0 B7R1.3 CN1CC=CCC1 2230a_100000698166_200000210301 [0,1,0,0,0,0|1,0,2]=4 1 B7R1.3 CN1CC=CCC1 269982a_100000698166_200000210301 [0,1,0,0,0,0|1,0,2]=4 2 B7R1.3 CN1CC=CCC1 34a_100000698166_200000210301 [0,1,0,0,0,0|1,0,2]=4 3 B7R1.3 CN1CCCOC1 2230a_100000131196_200000210301 [0,1,0,0,0,0|2,0,0]=3 4 B7R1.3 CN1CCCOC1 269982a_100000131196_200000210301 [0,1,0,0,0,0|2,0,0]=3 5 B7R1.3 CN1CCCOC1 34a_100000131196_200000210301 [0,1,0,0,0,0|2,0,0]=3 6 B7R1.3 CN1CCOCC1 2230a_100015191051_200000210301 [0,1,0,0,0,0|2,0,0]=3 7 B7R1.3 CN1CCOCC1 269982a_100015191051_200000210301 [0,1,0,0,0,0|2,0,0]=3 8 B7R1.3 CN1CCOCC1 34a_100015191051_200000210301 [0,1,0,0,0,0|2,0,0]=3 9 B7R1.3 CN1CCSCC1 2230a_100000737611_200000210301 [0,1,0,0,0,0|2,0,0]=3 10 B7R1.3 CN1CCSCC1 269982a_100000737611_200000210301 [0,1,0,0,0,0|2,0,0]=3 11 B7R1.3 [13CH3]N1CC=CCC1 2230a_100000698166_200025704644 [0,1,0,0,0,0|1,0,2]=4 12 B7R1.3 [13CH3]N1CC=CCC1 269982a_100000698166_200025704644 [0,1,0,0,0,0|1,0,2]=4 13 B7R1.3 [13CH3]N1CC=CCC1 34a_100000698166_200025704644 [0,1,0,0,0,0|1,0,2]=4 14 B7R1.3 [13CH3]N1CCCOC1 2230a_100000131196_200025704644 [0,1,0,0,0,0|2,0,0]=3 15 B7R1.3 [13CH3]N1CCCOC1 269982a_100000131196_200025704644 [0,1,0,0,0,0|2,0,0]=3 16 B7R1.3 [13CH3]N1CCCOC1 34a_100000131196_200025704644 [0,1,0,0,0,0|2,0,0]=3 17 B7R1.3 [13CH3]N1CCOCC1 2230a_100015191051_200025704644 [0,1,0,0,0,0|2,0,0]=3 18 B7R1.3 [13CH3]N1CCOCC1 269982a_100015191051_200025704644 [0,1,0,0,0,0|2,0,0]=3 19 B7R1.3 [13CH3]N1CCOCC1 34a_100015191051_200025704644 [0,1,0,0,0,0|2,0,0]=3 20 B7R1.3 [13CH3]N1CCSCC1 2230a_100000737611_200025704644 [0,1,0,0,0,0|2,0,0]=3 21 B7R1.3 [13CH3]N1CCSCC1 269982a_100000737611_200025704644 [0,1,0,0,0,0|2,0,0]=3 22 B5R0.2 C#CCCNC 2230a_106832991635_100000688953 [0,0,1,0,0,0|1,0,2]=4 23 B5R0.2 C#CCCNC 34a_100000755551_200000210301 [0,0,1,0,0,0|1,0,2]=4 24 B5R0.2 C#CCCNC 34a_100102657272_100000688953 [0,0,1,0,0,0|1,0,2]=4 25 B5R0.2 C#CCCNC 7a_106832991635_100000688953 [0,0,1,0,0,0|1,0,2]=4 26 B5R0.2 C#CCCN[13CH3] 34a_100000755551_200025704644 [0,0,1,0,0,0|1,0,2]=4 27 B5R0.2 C#CCCOC 34a_100011215631_200000210301 [0,0,1,0,0,0|1,0,2]=4 28 B5R0.2 C#CCCOC 34a_100138415774_100000688953 [0,0,1,0,0,0|1,0,2]=4 29 B5R0.2 C#CCCO[13CH3] 34a_100011215631_200025704644 [0,0,1,0,0,0|1,0,2]=4 30 B5R0.2 C#CCCSC 62a_100000688953_200000210301 [0,0,1,0,0,0|1,0,2]=4 31 B5R0.2 C#CCCSC 62a_200000210301_100000688953 [0,0,1,0,0,0|1,0,2]=4 32 B5R0.2 C#CCCS[13CH3] 62a_100000688953_200025704644 [0,0,1,0,0,0|1,0,2]=4 33 B5R0.2 C#CCCS[13CH3] 62a_200025704644_100000688953 [0,0,1,0,0,0|1,0,2]=4 34 B5R0.2 C#CCNCC 2230a_100015525214_100000038162 [0,0,1,0,0,0|1,0,2]=4 35 B5R0.2 C#CCNCC 34a_100000212058_100000210202 [0,0,1,0,0,0|1,0,2]=4 36 B5R0.2 C#CCOCC 34a_100000210247_100000210202 [0,0,1,0,0,0|1,0,2]=4 37 B5R0.2 C#CCOCC 34a_100121572206_100000184674 [0,0,1,0,0,0|1,0,2]=4 38 B5R0.2 C#CCSCC 62a_100000038162_100000210202 [0,0,1,0,0,0|1,0,2]=4 39 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [0,0,1,0,0,0|1,0,2]=4 40 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [0,0,1,0,0,0|1,0,2]=4 41 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [0,0,1,0,0,0|1,0,2]=4 42 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [0,0,1,0,0,0|1,0,2]=4 43 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [0,0,1,0,0,0|1,0,2]=4 44 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [0,0,1,0,0,0|1,0,2]=4 45 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [0,0,1,0,0,0|1,0,2]=4 46 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [0,0,1,0,0,0|1,0,2]=4 47 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [0,0,1,0,0,0|1,0,2]=4 48 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [0,0,1,0,0,0|1,0,2]=4 49 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [0,0,1,0,0,0|1,0,2]=4 50 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [0,0,1,0,0,0|1,0,2]=4 51 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [0,0,1,0,0,0|1,0,2]=4 52 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [0,0,1,0,0,0|1,0,2]=4 53 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [0,0,1,0,0,0|1,0,2]=4 54 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [0,0,1,0,0,0|1,0,2]=4 55 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [0,0,1,0,0,0|1,0,2]=4 56 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [0,0,1,0,0,0|1,0,2]=4 57 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [0,0,1,0,0,0|1,0,2]=4 58 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [0,0,1,0,0,0|1,0,2]=4 59 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [0,0,1,0,0,0|1,0,2]=4 60 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [0,0,1,0,0,0|1,0,2]=4 61 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [0,0,1,0,0,0|1,0,2]=4 62 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [0,0,1,0,0,0|1,0,2]=4 63 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [0,0,1,0,0,0|1,0,2]=4 64 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [0,0,1,0,0,0|1,0,2]=4 65 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [0,0,1,0,0,0|1,0,2]=4 66 B5R0.2 CC#CCNC 2230a_100000685387_200000210301 [0,0,1,0,0,0|1,0,2]=4 67 B5R0.2 CC#CCNC 2230a_106832991635_100000748600 [0,0,1,0,0,0|1,0,2]=4 68 B5R0.2 CC#CCNC 34a_100000685387_200000210301 [0,0,1,0,0,0|1,0,2]=4 69 B5R0.2 CC#CCNC 34a_100102657272_100000748600 [0,0,1,0,0,0|1,0,2]=4 70 B5R0.2 CC#CCNC 7a_106832991635_100000748600 [0,0,1,0,0,0|1,0,2]=4 71 B5R0.2 CC#CCN[13CH3] 2230a_100000685387_200025704644 [0,0,1,0,0,0|1,0,2]=4 72 B5R0.2 CC#CCN[13CH3] 34a_100000685387_200025704644 [0,0,1,0,0,0|1,0,2]=4 73 B5R0.2 CC#CCOC 34a_100000761923_200000210301 [0,0,1,0,0,0|1,0,2]=4 74 B5R0.2 CC#CCOC 34a_100138415774_100000748600 [0,0,1,0,0,0|1,0,2]=4 75 B5R0.2 CC#CCO[13CH3] 34a_100000761923_200025704644 [0,0,1,0,0,0|1,0,2]=4 76 B5R0.2 CC#CCSC 62a_100000748600_200000210301 [0,0,1,0,0,0|1,0,2]=4 77 B5R0.2 CC#CCSC 62a_200000210301_100000748600 [0,0,1,0,0,0|1,0,2]=4 78 B5R0.2 CC#CCS[13CH3] 62a_100000748600_200025704644 [0,0,1,0,0,0|1,0,2]=4 79 B5R0.2 CC#CCS[13CH3] 62a_200025704644_100000748600 [0,0,1,0,0,0|1,0,2]=4 80 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [0,0,1,0,0,0|1,0,2]=4 81 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [0,0,1,0,0,0|1,0,2]=4 82 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [0,0,1,0,0,0|1,0,2]=4 83 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [0,0,1,0,0,0|1,0,2]=4 84 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [0,0,1,0,0,0|1,0,2]=4 85 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [0,0,1,0,0,0|1,0,2]=4 86 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [0,0,1,0,0,0|1,0,2]=4 87 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [0,0,1,0,0,0|1,0,2]=4 88 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [0,0,1,0,0,0|2,0,1]=4 89 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [0,0,1,0,0,0|1,0,0]=2 90 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [0,0,1,0,0,0|1,0,0]=2 91 B5R0.2 CCCCNC 34a_100102657272_100000210210 [0,0,1,0,0,0|1,0,0]=2 92 B5R0.2 CCCCNC 7a_106832991635_100000210211 [0,0,1,0,0,0|1,0,0]=2 93 B5R0.2 CCCCNC 7a_106832991798_200000210301 [0,0,1,0,0,0|1,0,0]=2 94 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [0,0,1,0,0,0|1,0,0]=2 95 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [0,0,1,0,0,0|1,0,0]=2 96 B5R0.2 CCCCOC 34a_100000210227_200000210301 [0,0,1,0,0,0|1,0,0]=2 97 B5R0.2 CCCCOC 34a_100138415774_100000210210 [0,0,1,0,0,0|1,0,0]=2 98 B5R0.2 CCCCOC 7a_100000210227_200000210301 [0,0,1,0,0,0|1,0,0]=2 99 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [0,0,1,0,0,0|1,0,0]=2 100 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [0,0,1,0,0,0|1,0,0]=2 101 B5R0.2 CCCCSC 62a_100000210211_200000210301 [0,0,1,0,0,0|1,0,0]=2 102 B5R0.2 CCCCSC 62a_200000210301_100000210210 [0,0,1,0,0,0|1,0,0]=2 103 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [0,0,1,0,0,0|1,0,0]=2 104 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [0,0,1,0,0,0|1,0,0]=2 105 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [0,0,1,0,0,0|1,0,0]=2 106 B5R0.2 CCCOCC 34a_100000210258_100000210202 [0,0,1,0,0,0|1,0,0]=2 107 B5R0.2 CCCOCC 34a_100121572206_100000210303 [0,0,1,0,0,0|1,0,0]=2 108 B5R0.2 CCCOCF 34a_100000210258_100015361967 [0,0,1,0,0,0|2,0,0]=3 109 B5R0.2 CCCSCC 62a_100000210202_100000210303 [0,0,1,0,0,0|1,0,0]=2 110 B5R0.2 CCCSCC 62a_100000210303_100000210202 [0,0,1,0,0,0|1,0,0]=2 111 B5R0.2 CCCSCF 62a_100000210303_100015361967 [0,0,1,0,0,0|2,0,0]=3 112 B5R0.2 CCCSCF 62a_100015361967_100000210303 [0,0,1,0,0,0|2,0,0]=3 113 B5R0.2 CCNCC#N 2230a_100015525214_100011215382 [0,0,1,0,0,0|2,0,1]=4 114 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [0,0,1,0,0,0|2,0,1]=4 115 B5R0.2 CCNCCF 2230a_100015525214_100011217306 [0,0,1,0,0,0|2,0,0]=3 116 B5R0.2 CCNCCF 34a_100000724931_100000210202 [0,0,1,0,0,0|2,0,0]=3 117 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [0,0,1,0,0,0|2,0,0]=3 118 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [0,0,1,0,0,0|2,0,0]=3 119 B5R0.2 CCNCCO 34a_100016990907_100000210202 [0,0,1,0,0,0|2,0,0]=3 120 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [0,0,1,0,0,0|2,0,0]=3 121 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [0,0,1,0,0,0|2,0,0]=3 122 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [0,0,1,0,0,0|2,0,1]=4 123 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [0,0,1,0,0,0|2,0,0]=3 124 B5R0.2 CCOCCF 34a_100121572206_100011217306 [0,0,1,0,0,0|2,0,0]=3 125 B5R0.2 CCOCCN 34a_100000210304_100000210202 [0,0,1,0,0,0|2,0,0]=3 126 B5R0.2 CCOCCO 34a_100121572206_100000211926 [0,0,1,0,0,0|2,0,0]=3 127 B5R0.2 CCOCSC 34a_100121572206_100011218213 [0,0,1,0,0,0|2,0,0]=3 128 B5R0.2 CCOCSC 62a_100000739092_200000210301 [0,0,1,0,0,0|2,0,0]=3 129 B5R0.2 CCOCSC 62a_200000210301_100000739092 [0,0,1,0,0,0|2,0,0]=3 130 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [0,0,1,0,0,0|2,0,0]=3 131 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [0,0,1,0,0,0|2,0,0]=3 132 B5R0.2 CCSCC#N 62a_100000210202_100011215382 [0,0,1,0,0,0|2,0,1]=4 133 B5R0.2 CCSCC#N 62a_100011215382_100000210202 [0,0,1,0,0,0|2,0,1]=4 134 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [0,0,1,0,0,0|2,0,1]=4 135 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [0,0,1,0,0,0|2,0,1]=4 136 B5R0.2 CCSCCF 62a_100000210202_100011217306 [0,0,1,0,0,0|2,0,0]=3 137 B5R0.2 CCSCCF 62a_100011217306_100000210202 [0,0,1,0,0,0|2,0,0]=3 138 B5R0.2 CCSCCO 62a_100000210202_100000211926 [0,0,1,0,0,0|2,0,0]=3 139 B5R0.2 CCSCCO 62a_100000211926_100000210202 [0,0,1,0,0,0|2,0,0]=3 140 B5R0.2 CCSCOC 62a_100000210202_100000766300 [0,0,1,0,0,0|2,0,0]=3 141 B5R0.2 CCSCOC 62a_100000766300_100000210202 [0,0,1,0,0,0|2,0,0]=3 142 B5R0.2 CCSCSC 62a_100000210202_100011218213 [0,0,1,0,0,0|2,0,0]=3 143 B5R0.2 CCSCSC 62a_100011218213_100000210202 [0,0,1,0,0,0|2,0,0]=3 144 B5R0.2 CNCCC#N 2230a_106832991635_100011215226 [0,0,1,0,0,0|2,0,1]=4 145 B5R0.2 CNCCC#N 7a_106832991635_100000184422 [0,0,1,0,0,0|2,0,1]=4 146 B5R0.2 CNCCCF 2230a_100015189416_200000210301 [0,0,1,0,0,0|2,0,0]=3 147 B5R0.2 CNCCCF 2230a_106832991635_100011934791 [0,0,1,0,0,0|2,0,0]=3 148 B5R0.2 CNCCCF 34a_100015189416_200000210301 [0,0,1,0,0,0|2,0,0]=3 149 B5R0.2 CNCCCF 34a_100102657272_100011934791 [0,0,1,0,0,0|2,0,0]=3 150 B5R0.2 CNCCCF 7a_106832991635_100011934791 [0,0,1,0,0,0|2,0,0]=3 151 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [0,0,1,0,0,0|2,0,0]=3 152 B5R0.2 CNCCCO 34a_100102657272_100000230001 [0,0,1,0,0,0|2,0,0]=3 153 B5R0.2 CNCCCO 7a_106832991635_100011215043 [0,0,1,0,0,0|2,0,0]=3 154 B5R0.2 CNCCOC 2230a_100000209980_200000210301 [0,0,1,0,0,0|2,0,0]=3 155 B5R0.2 CNCCOC 2230a_106832991635_100011201679 [0,0,1,0,0,0|2,0,0]=3 156 B5R0.2 CNCCOC 34a_100102657272_100011201679 [0,0,1,0,0,0|2,0,0]=3 157 B5R0.2 CNCCOC 7a_106832991635_100000233755 [0,0,1,0,0,0|2,0,0]=3 158 B5R0.2 CNCCSC 2230a_100020590264_200000210301 [0,0,1,0,0,0|2,0,0]=3 159 B5R0.2 CNCCSC 2230a_106832991635_100000751147 [0,0,1,0,0,0|2,0,0]=3 160 B5R0.2 CNCCSC 34a_100102657272_100000212216 [0,0,1,0,0,0|2,0,0]=3 161 B5R0.2 CNCCSC 7a_106832991635_100000212216 [0,0,1,0,0,0|2,0,0]=3 162 B5R0.2 COCCCBr 34a_100011217188_200000210301 [0,0,1,0,0,0|2,0,0]=3 163 B5R0.2 COCCCCl 34a_100000230001_200000210301 [0,0,1,0,0,0|2,0,0]=3 164 B5R0.2 COCCCF 34a_100000759539_200000210301 [0,0,1,0,0,0|2,0,0]=3 165 B5R0.2 COCCCF 34a_100138415774_100011934791 [0,0,1,0,0,0|2,0,0]=3 166 B5R0.2 COCCCN 34a_100000182051_200000210301 [0,0,1,0,0,0|2,0,0]=3 167 B5R0.2 COCCCO 34a_100138415774_100000230001 [0,0,1,0,0,0|2,0,0]=3 168 B5R0.2 COCCN[13CH3] 2230a_100000209980_200025704644 [0,0,1,0,0,0|2,0,0]=3 169 B5R0.2 COCCOC 34a_100000210237_200000210301 [0,0,1,0,0,0|2,0,0]=3 170 B5R0.2 COCCOC 34a_100138415774_100011201679 [0,0,1,0,0,0|2,0,0]=3 171 B5R0.2 COCCON 34a_100000700252_200000210301 [0,0,1,0,0,0|3,0,0]=4 172 B5R0.2 COCCO[13CH3] 34a_100000210237_200025704644 [0,0,1,0,0,0|2,0,0]=3 173 B5R0.2 COCCSC 34a_100000230434_200000210301 [0,0,1,0,0,0|2,0,0]=3 174 B5R0.2 COCCSC 34a_100138415774_100000212216 [0,0,1,0,0,0|2,0,0]=3 175 B5R0.2 COCCSC 62a_100000233755_200000210301 [0,0,1,0,0,0|2,0,0]=3 176 B5R0.2 COCCSC 62a_200000210301_100000233755 [0,0,1,0,0,0|2,0,0]=3 177 B5R0.2 COCCSC 7a_100000230434_200000210301 [0,0,1,0,0,0|2,0,0]=3 178 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [0,0,1,0,0,0|2,0,0]=3 179 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [0,0,1,0,0,0|2,0,0]=3 180 B5R0.2 COCSCF 62a_100000766300_100015361967 [0,0,1,0,0,0|3,0,0]=4 181 B5R0.2 COCSCF 62a_100015361967_100000766300 [0,0,1,0,0,0|3,0,0]=4 182 B5R0.2 CSCCC#N 62a_100011215226_200000210301 [0,0,1,0,0,0|2,0,1]=4 183 B5R0.2 CSCCC#N 62a_200000210301_100011215226 [0,0,1,0,0,0|2,0,1]=4 184 B5R0.2 CSCCCF 62a_100011934791_200000210301 [0,0,1,0,0,0|2,0,0]=3 185 B5R0.2 CSCCCF 62a_200000210301_100011934791 [0,0,1,0,0,0|2,0,0]=3 186 B5R0.2 CSCCCO 62a_100011215043_200000210301 [0,0,1,0,0,0|2,0,0]=3 187 B5R0.2 CSCCCO 62a_200000210301_100011215043 [0,0,1,0,0,0|2,0,0]=3 188 B5R0.2 CSCCN[13CH3] 2230a_100020590264_200025704644 [0,0,1,0,0,0|2,0,0]=3 189 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [0,0,1,0,0,0|2,0,0]=3 190 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [0,0,1,0,0,0|2,0,0]=3 191 B5R0.2 CSCCSC 62a_100000212216_200000210301 [0,0,1,0,0,0|2,0,0]=3 192 B5R0.2 CSCCSC 62a_200000210301_100000751147 [0,0,1,0,0,0|2,0,0]=3 193 B5R0.2 CSCCS[13CH3] 62a_100000212216_200025704644 [0,0,1,0,0,0|2,0,0]=3 194 B5R0.2 CSCCS[13CH3] 62a_200025704644_100000751147 [0,0,1,0,0,0|2,0,0]=3 195 B5R0.2 CSCSCF 62a_100011218213_100015361967 [0,0,1,0,0,0|3,0,0]=4 196 B5R0.2 CSCSCF 62a_100015361967_100011218213 [0,0,1,0,0,0|3,0,0]=4 197 B5R0.2 FCCNCF 34a_100000724931_100015361967 [0,0,1,0,0,0|3,0,0]=4 198 B5R0.2 FCCSCF 62a_100011217306_100015361967 [0,0,1,0,0,0|3,0,0]=4 199 B5R0.2 FCCSCF 62a_100015361967_100011217306 [0,0,1,0,0,0|3,0,0]=4 200 B5R0.2 FCOCCBr 34a_100000211926_100015361967 [0,0,1,0,0,0|3,0,0]=4 201 B5R0.2 NCCOCF 34a_100000210304_100015361967 [0,0,1,0,0,0|3,0,0]=4 202 B5R0.2 OCCNCF 34a_100016990907_100015361967 [0,0,1,0,0,0|3,0,0]=4 203 B5R0.2 OCCSCF 62a_100000211926_100015361967 [0,0,1,0,0,0|3,0,0]=4 204 B5R0.2 OCCSCF 62a_100015361967_100000211926 [0,0,1,0,0,0|3,0,0]=4 205 B5R0.2 [13CH3]NCCCF 2230a_100015189416_200025704644 [0,0,1,0,0,0|2,0,0]=3 206 B5R0.2 [13CH3]NCCCF 34a_100015189416_200025704644 [0,0,1,0,0,0|2,0,0]=3 207 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [0,0,1,0,0,0|2,0,0]=3 208 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [0,0,1,0,0,0|2,0,0]=3 209 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [0,0,1,0,0,0|2,0,0]=3 210 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [0,0,1,0,0,0|2,0,0]=3 211 B5R0.2 [13CH3]OCCON 34a_100000700252_200025704644 [0,0,1,0,0,0|3,0,0]=4 212 B5R0.2 [13CH3]SCCC#N 62a_100011215226_200025704644 [0,0,1,0,0,0|2,0,1]=4 213 B5R0.2 [13CH3]SCCC#N 62a_200025704644_100011215226 [0,0,1,0,0,0|2,0,1]=4 214 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [0,0,1,0,0,0|2,0,0]=3 215 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [0,0,1,0,0,0|2,0,0]=3 216 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [0,0,1,0,0,0|2,0,0]=3 217 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [0,0,1,0,0,0|2,0,0]=3 218 B4R0.2 CCCNC 2230a_106832991635_100000210303 [1,0,1,0,0,0|1,0,0]=3 219 B4R0.2 CCCNC 34a_100102657272_100000210303 [1,0,1,0,0,0|1,0,0]=3 220 B4R0.2 CCCNC 7a_106832991635_100000210303 [1,0,1,0,0,0|1,0,0]=3 221 B4R0.2 CCCOC 34a_100000210258_200000210301 [1,0,1,0,0,0|1,0,0]=3 222 B4R0.2 CCCOC 34a_100138415774_100000210303 [1,0,1,0,0,0|1,0,0]=3 223 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [1,0,1,0,0,0|1,0,0]=3 224 B4R0.2 CCCSC 62a_100000210303_200000210301 [1,0,1,0,0,0|1,0,0]=3 225 B4R0.2 CCCSC 62a_200000210301_100000210303 [1,0,1,0,0,0|1,0,0]=3 226 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [1,0,1,0,0,0|1,0,0]=3 227 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [1,0,1,0,0,0|1,0,0]=3 228 B4R0.2 CCNCC 2230a_100015525214_100000210202 [1,0,1,0,0,0|1,0,0]=3 229 B4R0.2 CCOCC 34a_100121572206_100000210202 [1,0,1,0,0,0|1,0,0]=3 230 B4R0.2 CCOCF 34a_100121572206_100015361967 [1,0,1,0,0,0|2,0,0]=4 231 B4R0.2 CCSCC 62a_100000210202_100000210202 [1,0,1,0,0,0|1,0,0]=3 232 B4R0.2 CCSCF 62a_100000210202_100015361967 [1,0,1,0,0,0|2,0,0]=4 233 B4R0.2 CCSCF 62a_100015361967_100000210202 [1,0,1,0,0,0|2,0,0]=4 234 B4R0.2 CNCCF 2230a_106832991635_100011217306 [1,0,1,0,0,0|2,0,0]=4 235 B4R0.2 CNCCF 34a_100000724931_200000210301 [1,0,1,0,0,0|2,0,0]=4 236 B4R0.2 CNCCF 34a_100102657272_100011217306 [1,0,1,0,0,0|2,0,0]=4 237 B4R0.2 CNCCF 7a_106832991635_100011217306 [1,0,1,0,0,0|2,0,0]=4 238 B4R0.2 CNCCO 2230a_100016997473_200000210301 [1,0,1,0,0,0|2,0,0]=4 239 B4R0.2 CNCCO 2230a_106832991635_100000211926 [1,0,1,0,0,0|2,0,0]=4 240 B4R0.2 CNCCO 34a_100016990907_200000210301 [1,0,1,0,0,0|2,0,0]=4 241 B4R0.2 CNCCO 34a_100102657272_100000211926 [1,0,1,0,0,0|2,0,0]=4 242 B4R0.2 CNCCO 7a_106832991635_100000211926 [1,0,1,0,0,0|2,0,0]=4 243 B4R0.2 CNCOC 2230a_106832991635_100000766300 [1,0,1,0,0,0|2,0,0]=4 244 B4R0.2 CNCSC 2230a_106832991635_100011218213 [1,0,1,0,0,0|2,0,0]=4 245 B4R0.2 CNCSC 34a_100102657272_100011218213 [1,0,1,0,0,0|2,0,0]=4 246 B4R0.2 COCCBr 34a_100000211926_200000210301 [1,0,1,0,0,0|2,0,0]=4 247 B4R0.2 COCCF 34a_100138415774_100011217306 [1,0,1,0,0,0|2,0,0]=4 248 B4R0.2 COCCN 34a_100000210304_200000210301 [1,0,1,0,0,0|2,0,0]=4 249 B4R0.2 COCCO 34a_100138415774_100000211926 [1,0,1,0,0,0|2,0,0]=4 250 B4R0.2 COCSC 34a_100138415774_100011218213 [1,0,1,0,0,0|2,0,0]=4 251 B4R0.2 COCSC 62a_100000766300_200000210301 [1,0,1,0,0,0|2,0,0]=4 252 B4R0.2 COCSC 62a_200000210301_100000766300 [1,0,1,0,0,0|2,0,0]=4 253 B4R0.2 COCS[13CH3] 62a_100000766300_200025704644 [1,0,1,0,0,0|2,0,0]=4 254 B4R0.2 COCS[13CH3] 62a_200025704644_100000766300 [1,0,1,0,0,0|2,0,0]=4 255 B4R0.2 CSCCF 62a_100011217306_200000210301 [1,0,1,0,0,0|2,0,0]=4 256 B4R0.2 CSCCF 62a_200000210301_100011217306 [1,0,1,0,0,0|2,0,0]=4 257 B4R0.2 CSCCO 62a_100000211926_200000210301 [1,0,1,0,0,0|2,0,0]=4 258 B4R0.2 CSCCO 62a_200000210301_100000211926 [1,0,1,0,0,0|2,0,0]=4 259 B4R0.2 CSCSC 62a_100011218213_200000210301 [1,0,1,0,0,0|2,0,0]=4 260 B4R0.2 CSCSC 62a_200000210301_100011218213 [1,0,1,0,0,0|2,0,0]=4 261 B4R0.2 CSCS[13CH3] 62a_100011218213_200025704644 [1,0,1,0,0,0|2,0,0]=4 262 B4R0.2 CSCS[13CH3] 62a_200025704644_100011218213 [1,0,1,0,0,0|2,0,0]=4 263 B4R0.2 [13CH3]NCCF 34a_100000724931_200025704644 [1,0,1,0,0,0|2,0,0]=4 264 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [1,0,1,0,0,0|2,0,0]=4 265 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [1,0,1,0,0,0|2,0,0]=4 266 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [1,0,1,0,0,0|2,0,0]=4 267 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [1,0,1,0,0,0|2,0,0]=4 268 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [1,0,1,0,0,0|2,0,0]=4 269 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [1,0,1,0,0,0|2,0,0]=4 270 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [1,0,1,0,0,0|2,0,0]=4 271 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [1,0,1,0,0,0|2,0,0]=4 272 B6R0.1 CC(CCBr)O[13CH3] 34a_100012276601_200025704644 [0,1,1,0,0,0|2,0,0]=4 273 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [0,1,1,0,0,0|2,0,0]=4 274 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [0,1,1,0,0,0|2,0,0]=4 275 B6R0.1 CC(CN)CO[13CH3] 34a_100000744482_200025704644 [0,1,1,0,0,0|2,0,0]=4 276 B6R0.1 CC(CO)CN[13CH3] 34a_100000744482_200025704644 [0,1,1,0,0,0|2,0,0]=4 277 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [0,1,1,0,0,0|1,0,1]=4 278 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [0,1,1,0,0,0|1,0,1]=4 279 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [0,1,1,0,0,0|1,0,1]=4 280 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [0,1,1,0,0,0|1,0,1]=4 281 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [0,1,1,0,0,0|1,0,1]=4 282 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [0,1,1,0,0,0|1,0,1]=4 283 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [0,1,1,0,0,0|1,0,1]=4 284 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [0,1,1,0,0,0|1,0,1]=4 285 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [0,1,1,0,0,0|1,0,1]=4 286 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [0,1,1,0,0,0|1,0,1]=4 287 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [0,1,1,0,0,0|1,0,1]=4 288 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [0,1,1,0,0,0|1,0,1]=4 289 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [0,1,1,0,0,0|1,0,0]=3 290 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [0,1,1,0,0,0|1,0,0]=3 291 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [0,1,1,0,0,0|1,0,0]=3 292 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [0,1,1,0,0,0|1,0,0]=3 293 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [0,1,1,0,0,0|1,0,0]=3 294 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [0,1,1,0,0,0|1,0,0]=3 295 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [0,1,1,0,0,0|1,0,0]=3 296 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [0,1,1,0,0,0|1,0,0]=3 297 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [0,1,1,0,0,0|1,0,0]=3 298 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [0,1,1,0,0,0|1,0,0]=3 299 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [0,1,1,0,0,0|1,0,0]=3 300 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [0,1,1,0,0,0|2,0,0]=4 301 B6R0.1 CCC(C)SCF 62a_100000758301_100015361967 [0,1,1,0,0,0|2,0,0]=4 302 B6R0.1 CCC(C)SCF 62a_100015361967_100000758301 [0,1,1,0,0,0|2,0,0]=4 303 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [0,1,1,0,0,0|1,0,0]=3 304 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [0,1,1,0,0,0|1,0,0]=3 305 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [0,1,1,0,0,0|1,0,0]=3 306 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [0,1,1,0,0,0|1,0,0]=3 307 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [0,1,1,0,0,0|1,0,0]=3 308 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [0,1,1,0,0,0|1,0,0]=3 309 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [0,1,1,0,0,0|1,0,0]=3 310 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [0,1,1,0,0,0|1,0,0]=3 311 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [0,1,1,0,0,0|1,0,0]=3 312 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [0,1,1,0,0,0|1,0,0]=3 313 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [0,1,1,0,0,0|0,0,1]=3 314 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [0,1,1,0,0,0|0,0,1]=3 315 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [0,1,1,0,0,0|1,0,1]=4 316 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [0,1,1,0,0,0|1,0,1]=4 317 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [0,1,1,0,0,0|1,0,1]=4 318 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [0,1,1,0,0,0|1,0,1]=4 319 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [0,1,1,0,0,0|1,0,1]=4 320 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [0,1,1,0,0,0|1,0,1]=4 321 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [0,1,1,0,0,0|1,0,0]=3 322 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [0,1,1,0,0,0|1,0,0]=3 323 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [0,1,1,0,0,0|1,0,0]=3 324 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [0,1,1,0,0,0|1,0,0]=3 325 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [0,1,1,0,0,0|1,0,0]=3 326 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [0,1,1,0,0,0|1,0,0]=3 327 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [0,1,1,0,0,0|1,0,0]=3 328 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [0,1,1,0,0,0|1,0,0]=3 329 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [0,1,1,0,0,0|1,0,0]=3 330 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [0,1,1,0,0,0|1,0,0]=3 331 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [0,1,1,0,0,0|1,0,0]=3 332 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [0,1,1,0,0,0|1,0,0]=3 333 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [0,1,1,0,0,0|1,0,0]=3 334 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [0,1,1,0,0,0|1,0,0]=3 335 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [0,1,1,0,0,0|1,0,0]=3 336 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [0,1,1,0,0,0|1,0,0]=3 337 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [0,1,1,0,0,0|1,0,0]=3 338 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [0,1,1,0,0,0|1,0,0]=3 339 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [0,1,1,0,0,0|1,0,0]=3 340 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [0,1,1,0,0,0|1,0,0]=3 341 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [0,1,1,0,0,0|1,0,0]=3 342 B6R0.1 CCCN(C)CF 269982a_100000747261_100015361967 [0,1,1,0,0,0|2,0,0]=4 343 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [0,1,1,0,0,0|1,0,0]=3 344 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [0,1,1,0,0,0|1,0,0]=3 345 B6R0.1 CCN(C)CCF 2230a_100000225621_100011217306 [0,1,1,0,0,0|2,0,0]=4 346 B6R0.1 CCN(C)CCF 269982a_100000225621_100011217306 [0,1,1,0,0,0|2,0,0]=4 347 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [0,1,1,0,0,0|2,0,0]=4 348 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [0,1,1,0,0,0|2,0,0]=4 349 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [0,1,1,0,0,0|2,0,0]=4 350 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [0,1,1,0,0,0|2,0,0]=4 351 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [0,1,1,0,0,0|2,0,0]=4 352 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [0,1,1,0,0,0|2,0,0]=4 353 B6R0.1 CCN(C)COC 2230a_100000225621_100000766300 [0,1,1,0,0,0|2,0,0]=4 354 B6R0.1 CCN(C)COC 269982a_100000225621_100000766300 [0,1,1,0,0,0|2,0,0]=4 355 B6R0.1 CCN(C)CSC 2230a_100000225621_100011218213 [0,1,1,0,0,0|2,0,0]=4 356 B6R0.1 CCN(C)CSC 269982a_100000225621_100011218213 [0,1,1,0,0,0|2,0,0]=4 357 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [0,1,1,0,0,0|2,0,0]=4 358 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [0,1,1,0,0,0|2,0,0]=4 359 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [0,1,1,0,0,0|1,0,1]=4 360 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [0,1,1,0,0,0|1,0,1]=4 361 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [0,1,1,0,0,0|1,0,1]=4 362 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [0,1,1,0,0,0|1,0,0]=3 363 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [0,1,1,0,0,0|1,0,0]=3 364 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [0,1,1,0,0,0|2,0,0]=4 365 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [0,1,1,0,0,0|2,0,0]=4 366 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [0,1,1,0,0,0|1,0,0]=3 367 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [0,1,1,0,0,0|1,0,0]=3 368 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [0,1,1,0,0,0|2,0,0]=4 369 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [0,1,1,0,0,0|2,0,0]=4 370 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [0,1,1,0,0,0|2,0,0]=4 371 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [0,1,1,0,0,0|2,0,0]=4 372 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [0,1,1,0,0,0|1,0,0]=3 373 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [0,1,1,0,0,0|1,0,0]=3 374 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [0,1,1,0,0,0|2,0,0]=4 375 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [0,1,1,0,0,0|2,0,0]=4 376 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [0,1,1,0,0,0|2,0,0]=4 377 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [0,1,1,0,0,0|2,0,0]=4 378 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [0,1,1,0,0,0|2,0,0]=4 379 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [0,1,1,0,0,0|1,0,0]=3 380 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [0,1,1,0,0,0|1,0,0]=3 381 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [0,1,1,0,0,0|1,0,0]=3 382 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [0,1,1,0,0,0|1,0,0]=3 383 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [0,1,1,0,0,0|1,0,0]=3 384 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [0,1,1,0,0,0|1,0,0]=3 385 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [0,1,1,0,0,0|1,0,0]=3 386 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [0,1,1,0,0,0|1,0,0]=3 387 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [0,1,1,0,0,0|1,0,0]=3 388 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [0,1,1,0,0,0|1,0,0]=3 389 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [0,1,1,0,0,0|2,0,0]=4 390 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [0,1,1,0,0,0|2,0,0]=4 391 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [0,1,1,0,0,0|2,0,0]=4 392 B6R0.1 CNC(C)COC 2230a_106832991635_100000765312 [0,1,1,0,0,0|2,0,0]=4 393 B6R0.1 CNC(C)COC 270004a_106832991635_100000749346 [0,1,1,0,0,0|2,0,0]=4 394 B6R0.1 CNC(C)COC 34a_100102657272_100000765312 [0,1,1,0,0,0|2,0,0]=4 395 B6R0.1 CNC(C)COC 7a_106832991635_100000765312 [0,1,1,0,0,0|2,0,0]=4 396 B6R0.1 CNC(C)CSC 270004a_106832991635_100011216314 [0,1,1,0,0,0|2,0,0]=4 397 B6R0.1 CNCC(C)CO 34a_100000744482_200000210301 [0,1,1,0,0,0|2,0,0]=4 398 B6R0.1 CNCC(O)CO 2230a_106832991635_100011219619 [0,1,1,0,0,0|2,0,0]=4 399 B6R0.1 CNCC(O)CO 34a_100102657272_100011219619 [0,1,1,0,0,0|2,0,0]=4 400 B6R0.1 CNCC(O)CO 7a_106832991635_100011219619 [0,1,1,0,0,0|2,0,0]=4 401 B6R0.1 CNC[C@@H](C)CO 2230a_106832991635_100000059175 [0,1,1,0,0,0|2,0,0]=4 402 B6R0.1 CNC[C@@H](C)CO 34a_100102657272_100000059175 [0,1,1,0,0,0|2,0,0]=4 403 B6R0.1 CNC[C@@H](C)CO 7a_106832991635_100000059175 [0,1,1,0,0,0|2,0,0]=4 404 B6R0.1 CNC[C@@H](C)OC 2230a_100020591295_200000210301 [0,1,1,0,0,0|2,0,0]=4 405 B6R0.1 CNC[C@@H](F)CO 34a_100015665980_200000210301 [0,1,1,0,0,0|2,0,0]=4 406 B6R0.1 CNC[C@@H](O)CF 2230a_106832991635_100015614560 [0,1,1,0,0,0|2,0,0]=4 407 B6R0.1 CNC[C@@H](O)CF 34a_100102657272_100015614560 [0,1,1,0,0,0|2,0,0]=4 408 B6R0.1 CNC[C@@H](O)CF 7a_106832991635_100015614560 [0,1,1,0,0,0|2,0,0]=4 409 B6R0.1 CNC[C@@H](O)CO 2230a_106832991635_100009815848 [0,1,1,0,0,0|2,0,0]=4 410 B6R0.1 CNC[C@@H](O)CO 34a_100102657272_100009815848 [0,1,1,0,0,0|2,0,0]=4 411 B6R0.1 CNC[C@@H](O)CO 7a_106832991635_100009815848 [0,1,1,0,0,0|2,0,0]=4 412 B6R0.1 CNC[C@H](O)CO 2230a_100020644852_200000210301 [0,1,1,0,0,0|2,0,0]=4 413 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [0,1,1,0,0,0|2,0,0]=4 414 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [0,1,1,0,0,0|2,0,0]=4 415 B6R0.1 CN[C@H](C)COC 2230a_100000764878_200000210301 [0,1,1,0,0,0|2,0,0]=4 416 B6R0.1 COC(C)CCBr 34a_100012276601_200000210301 [0,1,1,0,0,0|2,0,0]=4 417 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [0,1,1,0,0,0|2,0,0]=4 418 B6R0.1 COC(C)CO[13CH3] 34a_100000690652_200025704644 [0,1,1,0,0,0|2,0,0]=4 419 B6R0.1 COCC(C)CN 34a_100000744482_200000210301 [0,1,1,0,0,0|2,0,0]=4 420 B6R0.1 COCC(C)OC 34a_100000690652_200000210301 [0,1,1,0,0,0|2,0,0]=4 421 B6R0.1 COCC(C)OC 34a_100138415774_100000765312 [0,1,1,0,0,0|2,0,0]=4 422 B6R0.1 COCC(C)SC 62a_100000765312_200000210301 [0,1,1,0,0,0|2,0,0]=4 423 B6R0.1 COCC(C)SC 62a_200000210301_100000765312 [0,1,1,0,0,0|2,0,0]=4 424 B6R0.1 COCC(C)S[13CH3] 62a_100000765312_200025704644 [0,1,1,0,0,0|2,0,0]=4 425 B6R0.1 COCC(C)S[13CH3] 62a_200025704644_100000765312 [0,1,1,0,0,0|2,0,0]=4 426 B6R0.1 COCC(Cl)CCl 34a_100000033668_200000210301 [0,1,1,0,0,0|2,0,0]=4 427 B6R0.1 COCC(O)CO 34a_100138415774_100011219619 [0,1,1,0,0,0|2,0,0]=4 428 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [0,1,1,0,0,0|2,0,0]=4 429 B6R0.1 COC[C@@H](C)N[13CH3] 2230a_100000764878_200025704644 [0,1,1,0,0,0|2,0,0]=4 430 B6R0.1 COC[C@@H](C)OC 34a_100011934205_200000210301 [0,1,1,0,0,0|2,0,0]=4 431 B6R0.1 COC[C@@H](C)O[13CH3] 34a_100011934205_200025704644 [0,1,1,0,0,0|2,0,0]=4 432 B6R0.1 COC[C@@H](O)CF 34a_100138415774_100015614560 [0,1,1,0,0,0|2,0,0]=4 433 B6R0.1 COC[C@@H](O)CO 34a_100138415774_100009815848 [0,1,1,0,0,0|2,0,0]=4 434 B6R0.1 COC[C@H](F)CN 34a_100015665980_200000210301 [0,1,1,0,0,0|2,0,0]=4 435 B6R0.1 CO[C@H](C)CN[13CH3] 2230a_100020591295_200025704644 [0,1,1,0,0,0|2,0,0]=4 436 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [0,1,1,0,0,0|2,0,0]=4 437 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [0,1,1,0,0,0|2,0,0]=4 438 B6R0.1 CSCC(O)CO 62a_100011219619_200000210301 [0,1,1,0,0,0|2,0,0]=4 439 B6R0.1 CSCC(O)CO 62a_200000210301_100011219619 [0,1,1,0,0,0|2,0,0]=4 440 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [0,1,1,0,0,0|2,0,0]=4 441 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [0,1,1,0,0,0|2,0,0]=4 442 B6R0.1 CSC[C@@H](O)CF 62a_100015614560_200000210301 [0,1,1,0,0,0|2,0,0]=4 443 B6R0.1 CSC[C@@H](O)CF 62a_200000210301_100015614560 [0,1,1,0,0,0|2,0,0]=4 444 B6R0.1 CSC[C@@H](O)CO 62a_100009815848_200000210301 [0,1,1,0,0,0|2,0,0]=4 445 B6R0.1 CSC[C@@H](O)CO 62a_200000210301_100009815848 [0,1,1,0,0,0|2,0,0]=4 446 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [0,1,1,0,0,0|2,0,0]=4 447 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [0,1,1,0,0,0|2,0,0]=4 448 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [0,1,1,0,0,0|2,0,0]=4 449 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [0,1,1,0,0,0|2,0,0]=4 450 B6R0.1 [13CH3]NC[C@@H](F)CO 34a_100015665980_200025704644 [0,1,1,0,0,0|2,0,0]=4 451 B6R0.1 [13CH3]NC[C@H](O)CO 2230a_100020644852_200025704644 [0,1,1,0,0,0|2,0,0]=4 452 B6R0.1 [13CH3]OCC(Cl)CCl 34a_100000033668_200025704644 [0,1,1,0,0,0|2,0,0]=4 453 B6R0.1 [13CH3]OC[C@H](F)CN 34a_100015665980_200025704644 [0,1,1,0,0,0|2,0,0]=4 454 B6R0.1 [13CH3]SCC(O)CO 62a_100011219619_200025704644 [0,1,1,0,0,0|2,0,0]=4 455 B6R0.1 [13CH3]SCC(O)CO 62a_200025704644_100011219619 [0,1,1,0,0,0|2,0,0]=4 456 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_100015614560_200025704644 [0,1,1,0,0,0|2,0,0]=4 457 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_200025704644_100015614560 [0,1,1,0,0,0|2,0,0]=4 458 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_100009815848_200025704644 [0,1,1,0,0,0|2,0,0]=4 459 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_200025704644_100009815848 [0,1,1,0,0,0|2,0,0]=4 460 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [0,1,1,0,0,0|1,0,1]=4 461 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [0,1,1,0,0,0|1,0,1]=4 462 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [0,1,1,0,0,0|1,0,1]=4 463 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [0,1,1,0,0,0|1,0,1]=4 464 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [0,1,1,0,0,0|1,0,1]=4 465 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [0,1,1,0,0,0|1,0,1]=4 466 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [0,1,1,0,0,0|1,0,1]=4 467 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [0,1,1,0,0,0|1,0,1]=4 468 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [0,1,1,0,0,0|1,0,1]=4 469 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [0,1,1,0,0,0|1,0,1]=4 470 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [0,1,1,0,0,0|1,0,1]=4 471 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [0,1,1,0,0,0|1,0,1]=4 472 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [0,1,1,0,0,0|1,0,1]=4 473 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [0,1,1,0,0,0|1,0,1]=4 474 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [0,1,1,0,0,0|1,0,1]=4 475 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [0,1,1,0,0,0|1,0,1]=4 476 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [0,1,1,0,0,0|1,0,1]=4 477 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [0,1,1,0,0,0|1,0,1]=4 478 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [0,1,1,0,0,0|1,0,1]=4 479 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [0,1,1,0,0,0|1,0,1]=4 480 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [0,1,1,0,0,0|1,0,1]=4 481 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [0,1,1,0,0,0|1,0,0]=3 482 B6R0.4 CC(Br)COCF 34a_100012180447_100015361967 [0,1,1,0,0,0|2,0,0]=4 483 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [0,1,1,0,0,0|1,0,0]=3 484 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [0,1,1,0,0,0|1,0,0]=3 485 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [0,1,1,0,0,0|1,0,0]=3 486 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [0,1,1,0,0,0|1,0,0]=3 487 B6R0.4 CC(C)CNCF 34a_100000210953_100015361967 [0,1,1,0,0,0|2,0,0]=4 488 B6R0.4 CC(C)COCF 34a_100000210257_100015361967 [0,1,1,0,0,0|2,0,0]=4 489 B6R0.4 CC(C)CSCF 62a_100000210624_100015361967 [0,1,1,0,0,0|2,0,0]=4 490 B6R0.4 CC(C)CSCF 62a_100015361967_100000210760 [0,1,1,0,0,0|2,0,0]=4 491 B6R0.4 CC(C)NCCF 2230a_100138425928_100011217306 [0,1,1,0,0,0|2,0,0]=4 492 B6R0.4 CC(C)NCCF 34a_100000724931_100000210206 [0,1,1,0,0,0|2,0,0]=4 493 B6R0.4 CC(C)NCCF 34a_100138425928_100011217306 [0,1,1,0,0,0|2,0,0]=4 494 B6R0.4 CC(C)NCCO 2230a_100016997473_100000210206 [0,1,1,0,0,0|2,0,0]=4 495 B6R0.4 CC(C)NCCO 2230a_100138425928_100000211926 [0,1,1,0,0,0|2,0,0]=4 496 B6R0.4 CC(C)NCCO 34a_100016990907_100000210206 [0,1,1,0,0,0|2,0,0]=4 497 B6R0.4 CC(C)NCCO 34a_100138425928_100000211926 [0,1,1,0,0,0|2,0,0]=4 498 B6R0.4 CC(C)OCCBr 34a_100000211926_100000210206 [0,1,1,0,0,0|2,0,0]=4 499 B6R0.4 CC(C)OCCF 34a_100000212225_100011217306 [0,1,1,0,0,0|2,0,0]=4 500 B6R0.4 CC(C)OCCN 34a_100000210304_100000210206 [0,1,1,0,0,0|2,0,0]=4 501 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [0,1,1,0,0,0|2,0,0]=4 502 B6R0.4 CC(C)OCS[13CH3] 62a_100000709892_200025704644 [0,1,1,0,0,0|2,0,0]=4 503 B6R0.4 CC(C)OCS[13CH3] 62a_200025704644_100000709892 [0,1,1,0,0,0|2,0,0]=4 504 B6R0.4 CC(C)SCCF 62a_100000210206_100011217306 [0,1,1,0,0,0|2,0,0]=4 505 B6R0.4 CC(C)SCCF 62a_100011217306_100000210206 [0,1,1,0,0,0|2,0,0]=4 506 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [0,1,1,0,0,0|2,0,0]=4 507 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [0,1,1,0,0,0|2,0,0]=4 508 B6R0.4 CC(F)COCF 34a_100015925927_100015361967 [0,1,1,0,0,0|2,0,0]=4 509 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [0,1,1,0,0,0|1,0,0]=3 510 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [0,1,1,0,0,0|1,0,0]=3 511 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [0,1,1,0,0,0|1,0,0]=3 512 B6R0.4 CC(O)CNCF 34a_100000210904_100015361967 [0,1,1,0,0,0|2,0,0]=4 513 B6R0.4 CC(O)CSCF 62a_100011218427_100015361967 [0,1,1,0,0,0|2,0,0]=4 514 B6R0.4 CC(O)CSCF 62a_100015361967_100011218427 [0,1,1,0,0,0|2,0,0]=4 515 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [0,1,1,0,0,0|0,0,1]=3 516 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [0,1,1,0,0,0|0,0,1]=3 517 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [0,1,1,0,0,0|0,0,1]=3 518 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [0,1,1,0,0,0|1,0,0]=3 519 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [0,1,1,0,0,0|1,0,0]=3 520 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [0,1,1,0,0,0|1,0,0]=3 521 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [0,1,1,0,0,0|1,0,0]=3 522 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [0,1,1,0,0,0|1,0,0]=3 523 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [0,1,1,0,0,0|1,0,0]=3 524 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [0,1,1,0,0,0|1,0,1]=4 525 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [0,1,1,0,0,0|1,0,1]=4 526 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [0,1,1,0,0,0|1,0,1]=4 527 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [0,1,1,0,0,0|1,0,1]=4 528 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [0,1,1,0,0,0|1,0,0]=3 529 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [0,1,1,0,0,0|1,0,0]=3 530 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [0,1,1,0,0,0|1,0,0]=3 531 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [0,1,1,0,0,0|1,0,0]=3 532 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [0,1,1,0,0,0|1,0,0]=3 533 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [0,1,1,0,0,0|1,0,0]=3 534 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [0,1,1,0,0,0|1,0,0]=3 535 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [0,1,1,0,0,0|1,0,0]=3 536 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [0,1,1,0,0,0|1,0,0]=3 537 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [0,1,1,0,0,0|1,0,0]=3 538 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [0,1,1,0,0,0|1,0,0]=3 539 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [0,1,1,0,0,0|1,0,0]=3 540 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [0,1,1,0,0,0|1,0,0]=3 541 B6R0.4 CCNCC(F)F 2230a_100015525214_100011934356 [0,1,1,0,0,0|2,0,0]=4 542 B6R0.4 CCNCC(F)F 34a_100000765723_100000210202 [0,1,1,0,0,0|2,0,0]=4 543 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [0,1,1,0,0,0|1,0,0]=3 544 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [0,1,1,0,0,0|1,0,1]=4 545 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [0,1,1,0,0,0|1,0,1]=4 546 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [0,1,1,0,0,0|1,0,1]=4 547 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [0,1,1,0,0,0|1,0,0]=3 548 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [0,1,1,0,0,0|1,0,0]=3 549 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [0,1,1,0,0,0|1,0,0]=3 550 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [0,1,1,0,0,0|1,0,0]=3 551 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [0,1,1,0,0,0|1,0,0]=3 552 B6R0.4 CCOCC(F)F 34a_100000743014_100000210202 [0,1,1,0,0,0|2,0,0]=4 553 B6R0.4 CCOCC(F)F 34a_100121572206_100011934356 [0,1,1,0,0,0|2,0,0]=4 554 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [0,1,1,0,0,0|2,0,0]=4 555 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [0,1,1,0,0,0|1,0,0]=3 556 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [0,1,1,0,0,0|1,0,0]=3 557 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [0,1,1,0,0,0|1,0,0]=3 558 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [0,1,1,0,0,0|1,0,1]=4 559 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [0,1,1,0,0,0|1,0,1]=4 560 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [0,1,1,0,0,0|1,0,0]=3 561 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [0,1,1,0,0,0|1,0,0]=3 562 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [0,1,1,0,0,0|1,0,0]=3 563 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [0,1,1,0,0,0|1,0,0]=3 564 B6R0.4 CCSCC(F)F 62a_100000210202_100011934356 [0,1,1,0,0,0|2,0,0]=4 565 B6R0.4 CCSCC(F)F 62a_100011934356_100000210202 [0,1,1,0,0,0|2,0,0]=4 566 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [0,1,1,0,0,0|1,0,0]=3 567 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [0,1,1,0,0,0|1,0,0]=3 568 B6R0.4 CN(C)CCCF 2230a_100102631434_100011934791 [0,1,1,0,0,0|2,0,0]=4 569 B6R0.4 CN(C)CCCF 269982a_100102631434_100011934791 [0,1,1,0,0,0|2,0,0]=4 570 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [0,1,1,0,0,0|2,0,0]=4 571 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [0,1,1,0,0,0|2,0,0]=4 572 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [0,1,1,0,0,0|2,0,0]=4 573 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [0,1,1,0,0,0|2,0,0]=4 574 B6R0.4 CN(C)CCS[13CH3] 62a_200025704644_100000755713 [0,1,1,0,0,0|2,0,0]=4 575 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [0,1,1,0,0,0|2,0,0]=4 576 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [0,1,1,0,0,0|2,0,0]=4 577 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [0,1,1,0,0,0|1,0,1]=4 578 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [0,1,1,0,0,0|1,0,0]=3 579 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [0,1,1,0,0,0|1,0,0]=3 580 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [0,1,1,0,0,0|1,0,0]=3 581 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [0,1,1,0,0,0|1,0,0]=3 582 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [0,1,1,0,0,0|1,0,0]=3 583 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [0,1,1,0,0,0|1,0,0]=3 584 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [0,1,1,0,0,0|1,0,0]=3 585 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [0,1,1,0,0,0|1,0,0]=3 586 B6R0.4 CNCCN(C)C 7a_106832991635_100000755713 [0,1,1,0,0,0|2,0,0]=4 587 B6R0.4 CNCOC(C)C 2230a_106832991635_100000709892 [0,1,1,0,0,0|2,0,0]=4 588 B6R0.4 CNCOC(C)C 34a_100102657272_100000709892 [0,1,1,0,0,0|2,0,0]=4 589 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [0,1,1,0,0,0|1,0,1]=4 590 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [0,1,1,0,0,0|1,0,1]=4 591 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [0,1,1,0,0,0|1,0,1]=4 592 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [0,1,1,0,0,0|1,0,1]=4 593 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [0,1,1,0,0,0|1,0,1]=4 594 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [0,1,1,0,0,0|1,0,0]=3 595 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [0,1,1,0,0,0|1,0,0]=3 596 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [0,1,1,0,0,0|1,0,0]=3 597 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [0,1,1,0,0,0|1,0,0]=3 598 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [0,1,1,0,0,0|1,0,0]=3 599 B6R0.4 COCCC(F)F 34a_100103093639_200000210301 [0,1,1,0,0,0|2,0,0]=4 600 B6R0.4 COCCN(C)C 2230a_100000743101_200000210301 [0,1,1,0,0,0|2,0,0]=4 601 B6R0.4 COCCN(C)C 2230a_100102631434_100011201679 [0,1,1,0,0,0|2,0,0]=4 602 B6R0.4 COCCN(C)C 269982a_100000743101_200000210301 [0,1,1,0,0,0|2,0,0]=4 603 B6R0.4 COCCN(C)C 269982a_100102631434_100000233755 [0,1,1,0,0,0|2,0,0]=4 604 B6R0.4 COCCN(C)[13CH3] 2230a_100000743101_200025704644 [0,1,1,0,0,0|2,0,0]=4 605 B6R0.4 COCCN(C)[13CH3] 269982a_100000743101_200025704644 [0,1,1,0,0,0|2,0,0]=4 606 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [0,1,1,0,0,0|1,0,0]=3 607 B6R0.4 COCNC(C)C 2230a_100138425928_100000766300 [0,1,1,0,0,0|2,0,0]=4 608 B6R0.4 COCOC(C)C 34a_100138415774_100000709892 [0,1,1,0,0,0|2,0,0]=4 609 B6R0.4 COCSC(C)C 62a_100000210206_100000766300 [0,1,1,0,0,0|2,0,0]=4 610 B6R0.4 COCSC(C)C 62a_100000766300_100000210206 [0,1,1,0,0,0|2,0,0]=4 611 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [0,1,1,0,0,0|1,0,1]=4 612 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [0,1,1,0,0,0|1,0,1]=4 613 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [0,1,1,0,0,0|1,0,1]=4 614 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [0,1,1,0,0,0|1,0,1]=4 615 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [0,1,1,0,0,0|1,0,1]=4 616 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [0,1,1,0,0,0|1,0,0]=3 617 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [0,1,1,0,0,0|1,0,0]=3 618 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [0,1,1,0,0,0|1,0,0]=3 619 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [0,1,1,0,0,0|1,0,0]=3 620 B6R0.4 CSCCN(C)C 2230a_100000686725_200000210301 [0,1,1,0,0,0|2,0,0]=4 621 B6R0.4 CSCCN(C)C 2230a_100102631434_100000751147 [0,1,1,0,0,0|2,0,0]=4 622 B6R0.4 CSCCN(C)C 269982a_100000686725_200000210301 [0,1,1,0,0,0|2,0,0]=4 623 B6R0.4 CSCCN(C)C 269982a_100102631434_100000212216 [0,1,1,0,0,0|2,0,0]=4 624 B6R0.4 CSCCN(C)C 62a_200000210301_100000755713 [0,1,1,0,0,0|2,0,0]=4 625 B6R0.4 CSCCN(C)[13CH3] 2230a_100000686725_200025704644 [0,1,1,0,0,0|2,0,0]=4 626 B6R0.4 CSCCN(C)[13CH3] 269982a_100000686725_200025704644 [0,1,1,0,0,0|2,0,0]=4 627 B6R0.4 CSCNC(C)C 2230a_100138425928_100011218213 [0,1,1,0,0,0|2,0,0]=4 628 B6R0.4 CSCNC(C)C 34a_100138425928_100011218213 [0,1,1,0,0,0|2,0,0]=4 629 B6R0.4 CSCOC(C)C 34a_100000212225_100011218213 [0,1,1,0,0,0|2,0,0]=4 630 B6R0.4 CSCOC(C)C 62a_100000709892_200000210301 [0,1,1,0,0,0|2,0,0]=4 631 B6R0.4 CSCOC(C)C 62a_200000210301_100000709892 [0,1,1,0,0,0|2,0,0]=4 632 B6R0.4 CSCSC(C)C 62a_100000210206_100011218213 [0,1,1,0,0,0|2,0,0]=4 633 B6R0.4 CSCSC(C)C 62a_100011218213_100000210206 [0,1,1,0,0,0|2,0,0]=4 634 B6R0.4 C[C@@H](Cl)COCF 34a_100016084084_100015361967 [0,1,1,0,0,0|2,0,0]=4 635 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [0,1,1,0,0,0|1,0,0]=3 636 B6R0.4 C[C@@H](N)COCF 34a_100000737577_100015361967 [0,1,1,0,0,0|2,0,0]=4 637 B6R0.4 C[C@@H](O)CSCF 62a_100009817552_100015361967 [0,1,1,0,0,0|2,0,0]=4 638 B6R0.4 C[C@@H](O)CSCF 62a_100015361967_100009817552 [0,1,1,0,0,0|2,0,0]=4 639 B6R0.4 [13CH3]OCCC(F)F 34a_100103093639_200025704644 [0,1,1,0,0,0|2,0,0]=4 640 B6R0.6 C#CCCCNC 2230a_106832991635_100000731252 [0,1,1,0,0,0|0,0,2]=4 641 B6R0.6 C#CCCCNC 34a_100000718082_200000210301 [0,1,1,0,0,0|0,0,2]=4 642 B6R0.6 C#CCCCNC 34a_100102657272_100000695029 [0,1,1,0,0,0|0,0,2]=4 643 B6R0.6 C#CCCCNC 7a_106832991635_100011215417 [0,1,1,0,0,0|0,0,2]=4 644 B6R0.6 C#CCCCN[13CH3] 34a_100000718082_200025704644 [0,1,1,0,0,0|0,0,2]=4 645 B6R0.6 C#CCCCOC 34a_100000215630_200000210301 [0,1,1,0,0,0|0,0,2]=4 646 B6R0.6 C#CCCCOC 34a_100138415774_100000695029 [0,1,1,0,0,0|0,0,2]=4 647 B6R0.6 C#CCCCOC 7a_100000215630_200000210301 [0,1,1,0,0,0|0,0,2]=4 648 B6R0.6 C#CCCCO[13CH3] 34a_100000215630_200025704644 [0,1,1,0,0,0|0,0,2]=4 649 B6R0.6 C#CCCCO[13CH3] 7a_100000215630_200025704644 [0,1,1,0,0,0|0,0,2]=4 650 B6R0.6 C#CCCCSC 62a_100011215417_200000210301 [0,1,1,0,0,0|0,0,2]=4 651 B6R0.6 C#CCCCSC 62a_200000210301_100011215417 [0,1,1,0,0,0|0,0,2]=4 652 B6R0.6 C#CCCCS[13CH3] 62a_100011215417_200025704644 [0,1,1,0,0,0|0,0,2]=4 653 B6R0.6 C#CCCCS[13CH3] 62a_200025704644_100011215417 [0,1,1,0,0,0|0,0,2]=4 654 B6R0.6 C#CCCNCC 2230a_100015525214_100000688953 [0,1,1,0,0,0|0,0,2]=4 655 B6R0.6 C#CCCNCC 34a_100000755551_100000210202 [0,1,1,0,0,0|0,0,2]=4 656 B6R0.6 C#CCCOCC 34a_100011215631_100000210202 [0,1,1,0,0,0|0,0,2]=4 657 B6R0.6 C#CCCOCC 34a_100121572206_100000688953 [0,1,1,0,0,0|0,0,2]=4 658 B6R0.6 C#CCCSCC 62a_100000210202_100000688953 [0,1,1,0,0,0|0,0,2]=4 659 B6R0.6 C#CCCSCC 62a_100000688953_100000210202 [0,1,1,0,0,0|0,0,2]=4 660 B6R0.6 C#CCNCCC 34a_100000212058_100000210303 [0,1,1,0,0,0|0,0,2]=4 661 B6R0.6 C#CCOCCC 34a_100000210247_100000210303 [0,1,1,0,0,0|0,0,2]=4 662 B6R0.6 C#CCOCCC 34a_100000210258_100000184674 [0,1,1,0,0,0|0,0,2]=4 663 B6R0.6 C#CCSCCC 62a_100000038162_100000210303 [0,1,1,0,0,0|0,0,2]=4 664 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [0,1,1,0,0,0|0,0,2]=4 665 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [0,1,1,0,0,0|0,0,2]=4 666 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [0,1,1,0,0,0|0,0,2]=4 667 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [0,1,1,0,0,0|0,0,2]=4 668 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [0,1,1,0,0,0|0,0,2]=4 669 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [0,1,1,0,0,0|0,0,2]=4 670 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [0,1,1,0,0,0|0,0,2]=4 671 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [0,1,1,0,0,0|0,0,2]=4 672 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [0,1,1,0,0,0|0,0,2]=4 673 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [0,1,1,0,0,0|0,0,2]=4 674 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [0,1,1,0,0,0|0,0,2]=4 675 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [0,1,1,0,0,0|0,0,2]=4 676 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [0,1,1,0,0,0|0,0,2]=4 677 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [0,1,1,0,0,0|0,0,2]=4 678 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [0,1,1,0,0,0|0,0,2]=4 679 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [0,1,1,0,0,0|0,0,2]=4 680 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [0,1,1,0,0,0|0,0,2]=4 681 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [0,1,1,0,0,0|0,0,2]=4 682 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [0,1,1,0,0,0|0,0,2]=4 683 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [0,1,1,0,0,0|0,0,2]=4 684 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [0,1,1,0,0,0|0,0,2]=4 685 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [0,1,1,0,0,0|0,0,2]=4 686 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [0,1,1,0,0,0|0,0,2]=4 687 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [0,1,1,0,0,0|0,0,2]=4 688 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [0,1,1,0,0,0|0,0,2]=4 689 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [0,1,1,0,0,0|0,0,2]=4 690 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [0,1,1,0,0,0|0,0,2]=4 691 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [0,1,1,0,0,0|0,0,2]=4 692 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [0,1,1,0,0,0|0,0,2]=4 693 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [0,1,1,0,0,0|0,0,2]=4 694 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [0,1,1,0,0,0|0,0,2]=4 695 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [0,1,1,0,0,0|0,0,2]=4 696 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [0,1,1,0,0,0|0,0,2]=4 697 B6R0.6 CC#CCCOC 34a_100000750427_200000210301 [0,1,1,0,0,0|0,0,2]=4 698 B6R0.6 CC#CCCO[13CH3] 34a_100000750427_200025704644 [0,1,1,0,0,0|0,0,2]=4 699 B6R0.6 CC#CCNCC 2230a_100000685387_100000210202 [0,1,1,0,0,0|0,0,2]=4 700 B6R0.6 CC#CCNCC 2230a_100015525214_100000748600 [0,1,1,0,0,0|0,0,2]=4 701 B6R0.6 CC#CCNCC 34a_100000685387_100000210202 [0,1,1,0,0,0|0,0,2]=4 702 B6R0.6 CC#CCOCC 34a_100000761923_100000210202 [0,1,1,0,0,0|0,0,2]=4 703 B6R0.6 CC#CCOCC 34a_100121572206_100000748600 [0,1,1,0,0,0|0,0,2]=4 704 B6R0.6 CC#CCSCC 62a_100000210202_100000748600 [0,1,1,0,0,0|0,0,2]=4 705 B6R0.6 CC#CCSCC 62a_100000748600_100000210202 [0,1,1,0,0,0|0,0,2]=4 706 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [0,1,1,0,0,0|0,0,2]=4 707 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [0,1,1,0,0,0|0,0,2]=4 708 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [0,1,1,0,0,0|0,0,2]=4 709 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [0,1,1,0,0,0|0,0,2]=4 710 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [0,1,1,0,0,0|0,0,2]=4 711 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [0,1,1,0,0,0|0,0,2]=4 712 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [0,1,1,0,0,0|0,0,2]=4 713 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [0,1,1,0,0,0|0,0,2]=4 714 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [0,1,1,0,0,0|0,0,2]=4 715 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [0,1,1,0,0,0|0,0,2]=4 716 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [0,1,1,0,0,0|0,0,2]=4 717 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [0,1,1,0,0,0|0,0,2]=4 718 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [0,1,1,0,0,0|0,0,2]=4 719 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [0,1,1,0,0,0|0,0,2]=4 720 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [0,1,1,0,0,0|1,0,1]=4 721 B6R0.6 CCC#CCNC 2230a_106832991635_100009813939 [0,1,1,0,0,0|0,0,2]=4 722 B6R0.6 CCC#CCNC 34a_100102657272_100009813939 [0,1,1,0,0,0|0,0,2]=4 723 B6R0.6 CCC#CCNC 7a_106832991635_100009813939 [0,1,1,0,0,0|0,0,2]=4 724 B6R0.6 CCC#CCOC 34a_100000032950_200000210301 [0,1,1,0,0,0|0,0,2]=4 725 B6R0.6 CCC#CCOC 34a_100138415774_100009813939 [0,1,1,0,0,0|0,0,2]=4 726 B6R0.6 CCC#CCO[13CH3] 34a_100000032950_200025704644 [0,1,1,0,0,0|0,0,2]=4 727 B6R0.6 CCC#CCSC 62a_100009813939_200000210301 [0,1,1,0,0,0|0,0,2]=4 728 B6R0.6 CCC#CCSC 62a_200000210301_100009813939 [0,1,1,0,0,0|0,0,2]=4 729 B6R0.6 CCC#CCS[13CH3] 62a_100009813939_200025704644 [0,1,1,0,0,0|0,0,2]=4 730 B6R0.6 CCC#CCS[13CH3] 62a_200025704644_100009813939 [0,1,1,0,0,0|0,0,2]=4 731 B6R0.6 CCC=NNCC 4a_100000756455_100000210100 [0,1,1,0,0,0|1,0,1]=4 732 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [0,1,1,0,0,0|0,0,0]=2 733 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [0,1,1,0,0,0|0,0,0]=2 734 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [0,1,1,0,0,0|0,0,0]=2 735 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [0,1,1,0,0,0|0,0,0]=2 736 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [0,1,1,0,0,0|0,0,0]=2 737 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [0,1,1,0,0,0|0,0,0]=2 738 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [0,1,1,0,0,0|0,0,0]=2 739 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [0,1,1,0,0,0|0,0,0]=2 740 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [0,1,1,0,0,0|0,0,0]=2 741 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [0,1,1,0,0,0|0,0,0]=2 742 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [0,1,1,0,0,0|0,0,0]=2 743 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [0,1,1,0,0,0|0,0,0]=2 744 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [0,1,1,0,0,0|0,0,0]=2 745 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [0,1,1,0,0,0|0,0,0]=2 746 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [0,1,1,0,0,0|0,0,0]=2 747 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [0,1,1,0,0,0|0,0,0]=2 748 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [0,1,1,0,0,0|0,0,0]=2 749 B6R0.6 CCCCNCF 7a_106832991798_100015361967 [0,1,1,0,0,0|1,0,0]=3 750 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [0,1,1,0,0,0|0,0,0]=2 751 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [0,1,1,0,0,0|0,0,0]=2 752 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [0,1,1,0,0,0|0,0,0]=2 753 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [0,1,1,0,0,0|1,0,0]=3 754 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [0,1,1,0,0,0|1,0,0]=3 755 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [0,1,1,0,0,0|0,0,0]=2 756 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [0,1,1,0,0,0|0,0,0]=2 757 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [0,1,1,0,0,0|1,0,0]=3 758 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [0,1,1,0,0,0|1,0,0]=3 759 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [0,1,1,0,0,0|1,0,0]=3 760 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [0,1,1,0,0,0|1,0,0]=3 761 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [0,1,1,0,0,0|1,0,0]=3 762 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [0,1,1,0,0,0|1,0,1]=4 763 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [0,1,1,0,0,0|1,0,0]=3 764 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [0,1,1,0,0,0|0,0,0]=2 765 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [0,1,1,0,0,0|1,0,0]=3 766 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [0,1,1,0,0,0|1,0,0]=3 767 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [0,1,1,0,0,0|1,0,0]=3 768 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [0,1,1,0,0,0|1,0,0]=3 769 B6R0.6 CCCSCC#N 62a_100000210303_100011215382 [0,1,1,0,0,0|1,0,1]=4 770 B6R0.6 CCCSCC#N 62a_100011215382_100000210303 [0,1,1,0,0,0|1,0,1]=4 771 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [0,1,1,0,0,0|1,0,1]=4 772 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [0,1,1,0,0,0|1,0,1]=4 773 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [0,1,1,0,0,0|0,0,0]=2 774 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [0,1,1,0,0,0|1,0,0]=3 775 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [0,1,1,0,0,0|1,0,0]=3 776 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [0,1,1,0,0,0|1,0,0]=3 777 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [0,1,1,0,0,0|1,0,0]=3 778 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [0,1,1,0,0,0|1,0,0]=3 779 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [0,1,1,0,0,0|1,0,0]=3 780 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [0,1,1,0,0,0|1,0,0]=3 781 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [0,1,1,0,0,0|1,0,0]=3 782 B6R0.6 CCNCCC#N 2230a_100015525214_100011215226 [0,1,1,0,0,0|1,0,1]=4 783 B6R0.6 CCNCCCF 2230a_100015189416_100000210202 [0,1,1,0,0,0|1,0,0]=3 784 B6R0.6 CCNCCCF 2230a_100015525214_100011934791 [0,1,1,0,0,0|1,0,0]=3 785 B6R0.6 CCNCCCF 34a_100015189416_100000210202 [0,1,1,0,0,0|1,0,0]=3 786 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [0,1,1,0,0,0|1,0,0]=3 787 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [0,1,1,0,0,0|1,0,0]=3 788 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [0,1,1,0,0,0|1,0,0]=3 789 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [0,1,1,0,0,0|1,0,0]=3 790 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [0,1,1,0,0,0|1,0,0]=3 791 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [0,1,1,0,0,0|1,0,0]=3 792 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [0,1,1,0,0,0|1,0,0]=3 793 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [0,1,1,0,0,0|1,0,0]=3 794 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [0,1,1,0,0,0|1,0,0]=3 795 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [0,1,1,0,0,0|1,0,0]=3 796 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [0,1,1,0,0,0|1,0,0]=3 797 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [0,1,1,0,0,0|1,0,0]=3 798 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [0,1,1,0,0,0|1,0,0]=3 799 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [0,1,1,0,0,0|1,0,0]=3 800 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [0,1,1,0,0,0|1,0,0]=3 801 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [0,1,1,0,0,0|1,0,0]=3 802 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [0,1,1,0,0,0|1,0,0]=3 803 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [0,1,1,0,0,0|1,0,0]=3 804 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [0,1,1,0,0,0|1,0,0]=3 805 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [0,1,1,0,0,0|1,0,0]=3 806 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [0,1,1,0,0,0|1,0,0]=3 807 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [0,1,1,0,0,0|1,0,0]=3 808 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [0,1,1,0,0,0|1,0,0]=3 809 B6R0.6 CCOCCON 34a_100000700252_100000210202 [0,1,1,0,0,0|2,0,0]=4 810 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [0,1,1,0,0,0|1,0,0]=3 811 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [0,1,1,0,0,0|1,0,0]=3 812 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [0,1,1,0,0,0|1,0,0]=3 813 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [0,1,1,0,0,0|1,0,0]=3 814 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [0,1,1,0,0,0|1,0,0]=3 815 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [0,1,1,0,0,0|1,0,0]=3 816 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [0,1,1,0,0,0|1,0,0]=3 817 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [0,1,1,0,0,0|1,0,0]=3 818 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [0,1,1,0,0,0|1,0,0]=3 819 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [0,1,1,0,0,0|1,0,0]=3 820 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [0,1,1,0,0,0|1,0,0]=3 821 B6R0.6 CCOCSCF 62a_100000739092_100015361967 [0,1,1,0,0,0|2,0,0]=4 822 B6R0.6 CCOCSCF 62a_100015361967_100000739092 [0,1,1,0,0,0|2,0,0]=4 823 B6R0.6 CCSCCC#N 62a_100000210202_100011215226 [0,1,1,0,0,0|1,0,1]=4 824 B6R0.6 CCSCCC#N 62a_100011215226_100000210202 [0,1,1,0,0,0|1,0,1]=4 825 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [0,1,1,0,0,0|1,0,0]=3 826 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [0,1,1,0,0,0|1,0,0]=3 827 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [0,1,1,0,0,0|1,0,0]=3 828 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [0,1,1,0,0,0|1,0,0]=3 829 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [0,1,1,0,0,0|1,0,0]=3 830 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [0,1,1,0,0,0|1,0,0]=3 831 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [0,1,1,0,0,0|1,0,0]=3 832 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [0,1,1,0,0,0|1,0,0]=3 833 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [0,1,1,0,0,0|1,0,0]=3 834 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [0,1,1,0,0,0|1,0,0]=3 835 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [0,1,1,0,0,0|1,0,0]=3 836 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [0,1,1,0,0,0|1,0,0]=3 837 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [0,1,1,0,0,0|1,0,0]=3 838 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [0,1,1,0,0,0|1,0,0]=3 839 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [0,1,1,0,0,0|1,0,0]=3 840 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [0,1,1,0,0,0|1,0,0]=3 841 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [0,1,1,0,0,0|1,0,0]=3 842 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [0,1,1,0,0,0|1,0,0]=3 843 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [0,1,1,0,0,0|1,0,0]=3 844 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [0,1,1,0,0,0|1,0,0]=3 845 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [0,1,1,0,0,0|1,0,0]=3 846 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [0,1,1,0,0,0|1,0,0]=3 847 B6R0.6 CNCCCC#N 2230a_106832991635_100000687738 [0,1,1,0,0,0|1,0,1]=4 848 B6R0.6 CNCCCC#N 7a_106832991635_100000687738 [0,1,1,0,0,0|1,0,1]=4 849 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [0,1,1,0,0,0|1,0,1]=4 850 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [0,1,1,0,0,0|1,0,1]=4 851 B6R0.6 CNCCCCF 2230a_106832991635_100000729493 [0,1,1,0,0,0|1,0,0]=3 852 B6R0.6 CNCCCCF 34a_100102657272_100000729493 [0,1,1,0,0,0|1,0,0]=3 853 B6R0.6 CNCCCCF 7a_106832991635_100000729493 [0,1,1,0,0,0|1,0,0]=3 854 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [0,1,1,0,0,0|1,0,0]=3 855 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [0,1,1,0,0,0|1,0,0]=3 856 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [0,1,1,0,0,0|1,0,0]=3 857 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [0,1,1,0,0,0|1,0,0]=3 858 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [0,1,1,0,0,0|1,0,0]=3 859 B6R0.6 CNCCCOC 2230a_106832991635_100000740836 [0,1,1,0,0,0|1,0,0]=3 860 B6R0.6 CNCCCOC 34a_100000213112_200000210301 [0,1,1,0,0,0|1,0,0]=3 861 B6R0.6 CNCCCOC 34a_100102657272_100000740836 [0,1,1,0,0,0|1,0,0]=3 862 B6R0.6 CNCCCOC 34a_100150723488_200000210301 [0,1,1,0,0,0|1,0,0]=3 863 B6R0.6 CNCCCOC 7a_106832991635_100000740836 [0,1,1,0,0,0|1,0,0]=3 864 B6R0.6 CNCCCO[13CH3] 34a_100000213112_200025704644 [0,1,1,0,0,0|1,0,0]=3 865 B6R0.6 CNCCCSC 2230a_100000749238_200000210301 [0,1,1,0,0,0|1,0,0]=3 866 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [0,1,1,0,0,0|1,0,0]=3 867 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [0,1,1,0,0,0|1,0,0]=3 868 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [0,1,1,0,0,0|1,0,0]=3 869 B6R0.6 COCCCCF 34a_100011995726_200000210301 [0,1,1,0,0,0|1,0,0]=3 870 B6R0.6 COCCCCF 34a_100138415774_100000729493 [0,1,1,0,0,0|1,0,0]=3 871 B6R0.6 COCCCCF 7a_100011995726_200000210301 [0,1,1,0,0,0|1,0,0]=3 872 B6R0.6 COCCCCI 34a_200012148704_200000210301 [0,1,1,0,0,0|1,0,0]=3 873 B6R0.6 COCCCCN 34a_100000750430_200000210301 [0,1,1,0,0,0|1,0,0]=3 874 B6R0.6 COCCCCO 34a_100138415774_100011216708 [0,1,1,0,0,0|1,0,0]=3 875 B6R0.6 COCCCN[13CH3] 34a_100150723488_200025704644 [0,1,1,0,0,0|1,0,0]=3 876 B6R0.6 COCCCOC 34a_100000740835_200000210301 [0,1,1,0,0,0|1,0,0]=3 877 B6R0.6 COCCCOC 34a_100138415774_100000740836 [0,1,1,0,0,0|1,0,0]=3 878 B6R0.6 COCCCO[13CH3] 34a_100000740835_200025704644 [0,1,1,0,0,0|1,0,0]=3 879 B6R0.6 COCCCSC 34a_100000690336_200000210301 [0,1,1,0,0,0|1,0,0]=3 880 B6R0.6 COCCCSC 62a_100000709357_200000210301 [0,1,1,0,0,0|1,0,0]=3 881 B6R0.6 COCCCSC 62a_200000210301_100000709357 [0,1,1,0,0,0|1,0,0]=3 882 B6R0.6 COCCCSC 7a_100000690336_200000210301 [0,1,1,0,0,0|1,0,0]=3 883 B6R0.6 COCCCS[13CH3] 62a_100000709357_200025704644 [0,1,1,0,0,0|1,0,0]=3 884 B6R0.6 COCCCS[13CH3] 62a_200025704644_100000709357 [0,1,1,0,0,0|1,0,0]=3 885 B6R0.6 COCCOCF 34a_100000210237_100015361967 [0,1,1,0,0,0|2,0,0]=4 886 B6R0.6 COCCSCF 62a_100000233755_100015361967 [0,1,1,0,0,0|2,0,0]=4 887 B6R0.6 COCCSCF 62a_100015361967_100000233755 [0,1,1,0,0,0|2,0,0]=4 888 B6R0.6 COCNCCO 2230a_100016997473_100000766300 [0,1,1,0,0,0|2,0,0]=4 889 B6R0.6 COCSCCF 62a_100000766300_100011217306 [0,1,1,0,0,0|2,0,0]=4 890 B6R0.6 COCSCCF 62a_100011217306_100000766300 [0,1,1,0,0,0|2,0,0]=4 891 B6R0.6 COCSCCO 62a_100000211926_100000766300 [0,1,1,0,0,0|2,0,0]=4 892 B6R0.6 COCSCCO 62a_100000766300_100000211926 [0,1,1,0,0,0|2,0,0]=4 893 B6R0.6 COCSCOC 62a_100000766300_100000766300 [0,1,1,0,0,0|2,0,0]=4 894 B6R0.6 COCSCSC 62a_100000766300_100011218213 [0,1,1,0,0,0|2,0,0]=4 895 B6R0.6 COCSCSC 62a_100011218213_100000766300 [0,1,1,0,0,0|2,0,0]=4 896 B6R0.6 CSCCCC#N 62a_100000687738_200000210301 [0,1,1,0,0,0|1,0,1]=4 897 B6R0.6 CSCCCC#N 62a_200000210301_100000687738 [0,1,1,0,0,0|1,0,1]=4 898 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [0,1,1,0,0,0|1,0,1]=4 899 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [0,1,1,0,0,0|1,0,1]=4 900 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [0,1,1,0,0,0|1,0,0]=3 901 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [0,1,1,0,0,0|1,0,0]=3 902 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [0,1,1,0,0,0|1,0,0]=3 903 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [0,1,1,0,0,0|1,0,0]=3 904 B6R0.6 CSCCCN[13CH3] 2230a_100000749238_200025704644 [0,1,1,0,0,0|1,0,0]=3 905 B6R0.6 CSCCCO[13CH3] 34a_100000690336_200025704644 [0,1,1,0,0,0|1,0,0]=3 906 B6R0.6 CSCCCO[13CH3] 7a_100000690336_200025704644 [0,1,1,0,0,0|1,0,0]=3 907 B6R0.6 CSCCOCF 34a_100000230434_100015361967 [0,1,1,0,0,0|2,0,0]=4 908 B6R0.6 CSCCOCF 7a_100000230434_100015361967 [0,1,1,0,0,0|2,0,0]=4 909 B6R0.6 CSCCSCF 62a_100000212216_100015361967 [0,1,1,0,0,0|2,0,0]=4 910 B6R0.6 CSCCSCF 62a_100015361967_100000751147 [0,1,1,0,0,0|2,0,0]=4 911 B6R0.6 CSCNCCF 34a_100000724931_100011218213 [0,1,1,0,0,0|2,0,0]=4 912 B6R0.6 CSCNCCO 2230a_100016997473_100011218213 [0,1,1,0,0,0|2,0,0]=4 913 B6R0.6 CSCNCCO 34a_100016990907_100011218213 [0,1,1,0,0,0|2,0,0]=4 914 B6R0.6 CSCOCCBr 34a_100000211926_100011218213 [0,1,1,0,0,0|2,0,0]=4 915 B6R0.6 CSCOCCN 34a_100000210304_100011218213 [0,1,1,0,0,0|2,0,0]=4 916 B6R0.6 CSCSCCF 62a_100011217306_100011218213 [0,1,1,0,0,0|2,0,0]=4 917 B6R0.6 CSCSCCF 62a_100011218213_100011217306 [0,1,1,0,0,0|2,0,0]=4 918 B6R0.6 CSCSCCO 62a_100000211926_100011218213 [0,1,1,0,0,0|2,0,0]=4 919 B6R0.6 CSCSCCO 62a_100011218213_100000211926 [0,1,1,0,0,0|2,0,0]=4 920 B6R0.6 CSCSCSC 62a_100011218213_100011218213 [0,1,1,0,0,0|2,0,0]=4 921 B6R0.6 FCCCNCF 34a_100015189416_100015361967 [0,1,1,0,0,0|2,0,0]=4 922 B6R0.6 FCCCOCF 34a_100000759539_100015361967 [0,1,1,0,0,0|2,0,0]=4 923 B6R0.6 FCCCSCF 62a_100011934791_100015361967 [0,1,1,0,0,0|2,0,0]=4 924 B6R0.6 FCCCSCF 62a_100015361967_100011934791 [0,1,1,0,0,0|2,0,0]=4 925 B6R0.6 FCCNCCF 34a_100000724931_100011217306 [0,1,1,0,0,0|2,0,0]=4 926 B6R0.6 FCCOCCBr 34a_100000211926_100011217306 [0,1,1,0,0,0|2,0,0]=4 927 B6R0.6 FCCSCCF 62a_100011217306_100011217306 [0,1,1,0,0,0|2,0,0]=4 928 B6R0.6 FCOCCCBr 34a_100011217188_100015361967 [0,1,1,0,0,0|2,0,0]=4 929 B6R0.6 FCOCCCCl 34a_100000230001_100015361967 [0,1,1,0,0,0|2,0,0]=4 930 B6R0.6 NCCCOCF 34a_100000182051_100015361967 [0,1,1,0,0,0|2,0,0]=4 931 B6R0.6 NCCOCCF 34a_100000210304_100011217306 [0,1,1,0,0,0|2,0,0]=4 932 B6R0.6 NCCOCCO 34a_100000210304_100000211926 [0,1,1,0,0,0|2,0,0]=4 933 B6R0.6 OCCCSCF 62a_100011215043_100015361967 [0,1,1,0,0,0|2,0,0]=4 934 B6R0.6 OCCCSCF 62a_100015361967_100011215043 [0,1,1,0,0,0|2,0,0]=4 935 B6R0.6 OCCNCCF 2230a_100016997473_100011217306 [0,1,1,0,0,0|2,0,0]=4 936 B6R0.6 OCCNCCF 34a_100000724931_100000211926 [0,1,1,0,0,0|2,0,0]=4 937 B6R0.6 OCCNCCF 34a_100016990907_100011217306 [0,1,1,0,0,0|2,0,0]=4 938 B6R0.6 OCCNCCO 2230a_100016997473_100000211926 [0,1,1,0,0,0|2,0,0]=4 939 B6R0.6 OCCNCCO 34a_100016990907_100000211926 [0,1,1,0,0,0|2,0,0]=4 940 B6R0.6 OCCOCCBr 34a_100000211926_100000211926 [0,1,1,0,0,0|2,0,0]=4 941 B6R0.6 OCCSCCF 62a_100000211926_100011217306 [0,1,1,0,0,0|2,0,0]=4 942 B6R0.6 OCCSCCF 62a_100011217306_100000211926 [0,1,1,0,0,0|2,0,0]=4 943 B6R0.6 OCCSCCO 62a_100000211926_100000211926 [0,1,1,0,0,0|2,0,0]=4 944 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [0,1,1,0,0,0|1,0,0]=3 945 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [0,1,1,0,0,0|1,0,0]=3 946 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [0,1,1,0,0,0|1,0,0]=3 947 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [0,1,1,0,0,0|1,0,0]=3 948 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [0,1,1,0,0,0|1,0,0]=3 949 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [0,1,1,0,0,0|1,0,0]=3 950 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [0,1,1,0,0,0|1,0,0]=3 951 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [0,1,1,0,0,0|1,0,0]=3 952 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [0,1,1,0,0,0|1,0,0]=3 953 B6R0.6 [13CH3]SCCCC#N 62a_100000687738_200025704644 [0,1,1,0,0,0|1,0,1]=4 954 B6R0.6 [13CH3]SCCCC#N 62a_200025704644_100000687738 [0,1,1,0,0,0|1,0,1]=4 955 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [0,1,1,0,0,0|1,0,1]=4 956 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [0,1,1,0,0,0|1,0,1]=4 957 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [0,1,1,0,0,0|1,0,0]=3 958 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [0,1,1,0,0,0|1,0,0]=3 959 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [0,1,1,0,0,0|1,0,0]=3 960 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [0,1,1,0,0,0|1,0,0]=3 961 B6R1.2 CN1CCCC1 2230a_100000188435_200000210301 [0,1,0,0,1,0|1,0,0]=3 962 B6R1.2 CN1CCCC1 269982a_100000188435_200000210301 [0,1,0,0,1,0|1,0,0]=3 963 B6R1.2 CN1CCSC1 2230a_100011215254_200000210301 [0,1,0,0,1,0|2,0,0]=4 964 B6R1.2 CN1CCSC1 269982a_100011215254_200000210301 [0,1,0,0,1,0|2,0,0]=4 965 B6R1.2 [13CH3]N1CCCC1 2230a_100000188435_200025704644 [0,1,0,0,1,0|1,0,0]=3 966 B6R1.2 [13CH3]N1CCCC1 269982a_100000188435_200025704644 [0,1,0,0,1,0|1,0,0]=3 967 B6R1.2 [13CH3]N1CCSC1 2230a_100011215254_200025704644 [0,1,0,0,1,0|2,0,0]=4 968 B6R1.2 [13CH3]N1CCSC1 269982a_100011215254_200025704644 [0,1,0,0,1,0|2,0,0]=4 969 B8R1.22 CN1CCCCCC1 2230a_100000185865_200000210301 [0,1,0,0,0,1|0,0,0]=2 970 B8R1.22 CN1CCCCCC1 269982a_100000185865_200000210301 [0,1,0,0,0,1|0,0,0]=2 971 B8R1.22 CN1CCCCCC1 34a_100000185865_200000210301 [0,1,0,0,0,1|0,0,0]=2 972 B8R1.22 CN1CCCOCC1 2230a_100000685342_200000210301 [0,1,0,0,0,1|1,0,0]=3 973 B8R1.22 CN1CCCOCC1 269982a_100000685342_200000210301 [0,1,0,0,0,1|1,0,0]=3 974 B8R1.22 CN1CCCOCC1 34a_100000685342_200000210301 [0,1,0,0,0,1|1,0,0]=3 975 B8R1.22 [13CH3]N1CCCCCC1 2230a_100000185865_200025704644 [0,1,0,0,0,1|0,0,0]=2 976 B8R1.22 [13CH3]N1CCCCCC1 269982a_100000185865_200025704644 [0,1,0,0,0,1|0,0,0]=2 977 B8R1.22 [13CH3]N1CCCCCC1 34a_100000185865_200025704644 [0,1,0,0,0,1|0,0,0]=2 978 B8R1.22 [13CH3]N1CCCOCC1 2230a_100000685342_200025704644 [0,1,0,0,0,1|1,0,0]=3 979 B8R1.22 [13CH3]N1CCCOCC1 269982a_100000685342_200025704644 [0,1,0,0,0,1|1,0,0]=3 980 B8R1.22 [13CH3]N1CCCOCC1 34a_100000685342_200025704644 [0,1,0,0,0,1|1,0,0]=3 981 B8R1.2 CCN1CCCOC1 2230a_100000131196_100000210202 [0,2,0,0,0,0|2,0,0]=4 982 B8R1.2 CCN1CCCOC1 269982a_100000131196_100000204670 [0,2,0,0,0,0|2,0,0]=4 983 B8R1.2 CCN1CCCOC1 34a_100000131196_100000210202 [0,2,0,0,0,0|2,0,0]=4 984 B8R1.2 CCN1CCOCC1 2230a_100015191051_100000210202 [0,2,0,0,0,0|2,0,0]=4 985 B8R1.2 CCN1CCOCC1 269982a_100015191051_100000204670 [0,2,0,0,0,0|2,0,0]=4 986 B8R1.2 CCN1CCOCC1 34a_100015191051_100000210202 [0,2,0,0,0,0|2,0,0]=4 987 B8R1.2 CCN1CCSCC1 2230a_100000737611_100000210202 [0,2,0,0,0,0|2,0,0]=4 988 B8R1.2 CCN1CCSCC1 269982a_100000737611_100000204670 [0,2,0,0,0,0|2,0,0]=4 989 B8R1.2 CNC1C=CCCC1 2230a_106832991635_100000751183 [0,2,0,0,0,0|0,0,2]=4 990 B8R1.2 CNC1C=CCCC1 7a_106832991635_100000751183 [0,2,0,0,0,0|0,0,2]=4 991 B8R1.2 CNC1CCCCC1 2230a_100000182618_200000210301 [0,2,0,0,0,0|0,0,0]=2 992 B8R1.2 CNC1CCCCC1 270004a_106832991635_100000210434 [0,2,0,0,0,0|0,0,0]=2 993 B8R1.2 CNC1CCCCC1 34a_100000182618_200000210301 [0,2,0,0,0,0|0,0,0]=2 994 B8R1.2 CNC1CCCCC1 34a_100102657272_100000210327 [0,2,0,0,0,0|0,0,0]=2 995 B8R1.2 CNC1CCCCC1 7a_106832991635_100000210327 [0,2,0,0,0,0|0,0,0]=2 996 B8R1.2 CNC1CCCOC1 2230a_100000719290_200000210301 [0,2,0,0,0,0|1,0,0]=3 997 B8R1.2 CNC1CCCOC1 270004a_106832991635_100000753404 [0,2,0,0,0,0|1,0,0]=3 998 B8R1.2 CNC1CCCOC1 34a_100000719290_200000210301 [0,2,0,0,0,0|1,0,0]=3 999 B8R1.2 CNC1CCCOC1 34a_100102657272_100000693364 [0,2,0,0,0,0|1,0,0]=3 1000 B8R1.2 CNC1CCCOC1 7a_106832991635_100000693364 [0,2,0,0,0,0|1,0,0]=3 1001 B8R1.2 CNC1CCCSC1 270004a_106832991635_100000057913 [0,2,0,0,0,0|1,0,0]=3 1002 B8R1.2 CNC1CCNCC1 270004a_106832991635_100015192401 [0,2,0,0,0,0|1,0,0]=3 1003 B8R1.2 CNC1CCOCC1 2230a_100000741149_200000210301 [0,2,0,0,0,0|1,0,0]=3 1004 B8R1.2 CNC1CCOCC1 270004a_106832991635_100011217826 [0,2,0,0,0,0|1,0,0]=3 1005 B8R1.2 CNC1CCOCC1 34a_100000741149_200000210301 [0,2,0,0,0,0|1,0,0]=3 1006 B8R1.2 CNC1CCOCC1 7a_106832991635_100000686592 [0,2,0,0,0,0|1,0,0]=3 1007 B8R1.2 CNC1CCSCC1 2230a_100000748639_200000210301 [0,2,0,0,0,0|1,0,0]=3 1008 B8R1.2 CNC1CCSCC1 270004a_106832991635_100000203788 [0,2,0,0,0,0|1,0,0]=3 1009 B8R1.2 CNC1CCSCC1 34a_100000748639_200000210301 [0,2,0,0,0,0|1,0,0]=3 1010 B8R1.2 CNC1CCSCC1 34a_100102657272_100000069128 [0,2,0,0,0,0|1,0,0]=3 1011 B8R1.2 CNC1CCSCC1 7a_106832991635_100011500858 [0,2,0,0,0,0|1,0,0]=3 1012 B8R1.2 COC1C=CCCC1 34a_100011215024_200000210301 [0,2,0,0,0,0|0,0,2]=4 1013 B8R1.2 COC1CC=CCC1 34a_100000073881_200000210301 [0,2,0,0,0,0|0,0,2]=4 1014 B8R1.2 COC1CCCCC1 34a_100000210231_200000210301 [0,2,0,0,0,0|0,0,0]=2 1015 B8R1.2 COC1CCCCC1 34a_100138415774_100000210327 [0,2,0,0,0,0|0,0,0]=2 1016 B8R1.2 COC1CCCCC1 7a_100000210231_200000210301 [0,2,0,0,0,0|0,0,0]=2 1017 B8R1.2 COC1CCCCO1 34a_100000033831_200000210301 [0,2,0,0,0,0|1,0,0]=3 1018 B8R1.2 COC1CCCOC1 34a_100000754041_200000210301 [0,2,0,0,0,0|1,0,0]=3 1019 B8R1.2 COC1CCCOC1 34a_100138415774_100000693364 [0,2,0,0,0,0|1,0,0]=3 1020 B8R1.2 COC1CCCSC1 7a_100015962668_200000210301 [0,2,0,0,0,0|1,0,0]=3 1021 B8R1.2 COC1CCOCC1 34a_100000744328_200000210301 [0,2,0,0,0,0|1,0,0]=3 1022 B8R1.2 COC1CCSCC1 34a_100000731022_200000210301 [0,2,0,0,0,0|1,0,0]=3 1023 B8R1.2 COC1CCSCC1 34a_100138415774_100000069128 [0,2,0,0,0,0|1,0,0]=3 1024 B8R1.2 COC1CCSCC1 7a_100000731022_200000210301 [0,2,0,0,0,0|1,0,0]=3 1025 B8R1.2 CSC1C=CCCC1 62a_100000751183_200000210301 [0,2,0,0,0,0|0,0,2]=4 1026 B8R1.2 CSC1C=CCCC1 62a_200000210301_100000751183 [0,2,0,0,0,0|0,0,2]=4 1027 B8R1.2 CSC1CCCCC1 62a_100000210327_200000210301 [0,2,0,0,0,0|0,0,0]=2 1028 B8R1.2 CSC1CCCCC1 62a_200000210301_100000210327 [0,2,0,0,0,0|0,0,0]=2 1029 B8R1.2 CSC1CCCOC1 62a_200000210301_100000693364 [0,2,0,0,0,0|1,0,0]=3 1030 B8R1.2 CSC1CCOCC1 62a_200000210301_100011324220 [0,2,0,0,0,0|1,0,0]=3 1031 B8R1.2 CSC1CCSCC1 62a_200000210301_100000069128 [0,2,0,0,0,0|1,0,0]=3 1032 B8R1.2 FCN1CCCOC1 269982a_100000131196_100015361967 [0,2,0,0,0,0|2,0,0]=4 1033 B8R1.2 FCN1CCCOC1 34a_100000131196_100015361967 [0,2,0,0,0,0|2,0,0]=4 1034 B8R1.2 FCN1CCOCC1 269982a_100015191051_100015361967 [0,2,0,0,0,0|2,0,0]=4 1035 B8R1.2 FCN1CCOCC1 34a_100015191051_100015361967 [0,2,0,0,0,0|2,0,0]=4 1036 B8R1.2 FCN1CCSCC1 269982a_100000737611_100015361967 [0,2,0,0,0,0|2,0,0]=4 1037 B8R1.2 [13CH3]NC1CCCCC1 2230a_100000182618_200025704644 [0,2,0,0,0,0|0,0,0]=2 1038 B8R1.2 [13CH3]NC1CCCCC1 34a_100000182618_200025704644 [0,2,0,0,0,0|0,0,0]=2 1039 B8R1.2 [13CH3]NC1CCCOC1 2230a_100000719290_200025704644 [0,2,0,0,0,0|1,0,0]=3 1040 B8R1.2 [13CH3]NC1CCCOC1 34a_100000719290_200025704644 [0,2,0,0,0,0|1,0,0]=3 1041 B8R1.2 [13CH3]NC1CCOCC1 2230a_100000741149_200025704644 [0,2,0,0,0,0|1,0,0]=3 1042 B8R1.2 [13CH3]NC1CCOCC1 34a_100000741149_200025704644 [0,2,0,0,0,0|1,0,0]=3 1043 B8R1.2 [13CH3]NC1CCSCC1 2230a_100000748639_200025704644 [0,2,0,0,0,0|1,0,0]=3 1044 B8R1.2 [13CH3]NC1CCSCC1 34a_100000748639_200025704644 [0,2,0,0,0,0|1,0,0]=3 1045 B8R1.2 [13CH3]OC1C=CCCC1 34a_100011215024_200025704644 [0,2,0,0,0,0|0,0,2]=4 1046 B8R1.2 [13CH3]OC1CC=CCC1 34a_100000073881_200025704644 [0,2,0,0,0,0|0,0,2]=4 1047 B8R1.2 [13CH3]OC1CCCCC1 34a_100000210231_200025704644 [0,2,0,0,0,0|0,0,0]=2 1048 B8R1.2 [13CH3]OC1CCCCC1 7a_100000210231_200025704644 [0,2,0,0,0,0|0,0,0]=2 1049 B8R1.2 [13CH3]OC1CCCCO1 34a_100000033831_200025704644 [0,2,0,0,0,0|1,0,0]=3 1050 B8R1.2 [13CH3]OC1CCCOC1 34a_100000754041_200025704644 [0,2,0,0,0,0|1,0,0]=3 1051 B8R1.2 [13CH3]OC1CCCSC1 7a_100015962668_200025704644 [0,2,0,0,0,0|1,0,0]=3 1052 B8R1.2 [13CH3]OC1CCOCC1 34a_100000744328_200025704644 [0,2,0,0,0,0|1,0,0]=3 1053 B8R1.2 [13CH3]OC1CCSCC1 34a_100000731022_200025704644 [0,2,0,0,0,0|1,0,0]=3 1054 B8R1.2 [13CH3]OC1CCSCC1 7a_100000731022_200025704644 [0,2,0,0,0,0|1,0,0]=3 1055 B8R1.2 [13CH3]SC1C=CCCC1 62a_100000751183_200025704644 [0,2,0,0,0,0|0,0,2]=4 1056 B8R1.2 [13CH3]SC1C=CCCC1 62a_200025704644_100000751183 [0,2,0,0,0,0|0,0,2]=4 1057 B8R1.2 [13CH3]SC1CCCCC1 62a_100000210327_200025704644 [0,2,0,0,0,0|0,0,0]=2 1058 B8R1.2 [13CH3]SC1CCCCC1 62a_200025704644_100000210327 [0,2,0,0,0,0|0,0,0]=2 1059 B8R1.2 [13CH3]SC1CCCOC1 62a_200025704644_100000693364 [0,2,0,0,0,0|1,0,0]=3 1060 B8R1.2 [13CH3]SC1CCOCC1 62a_200025704644_100011324220 [0,2,0,0,0,0|1,0,0]=3 1061 B8R1.2 [13CH3]SC1CCSCC1 62a_200025704644_100000069128 [0,2,0,0,0,0|1,0,0]=3 1062 B8R1.3 C=C1CCN(CC1)C 2230a_100000752442_200000210301 [0,2,0,0,0,0|1,0,1]=4 1063 B8R1.3 C=C1CCN(CC1)C 269982a_100000752442_200000210301 [0,2,0,0,0,0|1,0,1]=4 1064 B8R1.3 C=C1CCN(CC1)C 34a_100000752442_200000210301 [0,2,0,0,0,0|1,0,1]=4 1065 B8R1.3 C=C1CCN(CC1)[13CH3] 2230a_100000752442_200025704644 [0,2,0,0,0,0|1,0,1]=4 1066 B8R1.3 C=C1CCN(CC1)[13CH3] 269982a_100000752442_200025704644 [0,2,0,0,0,0|1,0,1]=4 1067 B8R1.3 C=C1CCN(CC1)[13CH3] 34a_100000752442_200025704644 [0,2,0,0,0,0|1,0,1]=4 1068 B8R1.3 CC1CCN(CC1)C 2230a_100000188429_200000210301 [0,2,0,0,0,0|1,0,0]=3 1069 B8R1.3 CC1CCN(CC1)C 269982a_100000188429_200000210301 [0,2,0,0,0,0|1,0,0]=3 1070 B8R1.3 CC1CCN(CC1)C 34a_100000188429_200000210301 [0,2,0,0,0,0|1,0,0]=3 1071 B8R1.3 CC1CCN(CC1)[13CH3] 2230a_100000188429_200025704644 [0,2,0,0,0,0|1,0,0]=3 1072 B8R1.3 CC1CCN(CC1)[13CH3] 269982a_100000188429_200025704644 [0,2,0,0,0,0|1,0,0]=3 1073 B8R1.3 CC1CCN(CC1)[13CH3] 34a_100000188429_200025704644 [0,2,0,0,0,0|1,0,0]=3 1074 B8R1.3 CN1CCC(CC1)F 2230a_100015193889_200000210301 [0,2,0,0,0,0|1,0,0]=3 1075 B8R1.3 CN1CCC(CC1)F 269982a_100015193889_200000210301 [0,2,0,0,0,0|1,0,0]=3 1076 B8R1.3 CN1CCC(CC1)F 34a_100015193889_200000210301 [0,2,0,0,0,0|1,0,0]=3 1077 B8R1.3 CN1CCC(CC1)O 2230a_100025773856_200000210301 [0,2,0,0,0,0|1,0,0]=3 1078 B8R1.3 CN1CCC(CC1)O 269982a_100025773856_200000210301 [0,2,0,0,0,0|1,0,0]=3 1079 B8R1.3 CN1CCN(CC1)C 2230a_100000188432_200000210301 [0,2,0,0,0,0|2,0,0]=4 1080 B8R1.3 CN1CCN(CC1)C 269982a_100000188432_200000210301 [0,2,0,0,0,0|2,0,0]=4 1081 B8R1.3 CN1CCN(CC1)[13CH3] 2230a_100000188432_200025704644 [0,2,0,0,0,0|2,0,0]=4 1082 B8R1.3 CN1CCN(CC1)[13CH3] 269982a_100000188432_200025704644 [0,2,0,0,0,0|2,0,0]=4 1083 B8R1.3 CN1CCS(=O)CC1 2230a_100000752083_200000210301 [0,2,0,0,0,0|2,0,0]=4 1084 B8R1.3 CN1CCS(=O)CC1 269982a_100000752083_200000210301 [0,2,0,0,0,0|2,0,0]=4 1085 B8R1.3 [13CH3]N1CCC(CC1)F 2230a_100015193889_200025704644 [0,2,0,0,0,0|1,0,0]=3 1086 B8R1.3 [13CH3]N1CCC(CC1)F 269982a_100015193889_200025704644 [0,2,0,0,0,0|1,0,0]=3 1087 B8R1.3 [13CH3]N1CCC(CC1)F 34a_100015193889_200025704644 [0,2,0,0,0,0|1,0,0]=3 1088 B8R1.3 [13CH3]N1CCC(CC1)O 2230a_100025773856_200025704644 [0,2,0,0,0,0|1,0,0]=3 1089 B8R1.3 [13CH3]N1CCC(CC1)O 269982a_100025773856_200025704644 [0,2,0,0,0,0|1,0,0]=3 1090 B8R1.3 [13CH3]N1CCS(=O)CC1 2230a_100000752083_200025704644 [0,2,0,0,0,0|2,0,0]=4 1091 B8R1.3 [13CH3]N1CCS(=O)CC1 269982a_100000752083_200025704644 [0,2,0,0,0,0|2,0,0]=4 1092 B8R1.4 CC1CN(CCO1)C 2230a_100000729577_200000210301 [0,2,0,0,0,0|2,0,0]=4 1093 B8R1.4 CC1CN(CCO1)C 269982a_100000729577_200000210301 [0,2,0,0,0,0|2,0,0]=4 1094 B8R1.4 CC1CN(CCO1)C 34a_100000729577_200000210301 [0,2,0,0,0,0|2,0,0]=4 1095 B8R1.4 CC1CN(CCO1)[13CH3] 2230a_100000729577_200025704644 [0,2,0,0,0,0|2,0,0]=4 1096 B8R1.4 CC1CN(CCO1)[13CH3] 269982a_100000729577_200025704644 [0,2,0,0,0,0|2,0,0]=4 1097 B8R1.4 CC1CN(CCO1)[13CH3] 34a_100000729577_200025704644 [0,2,0,0,0,0|2,0,0]=4 1098 B8R1.4 CN1CCCC(C1)F 2230a_100000697950_200000210301 [0,2,0,0,0,0|1,0,0]=3 1099 B8R1.4 CN1CCCC(C1)F 269982a_100000697950_200000210301 [0,2,0,0,0,0|1,0,0]=3 1100 B8R1.4 CN1CCCC(C1)F 34a_100000697950_200000210301 [0,2,0,0,0,0|1,0,0]=3 1101 B8R1.4 CN1CCCC(C1)O 2230a_100000211013_200000210301 [0,2,0,0,0,0|1,0,0]=3 1102 B8R1.4 CN1CCCC(C1)O 269982a_100000211013_200000210301 [0,2,0,0,0,0|1,0,0]=3 1103 B8R1.4 CN1CCOC(C1)O 2230a_100000688207_200000210301 [0,2,0,0,0,0|2,0,0]=4 1104 B8R1.4 CN1CCOC(C1)O 269982a_100000688207_200000210301 [0,2,0,0,0,0|2,0,0]=4 1105 B8R1.4 C[C@H]1CCCN(C1)C 2230a_100000717927_200000210301 [0,2,0,0,0,0|1,0,0]=3 1106 B8R1.4 C[C@H]1CCCN(C1)C 269982a_100000717927_200000210301 [0,2,0,0,0,0|1,0,0]=3 1107 B8R1.4 C[C@H]1CCCN(C1)C 34a_100000717927_200000210301 [0,2,0,0,0,0|1,0,0]=3 1108 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 2230a_100000717927_200025704644 [0,2,0,0,0,0|1,0,0]=3 1109 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 269982a_100000717927_200025704644 [0,2,0,0,0,0|1,0,0]=3 1110 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 34a_100000717927_200025704644 [0,2,0,0,0,0|1,0,0]=3 1111 B8R1.4 [13CH3]N1CCCC(C1)F 2230a_100000697950_200025704644 [0,2,0,0,0,0|1,0,0]=3 1112 B8R1.4 [13CH3]N1CCCC(C1)F 269982a_100000697950_200025704644 [0,2,0,0,0,0|1,0,0]=3 1113 B8R1.4 [13CH3]N1CCCC(C1)F 34a_100000697950_200025704644 [0,2,0,0,0,0|1,0,0]=3 1114 B8R1.4 [13CH3]N1CCCC(C1)O 2230a_100000211013_200025704644 [0,2,0,0,0,0|1,0,0]=3 1115 B8R1.4 [13CH3]N1CCCC(C1)O 269982a_100000211013_200025704644 [0,2,0,0,0,0|1,0,0]=3 1116 B8R1.4 [13CH3]N1CCOC(C1)O 2230a_100000688207_200025704644 [0,2,0,0,0,0|2,0,0]=4 1117 B8R1.4 [13CH3]N1CCOC(C1)O 269982a_100000688207_200025704644 [0,2,0,0,0,0|2,0,0]=4 1118 B8R1.5 CC1CCCCN1C 2230a_100000211376_200000210301 [0,2,0,0,0,0|1,0,0]=3 1119 B8R1.5 CC1CCCCN1C 269982a_100000211376_200000210301 [0,2,0,0,0,0|1,0,0]=3 1120 B8R1.5 CC1CCCCN1C 34a_100000211376_200000210301 [0,2,0,0,0,0|1,0,0]=3 1121 B8R1.5 CC1CCCCN1[13CH3] 2230a_100000211376_200025704644 [0,2,0,0,0,0|1,0,0]=3 1122 B8R1.5 CC1CCCCN1[13CH3] 269982a_100000211376_200025704644 [0,2,0,0,0,0|1,0,0]=3 1123 B8R1.5 CC1CCCCN1[13CH3] 34a_100000211376_200025704644 [0,2,0,0,0,0|1,0,0]=3 1124 B8R1.5 C[C@H]1COCCN1C 2230a_100009815349_200000210301 [0,2,0,0,0,0|2,0,0]=4 1125 B8R1.5 C[C@H]1COCCN1C 269982a_100009815349_200000210301 [0,2,0,0,0,0|2,0,0]=4 1126 B8R1.5 C[C@H]1COCCN1C 34a_100009815349_200000210301 [0,2,0,0,0,0|2,0,0]=4 1127 B8R1.5 C[C@H]1COCCN1[13CH3] 2230a_100009815349_200025704644 [0,2,0,0,0,0|2,0,0]=4 1128 B8R1.5 C[C@H]1COCCN1[13CH3] 269982a_100009815349_200025704644 [0,2,0,0,0,0|2,0,0]=4 1129 B8R1.5 C[C@H]1COCCN1[13CH3] 34a_100009815349_200025704644 [0,2,0,0,0,0|2,0,0]=4 1130 B6R1.3 CCNC1CC1 34a_100000212008_100000210202 [0,0,1,1,0,0|1,0,0]=3 1131 B6R1.3 CCOC1CC1 34a_100121572206_100000211595 [0,0,1,1,0,0|1,0,0]=3 1132 B6R1.3 CCSC1CC1 62a_100000210202_100000211595 [0,0,1,1,0,0|1,0,0]=3 1133 B6R1.3 CNCC1CC1 2230a_100000735609_200000210301 [0,0,1,1,0,0|1,0,0]=3 1134 B6R1.3 CNCC1CC1 2230a_106832991635_100000742324 [0,0,1,1,0,0|1,0,0]=3 1135 B6R1.3 CNCC1CC1 269862a_106832991636_100000741477 [0,0,1,1,0,0|1,0,0]=3 1136 B6R1.3 CNCC1CC1 34a_100000735609_200000210301 [0,0,1,1,0,0|1,0,0]=3 1137 B6R1.3 CNCC1CC1 34a_100102657272_100000742324 [0,0,1,1,0,0|1,0,0]=3 1138 B6R1.3 CNCC1CC1 7a_106832991635_100000742324 [0,0,1,1,0,0|1,0,0]=3 1139 B6R1.3 CNCC1CO1 2230a_106832991635_100011216344 [0,0,1,1,0,0|2,0,0]=4 1140 B6R1.3 CNCC1CO1 34a_100102657272_102125554688 [0,0,1,1,0,0|2,0,0]=4 1141 B6R1.3 CNCC1CO1 7a_106832991635_102125554688 [0,0,1,1,0,0|2,0,0]=4 1142 B6R1.3 CNCC1CS1 7a_106832991635_100000031435 [0,0,1,1,0,0|2,0,0]=4 1143 B6R1.3 CNC[C@@H]1CO1 7a_106832991635_100000745022 [0,0,1,1,0,0|2,0,0]=4 1144 B6R1.3 COCC1CC1 34a_100000211283_200000210301 [0,0,1,1,0,0|1,0,0]=3 1145 B6R1.3 COCC1CC1 34a_100138415774_100000742324 [0,0,1,1,0,0|1,0,0]=3 1146 B6R1.3 COCC1CO1 34a_100138415774_102125554688 [0,0,1,1,0,0|2,0,0]=4 1147 B6R1.3 COC[C@@H]1CO1 34a_100000757423_200000210301 [0,0,1,1,0,0|2,0,0]=4 1148 B6R1.3 CSCC1CC1 62a_100000756562_200000210301 [0,0,1,1,0,0|1,0,0]=3 1149 B6R1.3 CSCC1CC1 62a_200000210301_100000742324 [0,0,1,1,0,0|1,0,0]=3 1150 B6R1.3 CSCC1CO1 62a_102125554688_200000210301 [0,0,1,1,0,0|2,0,0]=4 1151 B6R1.3 CSCC1CO1 62a_200000210301_102125554688 [0,0,1,1,0,0|2,0,0]=4 1152 B6R1.3 CSCC1CS1 62a_100000031435_200000210301 [0,0,1,1,0,0|2,0,0]=4 1153 B6R1.3 CSCC1CS1 62a_200000210301_100000031435 [0,0,1,1,0,0|2,0,0]=4 1154 B6R1.3 CSC[C@@H]1CO1 62a_100000745022_200000210301 [0,0,1,1,0,0|2,0,0]=4 1155 B6R1.3 CSC[C@@H]1CO1 62a_200000210301_100000745022 [0,0,1,1,0,0|2,0,0]=4 1156 B6R1.3 FCNC1CC1 34a_100000212008_100015361967 [0,0,1,1,0,0|2,0,0]=4 1157 B6R1.3 FCSC1CC1 62a_100015361967_100000211595 [0,0,1,1,0,0|2,0,0]=4 1158 B6R1.3 [13CH3]NCC1CC1 2230a_100000735609_200025704644 [0,0,1,1,0,0|1,0,0]=3 1159 B6R1.3 [13CH3]NCC1CC1 34a_100000735609_200025704644 [0,0,1,1,0,0|1,0,0]=3 1160 B6R1.3 [13CH3]OCC1CC1 34a_100000211283_200025704644 [0,0,1,1,0,0|1,0,0]=3 1161 B6R1.3 [13CH3]OC[C@@H]1CO1 34a_100000757423_200025704644 [0,0,1,1,0,0|2,0,0]=4 1162 B6R1.3 [13CH3]SCC1CC1 62a_100000756562_200025704644 [0,0,1,1,0,0|1,0,0]=3 1163 B6R1.3 [13CH3]SCC1CC1 62a_200025704644_100000742324 [0,0,1,1,0,0|1,0,0]=3 1164 B6R1.3 [13CH3]SCC1CO1 62a_102125554688_200025704644 [0,0,1,1,0,0|2,0,0]=4 1165 B6R1.3 [13CH3]SCC1CO1 62a_200025704644_102125554688 [0,0,1,1,0,0|2,0,0]=4 1166 B6R1.3 [13CH3]SCC1CS1 62a_100000031435_200025704644 [0,0,1,1,0,0|2,0,0]=4 1167 B6R1.3 [13CH3]SCC1CS1 62a_200025704644_100000031435 [0,0,1,1,0,0|2,0,0]=4 1168 B6R1.3 [13CH3]SC[C@@H]1CO1 62a_100000745022_200025704644 [0,0,1,1,0,0|2,0,0]=4 1169 B6R1.3 [13CH3]SC[C@@H]1CO1 62a_200025704644_100000745022 [0,0,1,1,0,0|2,0,0]=4 1170 B6R1.4 CC1CCN1C 269982a_100000755817_200000210301 [0,0,1,1,0,0|1,0,0]=3 1171 B6R1.4 CC1CCN1C 34a_100000755817_200000210301 [0,0,1,1,0,0|1,0,0]=3 1172 B6R1.4 CC1CCN1[13CH3] 269982a_100000755817_200025704644 [0,0,1,1,0,0|1,0,0]=3 1173 B6R1.4 CC1CCN1[13CH3] 34a_100000755817_200025704644 [0,0,1,1,0,0|1,0,0]=3 1174 B6R1.6 CCN1CCC1 269982a_100000754969_100000204670 [0,0,1,1,0,0|1,0,0]=3 1175 B6R1.6 CNC1CCC1 2230a_100000749019_200000210301 [0,0,1,1,0,0|1,0,0]=3 1176 B6R1.6 CNC1CCC1 270004a_106832991635_100000241760 [0,0,1,1,0,0|1,0,0]=3 1177 B6R1.6 CNC1CCC1 34a_100000749019_200000210301 [0,0,1,1,0,0|1,0,0]=3 1178 B6R1.6 CNC1CCC1 34a_100102657272_100000749161 [0,0,1,1,0,0|1,0,0]=3 1179 B6R1.6 CNC1COC1 2230a_100016991112_200000210301 [0,0,1,1,0,0|2,0,0]=4 1180 B6R1.6 CNC1COC1 34a_100102657272_100009818527 [0,0,1,1,0,0|2,0,0]=4 1181 B6R1.6 CNC1COC1 7a_106832991635_100009818527 [0,0,1,1,0,0|2,0,0]=4 1182 B6R1.6 COC1CCC1 34a_100000748187_200000210301 [0,0,1,1,0,0|1,0,0]=3 1183 B6R1.6 COC1CCC1 34a_100138415774_100000749161 [0,0,1,1,0,0|1,0,0]=3 1184 B6R1.6 COC1COC1 34a_100138415774_100009818527 [0,0,1,1,0,0|2,0,0]=4 1185 B6R1.6 COC1CSC1 7a_100000072292_200000210301 [0,0,1,1,0,0|2,0,0]=4 1186 B6R1.6 CSC1CCC1 62a_200000210301_100000749161 [0,0,1,1,0,0|1,0,0]=3 1187 B6R1.6 CSC1COC1 62a_200000210301_100009818527 [0,0,1,1,0,0|2,0,0]=4 1188 B6R1.6 FCN1CCC1 269982a_100000754969_100015361967 [0,0,1,1,0,0|2,0,0]=4 1189 B6R1.6 [13CH3]NC1CCC1 2230a_100000749019_200025704644 [0,0,1,1,0,0|1,0,0]=3 1190 B6R1.6 [13CH3]NC1CCC1 34a_100000749019_200025704644 [0,0,1,1,0,0|1,0,0]=3 1191 B6R1.6 [13CH3]NC1COC1 2230a_100016991112_200025704644 [0,0,1,1,0,0|2,0,0]=4 1192 B6R1.6 [13CH3]OC1CCC1 34a_100000748187_200025704644 [0,0,1,1,0,0|1,0,0]=3 1193 B6R1.6 [13CH3]OC1CSC1 7a_100000072292_200025704644 [0,0,1,1,0,0|2,0,0]=4 1194 B6R1.6 [13CH3]SC1CCC1 62a_200025704644_100000749161 [0,0,1,1,0,0|1,0,0]=3 1195 B6R1.6 [13CH3]SC1COC1 62a_200025704644_100009818527 [0,0,1,1,0,0|2,0,0]=4 1196 B6R1.8 CN[C@@H]1C[C@@H]1F 2230a_100015190264_200000210301 [0,0,1,1,0,0|2,0,0]=4 1197 B6R1.8 CN[C@@H]1C[C@H]1F 2230a_100025746932_200000210301 [0,0,1,1,0,0|2,0,0]=4 1198 B6R1.8 CN[C@@H]1C[C@H]1F 34a_100025746932_200000210301 [0,0,1,1,0,0|2,0,0]=4 1199 B6R1.8 [13CH3]N[C@@H]1C[C@@H]1F 2230a_100015190264_200025704644 [0,0,1,1,0,0|2,0,0]=4 1200 B6R1.8 [13CH3]N[C@@H]1C[C@H]1F 2230a_100025746932_200025704644 [0,0,1,1,0,0|2,0,0]=4 1201 B6R1.8 [13CH3]N[C@@H]1C[C@H]1F 34a_100025746932_200025704644 [0,0,1,1,0,0|2,0,0]=4 1202 B8R2.18 CN1CC2CC2C1 2230a_100000741873_200000210301 [0,1,0,1,0,0|1,0,0]=3 1203 B8R2.18 CN1CC2CC2C1 269982a_100000741873_200000210301 [0,1,0,1,0,0|1,0,0]=3 1204 B8R2.18 CN1CC2CC2C1 34a_100000741873_200000210301 [0,1,0,1,0,0|1,0,0]=3 1205 B8R2.18 [13CH3]N1CC2CC2C1 2230a_100000741873_200025704644 [0,1,0,1,0,0|1,0,0]=3 1206 B8R2.18 [13CH3]N1CC2CC2C1 269982a_100000741873_200025704644 [0,1,0,1,0,0|1,0,0]=3 1207 B8R2.18 [13CH3]N1CC2CC2C1 34a_100000741873_200025704644 [0,1,0,1,0,0|1,0,0]=3