0 B7R1.3 CN1CC=CCC1 2230a_100000698166_200000210301 [0,1,0,0,0,0|2,0,1]=4 1 B7R1.3 CN1CC=CCC1 269982a_100000698166_200000210301 [0,1,0,0,0,0|2,0,1]=4 2 B7R1.3 CN1CC=CCC1 34a_100000698166_200000210301 [0,1,0,0,0,0|2,0,1]=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|1,0,0]=2 7 B7R1.3 CN1CCOCC1 269982a_100015191051_200000210301 [0,1,0,0,0,0|1,0,0]=2 8 B7R1.3 CN1CCOCC1 34a_100015191051_200000210301 [0,1,0,0,0,0|1,0,0]=2 9 B7R1.3 CN1CCSCC1 2230a_100000737611_200000210301 [0,1,0,0,0,0|1,1,0]=3 10 B7R1.3 CN1CCSCC1 269982a_100000737611_200000210301 [0,1,0,0,0,0|1,1,0]=3 11 B7R1.3 [13CH3]N1CC=CCC1 2230a_100000698166_200025704644 [0,1,0,0,0,0|2,0,1]=4 12 B7R1.3 [13CH3]N1CC=CCC1 269982a_100000698166_200025704644 [0,1,0,0,0,0|2,0,1]=4 13 B7R1.3 [13CH3]N1CC=CCC1 34a_100000698166_200025704644 [0,1,0,0,0,0|2,0,1]=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|1,0,0]=2 18 B7R1.3 [13CH3]N1CCOCC1 269982a_100015191051_200025704644 [0,1,0,0,0,0|1,0,0]=2 19 B7R1.3 [13CH3]N1CCOCC1 34a_100015191051_200025704644 [0,1,0,0,0,0|1,0,0]=2 20 B7R1.3 [13CH3]N1CCSCC1 2230a_100000737611_200025704644 [0,1,0,0,0,0|1,1,0]=3 21 B7R1.3 [13CH3]N1CCSCC1 269982a_100000737611_200025704644 [0,1,0,0,0,0|1,1,0]=3 22 B5R0.2 C#CCCNC 2230a_106832991635_100000688953 [0,0,1,0,0,0|2,0,1]=4 23 B5R0.2 C#CCCNC 34a_100000755551_200000210301 [0,0,1,0,0,0|2,0,1]=4 24 B5R0.2 C#CCCNC 34a_100102657272_100000688953 [0,0,1,0,0,0|2,0,1]=4 25 B5R0.2 C#CCCNC 7a_106832991635_100000688953 [0,0,1,0,0,0|2,0,1]=4 26 B5R0.2 C#CCCN[13CH3] 34a_100000755551_200025704644 [0,0,1,0,0,0|2,0,1]=4 27 B5R0.2 C#CCCOC 34a_100011215631_200000210301 [0,0,1,0,0,0|1,0,1]=3 28 B5R0.2 C#CCCOC 34a_100138415774_100000688953 [0,0,1,0,0,0|1,0,1]=3 29 B5R0.2 C#CCCO[13CH3] 34a_100011215631_200025704644 [0,0,1,0,0,0|1,0,1]=3 30 B5R0.2 C#CCCSC 62a_100000688953_200000210301 [0,0,1,0,0,0|1,1,1]=4 31 B5R0.2 C#CCCSC 62a_200000210301_100000688953 [0,0,1,0,0,0|1,1,1]=4 32 B5R0.2 C#CCCS[13CH3] 62a_100000688953_200025704644 [0,0,1,0,0,0|1,1,1]=4 33 B5R0.2 C#CCCS[13CH3] 62a_200025704644_100000688953 [0,0,1,0,0,0|1,1,1]=4 34 B5R0.2 C#CCNCC 2230a_100015525214_100000038162 [0,0,1,0,0,0|2,0,1]=4 35 B5R0.2 C#CCNCC 34a_100000212058_100000210202 [0,0,1,0,0,0|2,0,1]=4 36 B5R0.2 C#CCOCC 34a_100000210247_100000210202 [0,0,1,0,0,0|1,0,1]=3 37 B5R0.2 C#CCOCC 34a_100121572206_100000184674 [0,0,1,0,0,0|1,0,1]=3 38 B5R0.2 C#CCOCF 34a_100000210247_100015361967 [0,0,1,0,0,0|2,0,1]=4 39 B5R0.2 C#CCSCC 62a_100000038162_100000210202 [0,0,1,0,0,0|1,1,1]=4 40 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [0,0,1,0,0,0|2,0,1]=4 41 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [0,0,1,0,0,0|2,0,1]=4 42 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [0,0,1,0,0,0|1,0,1]=3 43 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [0,0,1,0,0,0|1,0,1]=3 44 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [0,0,1,0,0,0|1,0,1]=3 45 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [0,0,1,0,0,0|1,1,1]=4 46 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [0,0,1,0,0,0|1,1,1]=4 47 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [0,0,1,0,0,0|1,1,1]=4 48 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [0,0,1,0,0,0|1,1,1]=4 49 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [0,0,1,0,0,0|2,0,1]=4 50 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [0,0,1,0,0,0|2,0,1]=4 51 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [0,0,1,0,0,0|2,0,1]=4 52 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [0,0,1,0,0,0|2,0,1]=4 53 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [0,0,1,0,0,0|2,0,1]=4 54 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [0,0,1,0,0,0|1,0,1]=3 55 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [0,0,1,0,0,0|1,0,1]=3 56 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [0,0,1,0,0,0|1,0,1]=3 57 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [0,0,1,0,0,0|1,1,1]=4 58 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [0,0,1,0,0,0|1,1,1]=4 59 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [0,0,1,0,0,0|1,1,1]=4 60 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [0,0,1,0,0,0|1,1,1]=4 61 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [0,0,1,0,0,0|2,0,1]=4 62 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [0,0,1,0,0,0|2,0,1]=4 63 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [0,0,1,0,0,0|1,0,1]=3 64 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [0,0,1,0,0,0|1,0,1]=3 65 B5R0.2 C=CCOCF 34a_200000210373_100015361967 [0,0,1,0,0,0|2,0,1]=4 66 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [0,0,1,0,0,0|1,1,1]=4 67 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [0,0,1,0,0,0|1,1,1]=4 68 B5R0.2 CC#CCNC 2230a_100000685387_200000210301 [0,0,1,0,0,0|2,0,1]=4 69 B5R0.2 CC#CCNC 2230a_106832991635_100000748600 [0,0,1,0,0,0|2,0,1]=4 70 B5R0.2 CC#CCNC 34a_100000685387_200000210301 [0,0,1,0,0,0|2,0,1]=4 71 B5R0.2 CC#CCNC 34a_100102657272_100000748600 [0,0,1,0,0,0|2,0,1]=4 72 B5R0.2 CC#CCNC 7a_106832991635_100000748600 [0,0,1,0,0,0|2,0,1]=4 73 B5R0.2 CC#CCN[13CH3] 2230a_100000685387_200025704644 [0,0,1,0,0,0|2,0,1]=4 74 B5R0.2 CC#CCN[13CH3] 34a_100000685387_200025704644 [0,0,1,0,0,0|2,0,1]=4 75 B5R0.2 CC#CCOC 34a_100000761923_200000210301 [0,0,1,0,0,0|1,0,1]=3 76 B5R0.2 CC#CCOC 34a_100138415774_100000748600 [0,0,1,0,0,0|1,0,1]=3 77 B5R0.2 CC#CCO[13CH3] 34a_100000761923_200025704644 [0,0,1,0,0,0|1,0,1]=3 78 B5R0.2 CC#CCSC 62a_100000748600_200000210301 [0,0,1,0,0,0|1,1,1]=4 79 B5R0.2 CC#CCSC 62a_200000210301_100000748600 [0,0,1,0,0,0|1,1,1]=4 80 B5R0.2 CC#CCS[13CH3] 62a_100000748600_200025704644 [0,0,1,0,0,0|1,1,1]=4 81 B5R0.2 CC#CCS[13CH3] 62a_200025704644_100000748600 [0,0,1,0,0,0|1,1,1]=4 82 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [0,0,1,0,0,0|2,0,1]=4 83 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [0,0,1,0,0,0|2,0,1]=4 84 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [0,0,1,0,0,0|2,0,1]=4 85 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [0,0,1,0,0,0|1,0,1]=3 86 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [0,0,1,0,0,0|1,1,1]=4 87 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [0,0,1,0,0,0|1,1,1]=4 88 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [0,0,1,0,0,0|1,1,1]=4 89 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [0,0,1,0,0,0|1,1,1]=4 90 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [0,0,1,0,0,0|2,0,0]=3 91 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [0,0,1,0,0,0|2,0,0]=3 92 B5R0.2 CCCCNC 34a_100102657272_100000210210 [0,0,1,0,0,0|2,0,0]=3 93 B5R0.2 CCCCNC 7a_106832991635_100000210211 [0,0,1,0,0,0|2,0,0]=3 94 B5R0.2 CCCCNC 7a_106832991798_200000210301 [0,0,1,0,0,0|2,0,0]=3 95 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [0,0,1,0,0,0|2,0,0]=3 96 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [0,0,1,0,0,0|2,0,0]=3 97 B5R0.2 CCCCOC 34a_100000210227_200000210301 [0,0,1,0,0,0|1,0,0]=2 98 B5R0.2 CCCCOC 34a_100138415774_100000210210 [0,0,1,0,0,0|1,0,0]=2 99 B5R0.2 CCCCOC 7a_100000210227_200000210301 [0,0,1,0,0,0|1,0,0]=2 100 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [0,0,1,0,0,0|1,0,0]=2 101 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [0,0,1,0,0,0|1,0,0]=2 102 B5R0.2 CCCCSC 62a_100000210211_200000210301 [0,0,1,0,0,0|1,1,0]=3 103 B5R0.2 CCCCSC 62a_200000210301_100000210210 [0,0,1,0,0,0|1,1,0]=3 104 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [0,0,1,0,0,0|1,1,0]=3 105 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [0,0,1,0,0,0|1,1,0]=3 106 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [0,0,1,0,0,0|2,0,0]=3 107 B5R0.2 CCCOCC 34a_100000210258_100000210202 [0,0,1,0,0,0|1,0,0]=2 108 B5R0.2 CCCOCC 34a_100121572206_100000210303 [0,0,1,0,0,0|1,0,0]=2 109 B5R0.2 CCCOCF 34a_100000210258_100015361967 [0,0,1,0,0,0|2,0,0]=3 110 B5R0.2 CCCSCC 62a_100000210202_100000210303 [0,0,1,0,0,0|1,1,0]=3 111 B5R0.2 CCCSCC 62a_100000210303_100000210202 [0,0,1,0,0,0|1,1,0]=3 112 B5R0.2 CCCSCF 62a_100000210303_100015361967 [0,0,1,0,0,0|2,1,0]=4 113 B5R0.2 CCCSCF 62a_100015361967_100000210303 [0,0,1,0,0,0|2,1,0]=4 114 B5R0.2 CCNCC#N 2230a_100015525214_100011215382 [0,0,1,0,0,0|2,0,1]=4 115 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [0,0,1,0,0,0|1,0,2]=4 116 B5R0.2 CCNCCF 2230a_100015525214_100011217306 [0,0,1,0,0,0|2,0,0]=3 117 B5R0.2 CCNCCF 34a_100000724931_100000210202 [0,0,1,0,0,0|2,0,0]=3 118 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [0,0,1,0,0,0|1,0,0]=2 119 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [0,0,1,0,0,0|1,0,0]=2 120 B5R0.2 CCNCCO 34a_100016990907_100000210202 [0,0,1,0,0,0|1,0,0]=2 121 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [0,0,1,0,0,0|2,0,0]=3 122 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [0,0,1,0,0,0|2,1,0]=4 123 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [0,0,1,0,0,0|0,0,2]=3 124 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [0,0,1,0,0,0|1,0,0]=2 125 B5R0.2 CCOCCF 34a_100121572206_100011217306 [0,0,1,0,0,0|1,0,0]=2 126 B5R0.2 CCOCCN 34a_100000210304_100000210202 [0,0,1,0,0,0|1,0,0]=2 127 B5R0.2 CCOCCO 34a_100121572206_100000211926 [0,0,1,0,0,0|0,0,0]=1 128 B5R0.2 CCOCSC 34a_100121572206_100011218213 [0,0,1,0,0,0|2,0,0]=3 129 B5R0.2 CCOCSC 62a_100000739092_200000210301 [0,0,1,0,0,0|2,0,0]=3 130 B5R0.2 CCOCSC 62a_200000210301_100000739092 [0,0,1,0,0,0|2,0,0]=3 131 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [0,0,1,0,0,0|2,0,0]=3 132 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [0,0,1,0,0,0|2,0,0]=3 133 B5R0.2 CCSCC#N 62a_100000210202_100011215382 [0,0,1,0,0,0|1,1,1]=4 134 B5R0.2 CCSCC#N 62a_100011215382_100000210202 [0,0,1,0,0,0|1,1,1]=4 135 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [0,0,1,0,0,0|0,1,2]=4 136 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [0,0,1,0,0,0|0,1,2]=4 137 B5R0.2 CCSCCF 62a_100000210202_100011217306 [0,0,1,0,0,0|1,1,0]=3 138 B5R0.2 CCSCCF 62a_100011217306_100000210202 [0,0,1,0,0,0|1,1,0]=3 139 B5R0.2 CCSCCO 62a_100000210202_100000211926 [0,0,1,0,0,0|0,1,0]=2 140 B5R0.2 CCSCCO 62a_100000211926_100000210202 [0,0,1,0,0,0|0,1,0]=2 141 B5R0.2 CCSCOC 62a_100000210202_100000766300 [0,0,1,0,0,0|2,0,0]=3 142 B5R0.2 CCSCOC 62a_100000766300_100000210202 [0,0,1,0,0,0|2,0,0]=3 143 B5R0.2 CCSCSC 62a_100000210202_100011218213 [0,0,1,0,0,0|2,1,0]=4 144 B5R0.2 CCSCSC 62a_100011218213_100000210202 [0,0,1,0,0,0|2,1,0]=4 145 B5R0.2 CNCCC#N 2230a_106832991635_100011215226 [0,0,1,0,0,0|3,0,0]=4 146 B5R0.2 CNCCC#N 7a_106832991635_100000184422 [0,0,1,0,0,0|3,0,0]=4 147 B5R0.2 CNCCCF 2230a_100015189416_200000210301 [0,0,1,0,0,0|3,0,0]=4 148 B5R0.2 CNCCCF 2230a_106832991635_100011934791 [0,0,1,0,0,0|3,0,0]=4 149 B5R0.2 CNCCCF 34a_100015189416_200000210301 [0,0,1,0,0,0|3,0,0]=4 150 B5R0.2 CNCCCF 34a_100102657272_100011934791 [0,0,1,0,0,0|3,0,0]=4 151 B5R0.2 CNCCCF 7a_106832991635_100011934791 [0,0,1,0,0,0|3,0,0]=4 152 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [0,0,1,0,0,0|2,0,0]=3 153 B5R0.2 CNCCCO 34a_100102657272_100000230001 [0,0,1,0,0,0|2,0,0]=3 154 B5R0.2 CNCCCO 7a_106832991635_100011215043 [0,0,1,0,0,0|2,0,0]=3 155 B5R0.2 CNCCOC 2230a_100000209980_200000210301 [0,0,1,0,0,0|1,0,0]=2 156 B5R0.2 CNCCOC 2230a_106832991635_100011201679 [0,0,1,0,0,0|1,0,0]=2 157 B5R0.2 CNCCOC 34a_100102657272_100011201679 [0,0,1,0,0,0|1,0,0]=2 158 B5R0.2 CNCCOC 7a_106832991635_100000233755 [0,0,1,0,0,0|1,0,0]=2 159 B5R0.2 CNCCSC 2230a_100020590264_200000210301 [0,0,1,0,0,0|1,1,0]=3 160 B5R0.2 CNCCSC 2230a_106832991635_100000751147 [0,0,1,0,0,0|1,1,0]=3 161 B5R0.2 CNCCSC 34a_100102657272_100000212216 [0,0,1,0,0,0|1,1,0]=3 162 B5R0.2 CNCCSC 7a_106832991635_100000212216 [0,0,1,0,0,0|1,1,0]=3 163 B5R0.2 COCCCBr 34a_100011217188_200000210301 [0,0,1,0,0,0|2,0,0]=3 164 B5R0.2 COCCCCl 34a_100000230001_200000210301 [0,0,1,0,0,0|2,0,0]=3 165 B5R0.2 COCCCF 34a_100000759539_200000210301 [0,0,1,0,0,0|2,0,0]=3 166 B5R0.2 COCCCF 34a_100138415774_100011934791 [0,0,1,0,0,0|2,0,0]=3 167 B5R0.2 COCCCN 34a_100000182051_200000210301 [0,0,1,0,0,0|2,0,0]=3 168 B5R0.2 COCCCO 34a_100138415774_100000230001 [0,0,1,0,0,0|2,0,0]=3 169 B5R0.2 COCCN[13CH3] 2230a_100000209980_200025704644 [0,0,1,0,0,0|1,0,0]=2 170 B5R0.2 COCCOC 34a_100000210237_200000210301 [0,0,1,0,0,0|0,0,0]=1 171 B5R0.2 COCCOC 34a_100138415774_100011201679 [0,0,1,0,0,0|0,0,0]=1 172 B5R0.2 COCCON 34a_100000700252_200000210301 [0,0,1,0,0,0|1,0,0]=2 173 B5R0.2 COCCO[13CH3] 34a_100000210237_200025704644 [0,0,1,0,0,0|0,0,0]=1 174 B5R0.2 COCCSC 34a_100000230434_200000210301 [0,0,1,0,0,0|0,1,0]=2 175 B5R0.2 COCCSC 34a_100138415774_100000212216 [0,0,1,0,0,0|0,1,0]=2 176 B5R0.2 COCCSC 62a_100000233755_200000210301 [0,0,1,0,0,0|0,1,0]=2 177 B5R0.2 COCCSC 62a_200000210301_100000233755 [0,0,1,0,0,0|0,1,0]=2 178 B5R0.2 COCCSC 7a_100000230434_200000210301 [0,0,1,0,0,0|0,1,0]=2 179 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [0,0,1,0,0,0|0,1,0]=2 180 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [0,0,1,0,0,0|0,1,0]=2 181 B5R0.2 COCSCF 62a_100000766300_100015361967 [0,0,1,0,0,0|3,0,0]=4 182 B5R0.2 COCSCF 62a_100015361967_100000766300 [0,0,1,0,0,0|3,0,0]=4 183 B5R0.2 CSCCC#N 62a_100011215226_200000210301 [0,0,1,0,0,0|2,1,0]=4 184 B5R0.2 CSCCC#N 62a_200000210301_100011215226 [0,0,1,0,0,0|2,1,0]=4 185 B5R0.2 CSCCCF 62a_100011934791_200000210301 [0,0,1,0,0,0|2,1,0]=4 186 B5R0.2 CSCCCF 62a_200000210301_100011934791 [0,0,1,0,0,0|2,1,0]=4 187 B5R0.2 CSCCCO 62a_100011215043_200000210301 [0,0,1,0,0,0|2,0,0]=3 188 B5R0.2 CSCCCO 62a_200000210301_100011215043 [0,0,1,0,0,0|2,0,0]=3 189 B5R0.2 CSCCN[13CH3] 2230a_100020590264_200025704644 [0,0,1,0,0,0|1,1,0]=3 190 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [0,0,1,0,0,0|0,1,0]=2 191 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [0,0,1,0,0,0|0,1,0]=2 192 B5R0.2 CSCCSC 62a_100000212216_200000210301 [0,0,1,0,0,0|0,2,0]=3 193 B5R0.2 CSCCSC 62a_200000210301_100000751147 [0,0,1,0,0,0|0,2,0]=3 194 B5R0.2 CSCCS[13CH3] 62a_100000212216_200025704644 [0,0,1,0,0,0|0,2,0]=3 195 B5R0.2 CSCCS[13CH3] 62a_200025704644_100000751147 [0,0,1,0,0,0|0,2,0]=3 196 B5R0.2 FCCNCF 34a_100000724931_100015361967 [0,0,1,0,0,0|3,0,0]=4 197 B5R0.2 FCCSCF 62a_100011217306_100015361967 [0,0,1,0,0,0|2,1,0]=4 198 B5R0.2 FCCSCF 62a_100015361967_100011217306 [0,0,1,0,0,0|2,1,0]=4 199 B5R0.2 FCOCCBr 34a_100000211926_100015361967 [0,0,1,0,0,0|2,0,0]=3 200 B5R0.2 NCCOCF 34a_100000210304_100015361967 [0,0,1,0,0,0|2,0,0]=3 201 B5R0.2 OCCNCF 34a_100016990907_100015361967 [0,0,1,0,0,0|2,0,0]=3 202 B5R0.2 OCCSCF 62a_100000211926_100015361967 [0,0,1,0,0,0|1,1,0]=3 203 B5R0.2 OCCSCF 62a_100015361967_100000211926 [0,0,1,0,0,0|1,1,0]=3 204 B5R0.2 [13CH3]NCCCF 2230a_100015189416_200025704644 [0,0,1,0,0,0|3,0,0]=4 205 B5R0.2 [13CH3]NCCCF 34a_100015189416_200025704644 [0,0,1,0,0,0|3,0,0]=4 206 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [0,0,1,0,0,0|2,0,0]=3 207 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [0,0,1,0,0,0|2,0,0]=3 208 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [0,0,1,0,0,0|2,0,0]=3 209 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [0,0,1,0,0,0|2,0,0]=3 210 B5R0.2 [13CH3]OCCON 34a_100000700252_200025704644 [0,0,1,0,0,0|1,0,0]=2 211 B5R0.2 [13CH3]SCCC#N 62a_100011215226_200025704644 [0,0,1,0,0,0|2,1,0]=4 212 B5R0.2 [13CH3]SCCC#N 62a_200025704644_100011215226 [0,0,1,0,0,0|2,1,0]=4 213 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [0,0,1,0,0,0|2,1,0]=4 214 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [0,0,1,0,0,0|2,1,0]=4 215 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [0,0,1,0,0,0|2,0,0]=3 216 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [0,0,1,0,0,0|2,0,0]=3 217 B4R0.2 C#CCOC 34a_100000210247_200000210301 [1,0,1,0,0,0|0,0,2]=4 218 B4R0.2 C#CCOC 34a_100138415774_100000184674 [1,0,1,0,0,0|0,0,2]=4 219 B4R0.2 C#CCO[13CH3] 34a_100000210247_200025704644 [1,0,1,0,0,0|0,0,2]=4 220 B4R0.2 C=CCOC 34a_100138415774_100015514636 [1,0,1,0,0,0|0,0,2]=4 221 B4R0.2 C=CCOC 34a_200000210373_200000210301 [1,0,1,0,0,0|0,0,2]=4 222 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [1,0,1,0,0,0|0,0,2]=4 223 B4R0.2 CCCNC 2230a_106832991635_100000210303 [1,0,1,0,0,0|1,0,0]=3 224 B4R0.2 CCCNC 34a_100102657272_100000210303 [1,0,1,0,0,0|1,0,0]=3 225 B4R0.2 CCCNC 7a_106832991635_100000210303 [1,0,1,0,0,0|1,0,0]=3 226 B4R0.2 CCCOC 34a_100000210258_200000210301 [1,0,1,0,0,0|0,0,0]=2 227 B4R0.2 CCCOC 34a_100138415774_100000210303 [1,0,1,0,0,0|0,0,0]=2 228 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [1,0,1,0,0,0|0,0,0]=2 229 B4R0.2 CCCSC 62a_100000210303_200000210301 [1,0,1,0,0,0|0,1,0]=3 230 B4R0.2 CCCSC 62a_200000210301_100000210303 [1,0,1,0,0,0|0,1,0]=3 231 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [1,0,1,0,0,0|0,1,0]=3 232 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [1,0,1,0,0,0|0,1,0]=3 233 B4R0.2 CCNCC 2230a_100015525214_100000210202 [1,0,1,0,0,0|1,0,0]=3 234 B4R0.2 CCOCC 34a_100121572206_100000210202 [1,0,1,0,0,0|0,0,0]=2 235 B4R0.2 CCOCF 34a_100121572206_100015361967 [1,0,1,0,0,0|1,0,0]=3 236 B4R0.2 CCSCC 62a_100000210202_100000210202 [1,0,1,0,0,0|0,1,0]=3 237 B4R0.2 CCSCF 62a_100000210202_100015361967 [1,0,1,0,0,0|1,1,0]=4 238 B4R0.2 CCSCF 62a_100015361967_100000210202 [1,0,1,0,0,0|1,1,0]=4 239 B4R0.2 CNCCF 2230a_106832991635_100011217306 [1,0,1,0,0,0|2,0,0]=4 240 B4R0.2 CNCCF 34a_100000724931_200000210301 [1,0,1,0,0,0|2,0,0]=4 241 B4R0.2 CNCCF 34a_100102657272_100011217306 [1,0,1,0,0,0|2,0,0]=4 242 B4R0.2 CNCCF 7a_106832991635_100011217306 [1,0,1,0,0,0|2,0,0]=4 243 B4R0.2 CNCCO 2230a_100016997473_200000210301 [1,0,1,0,0,0|1,0,0]=3 244 B4R0.2 CNCCO 2230a_106832991635_100000211926 [1,0,1,0,0,0|1,0,0]=3 245 B4R0.2 CNCCO 34a_100016990907_200000210301 [1,0,1,0,0,0|1,0,0]=3 246 B4R0.2 CNCCO 34a_100102657272_100000211926 [1,0,1,0,0,0|1,0,0]=3 247 B4R0.2 CNCCO 7a_106832991635_100000211926 [1,0,1,0,0,0|1,0,0]=3 248 B4R0.2 CNCOC 2230a_106832991635_100000766300 [1,0,1,0,0,0|1,0,0]=3 249 B4R0.2 CNCSC 2230a_106832991635_100011218213 [1,0,1,0,0,0|1,1,0]=4 250 B4R0.2 CNCSC 34a_100102657272_100011218213 [1,0,1,0,0,0|1,1,0]=4 251 B4R0.2 COCC=O 34a_100138415774_200009817547 [1,0,1,0,0,0|0,0,2]=4 252 B4R0.2 COCCBr 34a_100000211926_200000210301 [1,0,1,0,0,0|1,0,0]=3 253 B4R0.2 COCCF 34a_100138415774_100011217306 [1,0,1,0,0,0|1,0,0]=3 254 B4R0.2 COCCN 34a_100000210304_200000210301 [1,0,1,0,0,0|1,0,0]=3 255 B4R0.2 COCCO 34a_100138415774_100000211926 [1,0,1,0,0,0|0,0,0]=2 256 B4R0.2 COCSC 34a_100138415774_100011218213 [1,0,1,0,0,0|0,1,0]=3 257 B4R0.2 COCSC 62a_100000766300_200000210301 [1,0,1,0,0,0|0,1,0]=3 258 B4R0.2 COCSC 62a_200000210301_100000766300 [1,0,1,0,0,0|0,1,0]=3 259 B4R0.2 COCS[13CH3] 62a_100000766300_200025704644 [1,0,1,0,0,0|0,1,0]=3 260 B4R0.2 COCS[13CH3] 62a_200025704644_100000766300 [1,0,1,0,0,0|0,1,0]=3 261 B4R0.2 CSCCF 62a_100011217306_200000210301 [1,0,1,0,0,0|1,1,0]=4 262 B4R0.2 CSCCF 62a_200000210301_100011217306 [1,0,1,0,0,0|1,1,0]=4 263 B4R0.2 CSCCO 62a_100000211926_200000210301 [1,0,1,0,0,0|0,1,0]=3 264 B4R0.2 CSCCO 62a_200000210301_100000211926 [1,0,1,0,0,0|0,1,0]=3 265 B4R0.2 CSCSC 62a_100011218213_200000210301 [1,0,1,0,0,0|0,2,0]=4 266 B4R0.2 CSCSC 62a_200000210301_100011218213 [1,0,1,0,0,0|0,2,0]=4 267 B4R0.2 CSCS[13CH3] 62a_100011218213_200025704644 [1,0,1,0,0,0|0,2,0]=4 268 B4R0.2 CSCS[13CH3] 62a_200025704644_100011218213 [1,0,1,0,0,0|0,2,0]=4 269 B4R0.2 [13CH3]NCCF 34a_100000724931_200025704644 [1,0,1,0,0,0|2,0,0]=4 270 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [1,0,1,0,0,0|1,0,0]=3 271 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [1,0,1,0,0,0|1,0,0]=3 272 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [1,0,1,0,0,0|1,0,0]=3 273 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [1,0,1,0,0,0|1,0,0]=3 274 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [1,0,1,0,0,0|1,1,0]=4 275 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [1,0,1,0,0,0|1,1,0]=4 276 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [1,0,1,0,0,0|0,1,0]=3 277 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [1,0,1,0,0,0|0,1,0]=3 278 B6R0.1 C#CC(C)OCC 34a_100121572206_200000035995 [0,1,1,0,0,0|1,0,1]=4 279 B6R0.1 C#CCC(C)OC 34a_100000685586_200000210301 [0,1,1,0,0,0|1,0,1]=4 280 B6R0.1 C#CCC(C)OC 7a_100000685586_200000210301 [0,1,1,0,0,0|1,0,1]=4 281 B6R0.1 C#CCC(C)O[13CH3] 34a_100000685586_200025704644 [0,1,1,0,0,0|1,0,1]=4 282 B6R0.1 C#CCC(C)O[13CH3] 7a_100000685586_200025704644 [0,1,1,0,0,0|1,0,1]=4 283 B6R0.1 C#C[C@@H](C)OCC 34a_100009815206_100000210202 [0,1,1,0,0,0|1,0,1]=4 284 B6R0.1 C#C[C@@H](C)OCC 7a_100009815206_100000210202 [0,1,1,0,0,0|1,0,1]=4 285 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [0,1,1,0,0,0|1,0,1]=4 286 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [0,1,1,0,0,0|1,0,1]=4 287 B6R0.1 C=CC(C)COC 34a_100011215527_200000210301 [0,1,1,0,0,0|1,0,1]=4 288 B6R0.1 C=CC(C)COC 7a_100011215527_200000210301 [0,1,1,0,0,0|1,0,1]=4 289 B6R0.1 C=CC(C)CO[13CH3] 34a_100011215527_200025704644 [0,1,1,0,0,0|1,0,1]=4 290 B6R0.1 C=CC(C)CO[13CH3] 7a_100011215527_200025704644 [0,1,1,0,0,0|1,0,1]=4 291 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [0,1,1,0,0,0|1,0,1]=4 292 B6R0.1 C=CC(O)COC 34a_100138415774_100000730141 [0,1,1,0,0,0|1,0,1]=4 293 B6R0.1 C=CC[C@@H](C)OC 34a_100000731007_200000210301 [0,1,1,0,0,0|1,0,1]=4 294 B6R0.1 C=CC[C@@H](C)OC 7a_100000731007_200000210301 [0,1,1,0,0,0|1,0,1]=4 295 B6R0.1 C=CC[C@@H](C)O[13CH3] 34a_100000731007_200025704644 [0,1,1,0,0,0|1,0,1]=4 296 B6R0.1 C=CC[C@@H](C)O[13CH3] 7a_100000731007_200025704644 [0,1,1,0,0,0|1,0,1]=4 297 B6R0.1 C=C[C@H](N)COC 34a_100016989147_200000210301 [0,1,1,0,0,0|1,0,1]=4 298 B6R0.1 C=C[C@H](N)CO[13CH3] 34a_100016989147_200025704644 [0,1,1,0,0,0|1,0,1]=4 299 B6R0.1 CC#CC(C)OC 34a_100011216543_200000210301 [0,1,1,0,0,0|1,0,1]=4 300 B6R0.1 CC#CC(C)O[13CH3] 34a_100011216543_200025704644 [0,1,1,0,0,0|1,0,1]=4 301 B6R0.1 CC(CCBr)O[13CH3] 34a_100012276601_200025704644 [0,1,1,0,0,0|2,0,0]=4 302 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [0,1,1,0,0,0|2,0,0]=4 303 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [0,1,1,0,0,0|2,0,0]=4 304 B6R0.1 CC(CF)OCF 34a_100016041109_100015361967 [0,1,1,0,0,0|2,0,0]=4 305 B6R0.1 CC(CF)OCF 7a_100016041109_100015361967 [0,1,1,0,0,0|2,0,0]=4 306 B6R0.1 CC(CN)CO[13CH3] 34a_100000744482_200025704644 [0,1,1,0,0,0|2,0,0]=4 307 B6R0.1 CC(CN)OCF 34a_100000210904_100015361967 [0,1,1,0,0,0|2,0,0]=4 308 B6R0.1 CC(CO)CN[13CH3] 34a_100000744482_200025704644 [0,1,1,0,0,0|2,0,0]=4 309 B6R0.1 CC(CO)SCF 62a_100012180447_100015361967 [0,1,1,0,0,0|1,1,0]=4 310 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [0,1,1,0,0,0|2,0,0]=4 311 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [0,1,1,0,0,0|1,0,0]=3 312 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [0,1,1,0,0,0|1,0,0]=3 313 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [0,1,1,0,0,0|1,0,1]=4 314 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [0,1,1,0,0,0|1,0,1]=4 315 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [0,1,1,0,0,0|1,0,1]=4 316 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [0,1,1,0,0,0|2,0,0]=4 317 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [0,1,1,0,0,0|2,0,0]=4 318 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [0,1,1,0,0,0|2,0,0]=4 319 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [0,1,1,0,0,0|2,0,0]=4 320 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [0,1,1,0,0,0|2,0,0]=4 321 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [0,1,1,0,0,0|2,0,0]=4 322 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [0,1,1,0,0,0|1,0,0]=3 323 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [0,1,1,0,0,0|1,1,0]=4 324 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [0,1,1,0,0,0|1,1,0]=4 325 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [0,1,1,0,0,0|1,1,0]=4 326 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [0,1,1,0,0,0|1,1,0]=4 327 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [0,1,1,0,0,0|2,0,0]=4 328 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [0,1,1,0,0,0|2,0,0]=4 329 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [0,1,1,0,0,0|2,0,0]=4 330 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [0,1,1,0,0,0|2,0,0]=4 331 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [0,1,1,0,0,0|2,0,0]=4 332 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [0,1,1,0,0,0|2,0,0]=4 333 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [0,1,1,0,0,0|1,0,0]=3 334 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [0,1,1,0,0,0|1,1,0]=4 335 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [0,1,1,0,0,0|1,1,0]=4 336 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [0,1,1,0,0,0|1,1,0]=4 337 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [0,1,1,0,0,0|1,1,0]=4 338 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [0,1,1,0,0,0|2,0,0]=4 339 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [0,1,1,0,0,0|2,0,0]=4 340 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [0,1,1,0,0,0|1,0,1]=4 341 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [0,1,1,0,0,0|2,0,0]=4 342 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [0,1,1,0,0,0|2,0,0]=4 343 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [0,1,1,0,0,0|2,0,0]=4 344 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [0,1,1,0,0,0|2,0,0]=4 345 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [0,1,1,0,0,0|2,0,0]=4 346 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [0,1,1,0,0,0|2,0,0]=4 347 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [0,1,1,0,0,0|1,0,0]=3 348 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [0,1,1,0,0,0|1,0,0]=3 349 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [0,1,1,0,0,0|1,0,0]=3 350 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [0,1,1,0,0,0|1,0,0]=3 351 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [0,1,1,0,0,0|1,0,0]=3 352 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [0,1,1,0,0,0|1,1,0]=4 353 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [0,1,1,0,0,0|1,1,0]=4 354 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [0,1,1,0,0,0|1,1,0]=4 355 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [0,1,1,0,0,0|1,1,0]=4 356 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [0,1,1,0,0,0|2,0,0]=4 357 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [0,1,1,0,0,0|2,0,0]=4 358 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [0,1,1,0,0,0|2,0,0]=4 359 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [0,1,1,0,0,0|2,0,0]=4 360 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [0,1,1,0,0,0|2,0,0]=4 361 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [0,1,1,0,0,0|2,0,0]=4 362 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [0,1,1,0,0,0|2,0,0]=4 363 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [0,1,1,0,0,0|2,0,0]=4 364 B6R0.1 CCN(C)CCF 2230a_100000225621_100011217306 [0,1,1,0,0,0|2,0,0]=4 365 B6R0.1 CCN(C)CCF 269982a_100000225621_100011217306 [0,1,1,0,0,0|2,0,0]=4 366 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [0,1,1,0,0,0|1,0,0]=3 367 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [0,1,1,0,0,0|1,0,0]=3 368 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [0,1,1,0,0,0|1,0,0]=3 369 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [0,1,1,0,0,0|1,0,0]=3 370 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [0,1,1,0,0,0|1,0,0]=3 371 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [0,1,1,0,0,0|1,0,0]=3 372 B6R0.1 CCN(C)COC 2230a_100000225621_100000766300 [0,1,1,0,0,0|2,0,0]=4 373 B6R0.1 CCN(C)COC 269982a_100000225621_100000766300 [0,1,1,0,0,0|2,0,0]=4 374 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [0,1,1,0,0,0|1,0,0]=3 375 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [0,1,1,0,0,0|1,0,0]=3 376 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [0,1,1,0,0,0|1,0,1]=4 377 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [0,1,1,0,0,0|1,0,1]=4 378 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [0,1,1,0,0,0|2,0,0]=4 379 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [0,1,1,0,0,0|2,0,0]=4 380 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [0,1,1,0,0,0|1,0,0]=3 381 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [0,1,1,0,0,0|1,0,0]=3 382 B6R0.1 CCOC(C)C#N 34a_100011218135_100000210202 [0,1,1,0,0,0|1,0,1]=4 383 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [0,1,1,0,0,0|1,0,0]=3 384 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [0,1,1,0,0,0|1,0,0]=3 385 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [0,1,1,0,0,0|1,0,0]=3 386 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [0,1,1,0,0,0|1,0,0]=3 387 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [0,1,1,0,0,0|1,0,0]=3 388 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [0,1,1,0,0,0|0,0,0]=2 389 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [0,1,1,0,0,0|1,1,0]=4 390 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [0,1,1,0,0,0|1,1,0]=4 391 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [0,1,1,0,0,0|0,1,0]=3 392 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [0,1,1,0,0,0|2,0,0]=4 393 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [0,1,1,0,0,0|2,0,0]=4 394 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [0,1,1,0,0,0|0,1,0]=3 395 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [0,1,1,0,0,0|0,1,0]=3 396 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [0,1,1,0,0,0|2,0,0]=4 397 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [0,1,1,0,0,0|2,0,0]=4 398 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [0,1,1,0,0,0|2,0,0]=4 399 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [0,1,1,0,0,0|1,0,0]=3 400 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [0,1,1,0,0,0|1,0,0]=3 401 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [0,1,1,0,0,0|1,0,0]=3 402 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [0,1,1,0,0,0|1,1,0]=4 403 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [0,1,1,0,0,0|1,1,0]=4 404 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [0,1,1,0,0,0|1,1,0]=4 405 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [0,1,1,0,0,0|1,1,0]=4 406 B6R0.1 CN(CF)CCO 269982a_100000210263_100015361967 [0,1,1,0,0,0|2,0,0]=4 407 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [0,1,1,0,0,0|2,0,0]=4 408 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [0,1,1,0,0,0|1,0,1]=4 409 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [0,1,1,0,0,0|1,0,1]=4 410 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [0,1,1,0,0,0|1,0,1]=4 411 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [0,1,1,0,0,0|1,0,1]=4 412 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [0,1,1,0,0,0|1,0,1]=4 413 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [0,1,1,0,0,0|1,0,1]=4 414 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [0,1,1,0,0,0|1,0,1]=4 415 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [0,1,1,0,0,0|2,0,0]=4 416 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [0,1,1,0,0,0|2,0,0]=4 417 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [0,1,1,0,0,0|2,0,0]=4 418 B6R0.1 CNC(C)COC 2230a_106832991635_100000765312 [0,1,1,0,0,0|1,0,0]=3 419 B6R0.1 CNC(C)COC 270004a_106832991635_100000749346 [0,1,1,0,0,0|1,0,0]=3 420 B6R0.1 CNC(C)COC 34a_100102657272_100000765312 [0,1,1,0,0,0|1,0,0]=3 421 B6R0.1 CNC(C)COC 7a_106832991635_100000765312 [0,1,1,0,0,0|1,0,0]=3 422 B6R0.1 CNC(C)CSC 270004a_106832991635_100011216314 [0,1,1,0,0,0|1,1,0]=4 423 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [0,1,1,0,0,0|1,0,1]=4 424 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [0,1,1,0,0,0|1,0,1]=4 425 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [0,1,1,0,0,0|1,0,1]=4 426 B6R0.1 CNCC(C)CO 34a_100000744482_200000210301 [0,1,1,0,0,0|2,0,0]=4 427 B6R0.1 CNCC(O)CO 2230a_106832991635_100011219619 [0,1,1,0,0,0|2,0,0]=4 428 B6R0.1 CNCC(O)CO 34a_100102657272_100011219619 [0,1,1,0,0,0|2,0,0]=4 429 B6R0.1 CNCC(O)CO 7a_106832991635_100011219619 [0,1,1,0,0,0|2,0,0]=4 430 B6R0.1 CNC[C@@H](C)CO 2230a_106832991635_100000059175 [0,1,1,0,0,0|2,0,0]=4 431 B6R0.1 CNC[C@@H](C)CO 34a_100102657272_100000059175 [0,1,1,0,0,0|2,0,0]=4 432 B6R0.1 CNC[C@@H](C)CO 7a_106832991635_100000059175 [0,1,1,0,0,0|2,0,0]=4 433 B6R0.1 CNC[C@@H](C)OC 2230a_100020591295_200000210301 [0,1,1,0,0,0|1,0,0]=3 434 B6R0.1 CNC[C@@H](F)CO 34a_100015665980_200000210301 [0,1,1,0,0,0|2,0,0]=4 435 B6R0.1 CNC[C@@H](O)CO 2230a_106832991635_100009815848 [0,1,1,0,0,0|2,0,0]=4 436 B6R0.1 CNC[C@@H](O)CO 34a_100102657272_100009815848 [0,1,1,0,0,0|2,0,0]=4 437 B6R0.1 CNC[C@@H](O)CO 7a_106832991635_100009815848 [0,1,1,0,0,0|2,0,0]=4 438 B6R0.1 CNC[C@H](O)CO 2230a_100020644852_200000210301 [0,1,1,0,0,0|2,0,0]=4 439 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [0,1,1,0,0,0|2,0,0]=4 440 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [0,1,1,0,0,0|2,0,0]=4 441 B6R0.1 CN[C@H](C)COC 2230a_100000764878_200000210301 [0,1,1,0,0,0|1,0,0]=3 442 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [0,1,1,0,0,0|0,1,1]=4 443 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [0,1,1,0,0,0|0,1,1]=4 444 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [0,1,1,0,0,0|0,1,1]=4 445 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [0,1,1,0,0,0|0,1,1]=4 446 B6R0.1 COC(C)CCBr 34a_100012276601_200000210301 [0,1,1,0,0,0|2,0,0]=4 447 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [0,1,1,0,0,0|2,0,0]=4 448 B6R0.1 COC(C)CO[13CH3] 34a_100000690652_200025704644 [0,1,1,0,0,0|0,0,0]=2 449 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [0,1,1,0,0,0|0,0,1]=3 450 B6R0.1 COCC(C)CN 34a_100000744482_200000210301 [0,1,1,0,0,0|2,0,0]=4 451 B6R0.1 COCC(C)OC 34a_100000690652_200000210301 [0,1,1,0,0,0|0,0,0]=2 452 B6R0.1 COCC(C)OC 34a_100138415774_100000765312 [0,1,1,0,0,0|0,0,0]=2 453 B6R0.1 COCC(C)SC 62a_100000765312_200000210301 [0,1,1,0,0,0|0,1,0]=3 454 B6R0.1 COCC(C)SC 62a_200000210301_100000765312 [0,1,1,0,0,0|0,1,0]=3 455 B6R0.1 COCC(C)S[13CH3] 62a_100000765312_200025704644 [0,1,1,0,0,0|0,1,0]=3 456 B6R0.1 COCC(C)S[13CH3] 62a_200025704644_100000765312 [0,1,1,0,0,0|0,1,0]=3 457 B6R0.1 COCC(Cl)CCl 34a_100000033668_200000210301 [0,1,1,0,0,0|2,0,0]=4 458 B6R0.1 COCC(O)CO 34a_100138415774_100011219619 [0,1,1,0,0,0|2,0,0]=4 459 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [0,1,1,0,0,0|2,0,0]=4 460 B6R0.1 COC[C@@H](C)N[13CH3] 2230a_100000764878_200025704644 [0,1,1,0,0,0|1,0,0]=3 461 B6R0.1 COC[C@@H](C)OC 34a_100011934205_200000210301 [0,1,1,0,0,0|0,0,0]=2 462 B6R0.1 COC[C@@H](C)O[13CH3] 34a_100011934205_200025704644 [0,1,1,0,0,0|0,0,0]=2 463 B6R0.1 COC[C@@H](O)CF 34a_100138415774_100015614560 [0,1,1,0,0,0|2,0,0]=4 464 B6R0.1 COC[C@@H](O)CO 34a_100138415774_100009815848 [0,1,1,0,0,0|2,0,0]=4 465 B6R0.1 COC[C@H](F)CN 34a_100015665980_200000210301 [0,1,1,0,0,0|2,0,0]=4 466 B6R0.1 CO[C@H](C)CN[13CH3] 2230a_100020591295_200025704644 [0,1,1,0,0,0|1,0,0]=3 467 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [0,1,1,0,0,0|2,0,0]=4 468 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [0,1,1,0,0,0|2,0,0]=4 469 B6R0.1 CSCC(O)CO 62a_100011219619_200000210301 [0,1,1,0,0,0|2,0,0]=4 470 B6R0.1 CSCC(O)CO 62a_200000210301_100011219619 [0,1,1,0,0,0|2,0,0]=4 471 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [0,1,1,0,0,0|2,0,0]=4 472 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [0,1,1,0,0,0|2,0,0]=4 473 B6R0.1 CSC[C@@H](O)CO 62a_100009815848_200000210301 [0,1,1,0,0,0|2,0,0]=4 474 B6R0.1 CSC[C@@H](O)CO 62a_200000210301_100009815848 [0,1,1,0,0,0|2,0,0]=4 475 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [0,1,1,0,0,0|2,0,0]=4 476 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [0,1,1,0,0,0|2,0,0]=4 477 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [0,1,1,0,0,0|2,0,0]=4 478 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [0,1,1,0,0,0|2,0,0]=4 479 B6R0.1 C[C@H](CO)SCF 62a_100015361967_100016084084 [0,1,1,0,0,0|1,1,0]=4 480 B6R0.1 C[C@H](CO)SCF 62a_100016084084_100015361967 [0,1,1,0,0,0|1,1,0]=4 481 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [0,1,1,0,0,0|2,0,0]=4 482 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [0,1,1,0,0,0|2,0,0]=4 483 B6R0.1 [13CH3]NC[C@@H](F)CO 34a_100015665980_200025704644 [0,1,1,0,0,0|2,0,0]=4 484 B6R0.1 [13CH3]NC[C@H](O)CO 2230a_100020644852_200025704644 [0,1,1,0,0,0|2,0,0]=4 485 B6R0.1 [13CH3]OCC(Cl)CCl 34a_100000033668_200025704644 [0,1,1,0,0,0|2,0,0]=4 486 B6R0.1 [13CH3]OC[C@H](F)CN 34a_100015665980_200025704644 [0,1,1,0,0,0|2,0,0]=4 487 B6R0.1 [13CH3]SCC(O)CO 62a_100011219619_200025704644 [0,1,1,0,0,0|2,0,0]=4 488 B6R0.1 [13CH3]SCC(O)CO 62a_200025704644_100011219619 [0,1,1,0,0,0|2,0,0]=4 489 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_100009815848_200025704644 [0,1,1,0,0,0|2,0,0]=4 490 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_200025704644_100009815848 [0,1,1,0,0,0|2,0,0]=4 491 B6R0.4 C#CCOC(C)C 34a_100000210247_100000210206 [0,1,1,0,0,0|1,0,1]=4 492 B6R0.4 C#CCOC(C)C 34a_100000212225_100000184674 [0,1,1,0,0,0|1,0,1]=4 493 B6R0.4 C=C(Br)CCOC 34a_100009813270_200000210301 [0,1,1,0,0,0|1,0,1]=4 494 B6R0.4 C=C(Br)CCO[13CH3] 34a_100009813270_200025704644 [0,1,1,0,0,0|1,0,1]=4 495 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [0,1,1,0,0,0|2,0,0]=4 496 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [0,1,1,0,0,0|2,0,0]=4 497 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [0,1,1,0,0,0|2,0,0]=4 498 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [0,1,1,0,0,0|1,0,0]=3 499 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [0,1,1,0,0,0|1,0,0]=3 500 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [0,1,1,0,0,0|1,0,0]=3 501 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [0,1,1,0,0,0|1,1,0]=4 502 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [0,1,1,0,0,0|1,1,0]=4 503 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [0,1,1,0,0,0|1,1,0]=4 504 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [0,1,1,0,0,0|1,1,0]=4 505 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [0,1,1,0,0,0|1,0,1]=4 506 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [0,1,1,0,0,0|1,0,1]=4 507 B6R0.4 C=C(F)COCC 34a_100121572206_100009893438 [0,1,1,0,0,0|1,0,1]=4 508 B6R0.4 C=C(F)COCC 34a_200010262243_100000210202 [0,1,1,0,0,0|1,0,1]=4 509 B6R0.4 C=CCOC(C)C 34a_100000212225_100015514636 [0,1,1,0,0,0|1,0,1]=4 510 B6R0.4 C=CCOC(C)C 34a_200000210373_100000210206 [0,1,1,0,0,0|1,0,1]=4 511 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [0,1,1,0,0,0|1,0,1]=4 512 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [0,1,1,0,0,0|1,0,1]=4 513 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [0,1,1,0,0,0|1,0,0]=3 514 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [0,1,1,0,0,0|1,0,0]=3 515 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [0,1,1,0,0,0|1,1,0]=4 516 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [0,1,1,0,0,0|1,1,0]=4 517 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [0,1,1,0,0,0|1,0,1]=4 518 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [0,1,1,0,0,0|1,0,1]=4 519 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [0,1,1,0,0,0|1,0,0]=3 520 B6R0.4 CC(Br)COCF 34a_100012180447_100015361967 [0,1,1,0,0,0|2,0,0]=4 521 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [0,1,1,0,0,0|1,0,0]=3 522 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [0,1,1,0,0,0|1,0,0]=3 523 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [0,1,1,0,0,0|1,1,0]=4 524 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [0,1,1,0,0,0|1,1,0]=4 525 B6R0.4 CC(C)COCF 34a_100000210257_100015361967 [0,1,1,0,0,0|2,0,0]=4 526 B6R0.4 CC(C)NCCF 2230a_100138425928_100011217306 [0,1,1,0,0,0|2,0,0]=4 527 B6R0.4 CC(C)NCCF 34a_100000724931_100000210206 [0,1,1,0,0,0|2,0,0]=4 528 B6R0.4 CC(C)NCCF 34a_100138425928_100011217306 [0,1,1,0,0,0|2,0,0]=4 529 B6R0.4 CC(C)NCCO 2230a_100016997473_100000210206 [0,1,1,0,0,0|1,0,0]=3 530 B6R0.4 CC(C)NCCO 2230a_100138425928_100000211926 [0,1,1,0,0,0|1,0,0]=3 531 B6R0.4 CC(C)NCCO 34a_100016990907_100000210206 [0,1,1,0,0,0|1,0,0]=3 532 B6R0.4 CC(C)NCCO 34a_100138425928_100000211926 [0,1,1,0,0,0|1,0,0]=3 533 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [0,1,1,0,0,0|0,0,2]=4 534 B6R0.4 CC(C)OCCBr 34a_100000211926_100000210206 [0,1,1,0,0,0|1,0,0]=3 535 B6R0.4 CC(C)OCCF 34a_100000212225_100011217306 [0,1,1,0,0,0|1,0,0]=3 536 B6R0.4 CC(C)OCCN 34a_100000210304_100000210206 [0,1,1,0,0,0|1,0,0]=3 537 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [0,1,1,0,0,0|0,0,0]=2 538 B6R0.4 CC(C)OCS[13CH3] 62a_100000709892_200025704644 [0,1,1,0,0,0|2,0,0]=4 539 B6R0.4 CC(C)OCS[13CH3] 62a_200025704644_100000709892 [0,1,1,0,0,0|2,0,0]=4 540 B6R0.4 CC(C)SCCF 62a_100000210206_100011217306 [0,1,1,0,0,0|1,1,0]=4 541 B6R0.4 CC(C)SCCF 62a_100011217306_100000210206 [0,1,1,0,0,0|1,1,0]=4 542 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [0,1,1,0,0,0|0,1,0]=3 543 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [0,1,1,0,0,0|0,1,0]=3 544 B6R0.4 CC(F)COCF 34a_100015925927_100015361967 [0,1,1,0,0,0|2,0,0]=4 545 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [0,1,1,0,0,0|2,0,0]=4 546 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [0,1,1,0,0,0|1,1,0]=4 547 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [0,1,1,0,0,0|1,1,0]=4 548 B6R0.4 CC(O)CNCF 34a_100000210904_100015361967 [0,1,1,0,0,0|2,0,0]=4 549 B6R0.4 CC(O)CSCF 62a_100011218427_100015361967 [0,1,1,0,0,0|1,1,0]=4 550 B6R0.4 CC(O)CSCF 62a_100015361967_100011218427 [0,1,1,0,0,0|1,1,0]=4 551 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [0,1,1,0,0,0|2,0,0]=4 552 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [0,1,1,0,0,0|2,0,0]=4 553 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [0,1,1,0,0,0|2,0,0]=4 554 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [0,1,1,0,0,0|2,0,0]=4 555 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [0,1,1,0,0,0|2,0,0]=4 556 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [0,1,1,0,0,0|2,0,0]=4 557 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [0,1,1,0,0,0|2,0,0]=4 558 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [0,1,1,0,0,0|2,0,0]=4 559 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [0,1,1,0,0,0|2,0,0]=4 560 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [0,1,1,0,0,0|2,0,0]=4 561 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [0,1,1,0,0,0|2,0,0]=4 562 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [0,1,1,0,0,0|1,0,0]=3 563 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [0,1,1,0,0,0|1,0,0]=3 564 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [0,1,1,0,0,0|1,1,0]=4 565 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [0,1,1,0,0,0|1,1,0]=4 566 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [0,1,1,0,0,0|1,0,1]=4 567 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [0,1,1,0,0,0|2,0,0]=4 568 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [0,1,1,0,0,0|2,0,0]=4 569 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [0,1,1,0,0,0|2,0,0]=4 570 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [0,1,1,0,0,0|2,0,0]=4 571 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [0,1,1,0,0,0|1,0,0]=3 572 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [0,1,1,0,0,0|1,0,0]=3 573 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [0,1,1,0,0,0|1,0,0]=3 574 B6R0.4 CCNCC(F)F 2230a_100015525214_100011934356 [0,1,1,0,0,0|2,0,0]=4 575 B6R0.4 CCNCC(F)F 34a_100000765723_100000210202 [0,1,1,0,0,0|2,0,0]=4 576 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [0,1,1,0,0,0|1,0,0]=3 577 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [0,1,1,0,0,0|0,0,2]=4 578 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [0,1,1,0,0,0|0,0,2]=4 579 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [0,1,1,0,0,0|0,0,2]=4 580 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [0,1,1,0,0,0|0,0,2]=4 581 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [0,1,1,0,0,0|0,0,2]=4 582 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [0,1,1,0,0,0|1,0,0]=3 583 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [0,1,1,0,0,0|1,0,0]=3 584 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [0,1,1,0,0,0|1,0,0]=3 585 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [0,1,1,0,0,0|1,0,0]=3 586 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [0,1,1,0,0,0|0,0,0]=2 587 B6R0.4 CCOCC(F)F 34a_100000743014_100000210202 [0,1,1,0,0,0|1,0,0]=3 588 B6R0.4 CCOCC(F)F 34a_100121572206_100011934356 [0,1,1,0,0,0|1,0,0]=3 589 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [0,1,1,0,0,0|2,0,0]=4 590 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [0,1,1,0,0,0|1,0,0]=3 591 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [0,1,1,0,0,0|1,0,0]=3 592 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [0,1,1,0,0,0|0,0,0]=2 593 B6R0.4 CCOC[N+](=O)[O-] 34a_100121572206_100000761209 [0,1,1,0,0,0|1,0,1]=4 594 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [0,1,1,0,0,0|1,1,0]=4 595 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [0,1,1,0,0,0|1,1,0]=4 596 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [0,1,1,0,0,0|0,1,0]=3 597 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [0,1,1,0,0,0|0,1,0]=3 598 B6R0.4 CCSCC(F)F 62a_100000210202_100011934356 [0,1,1,0,0,0|1,1,0]=4 599 B6R0.4 CCSCC(F)F 62a_100011934356_100000210202 [0,1,1,0,0,0|1,1,0]=4 600 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [0,1,1,0,0,0|0,1,0]=3 601 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [0,1,1,0,0,0|0,1,0]=3 602 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [0,1,1,0,0,0|2,0,0]=4 603 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [0,1,1,0,0,0|2,0,0]=4 604 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [0,1,1,0,0,0|2,0,0]=4 605 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [0,1,1,0,0,0|2,0,0]=4 606 B6R0.4 CN(C)CCS[13CH3] 62a_200025704644_100000755713 [0,1,1,0,0,0|1,1,0]=4 607 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [0,1,1,0,0,0|2,0,0]=4 608 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [0,1,1,0,0,0|2,0,0]=4 609 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [0,1,1,0,0,0|2,0,0]=4 610 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [0,1,1,0,0,0|2,0,0]=4 611 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [0,1,1,0,0,0|2,0,0]=4 612 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [0,1,1,0,0,0|2,0,0]=4 613 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [0,1,1,0,0,0|2,0,0]=4 614 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [0,1,1,0,0,0|2,0,0]=4 615 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [0,1,1,0,0,0|2,0,0]=4 616 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [0,1,1,0,0,0|2,0,0]=4 617 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [0,1,1,0,0,0|2,0,0]=4 618 B6R0.4 CNCCN(C)C 7a_106832991635_100000755713 [0,1,1,0,0,0|2,0,0]=4 619 B6R0.4 CNCOC(C)C 2230a_106832991635_100000709892 [0,1,1,0,0,0|2,0,0]=4 620 B6R0.4 CNCOC(C)C 34a_100102657272_100000709892 [0,1,1,0,0,0|2,0,0]=4 621 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [0,1,1,0,0,0|1,0,1]=4 622 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [0,1,1,0,0,0|1,0,1]=4 623 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [0,1,1,0,0,0|1,0,1]=4 624 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [0,1,1,0,0,0|1,0,0]=3 625 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [0,1,1,0,0,0|1,0,0]=3 626 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [0,1,1,0,0,0|1,0,0]=3 627 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [0,1,1,0,0,0|1,0,0]=3 628 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [0,1,1,0,0,0|2,0,0]=4 629 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [0,1,1,0,0,0|2,0,0]=4 630 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [0,1,1,0,0,0|2,0,0]=4 631 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [0,1,1,0,0,0|1,0,0]=3 632 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [0,1,1,0,0,0|1,0,0]=3 633 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [0,1,1,0,0,0|1,0,0]=3 634 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [0,1,1,0,0,0|1,0,0]=3 635 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [0,1,1,0,0,0|1,0,0]=3 636 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [0,1,1,0,0,0|1,0,0]=3 637 B6R0.4 COCCC(F)F 34a_100103093639_200000210301 [0,1,1,0,0,0|2,0,0]=4 638 B6R0.4 COCCN(C)C 2230a_100000743101_200000210301 [0,1,1,0,0,0|1,0,0]=3 639 B6R0.4 COCCN(C)C 2230a_100102631434_100011201679 [0,1,1,0,0,0|1,0,0]=3 640 B6R0.4 COCCN(C)C 269982a_100000743101_200000210301 [0,1,1,0,0,0|1,0,0]=3 641 B6R0.4 COCCN(C)C 269982a_100102631434_100000233755 [0,1,1,0,0,0|1,0,0]=3 642 B6R0.4 COCCN(C)[13CH3] 2230a_100000743101_200025704644 [0,1,1,0,0,0|1,0,0]=3 643 B6R0.4 COCCN(C)[13CH3] 269982a_100000743101_200025704644 [0,1,1,0,0,0|1,0,0]=3 644 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [0,1,1,0,0,0|1,0,0]=3 645 B6R0.4 COCNC(C)C 2230a_100138425928_100000766300 [0,1,1,0,0,0|2,0,0]=4 646 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [0,1,1,0,0,0|2,0,0]=4 647 B6R0.4 COCOC(C)C 34a_100138415774_100000709892 [0,1,1,0,0,0|2,0,0]=4 648 B6R0.4 COCSC(C)C 62a_100000210206_100000766300 [0,1,1,0,0,0|2,0,0]=4 649 B6R0.4 COCSC(C)C 62a_100000766300_100000210206 [0,1,1,0,0,0|2,0,0]=4 650 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [0,1,1,0,0,0|1,1,0]=4 651 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [0,1,1,0,0,0|1,1,0]=4 652 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [0,1,1,0,0,0|1,1,0]=4 653 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [0,1,1,0,0,0|1,1,0]=4 654 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [0,1,1,0,0,0|1,1,0]=4 655 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [0,1,1,0,0,0|1,1,0]=4 656 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [0,1,1,0,0,0|1,1,0]=4 657 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [0,1,1,0,0,0|1,1,0]=4 658 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [0,1,1,0,0,0|1,1,0]=4 659 B6R0.4 CSCCN(C)C 2230a_100000686725_200000210301 [0,1,1,0,0,0|1,1,0]=4 660 B6R0.4 CSCCN(C)C 2230a_100102631434_100000751147 [0,1,1,0,0,0|1,1,0]=4 661 B6R0.4 CSCCN(C)C 269982a_100000686725_200000210301 [0,1,1,0,0,0|1,1,0]=4 662 B6R0.4 CSCCN(C)C 269982a_100102631434_100000212216 [0,1,1,0,0,0|1,1,0]=4 663 B6R0.4 CSCCN(C)C 62a_200000210301_100000755713 [0,1,1,0,0,0|1,1,0]=4 664 B6R0.4 CSCCN(C)[13CH3] 2230a_100000686725_200025704644 [0,1,1,0,0,0|1,1,0]=4 665 B6R0.4 CSCCN(C)[13CH3] 269982a_100000686725_200025704644 [0,1,1,0,0,0|1,1,0]=4 666 B6R0.4 CSCOC(C)C 34a_100000212225_100011218213 [0,1,1,0,0,0|2,0,0]=4 667 B6R0.4 CSCOC(C)C 62a_100000709892_200000210301 [0,1,1,0,0,0|2,0,0]=4 668 B6R0.4 CSCOC(C)C 62a_200000210301_100000709892 [0,1,1,0,0,0|2,0,0]=4 669 B6R0.4 C[C@@H](Cl)COCF 34a_100016084084_100015361967 [0,1,1,0,0,0|2,0,0]=4 670 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [0,1,1,0,0,0|1,0,0]=3 671 B6R0.4 C[C@@H](N)COCF 34a_100000737577_100015361967 [0,1,1,0,0,0|2,0,0]=4 672 B6R0.4 C[C@@H](O)CSCF 62a_100009817552_100015361967 [0,1,1,0,0,0|1,1,0]=4 673 B6R0.4 C[C@@H](O)CSCF 62a_100015361967_100009817552 [0,1,1,0,0,0|1,1,0]=4 674 B6R0.4 FCOCC(F)F 34a_100000743014_100015361967 [0,1,1,0,0,0|2,0,0]=4 675 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [0,1,1,0,0,0|1,0,1]=4 676 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [0,1,1,0,0,0|2,0,0]=4 677 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [0,1,1,0,0,0|2,0,0]=4 678 B6R0.4 [13CH3]OCCC(F)F 34a_100103093639_200025704644 [0,1,1,0,0,0|2,0,0]=4 679 B6R0.6 C#CCCCOC 34a_100000215630_200000210301 [0,1,1,0,0,0|1,0,1]=4 680 B6R0.6 C#CCCCOC 34a_100138415774_100000695029 [0,1,1,0,0,0|1,0,1]=4 681 B6R0.6 C#CCCCOC 7a_100000215630_200000210301 [0,1,1,0,0,0|1,0,1]=4 682 B6R0.6 C#CCCCO[13CH3] 34a_100000215630_200025704644 [0,1,1,0,0,0|1,0,1]=4 683 B6R0.6 C#CCCCO[13CH3] 7a_100000215630_200025704644 [0,1,1,0,0,0|1,0,1]=4 684 B6R0.6 C#CCCNCC 2230a_100015525214_100000688953 [0,1,1,0,0,0|2,0,0]=4 685 B6R0.6 C#CCCNCC 34a_100000755551_100000210202 [0,1,1,0,0,0|2,0,0]=4 686 B6R0.6 C#CCCOCC 34a_100011215631_100000210202 [0,1,1,0,0,0|1,0,0]=3 687 B6R0.6 C#CCCOCC 34a_100121572206_100000688953 [0,1,1,0,0,0|1,0,0]=3 688 B6R0.6 C#CCCOCF 34a_100011215631_100015361967 [0,1,1,0,0,0|1,0,1]=4 689 B6R0.6 C#CCCSCC 62a_100000210202_100000688953 [0,1,1,0,0,0|1,1,0]=4 690 B6R0.6 C#CCCSCC 62a_100000688953_100000210202 [0,1,1,0,0,0|1,1,0]=4 691 B6R0.6 C#CCNCCO 2230a_100016997473_100000038162 [0,1,1,0,0,0|1,0,1]=4 692 B6R0.6 C#CCNCCO 34a_100000212058_100000211926 [0,1,1,0,0,0|1,0,1]=4 693 B6R0.6 C#CCNCCO 34a_100016990907_100000184674 [0,1,1,0,0,0|1,0,1]=4 694 B6R0.6 C#CCOCCBr 34a_100000211926_100000184674 [0,1,1,0,0,0|1,0,1]=4 695 B6R0.6 C#CCOCCC 34a_100000210247_100000210303 [0,1,1,0,0,0|1,0,1]=4 696 B6R0.6 C#CCOCCC 34a_100000210258_100000184674 [0,1,1,0,0,0|1,0,1]=4 697 B6R0.6 C#CCOCCF 34a_100000210247_100011217306 [0,1,1,0,0,0|1,0,1]=4 698 B6R0.6 C#CCOCCN 34a_100000210304_100000184674 [0,1,1,0,0,0|1,0,1]=4 699 B6R0.6 C#CCOCCO 34a_100000210247_100000211926 [0,1,1,0,0,0|0,0,1]=3 700 B6R0.6 C#CCOCSC 34a_100000210247_100011218213 [0,1,1,0,0,0|1,0,1]=4 701 B6R0.6 C#CCSCCO 62a_100000038162_100000211926 [0,1,1,0,0,0|0,1,1]=4 702 B6R0.6 C#CCSCOC 62a_100000038162_100000766300 [0,1,1,0,0,0|1,0,1]=4 703 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [0,1,1,0,0,0|1,0,0]=3 704 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [0,1,1,0,0,0|1,0,0]=3 705 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [0,1,1,0,0,0|1,0,1]=4 706 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [0,1,1,0,0,0|1,0,1]=4 707 B6R0.6 C/C=C/COCF 34a_100016270725_100015361967 [0,1,1,0,0,0|1,0,1]=4 708 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [0,1,1,0,0,0|1,0,1]=4 709 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [0,1,1,0,0,0|1,0,1]=4 710 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [0,1,1,0,0,0|1,0,1]=4 711 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [0,1,1,0,0,0|1,0,1]=4 712 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [0,1,1,0,0,0|1,0,1]=4 713 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [0,1,1,0,0,0|2,0,0]=4 714 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [0,1,1,0,0,0|2,0,0]=4 715 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [0,1,1,0,0,0|1,0,0]=3 716 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [0,1,1,0,0,0|1,0,0]=3 717 B6R0.6 C=CCCOCF 34a_100011205117_100015361967 [0,1,1,0,0,0|1,0,1]=4 718 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [0,1,1,0,0,0|1,1,0]=4 719 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [0,1,1,0,0,0|1,1,0]=4 720 B6R0.6 C=CCNCCO 2230a_100016997473_100000210623 [0,1,1,0,0,0|1,0,1]=4 721 B6R0.6 C=CCNCCO 2230a_100020586998_100000211926 [0,1,1,0,0,0|1,0,1]=4 722 B6R0.6 C=CCNCCO 34a_100016990907_100015514636 [0,1,1,0,0,0|1,0,1]=4 723 B6R0.6 C=CCNCOC 2230a_100020586998_100000766300 [0,1,1,0,0,0|1,0,1]=4 724 B6R0.6 C=CCOCCBr 34a_100000211926_100015514636 [0,1,1,0,0,0|1,0,1]=4 725 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [0,1,1,0,0,0|1,0,1]=4 726 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [0,1,1,0,0,0|1,0,1]=4 727 B6R0.6 C=CCOCCF 34a_200000210373_100011217306 [0,1,1,0,0,0|1,0,1]=4 728 B6R0.6 C=CCOCCN 34a_100000210304_100015514636 [0,1,1,0,0,0|1,0,1]=4 729 B6R0.6 C=CCOCCO 34a_200000210373_100000211926 [0,1,1,0,0,0|0,0,1]=3 730 B6R0.6 C=CCOCSC 34a_200000210373_100011218213 [0,1,1,0,0,0|1,0,1]=4 731 B6R0.6 C=CCSCCO 62a_100000210623_100000211926 [0,1,1,0,0,0|0,1,1]=4 732 B6R0.6 C=CCSCCO 62a_100000211926_100000210623 [0,1,1,0,0,0|0,1,1]=4 733 B6R0.6 C=CCSCOC 62a_100000210623_100000766300 [0,1,1,0,0,0|1,0,1]=4 734 B6R0.6 C=CCSCOC 62a_100000766300_100000210623 [0,1,1,0,0,0|1,0,1]=4 735 B6R0.6 C=COCCNC 2230a_106832991635_100000039644 [0,1,1,0,0,0|1,0,1]=4 736 B6R0.6 C=COCCNC 34a_100102657272_100000039644 [0,1,1,0,0,0|1,0,1]=4 737 B6R0.6 C=COCCNC 7a_106832991635_100000039644 [0,1,1,0,0,0|1,0,1]=4 738 B6R0.6 C=COCCOC 34a_100000033082_200000210301 [0,1,1,0,0,0|0,0,1]=3 739 B6R0.6 C=COCCOC 34a_100138415774_100000039644 [0,1,1,0,0,0|0,0,1]=3 740 B6R0.6 C=COCCO[13CH3] 34a_100000033082_200025704644 [0,1,1,0,0,0|0,0,1]=3 741 B6R0.6 C=COCCSC 62a_100000039644_200000210301 [0,1,1,0,0,0|0,1,1]=4 742 B6R0.6 C=COCCSC 62a_200000210301_100000039644 [0,1,1,0,0,0|0,1,1]=4 743 B6R0.6 C=COCCS[13CH3] 62a_100000039644_200025704644 [0,1,1,0,0,0|0,1,1]=4 744 B6R0.6 C=COCCS[13CH3] 62a_200025704644_100000039644 [0,1,1,0,0,0|0,1,1]=4 745 B6R0.6 CC#CCCOC 34a_100000750427_200000210301 [0,1,1,0,0,0|1,0,0]=3 746 B6R0.6 CC#CCCO[13CH3] 34a_100000750427_200025704644 [0,1,1,0,0,0|1,0,0]=3 747 B6R0.6 CC#CCOCC 34a_100000761923_100000210202 [0,1,1,0,0,0|1,0,1]=4 748 B6R0.6 CC#CCOCC 34a_100121572206_100000748600 [0,1,1,0,0,0|1,0,1]=4 749 B6R0.6 CC#CCOCF 34a_100000761923_100015361967 [0,1,1,0,0,0|1,0,1]=4 750 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [0,1,1,0,0,0|1,0,1]=4 751 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [0,1,1,0,0,0|1,0,1]=4 752 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [0,1,1,0,0,0|1,0,1]=4 753 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [0,1,1,0,0,0|1,0,1]=4 754 B6R0.6 CC=NNCCO 4a_100000210001_200000210099 [0,1,1,0,0,0|1,0,1]=4 755 B6R0.6 CCC#CCOC 34a_100000032950_200000210301 [0,1,1,0,0,0|1,0,1]=4 756 B6R0.6 CCC#CCOC 34a_100138415774_100009813939 [0,1,1,0,0,0|1,0,1]=4 757 B6R0.6 CCC#CCO[13CH3] 34a_100000032950_200025704644 [0,1,1,0,0,0|1,0,1]=4 758 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [0,1,1,0,0,0|2,0,0]=4 759 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [0,1,1,0,0,0|2,0,0]=4 760 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [0,1,1,0,0,0|2,0,0]=4 761 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [0,1,1,0,0,0|2,0,0]=4 762 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [0,1,1,0,0,0|2,0,0]=4 763 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [0,1,1,0,0,0|1,0,0]=3 764 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [0,1,1,0,0,0|1,0,0]=3 765 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [0,1,1,0,0,0|1,0,0]=3 766 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [0,1,1,0,0,0|1,0,0]=3 767 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [0,1,1,0,0,0|1,0,0]=3 768 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [0,1,1,0,0,0|1,1,0]=4 769 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [0,1,1,0,0,0|1,1,0]=4 770 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [0,1,1,0,0,0|1,1,0]=4 771 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [0,1,1,0,0,0|1,1,0]=4 772 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [0,1,1,0,0,0|2,0,0]=4 773 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [0,1,1,0,0,0|2,0,0]=4 774 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [0,1,1,0,0,0|2,0,0]=4 775 B6R0.6 CCCCNCF 7a_106832991798_100015361967 [0,1,1,0,0,0|2,0,0]=4 776 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [0,1,1,0,0,0|1,0,0]=3 777 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [0,1,1,0,0,0|1,0,0]=3 778 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [0,1,1,0,0,0|1,0,0]=3 779 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [0,1,1,0,0,0|1,0,0]=3 780 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [0,1,1,0,0,0|1,0,0]=3 781 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [0,1,1,0,0,0|1,1,0]=4 782 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [0,1,1,0,0,0|1,1,0]=4 783 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [0,1,1,0,0,0|1,1,0]=4 784 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [0,1,1,0,0,0|1,1,0]=4 785 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [0,1,1,0,0,0|2,0,0]=4 786 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [0,1,1,0,0,0|1,0,0]=3 787 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [0,1,1,0,0,0|1,0,0]=3 788 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [0,1,1,0,0,0|0,0,2]=4 789 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [0,1,1,0,0,0|1,0,0]=3 790 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [0,1,1,0,0,0|1,0,0]=3 791 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [0,1,1,0,0,0|1,0,0]=3 792 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [0,1,1,0,0,0|1,0,0]=3 793 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [0,1,1,0,0,0|0,0,0]=2 794 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [0,1,1,0,0,0|1,0,0]=3 795 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [0,1,1,0,0,0|1,1,0]=4 796 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [0,1,1,0,0,0|1,1,0]=4 797 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [0,1,1,0,0,0|1,1,0]=4 798 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [0,1,1,0,0,0|0,1,0]=3 799 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [0,1,1,0,0,0|0,1,0]=3 800 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [0,1,1,0,0,0|1,0,0]=3 801 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [0,1,1,0,0,0|1,0,0]=3 802 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [0,1,1,0,0,0|1,1,0]=4 803 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [0,1,1,0,0,0|1,1,0]=4 804 B6R0.6 CCNCCC#N 2230a_100015525214_100011215226 [0,1,1,0,0,0|2,0,0]=4 805 B6R0.6 CCNCCCF 2230a_100015189416_100000210202 [0,1,1,0,0,0|2,0,0]=4 806 B6R0.6 CCNCCCF 2230a_100015525214_100011934791 [0,1,1,0,0,0|2,0,0]=4 807 B6R0.6 CCNCCCF 34a_100015189416_100000210202 [0,1,1,0,0,0|2,0,0]=4 808 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [0,1,1,0,0,0|1,0,0]=3 809 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [0,1,1,0,0,0|1,0,0]=3 810 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [0,1,1,0,0,0|1,0,0]=3 811 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [0,1,1,0,0,0|1,1,0]=4 812 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [0,1,1,0,0,0|1,1,0]=4 813 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [0,1,1,0,0,0|1,0,0]=3 814 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [0,1,1,0,0,0|1,0,0]=3 815 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [0,1,1,0,0,0|1,0,0]=3 816 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [0,1,1,0,0,0|1,0,0]=3 817 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [0,1,1,0,0,0|1,0,0]=3 818 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [0,1,1,0,0,0|0,0,0]=2 819 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [0,1,1,0,0,0|1,0,0]=3 820 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [0,1,1,0,0,0|1,0,0]=3 821 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [0,1,1,0,0,0|1,0,0]=3 822 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [0,1,1,0,0,0|1,0,0]=3 823 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [0,1,1,0,0,0|1,0,0]=3 824 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [0,1,1,0,0,0|1,0,0]=3 825 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [0,1,1,0,0,0|1,0,0]=3 826 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [0,1,1,0,0,0|0,0,0]=2 827 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [0,1,1,0,0,0|0,0,0]=2 828 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [0,1,1,0,0,0|0,0,0]=2 829 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [0,1,1,0,0,0|0,0,0]=2 830 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [0,1,1,0,0,0|0,0,0]=2 831 B6R0.6 CCOCCON 34a_100000700252_100000210202 [0,1,1,0,0,0|0,0,0]=2 832 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [0,1,1,0,0,0|0,0,0]=2 833 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [0,1,1,0,0,0|0,0,0]=2 834 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [0,1,1,0,0,0|0,1,0]=3 835 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [0,1,1,0,0,0|0,1,0]=3 836 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [0,1,1,0,0,0|0,1,0]=3 837 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [0,1,1,0,0,0|0,1,0]=3 838 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [0,1,1,0,0,0|0,1,0]=3 839 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [0,1,1,0,0,0|0,1,0]=3 840 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [0,1,1,0,0,0|0,1,0]=3 841 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [0,1,1,0,0,0|1,0,0]=3 842 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [0,1,1,0,0,0|1,0,0]=3 843 B6R0.6 CCOCSCF 62a_100000739092_100015361967 [0,1,1,0,0,0|1,0,0]=3 844 B6R0.6 CCOCSCF 62a_100015361967_100000739092 [0,1,1,0,0,0|1,0,0]=3 845 B6R0.6 CCSCCC#N 62a_100000210202_100011215226 [0,1,1,0,0,0|1,1,0]=4 846 B6R0.6 CCSCCC#N 62a_100011215226_100000210202 [0,1,1,0,0,0|1,1,0]=4 847 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [0,1,1,0,0,0|1,1,0]=4 848 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [0,1,1,0,0,0|1,1,0]=4 849 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [0,1,1,0,0,0|0,1,0]=3 850 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [0,1,1,0,0,0|0,1,0]=3 851 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [0,1,1,0,0,0|1,1,0]=4 852 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [0,1,1,0,0,0|1,1,0]=4 853 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [0,1,1,0,0,0|1,1,0]=4 854 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [0,1,1,0,0,0|1,1,0]=4 855 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [0,1,1,0,0,0|1,1,0]=4 856 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [0,1,1,0,0,0|0,1,0]=3 857 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [0,1,1,0,0,0|0,1,0]=3 858 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [0,1,1,0,0,0|0,1,0]=3 859 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [0,1,1,0,0,0|0,1,0]=3 860 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [0,1,1,0,0,0|0,1,0]=3 861 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [0,1,1,0,0,0|0,1,0]=3 862 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [0,1,1,0,0,0|0,1,0]=3 863 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [0,1,1,0,0,0|0,2,0]=4 864 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [0,1,1,0,0,0|0,2,0]=4 865 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [0,1,1,0,0,0|0,2,0]=4 866 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [0,1,1,0,0,0|0,2,0]=4 867 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [0,1,1,0,0,0|0,2,0]=4 868 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [0,1,1,0,0,0|0,2,0]=4 869 B6R0.6 CNCC#CCO 2230a_106832991635_200000047223 [0,1,1,0,0,0|1,0,1]=4 870 B6R0.6 CNCC#CCO 34a_100102657272_200000047223 [0,1,1,0,0,0|1,0,1]=4 871 B6R0.6 CNCC#CCO 7a_106832991635_200000047223 [0,1,1,0,0,0|1,0,1]=4 872 B6R0.6 CNCCCCF 2230a_106832991635_100000729493 [0,1,1,0,0,0|2,0,0]=4 873 B6R0.6 CNCCCCF 34a_100102657272_100000729493 [0,1,1,0,0,0|2,0,0]=4 874 B6R0.6 CNCCCCF 7a_106832991635_100000729493 [0,1,1,0,0,0|2,0,0]=4 875 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [0,1,1,0,0,0|1,0,0]=3 876 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [0,1,1,0,0,0|1,0,0]=3 877 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [0,1,1,0,0,0|1,0,0]=3 878 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [0,1,1,0,0,0|1,0,0]=3 879 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [0,1,1,0,0,0|1,0,0]=3 880 B6R0.6 CNCCCOC 2230a_106832991635_100000740836 [0,1,1,0,0,0|1,0,0]=3 881 B6R0.6 CNCCCOC 34a_100000213112_200000210301 [0,1,1,0,0,0|1,0,0]=3 882 B6R0.6 CNCCCOC 34a_100102657272_100000740836 [0,1,1,0,0,0|1,0,0]=3 883 B6R0.6 CNCCCOC 34a_100150723488_200000210301 [0,1,1,0,0,0|1,0,0]=3 884 B6R0.6 CNCCCOC 7a_106832991635_100000740836 [0,1,1,0,0,0|1,0,0]=3 885 B6R0.6 CNCCCO[13CH3] 34a_100000213112_200025704644 [0,1,1,0,0,0|1,0,0]=3 886 B6R0.6 CNCCCSC 2230a_100000749238_200000210301 [0,1,1,0,0,0|1,1,0]=4 887 B6R0.6 COCC#CCCl 34a_200000047223_200000210301 [0,1,1,0,0,0|1,0,1]=4 888 B6R0.6 COCC#CCO 34a_100138415774_200000047223 [0,1,1,0,0,0|1,0,1]=4 889 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [0,1,1,0,0,0|1,0,0]=3 890 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [0,1,1,0,0,0|1,0,0]=3 891 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [0,1,1,0,0,0|1,0,0]=3 892 B6R0.6 COCCCCF 34a_100011995726_200000210301 [0,1,1,0,0,0|1,0,0]=3 893 B6R0.6 COCCCCF 34a_100138415774_100000729493 [0,1,1,0,0,0|1,0,0]=3 894 B6R0.6 COCCCCF 7a_100011995726_200000210301 [0,1,1,0,0,0|1,0,0]=3 895 B6R0.6 COCCCCI 34a_200012148704_200000210301 [0,1,1,0,0,0|1,0,0]=3 896 B6R0.6 COCCCCN 34a_100000750430_200000210301 [0,1,1,0,0,0|1,0,0]=3 897 B6R0.6 COCCCCO 34a_100138415774_100011216708 [0,1,1,0,0,0|1,0,0]=3 898 B6R0.6 COCCCN[13CH3] 34a_100150723488_200025704644 [0,1,1,0,0,0|1,0,0]=3 899 B6R0.6 COCCCOC 34a_100000740835_200000210301 [0,1,1,0,0,0|0,0,0]=2 900 B6R0.6 COCCCOC 34a_100138415774_100000740836 [0,1,1,0,0,0|0,0,0]=2 901 B6R0.6 COCCCO[13CH3] 34a_100000740835_200025704644 [0,1,1,0,0,0|0,0,0]=2 902 B6R0.6 COCCCSC 34a_100000690336_200000210301 [0,1,1,0,0,0|0,1,0]=3 903 B6R0.6 COCCCSC 62a_100000709357_200000210301 [0,1,1,0,0,0|0,1,0]=3 904 B6R0.6 COCCCSC 62a_200000210301_100000709357 [0,1,1,0,0,0|0,1,0]=3 905 B6R0.6 COCCCSC 7a_100000690336_200000210301 [0,1,1,0,0,0|0,1,0]=3 906 B6R0.6 COCCCS[13CH3] 62a_100000709357_200025704644 [0,1,1,0,0,0|0,1,0]=3 907 B6R0.6 COCCCS[13CH3] 62a_200025704644_100000709357 [0,1,1,0,0,0|0,1,0]=3 908 B6R0.6 COCCOCF 34a_100000210237_100015361967 [0,1,1,0,0,0|0,0,0]=2 909 B6R0.6 COCCSCF 62a_100000233755_100015361967 [0,1,1,0,0,0|0,1,0]=3 910 B6R0.6 COCCSCF 62a_100015361967_100000233755 [0,1,1,0,0,0|0,1,0]=3 911 B6R0.6 COCNCCO 2230a_100016997473_100000766300 [0,1,1,0,0,0|1,0,0]=3 912 B6R0.6 COCSCC#N 62a_100000766300_100011215382 [0,1,1,0,0,0|2,0,0]=4 913 B6R0.6 COCSCC#N 62a_100011215382_100000766300 [0,1,1,0,0,0|2,0,0]=4 914 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [0,1,1,0,0,0|2,0,0]=4 915 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [0,1,1,0,0,0|2,0,0]=4 916 B6R0.6 COCSCCF 62a_100000766300_100011217306 [0,1,1,0,0,0|1,1,0]=4 917 B6R0.6 COCSCCF 62a_100011217306_100000766300 [0,1,1,0,0,0|1,1,0]=4 918 B6R0.6 COCSCCO 62a_100000211926_100000766300 [0,1,1,0,0,0|0,1,0]=3 919 B6R0.6 COCSCCO 62a_100000766300_100000211926 [0,1,1,0,0,0|0,1,0]=3 920 B6R0.6 COCSCOC 62a_100000766300_100000766300 [0,1,1,0,0,0|0,0,0]=2 921 B6R0.6 COCSCSC 62a_100000766300_100011218213 [0,1,1,0,0,0|0,1,0]=3 922 B6R0.6 COCSCSC 62a_100011218213_100000766300 [0,1,1,0,0,0|0,1,0]=3 923 B6R0.6 CSCC#CCO 62a_200000047223_200000210301 [0,1,1,0,0,0|1,0,1]=4 924 B6R0.6 CSCC#CCO 62a_200000210301_200000047223 [0,1,1,0,0,0|1,0,1]=4 925 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [0,1,1,0,0,0|1,1,0]=4 926 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [0,1,1,0,0,0|1,1,0]=4 927 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [0,1,1,0,0,0|1,0,0]=3 928 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [0,1,1,0,0,0|1,0,0]=3 929 B6R0.6 CSCCCN[13CH3] 2230a_100000749238_200025704644 [0,1,1,0,0,0|1,1,0]=4 930 B6R0.6 CSCCCO[13CH3] 34a_100000690336_200025704644 [0,1,1,0,0,0|0,1,0]=3 931 B6R0.6 CSCCCO[13CH3] 7a_100000690336_200025704644 [0,1,1,0,0,0|0,1,0]=3 932 B6R0.6 CSCCOCF 34a_100000230434_100015361967 [0,1,1,0,0,0|0,1,0]=3 933 B6R0.6 CSCCOCF 7a_100000230434_100015361967 [0,1,1,0,0,0|0,1,0]=3 934 B6R0.6 CSCCSCF 62a_100000212216_100015361967 [0,1,1,0,0,0|0,2,0]=4 935 B6R0.6 CSCCSCF 62a_100015361967_100000751147 [0,1,1,0,0,0|0,2,0]=4 936 B6R0.6 CSCNCCF 34a_100000724931_100011218213 [0,1,1,0,0,0|2,0,0]=4 937 B6R0.6 CSCNCCO 2230a_100016997473_100011218213 [0,1,1,0,0,0|1,0,0]=3 938 B6R0.6 CSCNCCO 34a_100016990907_100011218213 [0,1,1,0,0,0|1,0,0]=3 939 B6R0.6 CSCOCCBr 34a_100000211926_100011218213 [0,1,1,0,0,0|1,0,0]=3 940 B6R0.6 CSCOCCN 34a_100000210304_100011218213 [0,1,1,0,0,0|1,0,0]=3 941 B6R0.6 CSCSCCF 62a_100011217306_100011218213 [0,1,1,0,0,0|1,1,0]=4 942 B6R0.6 CSCSCCF 62a_100011218213_100011217306 [0,1,1,0,0,0|1,1,0]=4 943 B6R0.6 CSCSCCO 62a_100000211926_100011218213 [0,1,1,0,0,0|0,1,0]=3 944 B6R0.6 CSCSCCO 62a_100011218213_100000211926 [0,1,1,0,0,0|0,1,0]=3 945 B6R0.6 CSCSCSC 62a_100011218213_100011218213 [0,1,1,0,0,0|0,2,0]=4 946 B6R0.6 FCCCOCF 34a_100000759539_100015361967 [0,1,1,0,0,0|2,0,0]=4 947 B6R0.6 FCCNCCF 34a_100000724931_100011217306 [0,1,1,0,0,0|2,0,0]=4 948 B6R0.6 FCCOCCBr 34a_100000211926_100011217306 [0,1,1,0,0,0|1,0,0]=3 949 B6R0.6 FCCSCCF 62a_100011217306_100011217306 [0,1,1,0,0,0|1,1,0]=4 950 B6R0.6 FCOCCCBr 34a_100011217188_100015361967 [0,1,1,0,0,0|2,0,0]=4 951 B6R0.6 FCOCCCCl 34a_100000230001_100015361967 [0,1,1,0,0,0|2,0,0]=4 952 B6R0.6 N#CCNCCO 2230a_100016997473_100011215382 [0,1,1,0,0,0|1,0,1]=4 953 B6R0.6 N#CCSCCO 62a_100000211926_100011215382 [0,1,1,0,0,0|0,1,1]=4 954 B6R0.6 N#CCSCCO 62a_100011215382_100000211926 [0,1,1,0,0,0|0,1,1]=4 955 B6R0.6 NCCCOCF 34a_100000182051_100015361967 [0,1,1,0,0,0|2,0,0]=4 956 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [0,1,1,0,0,0|0,0,2]=4 957 B6R0.6 NCCOCCF 34a_100000210304_100011217306 [0,1,1,0,0,0|1,0,0]=3 958 B6R0.6 NCCOCCO 34a_100000210304_100000211926 [0,1,1,0,0,0|0,0,0]=2 959 B6R0.6 NOCCOCF 34a_100000700252_100015361967 [0,1,1,0,0,0|1,0,0]=3 960 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [0,1,1,0,0,0|1,0,1]=4 961 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [0,1,1,0,0,0|1,0,1]=4 962 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [0,1,1,0,0,0|0,0,2]=4 963 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [0,1,1,0,0,0|0,1,1]=4 964 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [0,1,1,0,0,0|0,1,1]=4 965 B6R0.6 OCCCSCF 62a_100011215043_100015361967 [0,1,1,0,0,0|1,1,0]=4 966 B6R0.6 OCCCSCF 62a_100015361967_100011215043 [0,1,1,0,0,0|1,1,0]=4 967 B6R0.6 OCCNCCF 2230a_100016997473_100011217306 [0,1,1,0,0,0|1,0,0]=3 968 B6R0.6 OCCNCCF 34a_100000724931_100000211926 [0,1,1,0,0,0|1,0,0]=3 969 B6R0.6 OCCNCCF 34a_100016990907_100011217306 [0,1,1,0,0,0|1,0,0]=3 970 B6R0.6 OCCNCCO 2230a_100016997473_100000211926 [0,1,1,0,0,0|1,0,0]=3 971 B6R0.6 OCCNCCO 34a_100016990907_100000211926 [0,1,1,0,0,0|1,0,0]=3 972 B6R0.6 OCCOCCBr 34a_100000211926_100000211926 [0,1,1,0,0,0|0,0,0]=2 973 B6R0.6 OCCSCCF 62a_100000211926_100011217306 [0,1,1,0,0,0|0,1,0]=3 974 B6R0.6 OCCSCCF 62a_100011217306_100000211926 [0,1,1,0,0,0|0,1,0]=3 975 B6R0.6 OCCSCCO 62a_100000211926_100000211926 [0,1,1,0,0,0|0,1,0]=3 976 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [0,1,1,0,0,0|1,0,0]=3 977 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [0,1,1,0,0,0|1,0,0]=3 978 B6R0.6 [13CH3]OCC#CCCl 34a_200000047223_200025704644 [0,1,1,0,0,0|1,0,1]=4 979 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [0,1,1,0,0,0|1,0,0]=3 980 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [0,1,1,0,0,0|1,0,0]=3 981 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [0,1,1,0,0,0|1,0,0]=3 982 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [0,1,1,0,0,0|1,0,0]=3 983 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [0,1,1,0,0,0|1,0,0]=3 984 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [0,1,1,0,0,0|1,0,0]=3 985 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [0,1,1,0,0,0|1,0,0]=3 986 B6R0.6 [13CH3]SCC#CCO 62a_200000047223_200025704644 [0,1,1,0,0,0|1,0,1]=4 987 B6R0.6 [13CH3]SCC#CCO 62a_200025704644_200000047223 [0,1,1,0,0,0|1,0,1]=4 988 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [0,1,1,0,0,0|1,1,0]=4 989 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [0,1,1,0,0,0|1,1,0]=4 990 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [0,1,1,0,0,0|1,0,0]=3 991 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [0,1,1,0,0,0|1,0,0]=3 992 B6R1.2 CN1CCCC1 2230a_100000188435_200000210301 [0,1,0,0,1,0|1,0,0]=3 993 B6R1.2 CN1CCCC1 269982a_100000188435_200000210301 [0,1,0,0,1,0|1,0,0]=3 994 B6R1.2 CN1CCSC1 2230a_100011215254_200000210301 [0,1,0,0,1,0|1,1,0]=4 995 B6R1.2 CN1CCSC1 269982a_100011215254_200000210301 [0,1,0,0,1,0|1,1,0]=4 996 B6R1.2 [13CH3]N1CCCC1 2230a_100000188435_200025704644 [0,1,0,0,1,0|1,0,0]=3 997 B6R1.2 [13CH3]N1CCCC1 269982a_100000188435_200025704644 [0,1,0,0,1,0|1,0,0]=3 998 B6R1.2 [13CH3]N1CCSC1 2230a_100011215254_200025704644 [0,1,0,0,1,0|1,1,0]=4 999 B6R1.2 [13CH3]N1CCSC1 269982a_100011215254_200025704644 [0,1,0,0,1,0|1,1,0]=4 1000 B8R1.22 CN1CCCCCC1 2230a_100000185865_200000210301 [0,1,0,0,0,1|2,0,0]=4 1001 B8R1.22 CN1CCCCCC1 269982a_100000185865_200000210301 [0,1,0,0,0,1|2,0,0]=4 1002 B8R1.22 CN1CCCCCC1 34a_100000185865_200000210301 [0,1,0,0,0,1|2,0,0]=4 1003 B8R1.22 CN1CCCOCC1 2230a_100000685342_200000210301 [0,1,0,0,0,1|1,0,0]=3 1004 B8R1.22 CN1CCCOCC1 269982a_100000685342_200000210301 [0,1,0,0,0,1|1,0,0]=3 1005 B8R1.22 CN1CCCOCC1 34a_100000685342_200000210301 [0,1,0,0,0,1|1,0,0]=3 1006 B8R1.22 [13CH3]N1CCCCCC1 2230a_100000185865_200025704644 [0,1,0,0,0,1|2,0,0]=4 1007 B8R1.22 [13CH3]N1CCCCCC1 269982a_100000185865_200025704644 [0,1,0,0,0,1|2,0,0]=4 1008 B8R1.22 [13CH3]N1CCCCCC1 34a_100000185865_200025704644 [0,1,0,0,0,1|2,0,0]=4 1009 B8R1.22 [13CH3]N1CCCOCC1 2230a_100000685342_200025704644 [0,1,0,0,0,1|1,0,0]=3 1010 B8R1.22 [13CH3]N1CCCOCC1 269982a_100000685342_200025704644 [0,1,0,0,0,1|1,0,0]=3 1011 B8R1.22 [13CH3]N1CCCOCC1 34a_100000685342_200025704644 [0,1,0,0,0,1|1,0,0]=3 1012 B8R1.2 CCN1CCCOC1 2230a_100000131196_100000210202 [0,2,0,0,0,0|2,0,0]=4 1013 B8R1.2 CCN1CCCOC1 269982a_100000131196_100000204670 [0,2,0,0,0,0|2,0,0]=4 1014 B8R1.2 CCN1CCCOC1 34a_100000131196_100000210202 [0,2,0,0,0,0|2,0,0]=4 1015 B8R1.2 CCN1CCOCC1 2230a_100015191051_100000210202 [0,2,0,0,0,0|1,0,0]=3 1016 B8R1.2 CCN1CCOCC1 269982a_100015191051_100000204670 [0,2,0,0,0,0|1,0,0]=3 1017 B8R1.2 CCN1CCOCC1 34a_100015191051_100000210202 [0,2,0,0,0,0|1,0,0]=3 1018 B8R1.2 CCN1CCSCC1 2230a_100000737611_100000210202 [0,2,0,0,0,0|1,1,0]=4 1019 B8R1.2 CCN1CCSCC1 269982a_100000737611_100000204670 [0,2,0,0,0,0|1,1,0]=4 1020 B8R1.2 CNC1CCCCC1 2230a_100000182618_200000210301 [0,2,0,0,0,0|2,0,0]=4 1021 B8R1.2 CNC1CCCCC1 270004a_106832991635_100000210434 [0,2,0,0,0,0|2,0,0]=4 1022 B8R1.2 CNC1CCCCC1 34a_100000182618_200000210301 [0,2,0,0,0,0|2,0,0]=4 1023 B8R1.2 CNC1CCCCC1 34a_100102657272_100000210327 [0,2,0,0,0,0|2,0,0]=4 1024 B8R1.2 CNC1CCCCC1 7a_106832991635_100000210327 [0,2,0,0,0,0|2,0,0]=4 1025 B8R1.2 CNC1CCCOC1 2230a_100000719290_200000210301 [0,2,0,0,0,0|1,0,0]=3 1026 B8R1.2 CNC1CCCOC1 270004a_106832991635_100000753404 [0,2,0,0,0,0|1,0,0]=3 1027 B8R1.2 CNC1CCCOC1 34a_100000719290_200000210301 [0,2,0,0,0,0|1,0,0]=3 1028 B8R1.2 CNC1CCCOC1 34a_100102657272_100000693364 [0,2,0,0,0,0|1,0,0]=3 1029 B8R1.2 CNC1CCCOC1 7a_106832991635_100000693364 [0,2,0,0,0,0|1,0,0]=3 1030 B8R1.2 CNC1CCCSC1 270004a_106832991635_100000057913 [0,2,0,0,0,0|1,1,0]=4 1031 B8R1.2 CNC1CCNCC1 270004a_106832991635_100015192401 [0,2,0,0,0,0|2,0,0]=4 1032 B8R1.2 CNC1CCOCC1 2230a_100000741149_200000210301 [0,2,0,0,0,0|1,0,0]=3 1033 B8R1.2 CNC1CCOCC1 270004a_106832991635_100011217826 [0,2,0,0,0,0|1,0,0]=3 1034 B8R1.2 CNC1CCOCC1 34a_100000741149_200000210301 [0,2,0,0,0,0|1,0,0]=3 1035 B8R1.2 CNC1CCOCC1 7a_106832991635_100000686592 [0,2,0,0,0,0|1,0,0]=3 1036 B8R1.2 CNC1CCSCC1 2230a_100000748639_200000210301 [0,2,0,0,0,0|1,1,0]=4 1037 B8R1.2 CNC1CCSCC1 270004a_106832991635_100000203788 [0,2,0,0,0,0|1,1,0]=4 1038 B8R1.2 CNC1CCSCC1 34a_100000748639_200000210301 [0,2,0,0,0,0|1,1,0]=4 1039 B8R1.2 CNC1CCSCC1 34a_100102657272_100000069128 [0,2,0,0,0,0|1,1,0]=4 1040 B8R1.2 CNC1CCSCC1 7a_106832991635_100011500858 [0,2,0,0,0,0|1,1,0]=4 1041 B8R1.2 COC1CCCCC1 34a_100000210231_200000210301 [0,2,0,0,0,0|2,0,0]=4 1042 B8R1.2 COC1CCCCC1 34a_100138415774_100000210327 [0,2,0,0,0,0|2,0,0]=4 1043 B8R1.2 COC1CCCCC1 7a_100000210231_200000210301 [0,2,0,0,0,0|2,0,0]=4 1044 B8R1.2 COC1CCCCO1 34a_100000033831_200000210301 [0,2,0,0,0,0|1,0,0]=3 1045 B8R1.2 COC1CCCOC1 34a_100000754041_200000210301 [0,2,0,0,0,0|1,0,0]=3 1046 B8R1.2 COC1CCCOC1 34a_100138415774_100000693364 [0,2,0,0,0,0|1,0,0]=3 1047 B8R1.2 COC1CCCSC1 7a_100015962668_200000210301 [0,2,0,0,0,0|1,1,0]=4 1048 B8R1.2 COC1CCOCC1 34a_100000744328_200000210301 [0,2,0,0,0,0|1,0,0]=3 1049 B8R1.2 COC1CCSCC1 34a_100000731022_200000210301 [0,2,0,0,0,0|1,1,0]=4 1050 B8R1.2 COC1CCSCC1 34a_100138415774_100000069128 [0,2,0,0,0,0|1,1,0]=4 1051 B8R1.2 COC1CCSCC1 7a_100000731022_200000210301 [0,2,0,0,0,0|1,1,0]=4 1052 B8R1.2 CSC1CCCCC1 62a_100000210327_200000210301 [0,2,0,0,0,0|2,0,0]=4 1053 B8R1.2 CSC1CCCCC1 62a_200000210301_100000210327 [0,2,0,0,0,0|2,0,0]=4 1054 B8R1.2 CSC1CCCOC1 62a_200000210301_100000693364 [0,2,0,0,0,0|1,0,0]=3 1055 B8R1.2 CSC1CCOCC1 62a_200000210301_100011324220 [0,2,0,0,0,0|1,0,0]=3 1056 B8R1.2 CSC1CCSCC1 62a_200000210301_100000069128 [0,2,0,0,0,0|1,1,0]=4 1057 B8R1.2 FCN1CCCOC1 269982a_100000131196_100015361967 [0,2,0,0,0,0|2,0,0]=4 1058 B8R1.2 FCN1CCCOC1 34a_100000131196_100015361967 [0,2,0,0,0,0|2,0,0]=4 1059 B8R1.2 FCN1CCOCC1 269982a_100015191051_100015361967 [0,2,0,0,0,0|1,0,0]=3 1060 B8R1.2 FCN1CCOCC1 34a_100015191051_100015361967 [0,2,0,0,0,0|1,0,0]=3 1061 B8R1.2 FCN1CCSCC1 269982a_100000737611_100015361967 [0,2,0,0,0,0|1,1,0]=4 1062 B8R1.2 [13CH3]NC1CCCCC1 2230a_100000182618_200025704644 [0,2,0,0,0,0|2,0,0]=4 1063 B8R1.2 [13CH3]NC1CCCCC1 34a_100000182618_200025704644 [0,2,0,0,0,0|2,0,0]=4 1064 B8R1.2 [13CH3]NC1CCCOC1 2230a_100000719290_200025704644 [0,2,0,0,0,0|1,0,0]=3 1065 B8R1.2 [13CH3]NC1CCCOC1 34a_100000719290_200025704644 [0,2,0,0,0,0|1,0,0]=3 1066 B8R1.2 [13CH3]NC1CCOCC1 2230a_100000741149_200025704644 [0,2,0,0,0,0|1,0,0]=3 1067 B8R1.2 [13CH3]NC1CCOCC1 34a_100000741149_200025704644 [0,2,0,0,0,0|1,0,0]=3 1068 B8R1.2 [13CH3]NC1CCSCC1 2230a_100000748639_200025704644 [0,2,0,0,0,0|1,1,0]=4 1069 B8R1.2 [13CH3]NC1CCSCC1 34a_100000748639_200025704644 [0,2,0,0,0,0|1,1,0]=4 1070 B8R1.2 [13CH3]OC1CCCCC1 34a_100000210231_200025704644 [0,2,0,0,0,0|2,0,0]=4 1071 B8R1.2 [13CH3]OC1CCCCC1 7a_100000210231_200025704644 [0,2,0,0,0,0|2,0,0]=4 1072 B8R1.2 [13CH3]OC1CCCCO1 34a_100000033831_200025704644 [0,2,0,0,0,0|1,0,0]=3 1073 B8R1.2 [13CH3]OC1CCCOC1 34a_100000754041_200025704644 [0,2,0,0,0,0|1,0,0]=3 1074 B8R1.2 [13CH3]OC1CCCSC1 7a_100015962668_200025704644 [0,2,0,0,0,0|1,1,0]=4 1075 B8R1.2 [13CH3]OC1CCOCC1 34a_100000744328_200025704644 [0,2,0,0,0,0|1,0,0]=3 1076 B8R1.2 [13CH3]OC1CCSCC1 34a_100000731022_200025704644 [0,2,0,0,0,0|1,1,0]=4 1077 B8R1.2 [13CH3]OC1CCSCC1 7a_100000731022_200025704644 [0,2,0,0,0,0|1,1,0]=4 1078 B8R1.2 [13CH3]SC1CCCCC1 62a_100000210327_200025704644 [0,2,0,0,0,0|2,0,0]=4 1079 B8R1.2 [13CH3]SC1CCCCC1 62a_200025704644_100000210327 [0,2,0,0,0,0|2,0,0]=4 1080 B8R1.2 [13CH3]SC1CCCOC1 62a_200025704644_100000693364 [0,2,0,0,0,0|1,0,0]=3 1081 B8R1.2 [13CH3]SC1CCOCC1 62a_200025704644_100011324220 [0,2,0,0,0,0|1,0,0]=3 1082 B8R1.2 [13CH3]SC1CCSCC1 62a_200025704644_100000069128 [0,2,0,0,0,0|1,1,0]=4 1083 B8R1.3 C=C1CCN(CC1)C 2230a_100000752442_200000210301 [0,2,0,0,0,0|2,0,0]=4 1084 B8R1.3 C=C1CCN(CC1)C 269982a_100000752442_200000210301 [0,2,0,0,0,0|2,0,0]=4 1085 B8R1.3 C=C1CCN(CC1)C 34a_100000752442_200000210301 [0,2,0,0,0,0|2,0,0]=4 1086 B8R1.3 C=C1CCN(CC1)[13CH3] 2230a_100000752442_200025704644 [0,2,0,0,0,0|2,0,0]=4 1087 B8R1.3 C=C1CCN(CC1)[13CH3] 269982a_100000752442_200025704644 [0,2,0,0,0,0|2,0,0]=4 1088 B8R1.3 C=C1CCN(CC1)[13CH3] 34a_100000752442_200025704644 [0,2,0,0,0,0|2,0,0]=4 1089 B8R1.3 CC1CCN(CC1)C 2230a_100000188429_200000210301 [0,2,0,0,0,0|2,0,0]=4 1090 B8R1.3 CC1CCN(CC1)C 269982a_100000188429_200000210301 [0,2,0,0,0,0|2,0,0]=4 1091 B8R1.3 CC1CCN(CC1)C 34a_100000188429_200000210301 [0,2,0,0,0,0|2,0,0]=4 1092 B8R1.3 CC1CCN(CC1)[13CH3] 2230a_100000188429_200025704644 [0,2,0,0,0,0|2,0,0]=4 1093 B8R1.3 CC1CCN(CC1)[13CH3] 269982a_100000188429_200025704644 [0,2,0,0,0,0|2,0,0]=4 1094 B8R1.3 CC1CCN(CC1)[13CH3] 34a_100000188429_200025704644 [0,2,0,0,0,0|2,0,0]=4 1095 B8R1.3 CN1CCC(CC1)F 2230a_100015193889_200000210301 [0,2,0,0,0,0|2,0,0]=4 1096 B8R1.3 CN1CCC(CC1)F 269982a_100015193889_200000210301 [0,2,0,0,0,0|2,0,0]=4 1097 B8R1.3 CN1CCC(CC1)F 34a_100015193889_200000210301 [0,2,0,0,0,0|2,0,0]=4 1098 B8R1.3 CN1CCC(CC1)O 2230a_100025773856_200000210301 [0,2,0,0,0,0|2,0,0]=4 1099 B8R1.3 CN1CCC(CC1)O 269982a_100025773856_200000210301 [0,2,0,0,0,0|2,0,0]=4 1100 B8R1.3 CN1CCN(CC1)C 2230a_100000188432_200000210301 [0,2,0,0,0,0|2,0,0]=4 1101 B8R1.3 CN1CCN(CC1)C 269982a_100000188432_200000210301 [0,2,0,0,0,0|2,0,0]=4 1102 B8R1.3 CN1CCN(CC1)[13CH3] 2230a_100000188432_200025704644 [0,2,0,0,0,0|2,0,0]=4 1103 B8R1.3 CN1CCN(CC1)[13CH3] 269982a_100000188432_200025704644 [0,2,0,0,0,0|2,0,0]=4 1104 B8R1.3 CN1CCS(=O)CC1 2230a_100000752083_200000210301 [0,2,0,0,0,0|1,1,0]=4 1105 B8R1.3 CN1CCS(=O)CC1 269982a_100000752083_200000210301 [0,2,0,0,0,0|1,1,0]=4 1106 B8R1.3 [13CH3]N1CCC(CC1)F 2230a_100015193889_200025704644 [0,2,0,0,0,0|2,0,0]=4 1107 B8R1.3 [13CH3]N1CCC(CC1)F 269982a_100015193889_200025704644 [0,2,0,0,0,0|2,0,0]=4 1108 B8R1.3 [13CH3]N1CCC(CC1)F 34a_100015193889_200025704644 [0,2,0,0,0,0|2,0,0]=4 1109 B8R1.3 [13CH3]N1CCC(CC1)O 2230a_100025773856_200025704644 [0,2,0,0,0,0|2,0,0]=4 1110 B8R1.3 [13CH3]N1CCC(CC1)O 269982a_100025773856_200025704644 [0,2,0,0,0,0|2,0,0]=4 1111 B8R1.3 [13CH3]N1CCS(=O)CC1 2230a_100000752083_200025704644 [0,2,0,0,0,0|1,1,0]=4 1112 B8R1.3 [13CH3]N1CCS(=O)CC1 269982a_100000752083_200025704644 [0,2,0,0,0,0|1,1,0]=4 1113 B8R1.4 CC1CN(CCO1)C 2230a_100000729577_200000210301 [0,2,0,0,0,0|1,0,0]=3 1114 B8R1.4 CC1CN(CCO1)C 269982a_100000729577_200000210301 [0,2,0,0,0,0|1,0,0]=3 1115 B8R1.4 CC1CN(CCO1)C 34a_100000729577_200000210301 [0,2,0,0,0,0|1,0,0]=3 1116 B8R1.4 CC1CN(CCO1)[13CH3] 2230a_100000729577_200025704644 [0,2,0,0,0,0|1,0,0]=3 1117 B8R1.4 CC1CN(CCO1)[13CH3] 269982a_100000729577_200025704644 [0,2,0,0,0,0|1,0,0]=3 1118 B8R1.4 CC1CN(CCO1)[13CH3] 34a_100000729577_200025704644 [0,2,0,0,0,0|1,0,0]=3 1119 B8R1.4 CN1CCCC(C1)F 2230a_100000697950_200000210301 [0,2,0,0,0,0|2,0,0]=4 1120 B8R1.4 CN1CCCC(C1)F 269982a_100000697950_200000210301 [0,2,0,0,0,0|2,0,0]=4 1121 B8R1.4 CN1CCCC(C1)F 34a_100000697950_200000210301 [0,2,0,0,0,0|2,0,0]=4 1122 B8R1.4 CN1CCCC(C1)O 2230a_100000211013_200000210301 [0,2,0,0,0,0|2,0,0]=4 1123 B8R1.4 CN1CCCC(C1)O 269982a_100000211013_200000210301 [0,2,0,0,0,0|2,0,0]=4 1124 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [0,2,0,0,0,0|1,0,1]=4 1125 B8R1.4 CN1CCOC(C1)O 2230a_100000688207_200000210301 [0,2,0,0,0,0|1,0,0]=3 1126 B8R1.4 CN1CCOC(C1)O 269982a_100000688207_200000210301 [0,2,0,0,0,0|1,0,0]=3 1127 B8R1.4 C[C@H]1CCCN(C1)C 2230a_100000717927_200000210301 [0,2,0,0,0,0|2,0,0]=4 1128 B8R1.4 C[C@H]1CCCN(C1)C 269982a_100000717927_200000210301 [0,2,0,0,0,0|2,0,0]=4 1129 B8R1.4 C[C@H]1CCCN(C1)C 34a_100000717927_200000210301 [0,2,0,0,0,0|2,0,0]=4 1130 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 2230a_100000717927_200025704644 [0,2,0,0,0,0|2,0,0]=4 1131 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 269982a_100000717927_200025704644 [0,2,0,0,0,0|2,0,0]=4 1132 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 34a_100000717927_200025704644 [0,2,0,0,0,0|2,0,0]=4 1133 B8R1.4 [13CH3]N1CCCC(C1)F 2230a_100000697950_200025704644 [0,2,0,0,0,0|2,0,0]=4 1134 B8R1.4 [13CH3]N1CCCC(C1)F 269982a_100000697950_200025704644 [0,2,0,0,0,0|2,0,0]=4 1135 B8R1.4 [13CH3]N1CCCC(C1)F 34a_100000697950_200025704644 [0,2,0,0,0,0|2,0,0]=4 1136 B8R1.4 [13CH3]N1CCCC(C1)O 2230a_100000211013_200025704644 [0,2,0,0,0,0|2,0,0]=4 1137 B8R1.4 [13CH3]N1CCCC(C1)O 269982a_100000211013_200025704644 [0,2,0,0,0,0|2,0,0]=4 1138 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [0,2,0,0,0,0|1,0,1]=4 1139 B8R1.4 [13CH3]N1CCOC(C1)O 2230a_100000688207_200025704644 [0,2,0,0,0,0|1,0,0]=3 1140 B8R1.4 [13CH3]N1CCOC(C1)O 269982a_100000688207_200025704644 [0,2,0,0,0,0|1,0,0]=3 1141 B8R1.5 CC1CCCCN1C 2230a_100000211376_200000210301 [0,2,0,0,0,0|2,0,0]=4 1142 B8R1.5 CC1CCCCN1C 269982a_100000211376_200000210301 [0,2,0,0,0,0|2,0,0]=4 1143 B8R1.5 CC1CCCCN1C 34a_100000211376_200000210301 [0,2,0,0,0,0|2,0,0]=4 1144 B8R1.5 CC1CCCCN1[13CH3] 2230a_100000211376_200025704644 [0,2,0,0,0,0|2,0,0]=4 1145 B8R1.5 CC1CCCCN1[13CH3] 269982a_100000211376_200025704644 [0,2,0,0,0,0|2,0,0]=4 1146 B8R1.5 CC1CCCCN1[13CH3] 34a_100000211376_200025704644 [0,2,0,0,0,0|2,0,0]=4 1147 B8R1.5 C[C@H]1COCCN1C 2230a_100009815349_200000210301 [0,2,0,0,0,0|1,0,0]=3 1148 B8R1.5 C[C@H]1COCCN1C 269982a_100009815349_200000210301 [0,2,0,0,0,0|1,0,0]=3 1149 B8R1.5 C[C@H]1COCCN1C 34a_100009815349_200000210301 [0,2,0,0,0,0|1,0,0]=3 1150 B8R1.5 C[C@H]1COCCN1[13CH3] 2230a_100009815349_200025704644 [0,2,0,0,0,0|1,0,0]=3 1151 B8R1.5 C[C@H]1COCCN1[13CH3] 269982a_100009815349_200025704644 [0,2,0,0,0,0|1,0,0]=3 1152 B8R1.5 C[C@H]1COCCN1[13CH3] 34a_100009815349_200025704644 [0,2,0,0,0,0|1,0,0]=3 1153 B6R1.3 CCNC1CC1 34a_100000212008_100000210202 [0,0,1,1,0,0|2,0,0]=4 1154 B6R1.3 CCOC1CC1 34a_100121572206_100000211595 [0,0,1,1,0,0|1,0,0]=3 1155 B6R1.3 CCSC1CC1 62a_100000210202_100000211595 [0,0,1,1,0,0|1,1,0]=4 1156 B6R1.3 CNCC1CC1 2230a_100000735609_200000210301 [0,0,1,1,0,0|2,0,0]=4 1157 B6R1.3 CNCC1CC1 2230a_106832991635_100000742324 [0,0,1,1,0,0|2,0,0]=4 1158 B6R1.3 CNCC1CC1 269862a_106832991636_100000741477 [0,0,1,1,0,0|2,0,0]=4 1159 B6R1.3 CNCC1CC1 34a_100000735609_200000210301 [0,0,1,1,0,0|2,0,0]=4 1160 B6R1.3 CNCC1CC1 34a_100102657272_100000742324 [0,0,1,1,0,0|2,0,0]=4 1161 B6R1.3 CNCC1CC1 7a_106832991635_100000742324 [0,0,1,1,0,0|2,0,0]=4 1162 B6R1.3 CNCC1CO1 2230a_106832991635_100011216344 [0,0,1,1,0,0|1,0,0]=3 1163 B6R1.3 CNCC1CO1 34a_100102657272_102125554688 [0,0,1,1,0,0|1,0,0]=3 1164 B6R1.3 CNCC1CO1 7a_106832991635_102125554688 [0,0,1,1,0,0|1,0,0]=3 1165 B6R1.3 CNCC1CS1 7a_106832991635_100000031435 [0,0,1,1,0,0|1,1,0]=4 1166 B6R1.3 CNC[C@@H]1CO1 7a_106832991635_100000745022 [0,0,1,1,0,0|1,0,0]=3 1167 B6R1.3 COCC1CC1 34a_100000211283_200000210301 [0,0,1,1,0,0|1,0,0]=3 1168 B6R1.3 COCC1CC1 34a_100138415774_100000742324 [0,0,1,1,0,0|1,0,0]=3 1169 B6R1.3 COCC1CO1 34a_100138415774_102125554688 [0,0,1,1,0,0|0,0,0]=2 1170 B6R1.3 COC[C@@H]1CO1 34a_100000757423_200000210301 [0,0,1,1,0,0|0,0,0]=2 1171 B6R1.3 CSCC1CC1 62a_100000756562_200000210301 [0,0,1,1,0,0|1,1,0]=4 1172 B6R1.3 CSCC1CC1 62a_200000210301_100000742324 [0,0,1,1,0,0|1,1,0]=4 1173 B6R1.3 CSCC1CO1 62a_102125554688_200000210301 [0,0,1,1,0,0|0,1,0]=3 1174 B6R1.3 CSCC1CO1 62a_200000210301_102125554688 [0,0,1,1,0,0|0,1,0]=3 1175 B6R1.3 CSCC1CS1 62a_100000031435_200000210301 [0,0,1,1,0,0|0,2,0]=4 1176 B6R1.3 CSCC1CS1 62a_200000210301_100000031435 [0,0,1,1,0,0|0,2,0]=4 1177 B6R1.3 CSC[C@@H]1CO1 62a_100000745022_200000210301 [0,0,1,1,0,0|0,1,0]=3 1178 B6R1.3 CSC[C@@H]1CO1 62a_200000210301_100000745022 [0,0,1,1,0,0|0,1,0]=3 1179 B6R1.3 [13CH3]NCC1CC1 2230a_100000735609_200025704644 [0,0,1,1,0,0|2,0,0]=4 1180 B6R1.3 [13CH3]NCC1CC1 34a_100000735609_200025704644 [0,0,1,1,0,0|2,0,0]=4 1181 B6R1.3 [13CH3]OCC1CC1 34a_100000211283_200025704644 [0,0,1,1,0,0|1,0,0]=3 1182 B6R1.3 [13CH3]OC[C@@H]1CO1 34a_100000757423_200025704644 [0,0,1,1,0,0|0,0,0]=2 1183 B6R1.3 [13CH3]SCC1CC1 62a_100000756562_200025704644 [0,0,1,1,0,0|1,1,0]=4 1184 B6R1.3 [13CH3]SCC1CC1 62a_200025704644_100000742324 [0,0,1,1,0,0|1,1,0]=4 1185 B6R1.3 [13CH3]SCC1CO1 62a_102125554688_200025704644 [0,0,1,1,0,0|0,1,0]=3 1186 B6R1.3 [13CH3]SCC1CO1 62a_200025704644_102125554688 [0,0,1,1,0,0|0,1,0]=3 1187 B6R1.3 [13CH3]SCC1CS1 62a_100000031435_200025704644 [0,0,1,1,0,0|0,2,0]=4 1188 B6R1.3 [13CH3]SCC1CS1 62a_200025704644_100000031435 [0,0,1,1,0,0|0,2,0]=4 1189 B6R1.3 [13CH3]SC[C@@H]1CO1 62a_100000745022_200025704644 [0,0,1,1,0,0|0,1,0]=3 1190 B6R1.3 [13CH3]SC[C@@H]1CO1 62a_200025704644_100000745022 [0,0,1,1,0,0|0,1,0]=3 1191 B6R1.4 CC1CCN1C 269982a_100000755817_200000210301 [0,0,1,1,0,0|2,0,0]=4 1192 B6R1.4 CC1CCN1C 34a_100000755817_200000210301 [0,0,1,1,0,0|2,0,0]=4 1193 B6R1.4 CC1CCN1[13CH3] 269982a_100000755817_200025704644 [0,0,1,1,0,0|2,0,0]=4 1194 B6R1.4 CC1CCN1[13CH3] 34a_100000755817_200025704644 [0,0,1,1,0,0|2,0,0]=4 1195 B6R1.6 CCN1CCC1 269982a_100000754969_100000204670 [0,0,1,1,0,0|2,0,0]=4 1196 B6R1.6 CNC1CCC1 2230a_100000749019_200000210301 [0,0,1,1,0,0|2,0,0]=4 1197 B6R1.6 CNC1CCC1 270004a_106832991635_100000241760 [0,0,1,1,0,0|2,0,0]=4 1198 B6R1.6 CNC1CCC1 34a_100000749019_200000210301 [0,0,1,1,0,0|2,0,0]=4 1199 B6R1.6 CNC1CCC1 34a_100102657272_100000749161 [0,0,1,1,0,0|2,0,0]=4 1200 B6R1.6 CNC1COC1 2230a_100016991112_200000210301 [0,0,1,1,0,0|1,0,0]=3 1201 B6R1.6 CNC1COC1 34a_100102657272_100009818527 [0,0,1,1,0,0|1,0,0]=3 1202 B6R1.6 CNC1COC1 7a_106832991635_100009818527 [0,0,1,1,0,0|1,0,0]=3 1203 B6R1.6 COC1CCC1 34a_100000748187_200000210301 [0,0,1,1,0,0|1,0,0]=3 1204 B6R1.6 COC1CCC1 34a_100138415774_100000749161 [0,0,1,1,0,0|1,0,0]=3 1205 B6R1.6 COC1COC1 34a_100138415774_100009818527 [0,0,1,1,0,0|0,0,0]=2 1206 B6R1.6 COC1CSC1 7a_100000072292_200000210301 [0,0,1,1,0,0|0,1,0]=3 1207 B6R1.6 CSC1CCC1 62a_200000210301_100000749161 [0,0,1,1,0,0|1,1,0]=4 1208 B6R1.6 CSC1COC1 62a_200000210301_100009818527 [0,0,1,1,0,0|0,1,0]=3 1209 B6R1.6 [13CH3]NC1CCC1 2230a_100000749019_200025704644 [0,0,1,1,0,0|2,0,0]=4 1210 B6R1.6 [13CH3]NC1CCC1 34a_100000749019_200025704644 [0,0,1,1,0,0|2,0,0]=4 1211 B6R1.6 [13CH3]NC1COC1 2230a_100016991112_200025704644 [0,0,1,1,0,0|1,0,0]=3 1212 B6R1.6 [13CH3]OC1CCC1 34a_100000748187_200025704644 [0,0,1,1,0,0|1,0,0]=3 1213 B6R1.6 [13CH3]OC1CSC1 7a_100000072292_200025704644 [0,0,1,1,0,0|0,1,0]=3 1214 B6R1.6 [13CH3]SC1CCC1 62a_200025704644_100000749161 [0,0,1,1,0,0|1,1,0]=4 1215 B6R1.6 [13CH3]SC1COC1 62a_200025704644_100009818527 [0,0,1,1,0,0|0,1,0]=3 1216 B8R2.18 CN1CC2CC2C1 2230a_100000741873_200000210301 [0,1,0,1,0,0|2,0,0]=4 1217 B8R2.18 CN1CC2CC2C1 269982a_100000741873_200000210301 [0,1,0,1,0,0|2,0,0]=4 1218 B8R2.18 CN1CC2CC2C1 34a_100000741873_200000210301 [0,1,0,1,0,0|2,0,0]=4 1219 B8R2.18 [13CH3]N1CC2CC2C1 2230a_100000741873_200025704644 [0,1,0,1,0,0|2,0,0]=4 1220 B8R2.18 [13CH3]N1CC2CC2C1 269982a_100000741873_200025704644 [0,1,0,1,0,0|2,0,0]=4 1221 B8R2.18 [13CH3]N1CC2CC2C1 34a_100000741873_200025704644 [0,1,0,1,0,0|2,0,0]=4