_200010256830 [0,0,0,1,0,0|2,0,1]=4 927 B8R1.1 CSc1cc(n[nH]1)Br 62a_100160470719_200000210301 [0,0,0,1,0,0|2,0,1]=4 928 B8R1.1 CSc1cc(n[nH]1)Br 62a_200000210301_100160470719 [0,0,0,1,0,0|2,0,1]=4 929 B8R1.1 CSc1cc(ns1)C 62a_100009815735_200000210301 [0,0,0,1,0,0|2,0,1]=4 930 B8R1.1 CSc1cc(ns1)C 62a_200000210301_100009815735 [0,0,0,1,0,0|2,0,1]=4 931 B8R1.1 CSc1cc(on1)C 62a_100000716708_200000210301 [0,0,0,1,0,0|3,0,0]=4 932 B8R1.1 CSc1cc(on1)C 62a_200000210301_100000716708 [0,0,0,1,0,0|3,0,0]=4 933 B8R1.1 CSc1ccc(s1)C 62a_100000031368_200000210301 [0,0,0,1,0,0|2,1,0]=4 934 B8R1.1 CSc1ccc(s1)C 62a_200000210301_100000031368 [0,0,0,1,0,0|2,1,0]=4 935 B8R1.1 CSc1ccn(n1)C 62a_100000752436_200000210301 [0,0,0,1,0,0|3,0,0]=4 936 B8R1.1 CSc1ccn(n1)C 62a_200000210301_100000752436 [0,0,0,1,0,0|3,0,0]=4 937 B8R1.1 CSc1csc(c1)C 62a_100000759034_200000210301 [0,0,0,1,0,0|2,0,1]=4 938 B8R1.1 CSc1csc(c1)C 62a_200000210301_100000759034 [0,0,0,1,0,0|2,0,1]=4 939 B8R1.1 CSc1n[nH]c(n1)C 62a_100000732540_200000210301 [0,0,0,1,0,0|3,0,0]=4 940 B8R1.1 CSc1n[nH]c(n1)C 62a_200000210301_100000732540 [0,0,0,1,0,0|3,0,0]=4 941 B8R1.1 CSc1n[nH]c(n1)N 62a_100015184587_200000210301 [0,0,0,1,0,0|3,0,0]=4 942 B8R1.1 CSc1n[nH]c(n1)N 62a_200000210301_100015184587 [0,0,0,1,0,0|3,0,0]=4 943 B8R1.1 Cc1cc(cs1)S[13CH3] 62a_100000759034_200025704644 [0,0,0,1,0,0|2,0,1]=4 944 B8R1.1 Cc1cc(cs1)S[13CH3] 62a_200025704644_100000759034 [0,0,0,1,0,0|2,0,1]=4 945 B8R1.1 Cc1cc(n[nH]1)S[13CH3] 62a_100009819999_200025704644 [0,0,0,1,0,0|2,0,0]=3 946 B8R1.1 Cc1cc(n[nH]1)S[13CH3] 62a_200025704644_100009819999 [0,0,0,1,0,0|2,0,0]=3 947 B8R1.1 Cc1cc(no1)S[13CH3] 62a_100000716708_200025704644 [0,0,0,1,0,0|3,0,0]=4 948 B8R1.1 Cc1cc(no1)S[13CH3] 62a_200025704644_100000716708 [0,0,0,1,0,0|3,0,0]=4 949 B8R1.1 Cc1cc(sn1)S[13CH3] 62a_100009815735_200025704644 [0,0,0,1,0,0|2,0,1]=4 950 B8R1.1 Cc1cc(sn1)S[13CH3] 62a_200025704644_100009815735 [0,0,0,1,0,0|2,0,1]=4 951 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_100000031368_200025704644 [0,0,0,1,0,0|2,1,0]=4 952 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_200025704644_100000031368 [0,0,0,1,0,0|2,1,0]=4 953 B8R1.1 Cc1csc(c1)S[13CH3] 62a_100009876951_200025704644 [0,0,0,1,0,0|3,0,0]=4 954 B8R1.1 Cc1csc(c1)S[13CH3] 62a_200025704644_100009876951 [0,0,0,1,0,0|3,0,0]=4 955 B8R1.1 Cc1nc(c[nH]1)S[13CH3] 62a_100009814057_200025704644 [0,0,0,1,0,0|2,0,1]=4 956 B8R1.1 Cc1nc(c[nH]1)S[13CH3] 62a_200025704644_100009814057 [0,0,0,1,0,0|2,0,1]=4 957 B8R1.1 Cc1nc(n[nH]1)S[13CH3] 62a_100000732540_200025704644 [0,0,0,1,0,0|3,0,0]=4 958 B8R1.1 Cc1nc(n[nH]1)S[13CH3] 62a_200025704644_100000732540 [0,0,0,1,0,0|3,0,0]=4 959 B8R1.1 Cn1ccc(n1)O[13CH3] 34a_100012642153_200025704644 [0,0,0,1,0,0|3,0,0]=4 960 B8R1.1 Cn1ccc(n1)S[13CH3] 62a_100000752436_200025704644 [0,0,0,1,0,0|3,0,0]=4 961 B8R1.1 Cn1ccc(n1)S[13CH3] 62a_200025704644_100000752436 [0,0,0,1,0,0|3,0,0]=4 962 B8R1.1 [13CH3]NC1CNC(=O)C1 2230a_100000697751_200025704644 [0,0,0,1,0,0|1,0,2]=4 963 B8R1.1 [13CH3]OC1CNC(=O)C1 34a_100000690082_200025704644 [0,0,0,1,0,0|0,1,2]=4 964 B8R1.1 [13CH3]SC1COC(=O)O1 62a_200025704644_100000032252 [0,0,0,1,0,0|2,0,1]=4 965 B8R1.1 [13CH3]Sc1cc([nH]n1)N 62a_100009822546_200025704644 [0,0,0,1,0,0|2,0,0]=3 966 B8R1.1 [13CH3]Sc1cc([nH]n1)N 62a_200025704644_100009822546 [0,0,0,1,0,0|2,0,0]=3 967 B8R1.1 [13CH3]Sc1cc(n[nH]1)Br 62a_100160470719_200025704644 [0,0,0,1,0,0|2,0,1]=4 968 B8R1.1 [13CH3]Sc1cc(n[nH]1)Br 62a_200025704644_100160470719 [0,0,0,1,0,0|2,0,1]=4 969 B8R1.1 [13CH3]Sc1n[nH]c(n1)N 62a_100015184587_200025704644 [0,0,0,1,0,0|3,0,0]=4 970 B8R1.1 [13CH3]Sc1n[nH]c(n1)N 62a_200025704644_100015184587 [0,0,0,1,0,0|3,0,0]=4 971 B8R1.2 CNC1C=CCCC1 2230a_106832991635_100000751183 [0,0,0,1,0,0|2,0,1]=4 972 B8R1.2 CNC1C=CCCC1 7a_106832991635_100000751183 [0,0,0,1,0,0|2,0,1]=4 973 B8R1.2 CNc1ccccc1 34a_100000106764_200000210301 [0,0,0,1,0,0|2,0,1]=4 974 B8R1.2 CNc1cccnn1 27a_100102657272_100016991348 [0,0,0,1,0,0|3,0,0]=4 975 B8R1.2 CNc1ccncn1 27a_100102657272_100000703185 [0,0,0,1,0,0|2,0,1]=4 976 B8R1.2 [13CH3]Nc1ccccc1 34a_100000106764_200025704644 [0,0,0,1,0,0|2,0,1]=4 977 B8R1.3 O=c1ccc(c[nH]1)O 271570a_203496583355_100000212171 [0,0,0,1,0,0|2,0,1]=4 978 B8R1.3 O=c1ccc(n[nH]1)O 271570a_203496583355_100009820020 [0,0,0,1,0,0|3,0,0]=4 979 B8R1.38 CNC(=O)C1CCC1 11a_106832991635_100000209988 [0,0,0,1,0,0|1,0,2]=4 980 B8R1.38 CNC(=O)C1CCC1 1626a_100102657272_100000209988 [0,0,0,1,0,0|1,0,2]=4 981 B8R1.38 CNC(=O)C1CCC1 240690a_100102657272_100000209988 [0,0,0,1,0,0|1,0,2]=4 982 B8R1.38 CNC(=O)C1CCC1 527a_100102657272_100000209988 [0,0,0,1,0,0|1,0,2]=4 983 B8R1.38 CNC(=O)C1CCO1 11a_106832991635_100000089072 [0,0,0,1,0,0|2,0,1]=4 984 B8R1.38 CNC(=O)C1CCO1 1626a_100102657272_100000089072 [0,0,0,1,0,0|2,0,1]=4 985 B8R1.38 CNC(=O)C1CCO1 240690a_100102657272_100000089072 [0,0,0,1,0,0|2,0,1]=4 986 B8R1.38 CNC(=O)C1CCO1 527a_100102657272_100000089072 [0,0,0,1,0,0|2,0,1]=4 987 B8R1.38 CNC(=O)C1COC1 11a_106832991635_100000758290 [0,0,0,1,0,0|0,1,2]=4 988 B8R1.38 CNC(=O)C1COC1 1626a_100102657272_100000758290 [0,0,0,1,0,0|0,1,2]=4 989 B8R1.38 CNC(=O)C1COC1 240690a_100102657272_100000758290 [0,0,0,1,0,0|0,1,2]=4 990 B8R1.38 CNC(=O)C1COC1 527a_100102657272_100000758290 [0,0,0,1,0,0|0,1,2]=4 991 B8R1.38 CNC(=O)N1CCC1 2708a_100102657272_100000754969 [0,0,0,1,0,0|2,0,1]=4 992 B8R1.38 CNC(=O)N1CCC1 273464a_100102657272_100000754969 [0,0,0,1,0,0|2,0,1]=4 993 B8R1.40 CCC(=O)CC1CS1 1458a_100000210414_100000031435 [0,0,0,1,0,0|1,0,2]=4 994 B8R1.40 CNC(=O)CC1CC1 11a_106832991635_100000738066 [0,0,0,1,0,0|1,0,2]=4 995 B8R1.40 CNC(=O)CC1CC1 1626a_100102657272_100000738066 [0,0,0,1,0,0|1,0,2]=4 996 B8R1.40 CNC(=O)CC1CC1 240690a_100102657272_100000738066 [0,0,0,1,0,0|1,0,2]=4 997 B8R1.40 CNC(=O)CC1CC1 527a_100102657272_100000738066 [0,0,0,1,0,0|1,0,2]=4 998 B8R1.40 CNC(=O)NC1CC1 2708a_100000212008_106832991635 [0,0,0,1,0,0|2,0,1]=4 999 B8R1.40 CNC(=O)NC1CC1 2708a_100102657272_100000212008 [0,0,0,1,0,0|2,0,1]=4 1000 B8R1.40 CNC(=O)NC1CC1 273464a_100000212008_100102657272 [0,0,0,1,0,0|2,0,1]=4 1001 B8R1.40 CNC(=O)NC1CC1 273464a_100102657272_100000212008 [0,0,0,1,0,0|2,0,1]=4 1002 B8R1.40 CNC(=O)NC1CC1 512a_100000212008_100102657272 [0,0,0,1,0,0|2,0,1]=4 1003 B8R1.50 Cc1cnc(n1C)O 271570a_203496583355_100009816807 [0,0,0,1,0,0|2,0,1]=4 1004 B8R1.50 Cc1ncc(n1C)O 271570a_203496583355_100000762843 [0,0,0,1,0,0|2,0,1]=4 1005 B8R1.83 CNC(=O)C1CC1C 11a_106832991635_100000211227 [0,0,0,1,0,0|1,0,2]=4 1006 B8R1.83 CNC(=O)C1CC1C 1626a_100102657272_100000211227 [0,0,0,1,0,0|1,0,2]=4 1007 B8R1.83 CNC(=O)C1CC1C 527a_100102657272_100000211227 [0,0,0,1,0,0|1,0,2]=4 1008 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [2,0,0,0,0,0|1,0,1]=4 1009 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [2,0,0,0,0,0|1,0,1]=4 1010 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [2,0,0,0,0,0|1,0,1]=4 1011 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [2,0,0,0,0,0|1,0,1]=4 1012 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [2,0,0,0,0,0|0,0,2]=4 1013 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [2,0,0,0,0,0|0,0,2]=4 1014 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [2,0,0,0,0,0|0,0,2]=4 1015 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [2,0,0,0,0,0|0,0,2]=4 1016 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [2,0,0,0,0,0|0,0,2]=4 1017 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [2,0,0,0,0,0|1,0,0]=3 1018 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [2,0,0,0,0,0|1,0,0]=3 1019 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [2,0,0,0,0,0|1,0,0]=3 1020 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [2,0,0,0,0,0|0,1,1]=4 1021 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [2,0,0,0,0,0|0,0,0]=2 1022 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [2,0,0,0,0,0|0,0,0]=2 1023 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [2,0,0,0,0,0|0,0,2]=4 1024 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [2,0,0,0,0,0|0,0,2]=4 1025 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [2,0,0,0,0,0|0,0,2]=4 1026 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [2,0,0,0,0,0|1,0,1]=4 1027 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [2,0,0,0,0,0|1,0,1]=4 1028 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [2,0,0,0,0,0|1,0,1]=4 1029 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [2,0,0,0,0,0|1,0,1]=4 1030 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [2,0,0,0,0,0|1,0,1]=4 1031 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [2,0,0,0,0,0|1,0,1]=4 1032 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [2,0,0,0,0,0|1,0,1]=4 1033 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [2,0,0,0,0,0|2,0,0]=4 1034 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [2,0,0,0,0,0|0,1,1]=4 1035 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [2,0,0,0,0,0|0,1,1]=4 1036 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [2,0,0,0,0,0|0,1,1]=4 1037 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [2,0,0,0,0,0|0,1,1]=4 1038 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [2,0,0,0,0,0|0,0,1]=3 1039 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [2,0,0,0,0,0|0,0,1]=3 1040 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [2,0,0,0,0,0|0,0,1]=3 1041 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [2,0,0,0,0,0|0,0,1]=3 1042 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [2,0,0,0,0,0|1,0,1]=4 1043 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [2,0,0,0,0,0|1,0,1]=4 1044 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [2,0,0,0,0,0|1,0,0]=3 1045 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [2,0,0,0,0,0|1,0,0]=3 1046 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [2,0,0,0,0,0|1,0,0]=3 1047 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [2,0,0,0,0,0|1,0,1]=4 1048 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [2,0,0,0,0,0|0,0,1]=3 1049 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [2,0,0,0,0,0|0,0,1]=3 1050 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [2,0,0,0,0,0|1,0,1]=4 1051 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [2,0,0,0,0,0|1,0,1]=4 1052 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [2,0,0,0,0,0|0,0,1]=3 1053 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [2,0,0,0,0,0|0,0,1]=3 1054 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [2,0,0,0,0,0|0,1,1]=4 1055 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [2,0,0,0,0,0|0,1,1]=4 1056 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [2,0,0,0,0,0|0,1,1]=4 1057 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [2,0,0,0,0,0|0,0,1]=3 1058 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [2,0,0,0,0,0|0,0,1]=3 1059 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [2,0,0,0,0,0|0,0,1]=3 1060 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [2,0,0,0,0,0|0,0,1]=3 1061 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [2,0,0,0,0,0|0,0,1]=3 1062 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [2,0,0,0,0,0|0,0,1]=3 1063 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [2,0,0,0,0,0|0,0,1]=3 1064 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [2,0,0,0,0,0|0,1,1]=4 1065 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [2,0,0,0,0,0|0,0,1]=3 1066 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [2,0,0,0,0,0|0,0,1]=3 1067 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [2,0,0,0,0,0|0,0,1]=3 1068 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [2,0,0,0,0,0|0,0,1]=3 1069 B5R0.2 CNCCSC 2230a_100020590264_200000210301 [2,0,0,0,0,0|0,0,2]=4 1070 B5R0.2 CNCCSC 2230a_106832991635_100000751147 [2,0,0,0,0,0|0,0,2]=4 1071 B5R0.2 CNCCSC 34a_100102657272_100000212216 [2,0,0,0,0,0|0,0,2]=4 1072 B5R0.2 CNCCSC 7a_106832991635_100000212216 [2,0,0,0,0,0|0,0,2]=4 1073 B5R0.2 CSCCN[13CH3] 2230a_100020590264_200025704644 [2,0,0,0,0,0|0,0,2]=4 1074 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [2,0,0,0,0,0|1,0,0]=3 1075 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [2,0,0,0,0,0|2,0,0]=4 1076 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [2,0,0,0,0,0|0,0,0]=2 1077 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [2,0,0,0,0,0|0,0,0]=2 1078 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [2,0,0,0,0,0|1,0,1]=4 1079 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [2,0,0,0,0,0|0,0,1]=3 1080 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [2,0,0,0,0,0|0,0,1]=3 1081 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [2,0,0,0,0,0|0,0,1]=3 1082 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [2,0,0,0,0,0|0,0,1]=3 1083 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [2,0,0,0,0,0|0,1,1]=4 1084 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [2,0,0,0,0,0|0,1,1]=4 1085 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [2,0,0,0,0,0|1,0,0]=3 1086 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [2,0,0,0,0,0|1,0,0]=3 1087 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [2,0,0,0,0,0|1,0,0]=3 1088 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [1,1,0,0,0,0|1,0,1]=4 1089 B7R0.2 CC(=CC(=O)CF)C 1458a_100000211388_100015361967 [1,1,0,0,0,0|2,0,0]=4 1090 B7R0.2 CC(=CC(=O)CF)Cl 1458a_200042562850_100015361967 [1,1,0,0,0,0|2,0,0]=4 1091 B7R0.2 CC(=CC(=O)CF)I 1458a_100025716642_100015361967 [1,1,0,0,0,0|2,0,0]=4 1092 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [1,1,0,0,0,0|2,0,0]=4 1093 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [1,1,0,0,0,0|2,0,0]=4 1094 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [1,1,0,0,0,0|1,0,0]=3 1095 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [1,1,0,0,0,0|1,0,0]=3 1096 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [1,1,0,0,0,0|1,0,0]=3 1097 B7R0.2 CCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210202 [1,1,0,0,0,0|2,0,0]=4 1098 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [1,1,0,0,0,0|1,0,1]=4 1099 B7R0.2 CNC(=O)C=C(C)C 11a_106832991635_100000211388 [1,1,0,0,0,0|0,0,0]=2 1100 B7R0.2 CNC(=O)C=C(C)C 1626a_100102657272_100000211388 [1,1,0,0,0,0|0,0,0]=2 1101 B7R0.2 CNC(=O)C=C(C)C 240690a_100102657272_100000211388 [1,1,0,0,0,0|0,0,0]=2 1102 B7R0.2 CNC(=O)C=C(C)Cl 11a_106832991635_200042562850 [1,1,0,0,0,0|0,0,0]=2 1103 B7R0.2 CNC(=O)C=C(C)Cl 1626a_100102657272_200042562850 [1,1,0,0,0,0|0,0,0]=2 1104 B7R0.2 CNC(=O)C=C(C)Cl 240690a_100102657272_200042562850 [1,1,0,0,0,0|0,0,0]=2 1105 B7R0.2 CNC(=O)C=C(C)I 11a_106832991635_100025716642 [1,1,0,0,0,0|0,0,0]=2 1106 B7R0.2 CNC(=O)C=C(C)I 1626a_100102657272_100025716642 [1,1,0,0,0,0|0,0,0]=2 1107 B7R0.2 CNC(=O)C=C(Cl)Cl 1626a_100102657272_100000137448 [1,1,0,0,0,0|1,0,0]=3 1108 B7R0.2 CNC(=O)C=C(Cl)Cl 240690a_100102657272_100000137448 [1,1,0,0,0,0|1,0,0]=3 1109 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [1,1,0,0,0,0|0,0,1]=3 1110 B7R0.2 CNC(=O)CC(=O)N 240690a_100102657272_100134613110 [1,1,0,0,0,0|0,1,1]=4 1111 B7R0.2 CNC(=O)CC(=O)N 527a_100102657272_100134613110 [1,1,0,0,0,0|0,1,1]=4 1112 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [1,1,0,0,0,0|0,0,2]=4 1113 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [1,1,0,0,0,0|0,0,2]=4 1114 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [1,1,0,0,0,0|0,0,2]=4 1115 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [1,1,0,0,0,0|0,0,2]=4 1116 B7R0.2 CNC(=O)CN(C)C 11a_106832991635_100000750896 [1,1,0,0,0,0|1,0,1]=4 1117 B7R0.2 CNC(=O)CN(C)C 2230a_100000189611_200000210301 [1,1,0,0,0,0|1,0,1]=4 1118 B7R0.2 CNC(=O)CN(C)C 2230a_100102631434_100000183359 [1,1,0,0,0,0|1,0,1]=4 1119 B7R0.2 CNC(=O)CN(C)C 240690a_100102657272_100000750896 [1,1,0,0,0,0|1,0,1]=4 1120 B7R0.2 CNC(=O)CN(C)C 269982a_100102631434_100000183359 [1,1,0,0,0,0|1,0,1]=4 1121 B7R0.2 CNC(=O)CN(C)C 527a_100102657272_100000750896 [1,1,0,0,0,0|1,0,1]=4 1122 B7R0.2 CNC(=O)CN(C)[13CH3] 2230a_100000189611_200025704644 [1,1,0,0,0,0|1,0,1]=4 1123 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [1,1,0,0,0,0|0,0,2]=4 1124 B7R0.2 CNC(=O)C[S+](C)C 11a_106832991635_200159257847 [1,1,0,0,0,0|0,0,2]=4 1125 B7R0.2 CNC(=O)C[S+](C)C 1626a_100102657272_200159257847 [1,1,0,0,0,0|0,0,2]=4 1126 B7R0.2 CNC(=O)C[S+](C)C 240690a_100102657272_200159257847 [1,1,0,0,0,0|0,0,2]=4 1127 B7R0.2 CNC(=O)C[S+](C)C 527a_100102657272_200159257847 [1,1,0,0,0,0|0,0,2]=4 1128 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [1,1,0,0,0,0|1,0,1]=4 1129 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [1,1,0,0,0,0|1,0,1]=4 1130 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [1,1,0,0,0,0|1,0,1]=4 1131 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [1,1,0,0,0,0|1,0,1]=4 1132 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [1,1,0,0,0,0|1,0,1]=4 1133 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [1,1,0,0,0,0|1,0,1]=4 1134 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [1,1,0,0,0,0|1,0,1]=4 1135 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [1,1,0,0,0,0|1,0,1]=4 1136 B7R0.5 C=CCC(=O)N(C)C 11a_100102631434_100000210193 [1,1,0,0,0,0|0,0,2]=4 1137 B7R0.5 C=CCC(=O)N(C)C 1626a_100102631434_100000210193 [1,1,0,0,0,0|0,0,2]=4 1138 B7R0.5 C=CCC(=O)N(C)C 240690a_100102631434_100000210193 [1,1,0,0,0,0|0,0,2]=4 1139 B7R0.5 C=CCC(=O)N(C)C 527a_100102631434_100000210193 [1,1,0,0,0,0|0,0,2]=4 1140 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [1,1,0,0,0,0|1,0,1]=4 1141 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [1,1,0,0,0,0|1,0,1]=4 1142 B7R0.5 CC(C)C(=O)C=CBr 1458a_100016273825_100000210206 [1,1,0,0,0,0|2,0,0]=4 1143 B7R0.5 CC(C)C(=O)C=CCl 1458a_200016279998_100000210206 [1,1,0,0,0,0|2,0,0]=4 1144 B7R0.5 CC(C)C(=O)C=CI 1458a_100016256311_100000210206 [1,1,0,0,0,0|2,0,0]=4 1145 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [1,1,0,0,0,0|1,0,1]=4 1146 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [1,1,0,0,0,0|1,0,1]=4 1147 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [1,1,0,0,0,0|1,0,0]=3 1148 B7R0.5 CC=CC(=O)N(C)C 11a_100102631434_100000210699 [1,1,0,0,0,0|0,0,0]=2 1149 B7R0.5 CC=CC(=O)N(C)C 1626a_100102631434_100000210699 [1,1,0,0,0,0|0,0,0]=2 1150 B7R0.5 CC=CC(=O)N(C)C 240690a_100102631434_100000210699 [1,1,0,0,0,0|0,0,0]=2 1151 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [1,1,0,0,0,0|0,0,2]=4 1152 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [1,1,0,0,0,0|0,0,2]=4 1153 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [1,1,0,0,0,0|0,0,2]=4 1154 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [1,1,0,0,0,0|0,0,2]=4 1155 B7R0.5 CCNC(=O)N(C)C 2708a_100015525214_100102631434 [1,1,0,0,0,0|1,0,1]=4 1156 B7R0.5 CN(C)C(=O)C=CBr 1626a_100102631434_100016273825 [1,1,0,0,0,0|1,0,0]=3 1157 B7R0.5 CN(C)C(=O)C=CBr 240690a_100102631434_100016273825 [1,1,0,0,0,0|1,0,0]=3 1158 B7R0.5 CN(C)C(=O)C=CCl 11a_100102631434_200016279998 [1,1,0,0,0,0|1,0,0]=3 1159 B7R0.5 CN(C)C(=O)C=CCl 1626a_100102631434_200016279998 [1,1,0,0,0,0|1,0,0]=3 1160 B7R0.5 CN(C)C(=O)C=CCl 240690a_100102631434_200016279998 [1,1,0,0,0,0|1,0,0]=3 1161 B7R0.5 CN(C)C(=O)C=CI 1626a_100102631434_100016256311 [1,1,0,0,0,0|1,0,0]=3 1162 B7R0.5 CN(C)C(=O)CN[13CH3] 2230a_100015183351_200025704644 [1,1,0,0,0,0|1,0,1]=4 1163 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_100000692301_200025704644 [1,1,0,0,0,0|0,0,1]=3 1164 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_200025704644_100000692301 [1,1,0,0,0,0|0,0,1]=3 1165 B7R0.5 CNCC(=O)N(C)C 2230a_100015183351_200000210301 [1,1,0,0,0,0|1,0,1]=4 1166 B7R0.5 CNCC(=O)N(C)C 2230a_106832991635_100000185267 [1,1,0,0,0,0|1,0,1]=4 1167 B7R0.5 CNCC(=O)N(C)C 34a_100102657272_100000692301 [1,1,0,0,0,0|1,0,1]=4 1168 B7R0.5 CNCC(=O)N(C)C 7a_106832991635_100000692301 [1,1,0,0,0,0|1,0,1]=4 1169 B7R0.5 COCC(=O)N(C)C 11a_100102631434_100000210968 [1,1,0,0,0,0|0,1,1]=4 1170 B7R0.5 COCC(=O)N(C)C 1626a_100102631434_100000210968 [1,1,0,0,0,0|0,1,1]=4 1171 B7R0.5 COCC(=O)N(C)C 240690a_100102631434_100000210968 [1,1,0,0,0,0|0,1,1]=4 1172 B7R0.5 COCC(=O)N(C)C 34a_100138415774_100000692301 [1,1,0,0,0,0|0,1,1]=4 1173 B7R0.5 COCC(=O)N(C)C 527a_100102631434_100000210968 [1,1,0,0,0,0|0,1,1]=4 1174 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [1,1,0,0,0,0|1,0,1]=4 1175 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [1,1,0,0,0,0|1,0,1]=4 1176 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [1,1,0,0,0,0|1,0,1]=4 1177 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [1,1,0,0,0,0|1,0,1]=4 1178 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [1,1,0,0,0,0|1,0,1]=4 1179 B7R0.5 CSCC(=O)N(C)C 11a_100102631434_100000184570 [1,1,0,0,0,0|0,0,1]=3 1180 B7R0.5 CSCC(=O)N(C)C 1626a_100102631434_100000184570 [1,1,0,0,0,0|0,0,1]=3 1181 B7R0.5 CSCC(=O)N(C)C 240690a_100102631434_100000184570 [1,1,0,0,0,0|0,0,1]=3 1182 B7R0.5 CSCC(=O)N(C)C 527a_100102631434_100000184570 [1,1,0,0,0,0|0,0,1]=3 1183 B7R0.5 CSCC(=O)N(C)C 62a_100000692301_200000210301 [1,1,0,0,0,0|0,0,1]=3 1184 B7R0.5 CSCC(=O)N(C)C 62a_200000210301_100000692301 [1,1,0,0,0,0|0,0,1]=3 1185 B7R0.7 C#CCC(=O)C=CC 1458a_100000210699_100000184674 [1,1,0,0,0,0|1,0,1]=4 1186 B7R0.7 C=CCC(=O)C=CC 1458a_100000210699_100000210623 [1,1,0,0,0,0|1,0,1]=4 1187 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [1,1,0,0,0,0|0,0,2]=4 1188 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [1,1,0,0,0,0|0,0,2]=4 1189 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [1,1,0,0,0,0|0,0,2]=4 1190 B7R0.7 C=CCC(=O)NNC 22a_100016993582_100000210193 [1,1,0,0,0,0|0,0,2]=4 1191 B7R0.7 C=COC(=O)CNC 2230a_106832991635_100000036128 [1,1,0,0,0,0|1,0,1]=4 1192 B7R0.7 C=COC(=O)CNC 34a_100102657272_100000036128 [1,1,0,0,0,0|1,0,1]=4 1193 B7R0.7 CC#CC(=O)NNC 22a_100016993582_100000763181 [1,1,0,0,0,0|0,0,2]=4 1194 B7R0.7 CC=CC(=O)CC#N 1458a_100000210699_100011214920 [1,1,0,0,0,0|1,0,1]=4 1195 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [1,1,0,0,0,0|1,0,0]=3 1196 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [1,1,0,0,0,0|1,0,0]=3 1197 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [1,1,0,0,0,0|1,0,0]=3 1198 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [1,1,0,0,0,0|0,0,0]=2 1199 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [1,1,0,0,0,0|0,0,0]=2 1200 B7R0.7 CC=CC(=O)NNC 22a_100016993582_100000210699 [1,1,0,0,0,0|0,0,0]=2 1201 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [1,1,0,0,0,0|2,0,0]=4 1202 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [1,1,0,0,0,0|2,0,0]=4 1203 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [1,1,0,0,0,0|2,0,0]=4 1204 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [1,1,0,0,0,0|0,0,2]=4 1205 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [1,1,0,0,0,0|0,0,2]=4 1206 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [1,1,0,0,0,0|1,0,1]=4 1207 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [1,1,0,0,0,0|1,0,1]=4 1208 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [1,1,0,0,0,0|1,0,1]=4 1209 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [1,1,0,0,0,0|1,0,1]=4 1210 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [1,1,0,0,0,0|1,0,1]=4 1211 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [1,1,0,0,0,0|0,0,2]=4 1212 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [1,1,0,0,0,0|0,0,2]=4 1213 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [1,1,0,0,0,0|0,0,2]=4 1214 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [1,1,0,0,0,0|0,0,2]=4 1215 B7R0.7 CCNC(=O)C=CBr 240690a_100015525214_100016273825 [1,1,0,0,0,0|1,0,0]=3 1216 B7R0.7 CCNC(=O)C=CCl 11a_100015525214_200016279998 [1,1,0,0,0,0|1,0,0]=3 1217 B7R0.7 CCNC(=O)C=CCl 240690a_100015525214_200016279998 [1,1,0,0,0,0|1,0,0]=3 1218 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [1,1,0,0,0,0|1,0,1]=4 1219 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [1,1,0,0,0,0|1,0,1]=4 1220 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [1,1,0,0,0,0|1,0,1]=4 1221 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [1,1,0,0,0,0|1,0,1]=4 1222 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [1,1,0,0,0,0|1,0,1]=4 1223 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [1,1,0,0,0,0|0,1,1]=4 1224 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [1,1,0,0,0,0|0,1,1]=4 1225 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [1,1,0,0,0,0|0,1,1]=4 1226 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [1,1,0,0,0,0|0,1,1]=4 1227 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [1,1,0,0,0,0|0,0,1]=3 1228 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [1,1,0,0,0,0|0,0,1]=3 1229 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [1,1,0,0,0,0|0,0,1]=3 1230 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [1,1,0,0,0,0|0,0,1]=3 1231 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [1,1,0,0,0,0|0,0,1]=3 1232 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [1,1,0,0,0,0|0,0,1]=3 1233 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [1,1,0,0,0,0|0,0,1]=3 1234 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [1,1,0,0,0,0|1,0,1]=4 1235 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [1,1,0,0,0,0|1,0,1]=4 1236 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [1,1,0,0,0,0|1,0,1]=4 1237 B7R0.7 CCNC(=O)NNC 273464a_100015525214_100016993582 [1,1,0,0,0,0|1,0,1]=4 1238 B7R0.7 CCNC(=O)NNC 512a_100015525214_100016993582 [1,1,0,0,0,0|1,0,1]=4 1239 B7R0.7 CCNC(=O)NNC 512a_100016993582_100015525214 [1,1,0,0,0,0|1,0,1]=4 1240 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [1,1,0,0,0,0|1,0,1]=4 1241 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [1,1,0,0,0,0|1,0,1]=4 1242 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [1,1,0,0,0,0|1,0,1]=4 1243 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [1,1,0,0,0,0|1,0,1]=4 1244 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [1,1,0,0,0,0|1,0,1]=4 1245 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [1,1,0,0,0,0|1,0,1]=4 1246 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [1,1,0,0,0,0|1,0,1]=4 1247 B7R0.7 CNCC(=O)NCO 2230a_106832991635_100000185155 [1,1,0,0,0,0|1,0,1]=4 1248 B7R0.7 CNCC(=O)NCO 34a_100102657272_100000185155 [1,1,0,0,0,0|1,0,1]=4 1249 B7R0.7 CNCC(=O)NCO 7a_106832991635_100000185155 [1,1,0,0,0,0|1,0,1]=4 1250 B7R0.7 CNNC(=O)COC 22a_100016993582_100000210968 [1,1,0,0,0,0|0,1,1]=4 1251 B7R0.7 CNNC(=O)CSC 22a_100016993582_100000184570 [1,1,0,0,0,0|0,0,1]=3 1252 B7R0.7 CNNC(=O)NNC 512a_100016993582_100016993582 [1,1,0,0,0,0|2,0,0]=4 1253 B7R0.7 COCC(=O)NCO 34a_100138415774_100000185155 [1,1,0,0,0,0|0,1,1]=4 1254 B7R0.7 CSCC(=O)CCF 1458a_100000184570_100011217306 [1,1,0,0,0,0|1,0,1]=4 1255 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [1,1,0,0,0,0|1,0,1]=4 1256 B7R0.7 CSCC(=O)NCO 62a_100000185155_200000210301 [1,1,0,0,0,0|0,0,1]=3 1257 B7R0.7 CSCC(=O)NCO 62a_200000210301_100000185155 [1,1,0,0,0,0|0,0,1]=3 1258 B7R0.7 O=C(C=CBr)CCF 1458a_100016273825_100011217306 [1,1,0,0,0,0|2,0,0]=4 1259 B7R0.7 O=C(C=CBr)CCO 1458a_100016273825_100000211926 [1,1,0,0,0,0|2,0,0]=4 1260 B7R0.7 O=C(C=CCl)CCF 1458a_200016279998_100011217306 [1,1,0,0,0,0|2,0,0]=4 1261 B7R0.7 O=C(C=CCl)CCO 1458a_200016279998_100000211926 [1,1,0,0,0,0|2,0,0]=4 1262 B7R0.7 O=C(C=CI)CCF 1458a_100016256311_100011217306 [1,1,0,0,0,0|2,0,0]=4 1263 B7R0.7 O=C(C=CI)CCO 1458a_100016256311_100000211926 [1,1,0,0,0,0|2,0,0]=4 1264 B7R0.7 [13CH3]SCC(=O)NCO 62a_100000185155_200025704644 [1,1,0,0,0,0|0,0,1]=3 1265 B7R0.7 [13CH3]SCC(=O)NCO 62a_200025704644_100000185155 [1,1,0,0,0,0|0,0,1]=3 1266 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [1,1,0,0,0,0|1,0,0]=3 1267 B7R0.10 C/C=C(\C)/C(=O)CF 1458a_100020587367_100015361967 [1,1,0,0,0,0|2,0,0]=4 1268 B7R0.10 C/C=C(\C)/C(=O)NC 11a_106832991635_100020587367 [1,1,0,0,0,0|0,0,0]=2 1269 B7R0.10 C/C=C(\C)/C(=O)NC 1626a_100102657272_100020587367 [1,1,0,0,0,0|0,0,0]=2 1270 B7R0.10 C/C=C(\C)/C(C)NC 269862a_106832991636_100020675665 [1,1,0,0,0,0|1,0,1]=4 1271 B7R0.10 C=CC(C)C(=O)NC 11a_106832991635_100011216780 [1,1,0,0,0,0|0,0,2]=4 1272 B7R0.10 C=CC(C)C(=O)NC 1626a_100102657272_100011216780 [1,1,0,0,0,0|0,0,2]=4 1273 B7R0.10 C=CC(C)C(=O)NC 240690a_100102657272_100011216780 [1,1,0,0,0,0|0,0,2]=4 1274 B7R0.10 C=CC(C)C(=O)NC 527a_100102657272_100011216780 [1,1,0,0,0,0|0,0,2]=4 1275 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [1,1,0,0,0,0|0,0,1]=3 1276 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [1,1,0,0,0,0|1,0,1]=4 1277 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [1,1,0,0,0,0|1,0,1]=4 1278 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [1,1,0,0,0,0|1,0,1]=4 1279 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [1,1,0,0,0,0|1,0,1]=4 1280 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [1,1,0,0,0,0|1,0,1]=4 1281 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [1,1,0,0,0,0|0,0,2]=4 1282 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [1,1,0,0,0,0|0,0,2]=4 1283 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [1,1,0,0,0,0|0,0,2]=4 1284 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [1,1,0,0,0,0|0,0,2]=4 1285 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [1,1,0,0,0,0|0,0,2]=4 1286 B7R0.10 CCN(C)C(=O)NC 2708a_100102657272_100000225621 [1,1,0,0,0,0|1,0,1]=4 1287 B7R0.10 CCN(C)C(=O)NC 273464a_100102657272_100000225621 [1,1,0,0,0,0|1,0,1]=4 1288 B7R0.10 CNC(=O)C(=O)CF 1458a_100011218921_100015361967 [1,1,0,0,0,0|1,0,1]=4 1289 B7R0.10 CNC(=O)C(=O)NC 1626a_100102657272_100011218921 [1,1,0,0,0,0|1,0,0]=3 1290 B7R0.10 CNC(=O)C(=O)NC 240690a_100102657272_100011218921 [1,1,0,0,0,0|1,0,0]=3 1291 B7R0.10 CNC(=O)C(=O)NC 527a_100102657272_100011218921 [1,1,0,0,0,0|1,0,0]=3 1292 B7R0.10 CNC(=O)C(=O)OC 11a_106832991635_100000024059 [1,1,0,0,0,0|0,1,0]=3 1293 B7R0.10 CNC(=O)C(=O)OC 1626a_100102657272_100000024059 [1,1,0,0,0,0|0,1,0]=3 1294 B7R0.10 CNC(=O)C(=O)OC 240690a_100102657272_100000024059 [1,1,0,0,0,0|0,1,0]=3 1295 B7R0.10 CNC(=O)C(=O)OC 527a_100102657272_100000024059 [1,1,0,0,0,0|0,1,0]=3 1296 B7R0.10 CNC(=O)C(C)NC 2230a_106832991635_100000731044 [1,1,0,0,0,0|1,0,1]=4 1297 B7R0.10 CNC(=O)C(C)NC 34a_100102657272_100000731044 [1,1,0,0,0,0|1,0,1]=4 1298 B7R0.10 CNC(=O)C(C)NC 7a_106832991635_100000209862 [1,1,0,0,0,0|1,0,1]=4 1299 B7R0.10 CNC(=O)C(C)OC 11a_106832991635_100000743197 [1,1,0,0,0,0|0,1,1]=4 1300 B7R0.10 CNC(=O)C(C)OC 1626a_100102657272_100000743197 [1,1,0,0,0,0|0,1,1]=4 1301 B7R0.10 CNC(=O)C(C)OC 240690a_100102657272_100000743197 [1,1,0,0,0,0|0,1,1]=4 1302 B7R0.10 CNC(=O)C(C)OC 34a_100138415774_100000731044 [1,1,0,0,0,0|0,1,1]=4 1303 B7R0.10 CNC(=O)C(C)OC 527a_100102657272_100000743197 [1,1,0,0,0,0|0,1,1]=4 1304 B7R0.10 CNC(=O)C(C)SC 11a_106832991635_100000149566 [1,1,0,0,0,0|0,0,1]=3 1305 B7R0.10 CNC(=O)C(C)SC 1626a_100102657272_100000149566 [1,1,0,0,0,0|0,0,1]=3 1306 B7R0.10 CNC(=O)C(C)SC 240690a_100102657272_100000149566 [1,1,0,0,0,0|0,0,1]=3 1307 B7R0.10 CNC(=O)C(C)SC 527a_100102657272_100000149566 [1,1,0,0,0,0|0,0,1]=3 1308 B7R0.10 CNC(=O)C(C)SC 62a_100000209862_200000210301 [1,1,0,0,0,0|0,0,1]=3 1309 B7R0.10 CNC(=O)C(C)SC 62a_200000210301_100000731044 [1,1,0,0,0,0|0,0,1]=3 1310 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_100000209862_200025704644 [1,1,0,0,0,0|0,0,1]=3 1311 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_200025704644_100000731044 [1,1,0,0,0,0|0,0,1]=3 1312 B7R0.10 CNC(=O)C(F)NC 2230a_106832991635_100009813575 [1,1,0,0,0,0|1,0,1]=4 1313 B7R0.10 CNC(=O)C(F)NC 34a_100102657272_100009813575 [1,1,0,0,0,0|1,0,1]=4 1314 B7R0.10 CNC(=O)C(F)NC 7a_106832991635_100009813575 [1,1,0,0,0,0|1,0,1]=4 1315 B7R0.10 CNC(=O)C(F)OC 34a_100138415774_100009813575 [1,1,0,0,0,0|0,1,1]=4 1316 B7R0.10 CNC(=O)C(F)SC 62a_100009813575_200000210301 [1,1,0,0,0,0|0,0,1]=3 1317 B7R0.10 CNC(=O)C(F)SC 62a_200000210301_100009813575 [1,1,0,0,0,0|0,0,1]=3 1318 B7R0.10 CNC(=O)C(F)S[13CH3] 62a_100009813575_200025704644 [1,1,0,0,0,0|0,0,1]=3 1319 B7R0.10 CNC(=O)C(F)S[13CH3] 62a_200025704644_100009813575 [1,1,0,0,0,0|0,0,1]=3 1320 B7R0.10 CNC(=O)[C@@H](C)NC 2230a_100000684985_200000210301 [1,1,0,0,0,0|1,0,1]=4 1321 B7R0.10 CNC(=O)[C@@H](C)NC 34a_100000684985_200000210301 [1,1,0,0,0,0|1,0,1]=4 1322 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 2230a_100000684985_200025704644 [1,1,0,0,0,0|1,0,1]=4 1323 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 34a_100000684985_200025704644 [1,1,0,0,0,0|1,0,1]=4 1324 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [1,1,0,0,0,0|1,0,1]=4 1325 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [1,1,0,0,0,0|1,0,1]=4 1326 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [1,1,0,0,0,0|1,0,1]=4 1327 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [1,1,0,0,0,0|1,0,1]=4 1328 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [1,1,0,0,0,0|1,0,0]=3 1329 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [1,1,0,0,0,0|1,0,0]=3 1330 B7R0.4 CC(=CCCS[13CH3])C 62a_100011217483_200025704644 [1,1,0,0,0,0|1,0,1]=4 1331 B7R0.4 CC(=CCCS[13CH3])C 62a_200025704644_100011217483 [1,1,0,0,0,0|1,0,1]=4 1332 B7R0.4 CC(=CCSCF)C 62a_100000761012_100015361967 [1,1,0,0,0,0|1,0,1]=4 1333 B7R0.4 CC(=CCSCF)C 62a_100015361967_100000761012 [1,1,0,0,0,0|1,0,1]=4 1334 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [1,1,0,0,0,0|0,0,2]=4 1335 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [1,1,0,0,0,0|0,0,2]=4 1336 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [1,1,0,0,0,0|0,0,2]=4 1337 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [1,1,0,0,0,0|0,0,2]=4 1338 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [1,1,0,0,0,0|0,0,2]=4 1339 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [1,1,0,0,0,0|0,0,2]=4 1340 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [1,1,0,0,0,0|0,0,2]=4 1341 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [1,1,0,0,0,0|0,0,2]=4 1342 B7R0.4 CC(=O)OCSCF 62a_100000076356_100015361967 [1,1,0,0,0,0|1,0,1]=4 1343 B7R0.4 CC(=O)OCSCF 62a_100015361967_100000076356 [1,1,0,0,0,0|1,0,1]=4 1344 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,1,0,0,0,0|1,0,0]=3 1345 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,1,0,0,0,0|1,0,0]=3 1346 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,1,0,0,0,0|1,0,0]=3 1347 B7R0.4 CCC=NNC(=O)C 4a_100000189765_100000210100 [1,1,0,0,0,0|2,0,0]=4 1348 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [1,1,0,0,0,0|1,0,0]=3 1349 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [1,1,0,0,0,0|1,0,0]=3 1350 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [1,1,0,0,0,0|0,1,0]=3 1351 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [1,1,0,0,0,0|0,1,0]=3 1352 B7R0.4 CCSCC=C(C)C 62a_100000210202_100000761012 [1,1,0,0,0,0|1,0,1]=4 1353 B7R0.4 CCSCC=C(C)C 62a_100000761012_100000210202 [1,1,0,0,0,0|1,0,1]=4 1354 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [1,1,0,0,0,0|0,0,2]=4 1355 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [1,1,0,0,0,0|0,0,2]=4 1356 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [1,1,0,0,0,0|0,0,2]=4 1357 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [1,1,0,0,0,0|0,0,2]=4 1358 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [1,1,0,0,0,0|0,0,2]=4 1359 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [1,1,0,0,0,0|0,0,2]=4 1360 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [1,1,0,0,0,0|0,0,2]=4 1361 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [1,1,0,0,0,0|1,0,1]=4 1362 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [1,1,0,0,0,0|1,0,1]=4 1363 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [1,1,0,0,0,0|0,1,0]=3 1364 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [1,1,0,0,0,0|0,1,0]=3 1365 B7R0.4 CSCCC=C(C)C 62a_100011217483_200000210301 [1,1,0,0,0,0|1,0,1]=4 1366 B7R0.4 CSCCC=C(C)C 62a_200000210301_100011217483 [1,1,0,0,0,0|1,0,1]=4 1367 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [1,1,0,0,0,0|0,0,2]=4 1368 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [1,1,0,0,0,0|0,0,2]=4 1369 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [1,1,0,0,0,0|0,0,2]=4 1370 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [1,1,0,0,0,0|0,0,2]=4 1371 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [1,1,0,0,0,0|0,0,2]=4 1372 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [1,1,0,0,0,0|0,0,2]=4 1373 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [1,1,0,0,0,0|0,0,2]=4 1374 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [1,1,0,0,0,0|0,0,2]=4 1375 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [1,1,0,0,0,0|0,0,2]=4 1376 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [1,1,0,0,0,0|0,0,2]=4 1377 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [1,1,0,0,0,0|0,0,2]=4 1378 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [1,1,0,0,0,0|0,0,2]=4 1379 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [1,1,0,0,0,0|0,0,2]=4 1380 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [1,1,0,0,0,0|0,0,2]=4 1381 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [1,1,0,0,0,0|0,0,2]=4 1382 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [1,1,0,0,0,0|0,0,2]=4 1383 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [1,1,0,0,0,0|0,0,2]=4 1384 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [1,1,0,0,0,0|0,0,2]=4 1385 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [1,1,0,0,0,0|0,0,2]=4 1386 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [1,1,0,0,0,0|0,0,2]=4 1387 B7R0.4 CSCSCC(=O)N 62a_100000747473_100011218213 [1,1,0,0,0,0|0,0,2]=4 1388 B7R0.4 CSCSCC(=O)N 62a_100011218213_100000747473 [1,1,0,0,0,0|0,0,2]=4 1389 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [1,1,0,0,0,0|0,0,2]=4 1390 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [1,1,0,0,0,0|0,0,2]=4 1391 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [1,1,0,0,0,0|0,0,2]=4 1392 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [1,1,0,0,0,0|0,0,2]=4 1393 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [1,1,0,0,0,0|0,0,2]=4 1394 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [1,1,0,0,0,0|0,0,2]=4 1395 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [1,1,0,0,0,0|0,0,2]=4 1396 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [1,1,0,0,0,0|0,0,2]=4 1397 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [1,1,0,0,0,0|1,0,1]=4 1398 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [1,1,0,0,0,0|1,0,0]=3 1399 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [1,1,0,0,0,0|1,0,1]=4 1400 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [1,1,0,0,0,0|1,0,1]=4 1401 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [1,1,0,0,0,0|1,0,0]=3 1402 B7R0.1 C/C=C/C=C/COC 34a_100016283227_200000210301 [1,1,0,0,0,0|1,1,0]=4 1403 B7R0.1 C/C=C/C=C/CO[13CH3] 34a_100016283227_200025704644 [1,1,0,0,0,0|1,1,0]=4 1404 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [1,1,0,0,0,0|1,0,1]=4 1405 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [1,1,0,0,0,0|1,0,1]=4 1406 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [1,1,0,0,0,0|1,0,1]=4 1407 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [1,1,0,0,0,0|1,0,1]=4 1408 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [1,1,0,0,0,0|1,0,1]=4 1409 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [1,1,0,0,0,0|1,0,1]=4 1410 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [1,1,0,0,0,0|1,0,1]=4 1411 B7R0.1 CC/C=C\CNCC 2230a_100015525214_100103147603 [1,1,0,0,0,0|1,0,1]=4 1412 B7R0.1 CC/C=C\CSCC 62a_100000210202_100103147603 [1,1,0,0,0,0|1,0,1]=4 1413 B7R0.1 CC/C=C\CSCC 62a_100103147603_100000210202 [1,1,0,0,0,0|1,0,1]=4 1414 B7R0.1 CC/C=C\CSCF 62a_100015361967_100103147603 [1,1,0,0,0,0|1,0,1]=4 1415 B7R0.1 CC/C=C\CSCF 62a_100103147603_100015361967 [1,1,0,0,0,0|1,0,1]=4 1416 B9R0.4 C/C=C/CC(=O)CN(C)C 1458a_100000750896_100102629194 [0,2,0,0,0,0|1,0,1]=4 1417 B9R0.4 C=C(C)CC(=O)C=CCC 1458a_100000212282_100000748629 [0,2,0,0,0,0|2,0,0]=4 1418 B9R0.4 C=C(C)CC(=O)C=COC 1458a_100016268678_100000748629 [0,2,0,0,0,0|1,1,0]=4 1419 B9R0.4 C=CC=CC(=O)NC(C)C 1626a_100138425928_100016291481 [0,2,0,0,0,0|1,0,1]=4 1420 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_100000737564_200025704644 [0,2,0,0,0,0|0,0,2]=4 1421 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_200025704644_100000737564 [0,2,0,0,0,0|0,0,2]=4 1422 B9R0.4 CC=CCC(=O)CN(C)C 1458a_100000750896_100000070051 [0,2,0,0,0,0|1,0,1]=4 1423 B9R0.4 CC=CCC(=O)NC(C)C 11a_100138425928_100121576822 [0,2,0,0,0,0|1,0,1]=4 1424 B9R0.4 CC=CCC(=O)NC(C)C 1626a_100138425928_100121576822 [0,2,0,0,0,0|1,0,1]=4 1425 B9R0.4 CC=CCC(=O)NC(C)C 240690a_100138425928_100121576822 [0,2,0,0,0,0|1,0,1]=4 1426 B9R0.4 CC=CCC(=O)NC(C)C 527a_100138425928_100121576822 [0,2,0,0,0,0|1,0,1]=4 1427 B9R0.4 CCC=CC(=O)CC(C)C 1458a_100000212282_100000210624 [0,2,0,0,0,0|2,0,0]=4 1428 B9R0.4 CCC=CC(=O)CC(C)O 1458a_100000212282_100011218427 [0,2,0,0,0,0|2,0,0]=4 1429 B9R0.4 CCC=CC(=O)CC(F)F 1458a_100000212282_100011934356 [0,2,0,0,0,0|2,0,0]=4 1430 B9R0.4 CCC=CC(=O)NC(C)C 11a_100138425928_100000212282 [0,2,0,0,0,0|1,0,0]=3 1431 B9R0.4 CCC=CC(=O)NC(C)C 1626a_100138425928_100000212282 [0,2,0,0,0,0|1,0,0]=3 1432 B9R0.4 CCC=CC(=O)NC(C)C 240690a_100138425928_100000212282 [0,2,0,0,0,0|1,0,0]=3 1433 B9R0.4 COC=CC(=O)CC(C)C 1458a_100016268678_100000210624 [0,2,0,0,0,0|1,1,0]=4 1434 B9R0.4 COC=CC(=O)CC(C)O 1458a_100016268678_100011218427 [0,2,0,0,0,0|1,1,0]=4 1435 B9R0.4 COC=CC(=O)CC(F)F 1458a_100016268678_100011934356 [0,2,0,0,0,0|1,1,0]=4 1436 B9R0.4 COC=CC(=O)NC(C)C 1626a_100138425928_100016268678 [0,2,0,0,0,0|0,1,0]=3 1437 B9R0.4 COC=CC(=O)NC(C)C 240690a_100138425928_100016268678 [0,2,0,0,0,0|0,1,0]=3 1438 B9R0.4 CSCCC(=O)CN(C)C 1458a_100000750896_100000751147 [0,2,0,0,0,0|0,0,2]=4 1439 B9R0.4 CSCCC(=O)NC(C)C 11a_100138425928_100000174002 [0,2,0,0,0,0|0,0,2]=4 1440 B9R0.4 CSCCC(=O)NC(C)C 1626a_100138425928_100000174002 [0,2,0,0,0,0|0,0,2]=4 1441 B9R0.4 CSCCC(=O)NC(C)C 240690a_100138425928_100000174002 [0,2,0,0,0,0|0,0,2]=4 1442 B9R0.4 CSCCC(=O)NC(C)C 527a_100138425928_100000174002 [0,2,0,0,0,0|0,0,2]=4 1443 B9R0.4 CSCCC(=O)NC(C)C 62a_100000737564_200000210301 [0,2,0,0,0,0|0,0,2]=4 1444 B9R0.4 CSCCC(=O)NC(C)C 62a_200000210301_100000737564 [0,2,0,0,0,0|0,0,2]=4 1445 B9R0.5 C/C=C/C=CC(=O)CCC 1458a_100000185730_100000210303 [0,2,0,0,0,0|2,0,0]=4 1446 B9R0.5 C/C=C/C=CC(=O)CCF 1458a_100000185730_100011217306 [0,2,0,0,0,0|2,0,0]=4 1447 B9R0.5 C/C=C/C=CC(=O)CCO 1458a_100000185730_100000211926 [0,2,0,0,0,0|2,0,0]=4 1448 B9R0.5 C/C=C/C=CC(=O)NCC 11a_100015525214_100000185730 [0,2,0,0,0,0|1,0,0]=3 1449 B9R0.5 C/C=C/C=CC(=O)NCC 240690a_100015525214_100000185730 [0,2,0,0,0,0|1,0,0]=3 1450 B9R0.5 C/C=C/C=CC(=O)NNC 22a_100016993582_100000185730 [0,2,0,0,0,0|1,0,0]=3 1451 B9R0.5 CC#CC(=O)C/C=C\CC 1458a_100000763181_100103147603 [0,2,0,0,0,0|2,0,0]=4 1452 B9R0.5 CC/C=C/CC(=O)CCC 1458a_100016274230_100000210303 [0,2,0,0,0,0|2,0,0]=4 1453 B9R0.5 CC/C=C/CC(=O)CCF 1458a_100016274230_100011217306 [0,2,0,0,0,0|2,0,0]=4 1454 B9R0.5 CC/C=C/CC(=O)CCO 1458a_100016274230_100000211926 [0,2,0,0,0,0|2,0,0]=4 1455 B9R0.5 CC/C=C/CC(=O)NCC 11a_100015525214_100016274230 [0,2,0,0,0,0|1,0,0]=3 1456 B9R0.5 CC/C=C/CC(=O)NCC 240690a_100015525214_100016274230 [0,2,0,0,0,0|1,0,0]=3 1457 B9R0.5 CC/C=C/CC(=O)NCC 527a_100015525214_100016274230 [0,2,0,0,0,0|1,0,0]=3 1458 B9R0.5 CC/C=C/CC(=O)NNC 22a_100016993582_100016274230 [0,2,0,0,0,0|1,0,0]=3 1459 B9R0.5 CC/C=C\CC(=O)CCC 1458a_100000211992_100103147603 [0,2,0,0,0,0|2,0,0]=4 1460 B9R0.5 CC/C=C\CC(=O)CCO 1458a_100011216618_100103147603 [0,2,0,0,0,0|2,0,0]=4 1461 B9R0.5 CC/C=C\CC(=O)COC 1458a_100000210968_100103147603 [0,2,0,0,0,0|2,0,0]=4 1462 B9R0.5 CC/C=C\CC(=O)CSC 1458a_100000184570_100103147603 [0,2,0,0,0,0|2,0,0]=4 1463 B9R0.5 CC=CC(=O)C/C=C\CC 1458a_100000210699_100103147603 [0,2,0,0,0,0|2,0,0]=4 1464 B9R0.5 CCCC(=O)C=CCOC 1458a_100016285016_100000210303 [0,2,0,0,0,0|1,1,0]=4 1465 B9R0.5 CCCC(=O)C=COCC 1458a_100016266692_100000210303 [0,2,0,0,0,0|1,1,0]=4 1466 B9R0.5 CCCC=CC(=O)CCC 1458a_100000212230_100000210303 [0,2,0,0,0,0|2,0,0]=4 1467 B9R0.5 CCCC=CC(=O)CCF 1458a_100000212230_100011217306 [0,2,0,0,0,0|2,0,0]=4 1468 B9R0.5 CCCC=CC(=O)CCO 1458a_100000212230_100000211926 [0,2,0,0,0,0|2,0,0]=4 1469 B9R0.5 CCCC=CC(=O)NCC 11a_100015525214_100000212230 [0,2,0,0,0,0|1,0,0]=3 1470 B9R0.5 CCCC=CC(=O)NCC 240690a_100015525214_100000212230 [0,2,0,0,0,0|1,0,0]=3 1471 B9R0.5 CCCC=CC(=O)NNC 22a_100016993582_100000212230 [0,2,0,0,0,0|1,0,0]=3 1472 B9R0.5 CCNC(=O)C=CCOC 11a_100015525214_100016285016 [0,2,0,0,0,0|0,1,0]=3 1473 B9R0.5 CCNC(=O)C=CCOC 240690a_100015525214_100016285016 [0,2,0,0,0,0|0,1,0]=3 1474 B9R0.5 CCNC(=O)C=COCC 11a_100015525214_100016266692 [0,2,0,0,0,0|0,1,0]=3 1475 B9R0.5 CCNC(=O)C=COCC 240690a_100015525214_100016266692 [0,2,0,0,0,0|0,1,0]=3 1476 B9R0.5 CCNC(=O)CCCSC 11a_100015525214_100000173376 [0,2,0,0,0,0|0,0,2]=4 1477 B9R0.5 CCNC(=O)CCCSC 240690a_100015525214_100000173376 [0,2,0,0,0,0|0,0,2]=4 1478 B9R0.5 CCNC(=O)CCCSC 527a_100015525214_100000173376 [0,2,0,0,0,0|0,0,2]=4 1479 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [0,2,0,0,0,0|0,0,2]=4 1480 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [0,2,0,0,0,0|0,0,2]=4 1481 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [0,2,0,0,0,0|0,0,2]=4 1482 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [0,2,0,0,0,0|0,0,2]=4 1483 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [0,2,0,0,0,0|0,0,2]=4 1484 B9R0.5 CCNC(=O)CCSCF 62a_100000737597_100015361967 [0,2,0,0,0,0|0,0,2]=4 1485 B9R0.5 CCNC(=O)CCSCF 62a_100015361967_100000737597 [0,2,0,0,0,0|0,0,2]=4 1486 B9R0.5 CCNC(=O)CNCSC 2230a_100016988866_100011218213 [0,2,0,0,0,0|0,0,2]=4 1487 B9R0.5 CCNC(=O)CSCSC 62a_100000183381_100011218213 [0,2,0,0,0,0|0,0,2]=4 1488 B9R0.5 CCNC(=O)CSCSC 62a_100011218213_100000183381 [0,2,0,0,0,0|0,0,2]=4 1489 B9R0.5 CCNC(=O)NCCSC 2708a_100015525214_100020590264 [0,2,0,0,0,0|0,0,2]=4 1490 B9R0.5 CCNC(=O)NCCSC 2708a_100020590264_100015525214 [0,2,0,0,0,0|0,0,2]=4 1491 B9R0.5 CCNC(=O)NCCSC 273464a_100015525214_100020590264 [0,2,0,0,0,0|0,0,2]=4 1492 B9R0.5 CCNC(=O)NCCSC 273464a_100020590264_100015525214 [0,2,0,0,0,0|0,0,2]=4 1493 B9R0.5 CCNC(=O)NCCSC 512a_100015525214_100020590264 [0,2,0,0,0,0|0,0,2]=4 1494 B9R0.5 CCNC(=O)NCCSC 512a_100020590264_100015525214 [0,2,0,0,0,0|0,0,2]=4 1495 B9R0.5 CCOC(=O)/C=C/CNC 2230a_106832991635_100016267167 [0,2,0,0,0,0|2,0,0]=4 1496 B9R0.5 CCOC(=O)/C=C/CNC 34a_100102657272_100016267167 [0,2,0,0,0,0|2,0,0]=4 1497 B9R0.5 CCOC(=O)/C=C/CNC 7a_106832991635_100016267167 [0,2,0,0,0,0|2,0,0]=4 1498 B9R0.5 CCOC(=O)/C=C/COC 34a_100138415774_100016267167 [0,2,0,0,0,0|1,1,0]=4 1499 B9R0.5 CCOC(=O)/C=C/CSC 62a_100016267167_200000210301 [0,2,0,0,0,0|1,0,0]=3 1500 B9R0.5 CCOC(=O)/C=C/CSC 62a_200000210301_100016267167 [0,2,0,0,0,0|1,0,0]=3 1501 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_100016267167_200025704644 [0,2,0,0,0,0|1,0,0]=3 1502 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_200025704644_100016267167 [0,2,0,0,0,0|1,0,0]=3 1503 B9R0.5 CCOC=CC(=O)CCF 1458a_100016266692_100011217306 [0,2,0,0,0,0|1,1,0]=4 1504 B9R0.5 CCOC=CC(=O)CCO 1458a_100016266692_100000211926 [0,2,0,0,0,0|1,1,0]=4 1505 B9R0.5 CCOC=CC(=O)NNC 22a_100016993582_100016266692 [0,2,0,0,0,0|0,1,0]=3 1506 B9R0.5 CCSCCC(=O)NNC 22a_100016993582_100000230768 [0,2,0,0,0,0|0,0,2]=4 1507 B9R0.5 CNNC(=O)C=CCOC 22a_100016993582_100016285016 [0,2,0,0,0,0|0,1,0]=3 1508 B9R0.5 CNNC(=O)CCCSC 22a_100016993582_100000173376 [0,2,0,0,0,0|0,0,2]=4 1509 B9R0.5 CNNC(=O)NCCSC 273464a_100020590264_100016993582 [0,2,0,0,0,0|0,0,2]=4 1510 B9R0.5 CNNC(=O)NCCSC 512a_100016993582_100020590264 [0,2,0,0,0,0|0,0,2]=4 1511 B9R0.5 CNNC(=O)NCCSC 512a_100020590264_100016993582 [0,2,0,0,0,0|0,0,2]=4 1512 B9R0.5 COCC=CC(=O)CCF 1458a_100016285016_100011217306 [0,2,0,0,0,0|1,1,0]=4 1513 B9R0.5 COCC=CC(=O)CCO 1458a_100016285016_100000211926 [0,2,0,0,0,0|1,1,0]=4 1514 B9R0.5 CSCSCC(=O)NCO 62a_100000185155_100011218213 [0,2,0,0,0,0|0,0,2]=4 1515 B9R0.5 CSCSCC(=O)NCO 62a_100011218213_100000185155 [0,2,0,0,0,0|0,0,2]=4 1516 B9R0.8 C#CC(C)C(=O)C=CCC 1458a_100000212282_200000035995 [0,2,0,0,0,0|2,0,0]=4 1517 B9R0.8 C#CC(C)C(=O)C=COC 1458a_100016268678_200000035995 [0,2,0,0,0,0|1,1,0]=4 1518 B9R0.8 C/C=C/CC(=O)C(=O)NC 1458a_100011218921_100102629194 [0,2,0,0,0,0|1,0,0]=3 1519 B9R0.8 C=C(CSCC)C(=O)OC 62a_100000210202_100009813391 [0,2,0,0,0,0|1,0,1]=4 1520 B9R0.8 C=C(CSCC)C(=O)OC 62a_100009813391_100000210202 [0,2,0,0,0,0|1,0,1]=4 1521 B9R0.8 C=C(CSCF)C(=O)OC 62a_100009813391_100015361967 [0,2,0,0,0,0|1,0,1]=4 1522 B9R0.8 C=C(CSCF)C(=O)OC 62a_100015361967_100009813391 [0,2,0,0,0,0|1,0,1]=4 1523 B9R0.8 C=CC=CC(=O)N(C)CC 1626a_100000225621_100016291481 [0,2,0,0,0,0|1,0,1]=4 1524 B9R0.8 CC#CCC(=O)C(=O)NC 1458a_100011218921_100000748600 [0,2,0,0,0,0|1,0,1]=4 1525 B9R0.8 CC=CCC(=O)C(=O)NC 1458a_100011218921_100000070051 [0,2,0,0,0,0|1,0,0]=3 1526 B9R0.8 CC=CCC(=O)N(C)CC 11a_100000225621_100121576822 [0,2,0,0,0,0|1,0,1]=4 1527 B9R0.8 CC=CCC(=O)N(C)CC 1626a_100000225621_100121576822 [0,2,0,0,0,0|1,0,1]=4 1528 B9R0.8 CC=CCC(=O)N(C)CC 240690a_100000225621_100121576822 [0,2,0,0,0,0|1,0,1]=4 1529 B9R0.8 CC=CCC(=O)N(C)CC 527a_100000225621_100121576822 [0,2,0,0,0,0|1,0,1]=4 1530 B9R0.8 CCC(C)C(=O)C=COC 1458a_100016268678_100000758301 [0,2,0,0,0,0|1,1,0]=4 1531 B9R0.8 CCC/C=C(\C)/C(=O)CC 1458a_200020648666_100000210202 [0,2,0,0,0,0|2,0,0]=4 1532 B9R0.8 CCC/C=C(\C)/C(=O)NC 11a_106832991635_200020648666 [0,2,0,0,0,0|1,0,0]=3 1533 B9R0.8 CCC/C=C(\C)/C(=O)NC 1626a_100102657272_200020648666 [0,2,0,0,0,0|1,0,0]=3 1534 B9R0.8 CCC/C=C(\C)/C(=O)NC 240690a_100102657272_200020648666 [0,2,0,0,0,0|1,0,0]=3 1535 B9R0.8 CCC=CC(=O)C(C)C#N 1458a_100000212282_100000703298 [0,2,0,0,0,0|2,0,0]=4 1536 B9R0.8 CCC=CC(=O)C(C)CC 1458a_100000212282_100000758301 [0,2,0,0,0,0|2,0,0]=4 1537 B9R0.8 CCC=CC(=O)N(C)CC 11a_100000225621_100000212282 [0,2,0,0,0,0|1,0,0]=3 1538 B9R0.8 CCC=CC(=O)N(C)CC 1626a_100000225621_100000212282 [0,2,0,0,0,0|1,0,0]=3 1539 B9R0.8 CCC=CC(=O)N(C)CC 240690a_100000225621_100000212282 [0,2,0,0,0,0|1,0,0]=3 1540 B9R0.8 CCCCC(=O)C(=O)NC 1458a_100011218921_100000210211 [0,2,0,0,0,0|1,0,1]=4 1541 B9R0.8 CCCNC(=O)C(=O)NC 1626a_100020643023_100011218921 [0,2,0,0,0,0|1,0,1]=4 1542 B9R0.8 CCCNC(=O)C(=O)NC 1626a_100102657272_200011297150 [0,2,0,0,0,0|1,0,1]=4 1543 B9R0.8 CCCNC(=O)C(=O)NC 240690a_100020643023_100011218921 [0,2,0,0,0,0|1,0,1]=4 1544 B9R0.8 CCCNC(=O)C(=O)NC 240690a_100102657272_200011297150 [0,2,0,0,0,0|1,0,1]=4 1545 B9R0.8 CCCNC(=O)C(=O)NC 527a_100020643023_100011218921 [0,2,0,0,0,0|1,0,1]=4 1546 B9R0.8 CCCNC(=O)C(=O)NC 527a_100102657272_200011297150 [0,2,0,0,0,0|1,0,1]=4 1547 B9R0.8 CCN(C)C(=O)C=COC 1626a_100000225621_100016268678 [0,2,0,0,0,0|0,1,0]=3 1548 B9R0.8 CCN(C)C(=O)C=COC 240690a_100000225621_100016268678 [0,2,0,0,0,0|0,1,0]=3 1549 B9R0.8 CCN(C)C(=O)CCSC 11a_100000225621_100000174002 [0,2,0,0,0,0|0,0,2]=4 1550 B9R0.8 CCN(C)C(=O)CCSC 1626a_100000225621_100000174002 [0,2,0,0,0,0|0,0,2]=4 1551 B9R0.8 CCN(C)C(=O)CCSC 240690a_100000225621_100000174002 [0,2,0,0,0,0|0,0,2]=4 1552 B9R0.8 CCN(C)C(=O)CCSC 527a_100000225621_100000174002 [0,2,0,0,0,0|0,0,2]=4 1553 B9R0.8 CCNNC(=O)C(=O)NC 22a_100000756455_100011218921 [0,2,0,0,0,0|2,0,0]=4 1554 B9R0.8 CCSCC(=O)C(=O)OC 62a_100000210202_100011610305 [0,2,0,0,0,0|1,0,1]=4 1555 B9R0.8 CCSCC(=O)C(=O)OC 62a_100011610305_100000210202 [0,2,0,0,0,0|1,0,1]=4 1556 B9R0.8 CNC(=O)C(=O)CCCF 1458a_100011218921_100011934791 [0,2,0,0,0,0|1,0,1]=4 1557 B9R0.8 CNC(=O)C(=O)CCCO 1458a_100011218921_100011215043 [0,2,0,0,0,0|1,0,1]=4 1558 B9R0.8 CNC(=O)C(=O)CCOC 1458a_100011218921_100000233755 [0,2,0,0,0,0|0,1,1]=4 1559 B9R0.8 CNC(=O)C(=O)CCSC 1458a_100011218921_100000751147 [0,2,0,0,0,0|0,0,1]=3 1560 B9R0.8 CNC(=O)C(=O)NCCF 1626a_100000724931_100011218921 [0,2,0,0,0,0|2,0,0]=4 1561 B9R0.8 CNC(=O)C(=O)NCCF 240690a_100000724931_100011218921 [0,2,0,0,0,0|2,0,0]=4 1562 B9R0.8 CNC(=O)C(=O)NCCF 527a_100000724931_100011218921 [0,2,0,0,0,0|2,0,0]=4 1563 B9R0.8 CNC(=O)C(=O)NCCO 240690a_100000210304_100011218921 [0,2,0,0,0,0|2,0,0]=4 1564 B9R0.8 CNC(=O)C(=O)NCCO 527a_100000210304_100011218921 [0,2,0,0,0,0|2,0,0]=4 1565 B9R0.8 CNC(=O)C(C)SCSC 62a_100000209862_100011218213 [0,2,0,0,0,0|0,0,2]=4 1566 B9R0.8 CNC(=O)C(C)SCSC 62a_100011218213_100000731044 [0,2,0,0,0,0|0,0,2]=4 1567 B9R0.8 CNC(=O)C(F)SCSC 62a_100009813575_100011218213 [0,2,0,0,0,0|0,0,2]=4 1568 B9R0.8 CNC(=O)C(F)SCSC 62a_100011218213_100009813575 [0,2,0,0,0,0|0,0,2]=4 1569 B9R0.8 CNC(=O)C(O)CCSC 240690a_100102657272_100000685904 [0,2,0,0,0,0|0,0,2]=4 1570 B9R0.8 CNC(=O)N(C)CCSC 2708a_100102657272_100000686725 [0,2,0,0,0,0|0,0,2]=4 1571 B9R0.8 CNC(=O)N(C)CCSC 273464a_100102657272_100000686725 [0,2,0,0,0,0|0,0,2]=4 1572 B9R0.8 CNC(=O)[C@@H](C)NCSC 2230a_100000684985_100011218213 [0,2,0,0,0,0|0,0,2]=4 1573 B9R0.8 CNC(=O)[C@@H](C)NCSC 34a_100000684985_100011218213 [0,2,0,0,0,0|0,0,2]=4 1574 B9R0.8 COC(=O)C(=O)CSCF 62a_100011610305_100015361967 [0,2,0,0,0,0|1,0,1]=4 1575 B9R0.8 COC(=O)C(=O)CSCF 62a_100015361967_100011610305 [0,2,0,0,0,0|1,0,1]=4 1576 B9R0.8 COC=CC(=O)C(C)C#N 1458a_100016268678_100000703298 [0,2,0,0,0,0|1,1,0]=4 1577 B9R0.18 C#CCCC(=O)C=CCC 1458a_100000212282_100000753159 [0,2,0,0,0,0|2,0,0]=4 1578 B9R0.18 C#CCCC(=O)C=COC 1458a_100016268678_100000753159 [0,2,0,0,0,0|1,1,0]=4 1579 B9R0.18 C#CCNC(=O)C=CC=C 1626a_100000212058_100016291481 [0,2,0,0,0,0|1,0,1]=4 1580 B9R0.18 C#CCNC(=O)C=CCC 11a_100000212058_100000212282 [0,2,0,0,0,0|1,0,0]=3 1581 B9R0.18 C#CCNC(=O)C=CCC 1626a_100000212058_100000212282 [0,2,0,0,0,0|1,0,0]=3 1582 B9R0.18 C#CCNC(=O)C=CCC 240690a_100000212058_100000212282 [0,2,0,0,0,0|1,0,0]=3 1583 B9R0.18 C#CCNC(=O)C=COC 1626a_100000212058_100016268678 [0,2,0,0,0,0|0,1,0]=3 1584 B9R0.18 C#CCNC(=O)C=COC 240690a_100000212058_100016268678 [0,2,0,0,0,0|0,1,0]=3 1585 B9R0.18 C#CCNC(=O)CC=CC 11a_100000212058_100121576822 [0,2,0,0,0,0|1,0,1]=4 1586 B9R0.18 C#CCNC(=O)CC=CC 1626a_100000212058_100121576822 [0,2,0,0,0,0|1,0,1]=4 1587 B9R0.18 C#CCNC(=O)CC=CC 240690a_100000212058_100121576822 [0,2,0,0,0,0|1,0,1]=4 1588 B9R0.18 C#CCNC(=O)CC=CC 527a_100000212058_100121576822 [0,2,0,0,0,0|1,0,1]=4 1589 B9R0.18 C#CCNC(=O)CCSC 11a_100000212058_100000174002 [0,2,0,0,0,0|0,0,2]=4 1590 B9R0.18 C#CCNC(=O)CCSC 1626a_100000212058_100000174002 [0,2,0,0,0,0|0,0,2]=4 1591 B9R0.18 C#CCNC(=O)CCSC 240690a_100000212058_100000174002 [0,2,0,0,0,0|0,0,2]=4 1592 B9R0.18 C#CCNC(=O)CCSC 527a_100000212058_100000174002 [0,2,0,0,0,0|0,0,2]=4 1593 B9R0.18 C/C=C/CC(=O)C=CCC 1458a_100000212282_100102629194 [0,2,0,0,0,0|2,0,0]=4 1594 B9R0.18 C/C=C/CC(=O)C=COC 1458a_100016268678_100102629194 [0,2,0,0,0,0|1,1,0]=4 1595 B9R0.18 C=CC=CC(=O)NCC#N 1626a_100000734998_100016291481 [0,2,0,0,0,0|1,0,1]=4 1596 B9R0.18 C=CC=CC(=O)NCC=C 1626a_100020586998_100016291481 [0,2,0,0,0,0|1,0,1]=4 1597 B9R0.18 C=CC=CC(=O)NCCC 1626a_100020643023_100016291481 [0,2,0,0,0,0|1,0,1]=4 1598 B9R0.18 C=CC=CC(=O)NCCF 1626a_100000724931_100016291481 [0,2,0,0,0,0|1,0,1]=4 1599 B9R0.18 C=CC=CC(=O)NNCC 22a_100000756455_100016291481 [0,2,0,0,0,0|1,0,1]=4 1600 B9R0.18 C=CCCC(=O)C=CCC 1458a_100000212282_100000754431 [0,2,0,0,0,0|2,0,0]=4 1601 B9R0.18 C=CCCC(=O)C=COC 1458a_100016268678_100000754431 [0,2,0,0,0,0|1,1,0]=4 1602 B9R0.18 C=CCNC(=O)C=CCC 1626a_100020586998_100000212282 [0,2,0,0,0,0|1,0,0]=3 1603 B9R0.18 C=CCNC(=O)C=CCC 240690a_100020586998_100000212282 [0,2,0,0,0,0|1,0,0]=3 1604 B9R0.18 C=CCNC(=O)C=COC 1626a_100020586998_100016268678 [0,2,0,0,0,0|0,1,0]=3 1605 B9R0.18 C=CCNC(=O)C=COC 240690a_100020586998_100016268678 [0,2,0,0,0,0|0,1,0]=3 1606 B9R0.18 C=CCNC(=O)CC=CC 1626a_100020586998_100121576822 [0,2,0,0,0,0|1,0,1]=4 1607 B9R0.18 C=CCNC(=O)CC=CC 240690a_100020586998_100121576822 [0,2,0,0,0,0|1,0,1]=4 1608 B9R0.18 C=CCNC(=O)CC=CC 527a_100020586998_100121576822 [0,2,0,0,0,0|1,0,1]=4 1609 B9R0.18 C=CCNC(=O)CCSC 1626a_100020586998_100000174002 [0,2,0,0,0,0|0,0,2]=4 1610 B9R0.18 C=CCNC(=O)CCSC 240690a_100020586998_100000174002 [0,2,0,0,0,0|0,0,2]=4 1611 B9R0.18 C=CCNC(=O)CCSC 527a_100020586998_100000174002 [0,2,0,0,0,0|0,0,2]=4 1612 B9R0.18 C=CCNC(=O)CCSC 62a_100011222895_200000210301 [0,2,0,0,0,0|0,0,2]=4 1613 B9R0.18 C=CCNC(=O)CCSC 62a_200000210301_100011222895 [0,2,0,0,0,0|0,0,2]=4 1614 B9R0.18 C=CCNC(=O)CCS[13CH3] 62a_100011222895_200025704644 [0,2,0,0,0,0|0,0,2]=4 1615 B9R0.18 C=CCNC(=O)CCS[13CH3] 62a_200025704644_100011222895 [0,2,0,0,0,0|0,0,2]=4 1616 B9R0.18 CC#CCC(=O)C=CCC 1458a_100000212282_100000748600 [0,2,0,0,0,0|2,0,0]=4 1617 B9R0.18 CC#CCC(=O)C=COC 1458a_100016268678_100000748600 [0,2,0,0,0,0|1,1,0]=4 1618 B9R0.18 CC=CCC(=O)C=CCC 1458a_100000212282_100000070051 [0,2,0,0,0,0|2,0,0]=4 1619 B9R0.18 CC=CCC(=O)C=COC 1458a_100016268678_100000070051 [0,2,0,0,0,0|1,1,0]=4 1620 B9R0.18 CC=CCC(=O)NCC#N 1626a_100000734998_100121576822 [0,2,0,0,0,0|1,0,1]=4 1621 B9R0.18 CC=CCC(=O)NCC#N 527a_100000734998_100121576822 [0,2,0,0,0,0|1,0,1]=4 1622 B9R0.18 CC=CCC(=O)NCCC 11a_100020643023_100121576822 [0,2,0,0,0,0|1,0,1]=4 1623 B9R0.18 CC=CCC(=O)NCCC 1626a_100020643023_100121576822 [0,2,0,0,0,0|1,0,1]=4 1624 B9R0.18 CC=CCC(=O)NCCC 240690a_100020643023_100121576822 [0,2,0,0,0,0|1,0,1]=4 1625 B9R0.18 CC=CCC(=O)NCCC 527a_100020643023_100121576822 [0,2,0,0,0,0|1,0,1]=4 1626 B9R0.18 CC=CCC(=O)NCCF 11a_100000724931_100121576822 [0,2,0,0,0,0|1,0,1]=4 1627 B9R0.18 CC=CCC(=O)NCCF 1626a_100000724931_100121576822 [0,2,0,0,0,0|1,0,1]=4 1628 B9R0.18 CC=CCC(=O)NCCF 240690a_100000724931_100121576822 [0,2,0,0,0,0|1,0,1]=4 1629 B9R0.18 CC=CCC(=O)NCCF 527a_100000724931_100121576822 [0,2,0,0,0,0|1,0,1]=4 1630 B9R0.18 CC=CCC(=O)NCCO 240690a_100000210304_100121576822 [0,2,0,0,0,0|1,0,1]=4 1631 B9R0.18 CC=CCC(=O)NCCO 527a_100000210304_100121576822 [0,2,0,0,0,0|1,0,1]=4 1632 B9R0.18 CC=CCC(=O)NNCC 22a_100000756455_100121576822 [0,2,0,0,0,0|1,0,1]=4 1633 B9R0.18 CCC=CC(=O)CCC#N 1458a_100000212282_100011215226 [0,2,0,0,0,0|2,0,0]=4 1634 B9R0.18 CCC=CC(=O)CCCC 1458a_100000212282_100000210211 [0,2,0,0,0,0|2,0,0]=4 1635 B9R0.18 CCC=CC(=O)CCCF 1458a_100000212282_100011934791 [0,2,0,0,0,0|2,0,0]=4 1636 B9R0.18 CCC=CC(=O)CCCO 1458a_100000212282_100011215043 [0,2,0,0,0,0|2,0,0]=4 1637 B9R0.18 CCC=CC(=O)CCOC 1458a_100000212282_100000233755 [0,2,0,0,0,0|2,0,0]=4 1638 B9R0.18 CCC=CC(=O)CCSC 1458a_100000212282_100000751147 [0,2,0,0,0,0|2,0,0]=4 1639 B9R0.18 CCC=CC(=O)NCC#N 1626a_100000734998_100000212282 [0,2,0,0,0,0|1,0,0]=3 1640 B9R0.18 CCC=CC(=O)NCCC 11a_100020643023_100000212282 [0,2,0,0,0,0|1,0,0]=3 1641 B9R0.18 CCC=CC(=O)NCCC 1626a_100020643023_100000212282 [0,2,0,0,0,0|1,0,0]=3 1642 B9R0.18 CCC=CC(=O)NCCC 240690a_100020643023_100000212282 [0,2,0,0,0,0|1,0,0]=3 1643 B9R0.18 CCC=CC(=O)NCCF 11a_100000724931_100000212282 [0,2,0,0,0,0|1,0,0]=3 1644 B9R0.18 CCC=CC(=O)NCCF 1626a_100000724931_100000212282 [0,2,0,0,0,0|1,0,0]=3 1645 B9R0.18 CCC=CC(=O)NCCF 240690a_100000724931_100000212282 [0,2,0,0,0,0|1,0,0]=3 1646 B9R0.18 CCC=CC(=O)NCCO 240690a_100000210304_100000212282 [0,2,0,0,0,0|1,0,0]=3 1647 B9R0.18 CCC=CC(=O)NNCC 22a_100000756455_100000212282 [0,2,0,0,0,0|1,0,0]=3 1648 B9R0.18 CCCCC(=O)C=COC 1458a_100016268678_100000210211 [0,2,0,0,0,0|1,1,0]=4 1649 B9R0.18 CCCNC(=O)C=COC 1626a_100020643023_100016268678 [0,2,0,0,0,0|0,1,0]=3 1650 B9R0.18 CCCNC(=O)C=COC 240690a_100020643023_100016268678 [0,2,0,0,0,0|0,1,0]=3 1651 B9R0.18 CCCNC(=O)CCSC 11a_100020643023_100000174002 [0,2,0,0,0,0|0,0,2]=4 1652 B9R0.18 CCCNC(=O)CCSC 1626a_100020643023_100000174002 [0,2,0,0,0,0|0,0,2]=4 1653 B9R0.18 CCCNC(=O)CCSC 240690a_100020643023_100000174002 [0,2,0,0,0,0|0,0,2]=4 1654 B9R0.18 CCCNC(=O)CCSC 527a_100020643023_100000174002 [0,2,0,0,0,0|0,0,2]=4 1655 B9R0.18 CCNN=C(C)C=COC 4a_100000756455_100102564965 [0,2,0,0,0,0|1,1,0]=4 1656 B9R0.18 CCNNC(=O)C=COC 22a_100000756455_100016268678 [0,2,0,0,0,0|0,1,0]=3 1657 B9R0.18 CCNNC(=O)CCSC 22a_100000756455_100000174002 [0,2,0,0,0,0|0,0,2]=4 1658 B9R0.18 COC=CC(=O)CCC#N 1458a_100016268678_100011215226 [0,2,0,0,0,0|1,1,0]=4 1659 B9R0.18 COC=CC(=O)CCCF 1458a_100016268678_100011934791 [0,2,0,0,0,0|1,1,0]=4 1660 B9R0.18 COC=CC(=O)CCCO 1458a_100016268678_100011215043 [0,2,0,0,0,0|1,1,0]=4 1661 B9R0.18 COC=CC(=O)CCOC 1458a_100016268678_100000233755 [0,2,0,0,0,0|1,1,0]=4 1662 B9R0.18 COC=CC(=O)CCSC 1458a_100016268678_100000751147 [0,2,0,0,0,0|1,1,0]=4 1663 B9R0.18 COC=CC(=O)NCC#N 1626a_100000734998_100016268678 [0,2,0,0,0,0|0,1,0]=3 1664 B9R0.18 COC=CC(=O)NCCF 1626a_100000724931_100016268678 [0,2,0,0,0,0|0,1,0]=3 1665 B9R0.18 COC=CC(=O)NCCF 240690a_100000724931_100016268678 [0,2,0,0,0,0|0,1,0]=3 1666 B9R0.18 COC=CC(=O)NCCO 240690a_100000210304_100016268678 [0,2,0,0,0,0|0,1,0]=3 1667 B9R0.18 CSCCC(=O)NCC#N 1626a_100000734998_100000174002 [0,2,0,0,0,0|0,0,2]=4 1668 B9R0.18 CSCCC(=O)NCC#N 527a_100000734998_100000174002 [0,2,0,0,0,0|0,0,2]=4 1669 B9R0.18 CSCCC(=O)NCCF 11a_100000724931_100000174002 [0,2,0,0,0,0|0,0,2]=4 1670 B9R0.18 CSCCC(=O)NCCF 1626a_100000724931_100000174002 [0,2,0,0,0,0|0,0,2]=4 1671 B9R0.18 CSCCC(=O)NCCF 240690a_100000724931_100000174002 [0,2,0,0,0,0|0,0,2]=4 1672 B9R0.18 CSCCC(=O)NCCF 527a_100000724931_100000174002 [0,2,0,0,0,0|0,0,2]=4 1673 B9R0.18 CSCCC(=O)NCCO 240690a_100000210304_100000174002 [0,2,0,0,0,0|0,0,2]=4 1674 B9R0.18 CSCCC(=O)NCCO 527a_100000210304_100000174002 [0,2,0,0,0,0|0,0,2]=4 1675 B9R0.34 C=C(CCC)CC(=O)NC 11a_106832991635_100000138376 [0,2,0,0,0,0|1,0,1]=4 1676 B9R0.34 C=C(CCC)CC(=O)NC 240690a_100102657272_100000138376 [0,2,0,0,0,0|1,0,1]=4 1677 B9R0.34 C=C(CCC)CC(=O)NC 527a_100102657272_100000138376 [0,2,0,0,0,0|1,0,1]=4 1678 B9R0.34 CC#CC(=O)CC(=O)NC 1458a_100000763181_100000183359 [0,2,0,0,0,0|1,0,1]=4 1679 B9R0.34 CC=CC(=O)CC(=O)CC 1458a_100000210699_100000747405 [0,2,0,0,0,0|2,0,0]=4 1680 B9R0.34 CC=CC(=O)CC(=O)NC 1458a_100000210699_100000183359 [0,2,0,0,0,0|1,0,0]=3 1681 B9R0.34 CC=CC(=O)CC(=O)OC 1458a_100000210699_100000747449 [0,2,0,0,0,0|2,0,0]=4 1682 B9R0.34 CCC(=CC(=O)CCF)C 1458a_100020758463_100011217306 [0,2,0,0,0,0|2,0,0]=4 1683 B9R0.34 CCC(=CC(=O)CCO)C 1458a_100020758463_100000211926 [0,2,0,0,0,0|2,0,0]=4 1684 B9R0.34 CCC(=CC(=O)NNC)C 22a_100016993582_100020758463 [0,2,0,0,0,0|1,0,0]=3 1685 B9R0.34 CCC(=O)CC(=O)CSC 1458a_100000184570_100000747405 [0,2,0,0,0,0|1,0,1]=4 1686 B9R0.34 CCC(=O)CC(=O)NCO 1458a_100000210414_100000185155 [0,2,0,0,0,0|1,0,1]=4 1687 B9R0.34 CCCC(=CC(=O)CC)C 1458a_100020676950_100000210202 [0,2,0,0,0,0|2,0,0]=4 1688 B9R0.34 CCCC(=CC(=O)NC)C 11a_106832991635_100020676950 [0,2,0,0,0,0|1,0,0]=3 1689 B9R0.34 CCCC(=CC(=O)NC)C 1626a_100102657272_100020676950 [0,2,0,0,0,0|1,0,0]=3 1690 B9R0.34 CCCC(=CC(=O)NC)C 240690a_100102657272_100020676950 [0,2,0,0,0,0|1,0,0]=3 1691 B9R0.34 CCCC(=O)C=C(C)CC 1458a_100020758463_100000210303 [0,2,0,0,0,0|2,0,0]=4 1692 B9R0.34 CCCC(=O)CC(=O)NC 1458a_100000211992_100000183359 [0,2,0,0,0,0|1,0,1]=4 1693 B9R0.34 CCNC(=O)C=C(C)CC 11a_100015525214_100020758463 [0,2,0,0,0,0|1,0,0]=3 1694 B9R0.34 CCNC(=O)C=C(C)CC 240690a_100015525214_100020758463 [0,2,0,0,0,0|1,0,0]=3 1695 B9R0.34 CCNC(=O)CC(=O)CC 1458a_100000210414_100000183381 [0,2,0,0,0,0|1,0,1]=4 1696 B9R0.34 CCNC(=O)CC(=O)OC 240690a_100015525214_100000211351 [0,2,0,0,0,0|0,1,1]=4 1697 B9R0.34 CCOC(=O)CC(=O)NC 240690a_100102657272_100000243816 [0,2,0,0,0,0|0,1,1]=4 1698 B9R0.34 CCSC(C)CC(=O)NC 11a_106832991635_200011311441 [0,2,0,0,0,0|0,0,2]=4 1699 B9R0.34 CCSC(C)CC(=O)NC 1626a_100102657272_200011311441 [0,2,0,0,0,0|0,0,2]=4 1700 B9R0.34 CCSC(C)CC(=O)NC 240690a_100102657272_200011311441 [0,2,0,0,0,0|0,0,2]=4 1701 B9R0.34 CCSC(C)CC(=O)NC 527a_100102657272_200011311441 [0,2,0,0,0,0|0,0,2]=4 1702 B9R0.34 CNC(=O)CC(=O)C=CBr 1458a_100016273825_100000183359 [0,2,0,0,0,0|2,0,0]=4 1703 B9R0.34 CNC(=O)CC(=O)C=CCl 1458a_200016279998_100000183359 [0,2,0,0,0,0|2,0,0]=4 1704 B9R0.34 CNC(=O)CC(=O)C=CI 1458a_100016256311_100000183359 [0,2,0,0,0,0|2,0,0]=4 1705 B9R0.34 CNC(=O)CC(=O)CCO 1458a_100011216618_100000183359 [0,2,0,0,0,0|1,0,1]=4 1706 B9R0.34 CNC(=O)CC(=O)COC 1458a_100000210968_100000183359 [0,2,0,0,0,0|0,1,1]=4 1707 B9R0.34 CNC(=O)CC(=O)CSC 1458a_100000184570_100000183359 [0,2,0,0,0,0|0,0,1]=3 1708 B9R0.34 CNC(=O)CN(C)CSC 2230a_100000189611_100011218213 [0,2,0,0,0,0|0,0,2]=4 1709 B9R0.34 CNNC(=O)CC(=O)OC 22a_100016993582_100000211351 [0,2,0,0,0,0|0,1,1]=4 1710 B9R0.34 COC(=O)CC(=O)CSC 1458a_100000184570_100000747449 [0,2,0,0,0,0|1,0,1]=4 1711 B9R0.34 COC(=O)CC(=O)CSC 62a_100000210525_200000210301 [0,2,0,0,0,0|1,0,1]=4 1712 B9R0.34 COC(=O)CC(=O)CSC 62a_200000210301_100000210525 [0,2,0,0,0,0|1,0,1]=4 1713 B9R0.34 COC(=O)CC(=O)CS[13CH3] 62a_100000210525_200025704644 [0,2,0,0,0,0|1,0,1]=4 1714 B9R0.34 COC(=O)CC(=O)CS[13CH3] 62a_200025704644_100000210525 [0,2,0,0,0,0|1,0,1]=4 1715 B9R0.34 COC(=O)NC(=O)CSC 62a_200000210301_100000010850 [0,2,0,0,0,0|1,0,1]=4 1716 B9R0.34 COC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000010850 [0,2,0,0,0,0|1,0,1]=4 1717 B9R0.35 C=C(CSC)C(=O)OCC 62a_100000755967_200000210301 [0,2,0,0,0,0|1,0,1]=4 1718 B9R0.35 C=C(CSC)C(=O)OCC 62a_200000210301_100000755967 [0,2,0,0,0,0|1,0,1]=4 1719 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_100000755967_200025704644 [0,2,0,0,0,0|1,0,1]=4 1720 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_200025704644_100000755967 [0,2,0,0,0,0|1,0,1]=4 1721 B9R0.35 CC/C=C(\C)/C(=O)CCC 1458a_100016988807_100000210303 [0,2,0,0,0,0|2,0,0]=4 1722 B9R0.35 CC/C=C(\C)/C(=O)CCF 1458a_100016988807_100011217306 [0,2,0,0,0,0|2,0,0]=4 1723 B9R0.35 CC/C=C(\C)/C(=O)CCO 1458a_100016988807_100000211926 [0,2,0,0,0,0|2,0,0]=4 1724 B9R0.35 CC/C=C(\C)/C(=O)NCC 11a_100015525214_100016988807 [0,2,0,0,0,0|1,0,0]=3 1725 B9R0.35 CC/C=C(\C)/C(=O)NCC 240690a_100015525214_100016988807 [0,2,0,0,0,0|1,0,0]=3 1726 B9R0.35 CC/C=C(\C)/C(=O)NCC 527a_100015525214_100016988807 [0,2,0,0,0,0|1,0,0]=3 1727 B9R0.35 CC/C=C(\C)/C(=O)NNC 22a_100016993582_100016988807 [0,2,0,0,0,0|1,0,0]=3 1728 B9R0.35 CCCC(=O)C(=O)NCC 1458a_200011297158_100000210303 [0,2,0,0,0,0|1,0,1]=4 1729 B9R0.35 CCNC(=O)/C(=N/OC)/C 11a_100015525214_100160996864 [0,2,0,0,0,0|1,1,0]=4 1730 B9R0.35 CCNC(=O)/C(=N/OC)/C 240690a_100015525214_100160996864 [0,2,0,0,0,0|1,1,0]=4 1731 B9R0.35 CCNC(=O)C(=O)NCC 240690a_100015525214_200011297158 [0,2,0,0,0,0|2,0,0]=4 1732 B9R0.35 CCNC(=O)C(=O)NCC 527a_100015525214_200011297158 [0,2,0,0,0,0|2,0,0]=4 1733 B9R0.35 CCNC(=O)C(=O)NNC 22a_100016993582_200011297158 [0,2,0,0,0,0|2,0,0]=4 1734 B9R0.35 CCNC(=O)C(=O)OCC 11a_100015525214_100014798877 [0,2,0,0,0,0|2,0,0]=4 1735 B9R0.35 CCNC(=O)C(=O)OCC 240690a_100015525214_100014798877 [0,2,0,0,0,0|2,0,0]=4 1736 B9R0.35 CCNC(=O)C(C)CSC 11a_100015525214_100000753918 [0,2,0,0,0,0|0,0,2]=4 1737 B9R0.35 CCNC(=O)C(C)CSC 240690a_100015525214_100000753918 [0,2,0,0,0,0|0,0,2]=4 1738 B9R0.35 CCNC(=O)C(C)CSC 527a_100015525214_100000753918 [0,2,0,0,0,0|0,0,2]=4 1739 B9R0.35 CCOC(=O)C(=O)CSC 62a_100000211299_200000210301 [0,2,0,0,0,0|1,0,1]=4 1740 B9R0.35 CCOC(=O)C(=O)CSC 62a_200000210301_100000211299 [0,2,0,0,0,0|1,0,1]=4 1741 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_100000211299_200025704644 [0,2,0,0,0,0|1,0,1]=4 1742 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_200025704644_100000211299 [0,2,0,0,0,0|1,0,1]=4 1743 B9R0.35 CNNC(=O)/C(=N/OC)/C 22a_100016993582_100160996864 [0,2,0,0,0,0|1,1,0]=4 1744 B9R0.35 CNNC(=O)C(C)CSC 22a_100016993582_100000753918 [0,2,0,0,0,0|0,0,2]=4 1745 B9R0.48 CC(C)C=CC(=O)CCF 1458a_100016268746_100011217306 [0,2,0,0,0,0|2,0,0]=4 1746 B9R0.48 CC(C)C=CC(=O)CCO 1458a_100016268746_100000211926 [0,2,0,0,0,0|2,0,0]=4 1747 B9R0.48 CCCC(=O)C=CC(C)C 1458a_100016268746_100000210303 [0,2,0,0,0,0|2,0,0]=4 1748 B9R0.48 CCNC(=O)C=CC(C)C 11a_100015525214_100016268746 [0,2,0,0,0,0|1,0,0]=3 1749 B9R0.48 CCNC(=O)C=CC(C)C 240690a_100015525214_100016268746 [0,2,0,0,0,0|1,0,0]=3 1750 B9R0.48 CCNC(=O)CC=C(C)C 11a_100015525214_100011220947 [0,2,0,0,0,0|1,0,1]=4 1751 B9R0.48 CCNC(=O)CC=C(C)C 240690a_100015525214_100011220947 [0,2,0,0,0,0|1,0,1]=4 1752 B9R0.48 CCNC(=O)CC=C(C)C 527a_100015525214_100011220947 [0,2,0,0,0,0|1,0,1]=4 1753 B9R0.48 CCOC(=O)C=CC(=O)C 1458a_100000210415_200000210301 [0,2,0,0,0,0|2,0,0]=4 1754 B9R0.48 CCOC(=O)C=CC(=O)[13CH3] 1458a_100000210415_200025704644 [0,2,0,0,0,0|2,0,0]=4 1755 B9R0.48 CNNC(=O)C=CC(C)C 22a_100016993582_100016268746 [0,2,0,0,0,0|1,0,0]=3 1756 B9R0.48 CNNC(=O)CC=C(C)C 22a_100016993582_100011220947 [0,2,0,0,0,0|1,0,1]=4 1757 B9R0.6 CC/C=C(\C)/C(=O)C(C)C 1458a_100016988807_100000210206 [0,2,0,0,0,0|2,0,0]=4 1758 B9R0.6 CC/C=C(\C)/C(=O)N(C)C 11a_100102631434_100016988807 [0,2,0,0,0,0|1,0,0]=3 1759 B9R0.6 CC/C=C(\C)/C(=O)N(C)C 1626a_100102631434_100016988807 [0,2,0,0,0,0|1,0,0]=3 1760 B9R0.6 CC/C=C(\C)/C(=O)N(C)C 240690a_100102631434_100016988807 [0,2,0,0,0,0|1,0,0]=3 1761 B9R0.6 CC/C=C(\C)/C(=O)N(C)C 527a_100102631434_100016988807 [0,2,0,0,0,0|1,0,0]=3 1762 B9R0.6 CCCC(=O)C(=O)N(C)C 1458a_100011218876_100000210303 [0,2,0,0,0,0|1,0,1]=4 1763 B9R0.6 CCNC(=O)C(=O)N(C)C 1626a_100102631434_200011297158 [0,2,0,0,0,0|2,0,0]=4 1764 B9R0.6 CCNC(=O)C(=O)N(C)C 240690a_100015525214_100011218876 [0,2,0,0,0,0|2,0,0]=4 1765 B9R0.6 CCNC(=O)C(=O)N(C)C 240690a_100102631434_200011297158 [0,2,0,0,0,0|2,0,0]=4 1766 B9R0.6 CCNC(=O)C(=O)N(C)C 527a_100015525214_100011218876 [0,2,0,0,0,0|2,0,0]=4 1767 B9R0.6 CCNC(=O)C(=O)N(C)C 527a_100102631434_200011297158 [0,2,0,0,0,0|2,0,0]=4 1768 B9R0.6 CCOC(=O)C(=O)N(C)C 11a_100102631434_100014798877 [0,2,0,0,0,0|2,0,0]=4 1769 B9R0.6 CCOC(=O)C(=O)N(C)C 1626a_100102631434_100014798877 [0,2,0,0,0,0|2,0,0]=4 1770 B9R0.6 CCOC(=O)C(=O)N(C)C 240690a_100102631434_100014798877 [0,2,0,0,0,0|2,0,0]=4 1771 B9R0.6 CNNC(=O)C(=O)N(C)C 22a_100016993582_100011218876 [0,2,0,0,0,0|2,0,0]=4 1772 B9R0.6 CO/N=C(\C)/C(=O)N(C)C 11a_100102631434_100160996864 [0,2,0,0,0,0|1,1,0]=4 1773 B9R0.6 CO/N=C(\C)/C(=O)N(C)C 240690a_100102631434_100160996864 [0,2,0,0,0,0|1,1,0]=4 1774 B9R0.6 CSCC(C)C(=O)N(C)C 11a_100102631434_100000753918 [0,2,0,0,0,0|0,0,2]=4 1775 B9R0.6 CSCC(C)C(=O)N(C)C 1626a_100102631434_100000753918 [0,2,0,0,0,0|0,0,2]=4 1776 B9R0.6 CSCC(C)C(=O)N(C)C 240690a_100102631434_100000753918 [0,2,0,0,0,0|0,0,2]=4 1777 B9R0.6 CSCC(C)C(=O)N(C)C 527a_100102631434_100000753918 [0,2,0,0,0,0|0,0,2]=4 1778 B9R0.23 C=C(C)CC(=O)C(=O)NC 1458a_100011218921_100000748629 [0,2,0,0,0,0|1,0,1]=4 1779 B9R0.23 C=C(NC(=O)C)C(=O)NC 240690a_100102657272_100000758921 [0,2,0,0,0,0|2,0,0]=4 1780 B9R0.23 CNC(=O)C(=O)CC(C)C 1458a_100011218921_100000210624 [0,2,0,0,0,0|1,0,1]=4 1781 B9R0.23 CNC(=O)C(=O)CC(C)O 1458a_100011218921_100011218427 [0,2,0,0,0,0|1,0,1]=4 1782 B9R0.23 CNC(=O)C(=O)NC(C)C 1626a_100102657272_100011220036 [0,2,0,0,0,0|2,0,0]=4 1783 B9R0.23 CNC(=O)C(=O)NC(C)C 1626a_100138425928_100011218921 [0,2,0,0,0,0|2,0,0]=4 1784 B9R0.23 CNC(=O)C(=O)NC(C)C 240690a_100102657272_100011220036 [0,2,0,0,0,0|2,0,0]=4 1785 B9R0.23 CNC(=O)C(=O)NC(C)C 240690a_100138425928_100011218921 [0,2,0,0,0,0|2,0,0]=4 1786 B9R0.23 CNC(=O)C(=O)NC(C)C 527a_100102657272_100011220036 [0,2,0,0,0,0|2,0,0]=4 1787 B9R0.23 CNC(=O)C(=O)NC(C)C 527a_100138425928_100011218921 [0,2,0,0,0,0|2,0,0]=4 1788 B9R0.27 CCC(=O)C(C)C(=O)NC 1458a_100000210414_100000209862 [0,2,0,0,0,0|1,0,1]=4 1789 B9R0.27 CCC(=O)C(F)C(=O)NC 1458a_100000210414_100009813575 [0,2,0,0,0,0|1,0,1]=4 1790 B9R0.27 CCC(C)C(=O)C(=O)NC 1458a_100011218921_100000758301 [0,2,0,0,0,0|1,0,1]=4 1791 B9R0.27 CCN(C)C(=O)C(=O)NC 1626a_100000225621_100011218921 [0,2,0,0,0,0|2,0,0]=4 1792 B9R0.27 CCN(C)C(=O)C(=O)NC 240690a_100000225621_100011218921 [0,2,0,0,0,0|2,0,0]=4 1793 B9R0.27 CCN(C)C(=O)C(=O)NC 527a_100000225621_100011218921 [0,2,0,0,0,0|2,0,0]=4 1794 B9R0.27 CNC(=O)C(C)C(=O)OC 11a_106832991635_100012027023 [0,2,0,0,0,0|0,1,1]=4 1795 B9R0.27 CNC(=O)C(C)C(=O)OC 1626a_100102657272_100012027023 [0,2,0,0,0,0|0,1,1]=4 1796 B9R0.27 CNC(=O)C(C)C(=O)OC 240690a_100102657272_100012027023 [0,2,0,0,0,0|0,1,1]=4 1797 B9R0.27 CNC(=O)C(C)C(=O)OC 527a_100102657272_100012027023 [0,2,0,0,0,0|0,1,1]=4 1798 B9R0.27 COC(=O)C(=O)C(C)SC 62a_100000692041_200000210301 [0,2,0,0,0,0|1,0,1]=4 1799 B9R0.27 COC(=O)C(=O)C(C)SC 62a_200000210301_100000692041 [0,2,0,0,0,0|1,0,1]=4 1800 B9R0.27 COC(=O)C(=O)C(C)S[13CH3] 62a_100000692041_200025704644 [0,2,0,0,0,0|1,0,1]=4 1801 B9R0.27 COC(=O)C(=O)C(C)S[13CH3] 62a_200025704644_100000692041 [0,2,0,0,0,0|1,0,1]=4 1802 B9R0.60 CNC(=O)C(C)(C)CSC 62a_100000702813_200000210301 [0,2,0,0,0,0|0,0,2]=4 1803 B9R0.60 CNC(=O)C(C)(C)CSC 62a_200000210301_100000702813 [0,2,0,0,0,0|0,0,2]=4 1804 B9R0.60 CNC(=O)C(C)(C)CS[13CH3] 62a_100000702813_200025704644 [0,2,0,0,0,0|0,0,2]=4 1805 B9R0.60 CNC(=O)C(C)(C)CS[13CH3] 62a_200025704644_100000702813 [0,2,0,0,0,0|0,0,2]=4 1806 B9R0.1 CCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210202 [0,2,0,0,0,0|2,0,0]=4 1807 B9R0.1 CCC(=O)C=CCN(C)C 1458a_100000754359_100000210202 [0,2,0,0,0,0|2,0,0]=4 1808 B9R0.1 CNC(=O)C/C=C/C(C)C 11a_106832991635_100016292215 [0,2,0,0,0,0|1,0,0]=3 1809 B9R0.1 CNC(=O)C/C=C/C(C)C 1626a_100102657272_100016292215 [0,2,0,0,0,0|1,0,0]=3 1810 B9R0.1 CNC(=O)C/C=C/C(C)C 240690a_100102657272_100016292215 [0,2,0,0,0,0|1,0,0]=3 1811 B9R0.1 CNC(=O)C=CCN(C)C 240690a_100102657272_100000754359 [0,2,0,0,0,0|1,0,0]=3 1812 B9R0.1 CNC(=O)CCSC(=O)C 1626a_100102657272_100000048949 [0,2,0,0,0,0|0,0,2]=4 1813 B9R0.1 CNC(=O)CCSC(=O)C 240690a_100102657272_100000048949 [0,2,0,0,0,0|0,0,2]=4 1814 B9R0.1 CNC(=O)CCSC(C)C 62a_100000210206_100000737683 [0,2,0,0,0,0|0,0,2]=4 1815 B9R0.1 CNC(=O)CCSC(C)C 62a_100000737683_100000210206 [0,2,0,0,0,0|0,0,2]=4 1816 B9R0.1 CNC(=O)NCC=C(C)C 2708a_100000718196_106832991635 [0,2,0,0,0,0|1,0,1]=4 1817 B9R0.1 CNC(=O)NCC=C(C)C 2708a_100102657272_100000718196 [0,2,0,0,0,0|1,0,1]=4 1818 B9R0.1 CNC(=O)NCC=C(C)C 273464a_100000718196_100102657272 [0,2,0,0,0,0|1,0,1]=4 1819 B9R0.1 CNC(=O)NCC=C(C)C 273464a_100102657272_100000718196 [0,2,0,0,0,0|1,0,1]=4 1820 B9R0.1 CNC(=O)NCC=C(C)C 512a_100000718196_100102657272 [0,2,0,0,0,0|1,0,1]=4 1821 B9R0.1 CNC(=O)NCC=C(C)C 512a_106832991638_100000718196 [0,2,0,0,0,0|1,0,1]=4 1822 B9R0.1 COC(=O)/C=C/CN(C)C 2230a_100102631434_100000742655 [0,2,0,0,0,0|2,0,0]=4 1823 B9R0.1 COC(=O)/C=C/CN(C)C 269982a_100102631434_100000742655 [0,2,0,0,0,0|2,0,0]=4 1824 B9R0.24 CC=C(C)C=CC(=O)CC 1458a_100000692105_100000210202 [0,2,0,0,0,0|2,0,0]=4 1825 B9R0.24 CC=C(C)C=CC(=O)NC 1626a_100102657272_100000692105 [0,2,0,0,0,0|1,0,0]=3 1826 B9R0.24 CCC(=O)C=CC(=O)NC 1458a_100016259477_100000210202 [0,2,0,0,0,0|1,0,0]=3 1827 B9R0.24 CCC(=O)CCC(=O)NC 1458a_100011309844_100000210202 [0,2,0,0,0,0|1,0,1]=4 1828 B9R0.24 CCC(=O)NCC(=O)NC 11a_100000693194_100000210414 [0,2,0,0,0,0|1,0,1]=4 1829 B9R0.24 CCC(=O)NCC(=O)NC 11a_106832991635_100000194589 [0,2,0,0,0,0|1,0,1]=4 1830 B9R0.24 CCC(=O)NCC(=O)NC 1626a_100102657272_100000194589 [0,2,0,0,0,0|1,0,1]=4 1831 B9R0.24 CCC(=O)NCC(=O)NC 240690a_100000693194_100000210414 [0,2,0,0,0,0|1,0,1]=4 1832 B9R0.24 CCC(=O)NCC(=O)NC 240690a_100102657272_100000194589 [0,2,0,0,0,0|1,0,1]=4 1833 B9R0.24 CCC(=O)NCC(=O)NC 527a_100000693194_100000210414 [0,2,0,0,0,0|1,0,1]=4 1834 B9R0.24 CCC(=O)NCC(=O)NC 527a_100102657272_100000194589 [0,2,0,0,0,0|1,0,1]=4 1835 B9R0.24 CCC(=O)NNC(=O)NC 273464a_100102657272_100000183195 [0,2,0,0,0,0|2,0,0]=4 1836 B9R0.24 CCC(=O)NNC(=O)NC 512a_106832991638_100000183195 [0,2,0,0,0,0|2,0,0]=4 1837 B9R0.24 CNC(=O)C=CC(=O)CF 1458a_100016259477_100015361967 [0,2,0,0,0,0|1,0,0]=3 1838 B9R0.24 CNC(=O)C=CC(=O)NC 1626a_100102657272_100016259477 [0,2,0,0,0,0|1,0,0]=3 1839 B9R0.24 CNC(=O)C=CC(=O)OC 1626a_100102657272_100016283253 [0,2,0,0,0,0|0,1,0]=3 1840 B9R0.24 CNC(=O)CCC(=O)NC 11a_106832991635_100011309844 [0,2,0,0,0,0|1,0,1]=4 1841 B9R0.24 CNC(=O)CCC(=O)NC 1626a_100102657272_100011309844 [0,2,0,0,0,0|1,0,1]=4 1842 B9R0.24 CNC(=O)CCC(=O)NC 240690a_100102657272_100011309844 [0,2,0,0,0,0|1,0,1]=4 1843 B9R0.24 CNC(=O)CCC(=O)NC 527a_100102657272_100011309844 [0,2,0,0,0,0|1,0,1]=4 1844 B9R0.24 CNC(=O)CCC(=O)OC 11a_106832991635_100000187943 [0,2,0,0,0,0|0,1,1]=4 1845 B9R0.24 CNC(=O)CCC(=O)OC 1626a_100102657272_100000187943 [0,2,0,0,0,0|0,1,1]=4 1846 B9R0.24 CNC(=O)CCC(=O)OC 240690a_100102657272_100000187943 [0,2,0,0,0,0|0,1,1]=4 1847 B9R0.24 CNC(=O)CCC(=O)OC 527a_100102657272_100000187943 [0,2,0,0,0,0|0,1,1]=4 1848 B9R0.24 CNC(=O)CNC(=O)NC 2708a_100102657272_100000693194 [0,2,0,0,0,0|1,0,1]=4 1849 B9R0.24 CNC(=O)CNC(=O)NC 273464a_100000693194_100102657272 [0,2,0,0,0,0|1,0,1]=4 1850 B9R0.24 CNC(=O)CNC(=O)NC 273464a_100102657272_100000693194 [0,2,0,0,0,0|1,0,1]=4 1851 B9R0.24 CNC(=O)CNC(=O)NC 512a_106832991638_100000693194 [0,2,0,0,0,0|1,0,1]=4 1852 B9R0.24 CNC(=O)CNC(=O)OC 11a_106832991635_100000215747 [0,2,0,0,0,0|0,1,1]=4 1853 B9R0.24 CNC(=O)CNC(=O)OC 1626a_100102657272_100000215747 [0,2,0,0,0,0|0,1,1]=4 1854 B9R0.24 CNC(=O)CNC(=O)OC 240690a_100102657272_100000215747 [0,2,0,0,0,0|0,1,1]=4 1855 B9R0.24 CNC(=O)CNC(=O)OC 527a_100102657272_100000215747 [0,2,0,0,0,0|0,1,1]=4 1856 B9R0.46 C#CCSCCC(=O)NC 62a_100000038162_100000737683 [0,2,0,0,0,0|0,0,2]=4 1857 B9R0.46 C/C=C/COCC(=O)NC 34a_100000750040_100102629194 [0,2,0,0,0,0|1,0,1]=4 1858 B9R0.46 C/C=C/COCC(=O)NC 34a_100016270725_100000183359 [0,2,0,0,0,0|1,0,1]=4 1859 B9R0.46 C/C=C/CSCC(=O)NC 62a_100000183359_100102629194 [0,2,0,0,0,0|1,0,1]=4 1860 B9R0.46 C/C=C/CSCC(=O)NC 62a_100102629194_100000183359 [0,2,0,0,0,0|1,0,1]=4 1861 B9R0.46 C=CCSCCC(=O)NC 62a_100000210623_100000737683 [0,2,0,0,0,0|0,0,2]=4 1862 B9R0.46 C=CCSCCC(=O)NC 62a_100000737683_100000210623 [0,2,0,0,0,0|0,0,2]=4 1863 B9R0.46 CC/C=C\CCC(=O)CC 1458a_100000210414_100015370543 [0,2,0,0,0,0|2,0,0]=4 1864 B9R0.46 CC=CCNCC(=O)NC 2230a_100000693194_100000070051 [0,2,0,0,0,0|1,0,1]=4 1865 B9R0.46 CC=CCOCC(=O)NC 34a_100000750040_100000070051 [0,2,0,0,0,0|1,0,1]=4 1866 B9R0.46 CC=CCSCC(=O)NC 62a_100000070051_100000183359 [0,2,0,0,0,0|1,0,1]=4 1867 B9R0.46 CC=CCSCC(=O)NC 62a_100000183359_100000070051 [0,2,0,0,0,0|1,0,1]=4 1868 B9R0.46 CCC/C=C/CC(=O)CC 1458a_200016266809_100000210202 [0,2,0,0,0,0|2,0,0]=4 1869 B9R0.46 CCC/C=C/CC(=O)NC 11a_106832991635_200016266809 [0,2,0,0,0,0|1,0,0]=3 1870 B9R0.46 CCC/C=C/CC(=O)NC 1626a_100102657272_200016266809 [0,2,0,0,0,0|1,0,0]=3 1871 B9R0.46 CCC/C=C/CC(=O)NC 240690a_100102657272_200016266809 [0,2,0,0,0,0|1,0,0]=3 1872 B9R0.46 CCC/C=C/CC(=O)NC 527a_100102657272_200016266809 [0,2,0,0,0,0|1,0,0]=3 1873 B9R0.46 CCCCC=CC(=O)CC 1458a_100016266645_100000210202 [0,2,0,0,0,0|2,0,0]=4 1874 B9R0.46 CCCCC=CC(=O)NC 11a_106832991635_100016266645 [0,2,0,0,0,0|1,0,0]=3 1875 B9R0.46 CCCCC=CC(=O)NC 1626a_100102657272_100016266645 [0,2,0,0,0,0|1,0,0]=3 1876 B9R0.46 CCCCC=CC(=O)NC 240690a_100102657272_100016266645 [0,2,0,0,0,0|1,0,0]=3 1877 B9R0.46 CCCSCCC(=O)NC 62a_100000210303_100000737683 [0,2,0,0,0,0|0,0,2]=4 1878 B9R0.46 CCCSCCC(=O)NC 62a_100000737683_100000210303 [0,2,0,0,0,0|0,0,2]=4 1879 B9R0.46 CCNC/C=C/C(=O)OC 2230a_100015525214_100000742655 [0,2,0,0,0,0|2,0,0]=4 1880 B9R0.46 CCOC/C=C/C(=O)OC 34a_100121572206_100000742655 [0,2,0,0,0,0|1,1,0]=4 1881 B9R0.46 CCSC/C=C/C(=O)OC 62a_100000210202_100000742655 [0,2,0,0,0,0|1,0,0]=3 1882 B9R0.46 CCSC/C=C/C(=O)OC 62a_100000742655_100000210202 [0,2,0,0,0,0|1,0,0]=3 1883 B9R0.46 CCSCCCC(=O)NC 62a_100000210202_100000741757 [0,2,0,0,0,0|0,0,2]=4 1884 B9R0.46 CCSCCCC(=O)NC 62a_100000741757_100000210202 [0,2,0,0,0,0|0,0,2]=4 1885 B9R0.46 CCSCCNC(=O)NC 2708a_100000106463_106832991635 [0,2,0,0,0,0|0,0,2]=4 1886 B9R0.46 CCSCCNC(=O)NC 2708a_100102657272_100000106463 [0,2,0,0,0,0|0,0,2]=4 1887 B9R0.46 CCSCCNC(=O)NC 273464a_100000106463_100102657272 [0,2,0,0,0,0|0,0,2]=4 1888 B9R0.46 CCSCCNC(=O)NC 273464a_100102657272_100000106463 [0,2,0,0,0,0|0,0,2]=4 1889 B9R0.46 CCSCCNC(=O)NC 512a_100000106463_100102657272 [0,2,0,0,0,0|0,0,2]=4 1890 B9R0.46 CCSCCNC(=O)NC 512a_106832991638_100000106463 [0,2,0,0,0,0|0,0,2]=4 1891 B9R0.46 CCSCCOC(=O)NC 62a_100000210202_200011997002 [0,2,0,0,0,0|0,0,2]=4 1892 B9R0.46 CCSCCOC(=O)NC 62a_200011997002_100000210202 [0,2,0,0,0,0|0,0,2]=4 1893 B9R0.46 CNC(=O)CCCSCF 62a_100000741757_100015361967 [0,2,0,0,0,0|0,0,2]=4 1894 B9R0.46 CNC(=O)CCCSCF 62a_100015361967_100000741757 [0,2,0,0,0,0|0,0,2]=4 1895 B9R0.46 CNC(=O)CCNCSC 2230a_100000738227_100011218213 [0,2,0,0,0,0|0,0,2]=4 1896 B9R0.46 CNC(=O)CCNCSC 34a_100000738227_100011218213 [0,2,0,0,0,0|0,0,2]=4 1897 B9R0.46 CNC(=O)CCOCSC 34a_100000754576_100011218213 [0,2,0,0,0,0|0,0,2]=4 1898 B9R0.46 CNC(=O)CCSCC#N 62a_100000737683_100011215382 [0,2,0,0,0,0|0,0,2]=4 1899 B9R0.46 CNC(=O)CCSCC#N 62a_100011215382_100000737683 [0,2,0,0,0,0|0,0,2]=4 1900 B9R0.46 CNC(=O)CCSCC=O 62a_100000737683_200015260668 [0,2,0,0,0,0|0,0,2]=4 1901 B9R0.46 CNC(=O)CCSCC=O 62a_200015260668_100000737683 [0,2,0,0,0,0|0,0,2]=4 1902 B9R0.46 CNC(=O)CCSCCF 62a_100000737683_100011217306 [0,2,0,0,0,0|0,0,2]=4 1903 B9R0.46 CNC(=O)CCSCCF 62a_100011217306_100000737683 [0,2,0,0,0,0|0,0,2]=4 1904 B9R0.46 CNC(=O)CCSCCO 62a_100000211926_100000737683 [0,2,0,0,0,0|0,0,2]=4 1905 B9R0.46 CNC(=O)CCSCCO 62a_100000737683_100000211926 [0,2,0,0,0,0|0,0,2]=4 1906 B9R0.46 CNC(=O)CCSCOC 62a_100000737683_100000766300 [0,2,0,0,0,0|0,0,2]=4 1907 B9R0.46 CNC(=O)CCSCOC 62a_100000766300_100000737683 [0,2,0,0,0,0|0,0,2]=4 1908 B9R0.46 CNC(=O)CCSCSC 62a_100000737683_100011218213 [0,2,0,0,0,0|0,0,2]=4 1909 B9R0.46 CNC(=O)CCSCSC 62a_100011218213_100000737683 [0,2,0,0,0,0|0,0,2]=4 1910 B9R0.46 CNC(=O)CNCCSC 2230a_100000693194_100000751147 [0,2,0,0,0,0|0,0,2]=4 1911 B9R0.46 CNC(=O)CNCCSC 2230a_100020590264_100000183359 [0,2,0,0,0,0|0,0,2]=4 1912 B9R0.46 CNC(=O)COCCSC 34a_100000230434_100000183359 [0,2,0,0,0,0|0,0,2]=4 1913 B9R0.46 CNC(=O)COCCSC 34a_100000750040_100000212216 [0,2,0,0,0,0|0,0,2]=4 1914 B9R0.46 CNC(=O)COCCSC 7a_100000230434_100000183359 [0,2,0,0,0,0|0,0,2]=4 1915 B9R0.46 CNC(=O)CSCCSC 62a_100000183359_100000751147 [0,2,0,0,0,0|0,0,2]=4 1916 B9R0.46 CNC(=O)CSCCSC 62a_100000212216_100000183359 [0,2,0,0,0,0|0,0,2]=4 1917 B9R0.46 CNC(=O)NCCCSC 2708a_100000749238_106832991635 [0,2,0,0,0,0|0,0,2]=4 1918 B9R0.46 CNC(=O)NCCCSC 2708a_100102657272_100000749238 [0,2,0,0,0,0|0,0,2]=4 1919 B9R0.46 CNC(=O)NCCCSC 273464a_100000749238_100102657272 [0,2,0,0,0,0|0,0,2]=4 1920 B9R0.46 CNC(=O)NCCCSC 273464a_100102657272_100000749238 [0,2,0,0,0,0|0,0,2]=4 1921 B9R0.46 CNC(=O)NCCCSC 512a_100000749238_100102657272 [0,2,0,0,0,0|0,0,2]=4 1922 B9R0.46 CNC(=O)NCCCSC 512a_106832991638_100000749238 [0,2,0,0,0,0|0,0,2]=4 1923 B9R0.46 CNC(=O)OCCSCF 62a_100015361967_200011997002 [0,2,0,0,0,0|0,0,2]=4 1924 B9R0.46 CNC(=O)OCCSCF 62a_200011997002_100015361967 [0,2,0,0,0,0|0,0,2]=4 1925 B9R0.46 COC(=O)/C=C/CSCF 62a_100000742655_100015361967 [0,2,0,0,0,0|1,0,0]=3 1926 B9R0.46 COC(=O)/C=C/CSCF 62a_100015361967_100000742655 [0,2,0,0,0,0|1,0,0]=3 1927 B9R0.47 C/C=C/C=CC(=O)C(C)C 1458a_100000185730_100000210206 [0,2,0,0,0,0|2,0,0]=4 1928 B9R0.47 C/C=C/C=CC(=O)N(C)C 11a_100102631434_100000185730 [0,2,0,0,0,0|1,0,0]=3 1929 B9R0.47 C/C=C/C=CC(=O)N(C)C 1626a_100102631434_100000185730 [0,2,0,0,0,0|1,0,0]=3 1930 B9R0.47 C/C=C/C=CC(=O)N(C)C 240690a_100102631434_100000185730 [0,2,0,0,0,0|1,0,0]=3 1931 B9R0.47 C=C(C)C(=O)C/C=C\CC 1458a_100000185857_100103147603 [0,2,0,0,0,0|2,0,0]=4 1932 B9R0.47 CC/C=C/CC(=O)C(C)C 1458a_100016274230_100000210206 [0,2,0,0,0,0|2,0,0]=4 1933 B9R0.47 CC/C=C/CC(=O)N(C)C 11a_100102631434_100016274230 [0,2,0,0,0,0|1,0,0]=3 1934 B9R0.47 CC/C=C/CC(=O)N(C)C 1626a_100102631434_100016274230 [0,2,0,0,0,0|1,0,0]=3 1935 B9R0.47 CC/C=C/CC(=O)N(C)C 240690a_100102631434_100016274230 [0,2,0,0,0,0|1,0,0]=3 1936 B9R0.47 CC/C=C/CC(=O)N(C)C 527a_100102631434_100016274230 [0,2,0,0,0,0|1,0,0]=3 1937 B9R0.47 CC/C=C\CC(=O)C(C)C 1458a_100000210198_100103147603 [0,2,0,0,0,0|2,0,0]=4 1938 B9R0.47 CC/C=C\CC(=O)C(C)F 1458a_100000062450_100103147603 [0,2,0,0,0,0|2,0,0]=4 1939 B9R0.47 CC/C=C\CC(=O)[C@@H](C)O 1458a_100000717761_100103147603 [0,2,0,0,0,0|2,0,0]=4 1940 B9R0.47 CC/C=C\CC(=O)[C@H](C)O 1458a_217856618621_100103147603 [0,2,0,0,0,0|2,0,0]=4 1941 B9R0.47 CCCC=CC(=O)C(C)C 1458a_100000212230_100000210206 [0,2,0,0,0,0|2,0,0]=4 1942 B9R0.47 CCCC=CC(=O)N(C)C 11a_100102631434_100000212230 [0,2,0,0,0,0|1,0,0]=3 1943 B9R0.47 CCCC=CC(=O)N(C)C 1626a_100102631434_100000212230 [0,2,0,0,0,0|1,0,0]=3 1944 B9R0.47 CCCC=CC(=O)N(C)C 240690a_100102631434_100000212230 [0,2,0,0,0,0|1,0,0]=3 1945 B9R0.47 CCOC=CC(=O)C(C)C 1458a_100016266692_100000210206 [0,2,0,0,0,0|1,1,0]=4 1946 B9R0.47 CCOC=CC(=O)N(C)C 11a_100102631434_100016266692 [0,2,0,0,0,0|0,1,0]=3 1947 B9R0.47 CCOC=CC(=O)N(C)C 1626a_100102631434_100016266692 [0,2,0,0,0,0|0,1,0]=3 1948 B9R0.47 CCOC=CC(=O)N(C)C 240690a_100102631434_100016266692 [0,2,0,0,0,0|0,1,0]=3 1949 B9R0.47 CCSCCC(=O)N(C)C 11a_100102631434_100000230768 [0,2,0,0,0,0|0,0,2]=4 1950 B9R0.47 CCSCCC(=O)N(C)C 1626a_100102631434_100000230768 [0,2,0,0,0,0|0,0,2]=4 1951 B9R0.47 CCSCCC(=O)N(C)C 240690a_100102631434_100000230768 [0,2,0,0,0,0|0,0,2]=4 1952 B9R0.47 CCSCCC(=O)N(C)C 527a_100102631434_100000230768 [0,2,0,0,0,0|0,0,2]=4 1953 B9R0.47 CCSCCC(=O)N(C)C 62a_100000210202_100000737620 [0,2,0,0,0,0|0,0,2]=4 1954 B9R0.47 CCSCCC(=O)N(C)C 62a_100000737620_100000210202 [0,2,0,0,0,0|0,0,2]=4 1955 B9R0.47 CN(C)C(=O)CCCS[13CH3] 62a_100000737642_200025704644 [0,2,0,0,0,0|0,0,2]=4 1956 B9R0.47 CN(C)C(=O)CCCS[13CH3] 62a_200025704644_100000737642 [0,2,0,0,0,0|0,0,2]=4 1957 B9R0.47 CN(C)C(=O)CCSCF 62a_100000737620_100015361967 [0,2,0,0,0,0|0,0,2]=4 1958 B9R0.47 CN(C)C(=O)CCSCF 62a_100015361967_100000737620 [0,2,0,0,0,0|0,0,2]=4 1959 B9R0.47 COCC=CC(=O)C(C)C 1458a_100016285016_100000210206 [0,2,0,0,0,0|1,1,0]=4 1960 B9R0.47 COCC=CC(=O)N(C)C 11a_100102631434_100016285016 [0,2,0,0,0,0|0,1,0]=3 1961 B9R0.47 COCC=CC(=O)N(C)C 1626a_100102631434_100016285016 [0,2,0,0,0,0|0,1,0]=3 1962 B9R0.47 COCC=CC(=O)N(C)C 240690a_100102631434_100016285016 [0,2,0,0,0,0|0,1,0]=3 1963 B9R0.47 CSCCCC(=O)N(C)C 11a_100102631434_100000173376 [0,2,0,0,0,0|0,0,2]=4 1964 B9R0.47 CSCCCC(=O)N(C)C 1626a_100102631434_100000173376 [0,2,0,0,0,0|0,0,2]=4 1965 B9R0.47 CSCCCC(=O)N(C)C 240690a_100102631434_100000173376 [0,2,0,0,0,0|0,0,2]=4 1966 B9R0.47 CSCCCC(=O)N(C)C 527a_100102631434_100000173376 [0,2,0,0,0,0|0,0,2]=4 1967 B9R0.47 CSCCCC(=O)N(C)C 62a_100000737642_200000210301 [0,2,0,0,0,0|0,0,2]=4 1968 B9R0.47 CSCCCC(=O)N(C)C 62a_200000210301_100000737642 [0,2,0,0,0,0|0,0,2]=4 1969 B9R0.47 CSCCNC(=O)N(C)C 2708a_100020590264_100102631434 [0,2,0,0,0,0|0,0,2]=4 1970 B9R0.47 CSCNCC(=O)N(C)C 2230a_100015183351_100011218213 [0,2,0,0,0,0|0,0,2]=4 1971 B9R0.47 CSCSCC(=O)N(C)C 62a_100000692301_100011218213 [0,2,0,0,0,0|0,0,2]=4 1972 B9R0.47 CSCSCC(=O)N(C)C 62a_100011218213_100000692301 [0,2,0,0,0,0|0,0,2]=4 1973 B9R0.7 CC(=CCC(=O)N(C)C)C 11a_100102631434_100011220947 [0,2,0,0,0,0|1,0,1]=4 1974 B9R0.7 CC(=CCC(=O)N(C)C)C 1626a_100102631434_100011220947 [0,2,0,0,0,0|1,0,1]=4 1975 B9R0.7 CC(=CCC(=O)N(C)C)C 240690a_100102631434_100011220947 [0,2,0,0,0,0|1,0,1]=4 1976 B9R0.7 CC(=CCC(=O)N(C)C)C 527a_100102631434_100011220947 [0,2,0,0,0,0|1,0,1]=4 1977 B9R0.7 CC(=O)C=CC(=O)N(C)C 1458a_100011200747_200000210301 [0,2,0,0,0,0|1,0,0]=3 1978 B9R0.7 CC(C)C=CC(=O)C(C)C 1458a_100016268746_100000210206 [0,2,0,0,0,0|2,0,0]=4 1979 B9R0.7 CC(C)C=CC(=O)N(C)C 11a_100102631434_100016268746 [0,2,0,0,0,0|1,0,0]=3 1980 B9R0.7 CC(C)C=CC(=O)N(C)C 1626a_100102631434_100016268746 [0,2,0,0,0,0|1,0,0]=3 1981 B9R0.7 CC(C)C=CC(=O)N(C)C 240690a_100102631434_100016268746 [0,2,0,0,0,0|1,0,0]=3 1982 B9R0.7 CN(C)C(=O)C=CC(=O)[13CH3] 1458a_100011200747_200025704644 [0,2,0,0,0,0|1,0,0]=3 1983 B9R0.42 C=C(C)C(=O)CC(=O)NC 1458a_100000185857_100000183359 [0,2,0,0,0,0|1,0,1]=4 1984 B9R0.42 CCC(=CC(=O)C(C)C)C 1458a_100020758463_100000210206 [0,2,0,0,0,0|2,0,0]=4 1985 B9R0.42 CCC(=CC(=O)N(C)C)C 11a_100102631434_100020758463 [0,2,0,0,0,0|1,0,0]=3 1986 B9R0.42 CCC(=CC(=O)N(C)C)C 1626a_100102631434_100020758463 [0,2,0,0,0,0|1,0,0]=3 1987 B9R0.42 CCC(=CC(=O)N(C)C)C 240690a_100102631434_100020758463 [0,2,0,0,0,0|1,0,0]=3 1988 B9R0.42 CCC(=O)CC(=O)N(C)C 1458a_100000210414_100000185267 [0,2,0,0,0,0|1,0,1]=4 1989 B9R0.42 CNC(=O)CC(=O)C(C)C 1458a_100000210198_100000183359 [0,2,0,0,0,0|1,0,1]=4 1990 B9R0.42 CNC(=O)CC(=O)C(C)F 1458a_100000062450_100000183359 [0,2,0,0,0,0|1,0,1]=4 1991 B9R0.42 CNC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000183359 [0,2,0,0,0,0|1,0,1]=4 1992 B9R0.42 CNC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000183359 [0,2,0,0,0,0|1,0,1]=4 1993 B9R0.42 COC(=O)CC(=O)N(C)C 240690a_100102631434_100000211351 [0,2,0,0,0,0|0,1,1]=4 1994 B9R0.21 CNC(=O)C=CC(F)(F)F 11a_106832991635_100016263435 [0,2,0,0,0,0|2,0,0]=4 1995 B9R0.21 CNC(=O)C=CC(F)(F)F 1626a_100102657272_100016263435 [0,2,0,0,0,0|2,0,0]=4 1996 B9R0.21 CNC(=O)C=CC(F)(F)F 240690a_100102657272_100016263435 [0,2,0,0,0,0|2,0,0]=4 1997 B7R1.1 COc1ccsc1 34a_100000106738_200000210301 [1,0,0,1,0,0|2,0,0]=4 1998 B7R1.1 COc1ccsc1 7a_100000106738_200000210301 [1,0,0,1,0,0|2,0,0]=4 1999 B7R1.1 CSc1ccsc1 62a_100000738268_200000210301 [1,0,0,1,0,0|2,0,0]=4 2000 B7R1.1 CSc1ccsc1 62a_200000210301_100000738268 [1,0,0,1,0,0|2,0,0]=4 2001 B7R1.1 CSc1ccsn1 62a_100009818082_200000210301 [1,0,0,1,0,0|2,0,0]=4 2002 B7R1.1 CSc1ccsn1 62a_200000210301_100009818082 [1,0,0,1,0,0|2,0,0]=4 2003 B7R1.1 [13CH3]Oc1ccsc1 34a_100000106738_200025704644 [1,0,0,1,0,0|2,0,0]=4 2004 B7R1.1 [13CH3]Oc1ccsc1 7a_100000106738_200025704644 [1,0,0,1,0,0|2,0,0]=4 2005 B7R1.1 [13CH3]Sc1ccsc1 62a_100000738268_200025704644 [1,0,0,1,0,0|2,0,0]=4 2006 B7R1.1 [13CH3]Sc1ccsc1 62a_200025704644_100000738268 [1,0,0,1,0,0|2,0,0]=4 2007 B7R1.1 [13CH3]Sc1ccsn1 62a_100009818082_200025704644 [1,0,0,1,0,0|2,0,0]=4 2008 B7R1.1 [13CH3]Sc1ccsn1 62a_200025704644_100009818082 [1,0,0,1,0,0|2,0,0]=4 2009 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [1,0,0,1,0,0|1,0,1]=4 2010 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [1,0,0,1,0,0|1,0,1]=4 2011 B7R1.4 Cc1sccc1O 271570a_203496583355_100000684487 [1,0,0,1,0,0|1,0,1]=4 2012 B7R1.4 Cn1nccc1O 271570a_203496583355_100000688441 [1,0,0,1,0,0|1,0,1]=4 2013 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [1,0,0,1,0,0|1,0,1]=4 2014 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [1,0,0,1,0,0|1,0,1]=4 2015 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [1,0,0,1,0,0|1,0,1]=4 2016 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [1,0,0,1,0,0|1,0,1]=4 2017 B7R1.22 CNC(=O)C1CC1 11a_106832991635_100000210395 [1,0,0,1,0,0|0,0,2]=4 2018 B7R1.22 CNC(=O)C1CC1 1626a_100102657272_100000210395 [1,0,0,1,0,0|0,0,2]=4 2019 B7R1.22 CNC(=O)C1CC1 240690a_100102657272_100000210395 [1,0,0,1,0,0|0,0,2]=4 2020 B7R1.22 CNC(=O)C1CC1 527a_100102657272_100000210395 [1,0,0,1,0,0|0,0,2]=4 2021 B7R1.22 CNC(=O)C1CO1 11a_106832991635_100000701028 [1,0,0,1,0,0|0,1,1]=4 2022 B7R1.22 CNC(=O)C1CO1 1626a_100102657272_100000701028 [1,0,0,1,0,0|0,1,1]=4 2023 B7R1.22 CNC(=O)C1CO1 240690a_100102657272_100000701028 [1,0,0,1,0,0|0,1,1]=4 2024 B7R1.22 CNC(=O)C1CO1 527a_100102657272_100000701028 [1,0,0,1,0,0|0,1,1]=4 2025 B7R1.20 CC(=O)CC1CS1 1458a_100000070787_100000031435 [1,0,0,1,0,0|0,0,2]=4 2026 B9R1.2 CNc1cc[nH]c(=O)c1 27a_100102657272_100000061649 [0,1,0,1,0,0|1,0,1]=4 2027 B9R1.2 CNc1cccc(c1)C 2230a_100000188690_200000210301 [0,1,0,1,0,0|2,0,0]=4 2028 B9R1.2 CNc1cccc(c1)C 34a_100000188690_200000210301 [0,1,0,1,0,0|2,0,0]=4 2029 B9R1.2 CNc1ccnc(c1)C 27a_100102657272_100000758586 [0,1,0,1,0,0|2,0,0]=4 2030 B9R1.2 CNc1ccnc(n1)C 27a_100102657272_100000749937 [0,1,0,1,0,0|2,0,0]=4 2031 B9R1.2 CNc1cncc(n1)C 27a_100102657272_100000754123 [0,1,0,1,0,0|2,0,0]=4 2032 B9R1.2 CNc1nccc(n1)C 27a_100102657272_100000750684 [0,1,0,1,0,0|2,0,0]=4 2033 B9R1.2 COc1cc[nH]c(=O)c1 34a_100000032262_200000210301 [0,1,0,1,0,0|0,1,1]=4 2034 B9R1.2 CSc1cc(=O)[nH]cn1 62a_100012002517_200000210301 [0,1,0,1,0,0|0,0,1]=3 2035 B9R1.2 CSc1cc(=O)cc[nH]1 62a_100009817434_200000210301 [0,1,0,1,0,0|1,0,1]=4 2036 B9R1.2 CSc1cc[nH]c(=O)c1 62a_100009816521_200000210301 [0,1,0,1,0,0|0,0,1]=3 2037 B9R1.2 CSc1cc[nH]c(=O)c1 62a_200000210301_100009816521 [0,1,0,1,0,0|0,0,1]=3 2038 B9R1.2 CSc1cc[nH]c(=O)n1 62a_200000210301_200000134032 [0,1,0,1,0,0|1,0,1]=4 2039 B9R1.2 CSc1cn[nH]c(=O)c1 62a_200000210301_100010197405 [0,1,0,1,0,0|0,0,1]=3 2040 B9R1.2 Cc1cccc(c1)N[13CH3] 2230a_100000188690_200025704644 [0,1,0,1,0,0|2,0,0]=4 2041 B9R1.2 Cc1cccc(c1)N[13CH3] 34a_100000188690_200025704644 [0,1,0,1,0,0|2,0,0]=4 2042 B9R1.2 [13CH3]Oc1cc[nH]c(=O)c1 34a_100000032262_200025704644 [0,1,0,1,0,0|0,1,1]=4 2043 B9R1.2 [13CH3]Sc1cc(=O)[nH]cn1 62a_100012002517_200025704644 [0,1,0,1,0,0|0,0,1]=3 2044 B9R1.2 [13CH3]Sc1cc(=O)cc[nH]1 62a_100009817434_200025704644 [0,1,0,1,0,0|1,0,1]=4 2045 B9R1.2 [13CH3]Sc1cc[nH]c(=O)c1 62a_100009816521_200025704644 [0,1,0,1,0,0|0,0,1]=3 2046 B9R1.2 [13CH3]Sc1cc[nH]c(=O)c1 62a_200025704644_100009816521 [0,1,0,1,0,0|0,0,1]=3 2047 B9R1.2 [13CH3]Sc1cc[nH]c(=O)n1 62a_200025704644_200000134032 [0,1,0,1,0,0|1,0,1]=4 2048 B9R1.2 [13CH3]Sc1cn[nH]c(=O)c1 62a_200025704644_100010197405 [0,1,0,1,0,0|0,0,1]=3 2049 B9R1.7 CCSc1cc([nH]n1)C 62a_100000210202_100009819999 [0,1,0,1,0,0|2,0,0]=4 2050 B9R1.7 CCSc1cc([nH]n1)C 62a_100009819999_100000210202 [0,1,0,1,0,0|2,0,0]=4 2051 B9R1.7 CCSc1cc([nH]n1)N 62a_100000210202_100009822546 [0,1,0,1,0,0|2,0,0]=4 2052 B9R1.7 CCSc1cc([nH]n1)N 62a_100009822546_100000210202 [0,1,0,1,0,0|2,0,0]=4 2053 B9R1.7 CNCC1=CC(=O)OC1 34a_100102657272_100000716558 [0,1,0,1,0,0|2,0,0]=4 2054 B9R1.7 CNCc1ccc(o1)C 207a_100102657272_100000183696 [0,1,0,1,0,0|1,0,1]=4 2055 B9R1.7 CNCc1ccc(o1)C 270004a_106832991635_100000183696 [0,1,0,1,0,0|1,0,1]=4 2056 B9R1.7 CNCc1ccc(o1)C 34a_100011194323_200000210301 [0,1,0,1,0,0|1,0,1]=4 2057 B9R1.7 CNCc1ccc(s1)C 207a_100102657272_100000211121 [0,1,0,1,0,0|1,1,0]=4 2058 B9R1.7 CNCc1ccc(s1)C 2230a_100000238518_200000210301 [0,1,0,1,0,0|1,1,0]=4 2059 B9R1.7 CNCc1ccc(s1)C 270004a_106832991635_100000211121 [0,1,0,1,0,0|1,1,0]=4 2060 B9R1.7 CNCc1ccn(n1)C 207a_100102657272_100000750880 [0,1,0,1,0,0|2,0,0]=4 2061 B9R1.7 CNCc1ccn(n1)C 2230a_100020636201_200000210301 [0,1,0,1,0,0|2,0,0]=4 2062 B9R1.7 CNCc1ccn(n1)C 2230a_106832991635_100000726502 [0,1,0,1,0,0|2,0,0]=4 2063 B9R1.7 CNCc1ccn(n1)C 270004a_106832991635_100000750880 [0,1,0,1,0,0|2,0,0]=4 2064 B9R1.7 CNCc1ccn(n1)C 34a_100020636201_200000210301 [0,1,0,1,0,0|2,0,0]=4 2065 B9R1.7 CNCc1ccn(n1)C 34a_100102657272_100000726502 [0,1,0,1,0,0|2,0,0]=4 2066 B9R1.7 CNCc1ccn(n1)C 7a_106832991635_100000726502 [0,1,0,1,0,0|2,0,0]=4 2067 B9R1.7 COCC1=CC(=O)OC1 34a_100138415774_100000716558 [0,1,0,1,0,0|1,1,0]=4 2068 B9R1.7 CSCC1=CC(=O)OC1 62a_100000716558_200000210301 [0,1,0,1,0,0|1,0,0]=3 2069 B9R1.7 CSCC1=CC(=O)OC1 62a_200000210301_100000716558 [0,1,0,1,0,0|1,0,0]=3 2070 B9R1.7 CSCC1CNC(=O)O1 62a_100000181169_200000210301 [0,1,0,1,0,0|0,0,2]=4 2071 B9R1.7 CSCC1CNC(=O)O1 62a_200000210301_100000181169 [0,1,0,1,0,0|0,0,2]=4 2072 B9R1.7 CSCN1CNC(=O)C1 2230a_200000708111_100011218213 [0,1,0,1,0,0|0,0,2]=4 2073 B9R1.7 CSCc1n[nH]c(=O)[nH]1 62a_200000210301_100000754189 [0,1,0,1,0,0|1,0,1]=4 2074 B9R1.7 Cc1cc(n[nH]1)SCF 62a_100009819999_100015361967 [0,1,0,1,0,0|2,0,0]=4 2075 B9R1.7 Cc1cc(n[nH]1)SCF 62a_100015361967_100009819999 [0,1,0,1,0,0|2,0,0]=4 2076 B9R1.7 Cc1ccc(o1)CN[13CH3] 34a_100011194323_200025704644 [0,1,0,1,0,0|1,0,1]=4 2077 B9R1.7 Cc1ccc(s1)CN[13CH3] 2230a_100000238518_200025704644 [0,1,0,1,0,0|1,1,0]=4 2078 B9R1.7 Cn1ccc(n1)CN[13CH3] 2230a_100020636201_200025704644 [0,1,0,1,0,0|2,0,0]=4 2079 B9R1.7 Cn1ccc(n1)CN[13CH3] 34a_100020636201_200025704644 [0,1,0,1,0,0|2,0,0]=4 2080 B9R1.7 Nc1cc(n[nH]1)SCF 62a_100009822546_100015361967 [0,1,0,1,0,0|2,0,0]=4 2081 B9R1.7 Nc1cc(n[nH]1)SCF 62a_100015361967_100009822546 [0,1,0,1,0,0|2,0,0]=4 2082 B9R1.7 [13CH3]SCC1=CC(=O)OC1 62a_100000716558_200025704644 [0,1,0,1,0,0|1,0,0]=3 2083 B9R1.7 [13CH3]SCC1=CC(=O)OC1 62a_200025704644_100000716558 [0,1,0,1,0,0|1,0,0]=3 2084 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_100000181169_200025704644 [0,1,0,1,0,0|0,0,2]=4 2085 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_200025704644_100000181169 [0,1,0,1,0,0|0,0,2]=4 2086 B9R1.7 [13CH3]SCc1n[nH]c(=O)[nH]1 62a_200025704644_100000754189 [0,1,0,1,0,0|1,0,1]=4 2087 B9R1.15 CNc1ccn[nH]c1=O 27a_100102657272_100000087129 [0,1,0,1,0,0|2,0,0]=4 2088 B9R1.22 COc1cc(nn1C)C 34a_100000738638_200000210301 [0,1,0,1,0,0|1,1,0]=4 2089 B9R1.22 CSc1cc(nn1C)C 62a_100009818511_200000210301 [0,1,0,1,0,0|1,0,0]=3 2090 B9R1.22 CSc1cc(nn1C)C 62a_200000210301_100009818511 [0,1,0,1,0,0|1,0,0]=3 2091 B9R1.22 CSc1cc(nn1C)N 62a_100116209741_200000210301 [0,1,0,1,0,0|1,0,0]=3 2092 B9R1.22 CSc1cc(nn1C)N 62a_200000210301_100116209741 [0,1,0,1,0,0|1,0,0]=3 2093 B9R1.22 CSc1cc(sc1C)C 62a_100000688054_200000210301 [0,1,0,1,0,0|2,0,0]=4 2094 B9R1.22 CSc1cc(sc1C)C 62a_200000210301_100000688054 [0,1,0,1,0,0|2,0,0]=4 2095 B9R1.22 CSc1nc([nH]c1C)C 62a_200000210301_200009820778 [0,1,0,1,0,0|2,0,0]=4 2096 B9R1.22 CSc1nc([nH]c1C)C 62a_200009820778_200000210301 [0,1,0,1,0,0|2,0,0]=4 2097 B9R1.22 CSc1nc(cn1C)C 62a_100009816808_200000210301 [0,1,0,1,0,0|2,0,0]=4 2098 B9R1.22 CSc1nc(cn1C)C 62a_200000210301_100009816808 [0,1,0,1,0,0|2,0,0]=4 2099 B9R1.22 Cc1cc(c(s1)C)S[13CH3] 62a_100000688054_200025704644 [0,1,0,1,0,0|2,0,0]=4 2100 B9R1.22 Cc1cc(c(s1)C)S[13CH3] 62a_200025704644_100000688054 [0,1,0,1,0,0|2,0,0]=4 2101 B9R1.22 Cc1cc(n(n1)C)O[13CH3] 34a_100000738638_200025704644 [0,1,0,1,0,0|1,1,0]=4 2102 B9R1.22 Cc1cc(n(n1)C)S[13CH3] 62a_100009818511_200025704644 [0,1,0,1,0,0|1,0,0]=3 2103 B9R1.22 Cc1cc(n(n1)C)S[13CH3] 62a_200025704644_100009818511 [0,1,0,1,0,0|1,0,0]=3 2104 B9R1.22 Cc1cn(c(n1)S[13CH3])C 62a_100009816808_200025704644 [0,1,0,1,0,0|2,0,0]=4 2105 B9R1.22 Cc1cn(c(n1)S[13CH3])C 62a_200025704644_100009816808 [0,1,0,1,0,0|2,0,0]=4 2106 B9R1.22 Cc1nc(c([nH]1)C)S[13CH3] 62a_200009820778_200025704644 [0,1,0,1,0,0|2,0,0]=4 2107 B9R1.22 Cc1nc(c([nH]1)C)S[13CH3] 62a_200025704644_200009820778 [0,1,0,1,0,0|2,0,0]=4 2108 B9R1.22 Cn1nc(cc1S[13CH3])N 62a_100116209741_200025704644 [0,1,0,1,0,0|1,0,0]=3 2109 B9R1.22 Cn1nc(cc1S[13CH3])N 62a_200025704644_100116209741 [0,1,0,1,0,0|1,0,0]=3 2110 B9R1.69 Cc1cc(c(=O)[nH]n1)O 271570a_203496583355_100009819039 [0,1,0,1,0,0|2,0,0]=4 2111 B9R1.69 Cn1cc(ccc1=O)O 271570a_203496583355_100011245003 [0,1,0,1,0,0|1,0,1]=4 2112 B9R1.69 Cn1ccc(cc1=O)O 271570a_203496583355_100009820031 [0,1,0,1,0,0|1,0,1]=4 2113 B9R1.69 Cn1cnc(cc1=O)O 271570a_203496583355_100012179353 [0,1,0,1,0,0|1,0,1]=4 2114 B9R1.69 Cn1nc(ccc1=O)O 271570a_203496583355_100009820752 [0,1,0,1,0,0|2,0,0]=4 2115 B9R1.69 Cn1ncc(cc1=O)O 271570a_203496583355_200010986246 [0,1,0,1,0,0|2,0,0]=4 2116 B9R1.3 Cn1c(cccc1=O)O 271570a_203496583355_100000726605 [0,1,0,1,0,0|1,0,1]=4 2117 B9R1.3 Cn1cccc(c1=O)O 271570a_203496583355_100000687173 [0,1,0,1,0,0|1,0,1]=4 2118 B9R1.11 CCC(=O)C1=CCCC1 1458a_100000038896_100000210202 [0,1,0,1,0,0|2,0,0]=4 2119 B9R1.11 CCC(=O)C1=CCOC1 1458a_100000139269_100000210202 [0,1,0,1,0,0|1,1,0]=4 2120 B9R1.11 CCC(=O)C1=COCC1 1458a_100000750620_100000210202 [0,1,0,1,0,0|1,1,0]=4 2121 B9R1.11 CNC(=O)C1=CCCC1 11a_106832991635_100000038896 [0,1,0,1,0,0|1,0,0]=3 2122 B9R1.11 CNC(=O)C1=CCCC1 1626a_100102657272_100000038896 [0,1,0,1,0,0|1,0,0]=3 2123 B9R1.11 CNC(=O)C1=CCCC1 240690a_100102657272_100000038896 [0,1,0,1,0,0|1,0,0]=3 2124 B9R1.11 CNC(=O)C1=CCOC1 11a_106832991635_100000139269 [0,1,0,1,0,0|0,1,0]=3 2125 B9R1.11 CNC(=O)C1=CCOC1 1626a_100102657272_100000139269 [0,1,0,1,0,0|0,1,0]=3 2126 B9R1.11 CNC(=O)C1=CCOC1 240690a_100102657272_100000139269 [0,1,0,1,0,0|0,1,0]=3 2127 B9R1.11 CNC(=O)C1=COCC1 1626a_100102657272_100000750620 [0,1,0,1,0,0|0,1,0]=3 2128 B9R1.11 CNC(=O)C1=COCC1 240690a_100102657272_100000750620 [0,1,0,1,0,0|0,1,0]=3 2129 B9R1.11 CNC(=O)C1CC=CC1 11a_106832991635_100000759439 [0,1,0,1,0,0|1,0,1]=4 2130 B9R1.11 CNC(=O)C1CC=CC1 1626a_100102657272_100000759439 [0,1,0,1,0,0|1,0,1]=4 2131 B9R1.11 CNC(=O)C1CC=CC1 240690a_100102657272_100000759439 [0,1,0,1,0,0|1,0,1]=4 2132 B9R1.11 CNC(=O)C1CC=CC1 527a_100102657272_100000759439 [0,1,0,1,0,0|1,0,1]=4 2133 B9R1.11 CNC(=O)N1CC=CC1 2708a_100102657272_100015195280 [0,1,0,1,0,0|1,0,1]=4 2134 B9R1.11 CNC(=O)N1CC=CC1 273464a_100102657272_100015195280 [0,1,0,1,0,0|1,0,1]=4 2135 B9R1.11 CNC(=O)N1CCSC1 2708a_100102657272_100011215254 [0,1,0,1,0,0|0,0,2]=4 2136 B9R1.11 CNC(=O)N1CCSC1 273464a_100102657272_100011215254 [0,1,0,1,0,0|0,0,2]=4 2137 B9R1.132 CSc1cnc(n1C)C 62a_100000762843_200000210301 [0,1,0,1,0,0|1,0,0]=3 2138 B9R1.132 CSc1cnc(n1C)C 62a_200000210301_100000762843 [0,1,0,1,0,0|1,0,0]=3 2139 B9R1.132 CSc1csc(c1C)C 62a_100009820295_200000210301 [0,1,0,1,0,0|2,0,0]=4 2140 B9R1.132 CSc1csc(c1C)C 62a_200000210301_100009820295 [0,1,0,1,0,0|2,0,0]=4 2141 B9R1.132 CSc1n[nH]c(c1C)C 62a_100015309786_200000210301 [0,1,0,1,0,0|2,0,0]=4 2142 B9R1.132 CSc1n[nH]c(c1C)C 62a_200000210301_100015309786 [0,1,0,1,0,0|2,0,0]=4 2143 B9R1.132 CSc1ncc(n1C)C 62a_100009816807_200000210301 [0,1,0,1,0,0|1,0,0]=3 2144 B9R1.132 CSc1ncc(n1C)C 62a_200000210301_100009816807 [0,1,0,1,0,0|1,0,0]=3 2145 B9R1.132 Cc1[nH]nc(c1C)S[13CH3] 62a_100015309786_200025704644 [0,1,0,1,0,0|2,0,0]=4 2146 B9R1.132 Cc1[nH]nc(c1C)S[13CH3] 62a_200025704644_100015309786 [0,1,0,1,0,0|2,0,0]=4 2147 B9R1.132 Cc1cnc(n1C)S[13CH3] 62a_100009816807_200025704644 [0,1,0,1,0,0|1,0,0]=3 2148 B9R1.132 Cc1cnc(n1C)S[13CH3] 62a_200025704644_100009816807 [0,1,0,1,0,0|1,0,0]=3 2149 B9R1.132 Cc1ncc(n1C)S[13CH3] 62a_100000762843_200025704644 [0,1,0,1,0,0|1,0,0]=3 2150 B9R1.132 Cc1ncc(n1C)S[13CH3] 62a_200025704644_100000762843 [0,1,0,1,0,0|1,0,0]=3 2151 B9R1.132 Cc1scc(c1C)S[13CH3] 62a_100009820295_200025704644 [0,1,0,1,0,0|2,0,0]=4 2152 B9R1.132 Cc1scc(c1C)S[13CH3] 62a_200025704644_100009820295 [0,1,0,1,0,0|2,0,0]=4 2153 B9R1.1 CNc1ccc(cc1)C 34a_100000124888_200000210301 [0,1,0,1,0,0|2,0,0]=4 2154 B9R1.1 CNc1ccc(nn1)C 27a_100102657272_100000744512 [0,1,0,1,0,0|2,0,0]=4 2155 B9R1.1 COc1ccc(=O)[nH]c1 34a_100000075641_200000210301 [0,1,0,1,0,0|0,1,1]=4 2156 B9R1.1 CSc1ccc(=O)[nH]c1 62a_100000212171_200000210301 [0,1,0,1,0,0|0,0,1]=3 2157 B9R1.1 CSc1ccc(=O)[nH]c1 62a_200000210301_100000212171 [0,1,0,1,0,0|0,0,1]=3 2158 B9R1.1 CSc1ccc(=O)[nH]n1 62a_100009820020_200000210301 [0,1,0,1,0,0|1,0,0]=3 2159 B9R1.1 CSc1ccc(=O)[nH]n1 62a_200000210301_100009820020 [0,1,0,1,0,0|1,0,0]=3 2160 B9R1.1 CSc1cnc(=O)[nH]c1 62a_102495366499_200000210301 [0,1,0,1,0,0|0,0,1]=3 2161 B9R1.1 CSc1cnc(=O)[nH]c1 62a_200000210301_102495366499 [0,1,0,1,0,0|0,0,1]=3 2162 B9R1.1 Cc1ccc(cc1)N[13CH3] 34a_100000124888_200025704644 [0,1,0,1,0,0|2,0,0]=4 2163 B9R1.1 [13CH3]Oc1ccc(=O)[nH]c1 34a_100000075641_200025704644 [0,1,0,1,0,0|0,1,1]=4 2164 B9R1.1 [13CH3]Sc1ccc(=O)[nH]c1 62a_100000212171_200025704644 [0,1,0,1,0,0|0,0,1]=3 2165 B9R1.1 [13CH3]Sc1ccc(=O)[nH]c1 62a_200025704644_100000212171 [0,1,0,1,0,0|0,0,1]=3 2166 B9R1.1 [13CH3]Sc1ccc(=O)[nH]n1 62a_100009820020_200025704644 [0,1,0,1,0,0|1,0,0]=3 2167 B9R1.1 [13CH3]Sc1ccc(=O)[nH]n1 62a_200025704644_100009820020 [0,1,0,1,0,0|1,0,0]=3 2168 B9R1.1 [13CH3]Sc1cnc(=O)[nH]c1 62a_102495366499_200025704644 [0,1,0,1,0,0|0,0,1]=3 2169 B9R1.1 [13CH3]Sc1cnc(=O)[nH]c1 62a_200025704644_102495366499 [0,1,0,1,0,0|0,0,1]=3 2170 B9R1.21 CCc1cc(cs1)SC 62a_100009846239_200000210301 [0,1,0,1,0,0|1,1,0]=4 2171 B9R1.21 CCc1cc(cs1)SC 62a_200000210301_100009846239 [0,1,0,1,0,0|1,1,0]=4 2172 B9R1.21 CCc1cc(cs1)S[13CH3] 62a_100009846239_200025704644 [0,1,0,1,0,0|1,1,0]=4 2173 B9R1.21 CCc1cc(cs1)S[13CH3] 62a_200025704644_100009846239 [0,1,0,1,0,0|1,1,0]=4 2174 B9R1.21 CCc1ccc(s1)SC 62a_100009844052_200000210301 [0,1,0,1,0,0|1,1,0]=4 2175 B9R1.21 CCc1ccc(s1)SC 62a_200000210301_100009844052 [0,1,0,1,0,0|1,1,0]=4 2176 B9R1.21 CCc1ccc(s1)S[13CH3] 62a_100009844052_200025704644 [0,1,0,1,0,0|1,1,0]=4 2177 B9R1.21 CCc1ccc(s1)S[13CH3] 62a_200025704644_100009844052 [0,1,0,1,0,0|1,1,0]=4 2178 B9R1.21 CNc1nnc(s1)SC 62a_200000210301_200012111945 [0,1,0,1,0,0|1,1,0]=4 2179 B9R1.21 CNc1nnc(s1)SC 62a_200012111945_200000210301 [0,1,0,1,0,0|1,1,0]=4 2180 B9R1.21 CNc1nnc(s1)S[13CH3] 62a_200012111945_200025704644 [0,1,0,1,0,0|1,1,0]=4 2181 B9R1.21 CNc1nnc(s1)S[13CH3] 62a_200025704644_200012111945 [0,1,0,1,0,0|1,1,0]=4 2182 B9R1.21 CNc1nsc(n1)SC 27a_100102657272_200010005773 [0,1,0,1,0,0|1,1,0]=4 2183 B9R1.21 COc1nc(cs1)SC 62a_100000727839_200000210301 [0,1,0,1,0,0|2,0,0]=4 2184 B9R1.21 COc1nc(cs1)SC 62a_200000210301_100000727839 [0,1,0,1,0,0|2,0,0]=4 2185 B9R1.21 COc1nc(cs1)S[13CH3] 62a_100000727839_200025704644 [0,1,0,1,0,0|2,0,0]=4 2186 B9R1.21 COc1nc(cs1)S[13CH3] 62a_200025704644_100000727839 [0,1,0,1,0,0|2,0,0]=4 2187 B9R1.21 COc1ncc(s1)SC 62a_100000729428_200000210301 [0,1,0,1,0,0|1,1,0]=4 2188 B9R1.21 COc1ncc(s1)SC 62a_200000210301_100000729428 [0,1,0,1,0,0|1,1,0]=4 2189 B9R1.21 COc1ncc(s1)S[13CH3] 62a_100000729428_200025704644 [0,1,0,1,0,0|1,1,0]=4 2190 B9R1.21 COc1ncc(s1)S[13CH3] 62a_200025704644_100000729428 [0,1,0,1,0,0|1,1,0]=4 2191 B9R1.21 CSc1c[nH]c(c1)C#N 62a_200000210301_100009952751 [0,1,0,1,0,0|1,0,1]=4 2192 B9R1.21 CSc1c[nH]c(c1)C=O 62a_100000720742_200000210301 [0,1,0,1,0,0|0,0,1]=3 2193 B9R1.21 CSc1c[nH]c(c1)C=O 62a_200000210301_100000720742 [0,1,0,1,0,0|0,0,1]=3 2194 B9R1.21 CSc1cc(c[nH]1)C=O 62a_100009882863_200000210301 [0,1,0,1,0,0|2,0,0]=4 2195 B9R1.21 CSc1cc(c[nH]1)C=O 62a_200000210301_100009882863 [0,1,0,1,0,0|2,0,0]=4 2196 B9R1.21 CSc1cc(cs1)C=O 62a_100000737087_200000210301 [0,1,0,1,0,0|2,0,0]=4 2197 B9R1.21 CSc1cc(cs1)C=O 62a_200000210301_100000737087 [0,1,0,1,0,0|2,0,0]=4 2198 B9R1.21 CSc1cc(cs1)S[13CH3] 62a_200010256830_200025704644 [0,1,0,1,0,0|1,1,0]=4 2199 B9R1.21 CSc1cc(cs1)S[13CH3] 62a_200025704644_200010256830 [0,1,0,1,0,0|1,1,0]=4 2200 B9R1.21 CSc1cc(on1)C=O 62a_100009819588_200000210301 [0,1,0,1,0,0|2,0,0]=4 2201 B9R1.21 CSc1cc(on1)C=O 62a_200000210301_100009819588 [0,1,0,1,0,0|2,0,0]=4 2202 B9R1.21 CSc1coc(c1)C=O 62a_100000747035_200000210301 [0,1,0,1,0,0|1,0,1]=4 2203 B9R1.21 CSc1coc(c1)C=O 62a_200000210301_100000747035 [0,1,0,1,0,0|1,0,1]=4 2204 B9R1.21 CSc1csc(c1)C=O 62a_100000211722_200000210301 [0,1,0,1,0,0|1,0,1]=4 2205 B9R1.21 CSc1csc(c1)C=O 62a_200000210301_100000211722 [0,1,0,1,0,0|1,0,1]=4 2206 B9R1.21 CSc1csc(c1)SC 62a_200000210301_200010256830 [0,1,0,1,0,0|1,1,0]=4 2207 B9R1.21 CSc1csc(c1)SC 62a_200010256830_200000210301 [0,1,0,1,0,0|1,1,0]=4 2208 B9R1.21 CSc1csc(n1)SC 62a_100000732701_200000210301 [0,1,0,1,0,0|2,0,0]=4 2209 B9R1.21 CSc1csc(n1)SC 62a_200000210301_100000732701 [0,1,0,1,0,0|2,0,0]=4 2210 B9R1.21 CSc1nc(cs1)S[13CH3] 62a_100000732701_200025704644 [0,1,0,1,0,0|2,0,0]=4 2211 B9R1.21 CSc1nc(cs1)S[13CH3] 62a_200025704644_100000732701 [0,1,0,1,0,0|2,0,0]=4 2212 B9R1.21 [13CH3]Sc1c[nH]c(c1)C#N 62a_200025704644_100009952751 [0,1,0,1,0,0|1,0,1]=4 2213 B9R1.21 [13CH3]Sc1c[nH]c(c1)C=O 62a_100000720742_200025704644 [0,1,0,1,0,0|0,0,1]=3 2214 B9R1.21 [13CH3]Sc1c[nH]c(c1)C=O 62a_200025704644_100000720742 [0,1,0,1,0,0|0,0,1]=3 2215 B9R1.21 [13CH3]Sc1cc(c[nH]1)C=O 62a_100009882863_200025704644 [0,1,0,1,0,0|2,0,0]=4 2216 B9R1.21 [13CH3]Sc1cc(c[nH]1)C=O 62a_200025704644_100009882863 [0,1,0,1,0,0|2,0,0]=4 2217 B9R1.21 [13CH3]Sc1cc(cs1)C=O 62a_100000737087_200025704644 [0,1,0,1,0,0|2,0,0]=4 2218 B9R1.21 [13CH3]Sc1cc(cs1)C=O 62a_200025704644_100000737087 [0,1,0,1,0,0|2,0,0]=4 2219 B9R1.21 [13CH3]Sc1cc(on1)C=O 62a_100009819588_200025704644 [0,1,0,1,0,0|2,0,0]=4 2220 B9R1.21 [13CH3]Sc1cc(on1)C=O 62a_200025704644_100009819588 [0,1,0,1,0,0|2,0,0]=4 2221 B9R1.21 [13CH3]Sc1coc(c1)C=O 62a_100000747035_200025704644 [0,1,0,1,0,0|1,0,1]=4 2222 B9R1.21 [13CH3]Sc1coc(c1)C=O 62a_200025704644_100000747035 [0,1,0,1,0,0|1,0,1]=4 2223 B9R1.21 [13CH3]Sc1csc(c1)C=O 62a_100000211722_200025704644 [0,1,0,1,0,0|1,0,1]=4 2224 B9R1.21 [13CH3]Sc1csc(c1)C=O 62a_200025704644_100000211722 [0,1,0,1,0,0|1,0,1]=4 2225 B9R1.79 CCC(=O)C=C1CCC1 1458a_100000686340_100000210202 [0,1,0,1,0,0|2,0,0]=4 2226 B9R1.79 CNC(=O)C=C1CCC1 11a_106832991635_100000686340 [0,1,0,1,0,0|1,0,0]=3 2227 B9R1.79 CNC(=O)C=C1CCC1 240690a_100102657272_100000686340 [0,1,0,1,0,0|1,0,0]=3 2228 B9R1.79 CNC(=O)NC1CSC1 2708a_100016994217_106832991635 [0,1,0,1,0,0|0,0,2]=4 2229 B9R1.79 CNC(=O)NC1CSC1 2708a_100102657272_100016994217 [0,1,0,1,0,0|0,0,2]=4 2230 B9R1.79 CNC(=O)NC1CSC1 273464a_100016994217_100102657272 [0,1,0,1,0,0|0,0,2]=4 2231 B9R1.79 CNC(=O)NC1CSC1 273464a_100102657272_100016994217 [0,1,0,1,0,0|0,0,2]=4 2232 B9R1.79 CNC(=O)NC1CSC1 512a_100016994217_100102657272 [0,1,0,1,0,0|0,0,2]=4 2233 B9R1.79 CNC(=O)NC1CSC1 512a_106832991638_100016994217 [0,1,0,1,0,0|0,0,2]=4 2234 B9R1.80 CCC(=O)C=CC1CC1 1458a_100102529529_100000210202 [0,1,0,1,0,0|2,0,0]=4 2235 B9R1.80 CNC(=O)C=CC1CC1 11a_106832991635_100102529529 [0,1,0,1,0,0|1,0,0]=3 2236 B9R1.80 CNC(=O)C=CC1CC1 1626a_100102657272_100102529529 [0,1,0,1,0,0|1,0,0]=3 2237 B9R1.80 CNC(=O)C=CC1CC1 240690a_100102657272_100102529529 [0,1,0,1,0,0|1,0,0]=3 2238 B9R1.23 CSc1cc(c(s1)C)C 62a_100009850898_200000210301 [0,1,0,1,0,0|2,0,0]=4 2239 B9R1.23 CSc1cc(c(s1)C)C 62a_200000210301_100009850898 [0,1,0,1,0,0|2,0,0]=4 2240 B9R1.23 CSc1cc(n(n1)C)C 62a_100012001299_200000210301 [0,1,0,1,0,0|1,0,0]=3 2241 B9R1.23 CSc1cc(n(n1)C)C 62a_200000210301_100012001299 [0,1,0,1,0,0|1,0,0]=3 2242 B9R1.23 CSc1cc(n(n1)C)N 62a_100000734454_200000210301 [0,1,0,1,0,0|1,0,0]=3 2243 B9R1.23 CSc1cc(n(n1)C)N 62a_200000210301_100000734454 [0,1,0,1,0,0|1,0,0]=3 2244 B9R1.23 CSc1cn(c(n1)C)C 62a_100000684932_200000210301 [0,1,0,1,0,0|2,0,0]=4 2245 B9R1.23 CSc1cn(c(n1)C)C 62a_200000210301_100000684932 [0,1,0,1,0,0|2,0,0]=4 2246 B9R1.23 CSc1cn(c(n1)N)C 62a_100025756272_200000210301 [0,1,0,1,0,0|2,0,0]=4 2247 B9R1.23 CSc1cn(c(n1)N)C 62a_200000210301_100025756272 [0,1,0,1,0,0|2,0,0]=4 2248 B9R1.23 CSc1nc(n(n1)C)N 62a_200000210301_200010296169 [0,1,0,1,0,0|2,0,0]=4 2249 B9R1.23 CSc1nc(n(n1)C)N 62a_200010296169_200000210301 [0,1,0,1,0,0|2,0,0]=4 2250 B9R1.23 Cc1cc(nn1C)S[13CH3] 62a_100012001299_200025704644 [0,1,0,1,0,0|1,0,0]=3 2251 B9R1.23 Cc1cc(nn1C)S[13CH3] 62a_200025704644_100012001299 [0,1,0,1,0,0|1,0,0]=3 2252 B9R1.23 Cc1cc(sc1C)S[13CH3] 62a_100009850898_200025704644 [0,1,0,1,0,0|2,0,0]=4 2253 B9R1.23 Cc1cc(sc1C)S[13CH3] 62a_200025704644_100009850898 [0,1,0,1,0,0|2,0,0]=4 2254 B9R1.23 Cc1nc(cn1C)S[13CH3] 62a_100000684932_200025704644 [0,1,0,1,0,0|2,0,0]=4 2255 B9R1.23 Cc1nc(cn1C)S[13CH3] 62a_200025704644_100000684932 [0,1,0,1,0,0|2,0,0]=4 2256 B9R1.23 Cn1cc(nc1N)S[13CH3] 62a_100025756272_200025704644 [0,1,0,1,0,0|2,0,0]=4 2257 B9R1.23 Cn1cc(nc1N)S[13CH3] 62a_200025704644_100025756272 [0,1,0,1,0,0|2,0,0]=4 2258 B9R1.23 Cn1nc(cc1N)S[13CH3] 62a_100000734454_200025704644 [0,1,0,1,0,0|1,0,0]=3 2259 B9R1.23 Cn1nc(cc1N)S[13CH3] 62a_200025704644_100000734454 [0,1,0,1,0,0|1,0,0]=3 2260 B9R1.23 Cn1nc(nc1N)S[13CH3] 62a_200010296169_200025704644 [0,1,0,1,0,0|2,0,0]=4 2261 B9R1.23 Cn1nc(nc1N)S[13CH3] 62a_200025704644_200010296169 [0,1,0,1,0,0|2,0,0]=4