0 B5R0.2 C#CCCNC 2230a_106832991635_100000688953 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.2 C#CCCNC 34a_100000755551_200000210301 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.2 C#CCCNC 34a_100102657272_100000688953 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.2 C#CCCNC 7a_106832991635_100000688953 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.2 C#CCCN[13CH3] 34a_100000755551_200025704644 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.2 C#CCCOC 34a_100011215631_200000210301 [0,0,0,0,0,0|1,0,1]=2 6 B5R0.2 C#CCCOC 34a_100138415774_100000688953 [0,0,0,0,0,0|1,0,1]=2 7 B5R0.2 C#CCCO[13CH3] 34a_100011215631_200025704644 [0,0,0,0,0,0|1,0,1]=2 8 B5R0.2 C#CCCSC 62a_100000688953_200000210301 [0,0,0,0,0,0|1,1,1]=3 9 B5R0.2 C#CCCSC 62a_200000210301_100000688953 [0,0,0,0,0,0|1,1,1]=3 10 B5R0.2 C#CCCS[13CH3] 62a_100000688953_200025704644 [0,0,0,0,0,0|1,1,1]=3 11 B5R0.2 C#CCCS[13CH3] 62a_200025704644_100000688953 [0,0,0,0,0,0|1,1,1]=3 12 B5R0.2 C#CCNCC 2230a_100015525214_100000038162 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.2 C#CCNCC 34a_100000212058_100000210202 [0,0,0,0,0,0|3,0,1]=4 14 B5R0.2 C#CCOCC 34a_100000210247_100000210202 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.2 C#CCOCC 34a_100121572206_100000184674 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.2 C#CCSCC 62a_100000038162_100000210202 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [0,0,0,0,0,0|2,0,1]=3 18 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [0,0,0,0,0,0|2,0,1]=3 19 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [0,0,0,0,0,0|1,0,1]=2 20 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [0,0,0,0,0,0|1,0,1]=2 21 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [0,0,0,0,0,0|1,0,1]=2 22 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [0,0,0,0,0,0|1,1,1]=3 23 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [0,0,0,0,0,0|1,1,1]=3 24 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [0,0,0,0,0,0|1,1,1]=3 25 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [0,0,0,0,0,0|1,1,1]=3 26 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [0,0,0,0,0,0|2,0,1]=3 27 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [0,0,0,0,0,0|2,0,1]=3 28 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [0,0,0,0,0,0|2,0,1]=3 29 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [0,0,0,0,0,0|2,0,1]=3 30 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [0,0,0,0,0,0|2,0,1]=3 31 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [0,0,0,0,0,0|1,0,1]=2 32 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [0,0,0,0,0,0|1,0,1]=2 33 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [0,0,0,0,0,0|1,0,1]=2 34 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [0,0,0,0,0,0|1,1,1]=3 35 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [0,0,0,0,0,0|1,1,1]=3 36 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [0,0,0,0,0,0|1,1,1]=3 37 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [0,0,0,0,0,0|1,1,1]=3 38 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [0,0,0,0,0,0|3,0,1]=4 39 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [0,0,0,0,0,0|3,0,1]=4 40 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [0,0,0,0,0,0|3,0,1]=4 41 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [0,0,0,0,0,0|3,0,1]=4 42 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [0,0,0,0,0,0|3,0,1]=4 43 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [0,0,0,0,0,0|3,0,1]=4 44 B5R0.2 CC#CCNC 2230a_100000685387_200000210301 [0,0,0,0,0,0|2,0,1]=3 45 B5R0.2 CC#CCNC 2230a_106832991635_100000748600 [0,0,0,0,0,0|2,0,1]=3 46 B5R0.2 CC#CCNC 34a_100000685387_200000210301 [0,0,0,0,0,0|2,0,1]=3 47 B5R0.2 CC#CCNC 34a_100102657272_100000748600 [0,0,0,0,0,0|2,0,1]=3 48 B5R0.2 CC#CCNC 7a_106832991635_100000748600 [0,0,0,0,0,0|2,0,1]=3 49 B5R0.2 CC#CCN[13CH3] 2230a_100000685387_200025704644 [0,0,0,0,0,0|2,0,1]=3 50 B5R0.2 CC#CCN[13CH3] 34a_100000685387_200025704644 [0,0,0,0,0,0|2,0,1]=3 51 B5R0.2 CC#CCOC 34a_100000761923_200000210301 [0,0,0,0,0,0|1,0,1]=2 52 B5R0.2 CC#CCOC 34a_100138415774_100000748600 [0,0,0,0,0,0|1,0,1]=2 53 B5R0.2 CC#CCO[13CH3] 34a_100000761923_200025704644 [0,0,0,0,0,0|1,0,1]=2 54 B5R0.2 CC#CCSC 62a_100000748600_200000210301 [0,0,0,0,0,0|1,1,1]=3 55 B5R0.2 CC#CCSC 62a_200000210301_100000748600 [0,0,0,0,0,0|1,1,1]=3 56 B5R0.2 CC#CCS[13CH3] 62a_100000748600_200025704644 [0,0,0,0,0,0|1,1,1]=3 57 B5R0.2 CC#CCS[13CH3] 62a_200025704644_100000748600 [0,0,0,0,0,0|1,1,1]=3 58 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [0,0,0,0,0,0|2,0,1]=3 59 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [0,0,0,0,0,0|2,0,1]=3 60 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [0,0,0,0,0,0|2,0,1]=3 61 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [0,0,0,0,0,0|1,0,1]=2 62 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [0,0,0,0,0,0|1,1,1]=3 63 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [0,0,0,0,0,0|1,1,1]=3 64 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [0,0,0,0,0,0|1,1,1]=3 65 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [0,0,0,0,0,0|1,1,1]=3 66 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [0,0,0,0,0,0|4,0,0]=4 67 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [0,0,0,0,0,0|2,0,0]=2 68 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [0,0,0,0,0,0|2,0,0]=2 69 B5R0.2 CCCCNC 34a_100102657272_100000210210 [0,0,0,0,0,0|2,0,0]=2 70 B5R0.2 CCCCNC 7a_106832991635_100000210211 [0,0,0,0,0,0|2,0,0]=2 71 B5R0.2 CCCCNC 7a_106832991798_200000210301 [0,0,0,0,0,0|2,0,0]=2 72 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [0,0,0,0,0,0|2,0,0]=2 73 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [0,0,0,0,0,0|2,0,0]=2 74 B5R0.2 CCCCOC 34a_100000210227_200000210301 [0,0,0,0,0,0|1,0,0]=1 75 B5R0.2 CCCCOC 34a_100138415774_100000210210 [0,0,0,0,0,0|1,0,0]=1 76 B5R0.2 CCCCOC 7a_100000210227_200000210301 [0,0,0,0,0,0|1,0,0]=1 77 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [0,0,0,0,0,0|1,0,0]=1 78 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [0,0,0,0,0,0|1,0,0]=1 79 B5R0.2 CCCCSC 62a_100000210211_200000210301 [0,0,0,0,0,0|1,1,0]=2 80 B5R0.2 CCCCSC 62a_200000210301_100000210210 [0,0,0,0,0,0|1,1,0]=2 81 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [0,0,0,0,0,0|1,1,0]=2 82 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [0,0,0,0,0,0|1,1,0]=2 83 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [0,0,0,0,0,0|3,0,0]=3 84 B5R0.2 CCCOCC 34a_100000210258_100000210202 [0,0,0,0,0,0|3,0,0]=3 85 B5R0.2 CCCOCC 34a_100121572206_100000210303 [0,0,0,0,0,0|3,0,0]=3 86 B5R0.2 CCCOCF 34a_100000210258_100015361967 [0,0,0,0,0,0|4,0,0]=4 87 B5R0.2 CCCSCC 62a_100000210202_100000210303 [0,0,0,0,0,0|3,0,0]=3 88 B5R0.2 CCCSCC 62a_100000210303_100000210202 [0,0,0,0,0,0|3,0,0]=3 89 B5R0.2 CCCSCF 62a_100000210303_100015361967 [0,0,0,0,0,0|4,0,0]=4 90 B5R0.2 CCCSCF 62a_100015361967_100000210303 [0,0,0,0,0,0|4,0,0]=4 91 B5R0.2 CCNCC#N 2230a_100015525214_100011215382 [0,0,0,0,0,0|4,0,0]=4 92 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [0,0,0,0,0,0|4,0,0]=4 93 B5R0.2 CCNCCF 2230a_100015525214_100011217306 [0,0,0,0,0,0|4,0,0]=4 94 B5R0.2 CCNCCF 34a_100000724931_100000210202 [0,0,0,0,0,0|4,0,0]=4 95 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [0,0,0,0,0,0|4,0,0]=4 96 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [0,0,0,0,0,0|4,0,0]=4 97 B5R0.2 CCNCCO 34a_100016990907_100000210202 [0,0,0,0,0,0|4,0,0]=4 98 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [0,0,0,0,0,0|2,0,0]=2 99 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [0,0,0,0,0,0|2,1,0]=3 100 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [0,0,0,0,0,0|4,0,0]=4 101 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [0,0,0,0,0,0|4,0,0]=4 102 B5R0.2 CCOCCF 34a_100121572206_100011217306 [0,0,0,0,0,0|4,0,0]=4 103 B5R0.2 CCOCCN 34a_100000210304_100000210202 [0,0,0,0,0,0|4,0,0]=4 104 B5R0.2 CCOCCO 34a_100121572206_100000211926 [0,0,0,0,0,0|4,0,0]=4 105 B5R0.2 CCOCSC 34a_100121572206_100011218213 [0,0,0,0,0,0|2,1,0]=3 106 B5R0.2 CCOCSC 62a_100000739092_200000210301 [0,0,0,0,0,0|2,1,0]=3 107 B5R0.2 CCOCSC 62a_200000210301_100000739092 [0,0,0,0,0,0|2,1,0]=3 108 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [0,0,0,0,0,0|2,1,0]=3 109 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [0,0,0,0,0,0|2,1,0]=3 110 B5R0.2 CCSCC#N 62a_100000210202_100011215382 [0,0,0,0,0,0|4,0,0]=4 111 B5R0.2 CCSCC#N 62a_100011215382_100000210202 [0,0,0,0,0,0|4,0,0]=4 112 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [0,0,0,0,0,0|4,0,0]=4 113 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [0,0,0,0,0,0|4,0,0]=4 114 B5R0.2 CCSCCF 62a_100000210202_100011217306 [0,0,0,0,0,0|4,0,0]=4 115 B5R0.2 CCSCCF 62a_100011217306_100000210202 [0,0,0,0,0,0|4,0,0]=4 116 B5R0.2 CCSCCO 62a_100000210202_100000211926 [0,0,0,0,0,0|4,0,0]=4 117 B5R0.2 CCSCCO 62a_100000211926_100000210202 [0,0,0,0,0,0|4,0,0]=4 118 B5R0.2 CCSCOC 62a_100000210202_100000766300 [0,0,0,0,0,0|2,0,0]=2 119 B5R0.2 CCSCOC 62a_100000766300_100000210202 [0,0,0,0,0,0|2,0,0]=2 120 B5R0.2 CCSCSC 62a_100000210202_100011218213 [0,0,0,0,0,0|2,1,0]=3 121 B5R0.2 CCSCSC 62a_100011218213_100000210202 [0,0,0,0,0,0|2,1,0]=3 122 B5R0.2 CNCCC#N 2230a_106832991635_100011215226 [0,0,0,0,0,0|3,0,0]=3 123 B5R0.2 CNCCC#N 7a_106832991635_100000184422 [0,0,0,0,0,0|3,0,0]=3 124 B5R0.2 CNCCCF 2230a_100015189416_200000210301 [0,0,0,0,0,0|3,0,0]=3 125 B5R0.2 CNCCCF 2230a_106832991635_100011934791 [0,0,0,0,0,0|3,0,0]=3 126 B5R0.2 CNCCCF 34a_100015189416_200000210301 [0,0,0,0,0,0|3,0,0]=3 127 B5R0.2 CNCCCF 34a_100102657272_100011934791 [0,0,0,0,0,0|3,0,0]=3 128 B5R0.2 CNCCCF 7a_106832991635_100011934791 [0,0,0,0,0,0|3,0,0]=3 129 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [0,0,0,0,0,0|3,0,0]=3 130 B5R0.2 CNCCCO 34a_100102657272_100000230001 [0,0,0,0,0,0|3,0,0]=3 131 B5R0.2 CNCCCO 7a_106832991635_100011215043 [0,0,0,0,0,0|3,0,0]=3 132 B5R0.2 CNCCOC 2230a_100000209980_200000210301 [0,0,0,0,0,0|1,0,0]=1 133 B5R0.2 CNCCOC 2230a_106832991635_100011201679 [0,0,0,0,0,0|1,0,0]=1 134 B5R0.2 CNCCOC 34a_100102657272_100011201679 [0,0,0,0,0,0|1,0,0]=1 135 B5R0.2 CNCCOC 7a_106832991635_100000233755 [0,0,0,0,0,0|1,0,0]=1 136 B5R0.2 CNCCSC 2230a_100020590264_200000210301 [0,0,0,0,0,0|1,1,0]=2 137 B5R0.2 CNCCSC 2230a_106832991635_100000751147 [0,0,0,0,0,0|1,1,0]=2 138 B5R0.2 CNCCSC 34a_100102657272_100000212216 [0,0,0,0,0,0|1,1,0]=2 139 B5R0.2 CNCCSC 7a_106832991635_100000212216 [0,0,0,0,0,0|1,1,0]=2 140 B5R0.2 COCCCBr 34a_100011217188_200000210301 [0,0,0,0,0,0|2,0,0]=2 141 B5R0.2 COCCCCl 34a_100000230001_200000210301 [0,0,0,0,0,0|2,0,0]=2 142 B5R0.2 COCCCF 34a_100000759539_200000210301 [0,0,0,0,0,0|2,0,0]=2 143 B5R0.2 COCCCF 34a_100138415774_100011934791 [0,0,0,0,0,0|2,0,0]=2 144 B5R0.2 COCCCN 34a_100000182051_200000210301 [0,0,0,0,0,0|2,0,0]=2 145 B5R0.2 COCCCO 34a_100138415774_100000230001 [0,0,0,0,0,0|2,0,0]=2 146 B5R0.2 COCCN[13CH3] 2230a_100000209980_200025704644 [0,0,0,0,0,0|1,0,0]=1 147 B5R0.2 COCCOC 34a_100000210237_200000210301 [0,0,0,0,0,0|0,0,0]=0 148 B5R0.2 COCCOC 34a_100138415774_100011201679 [0,0,0,0,0,0|0,0,0]=0 149 B5R0.2 COCCON 34a_100000700252_200000210301 [0,0,0,0,0,0|1,0,0]=1 150 B5R0.2 COCCO[13CH3] 34a_100000210237_200025704644 [0,0,0,0,0,0|0,0,0]=0 151 B5R0.2 COCCSC 34a_100000230434_200000210301 [0,0,0,0,0,0|0,1,0]=1 152 B5R0.2 COCCSC 34a_100138415774_100000212216 [0,0,0,0,0,0|0,1,0]=1 153 B5R0.2 COCCSC 62a_100000233755_200000210301 [0,0,0,0,0,0|0,1,0]=1 154 B5R0.2 COCCSC 62a_200000210301_100000233755 [0,0,0,0,0,0|0,1,0]=1 155 B5R0.2 COCCSC 7a_100000230434_200000210301 [0,0,0,0,0,0|0,1,0]=1 156 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [0,0,0,0,0,0|0,1,0]=1 157 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [0,0,0,0,0,0|0,1,0]=1 158 B5R0.2 COCSCF 62a_100000766300_100015361967 [0,0,0,0,0,0|3,0,0]=3 159 B5R0.2 COCSCF 62a_100015361967_100000766300 [0,0,0,0,0,0|3,0,0]=3 160 B5R0.2 CSCCC#N 62a_100011215226_200000210301 [0,0,0,0,0,0|2,1,0]=3 161 B5R0.2 CSCCC#N 62a_200000210301_100011215226 [0,0,0,0,0,0|2,1,0]=3 162 B5R0.2 CSCCCF 62a_100011934791_200000210301 [0,0,0,0,0,0|2,1,0]=3 163 B5R0.2 CSCCCF 62a_200000210301_100011934791 [0,0,0,0,0,0|2,1,0]=3 164 B5R0.2 CSCCCO 62a_100011215043_200000210301 [0,0,0,0,0,0|2,1,0]=3 165 B5R0.2 CSCCCO 62a_200000210301_100011215043 [0,0,0,0,0,0|2,1,0]=3 166 B5R0.2 CSCCN[13CH3] 2230a_100020590264_200025704644 [0,0,0,0,0,0|1,1,0]=2 167 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [0,0,0,0,0,0|0,1,0]=1 168 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [0,0,0,0,0,0|0,1,0]=1 169 B5R0.2 CSCCSC 62a_100000212216_200000210301 [0,0,0,0,0,0|0,2,0]=2 170 B5R0.2 CSCCSC 62a_200000210301_100000751147 [0,0,0,0,0,0|0,2,0]=2 171 B5R0.2 CSCCS[13CH3] 62a_100000212216_200025704644 [0,0,0,0,0,0|0,2,0]=2 172 B5R0.2 CSCCS[13CH3] 62a_200025704644_100000751147 [0,0,0,0,0,0|0,2,0]=2 173 B5R0.2 CSCSC#N 62a_100000211825_200000210301 [0,0,0,0,0,0|3,1,0]=4 174 B5R0.2 CSCSC#N 62a_200000210301_100000211825 [0,0,0,0,0,0|3,1,0]=4 175 B5R0.2 CSCSCF 62a_100011218213_100015361967 [0,0,0,0,0,0|3,1,0]=4 176 B5R0.2 CSCSCF 62a_100015361967_100011218213 [0,0,0,0,0,0|3,1,0]=4 177 B5R0.2 [13CH3]NCCCF 2230a_100015189416_200025704644 [0,0,0,0,0,0|3,0,0]=3 178 B5R0.2 [13CH3]NCCCF 34a_100015189416_200025704644 [0,0,0,0,0,0|3,0,0]=3 179 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [0,0,0,0,0,0|2,0,0]=2 180 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [0,0,0,0,0,0|2,0,0]=2 181 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [0,0,0,0,0,0|2,0,0]=2 182 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [0,0,0,0,0,0|2,0,0]=2 183 B5R0.2 [13CH3]OCCON 34a_100000700252_200025704644 [0,0,0,0,0,0|1,0,0]=1 184 B5R0.2 [13CH3]SCCC#N 62a_100011215226_200025704644 [0,0,0,0,0,0|2,1,0]=3 185 B5R0.2 [13CH3]SCCC#N 62a_200025704644_100011215226 [0,0,0,0,0,0|2,1,0]=3 186 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [0,0,0,0,0,0|2,1,0]=3 187 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [0,0,0,0,0,0|2,1,0]=3 188 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [0,0,0,0,0,0|2,1,0]=3 189 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [0,0,0,0,0,0|2,1,0]=3 190 B5R0.2 [13CH3]SCSC#N 62a_100000211825_200025704644 [0,0,0,0,0,0|3,1,0]=4 191 B5R0.2 [13CH3]SCSC#N 62a_200025704644_100000211825 [0,0,0,0,0,0|3,1,0]=4 192 B4R0.2 C#CCNC 2230a_106832991635_100000038162 [1,0,0,0,0,0|1,0,2]=4 193 B4R0.2 C#CCNC 34a_100000212058_200000210301 [1,0,0,0,0,0|1,0,2]=4 194 B4R0.2 C#CCNC 34a_100102657272_100000184674 [1,0,0,0,0,0|1,0,2]=4 195 B4R0.2 C#CCNC 7a_106832991635_100000038162 [1,0,0,0,0,0|1,0,2]=4 196 B4R0.2 C#CCN[13CH3] 34a_100000212058_200025704644 [1,0,0,0,0,0|1,0,2]=4 197 B4R0.2 C#CCOC 34a_100000210247_200000210301 [1,0,0,0,0,0|0,0,2]=3 198 B4R0.2 C#CCOC 34a_100138415774_100000184674 [1,0,0,0,0,0|0,0,2]=3 199 B4R0.2 C#CCO[13CH3] 34a_100000210247_200025704644 [1,0,0,0,0,0|0,0,2]=3 200 B4R0.2 C#CCSC 62a_100000038162_200000210301 [1,0,0,0,0,0|0,1,2]=4 201 B4R0.2 C#CCS[13CH3] 62a_100000038162_200025704644 [1,0,0,0,0,0|0,1,2]=4 202 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [1,0,0,0,0,0|1,0,2]=4 203 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [1,0,0,0,0,0|1,0,2]=4 204 B4R0.2 C=CCNC 34a_100102657272_100015514636 [1,0,0,0,0,0|1,0,2]=4 205 B4R0.2 C=CCNC 7a_106832991635_100015514636 [1,0,0,0,0,0|1,0,2]=4 206 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [1,0,0,0,0,0|1,0,2]=4 207 B4R0.2 C=CCOC 34a_100138415774_100015514636 [1,0,0,0,0,0|0,0,2]=3 208 B4R0.2 C=CCOC 34a_200000210373_200000210301 [1,0,0,0,0,0|0,0,2]=3 209 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [1,0,0,0,0,0|0,0,2]=3 210 B4R0.2 C=CCSC 62a_100000210623_200000210301 [1,0,0,0,0,0|0,1,2]=4 211 B4R0.2 C=CCSC 62a_200000210301_100000210623 [1,0,0,0,0,0|0,1,2]=4 212 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [1,0,0,0,0,0|0,1,2]=4 213 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [1,0,0,0,0,0|0,1,2]=4 214 B4R0.2 CCCNC 2230a_106832991635_100000210303 [1,0,0,0,0,0|1,0,0]=2 215 B4R0.2 CCCNC 34a_100102657272_100000210303 [1,0,0,0,0,0|1,0,0]=2 216 B4R0.2 CCCNC 7a_106832991635_100000210303 [1,0,0,0,0,0|1,0,0]=2 217 B4R0.2 CCCOC 34a_100000210258_200000210301 [1,0,0,0,0,0|0,0,0]=1 218 B4R0.2 CCCOC 34a_100138415774_100000210303 [1,0,0,0,0,0|0,0,0]=1 219 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [1,0,0,0,0,0|0,0,0]=1 220 B4R0.2 CCCSC 62a_100000210303_200000210301 [1,0,0,0,0,0|0,1,0]=2 221 B4R0.2 CCCSC 62a_200000210301_100000210303 [1,0,0,0,0,0|0,1,0]=2 222 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [1,0,0,0,0,0|0,1,0]=2 223 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [1,0,0,0,0,0|0,1,0]=2 224 B4R0.2 CCNCC 2230a_100015525214_100000210202 [1,0,0,0,0,0|2,0,0]=3 225 B4R0.2 CCOCC 34a_100121572206_100000210202 [1,0,0,0,0,0|2,0,0]=3 226 B4R0.2 CCOCF 34a_100121572206_100015361967 [1,0,0,0,0,0|3,0,0]=4 227 B4R0.2 CCSCC 62a_100000210202_100000210202 [1,0,0,0,0,0|2,0,0]=3 228 B4R0.2 CCSCF 62a_100000210202_100015361967 [1,0,0,0,0,0|3,0,0]=4 229 B4R0.2 CCSCF 62a_100015361967_100000210202 [1,0,0,0,0,0|3,0,0]=4 230 B4R0.2 CNCC#N 2230a_106832991635_100011215382 [1,0,0,0,0,0|2,0,1]=4 231 B4R0.2 CNCC#N 7a_106832991635_100011215382 [1,0,0,0,0,0|2,0,1]=4 232 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [1,0,0,0,0,0|1,0,2]=4 233 B4R0.2 CNCC=O 34a_100102657272_200009817547 [1,0,0,0,0,0|1,0,2]=4 234 B4R0.2 CNCC=O 7a_106832991635_200015260668 [1,0,0,0,0,0|1,0,2]=4 235 B4R0.2 CNCCF 2230a_106832991635_100011217306 [1,0,0,0,0,0|2,0,0]=3 236 B4R0.2 CNCCF 34a_100000724931_200000210301 [1,0,0,0,0,0|2,0,0]=3 237 B4R0.2 CNCCF 34a_100102657272_100011217306 [1,0,0,0,0,0|2,0,0]=3 238 B4R0.2 CNCCF 7a_106832991635_100011217306 [1,0,0,0,0,0|2,0,0]=3 239 B4R0.2 CNCCO 2230a_100016997473_200000210301 [1,0,0,0,0,0|1,0,0]=2 240 B4R0.2 CNCCO 2230a_106832991635_100000211926 [1,0,0,0,0,0|1,0,0]=2 241 B4R0.2 CNCCO 34a_100016990907_200000210301 [1,0,0,0,0,0|1,0,0]=2 242 B4R0.2 CNCCO 34a_100102657272_100000211926 [1,0,0,0,0,0|1,0,0]=2 243 B4R0.2 CNCCO 7a_106832991635_100000211926 [1,0,0,0,0,0|1,0,0]=2 244 B4R0.2 CNCOC 2230a_106832991635_100000766300 [1,0,0,0,0,0|1,0,0]=2 245 B4R0.2 CNCSC 2230a_106832991635_100011218213 [1,0,0,0,0,0|1,1,0]=3 246 B4R0.2 CNCSC 34a_100102657272_100011218213 [1,0,0,0,0,0|1,1,0]=3 247 B4R0.2 COCC=O 34a_100138415774_200009817547 [1,0,0,0,0,0|0,0,2]=3 248 B4R0.2 COCCBr 34a_100000211926_200000210301 [1,0,0,0,0,0|1,0,0]=2 249 B4R0.2 COCCF 34a_100138415774_100011217306 [1,0,0,0,0,0|1,0,0]=2 250 B4R0.2 COCCN 34a_100000210304_200000210301 [1,0,0,0,0,0|1,0,0]=2 251 B4R0.2 COCCO 34a_100138415774_100000211926 [1,0,0,0,0,0|0,0,0]=1 252 B4R0.2 COCSC 34a_100138415774_100011218213 [1,0,0,0,0,0|0,1,0]=2 253 B4R0.2 COCSC 62a_100000766300_200000210301 [1,0,0,0,0,0|0,1,0]=2 254 B4R0.2 COCSC 62a_200000210301_100000766300 [1,0,0,0,0,0|0,1,0]=2 255 B4R0.2 COCS[13CH3] 62a_100000766300_200025704644 [1,0,0,0,0,0|0,1,0]=2 256 B4R0.2 COCS[13CH3] 62a_200025704644_100000766300 [1,0,0,0,0,0|0,1,0]=2 257 B4R0.2 CSCC#N 62a_100011215382_200000210301 [1,0,0,0,0,0|1,1,1]=4 258 B4R0.2 CSCC#N 62a_200000210301_100011215382 [1,0,0,0,0,0|1,1,1]=4 259 B4R0.2 CSCC=O 62a_200000210301_200015260668 [1,0,0,0,0,0|0,1,2]=4 260 B4R0.2 CSCC=O 62a_200015260668_200000210301 [1,0,0,0,0,0|0,1,2]=4 261 B4R0.2 CSCCF 62a_100011217306_200000210301 [1,0,0,0,0,0|1,1,0]=3 262 B4R0.2 CSCCF 62a_200000210301_100011217306 [1,0,0,0,0,0|1,1,0]=3 263 B4R0.2 CSCCO 62a_100000211926_200000210301 [1,0,0,0,0,0|0,1,0]=2 264 B4R0.2 CSCCO 62a_200000210301_100000211926 [1,0,0,0,0,0|0,1,0]=2 265 B4R0.2 CSCSC 62a_100011218213_200000210301 [1,0,0,0,0,0|0,2,0]=3 266 B4R0.2 CSCSC 62a_200000210301_100011218213 [1,0,0,0,0,0|0,2,0]=3 267 B4R0.2 CSCS[13CH3] 62a_100011218213_200025704644 [1,0,0,0,0,0|0,2,0]=3 268 B4R0.2 CSCS[13CH3] 62a_200025704644_100011218213 [1,0,0,0,0,0|0,2,0]=3 269 B4R0.2 [13CH3]NCCF 34a_100000724931_200025704644 [1,0,0,0,0,0|2,0,0]=3 270 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [1,0,0,0,0,0|1,0,0]=2 271 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [1,0,0,0,0,0|1,0,0]=2 272 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [1,0,0,0,0,0|1,0,0]=2 273 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [1,0,0,0,0,0|1,0,0]=2 274 B4R0.2 [13CH3]SCC#N 62a_100011215382_200025704644 [1,0,0,0,0,0|1,1,1]=4 275 B4R0.2 [13CH3]SCC#N 62a_200025704644_100011215382 [1,0,0,0,0,0|1,1,1]=4 276 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [1,0,0,0,0,0|0,1,2]=4 277 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [1,0,0,0,0,0|0,1,2]=4 278 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [1,0,0,0,0,0|1,1,0]=3 279 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [1,0,0,0,0,0|1,1,0]=3 280 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [1,0,0,0,0,0|0,1,0]=2 281 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [1,0,0,0,0,0|0,1,0]=2 282 B6R0.1 C#CCC(C)OC 34a_100000685586_200000210301 [0,1,0,0,0,0|1,0,1]=3 283 B6R0.1 C#CCC(C)OC 7a_100000685586_200000210301 [0,1,0,0,0,0|1,0,1]=3 284 B6R0.1 C#CCC(C)O[13CH3] 34a_100000685586_200025704644 [0,1,0,0,0,0|1,0,1]=3 285 B6R0.1 C#CCC(C)O[13CH3] 7a_100000685586_200025704644 [0,1,0,0,0,0|1,0,1]=3 286 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [0,1,0,0,0,0|1,0,1]=3 287 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [0,1,0,0,0,0|1,0,1]=3 288 B6R0.1 C=C(C#N)COC 34a_100138415774_100000694840 [0,1,0,0,0,0|2,0,1]=4 289 B6R0.1 C=CC(C)COC 34a_100011215527_200000210301 [0,1,0,0,0,0|1,0,1]=3 290 B6R0.1 C=CC(C)COC 7a_100011215527_200000210301 [0,1,0,0,0,0|1,0,1]=3 291 B6R0.1 C=CC(C)CO[13CH3] 34a_100011215527_200025704644 [0,1,0,0,0,0|1,0,1]=3 292 B6R0.1 C=CC(C)CO[13CH3] 7a_100011215527_200025704644 [0,1,0,0,0,0|1,0,1]=3 293 B6R0.1 C=CC(O)CNC 2230a_106832991635_100000730141 [0,1,0,0,0,0|2,0,1]=4 294 B6R0.1 C=CC(O)CNC 34a_100102657272_100000730141 [0,1,0,0,0,0|2,0,1]=4 295 B6R0.1 C=CC(O)CNC 7a_106832991635_100000730141 [0,1,0,0,0,0|2,0,1]=4 296 B6R0.1 C=CC(O)COC 34a_100138415774_100000730141 [0,1,0,0,0,0|1,0,1]=3 297 B6R0.1 C=CC(O)CSC 62a_100000730141_200000210301 [0,1,0,0,0,0|1,1,1]=4 298 B6R0.1 C=CC(O)CSC 62a_200000210301_100000730141 [0,1,0,0,0,0|1,1,1]=4 299 B6R0.1 C=CC(O)CS[13CH3] 62a_100000730141_200025704644 [0,1,0,0,0,0|1,1,1]=4 300 B6R0.1 C=CC(O)CS[13CH3] 62a_200025704644_100000730141 [0,1,0,0,0,0|1,1,1]=4 301 B6R0.1 C=CC[C@@H](C)OC 34a_100000731007_200000210301 [0,1,0,0,0,0|1,0,1]=3 302 B6R0.1 C=CC[C@@H](C)OC 7a_100000731007_200000210301 [0,1,0,0,0,0|1,0,1]=3 303 B6R0.1 C=CC[C@@H](C)O[13CH3] 34a_100000731007_200025704644 [0,1,0,0,0,0|1,0,1]=3 304 B6R0.1 C=CC[C@@H](C)O[13CH3] 7a_100000731007_200025704644 [0,1,0,0,0,0|1,0,1]=3 305 B6R0.1 C=C[C@H](N)COC 34a_100016989147_200000210301 [0,1,0,0,0,0|1,0,1]=3 306 B6R0.1 C=C[C@H](N)CO[13CH3] 34a_100016989147_200025704644 [0,1,0,0,0,0|1,0,1]=3 307 B6R0.1 CC#CC(C)OC 34a_100011216543_200000210301 [0,1,0,0,0,0|1,0,1]=3 308 B6R0.1 CC#CC(C)O[13CH3] 34a_100011216543_200025704644 [0,1,0,0,0,0|1,0,1]=3 309 B6R0.1 CC(CC#N)S[13CH3] 62a_100009813641_200025704644 [0,1,0,0,0,0|2,1,0]=4 310 B6R0.1 CC(CC#N)S[13CH3] 62a_200025704644_100009813641 [0,1,0,0,0,0|2,1,0]=4 311 B6R0.1 CC(CCBr)O[13CH3] 34a_100012276601_200025704644 [0,1,0,0,0,0|2,0,0]=3 312 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [0,1,0,0,0,0|2,1,0]=4 313 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [0,1,0,0,0,0|2,1,0]=4 314 B6R0.1 CC(CN)CO[13CH3] 34a_100000744482_200025704644 [0,1,0,0,0,0|2,0,0]=3 315 B6R0.1 CC(CO)CN[13CH3] 34a_100000744482_200025704644 [0,1,0,0,0,0|3,0,0]=4 316 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [0,1,0,0,0,0|2,0,1]=4 317 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [0,1,0,0,0,0|1,0,1]=3 318 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [0,1,0,0,0,0|1,0,1]=3 319 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [0,1,0,0,0,0|1,0,1]=3 320 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [0,1,0,0,0,0|1,1,1]=4 321 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [0,1,0,0,0,0|1,1,1]=4 322 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [0,1,0,0,0,0|1,1,1]=4 323 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [0,1,0,0,0,0|1,1,1]=4 324 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [0,1,0,0,0,0|1,1,1]=4 325 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [0,1,0,0,0,0|2,0,0]=3 326 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [0,1,0,0,0,0|2,0,0]=3 327 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [0,1,0,0,0,0|2,0,0]=3 328 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [0,1,0,0,0,0|2,0,0]=3 329 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [0,1,0,0,0,0|2,0,0]=3 330 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [0,1,0,0,0,0|2,0,0]=3 331 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [0,1,0,0,0,0|1,0,0]=2 332 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [0,1,0,0,0,0|1,1,0]=3 333 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [0,1,0,0,0,0|1,1,0]=3 334 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [0,1,0,0,0,0|1,1,0]=3 335 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [0,1,0,0,0,0|1,1,0]=3 336 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [0,1,0,0,0,0|2,0,0]=3 337 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [0,1,0,0,0,0|2,0,0]=3 338 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [0,1,0,0,0,0|2,0,0]=3 339 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [0,1,0,0,0,0|2,0,0]=3 340 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [0,1,0,0,0,0|2,0,0]=3 341 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [0,1,0,0,0,0|1,0,0]=2 342 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [0,1,0,0,0,0|1,1,0]=3 343 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [0,1,0,0,0,0|1,1,0]=3 344 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [0,1,0,0,0,0|1,1,0]=3 345 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [0,1,0,0,0,0|1,1,0]=3 346 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [0,1,0,0,0,0|2,0,1]=4 347 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [0,1,0,0,0,0|2,0,1]=4 348 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [0,1,0,0,0,0|2,0,1]=4 349 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [0,1,0,0,0,0|2,0,1]=4 350 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [0,1,0,0,0,0|2,0,1]=4 351 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [0,1,0,0,0,0|2,0,1]=4 352 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [0,1,0,0,0,0|2,0,0]=3 353 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [0,1,0,0,0,0|2,0,0]=3 354 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [0,1,0,0,0,0|2,0,0]=3 355 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [0,1,0,0,0,0|2,0,0]=3 356 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [0,1,0,0,0,0|2,0,0]=3 357 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [0,1,0,0,0,0|2,0,0]=3 358 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [0,1,0,0,0,0|1,0,0]=2 359 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [0,1,0,0,0,0|1,0,0]=2 360 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [0,1,0,0,0,0|1,0,0]=2 361 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [0,1,0,0,0,0|1,0,0]=2 362 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [0,1,0,0,0,0|1,0,0]=2 363 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [0,1,0,0,0,0|1,1,0]=3 364 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [0,1,0,0,0,0|1,1,0]=3 365 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [0,1,0,0,0,0|1,1,0]=3 366 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [0,1,0,0,0,0|1,1,0]=3 367 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [0,1,0,0,0,0|3,0,0]=4 368 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [0,1,0,0,0,0|3,0,0]=4 369 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [0,1,0,0,0,0|3,0,0]=4 370 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [0,1,0,0,0,0|3,0,0]=4 371 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [0,1,0,0,0,0|3,0,0]=4 372 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [0,1,0,0,0,0|3,0,0]=4 373 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [0,1,0,0,0,0|3,0,0]=4 374 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [0,1,0,0,0,0|3,0,0]=4 375 B6R0.1 CCN(C)COC 2230a_100000225621_100000766300 [0,1,0,0,0,0|2,0,0]=3 376 B6R0.1 CCN(C)COC 269982a_100000225621_100000766300 [0,1,0,0,0,0|2,0,0]=3 377 B6R0.1 CCN(C)CSC 2230a_100000225621_100011218213 [0,1,0,0,0,0|2,1,0]=4 378 B6R0.1 CCN(C)CSC 269982a_100000225621_100011218213 [0,1,0,0,0,0|2,1,0]=4 379 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [0,1,0,0,0,0|3,0,0]=4 380 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [0,1,0,0,0,0|3,0,0]=4 381 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [0,1,0,0,0,0|3,0,0]=4 382 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [0,1,0,0,0,0|3,0,0]=4 383 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [0,1,0,0,0,0|3,0,0]=4 384 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [0,1,0,0,0,0|3,0,0]=4 385 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [0,1,0,0,0,0|2,0,0]=3 386 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [0,1,0,0,0,0|2,0,0]=3 387 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [0,1,0,0,0,0|2,0,0]=3 388 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [0,1,0,0,0,0|2,0,0]=3 389 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [0,1,0,0,0,0|2,0,0]=3 390 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [0,1,0,0,0,0|1,0,0]=2 391 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [0,1,0,0,0,0|1,0,0]=2 392 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [0,1,0,0,0,0|1,0,0]=2 393 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [0,1,0,0,0,0|1,1,0]=3 394 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [0,1,0,0,0,0|1,1,0]=3 395 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [0,1,0,0,0,0|1,1,0]=3 396 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [0,1,0,0,0,0|1,1,0]=3 397 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [0,1,0,0,0,0|2,0,1]=4 398 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [0,1,0,0,0,0|1,0,1]=3 399 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [0,1,0,0,0,0|1,0,1]=3 400 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [0,1,0,0,0,0|1,0,1]=3 401 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [0,1,0,0,0,0|1,0,1]=3 402 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [0,1,0,0,0,0|1,0,1]=3 403 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [0,1,0,0,0,0|1,0,1]=3 404 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [0,1,0,0,0,0|1,0,1]=3 405 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [0,1,0,0,0,0|1,1,1]=4 406 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [0,1,0,0,0,0|1,1,1]=4 407 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [0,1,0,0,0,0|1,1,1]=4 408 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [0,1,0,0,0,0|1,1,1]=4 409 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [0,1,0,0,0,0|1,1,1]=4 410 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [0,1,0,0,0,0|1,1,1]=4 411 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [0,1,0,0,0,0|1,1,1]=4 412 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [0,1,0,0,0,0|1,1,1]=4 413 B6R0.1 CNC(C)CC#N 2230a_106832991635_100009813641 [0,1,0,0,0,0|3,0,0]=4 414 B6R0.1 CNC(C)CC#N 7a_106832991635_100009813641 [0,1,0,0,0,0|3,0,0]=4 415 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [0,1,0,0,0,0|3,0,0]=4 416 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [0,1,0,0,0,0|3,0,0]=4 417 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [0,1,0,0,0,0|3,0,0]=4 418 B6R0.1 CNC(C)COC 2230a_106832991635_100000765312 [0,1,0,0,0,0|1,0,0]=2 419 B6R0.1 CNC(C)COC 270004a_106832991635_100000749346 [0,1,0,0,0,0|1,0,0]=2 420 B6R0.1 CNC(C)COC 34a_100102657272_100000765312 [0,1,0,0,0,0|1,0,0]=2 421 B6R0.1 CNC(C)COC 7a_106832991635_100000765312 [0,1,0,0,0,0|1,0,0]=2 422 B6R0.1 CNC(C)CSC 270004a_106832991635_100011216314 [0,1,0,0,0,0|1,1,0]=3 423 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [0,1,0,0,0,0|2,0,1]=4 424 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [0,1,0,0,0,0|2,0,1]=4 425 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [0,1,0,0,0,0|2,0,1]=4 426 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [0,1,0,0,0,0|2,0,1]=4 427 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [0,1,0,0,0,0|1,0,1]=3 428 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [0,1,0,0,0,0|1,0,1]=3 429 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [0,1,0,0,0,0|1,0,1]=3 430 B6R0.1 CNCC(C)CO 34a_100000744482_200000210301 [0,1,0,0,0,0|3,0,0]=4 431 B6R0.1 CNCC(O)CO 2230a_106832991635_100011219619 [0,1,0,0,0,0|3,0,0]=4 432 B6R0.1 CNCC(O)CO 34a_100102657272_100011219619 [0,1,0,0,0,0|3,0,0]=4 433 B6R0.1 CNCC(O)CO 7a_106832991635_100011219619 [0,1,0,0,0,0|3,0,0]=4 434 B6R0.1 CNC[C@@H](C)CO 2230a_106832991635_100000059175 [0,1,0,0,0,0|3,0,0]=4 435 B6R0.1 CNC[C@@H](C)CO 34a_100102657272_100000059175 [0,1,0,0,0,0|3,0,0]=4 436 B6R0.1 CNC[C@@H](C)CO 7a_106832991635_100000059175 [0,1,0,0,0,0|3,0,0]=4 437 B6R0.1 CNC[C@@H](C)OC 2230a_100020591295_200000210301 [0,1,0,0,0,0|1,0,0]=2 438 B6R0.1 CNC[C@@H](F)CO 34a_100015665980_200000210301 [0,1,0,0,0,0|3,0,0]=4 439 B6R0.1 CNC[C@@H](O)CF 2230a_106832991635_100015614560 [0,1,0,0,0,0|3,0,0]=4 440 B6R0.1 CNC[C@@H](O)CF 34a_100102657272_100015614560 [0,1,0,0,0,0|3,0,0]=4 441 B6R0.1 CNC[C@@H](O)CF 7a_106832991635_100015614560 [0,1,0,0,0,0|3,0,0]=4 442 B6R0.1 CNC[C@@H](O)CO 2230a_106832991635_100009815848 [0,1,0,0,0,0|3,0,0]=4 443 B6R0.1 CNC[C@@H](O)CO 34a_100102657272_100009815848 [0,1,0,0,0,0|3,0,0]=4 444 B6R0.1 CNC[C@@H](O)CO 7a_106832991635_100009815848 [0,1,0,0,0,0|3,0,0]=4 445 B6R0.1 CNC[C@H](O)CO 2230a_100020644852_200000210301 [0,1,0,0,0,0|3,0,0]=4 446 B6R0.1 CN[C@@H](C)CC#N 2230a_100016994482_200000210301 [0,1,0,0,0,0|3,0,0]=4 447 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [0,1,0,0,0,0|3,0,0]=4 448 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [0,1,0,0,0,0|3,0,0]=4 449 B6R0.1 CN[C@H](C)COC 2230a_100000764878_200000210301 [0,1,0,0,0,0|1,0,0]=2 450 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [0,1,0,0,0,0|0,1,1]=3 451 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [0,1,0,0,0,0|0,1,1]=3 452 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [0,1,0,0,0,0|0,1,1]=3 453 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [0,1,0,0,0,0|0,1,1]=3 454 B6R0.1 COC(C)CCBr 34a_100012276601_200000210301 [0,1,0,0,0,0|2,0,0]=3 455 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [0,1,0,0,0,0|2,0,0]=3 456 B6R0.1 COC(C)CO[13CH3] 34a_100000690652_200025704644 [0,1,0,0,0,0|0,0,0]=1 457 B6R0.1 COC(C)SCF 62a_100009879195_100015361967 [0,1,0,0,0,0|3,0,0]=4 458 B6R0.1 COC(C)SCF 62a_100015361967_100009879195 [0,1,0,0,0,0|3,0,0]=4 459 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [0,1,0,0,0,0|2,0,1]=4 460 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [0,1,0,0,0,0|0,0,1]=2 461 B6R0.1 COCC(C)CN 34a_100000744482_200000210301 [0,1,0,0,0,0|2,0,0]=3 462 B6R0.1 COCC(C)OC 34a_100000690652_200000210301 [0,1,0,0,0,0|0,0,0]=1 463 B6R0.1 COCC(C)OC 34a_100138415774_100000765312 [0,1,0,0,0,0|0,0,0]=1 464 B6R0.1 COCC(C)SC 62a_100000765312_200000210301 [0,1,0,0,0,0|0,1,0]=2 465 B6R0.1 COCC(C)SC 62a_200000210301_100000765312 [0,1,0,0,0,0|0,1,0]=2 466 B6R0.1 COCC(C)S[13CH3] 62a_100000765312_200025704644 [0,1,0,0,0,0|0,1,0]=2 467 B6R0.1 COCC(C)S[13CH3] 62a_200025704644_100000765312 [0,1,0,0,0,0|0,1,0]=2 468 B6R0.1 COCC(Cl)CCl 34a_100000033668_200000210301 [0,1,0,0,0,0|2,0,0]=3 469 B6R0.1 COCC(O)CO 34a_100138415774_100011219619 [0,1,0,0,0,0|2,0,0]=3 470 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [0,1,0,0,0,0|2,0,0]=3 471 B6R0.1 COC[C@@H](C)N[13CH3] 2230a_100000764878_200025704644 [0,1,0,0,0,0|1,0,0]=2 472 B6R0.1 COC[C@@H](C)OC 34a_100011934205_200000210301 [0,1,0,0,0,0|0,0,0]=1 473 B6R0.1 COC[C@@H](C)O[13CH3] 34a_100011934205_200025704644 [0,1,0,0,0,0|0,0,0]=1 474 B6R0.1 COC[C@@H](O)CF 34a_100138415774_100015614560 [0,1,0,0,0,0|2,0,0]=3 475 B6R0.1 COC[C@@H](O)CO 34a_100138415774_100009815848 [0,1,0,0,0,0|2,0,0]=3 476 B6R0.1 COC[C@H](F)CN 34a_100015665980_200000210301 [0,1,0,0,0,0|2,0,0]=3 477 B6R0.1 CO[C@H](C)CN[13CH3] 2230a_100020591295_200025704644 [0,1,0,0,0,0|1,0,0]=2 478 B6R0.1 CSC(C)CC#N 62a_100009813641_200000210301 [0,1,0,0,0,0|2,1,0]=4 479 B6R0.1 CSC(C)CC#N 62a_200000210301_100009813641 [0,1,0,0,0,0|2,1,0]=4 480 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [0,1,0,0,0,0|2,1,0]=4 481 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [0,1,0,0,0,0|2,1,0]=4 482 B6R0.1 CSCC(O)CO 62a_100011219619_200000210301 [0,1,0,0,0,0|2,1,0]=4 483 B6R0.1 CSCC(O)CO 62a_200000210301_100011219619 [0,1,0,0,0,0|2,1,0]=4 484 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [0,1,0,0,0,0|2,1,0]=4 485 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [0,1,0,0,0,0|2,1,0]=4 486 B6R0.1 CSC[C@@H](O)CF 62a_100015614560_200000210301 [0,1,0,0,0,0|2,1,0]=4 487 B6R0.1 CSC[C@@H](O)CF 62a_200000210301_100015614560 [0,1,0,0,0,0|2,1,0]=4 488 B6R0.1 CSC[C@@H](O)CO 62a_100009815848_200000210301 [0,1,0,0,0,0|2,1,0]=4 489 B6R0.1 CSC[C@@H](O)CO 62a_200000210301_100009815848 [0,1,0,0,0,0|2,1,0]=4 490 B6R0.1 C[C@@H](CC#N)N[13CH3] 2230a_100016994482_200025704644 [0,1,0,0,0,0|3,0,0]=4 491 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [0,1,0,0,0,0|2,1,0]=4 492 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [0,1,0,0,0,0|2,1,0]=4 493 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [0,1,0,0,0,0|3,0,0]=4 494 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [0,1,0,0,0,0|3,0,0]=4 495 B6R0.1 [13CH3]NC[C@@H](F)CO 34a_100015665980_200025704644 [0,1,0,0,0,0|3,0,0]=4 496 B6R0.1 [13CH3]NC[C@H](O)CO 2230a_100020644852_200025704644 [0,1,0,0,0,0|3,0,0]=4 497 B6R0.1 [13CH3]OCC(Cl)CCl 34a_100000033668_200025704644 [0,1,0,0,0,0|2,0,0]=3 498 B6R0.1 [13CH3]OC[C@H](F)CN 34a_100015665980_200025704644 [0,1,0,0,0,0|2,0,0]=3 499 B6R0.1 [13CH3]SCC(O)CO 62a_100011219619_200025704644 [0,1,0,0,0,0|2,1,0]=4 500 B6R0.1 [13CH3]SCC(O)CO 62a_200025704644_100011219619 [0,1,0,0,0,0|2,1,0]=4 501 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_100015614560_200025704644 [0,1,0,0,0,0|2,1,0]=4 502 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_200025704644_100015614560 [0,1,0,0,0,0|2,1,0]=4 503 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_100009815848_200025704644 [0,1,0,0,0,0|2,1,0]=4 504 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_200025704644_100009815848 [0,1,0,0,0,0|2,1,0]=4 505 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [0,1,0,0,0,0|2,0,1]=4 506 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [0,1,0,0,0,0|2,0,1]=4 507 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [0,1,0,0,0,0|2,0,1]=4 508 B6R0.4 C#CCCN(C)C 2230a_100102631434_100000688953 [0,1,0,0,0,0|2,0,1]=4 509 B6R0.4 C#CCCN(C)C 269982a_100102631434_100000730999 [0,1,0,0,0,0|2,0,1]=4 510 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [0,1,0,0,0,0|2,0,1]=4 511 B6R0.4 C/C=C/CN(C)C 269982a_100102631434_100102629194 [0,1,0,0,0,0|2,0,1]=4 512 B6R0.4 C=C(Br)CCOC 34a_100009813270_200000210301 [0,1,0,0,0,0|1,0,1]=3 513 B6R0.4 C=C(Br)CCO[13CH3] 34a_100009813270_200025704644 [0,1,0,0,0,0|1,0,1]=3 514 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [0,1,0,0,0,0|2,0,0]=3 515 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [0,1,0,0,0,0|2,0,0]=3 516 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [0,1,0,0,0,0|2,0,0]=3 517 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [0,1,0,0,0,0|1,0,0]=2 518 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [0,1,0,0,0,0|1,0,0]=2 519 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [0,1,0,0,0,0|1,0,0]=2 520 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [0,1,0,0,0,0|1,1,0]=3 521 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [0,1,0,0,0,0|1,1,0]=3 522 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [0,1,0,0,0,0|1,1,0]=3 523 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [0,1,0,0,0,0|1,1,0]=3 524 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [0,1,0,0,0,0|3,0,0]=4 525 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [0,1,0,0,0,0|3,0,0]=4 526 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [0,1,0,0,0,0|3,0,0]=4 527 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [0,1,0,0,0,0|3,0,0]=4 528 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [0,1,0,0,0,0|3,0,0]=4 529 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [0,1,0,0,0,0|2,0,1]=4 530 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [0,1,0,0,0,0|2,0,1]=4 531 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [0,1,0,0,0,0|2,0,1]=4 532 B6R0.4 C=CCCN(C)C 2230a_100020639649_200000210301 [0,1,0,0,0,0|2,0,1]=4 533 B6R0.4 C=CCCN(C)C 2230a_100102631434_100000754431 [0,1,0,0,0,0|2,0,1]=4 534 B6R0.4 C=CCCN(C)C 269982a_100020639649_200000210301 [0,1,0,0,0,0|2,0,1]=4 535 B6R0.4 C=CCCN(C)C 269982a_100102631434_100000754431 [0,1,0,0,0,0|2,0,1]=4 536 B6R0.4 C=CCCN(C)[13CH3] 2230a_100020639649_200025704644 [0,1,0,0,0,0|2,0,1]=4 537 B6R0.4 C=CCCN(C)[13CH3] 269982a_100020639649_200025704644 [0,1,0,0,0,0|2,0,1]=4 538 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [0,1,0,0,0,0|2,0,1]=4 539 B6R0.4 CC#CCN(C)C 2230a_100102631434_100000748600 [0,1,0,0,0,0|2,0,1]=4 540 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [0,1,0,0,0,0|2,0,1]=4 541 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [0,1,0,0,0,0|1,0,1]=3 542 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [0,1,0,0,0,0|1,1,1]=4 543 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [0,1,0,0,0,0|1,1,1]=4 544 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [0,1,0,0,0,0|3,0,0]=4 545 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [0,1,0,0,0,0|3,0,0]=4 546 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [0,1,0,0,0,0|3,0,0]=4 547 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [0,1,0,0,0,0|3,0,0]=4 548 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [0,1,0,0,0,0|1,0,0]=2 549 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [0,1,0,0,0,0|1,0,0]=2 550 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [0,1,0,0,0,0|1,1,0]=3 551 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [0,1,0,0,0,0|1,1,0]=3 552 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [0,1,0,0,0,0|2,1,0]=4 553 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [0,1,0,0,0,0|2,1,0]=4 554 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [0,1,0,0,0,0|1,0,0]=2 555 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [0,1,0,0,0,0|1,0,0]=2 556 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [0,1,0,0,0,0|1,0,0]=2 557 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [0,1,0,0,0,0|1,1,0]=3 558 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [0,1,0,0,0,0|1,1,0]=3 559 B6R0.4 CC(C)OCS[13CH3] 62a_100000709892_200025704644 [0,1,0,0,0,0|2,1,0]=4 560 B6R0.4 CC(C)OCS[13CH3] 62a_200025704644_100000709892 [0,1,0,0,0,0|2,1,0]=4 561 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [0,1,0,0,0,0|2,0,0]=3 562 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [0,1,0,0,0,0|1,1,0]=3 563 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [0,1,0,0,0,0|1,1,0]=3 564 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [0,1,0,0,0,0|2,0,1]=4 565 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [0,1,0,0,0,0|2,0,1]=4 566 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [0,1,0,0,0,0|2,0,1]=4 567 B6R0.4 CC=CCN(C)C 2230a_100102631434_100000070051 [0,1,0,0,0,0|2,0,1]=4 568 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [0,1,0,0,0,0|2,0,0]=3 569 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [0,1,0,0,0,0|2,0,0]=3 570 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [0,1,0,0,0,0|2,0,0]=3 571 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [0,1,0,0,0,0|2,0,0]=3 572 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [0,1,0,0,0,0|2,0,0]=3 573 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [0,1,0,0,0,0|2,0,0]=3 574 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [0,1,0,0,0,0|2,0,0]=3 575 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [0,1,0,0,0,0|2,0,0]=3 576 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [0,1,0,0,0,0|2,0,0]=3 577 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [0,1,0,0,0,0|3,0,0]=4 578 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [0,1,0,0,0,0|3,0,0]=4 579 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [0,1,0,0,0,0|3,0,0]=4 580 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [0,1,0,0,0,0|3,0,0]=4 581 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [0,1,0,0,0,0|3,0,0]=4 582 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [0,1,0,0,0,0|3,0,0]=4 583 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [0,1,0,0,0,0|3,0,0]=4 584 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [0,1,0,0,0,0|3,0,0]=4 585 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [0,1,0,0,0,0|3,0,0]=4 586 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [0,1,0,0,0,0|3,0,0]=4 587 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [0,1,0,0,0,0|3,0,0]=4 588 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [0,1,0,0,0,0|3,0,0]=4 589 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [0,1,0,0,0,0|3,0,0]=4 590 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [0,1,0,0,0,0|3,0,0]=4 591 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [0,1,0,0,0,0|3,0,0]=4 592 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [0,1,0,0,0,0|3,0,0]=4 593 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [0,1,0,0,0,0|3,0,0]=4 594 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [0,1,0,0,0,0|3,0,0]=4 595 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [0,1,0,0,0,0|3,0,0]=4 596 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [0,1,0,0,0,0|3,0,0]=4 597 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [0,1,0,0,0,0|3,0,0]=4 598 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [0,1,0,0,0,0|3,0,0]=4 599 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [0,1,0,0,0,0|3,0,0]=4 600 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [0,1,0,0,0,0|3,0,0]=4 601 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [0,1,0,0,0,0|3,0,0]=4 602 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [0,1,0,0,0,0|3,0,0]=4 603 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [0,1,0,0,0,0|3,0,0]=4 604 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [0,1,0,0,0,0|3,0,0]=4 605 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [0,1,0,0,0,0|3,0,0]=4 606 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [0,1,0,0,0,0|3,0,0]=4 607 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [0,1,0,0,0,0|3,0,0]=4 608 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [0,1,0,0,0,0|3,0,0]=4 609 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [0,1,0,0,0,0|3,0,0]=4 610 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [0,1,0,0,0,0|3,0,0]=4 611 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [0,1,0,0,0,0|3,0,0]=4 612 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [0,1,0,0,0,0|3,0,0]=4 613 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [0,1,0,0,0,0|3,0,0]=4 614 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [0,1,0,0,0,0|3,0,0]=4 615 B6R0.4 CN(C)CCC#N 2230a_100000184479_200000210301 [0,1,0,0,0,0|3,0,0]=4 616 B6R0.4 CN(C)CCC#N 2230a_100102631434_100011215226 [0,1,0,0,0,0|3,0,0]=4 617 B6R0.4 CN(C)CCC#N 269982a_100102631434_100011215226 [0,1,0,0,0,0|3,0,0]=4 618 B6R0.4 CN(C)CCCF 2230a_100102631434_100011934791 [0,1,0,0,0,0|3,0,0]=4 619 B6R0.4 CN(C)CCCF 269982a_100102631434_100011934791 [0,1,0,0,0,0|3,0,0]=4 620 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [0,1,0,0,0,0|3,0,0]=4 621 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [0,1,0,0,0,0|3,0,0]=4 622 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [0,1,0,0,0,0|3,0,0]=4 623 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [0,1,0,0,0,0|3,0,0]=4 624 B6R0.4 CN(C)CCS[13CH3] 62a_200025704644_100000755713 [0,1,0,0,0,0|1,1,0]=3 625 B6R0.4 CN([13CH3])CCC#N 2230a_100000184479_200025704644 [0,1,0,0,0,0|3,0,0]=4 626 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [0,1,0,0,0,0|3,0,0]=4 627 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [0,1,0,0,0,0|3,0,0]=4 628 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [0,1,0,0,0,0|2,0,1]=4 629 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [0,1,0,0,0,0|2,0,1]=4 630 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [0,1,0,0,0,0|2,0,1]=4 631 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [0,1,0,0,0,0|2,0,1]=4 632 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [0,1,0,0,0,0|2,0,0]=3 633 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [0,1,0,0,0,0|3,0,0]=4 634 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [0,1,0,0,0,0|3,0,0]=4 635 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [0,1,0,0,0,0|3,0,0]=4 636 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [0,1,0,0,0,0|2,0,0]=3 637 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [0,1,0,0,0,0|2,0,0]=3 638 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [0,1,0,0,0,0|2,0,0]=3 639 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [0,1,0,0,0,0|2,0,0]=3 640 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [0,1,0,0,0,0|2,0,0]=3 641 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [0,1,0,0,0,0|2,0,0]=3 642 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [0,1,0,0,0,0|2,0,0]=3 643 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [0,1,0,0,0,0|2,0,0]=3 644 B6R0.4 CNCCN(C)C 7a_106832991635_100000755713 [0,1,0,0,0,0|2,0,0]=3 645 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [0,1,0,0,0,0|3,0,0]=4 646 B6R0.4 CNCOC(C)C 2230a_106832991635_100000709892 [0,1,0,0,0,0|3,0,0]=4 647 B6R0.4 CNCOC(C)C 34a_100102657272_100000709892 [0,1,0,0,0,0|3,0,0]=4 648 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [0,1,0,0,0,0|1,0,2]=4 649 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [0,1,0,0,0,0|1,0,2]=4 650 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [0,1,0,0,0,0|1,0,1]=3 651 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [0,1,0,0,0,0|1,0,1]=3 652 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [0,1,0,0,0,0|1,0,0]=2 653 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [0,1,0,0,0,0|1,0,0]=2 654 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [0,1,0,0,0,0|1,0,0]=2 655 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [0,1,0,0,0,0|1,0,0]=2 656 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [0,1,0,0,0,0|2,0,0]=3 657 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [0,1,0,0,0,0|2,0,0]=3 658 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [0,1,0,0,0,0|2,0,0]=3 659 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [0,1,0,0,0,0|1,0,0]=2 660 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [0,1,0,0,0,0|1,0,0]=2 661 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [0,1,0,0,0,0|1,0,0]=2 662 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [0,1,0,0,0,0|1,0,0]=2 663 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [0,1,0,0,0,0|1,0,0]=2 664 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [0,1,0,0,0,0|1,0,0]=2 665 B6R0.4 COCCC(F)F 34a_100103093639_200000210301 [0,1,0,0,0,0|2,0,0]=3 666 B6R0.4 COCCN(C)C 2230a_100000743101_200000210301 [0,1,0,0,0,0|1,0,0]=2 667 B6R0.4 COCCN(C)C 2230a_100102631434_100011201679 [0,1,0,0,0,0|1,0,0]=2 668 B6R0.4 COCCN(C)C 269982a_100000743101_200000210301 [0,1,0,0,0,0|1,0,0]=2 669 B6R0.4 COCCN(C)C 269982a_100102631434_100000233755 [0,1,0,0,0,0|1,0,0]=2 670 B6R0.4 COCCN(C)[13CH3] 2230a_100000743101_200025704644 [0,1,0,0,0,0|1,0,0]=2 671 B6R0.4 COCCN(C)[13CH3] 269982a_100000743101_200025704644 [0,1,0,0,0,0|1,0,0]=2 672 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [0,1,0,0,0,0|1,0,0]=2 673 B6R0.4 COCNC(C)C 2230a_100138425928_100000766300 [0,1,0,0,0,0|2,0,0]=3 674 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [0,1,0,0,0,0|2,0,0]=3 675 B6R0.4 COCOC(C)C 34a_100138415774_100000709892 [0,1,0,0,0,0|2,0,0]=3 676 B6R0.4 COCSC(C)C 62a_100000210206_100000766300 [0,1,0,0,0,0|2,0,0]=3 677 B6R0.4 COCSC(C)C 62a_100000766300_100000210206 [0,1,0,0,0,0|2,0,0]=3 678 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [0,1,0,0,0,0|1,1,1]=4 679 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [0,1,0,0,0,0|1,1,1]=4 680 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [0,1,0,0,0,0|1,1,0]=3 681 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [0,1,0,0,0,0|1,1,0]=3 682 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [0,1,0,0,0,0|1,1,0]=3 683 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [0,1,0,0,0,0|1,1,0]=3 684 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [0,1,0,0,0,0|2,1,0]=4 685 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [0,1,0,0,0,0|2,1,0]=4 686 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [0,1,0,0,0,0|1,1,0]=3 687 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [0,1,0,0,0,0|1,1,0]=3 688 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [0,1,0,0,0,0|1,1,0]=3 689 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [0,1,0,0,0,0|1,1,0]=3 690 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [0,1,0,0,0,0|1,1,0]=3 691 B6R0.4 CSCCN(C)C 2230a_100000686725_200000210301 [0,1,0,0,0,0|1,1,0]=3 692 B6R0.4 CSCCN(C)C 2230a_100102631434_100000751147 [0,1,0,0,0,0|1,1,0]=3 693 B6R0.4 CSCCN(C)C 269982a_100000686725_200000210301 [0,1,0,0,0,0|1,1,0]=3 694 B6R0.4 CSCCN(C)C 269982a_100102631434_100000212216 [0,1,0,0,0,0|1,1,0]=3 695 B6R0.4 CSCCN(C)C 62a_200000210301_100000755713 [0,1,0,0,0,0|1,1,0]=3 696 B6R0.4 CSCCN(C)[13CH3] 2230a_100000686725_200025704644 [0,1,0,0,0,0|1,1,0]=3 697 B6R0.4 CSCCN(C)[13CH3] 269982a_100000686725_200025704644 [0,1,0,0,0,0|1,1,0]=3 698 B6R0.4 CSCNC(C)C 2230a_100138425928_100011218213 [0,1,0,0,0,0|2,1,0]=4 699 B6R0.4 CSCNC(C)C 34a_100138425928_100011218213 [0,1,0,0,0,0|2,1,0]=4 700 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [0,1,0,0,0,0|2,1,0]=4 701 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [0,1,0,0,0,0|2,1,0]=4 702 B6R0.4 CSCOC(C)C 34a_100000212225_100011218213 [0,1,0,0,0,0|2,1,0]=4 703 B6R0.4 CSCOC(C)C 62a_100000709892_200000210301 [0,1,0,0,0,0|2,1,0]=4 704 B6R0.4 CSCOC(C)C 62a_200000210301_100000709892 [0,1,0,0,0,0|2,1,0]=4 705 B6R0.4 CSCSC(C)C 62a_100000210206_100011218213 [0,1,0,0,0,0|2,1,0]=4 706 B6R0.4 CSCSC(C)C 62a_100011218213_100000210206 [0,1,0,0,0,0|2,1,0]=4 707 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [0,1,0,0,0,0|1,0,0]=2 708 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [0,1,0,0,0,0|3,0,0]=4 709 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [0,1,0,0,0,0|2,0,0]=3 710 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [0,1,0,0,0,0|2,0,0]=3 711 B6R0.4 [13CH3]OCCC(F)F 34a_100103093639_200025704644 [0,1,0,0,0,0|2,0,0]=3 712 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [0,1,0,0,0,0|2,1,0]=4 713 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [0,1,0,0,0,0|2,1,0]=4 714 B6R0.6 C#CCCCNC 2230a_106832991635_100000731252 [0,1,0,0,0,0|2,0,1]=4 715 B6R0.6 C#CCCCNC 34a_100000718082_200000210301 [0,1,0,0,0,0|2,0,1]=4 716 B6R0.6 C#CCCCNC 34a_100102657272_100000695029 [0,1,0,0,0,0|2,0,1]=4 717 B6R0.6 C#CCCCNC 7a_106832991635_100011215417 [0,1,0,0,0,0|2,0,1]=4 718 B6R0.6 C#CCCCN[13CH3] 34a_100000718082_200025704644 [0,1,0,0,0,0|2,0,1]=4 719 B6R0.6 C#CCCCOC 34a_100000215630_200000210301 [0,1,0,0,0,0|1,0,1]=3 720 B6R0.6 C#CCCCOC 34a_100138415774_100000695029 [0,1,0,0,0,0|1,0,1]=3 721 B6R0.6 C#CCCCOC 7a_100000215630_200000210301 [0,1,0,0,0,0|1,0,1]=3 722 B6R0.6 C#CCCCO[13CH3] 34a_100000215630_200025704644 [0,1,0,0,0,0|1,0,1]=3 723 B6R0.6 C#CCCCO[13CH3] 7a_100000215630_200025704644 [0,1,0,0,0,0|1,0,1]=3 724 B6R0.6 C#CCCCSC 62a_100011215417_200000210301 [0,1,0,0,0,0|1,1,1]=4 725 B6R0.6 C#CCCCSC 62a_200000210301_100011215417 [0,1,0,0,0,0|1,1,1]=4 726 B6R0.6 C#CCCCS[13CH3] 62a_100011215417_200025704644 [0,1,0,0,0,0|1,1,1]=4 727 B6R0.6 C#CCCCS[13CH3] 62a_200025704644_100011215417 [0,1,0,0,0,0|1,1,1]=4 728 B6R0.6 C#CCCNCC 2230a_100015525214_100000688953 [0,1,0,0,0,0|2,0,1]=4 729 B6R0.6 C#CCCNCC 34a_100000755551_100000210202 [0,1,0,0,0,0|2,0,1]=4 730 B6R0.6 C#CCCNCF 34a_100000755551_100015361967 [0,1,0,0,0,0|2,0,1]=4 731 B6R0.6 C#CCCOCC 34a_100011215631_100000210202 [0,1,0,0,0,0|1,0,1]=3 732 B6R0.6 C#CCCOCC 34a_100121572206_100000688953 [0,1,0,0,0,0|1,0,1]=3 733 B6R0.6 C#CCCOCF 34a_100011215631_100015361967 [0,1,0,0,0,0|1,0,1]=3 734 B6R0.6 C#CCCSCC 62a_100000210202_100000688953 [0,1,0,0,0,0|1,1,1]=4 735 B6R0.6 C#CCCSCC 62a_100000688953_100000210202 [0,1,0,0,0,0|1,1,1]=4 736 B6R0.6 C#CCCSCF 62a_100000688953_100015361967 [0,1,0,0,0,0|1,1,1]=4 737 B6R0.6 C#CCCSCF 62a_100015361967_100000688953 [0,1,0,0,0,0|1,1,1]=4 738 B6R0.6 C#CCNCCC 34a_100000212058_100000210303 [0,1,0,0,0,0|2,0,1]=4 739 B6R0.6 C#CCNCSC 34a_100000212058_100011218213 [0,1,0,0,0,0|1,1,1]=4 740 B6R0.6 C#CCOCCC 34a_100000210247_100000210303 [0,1,0,0,0,0|2,0,1]=4 741 B6R0.6 C#CCOCCC 34a_100000210258_100000184674 [0,1,0,0,0,0|2,0,1]=4 742 B6R0.6 C#CCOCSC 34a_100000210247_100011218213 [0,1,0,0,0,0|1,1,1]=4 743 B6R0.6 C#CCSCCC 62a_100000038162_100000210303 [0,1,0,0,0,0|2,0,1]=4 744 B6R0.6 C#CCSCOC 62a_100000038162_100000766300 [0,1,0,0,0,0|1,0,1]=3 745 B6R0.6 C#CCSCSC 62a_100000038162_100011218213 [0,1,0,0,0,0|1,1,1]=4 746 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [0,1,0,0,0,0|1,0,0]=2 747 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [0,1,0,0,0,0|1,0,0]=2 748 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [0,1,0,0,0,0|1,0,1]=3 749 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [0,1,0,0,0,0|1,0,1]=3 750 B6R0.6 C/C=C/COCF 34a_100016270725_100015361967 [0,1,0,0,0,0|1,0,1]=3 751 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [0,1,0,0,0,0|1,1,1]=4 752 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [0,1,0,0,0,0|1,1,1]=4 753 B6R0.6 C/C=C/CSCF 62a_100015361967_100102629194 [0,1,0,0,0,0|1,1,1]=4 754 B6R0.6 C/C=C/CSCF 62a_100102629194_100015361967 [0,1,0,0,0,0|1,1,1]=4 755 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [0,1,0,0,0,0|2,0,1]=4 756 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [0,1,0,0,0,0|2,0,1]=4 757 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [0,1,0,0,0,0|2,0,1]=4 758 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [0,1,0,0,0,0|2,0,1]=4 759 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [0,1,0,0,0,0|2,0,1]=4 760 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [0,1,0,0,0,0|2,0,1]=4 761 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [0,1,0,0,0,0|2,0,1]=4 762 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [0,1,0,0,0,0|1,0,1]=3 763 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [0,1,0,0,0,0|1,0,1]=3 764 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [0,1,0,0,0,0|1,0,1]=3 765 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [0,1,0,0,0,0|1,0,1]=3 766 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [0,1,0,0,0,0|1,0,1]=3 767 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [0,1,0,0,0,0|1,1,1]=4 768 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [0,1,0,0,0,0|1,1,1]=4 769 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [0,1,0,0,0,0|1,1,1]=4 770 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [0,1,0,0,0,0|1,1,1]=4 771 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [0,1,0,0,0,0|2,0,1]=4 772 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [0,1,0,0,0,0|2,0,1]=4 773 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [0,1,0,0,0,0|1,0,1]=3 774 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [0,1,0,0,0,0|1,0,1]=3 775 B6R0.6 C=CCCOCF 34a_100011205117_100015361967 [0,1,0,0,0,0|1,0,1]=3 776 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [0,1,0,0,0,0|1,1,1]=4 777 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [0,1,0,0,0,0|1,1,1]=4 778 B6R0.6 C=CCCSCF 62a_100000754431_100015361967 [0,1,0,0,0,0|1,1,1]=4 779 B6R0.6 C=CCCSCF 62a_100015361967_100000754431 [0,1,0,0,0,0|1,1,1]=4 780 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [0,1,0,0,0,0|2,0,1]=4 781 B6R0.6 C=CCNCOC 2230a_100020586998_100000766300 [0,1,0,0,0,0|1,0,1]=3 782 B6R0.6 C=CCNCSC 2230a_100020586998_100011218213 [0,1,0,0,0,0|1,1,1]=4 783 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [0,1,0,0,0,0|2,0,1]=4 784 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [0,1,0,0,0,0|2,0,1]=4 785 B6R0.6 C=CCOCSC 34a_200000210373_100011218213 [0,1,0,0,0,0|1,1,1]=4 786 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [0,1,0,0,0,0|2,0,1]=4 787 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [0,1,0,0,0,0|2,0,1]=4 788 B6R0.6 C=CCSCOC 62a_100000210623_100000766300 [0,1,0,0,0,0|1,0,1]=3 789 B6R0.6 C=CCSCOC 62a_100000766300_100000210623 [0,1,0,0,0,0|1,0,1]=3 790 B6R0.6 C=CCSCSC 62a_100000210623_100011218213 [0,1,0,0,0,0|1,1,1]=4 791 B6R0.6 C=CCSCSC 62a_100011218213_100000210623 [0,1,0,0,0,0|1,1,1]=4 792 B6R0.6 C=COCCNC 2230a_106832991635_100000039644 [0,1,0,0,0,0|1,0,1]=3 793 B6R0.6 C=COCCNC 34a_100102657272_100000039644 [0,1,0,0,0,0|1,0,1]=3 794 B6R0.6 C=COCCNC 7a_106832991635_100000039644 [0,1,0,0,0,0|1,0,1]=3 795 B6R0.6 C=COCCOC 34a_100000033082_200000210301 [0,1,0,0,0,0|0,0,1]=2 796 B6R0.6 C=COCCOC 34a_100138415774_100000039644 [0,1,0,0,0,0|0,0,1]=2 797 B6R0.6 C=COCCO[13CH3] 34a_100000033082_200025704644 [0,1,0,0,0,0|0,0,1]=2 798 B6R0.6 C=COCCSC 62a_100000039644_200000210301 [0,1,0,0,0,0|0,1,1]=3 799 B6R0.6 C=COCCSC 62a_200000210301_100000039644 [0,1,0,0,0,0|0,1,1]=3 800 B6R0.6 C=COCCS[13CH3] 62a_100000039644_200025704644 [0,1,0,0,0,0|0,1,1]=3 801 B6R0.6 C=COCCS[13CH3] 62a_200025704644_100000039644 [0,1,0,0,0,0|0,1,1]=3 802 B6R0.6 CC#CCCOC 34a_100000750427_200000210301 [0,1,0,0,0,0|1,0,0]=2 803 B6R0.6 CC#CCCO[13CH3] 34a_100000750427_200025704644 [0,1,0,0,0,0|1,0,0]=2 804 B6R0.6 CC#CCNCC 2230a_100000685387_100000210202 [0,1,0,0,0,0|2,0,1]=4 805 B6R0.6 CC#CCNCC 2230a_100015525214_100000748600 [0,1,0,0,0,0|2,0,1]=4 806 B6R0.6 CC#CCNCC 34a_100000685387_100000210202 [0,1,0,0,0,0|2,0,1]=4 807 B6R0.6 CC#CCNCF 34a_100000685387_100015361967 [0,1,0,0,0,0|2,0,1]=4 808 B6R0.6 CC#CCOCC 34a_100000761923_100000210202 [0,1,0,0,0,0|1,0,1]=3 809 B6R0.6 CC#CCOCC 34a_100121572206_100000748600 [0,1,0,0,0,0|1,0,1]=3 810 B6R0.6 CC#CCOCF 34a_100000761923_100015361967 [0,1,0,0,0,0|1,0,1]=3 811 B6R0.6 CC#CCSCC 62a_100000210202_100000748600 [0,1,0,0,0,0|1,1,1]=4 812 B6R0.6 CC#CCSCC 62a_100000748600_100000210202 [0,1,0,0,0,0|1,1,1]=4 813 B6R0.6 CC#CCSCF 62a_100000748600_100015361967 [0,1,0,0,0,0|1,1,1]=4 814 B6R0.6 CC#CCSCF 62a_100015361967_100000748600 [0,1,0,0,0,0|1,1,1]=4 815 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [0,1,0,0,0,0|2,0,1]=4 816 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [0,1,0,0,0,0|2,0,1]=4 817 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [0,1,0,0,0,0|2,0,1]=4 818 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [0,1,0,0,0,0|1,0,1]=3 819 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [0,1,0,0,0,0|1,0,1]=3 820 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [0,1,0,0,0,0|1,0,1]=3 821 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [0,1,0,0,0,0|1,1,1]=4 822 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [0,1,0,0,0,0|1,1,1]=4 823 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [0,1,0,0,0,0|1,1,1]=4 824 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [0,1,0,0,0,0|1,1,1]=4 825 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [0,1,0,0,0,0|2,0,1]=4 826 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [0,1,0,0,0,0|1,0,1]=3 827 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [0,1,0,0,0,0|1,1,1]=4 828 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [0,1,0,0,0,0|1,1,1]=4 829 B6R0.6 CC=CCSCF 62a_100000070051_100015361967 [0,1,0,0,0,0|1,1,1]=4 830 B6R0.6 CC=CCSCF 62a_100015361967_100000070051 [0,1,0,0,0,0|1,1,1]=4 831 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [0,1,0,0,0,0|3,0,0]=4 832 B6R0.6 CCC#CCNC 2230a_106832991635_100009813939 [0,1,0,0,0,0|2,0,1]=4 833 B6R0.6 CCC#CCNC 34a_100102657272_100009813939 [0,1,0,0,0,0|2,0,1]=4 834 B6R0.6 CCC#CCNC 7a_106832991635_100009813939 [0,1,0,0,0,0|2,0,1]=4 835 B6R0.6 CCC#CCOC 34a_100000032950_200000210301 [0,1,0,0,0,0|1,0,1]=3 836 B6R0.6 CCC#CCOC 34a_100138415774_100009813939 [0,1,0,0,0,0|1,0,1]=3 837 B6R0.6 CCC#CCO[13CH3] 34a_100000032950_200025704644 [0,1,0,0,0,0|1,0,1]=3 838 B6R0.6 CCC#CCSC 62a_100009813939_200000210301 [0,1,0,0,0,0|1,1,1]=4 839 B6R0.6 CCC#CCSC 62a_200000210301_100009813939 [0,1,0,0,0,0|1,1,1]=4 840 B6R0.6 CCC#CCS[13CH3] 62a_100009813939_200025704644 [0,1,0,0,0,0|1,1,1]=4 841 B6R0.6 CCC#CCS[13CH3] 62a_200025704644_100009813939 [0,1,0,0,0,0|1,1,1]=4 842 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [0,1,0,0,0,0|2,0,0]=3 843 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [0,1,0,0,0,0|2,0,0]=3 844 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [0,1,0,0,0,0|2,0,0]=3 845 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [0,1,0,0,0,0|2,0,0]=3 846 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [0,1,0,0,0,0|2,0,0]=3 847 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [0,1,0,0,0,0|1,0,0]=2 848 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [0,1,0,0,0,0|1,0,0]=2 849 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [0,1,0,0,0,0|1,0,0]=2 850 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [0,1,0,0,0,0|1,0,0]=2 851 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [0,1,0,0,0,0|1,0,0]=2 852 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [0,1,0,0,0,0|1,1,0]=3 853 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [0,1,0,0,0,0|1,1,0]=3 854 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [0,1,0,0,0,0|1,1,0]=3 855 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [0,1,0,0,0,0|1,1,0]=3 856 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [0,1,0,0,0,0|2,0,0]=3 857 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [0,1,0,0,0,0|2,0,0]=3 858 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [0,1,0,0,0,0|2,0,0]=3 859 B6R0.6 CCCCNCF 7a_106832991798_100015361967 [0,1,0,0,0,0|2,0,0]=3 860 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [0,1,0,0,0,0|1,0,0]=2 861 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [0,1,0,0,0,0|1,0,0]=2 862 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [0,1,0,0,0,0|1,0,0]=2 863 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [0,1,0,0,0,0|1,0,0]=2 864 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [0,1,0,0,0,0|1,0,0]=2 865 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [0,1,0,0,0,0|1,1,0]=3 866 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [0,1,0,0,0,0|1,1,0]=3 867 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [0,1,0,0,0,0|1,1,0]=3 868 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [0,1,0,0,0,0|1,1,0]=3 869 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [0,1,0,0,0,0|3,0,0]=4 870 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [0,1,0,0,0,0|3,0,0]=4 871 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [0,1,0,0,0,0|3,0,0]=4 872 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [0,1,0,0,0,0|3,0,0]=4 873 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [0,1,0,0,0,0|3,0,0]=4 874 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [0,1,0,0,0,0|2,0,0]=3 875 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [0,1,0,0,0,0|3,0,0]=4 876 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [0,1,0,0,0,0|3,0,0]=4 877 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [0,1,0,0,0,0|3,0,0]=4 878 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [0,1,0,0,0,0|1,1,0]=3 879 B6R0.6 CCCSCC#N 62a_100000210303_100011215382 [0,1,0,0,0,0|3,0,0]=4 880 B6R0.6 CCCSCC#N 62a_100011215382_100000210303 [0,1,0,0,0,0|3,0,0]=4 881 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [0,1,0,0,0,0|3,0,0]=4 882 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [0,1,0,0,0,0|3,0,0]=4 883 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [0,1,0,0,0,0|2,0,0]=3 884 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [0,1,0,0,0,0|3,0,0]=4 885 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [0,1,0,0,0,0|3,0,0]=4 886 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [0,1,0,0,0,0|3,0,0]=4 887 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [0,1,0,0,0,0|3,0,0]=4 888 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [0,1,0,0,0,0|1,0,0]=2 889 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [0,1,0,0,0,0|1,0,0]=2 890 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [0,1,0,0,0,0|1,1,0]=3 891 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [0,1,0,0,0,0|1,1,0]=3 892 B6R0.6 CCNCCC#N 2230a_100015525214_100011215226 [0,1,0,0,0,0|3,0,0]=4 893 B6R0.6 CCNCCCF 2230a_100015189416_100000210202 [0,1,0,0,0,0|3,0,0]=4 894 B6R0.6 CCNCCCF 2230a_100015525214_100011934791 [0,1,0,0,0,0|3,0,0]=4 895 B6R0.6 CCNCCCF 34a_100015189416_100000210202 [0,1,0,0,0,0|3,0,0]=4 896 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [0,1,0,0,0,0|3,0,0]=4 897 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [0,1,0,0,0,0|1,0,0]=2 898 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [0,1,0,0,0,0|1,0,0]=2 899 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [0,1,0,0,0,0|1,1,0]=3 900 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [0,1,0,0,0,0|1,1,0]=3 901 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [0,1,0,0,0,0|2,0,0]=3 902 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [0,1,0,0,0,0|2,0,0]=3 903 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [0,1,0,0,0,0|2,0,0]=3 904 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [0,1,0,0,0,0|2,0,0]=3 905 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [0,1,0,0,0,0|2,0,0]=3 906 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [0,1,0,0,0,0|2,0,0]=3 907 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [0,1,0,0,0,0|1,0,0]=2 908 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [0,1,0,0,0,0|1,0,0]=2 909 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [0,1,0,0,0,0|1,0,0]=2 910 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [0,1,0,0,0,0|1,0,0]=2 911 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [0,1,0,0,0,0|1,0,0]=2 912 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [0,1,0,0,0,0|1,0,0]=2 913 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [0,1,0,0,0,0|1,0,0]=2 914 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [0,1,0,0,0,0|0,0,0]=1 915 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [0,1,0,0,0,0|0,0,0]=1 916 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [0,1,0,0,0,0|0,0,0]=1 917 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [0,1,0,0,0,0|0,0,0]=1 918 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [0,1,0,0,0,0|0,0,0]=1 919 B6R0.6 CCOCCON 34a_100000700252_100000210202 [0,1,0,0,0,0|1,0,0]=2 920 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [0,1,0,0,0,0|0,0,0]=1 921 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [0,1,0,0,0,0|0,0,0]=1 922 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [0,1,0,0,0,0|0,1,0]=2 923 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [0,1,0,0,0,0|0,1,0]=2 924 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [0,1,0,0,0,0|0,1,0]=2 925 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [0,1,0,0,0,0|0,1,0]=2 926 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [0,1,0,0,0,0|0,1,0]=2 927 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [0,1,0,0,0,0|0,1,0]=2 928 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [0,1,0,0,0,0|0,1,0]=2 929 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [0,1,0,0,0,0|2,0,0]=3 930 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [0,1,0,0,0,0|2,0,0]=3 931 B6R0.6 CCOCSCF 62a_100000739092_100015361967 [0,1,0,0,0,0|2,1,0]=4 932 B6R0.6 CCOCSCF 62a_100015361967_100000739092 [0,1,0,0,0,0|2,1,0]=4 933 B6R0.6 CCSCCC#N 62a_100000210202_100011215226 [0,1,0,0,0,0|2,1,0]=4 934 B6R0.6 CCSCCC#N 62a_100011215226_100000210202 [0,1,0,0,0,0|2,1,0]=4 935 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [0,1,0,0,0,0|2,1,0]=4 936 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [0,1,0,0,0,0|2,1,0]=4 937 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [0,1,0,0,0,0|2,1,0]=4 938 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [0,1,0,0,0,0|2,1,0]=4 939 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [0,1,0,0,0,0|1,1,0]=3 940 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [0,1,0,0,0,0|1,1,0]=3 941 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [0,1,0,0,0,0|1,1,0]=3 942 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [0,1,0,0,0,0|1,1,0]=3 943 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [0,1,0,0,0,0|1,1,0]=3 944 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [0,1,0,0,0,0|0,1,0]=2 945 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [0,1,0,0,0,0|0,1,0]=2 946 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [0,1,0,0,0,0|0,1,0]=2 947 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [0,1,0,0,0,0|0,1,0]=2 948 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [0,1,0,0,0,0|0,1,0]=2 949 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [0,1,0,0,0,0|0,1,0]=2 950 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [0,1,0,0,0,0|0,1,0]=2 951 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [0,1,0,0,0,0|0,2,0]=3 952 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [0,1,0,0,0,0|0,2,0]=3 953 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [0,1,0,0,0,0|0,2,0]=3 954 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [0,1,0,0,0,0|0,2,0]=3 955 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [0,1,0,0,0,0|0,2,0]=3 956 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [0,1,0,0,0,0|0,2,0]=3 957 B6R0.6 CNCC#CCO 2230a_106832991635_200000047223 [0,1,0,0,0,0|2,0,1]=4 958 B6R0.6 CNCC#CCO 34a_100102657272_200000047223 [0,1,0,0,0,0|2,0,1]=4 959 B6R0.6 CNCC#CCO 7a_106832991635_200000047223 [0,1,0,0,0,0|2,0,1]=4 960 B6R0.6 CNCCCC#N 2230a_106832991635_100000687738 [0,1,0,0,0,0|2,0,1]=4 961 B6R0.6 CNCCCC#N 7a_106832991635_100000687738 [0,1,0,0,0,0|2,0,1]=4 962 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [0,1,0,0,0,0|2,0,1]=4 963 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [0,1,0,0,0,0|2,0,1]=4 964 B6R0.6 CNCCCCF 2230a_106832991635_100000729493 [0,1,0,0,0,0|2,0,0]=3 965 B6R0.6 CNCCCCF 34a_100102657272_100000729493 [0,1,0,0,0,0|2,0,0]=3 966 B6R0.6 CNCCCCF 7a_106832991635_100000729493 [0,1,0,0,0,0|2,0,0]=3 967 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [0,1,0,0,0,0|2,0,0]=3 968 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [0,1,0,0,0,0|2,0,0]=3 969 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [0,1,0,0,0,0|2,0,0]=3 970 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [0,1,0,0,0,0|2,0,0]=3 971 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [0,1,0,0,0,0|2,0,0]=3 972 B6R0.6 CNCCCOC 2230a_106832991635_100000740836 [0,1,0,0,0,0|1,0,0]=2 973 B6R0.6 CNCCCOC 34a_100000213112_200000210301 [0,1,0,0,0,0|1,0,0]=2 974 B6R0.6 CNCCCOC 34a_100102657272_100000740836 [0,1,0,0,0,0|1,0,0]=2 975 B6R0.6 CNCCCOC 34a_100150723488_200000210301 [0,1,0,0,0,0|1,0,0]=2 976 B6R0.6 CNCCCOC 7a_106832991635_100000740836 [0,1,0,0,0,0|1,0,0]=2 977 B6R0.6 CNCCCO[13CH3] 34a_100000213112_200025704644 [0,1,0,0,0,0|1,0,0]=2 978 B6R0.6 CNCCCSC 2230a_100000749238_200000210301 [0,1,0,0,0,0|1,1,0]=3 979 B6R0.6 COCC#CCCl 34a_200000047223_200000210301 [0,1,0,0,0,0|1,0,1]=3 980 B6R0.6 COCC#CCO 34a_100138415774_200000047223 [0,1,0,0,0,0|1,0,1]=3 981 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [0,1,0,0,0,0|1,0,0]=2 982 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [0,1,0,0,0,0|1,0,0]=2 983 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [0,1,0,0,0,0|1,0,0]=2 984 B6R0.6 COCCCCF 34a_100011995726_200000210301 [0,1,0,0,0,0|1,0,0]=2 985 B6R0.6 COCCCCF 34a_100138415774_100000729493 [0,1,0,0,0,0|1,0,0]=2 986 B6R0.6 COCCCCF 7a_100011995726_200000210301 [0,1,0,0,0,0|1,0,0]=2 987 B6R0.6 COCCCCI 34a_200012148704_200000210301 [0,1,0,0,0,0|1,0,0]=2 988 B6R0.6 COCCCCN 34a_100000750430_200000210301 [0,1,0,0,0,0|1,0,0]=2 989 B6R0.6 COCCCCO 34a_100138415774_100011216708 [0,1,0,0,0,0|1,0,0]=2 990 B6R0.6 COCCCN[13CH3] 34a_100150723488_200025704644 [0,1,0,0,0,0|1,0,0]=2 991 B6R0.6 COCCCOC 34a_100000740835_200000210301 [0,1,0,0,0,0|0,0,0]=1 992 B6R0.6 COCCCOC 34a_100138415774_100000740836 [0,1,0,0,0,0|0,0,0]=1 993 B6R0.6 COCCCO[13CH3] 34a_100000740835_200025704644 [0,1,0,0,0,0|0,0,0]=1 994 B6R0.6 COCCCSC 34a_100000690336_200000210301 [0,1,0,0,0,0|0,1,0]=2 995 B6R0.6 COCCCSC 62a_100000709357_200000210301 [0,1,0,0,0,0|0,1,0]=2 996 B6R0.6 COCCCSC 62a_200000210301_100000709357 [0,1,0,0,0,0|0,1,0]=2 997 B6R0.6 COCCCSC 7a_100000690336_200000210301 [0,1,0,0,0,0|0,1,0]=2 998 B6R0.6 COCCCS[13CH3] 62a_100000709357_200025704644 [0,1,0,0,0,0|0,1,0]=2 999 B6R0.6 COCCCS[13CH3] 62a_200025704644_100000709357 [0,1,0,0,0,0|0,1,0]=2 1000 B6R0.6 COCCOCF 34a_100000210237_100015361967 [0,1,0,0,0,0|0,0,0]=1 1001 B6R0.6 COCCSCF 62a_100000233755_100015361967 [0,1,0,0,0,0|0,1,0]=2 1002 B6R0.6 COCCSCF 62a_100015361967_100000233755 [0,1,0,0,0,0|0,1,0]=2 1003 B6R0.6 COCNCCO 2230a_100016997473_100000766300 [0,1,0,0,0,0|2,0,0]=3 1004 B6R0.6 COCSCC#N 62a_100000766300_100011215382 [0,1,0,0,0,0|2,0,0]=3 1005 B6R0.6 COCSCC#N 62a_100011215382_100000766300 [0,1,0,0,0,0|2,0,0]=3 1006 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [0,1,0,0,0,0|2,0,0]=3 1007 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [0,1,0,0,0,0|2,0,0]=3 1008 B6R0.6 COCSCCF 62a_100000766300_100011217306 [0,1,0,0,0,0|2,0,0]=3 1009 B6R0.6 COCSCCF 62a_100011217306_100000766300 [0,1,0,0,0,0|2,0,0]=3 1010 B6R0.6 COCSCCO 62a_100000211926_100000766300 [0,1,0,0,0,0|2,0,0]=3 1011 B6R0.6 COCSCCO 62a_100000766300_100000211926 [0,1,0,0,0,0|2,0,0]=3 1012 B6R0.6 COCSCOC 62a_100000766300_100000766300 [0,1,0,0,0,0|0,0,0]=1 1013 B6R0.6 COCSCSC 62a_100000766300_100011218213 [0,1,0,0,0,0|0,1,0]=2 1014 B6R0.6 COCSCSC 62a_100011218213_100000766300 [0,1,0,0,0,0|0,1,0]=2 1015 B6R0.6 CSCC#CCO 62a_200000047223_200000210301 [0,1,0,0,0,0|1,1,1]=4 1016 B6R0.6 CSCC#CCO 62a_200000210301_200000047223 [0,1,0,0,0,0|1,1,1]=4 1017 B6R0.6 CSCCCC#N 62a_100000687738_200000210301 [0,1,0,0,0,0|1,1,1]=4 1018 B6R0.6 CSCCCC#N 62a_200000210301_100000687738 [0,1,0,0,0,0|1,1,1]=4 1019 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [0,1,0,0,0,0|1,1,1]=4 1020 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [0,1,0,0,0,0|1,1,1]=4 1021 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [0,1,0,0,0,0|1,1,0]=3 1022 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [0,1,0,0,0,0|1,1,0]=3 1023 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [0,1,0,0,0,0|1,1,0]=3 1024 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [0,1,0,0,0,0|1,1,0]=3 1025 B6R0.6 CSCCCN[13CH3] 2230a_100000749238_200025704644 [0,1,0,0,0,0|1,1,0]=3 1026 B6R0.6 CSCCCO[13CH3] 34a_100000690336_200025704644 [0,1,0,0,0,0|0,1,0]=2 1027 B6R0.6 CSCCCO[13CH3] 7a_100000690336_200025704644 [0,1,0,0,0,0|0,1,0]=2 1028 B6R0.6 CSCCOCF 34a_100000230434_100015361967 [0,1,0,0,0,0|0,1,0]=2 1029 B6R0.6 CSCCOCF 7a_100000230434_100015361967 [0,1,0,0,0,0|0,1,0]=2 1030 B6R0.6 CSCCSC#N 62a_100000034367_200000210301 [0,1,0,0,0,0|0,2,1]=4 1031 B6R0.6 CSCCSC#N 62a_200000210301_100000034367 [0,1,0,0,0,0|0,2,1]=4 1032 B6R0.6 CSCCSCF 62a_100000212216_100015361967 [0,1,0,0,0,0|0,2,0]=3 1033 B6R0.6 CSCCSCF 62a_100015361967_100000751147 [0,1,0,0,0,0|0,2,0]=3 1034 B6R0.6 CSCNCCF 34a_100000724931_100011218213 [0,1,0,0,0,0|2,1,0]=4 1035 B6R0.6 CSCNCCO 2230a_100016997473_100011218213 [0,1,0,0,0,0|2,1,0]=4 1036 B6R0.6 CSCNCCO 34a_100016990907_100011218213 [0,1,0,0,0,0|2,1,0]=4 1037 B6R0.6 CSCOCCBr 34a_100000211926_100011218213 [0,1,0,0,0,0|2,1,0]=4 1038 B6R0.6 CSCOCCN 34a_100000210304_100011218213 [0,1,0,0,0,0|2,1,0]=4 1039 B6R0.6 CSCSCC#N 62a_100011215382_100011218213 [0,1,0,0,0,0|2,1,0]=4 1040 B6R0.6 CSCSCC#N 62a_100011218213_100011215382 [0,1,0,0,0,0|2,1,0]=4 1041 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [0,1,0,0,0,0|2,1,0]=4 1042 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [0,1,0,0,0,0|2,1,0]=4 1043 B6R0.6 CSCSCCF 62a_100011217306_100011218213 [0,1,0,0,0,0|2,1,0]=4 1044 B6R0.6 CSCSCCF 62a_100011218213_100011217306 [0,1,0,0,0,0|2,1,0]=4 1045 B6R0.6 CSCSCCO 62a_100000211926_100011218213 [0,1,0,0,0,0|2,1,0]=4 1046 B6R0.6 CSCSCCO 62a_100011218213_100000211926 [0,1,0,0,0,0|2,1,0]=4 1047 B6R0.6 CSCSCSC 62a_100011218213_100011218213 [0,1,0,0,0,0|0,2,0]=3 1048 B6R0.6 FCCCNCF 34a_100015189416_100015361967 [0,1,0,0,0,0|3,0,0]=4 1049 B6R0.6 FCCCOCF 34a_100000759539_100015361967 [0,1,0,0,0,0|2,0,0]=3 1050 B6R0.6 FCCCSCF 62a_100011934791_100015361967 [0,1,0,0,0,0|2,1,0]=4 1051 B6R0.6 FCCCSCF 62a_100015361967_100011934791 [0,1,0,0,0,0|2,1,0]=4 1052 B6R0.6 FCOCCCBr 34a_100011217188_100015361967 [0,1,0,0,0,0|2,0,0]=3 1053 B6R0.6 FCOCCCCl 34a_100000230001_100015361967 [0,1,0,0,0,0|2,0,0]=3 1054 B6R0.6 N#CCCSCF 62a_100011215226_100015361967 [0,1,0,0,0,0|2,1,0]=4 1055 B6R0.6 N#CCCSCF 62a_100015361967_100011215226 [0,1,0,0,0,0|2,1,0]=4 1056 B6R0.6 NCCCOCF 34a_100000182051_100015361967 [0,1,0,0,0,0|2,0,0]=3 1057 B6R0.6 NOCCOCF 34a_100000700252_100015361967 [0,1,0,0,0,0|1,0,0]=2 1058 B6R0.6 OCCCSCF 62a_100011215043_100015361967 [0,1,0,0,0,0|2,1,0]=4 1059 B6R0.6 OCCCSCF 62a_100015361967_100011215043 [0,1,0,0,0,0|2,1,0]=4 1060 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [0,1,0,0,0,0|2,0,0]=3 1061 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [0,1,0,0,0,0|2,0,0]=3 1062 B6R0.6 [13CH3]OCC#CCCl 34a_200000047223_200025704644 [0,1,0,0,0,0|1,0,1]=3 1063 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [0,1,0,0,0,0|1,0,0]=2 1064 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [0,1,0,0,0,0|1,0,0]=2 1065 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [0,1,0,0,0,0|1,0,0]=2 1066 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [0,1,0,0,0,0|1,0,0]=2 1067 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [0,1,0,0,0,0|1,0,0]=2 1068 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [0,1,0,0,0,0|1,0,0]=2 1069 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [0,1,0,0,0,0|1,0,0]=2 1070 B6R0.6 [13CH3]SCC#CCO 62a_200000047223_200025704644 [0,1,0,0,0,0|1,1,1]=4 1071 B6R0.6 [13CH3]SCC#CCO 62a_200025704644_200000047223 [0,1,0,0,0,0|1,1,1]=4 1072 B6R0.6 [13CH3]SCCCC#N 62a_100000687738_200025704644 [0,1,0,0,0,0|1,1,1]=4 1073 B6R0.6 [13CH3]SCCCC#N 62a_200025704644_100000687738 [0,1,0,0,0,0|1,1,1]=4 1074 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [0,1,0,0,0,0|1,1,1]=4 1075 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [0,1,0,0,0,0|1,1,1]=4 1076 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [0,1,0,0,0,0|1,1,0]=3 1077 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [0,1,0,0,0,0|1,1,0]=3 1078 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [0,1,0,0,0,0|1,1,0]=3 1079 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [0,1,0,0,0,0|1,1,0]=3 1080 B6R0.6 [13CH3]SCCSC#N 62a_100000034367_200025704644 [0,1,0,0,0,0|0,2,1]=4 1081 B6R0.6 [13CH3]SCCSC#N 62a_200025704644_100000034367 [0,1,0,0,0,0|0,2,1]=4 1082 B6R1.2 CN1CC=CC1 269982a_100015195280_200000210301 [0,0,0,1,0,0|2,0,1]=4 1083 B6R1.2 CN1CCCC1 2230a_100000188435_200000210301 [0,0,0,1,0,0|2,0,0]=3 1084 B6R1.2 CN1CCCC1 269982a_100000188435_200000210301 [0,0,0,1,0,0|2,0,0]=3 1085 B6R1.2 CN1CCSC1 2230a_100011215254_200000210301 [0,0,0,1,0,0|1,1,0]=3 1086 B6R1.2 CN1CCSC1 269982a_100011215254_200000210301 [0,0,0,1,0,0|1,1,0]=3 1087 B6R1.2 [13CH3]N1CC=CC1 269982a_100015195280_200025704644 [0,0,0,1,0,0|2,0,1]=4 1088 B6R1.2 [13CH3]N1CCCC1 2230a_100000188435_200025704644 [0,0,0,1,0,0|2,0,0]=3 1089 B6R1.2 [13CH3]N1CCCC1 269982a_100000188435_200025704644 [0,0,0,1,0,0|2,0,0]=3 1090 B6R1.2 [13CH3]N1CCSC1 2230a_100011215254_200025704644 [0,0,0,1,0,0|1,1,0]=3 1091 B6R1.2 [13CH3]N1CCSC1 269982a_100011215254_200025704644 [0,0,0,1,0,0|1,1,0]=3 1092 B6R1.3 CCNC1CC1 34a_100000212008_100000210202 [0,0,0,1,0,0|3,0,0]=4 1093 B6R1.3 CCOC1CC1 34a_100121572206_100000211595 [0,0,0,1,0,0|3,0,0]=4 1094 B6R1.3 CCSC1CC1 62a_100000210202_100000211595 [0,0,0,1,0,0|3,0,0]=4 1095 B6R1.3 CNCC1CC1 2230a_100000735609_200000210301 [0,0,0,1,0,0|2,0,0]=3 1096 B6R1.3 CNCC1CC1 2230a_106832991635_100000742324 [0,0,0,1,0,0|2,0,0]=3 1097 B6R1.3 CNCC1CC1 269862a_106832991636_100000741477 [0,0,0,1,0,0|2,0,0]=3 1098 B6R1.3 CNCC1CC1 34a_100000735609_200000210301 [0,0,0,1,0,0|2,0,0]=3 1099 B6R1.3 CNCC1CC1 34a_100102657272_100000742324 [0,0,0,1,0,0|2,0,0]=3 1100 B6R1.3 CNCC1CC1 7a_106832991635_100000742324 [0,0,0,1,0,0|2,0,0]=3 1101 B6R1.3 CNCC1CO1 2230a_106832991635_100011216344 [0,0,0,1,0,0|1,0,0]=2 1102 B6R1.3 CNCC1CO1 34a_100102657272_102125554688 [0,0,0,1,0,0|1,0,0]=2 1103 B6R1.3 CNCC1CO1 7a_106832991635_102125554688 [0,0,0,1,0,0|1,0,0]=2 1104 B6R1.3 CNCC1CS1 7a_106832991635_100000031435 [0,0,0,1,0,0|1,1,0]=3 1105 B6R1.3 CNC[C@@H]1CO1 7a_106832991635_100000745022 [0,0,0,1,0,0|1,0,0]=2 1106 B6R1.3 COCC1CC1 34a_100000211283_200000210301 [0,0,0,1,0,0|1,0,0]=2 1107 B6R1.3 COCC1CC1 34a_100138415774_100000742324 [0,0,0,1,0,0|1,0,0]=2 1108 B6R1.3 COCC1CO1 34a_100138415774_102125554688 [0,0,0,1,0,0|0,0,0]=1 1109 B6R1.3 COC[C@@H]1CO1 34a_100000757423_200000210301 [0,0,0,1,0,0|0,0,0]=1 1110 B6R1.3 CSCC1CC1 62a_100000756562_200000210301 [0,0,0,1,0,0|1,1,0]=3 1111 B6R1.3 CSCC1CC1 62a_200000210301_100000742324 [0,0,0,1,0,0|1,1,0]=3 1112 B6R1.3 CSCC1CO1 62a_102125554688_200000210301 [0,0,0,1,0,0|0,1,0]=2 1113 B6R1.3 CSCC1CO1 62a_200000210301_102125554688 [0,0,0,1,0,0|0,1,0]=2 1114 B6R1.3 CSCC1CS1 62a_100000031435_200000210301 [0,0,0,1,0,0|0,2,0]=3 1115 B6R1.3 CSCC1CS1 62a_200000210301_100000031435 [0,0,0,1,0,0|0,2,0]=3 1116 B6R1.3 CSC[C@@H]1CO1 62a_100000745022_200000210301 [0,0,0,1,0,0|0,1,0]=2 1117 B6R1.3 CSC[C@@H]1CO1 62a_200000210301_100000745022 [0,0,0,1,0,0|0,1,0]=2 1118 B6R1.3 [13CH3]NCC1CC1 2230a_100000735609_200025704644 [0,0,0,1,0,0|2,0,0]=3 1119 B6R1.3 [13CH3]NCC1CC1 34a_100000735609_200025704644 [0,0,0,1,0,0|2,0,0]=3 1120 B6R1.3 [13CH3]OCC1CC1 34a_100000211283_200025704644 [0,0,0,1,0,0|1,0,0]=2 1121 B6R1.3 [13CH3]OC[C@@H]1CO1 34a_100000757423_200025704644 [0,0,0,1,0,0|0,0,0]=1 1122 B6R1.3 [13CH3]SCC1CC1 62a_100000756562_200025704644 [0,0,0,1,0,0|1,1,0]=3 1123 B6R1.3 [13CH3]SCC1CC1 62a_200025704644_100000742324 [0,0,0,1,0,0|1,1,0]=3 1124 B6R1.3 [13CH3]SCC1CO1 62a_102125554688_200025704644 [0,0,0,1,0,0|0,1,0]=2 1125 B6R1.3 [13CH3]SCC1CO1 62a_200025704644_102125554688 [0,0,0,1,0,0|0,1,0]=2 1126 B6R1.3 [13CH3]SCC1CS1 62a_100000031435_200025704644 [0,0,0,1,0,0|0,2,0]=3 1127 B6R1.3 [13CH3]SCC1CS1 62a_200025704644_100000031435 [0,0,0,1,0,0|0,2,0]=3 1128 B6R1.3 [13CH3]SC[C@@H]1CO1 62a_100000745022_200025704644 [0,0,0,1,0,0|0,1,0]=2 1129 B6R1.3 [13CH3]SC[C@@H]1CO1 62a_200025704644_100000745022 [0,0,0,1,0,0|0,1,0]=2 1130 B6R1.4 CC1CCN1C 269982a_100000755817_200000210301 [0,0,0,1,0,0|2,0,0]=3 1131 B6R1.4 CC1CCN1C 34a_100000755817_200000210301 [0,0,0,1,0,0|2,0,0]=3 1132 B6R1.4 CC1CCN1[13CH3] 269982a_100000755817_200025704644 [0,0,0,1,0,0|2,0,0]=3 1133 B6R1.4 CC1CCN1[13CH3] 34a_100000755817_200025704644 [0,0,0,1,0,0|2,0,0]=3 1134 B6R1.6 CCN1CCC1 269982a_100000754969_100000204670 [0,0,0,1,0,0|3,0,0]=4 1135 B6R1.6 CNC1CCC1 2230a_100000749019_200000210301 [0,0,0,1,0,0|2,0,0]=3 1136 B6R1.6 CNC1CCC1 270004a_106832991635_100000241760 [0,0,0,1,0,0|2,0,0]=3 1137 B6R1.6 CNC1CCC1 34a_100000749019_200000210301 [0,0,0,1,0,0|2,0,0]=3 1138 B6R1.6 CNC1CCC1 34a_100102657272_100000749161 [0,0,0,1,0,0|2,0,0]=3 1139 B6R1.6 CNC1COC1 2230a_100016991112_200000210301 [0,0,0,1,0,0|1,0,0]=2 1140 B6R1.6 CNC1COC1 34a_100102657272_100009818527 [0,0,0,1,0,0|1,0,0]=2 1141 B6R1.6 CNC1COC1 7a_106832991635_100009818527 [0,0,0,1,0,0|1,0,0]=2 1142 B6R1.6 COC1CCC1 34a_100000748187_200000210301 [0,0,0,1,0,0|1,0,0]=2 1143 B6R1.6 COC1CCC1 34a_100138415774_100000749161 [0,0,0,1,0,0|1,0,0]=2 1144 B6R1.6 COC1COC1 34a_100138415774_100009818527 [0,0,0,1,0,0|0,0,0]=1 1145 B6R1.6 COC1CSC1 7a_100000072292_200000210301 [0,0,0,1,0,0|0,1,0]=2 1146 B6R1.6 CSC1CCC1 62a_200000210301_100000749161 [0,0,0,1,0,0|1,1,0]=3 1147 B6R1.6 CSC1COC1 62a_200000210301_100009818527 [0,0,0,1,0,0|0,1,0]=2 1148 B6R1.6 [13CH3]NC1CCC1 2230a_100000749019_200025704644 [0,0,0,1,0,0|2,0,0]=3 1149 B6R1.6 [13CH3]NC1CCC1 34a_100000749019_200025704644 [0,0,0,1,0,0|2,0,0]=3 1150 B6R1.6 [13CH3]NC1COC1 2230a_100016991112_200025704644 [0,0,0,1,0,0|1,0,0]=2 1151 B6R1.6 [13CH3]OC1CCC1 34a_100000748187_200025704644 [0,0,0,1,0,0|1,0,0]=2 1152 B6R1.6 [13CH3]OC1CSC1 7a_100000072292_200025704644 [0,0,0,1,0,0|0,1,0]=2 1153 B6R1.6 [13CH3]SC1CCC1 62a_200025704644_100000749161 [0,0,0,1,0,0|1,1,0]=3 1154 B6R1.6 [13CH3]SC1COC1 62a_200025704644_100009818527 [0,0,0,1,0,0|0,1,0]=2 1155 B6R1.8 CN[C@@H]1C[C@@H]1F 2230a_100015190264_200000210301 [0,0,0,1,0,0|3,0,0]=4 1156 B6R1.8 CN[C@@H]1C[C@H]1F 2230a_100025746932_200000210301 [0,0,0,1,0,0|3,0,0]=4 1157 B6R1.8 CN[C@@H]1C[C@H]1F 34a_100025746932_200000210301 [0,0,0,1,0,0|3,0,0]=4 1158 B6R1.8 [13CH3]N[C@@H]1C[C@@H]1F 2230a_100015190264_200025704644 [0,0,0,1,0,0|3,0,0]=4 1159 B6R1.8 [13CH3]N[C@@H]1C[C@H]1F 2230a_100025746932_200025704644 [0,0,0,1,0,0|3,0,0]=4 1160 B6R1.8 [13CH3]N[C@@H]1C[C@H]1F 34a_100025746932_200025704644 [0,0,0,1,0,0|3,0,0]=4 1161 B3R0.1 CCNC 2230a_100015525214_200000210301 [2,0,0,0,0,0|1,0,0]=3 1162 B3R0.1 CCNC 2230a_106832991635_100000210202 [2,0,0,0,0,0|1,0,0]=3 1163 B3R0.1 CCNC 34a_100102657272_100000210202 [2,0,0,0,0,0|1,0,0]=3 1164 B3R0.1 CCNC 7a_106832991635_100000210202 [2,0,0,0,0,0|1,0,0]=3 1165 B3R0.1 CCN[13CH3] 2230a_100015525214_200025704644 [2,0,0,0,0,0|1,0,0]=3 1166 B3R0.1 CCOC 34a_100121572206_200000210301 [2,0,0,0,0,0|0,0,0]=2 1167 B3R0.1 CCOC 34a_100138415774_100000210202 [2,0,0,0,0,0|0,0,0]=2 1168 B3R0.1 CCO[13CH3] 34a_100121572206_200025704644 [2,0,0,0,0,0|0,0,0]=2 1169 B3R0.1 CCSC 62a_100000210202_200000210301 [2,0,0,0,0,0|0,1,0]=3 1170 B3R0.1 CCSC 62a_200000210301_100000210202 [2,0,0,0,0,0|0,1,0]=3 1171 B3R0.1 CCS[13CH3] 62a_100000210202_200025704644 [2,0,0,0,0,0|0,1,0]=3 1172 B3R0.1 CCS[13CH3] 62a_200025704644_100000210202 [2,0,0,0,0,0|0,1,0]=3 1173 B3R0.1 CNCF 34a_100102657272_100015361967 [2,0,0,0,0,0|2,0,0]=4 1174 B3R0.1 CNCF 7a_106832991635_100015361967 [2,0,0,0,0,0|2,0,0]=4 1175 B3R0.1 COCF 34a_100138415774_100015361967 [2,0,0,0,0,0|1,0,0]=3 1176 B3R0.1 CSCF 62a_100015361967_200000210301 [2,0,0,0,0,0|1,1,0]=4 1177 B3R0.1 CSCF 62a_200000210301_100015361967 [2,0,0,0,0,0|1,1,0]=4 1178 B3R0.1 [13CH3]SCF 62a_100015361967_200025704644 [2,0,0,0,0,0|1,1,0]=4 1179 B3R0.1 [13CH3]SCF 62a_200025704644_100015361967 [2,0,0,0,0,0|1,1,0]=4 1180 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [1,1,0,0,0,0|1,0,1]=4 1181 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [1,1,0,0,0,0|1,0,1]=4 1182 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [1,1,0,0,0,0|1,0,1]=4 1183 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [1,1,0,0,0,0|0,0,1]=3 1184 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [1,1,0,0,0,0|0,0,1]=3 1185 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [1,1,0,0,0,0|0,0,1]=3 1186 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [1,1,0,0,0,0|0,1,1]=4 1187 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [1,1,0,0,0,0|0,1,1]=4 1188 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [1,1,0,0,0,0|0,1,1]=4 1189 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [1,1,0,0,0,0|0,1,1]=4 1190 B5R0.1 C=C(F)COC 34a_100138415774_100009893438 [1,1,0,0,0,0|0,0,2]=4 1191 B5R0.1 C=C(F)COC 34a_200010262243_200000210301 [1,1,0,0,0,0|0,0,2]=4 1192 B5R0.1 C=C(F)CO[13CH3] 34a_200010262243_200025704644 [1,1,0,0,0,0|0,0,2]=4 1193 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [1,1,0,0,0,0|2,0,0]=4 1194 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [1,1,0,0,0,0|1,0,0]=3 1195 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [1,1,0,0,0,0|1,0,0]=3 1196 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [1,1,0,0,0,0|0,0,1]=3 1197 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [1,1,0,0,0,0|0,0,0]=2 1198 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [1,1,0,0,0,0|1,0,0]=3 1199 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [1,1,0,0,0,0|1,0,0]=3 1200 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [1,1,0,0,0,0|0,0,0]=2 1201 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [1,1,0,0,0,0|0,1,0]=3 1202 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [1,1,0,0,0,0|0,1,0]=3 1203 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [1,1,0,0,0,0|0,0,0]=2 1204 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [1,1,0,0,0,0|1,0,0]=3 1205 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [1,1,0,0,0,0|1,0,0]=3 1206 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [1,1,0,0,0,0|0,1,0]=3 1207 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [1,1,0,0,0,0|0,1,0]=3 1208 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [1,1,0,0,0,0|1,0,0]=3 1209 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [1,1,0,0,0,0|1,0,0]=3 1210 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [1,1,0,0,0,0|1,0,0]=3 1211 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [1,1,0,0,0,0|1,0,0]=3 1212 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [1,1,0,0,0,0|1,0,0]=3 1213 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [1,1,0,0,0,0|1,0,0]=3 1214 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [1,1,0,0,0,0|1,0,0]=3 1215 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [1,1,0,0,0,0|1,0,0]=3 1216 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [1,1,0,0,0,0|1,0,0]=3 1217 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [1,1,0,0,0,0|2,0,0]=4 1218 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [1,1,0,0,0,0|2,0,0]=4 1219 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [1,1,0,0,0,0|2,0,0]=4 1220 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [1,1,0,0,0,0|2,0,0]=4 1221 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [1,1,0,0,0,0|2,0,0]=4 1222 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [1,1,0,0,0,0|2,0,0]=4 1223 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [1,1,0,0,0,0|2,0,0]=4 1224 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [1,1,0,0,0,0|2,0,0]=4 1225 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [1,1,0,0,0,0|2,0,0]=4 1226 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [1,1,0,0,0,0|2,0,0]=4 1227 B5R0.1 CN(C)CCF 2230a_100102631434_100011217306 [1,1,0,0,0,0|2,0,0]=4 1228 B5R0.1 CN(C)CCF 269982a_100102631434_100011217306 [1,1,0,0,0,0|2,0,0]=4 1229 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [1,1,0,0,0,0|1,0,0]=3 1230 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [1,1,0,0,0,0|1,0,0]=3 1231 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [1,1,0,0,0,0|1,0,0]=3 1232 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [1,1,0,0,0,0|1,0,0]=3 1233 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [1,1,0,0,0,0|1,0,0]=3 1234 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [1,1,0,0,0,0|1,0,0]=3 1235 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [1,1,0,0,0,0|1,0,1]=4 1236 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [1,1,0,0,0,0|1,0,0]=3 1237 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [1,1,0,0,0,0|1,0,0]=3 1238 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [1,1,0,0,0,0|1,0,0]=3 1239 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [1,1,0,0,0,0|1,0,0]=3 1240 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [1,1,0,0,0,0|1,0,0]=3 1241 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [1,1,0,0,0,0|1,0,0]=3 1242 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [1,1,0,0,0,0|1,0,0]=3 1243 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [1,1,0,0,0,0|1,0,0]=3 1244 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [1,1,0,0,0,0|1,0,0]=3 1245 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [1,1,0,0,0,0|1,0,0]=3 1246 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [1,1,0,0,0,0|1,0,0]=3 1247 B5R0.1 CNCC(F)F 2230a_106832991635_100011934356 [1,1,0,0,0,0|2,0,0]=4 1248 B5R0.1 CNCC(F)F 34a_100000765723_200000210301 [1,1,0,0,0,0|2,0,0]=4 1249 B5R0.1 CNCC(F)F 34a_100102657272_100011934356 [1,1,0,0,0,0|2,0,0]=4 1250 B5R0.1 CNCC(F)F 7a_106832991635_100011934356 [1,1,0,0,0,0|2,0,0]=4 1251 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [1,1,0,0,0,0|1,0,0]=3 1252 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [1,1,0,0,0,0|1,0,0]=3 1253 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [1,1,0,0,0,0|1,0,0]=3 1254 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [1,1,0,0,0,0|0,0,1]=3 1255 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [1,1,0,0,0,0|0,0,1]=3 1256 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [1,1,0,0,0,0|0,0,2]=4 1257 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [1,1,0,0,0,0|0,0,1]=3 1258 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [1,1,0,0,0,0|0,0,2]=4 1259 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [1,1,0,0,0,0|0,0,0]=2 1260 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [1,1,0,0,0,0|0,0,0]=2 1261 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [1,1,0,0,0,0|0,0,0]=2 1262 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [1,1,0,0,0,0|0,0,0]=2 1263 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [1,1,0,0,0,0|0,0,0]=2 1264 B5R0.1 COCC(F)F 34a_100000743014_200000210301 [1,1,0,0,0,0|1,0,0]=3 1265 B5R0.1 COCC(F)F 34a_100138415774_100011934356 [1,1,0,0,0,0|1,0,0]=3 1266 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [1,1,0,0,0,0|1,0,0]=3 1267 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [1,1,0,0,0,0|1,0,0]=3 1268 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [1,1,0,0,0,0|0,0,0]=2 1269 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [1,1,0,0,0,0|0,0,0]=2 1270 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [1,1,0,0,0,0|0,0,0]=2 1271 B5R0.1 COC[N+](=O)[O-] 34a_100138415774_100000761209 [1,1,0,0,0,0|1,0,1]=4 1272 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [1,1,0,0,0,0|0,1,1]=4 1273 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [1,1,0,0,0,0|0,1,1]=4 1274 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [1,1,0,0,0,0|0,1,0]=3 1275 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [1,1,0,0,0,0|0,1,0]=3 1276 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [1,1,0,0,0,0|0,1,0]=3 1277 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [1,1,0,0,0,0|0,1,0]=3 1278 B5R0.1 CSCC(F)F 62a_100011934356_200000210301 [1,1,0,0,0,0|1,1,0]=4 1279 B5R0.1 CSCC(F)F 62a_200000210301_100011934356 [1,1,0,0,0,0|1,1,0]=4 1280 B5R0.1 CSCN(C)C 2230a_100102631434_100011218213 [1,1,0,0,0,0|1,1,0]=4 1281 B5R0.1 CSCN(C)C 269982a_100102631434_100011218213 [1,1,0,0,0,0|1,1,0]=4 1282 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [1,1,0,0,0,0|0,1,0]=3 1283 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [1,1,0,0,0,0|0,1,0]=3 1284 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [1,1,0,0,0,0|0,0,0]=2 1285 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [1,1,0,0,0,0|0,0,0]=2 1286 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [1,1,0,0,0,0|0,1,0]=3 1287 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [1,1,0,0,0,0|0,1,0]=3 1288 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [1,1,0,0,0,0|1,0,0]=3 1289 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [1,1,0,0,0,0|1,0,1]=4 1290 B5R0.1 [13CH3]NCC(F)F 34a_100000765723_200025704644 [1,1,0,0,0,0|2,0,0]=4 1291 B5R0.1 [13CH3]OCC(F)F 34a_100000743014_200025704644 [1,1,0,0,0,0|1,0,0]=3 1292 B5R0.1 [13CH3]SCC(F)F 62a_100011934356_200025704644 [1,1,0,0,0,0|1,1,0]=4 1293 B5R0.1 [13CH3]SCC(F)F 62a_200025704644_100011934356 [1,1,0,0,0,0|1,1,0]=4 1294 B5R0.3 C#CC(C)OC 34a_100138415774_200000035995 [1,1,0,0,0,0|0,0,2]=4 1295 B5R0.3 C#C[C@@H](C)OC 34a_100009815206_200000210301 [1,1,0,0,0,0|0,0,2]=4 1296 B5R0.3 C#C[C@@H](C)OC 7a_100009815206_200000210301 [1,1,0,0,0,0|0,0,2]=4 1297 B5R0.3 C#C[C@@H](C)O[13CH3] 34a_100009815206_200025704644 [1,1,0,0,0,0|0,0,2]=4 1298 B5R0.3 C#C[C@@H](C)O[13CH3] 7a_100009815206_200025704644 [1,1,0,0,0,0|0,0,2]=4 1299 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [1,1,0,0,0,0|0,0,2]=4 1300 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [1,1,0,0,0,0|0,0,2]=4 1301 B5R0.3 CC(C#N)O[13CH3] 34a_100011218135_200025704644 [1,1,0,0,0,0|1,0,1]=4 1302 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [1,1,0,0,0,0|1,0,0]=3 1303 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [1,1,0,0,0,0|1,0,0]=3 1304 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [1,1,0,0,0,0|1,0,0]=3 1305 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [1,1,0,0,0,0|0,1,0]=3 1306 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [1,1,0,0,0,0|1,0,1]=4 1307 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [1,1,0,0,0,0|1,0,1]=4 1308 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [1,1,0,0,0,0|1,0,1]=4 1309 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [1,1,0,0,0,0|1,0,1]=4 1310 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [1,1,0,0,0,0|1,0,1]=4 1311 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [1,1,0,0,0,0|1,0,1]=4 1312 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [1,1,0,0,0,0|1,0,0]=3 1313 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [1,1,0,0,0,0|1,0,0]=3 1314 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [1,1,0,0,0,0|1,0,0]=3 1315 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [1,1,0,0,0,0|1,0,0]=3 1316 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [1,1,0,0,0,0|1,0,0]=3 1317 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [1,1,0,0,0,0|0,0,0]=2 1318 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [1,1,0,0,0,0|0,0,0]=2 1319 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [1,1,0,0,0,0|0,0,0]=2 1320 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [1,1,0,0,0,0|0,1,0]=3 1321 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [1,1,0,0,0,0|0,1,0]=3 1322 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [1,1,0,0,0,0|0,1,0]=3 1323 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [1,1,0,0,0,0|0,1,0]=3 1324 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [1,1,0,0,0,0|2,0,0]=4 1325 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [1,1,0,0,0,0|2,0,0]=4 1326 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [1,1,0,0,0,0|2,0,0]=4 1327 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [1,1,0,0,0,0|2,0,0]=4 1328 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [1,1,0,0,0,0|2,0,0]=4 1329 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [1,1,0,0,0,0|2,0,0]=4 1330 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [1,1,0,0,0,0|2,0,0]=4 1331 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [1,1,0,0,0,0|2,0,0]=4 1332 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [1,1,0,0,0,0|1,0,1]=4 1333 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [1,1,0,0,0,0|1,0,1]=4 1334 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [1,1,0,0,0,0|1,0,0]=3 1335 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [1,1,0,0,0,0|1,0,0]=3 1336 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [1,1,0,0,0,0|1,0,0]=3 1337 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [1,1,0,0,0,0|1,0,0]=3 1338 B5R0.3 COC(C)C#N 34a_100011218135_200000210301 [1,1,0,0,0,0|1,0,1]=4 1339 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [1,1,0,0,0,0|1,0,0]=3 1340 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [1,1,0,0,0,0|1,0,0]=3 1341 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [1,1,0,0,0,0|1,0,0]=3 1342 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [1,1,0,0,0,0|0,0,0]=2 1343 B5R0.3 COC(C)SC 62a_100009879195_200000210301 [1,1,0,0,0,0|0,1,0]=3 1344 B5R0.3 COC(C)SC 62a_200000210301_100009879195 [1,1,0,0,0,0|0,1,0]=3 1345 B5R0.3 COC(C)S[13CH3] 62a_100009879195_200025704644 [1,1,0,0,0,0|0,1,0]=3 1346 B5R0.3 COC(C)S[13CH3] 62a_200025704644_100009879195 [1,1,0,0,0,0|0,1,0]=3 1347 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [1,1,0,0,0,0|0,1,0]=3 1348 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [1,1,0,0,0,0|0,1,0]=3 1349 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [1,1,0,0,0,0|0,1,0]=3 1350 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [1,1,0,0,0,0|1,0,0]=3 1351 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [1,1,0,0,0,0|0,1,0]=3 1352 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [1,1,0,0,0,0|0,1,0]=3 1353 B7R0.2 CC(=CC(C)O[13CH3])C 34a_100000717055_200025704644 [0,2,0,0,0,0|1,0,1]=4 1354 B7R0.2 CC(C)CC(C)N[13CH3] 2230a_100000692259_200025704644 [0,2,0,0,0,0|2,0,0]=4 1355 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [0,2,0,0,0,0|1,0,0]=3 1356 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [0,2,0,0,0,0|1,0,0]=3 1357 B7R0.2 CC(C)CC(C)S[13CH3] 62a_100000731052_200025704644 [0,2,0,0,0,0|1,1,0]=4 1358 B7R0.2 CC(C)CC(C)S[13CH3] 62a_200025704644_100000731052 [0,2,0,0,0,0|1,1,0]=4 1359 B7R0.2 CC(CN(C)C)S[13CH3] 62a_100020606517_200025704644 [0,2,0,0,0,0|1,1,0]=4 1360 B7R0.2 CC(CN(C)C)S[13CH3] 62a_200025704644_100020606517 [0,2,0,0,0,0|1,1,0]=4 1361 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [0,2,0,0,0,0|2,0,0]=4 1362 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [0,2,0,0,0,0|2,0,0]=4 1363 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [0,2,0,0,0,0|2,0,0]=4 1364 B7R0.2 CCC(C)CN(C)C 2230a_100000753921_200000210301 [0,2,0,0,0,0|2,0,0]=4 1365 B7R0.2 CCC(C)CN(C)C 2230a_100102631434_100000748023 [0,2,0,0,0,0|2,0,0]=4 1366 B7R0.2 CCC(C)CN(C)C 269982a_100000753921_200000210301 [0,2,0,0,0,0|2,0,0]=4 1367 B7R0.2 CCC(C)CN(C)C 269982a_100102631434_100000748023 [0,2,0,0,0,0|2,0,0]=4 1368 B7R0.2 CCC(C)CN(C)C 270004a_100102631434_100000243153 [0,2,0,0,0,0|2,0,0]=4 1369 B7R0.2 CCC(C)CN(C)[13CH3] 2230a_100000753921_200025704644 [0,2,0,0,0,0|2,0,0]=4 1370 B7R0.2 CCC(C)CN(C)[13CH3] 269982a_100000753921_200025704644 [0,2,0,0,0,0|2,0,0]=4 1371 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [0,2,0,0,0,0|2,0,0]=4 1372 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [0,2,0,0,0,0|2,0,0]=4 1373 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [0,2,0,0,0,0|2,0,0]=4 1374 B7R0.2 CCC(O)CN(C)C 2230a_100102631434_100011218378 [0,2,0,0,0,0|2,0,0]=4 1375 B7R0.2 CCC(O)CN(C)C 269982a_100102631434_100011218378 [0,2,0,0,0,0|2,0,0]=4 1376 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [0,2,0,0,0,0|2,0,0]=4 1377 B7R0.2 CC[C@H](C)CN(C)C 2230a_100102631434_100009816398 [0,2,0,0,0,0|2,0,0]=4 1378 B7R0.2 CC[C@H](C)CN(C)C 269982a_100102631434_100009816398 [0,2,0,0,0,0|2,0,0]=4 1379 B7R0.2 CNC(C)CC(C)C 2230a_100000692259_200000210301 [0,2,0,0,0,0|2,0,0]=4 1380 B7R0.2 CNC(C)CC(C)C 2230a_106832991635_100000731052 [0,2,0,0,0,0|2,0,0]=4 1381 B7R0.2 CNC(C)CC(C)C 34a_100102657272_100000731052 [0,2,0,0,0,0|2,0,0]=4 1382 B7R0.2 CNC(C)CC(C)C 7a_106832991635_100000731052 [0,2,0,0,0,0|2,0,0]=4 1383 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [0,2,0,0,0,0|1,0,1]=4 1384 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [0,2,0,0,0,0|1,0,1]=4 1385 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [0,2,0,0,0,0|1,0,1]=4 1386 B7R0.2 COC(=O)CN(C)C 2230a_100000198492_200000210301 [0,2,0,0,0,0|1,0,1]=4 1387 B7R0.2 COC(=O)CN(C)C 2230a_100102631434_100000747449 [0,2,0,0,0,0|1,0,1]=4 1388 B7R0.2 COC(=O)CN(C)C 269982a_100102631434_100000747449 [0,2,0,0,0,0|1,0,1]=4 1389 B7R0.2 COC(=O)CN(C)[13CH3] 2230a_100000198492_200025704644 [0,2,0,0,0,0|1,0,1]=4 1390 B7R0.2 COC(C)C=C(C)C 34a_100000717055_200000210301 [0,2,0,0,0,0|1,0,1]=4 1391 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [0,2,0,0,0,0|1,0,0]=3 1392 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [0,2,0,0,0,0|1,0,0]=3 1393 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [0,2,0,0,0,0|1,0,0]=3 1394 B7R0.2 COC(C)SC(C)C 62a_100000210206_100009879195 [0,2,0,0,0,0|2,0,0]=4 1395 B7R0.2 COC(C)SC(C)C 62a_100009879195_100000210206 [0,2,0,0,0,0|2,0,0]=4 1396 B7R0.2 CSC(C)CC(C)C 62a_100000731052_200000210301 [0,2,0,0,0,0|1,1,0]=4 1397 B7R0.2 CSC(C)CC(C)C 62a_200000210301_100000731052 [0,2,0,0,0,0|1,1,0]=4 1398 B7R0.2 CSC(C)CN(C)C 62a_100020606517_200000210301 [0,2,0,0,0,0|1,1,0]=4 1399 B7R0.2 CSC(C)CN(C)C 62a_200000210301_100020606517 [0,2,0,0,0,0|1,1,0]=4 1400 B7R0.3 C#C/C(=C\COC)/C 34a_100016990848_200000210301 [0,2,0,0,0,0|1,0,1]=4 1401 B7R0.3 C#C/C(=C\CO[13CH3])/C 34a_100016990848_200025704644 [0,2,0,0,0,0|1,0,1]=4 1402 B7R0.3 C#CC(=O)CCOC 1458a_100000211873_100000233755 [0,2,0,0,0,0|1,0,1]=4 1403 B7R0.3 C#CC(C)NCOC 2230a_100000707721_100000766300 [0,2,0,0,0,0|1,0,1]=4 1404 B7R0.3 C#CC(C)SCOC 62a_200000035995_100000766300 [0,2,0,0,0,0|1,0,1]=4 1405 B7R0.3 C#CCSC(C)OC 62a_100000038162_100009879195 [0,2,0,0,0,0|1,0,1]=4 1406 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [0,2,0,0,0,0|1,0,1]=4 1407 B7R0.3 C=CC(C)COCC 34a_100011215527_100000210202 [0,2,0,0,0,0|1,0,1]=4 1408 B7R0.3 C=CC(C)COCC 7a_100011215527_100000210202 [0,2,0,0,0,0|1,0,1]=4 1409 B7R0.3 C=CC(C)COCF 34a_100011215527_100015361967 [0,2,0,0,0,0|1,0,1]=4 1410 B7R0.3 C=CC(C)COCF 7a_100011215527_100015361967 [0,2,0,0,0,0|1,0,1]=4 1411 B7R0.3 C=CC(C)SCOC 62a_100011215867_100000766300 [0,2,0,0,0,0|1,0,1]=4 1412 B7R0.3 C=CC(O)COCC 34a_100121572206_100000730141 [0,2,0,0,0,0|1,0,1]=4 1413 B7R0.3 C=CCCC(C)OC 34a_100000765329_200000210301 [0,2,0,0,0,0|1,0,1]=4 1414 B7R0.3 C=CCCC(C)OC 7a_100000765329_200000210301 [0,2,0,0,0,0|1,0,1]=4 1415 B7R0.3 C=CCCC(C)O[13CH3] 34a_100000765329_200025704644 [0,2,0,0,0,0|1,0,1]=4 1416 B7R0.3 C=CCCC(C)O[13CH3] 7a_100000765329_200025704644 [0,2,0,0,0,0|1,0,1]=4 1417 B7R0.3 C=CCSC(C)OC 62a_100000210623_100009879195 [0,2,0,0,0,0|1,0,1]=4 1418 B7R0.3 C=CCSC(C)OC 62a_100009879195_100000210623 [0,2,0,0,0,0|1,0,1]=4 1419 B7R0.3 C=C[C@H](N)COCC 34a_100016989147_100000210202 [0,2,0,0,0,0|1,0,1]=4 1420 B7R0.3 C=C[C@H](N)COCF 34a_100016989147_100015361967 [0,2,0,0,0,0|1,0,1]=4 1421 B7R0.3 CC(CCCCl)O[13CH3] 34a_200000718107_200025704644 [0,2,0,0,0,0|1,0,0]=3 1422 B7R0.3 CC(CCCCl)O[13CH3] 7a_200000718107_200025704644 [0,2,0,0,0,0|1,0,0]=3 1423 B7R0.3 CC(CN)COCF 34a_100000744482_100015361967 [0,2,0,0,0,0|2,0,0]=4 1424 B7R0.3 CC(CO)CCN[13CH3] 2230a_106354213184_200025704644 [0,2,0,0,0,0|2,0,0]=4 1425 B7R0.3 CC(CO)CCN[13CH3] 34a_106354213184_200025704644 [0,2,0,0,0,0|2,0,0]=4 1426 B7R0.3 CCC#CC(C)OC 34a_100000033903_200000210301 [0,2,0,0,0,0|1,0,1]=4 1427 B7R0.3 CCC#CC(C)OC 7a_100000033903_200000210301 [0,2,0,0,0,0|1,0,1]=4 1428 B7R0.3 CCC#CC(C)O[13CH3] 34a_100000033903_200025704644 [0,2,0,0,0,0|1,0,1]=4 1429 B7R0.3 CCC#CC(C)O[13CH3] 7a_100000033903_200025704644 [0,2,0,0,0,0|1,0,1]=4 1430 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [0,2,0,0,0,0|1,0,0]=3 1431 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [0,2,0,0,0,0|1,0,0]=3 1432 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [0,2,0,0,0,0|1,1,0]=4 1433 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [0,2,0,0,0,0|1,1,0]=4 1434 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [0,2,0,0,0,0|1,0,1]=4 1435 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [0,2,0,0,0,0|2,0,0]=4 1436 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [0,2,0,0,0,0|2,0,0]=4 1437 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [0,2,0,0,0,0|1,0,0]=3 1438 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [0,2,0,0,0,0|1,0,0]=3 1439 B7R0.3 CCC(C)CSCF 62a_100000748023_100015361967 [0,2,0,0,0,0|1,1,0]=4 1440 B7R0.3 CCC(C)CSCF 62a_100015361967_100000748023 [0,2,0,0,0,0|1,1,0]=4 1441 B7R0.3 CCC(C)NCOC 2230a_100000209981_100000766300 [0,2,0,0,0,0|1,0,0]=3 1442 B7R0.3 CCC(C)NCSC 2230a_100000209981_100011218213 [0,2,0,0,0,0|1,1,0]=4 1443 B7R0.3 CCC(C)SCOC 62a_100000758301_100000766300 [0,2,0,0,0,0|1,0,0]=3 1444 B7R0.3 CCC(C)SCOC 62a_100000766300_100000758301 [0,2,0,0,0,0|1,0,0]=3 1445 B7R0.3 CCC(C)SCSC 62a_100000758301_100011218213 [0,2,0,0,0,0|1,1,0]=4 1446 B7R0.3 CCC(C)SCSC 62a_100011218213_100000758301 [0,2,0,0,0,0|1,1,0]=4 1447 B7R0.3 CCC(O)CSCF 62a_100011218378_100015361967 [0,2,0,0,0,0|1,1,0]=4 1448 B7R0.3 CCC(O)CSCF 62a_100015361967_100011218378 [0,2,0,0,0,0|1,1,0]=4 1449 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [0,2,0,0,0,0|2,0,0]=4 1450 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [0,2,0,0,0,0|2,0,0]=4 1451 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [0,2,0,0,0,0|2,0,0]=4 1452 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [0,2,0,0,0,0|2,0,0]=4 1453 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [0,2,0,0,0,0|2,0,0]=4 1454 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [0,2,0,0,0,0|2,0,0]=4 1455 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [0,2,0,0,0,0|2,0,0]=4 1456 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [0,2,0,0,0,0|2,0,0]=4 1457 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [0,2,0,0,0,0|2,0,0]=4 1458 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [0,2,0,0,0,0|2,0,0]=4 1459 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [0,2,0,0,0,0|2,0,0]=4 1460 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [0,2,0,0,0,0|2,0,0]=4 1461 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [0,2,0,0,0,0|2,0,0]=4 1462 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [0,2,0,0,0,0|2,0,0]=4 1463 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [0,2,0,0,0,0|1,0,0]=3 1464 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [0,2,0,0,0,0|1,0,0]=3 1465 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [0,2,0,0,0,0|1,0,0]=3 1466 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [0,2,0,0,0,0|1,0,0]=3 1467 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [0,2,0,0,0,0|1,0,0]=3 1468 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [0,2,0,0,0,0|1,1,0]=4 1469 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [0,2,0,0,0,0|1,1,0]=4 1470 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [0,2,0,0,0,0|1,1,0]=4 1471 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [0,2,0,0,0,0|1,1,0]=4 1472 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [0,2,0,0,0,0|2,0,0]=4 1473 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [0,2,0,0,0,0|2,0,0]=4 1474 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [0,2,0,0,0,0|2,0,0]=4 1475 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [0,2,0,0,0,0|2,0,0]=4 1476 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [0,2,0,0,0,0|2,0,0]=4 1477 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [0,2,0,0,0,0|2,0,0]=4 1478 B7R0.3 CCCCN(C)CF 269982a_100000207549_100015361967 [0,2,0,0,0,0|2,0,0]=4 1479 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [0,2,0,0,0,0|2,0,0]=4 1480 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [0,2,0,0,0,0|2,0,0]=4 1481 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [0,2,0,0,0,0|2,0,0]=4 1482 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [0,2,0,0,0,0|2,0,0]=4 1483 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [0,2,0,0,0,0|2,0,0]=4 1484 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [0,2,0,0,0,0|2,0,0]=4 1485 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [0,2,0,0,0,0|2,0,0]=4 1486 B7R0.3 CCCSC(C)OC 62a_100000210303_100009879195 [0,2,0,0,0,0|1,0,0]=3 1487 B7R0.3 CCCSC(C)OC 62a_100009879195_100000210303 [0,2,0,0,0,0|1,0,0]=3 1488 B7R0.3 CCN(C)CCOC 2230a_100000225621_100011201679 [0,2,0,0,0,0|1,0,0]=3 1489 B7R0.3 CCN(C)CCOC 2230a_100000731262_200000210301 [0,2,0,0,0,0|1,0,0]=3 1490 B7R0.3 CCN(C)CCOC 2230a_100000743101_100000210202 [0,2,0,0,0,0|1,0,0]=3 1491 B7R0.3 CCN(C)CCOC 269982a_100000225621_100000233755 [0,2,0,0,0,0|1,0,0]=3 1492 B7R0.3 CCN(C)CCOC 269982a_100000731262_200000210301 [0,2,0,0,0,0|1,0,0]=3 1493 B7R0.3 CCN(C)CCOC 269982a_100000743101_100000204670 [0,2,0,0,0,0|1,0,0]=3 1494 B7R0.3 CCN(C)CCSC 2230a_100000225621_100000751147 [0,2,0,0,0,0|1,1,0]=4 1495 B7R0.3 CCN(C)CCSC 2230a_100000686725_100000210202 [0,2,0,0,0,0|1,1,0]=4 1496 B7R0.3 CCN(C)CCSC 269982a_100000225621_100000212216 [0,2,0,0,0,0|1,1,0]=4 1497 B7R0.3 CCN(C)CCSC 269982a_100000686725_100000204670 [0,2,0,0,0,0|1,1,0]=4 1498 B7R0.3 CCN([13CH3])CCOC 2230a_100000731262_200025704644 [0,2,0,0,0,0|1,0,0]=3 1499 B7R0.3 CCN([13CH3])CCOC 269982a_100000731262_200025704644 [0,2,0,0,0,0|1,0,0]=3 1500 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [0,2,0,0,0,0|1,0,1]=4 1501 B7R0.3 CCNCC(C)CC 2230a_100015525214_100000748023 [0,2,0,0,0,0|2,0,0]=4 1502 B7R0.3 CCNCC(C)CC 2230a_100020588543_100000210202 [0,2,0,0,0,0|2,0,0]=4 1503 B7R0.3 CCNCC(C)CC 270004a_100015525214_100000243153 [0,2,0,0,0,0|2,0,0]=4 1504 B7R0.3 CCNCC(O)CC 2230a_100011218483_100000210202 [0,2,0,0,0,0|2,0,0]=4 1505 B7R0.3 CCNCC(O)CC 2230a_100015525214_100011218378 [0,2,0,0,0,0|2,0,0]=4 1506 B7R0.3 CCNC[C@@H](C)CC 2230a_100015525214_100009816398 [0,2,0,0,0,0|2,0,0]=4 1507 B7R0.3 CCNC[C@@H](C)OC 2230a_100020591295_100000210202 [0,2,0,0,0,0|1,0,0]=3 1508 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [0,2,0,0,0,0|1,0,1]=4 1509 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [0,2,0,0,0,0|1,0,1]=4 1510 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [0,2,0,0,0,0|1,0,1]=4 1511 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [0,2,0,0,0,0|1,0,1]=4 1512 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [0,2,0,0,0,0|1,0,1]=4 1513 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [0,2,0,0,0,0|1,0,1]=4 1514 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [0,2,0,0,0,0|1,0,1]=4 1515 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [0,2,0,0,0,0|1,0,1]=4 1516 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [0,2,0,0,0,0|0,0,1]=3 1517 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [0,2,0,0,0,0|1,0,0]=3 1518 B7R0.3 CCOCC(C)CN 34a_100000744482_100000210202 [0,2,0,0,0,0|2,0,0]=4 1519 B7R0.3 CCOCC(C)OC 34a_100000690652_100000210202 [0,2,0,0,0,0|0,0,0]=2 1520 B7R0.3 CCOCC(C)OC 34a_100000718985_200000210301 [0,2,0,0,0,0|0,0,0]=2 1521 B7R0.3 CCOCC(C)OC 7a_100000718985_200000210301 [0,2,0,0,0,0|0,0,0]=2 1522 B7R0.3 CCOCC(C)O[13CH3] 34a_100000718985_200025704644 [0,2,0,0,0,0|0,0,0]=2 1523 B7R0.3 CCOCC(C)O[13CH3] 7a_100000718985_200025704644 [0,2,0,0,0,0|0,0,0]=2 1524 B7R0.3 CCOCC(Cl)CCl 34a_100000033668_100000210202 [0,2,0,0,0,0|2,0,0]=4 1525 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [0,2,0,0,0,0|1,0,0]=3 1526 B7R0.3 CCOCC(O)CO 34a_100121572206_100011219619 [0,2,0,0,0,0|2,0,0]=4 1527 B7R0.3 CCOCN(C)CC 269982a_100000225621_100000739092 [0,2,0,0,0,0|2,0,0]=4 1528 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [0,2,0,0,0,0|1,0,0]=3 1529 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [0,2,0,0,0,0|1,0,0]=3 1530 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [0,2,0,0,0,0|2,0,0]=4 1531 B7R0.3 CCOC[C@@H](O)CF 34a_100121572206_100015614560 [0,2,0,0,0,0|2,0,0]=4 1532 B7R0.3 CCOC[C@@H](O)CO 34a_100121572206_100009815848 [0,2,0,0,0,0|2,0,0]=4 1533 B7R0.3 CCOC[C@H](F)CN 34a_100015665980_100000210202 [0,2,0,0,0,0|2,0,0]=4 1534 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [0,2,0,0,0,0|0,1,1]=4 1535 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [0,2,0,0,0,0|0,1,1]=4 1536 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [0,2,0,0,0,0|1,1,0]=4 1537 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [0,2,0,0,0,0|1,1,0]=4 1538 B7R0.3 CCSCC(C)NC 270004a_106832991635_200011216171 [0,2,0,0,0,0|1,1,0]=4 1539 B7R0.3 CCSCC(O)CC 62a_100000210202_100011218378 [0,2,0,0,0,0|1,1,0]=4 1540 B7R0.3 CCSCC(O)CC 62a_100011218378_100000210202 [0,2,0,0,0,0|1,1,0]=4 1541 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [0,2,0,0,0,0|1,1,0]=4 1542 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [0,2,0,0,0,0|1,1,0]=4 1543 B7R0.3 CC[C@H](C)COCF 7a_100009816381_100015361967 [0,2,0,0,0,0|1,0,0]=3 1544 B7R0.3 CC[C@H](C)CSCF 62a_100009816398_100015361967 [0,2,0,0,0,0|1,1,0]=4 1545 B7R0.3 CC[C@H](C)CSCF 62a_100015361967_100009816398 [0,2,0,0,0,0|1,1,0]=4 1546 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [0,2,0,0,0,0|2,0,0]=4 1547 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [0,2,0,0,0,0|2,0,0]=4 1548 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [0,2,0,0,0,0|1,0,0]=3 1549 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [0,2,0,0,0,0|1,0,0]=3 1550 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [0,2,0,0,0,0|1,0,0]=3 1551 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [0,2,0,0,0,0|1,0,0]=3 1552 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [0,2,0,0,0,0|1,0,0]=3 1553 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [0,2,0,0,0,0|1,0,0]=3 1554 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [0,2,0,0,0,0|1,0,0]=3 1555 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [0,2,0,0,0,0|1,1,0]=4 1556 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [0,2,0,0,0,0|1,1,0]=4 1557 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [0,2,0,0,0,0|1,1,0]=4 1558 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [0,2,0,0,0,0|1,1,0]=4 1559 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [0,2,0,0,0,0|1,1,0]=4 1560 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [0,2,0,0,0,0|1,1,0]=4 1561 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [0,2,0,0,0,0|1,1,0]=4 1562 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [0,2,0,0,0,0|1,1,0]=4 1563 B7R0.3 CNC(=O)COCF 34a_100000750040_100015361967 [0,2,0,0,0,0|1,0,1]=4 1564 B7R0.3 CNC(C)CCOC 270004a_106832991635_100000742357 [0,2,0,0,0,0|1,0,0]=3 1565 B7R0.3 CNC(C)CCSC 270004a_106832991635_100011217047 [0,2,0,0,0,0|1,1,0]=4 1566 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [0,2,0,0,0,0|2,0,0]=4 1567 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [0,2,0,0,0,0|2,0,0]=4 1568 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [0,2,0,0,0,0|2,0,0]=4 1569 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [0,2,0,0,0,0|2,0,0]=4 1570 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [0,2,0,0,0,0|2,0,0]=4 1571 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [0,2,0,0,0,0|1,0,0]=3 1572 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [0,2,0,0,0,0|1,0,0]=3 1573 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [0,2,0,0,0,0|1,0,0]=3 1574 B7R0.3 CNCCC(C)CO 2230a_106354213184_200000210301 [0,2,0,0,0,0|2,0,0]=4 1575 B7R0.3 CNCCC(C)CO 34a_106354213184_200000210301 [0,2,0,0,0,0|2,0,0]=4 1576 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [0,2,0,0,0,0|0,1,0]=3 1577 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [0,2,0,0,0,0|0,1,0]=3 1578 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [0,2,0,0,0,0|0,1,0]=3 1579 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [0,2,0,0,0,0|0,1,0]=3 1580 B7R0.3 COC(=O)CSCF 62a_100000747449_100015361967 [0,2,0,0,0,0|0,1,1]=4 1581 B7R0.3 COC(=O)CSCF 62a_100015361967_100000747449 [0,2,0,0,0,0|0,1,1]=4 1582 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [0,2,0,0,0,0|0,1,1]=4 1583 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [0,2,0,0,0,0|0,1,1]=4 1584 B7R0.3 COC(C)CCCCl 34a_200000718107_200000210301 [0,2,0,0,0,0|1,0,0]=3 1585 B7R0.3 COC(C)CCCCl 7a_200000718107_200000210301 [0,2,0,0,0,0|1,0,0]=3 1586 B7R0.3 COC(C)CCO[13CH3] 7a_100000764861_200025704644 [0,2,0,0,0,0|0,0,0]=2 1587 B7R0.3 COC(C)COCF 34a_100000690652_100015361967 [0,2,0,0,0,0|0,0,0]=2 1588 B7R0.3 COC(C)SCC#N 62a_100009879195_100011215382 [0,2,0,0,0,0|2,0,0]=4 1589 B7R0.3 COC(C)SCC#N 62a_100011215382_100009879195 [0,2,0,0,0,0|2,0,0]=4 1590 B7R0.3 COC(C)SCC=O 62a_100009879195_200015260668 [0,2,0,0,0,0|2,0,0]=4 1591 B7R0.3 COC(C)SCC=O 62a_200015260668_100009879195 [0,2,0,0,0,0|2,0,0]=4 1592 B7R0.3 COC(C)SCCF 62a_100009879195_100011217306 [0,2,0,0,0,0|2,0,0]=4 1593 B7R0.3 COC(C)SCCF 62a_100011217306_100009879195 [0,2,0,0,0,0|2,0,0]=4 1594 B7R0.3 COC(C)SCCO 62a_100000211926_100009879195 [0,2,0,0,0,0|2,0,0]=4 1595 B7R0.3 COC(C)SCCO 62a_100009879195_100000211926 [0,2,0,0,0,0|2,0,0]=4 1596 B7R0.3 COC(C)SCSC 62a_100009879195_100011218213 [0,2,0,0,0,0|0,1,0]=3 1597 B7R0.3 COC(C)SCSC 62a_100011218213_100009879195 [0,2,0,0,0,0|0,1,0]=3 1598 B7R0.3 COCCC(=NO)N 34a_100000749954_200000210301 [0,2,0,0,0,0|2,0,0]=4 1599 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [0,2,0,0,0,0|1,0,0]=3 1600 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [0,2,0,0,0,0|1,0,0]=3 1601 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [0,2,0,0,0,0|0,0,0]=2 1602 B7R0.3 COCCC(C)OC 7a_100000764861_200000210301 [0,2,0,0,0,0|0,0,0]=2 1603 B7R0.3 COCCN(C)CF 269982a_100000743101_100015361967 [0,2,0,0,0,0|1,0,0]=3 1604 B7R0.3 COCNC(C)C#N 2230a_100000737613_100000766300 [0,2,0,0,0,0|2,0,0]=4 1605 B7R0.3 COCN[C@H](C)CO 2230a_100000737577_100000766300 [0,2,0,0,0,0|2,0,0]=4 1606 B7R0.3 COCSC(C)C#N 62a_100000703298_100000766300 [0,2,0,0,0,0|2,0,0]=4 1607 B7R0.3 COCSC(C)C#N 62a_100000766300_100000703298 [0,2,0,0,0,0|2,0,0]=4 1608 B7R0.3 COCSC(C)CO 62a_100012180447_100000766300 [0,2,0,0,0,0|2,0,0]=4 1609 B7R0.3 COCSC(C)OC 62a_100000766300_100009879195 [0,2,0,0,0,0|0,0,0]=2 1610 B7R0.3 COCSC(C)OC 62a_100009879195_100000766300 [0,2,0,0,0,0|0,0,0]=2 1611 B7R0.3 COCSC(F)C#N 62a_100000766300_200000117898 [0,2,0,0,0,0|2,0,0]=4 1612 B7R0.3 COCSC(F)C#N 62a_200000117898_100000766300 [0,2,0,0,0,0|2,0,0]=4 1613 B7R0.3 COCS[C@H](C)CO 62a_100000766300_100016084084 [0,2,0,0,0,0|2,0,0]=4 1614 B7R0.3 COCS[C@H](C)CO 62a_100016084084_100000766300 [0,2,0,0,0,0|2,0,0]=4 1615 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [0,2,0,0,0,0|1,1,0]=4 1616 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [0,2,0,0,0,0|1,1,0]=4 1617 B7R0.3 CSCCN(C)CF 269982a_100000686725_100015361967 [0,2,0,0,0,0|1,1,0]=4 1618 B7R0.3 FCOCC(Cl)CCl 34a_100000033668_100015361967 [0,2,0,0,0,0|2,0,0]=4 1619 B7R0.3 NC[C@@H](F)COCF 34a_100015665980_100015361967 [0,2,0,0,0,0|2,0,0]=4 1620 B7R0.3 [13CH3]OCCC(=NO)N 34a_100000749954_200025704644 [0,2,0,0,0,0|2,0,0]=4 1621 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [0,2,0,0,0,0|1,0,0]=3 1622 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [0,2,0,0,0,0|1,0,0]=3 1623 B7R0.5 CC(C)C(O)CN[13CH3] 2230a_100000759067_200025704644 [0,2,0,0,0,0|2,0,0]=4 1624 B7R0.5 CC(C)C(O)CN[13CH3] 34a_100000759067_200025704644 [0,2,0,0,0,0|2,0,0]=4 1625 B7R0.5 CC(C)[C@@H](N)CO[13CH3] 34a_100011830312_200025704644 [0,2,0,0,0,0|1,0,0]=3 1626 B7R0.5 CC(CO[13CH3])[N+](=O)[O-] 34a_100000039676_200025704644 [0,2,0,0,0,0|2,0,0]=4 1627 B7R0.5 CC(CO[13CH3])[N+](=O)[O-] 7a_100000039676_200025704644 [0,2,0,0,0,0|2,0,0]=4 1628 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [0,2,0,0,0,0|2,0,0]=4 1629 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [0,2,0,0,0,0|2,0,0]=4 1630 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [0,2,0,0,0,0|2,0,0]=4 1631 B7R0.5 CCCC(C)N(C)C 2230a_100102631434_100000766640 [0,2,0,0,0,0|2,0,0]=4 1632 B7R0.5 CCCC(C)N(C)C 269982a_100102631434_100000766640 [0,2,0,0,0,0|2,0,0]=4 1633 B7R0.5 CCCC(C)N(C)C 270004a_100102631434_100000211909 [0,2,0,0,0,0|2,0,0]=4 1634 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [0,2,0,0,0,0|2,0,0]=4 1635 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [0,2,0,0,0,0|2,0,0]=4 1636 B7R0.5 CNCC(O)C(C)C 2230a_100000759067_200000210301 [0,2,0,0,0,0|2,0,0]=4 1637 B7R0.5 CNCC(O)C(C)C 34a_100000759067_200000210301 [0,2,0,0,0,0|2,0,0]=4 1638 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [0,2,0,0,0,0|1,0,1]=4 1639 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [0,2,0,0,0,0|1,0,1]=4 1640 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [0,2,0,0,0,0|1,0,1]=4 1641 B7R0.5 COCC(=O)N(C)C 11a_100102631434_100000210968 [0,2,0,0,0,0|1,0,1]=4 1642 B7R0.5 COCC(=O)N(C)C 1626a_100102631434_100000210968 [0,2,0,0,0,0|1,0,1]=4 1643 B7R0.5 COCC(=O)N(C)C 240690a_100102631434_100000210968 [0,2,0,0,0,0|1,0,1]=4 1644 B7R0.5 COCC(=O)N(C)C 34a_100138415774_100000692301 [0,2,0,0,0,0|1,0,1]=4 1645 B7R0.5 COCC(=O)N(C)C 527a_100102631434_100000210968 [0,2,0,0,0,0|1,0,1]=4 1646 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [0,2,0,0,0,0|1,0,0]=3 1647 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [0,2,0,0,0,0|1,0,0]=3 1648 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [0,2,0,0,0,0|1,0,0]=3 1649 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [0,2,0,0,0,0|1,0,0]=3 1650 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [0,2,0,0,0,0|1,0,0]=3 1651 B7R0.5 COCC(C)N(C)C 2230a_100102631434_100000765312 [0,2,0,0,0,0|1,0,0]=3 1652 B7R0.5 COCC(C)N(C)C 269982a_100102631434_100000765312 [0,2,0,0,0,0|1,0,0]=3 1653 B7R0.5 COCC(C)N(C)C 270004a_100102631434_100000749346 [0,2,0,0,0,0|1,0,0]=3 1654 B7R0.5 COCC(C)[N+](=O)[O-] 34a_100000039676_200000210301 [0,2,0,0,0,0|2,0,0]=4 1655 B7R0.5 COCC(C)[N+](=O)[O-] 7a_100000039676_200000210301 [0,2,0,0,0,0|2,0,0]=4 1656 B7R0.5 COCN(C)C(C)C 269982a_200000211004_100000766300 [0,2,0,0,0,0|2,0,0]=4 1657 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [0,2,0,0,0,0|2,0,0]=4 1658 B7R0.5 COC[C@H](N)C(C)C 34a_100011830312_200000210301 [0,2,0,0,0,0|1,0,0]=3 1659 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [0,2,0,0,0,0|1,1,0]=4 1660 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [0,2,0,0,0,0|1,1,0]=4 1661 B7R0.5 CSCC(C)N(C)C 270004a_100102631434_100011216314 [0,2,0,0,0,0|1,1,0]=4 1662 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [0,2,0,0,0,0|2,0,0]=4 1663 B7R0.7 C#CCC(=O)COC 1458a_100000210968_100000184674 [0,2,0,0,0,0|1,0,1]=4 1664 B7R0.7 C#CCC(C)OCC 34a_100000685586_100000210202 [0,2,0,0,0,0|1,0,1]=4 1665 B7R0.7 C#CCC(C)OCC 7a_100000685586_100000210202 [0,2,0,0,0,0|1,0,1]=4 1666 B7R0.7 C#CCC(C)OCF 34a_100000685586_100015361967 [0,2,0,0,0,0|1,0,1]=4 1667 B7R0.7 C#CCC(C)OCF 7a_100000685586_100015361967 [0,2,0,0,0,0|1,0,1]=4 1668 B7R0.7 C#CCN(C)COC 2230a_100000225692_100000766300 [0,2,0,0,0,0|1,0,1]=4 1669 B7R0.7 C/C=C/C(C)OCC 34a_200102604097_100000210202 [0,2,0,0,0,0|1,0,1]=4 1670 B7R0.7 C/C=C/C(C)OCF 34a_200102604097_100015361967 [0,2,0,0,0,0|1,0,1]=4 1671 B7R0.7 C=CCC(=O)COC 1458a_100000210968_100000210623 [0,2,0,0,0,0|1,0,1]=4 1672 B7R0.7 C=CCC(C)COC 34a_100009832082_200000210301 [0,2,0,0,0,0|1,0,1]=4 1673 B7R0.7 C=CCC(C)COC 7a_100009832082_200000210301 [0,2,0,0,0,0|1,0,1]=4 1674 B7R0.7 C=CCC(C)CO[13CH3] 34a_100009832082_200025704644 [0,2,0,0,0,0|1,0,1]=4 1675 B7R0.7 C=CCC(C)CO[13CH3] 7a_100009832082_200025704644 [0,2,0,0,0,0|1,0,1]=4 1676 B7R0.7 C=CCN(C)COC 2230a_100000225617_100000766300 [0,2,0,0,0,0|1,0,1]=4 1677 B7R0.7 C=CCN(C)COC 269982a_100000225617_100000766300 [0,2,0,0,0,0|1,0,1]=4 1678 B7R0.7 C=CC[C@@H](C)OCC 34a_100000731007_100000210202 [0,2,0,0,0,0|1,0,1]=4 1679 B7R0.7 C=CC[C@@H](C)OCC 7a_100000731007_100000210202 [0,2,0,0,0,0|1,0,1]=4 1680 B7R0.7 C=CC[C@@H](C)OCF 34a_100000731007_100015361967 [0,2,0,0,0,0|1,0,1]=4 1681 B7R0.7 C=CC[C@@H](C)OCF 7a_100000731007_100015361967 [0,2,0,0,0,0|1,0,1]=4 1682 B7R0.7 C=CC[C@@H](N)COC 34a_100020615467_200000210301 [0,2,0,0,0,0|1,0,1]=4 1683 B7R0.7 C=CC[C@@H](N)CO[13CH3] 34a_100020615467_200025704644 [0,2,0,0,0,0|1,0,1]=4 1684 B7R0.7 C=COC(=O)COC 34a_100138415774_100000036128 [0,2,0,0,0,0|0,0,2]=4 1685 B7R0.7 CC#CC(C)OCC 34a_100011216543_100000210202 [0,2,0,0,0,0|1,0,1]=4 1686 B7R0.7 CC#CC(C)OCF 34a_100011216543_100015361967 [0,2,0,0,0,0|1,0,1]=4 1687 B7R0.7 CC(CCBr)OCF 34a_100012276601_100015361967 [0,2,0,0,0,0|2,0,0]=4 1688 B7R0.7 CC(CCN)CO[13CH3] 34a_106354213184_200025704644 [0,2,0,0,0,0|1,0,0]=3 1689 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [0,2,0,0,0,0|2,0,0]=4 1690 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [0,2,0,0,0,0|2,0,0]=4 1691 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [0,2,0,0,0,0|2,0,0]=4 1692 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [0,2,0,0,0,0|1,0,0]=3 1693 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [0,2,0,0,0,0|1,1,0]=4 1694 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [0,2,0,0,0,0|1,1,0]=4 1695 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [0,2,0,0,0,0|1,1,0]=4 1696 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [0,2,0,0,0,0|1,1,0]=4 1697 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [0,2,0,0,0,0|1,1,0]=4 1698 B7R0.7 CCCC(C)CNC 2230a_106832991635_100011216630 [0,2,0,0,0,0|2,0,0]=4 1699 B7R0.7 CCCC(C)CNC 270004a_106832991635_100000243154 [0,2,0,0,0,0|2,0,0]=4 1700 B7R0.7 CCCC(C)CNC 34a_100102657272_100011216630 [0,2,0,0,0,0|2,0,0]=4 1701 B7R0.7 CCCC(C)CNC 7a_106832991635_100011216630 [0,2,0,0,0,0|2,0,0]=4 1702 B7R0.7 CCCC(C)COC 34a_100000688023_200000210301 [0,2,0,0,0,0|1,0,0]=3 1703 B7R0.7 CCCC(C)COC 34a_100138415774_100011216630 [0,2,0,0,0,0|1,0,0]=3 1704 B7R0.7 CCCC(C)COC 7a_100000688023_200000210301 [0,2,0,0,0,0|1,0,0]=3 1705 B7R0.7 CCCC(C)CO[13CH3] 34a_100000688023_200025704644 [0,2,0,0,0,0|1,0,0]=3 1706 B7R0.7 CCCC(C)CO[13CH3] 7a_100000688023_200025704644 [0,2,0,0,0,0|1,0,0]=3 1707 B7R0.7 CCCC(C)CSC 62a_100011216630_200000210301 [0,2,0,0,0,0|1,1,0]=4 1708 B7R0.7 CCCC(C)CSC 62a_200000210301_100011216630 [0,2,0,0,0,0|1,1,0]=4 1709 B7R0.7 CCCC(C)CS[13CH3] 62a_100011216630_200025704644 [0,2,0,0,0,0|1,1,0]=4 1710 B7R0.7 CCCC(C)CS[13CH3] 62a_200025704644_100011216630 [0,2,0,0,0,0|1,1,0]=4 1711 B7R0.7 CCCC(C)NCC 2230a_100000741246_100000210202 [0,2,0,0,0,0|2,0,0]=4 1712 B7R0.7 CCCC(C)NCC 2230a_100015525214_100000766640 [0,2,0,0,0,0|2,0,0]=4 1713 B7R0.7 CCCC(C)NCC 270004a_100015525214_100000211909 [0,2,0,0,0,0|2,0,0]=4 1714 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [0,2,0,0,0,0|1,0,0]=3 1715 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [0,2,0,0,0,0|1,0,0]=3 1716 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [0,2,0,0,0,0|1,0,0]=3 1717 B7R0.7 CCCC(C)OCF 34a_100000764384_100015361967 [0,2,0,0,0,0|1,0,0]=3 1718 B7R0.7 CCCC(C)OCF 7a_100000764384_100015361967 [0,2,0,0,0,0|1,0,0]=3 1719 B7R0.7 CCCC(C)SCC 62a_100000210202_100000766640 [0,2,0,0,0,0|1,1,0]=4 1720 B7R0.7 CCCC(C)SCC 62a_100000766640_100000210202 [0,2,0,0,0,0|1,1,0]=4 1721 B7R0.7 CCCC(C)SCF 62a_100000766640_100015361967 [0,2,0,0,0,0|1,1,0]=4 1722 B7R0.7 CCCC(C)SCF 62a_100015361967_100000766640 [0,2,0,0,0,0|1,1,0]=4 1723 B7R0.7 CCCN(C)CCC 2230a_100000210455_200000210301 [0,2,0,0,0,0|2,0,0]=4 1724 B7R0.7 CCCN(C)CCC 2230a_100000747261_100000210303 [0,2,0,0,0,0|2,0,0]=4 1725 B7R0.7 CCCN(C)CCC 269982a_100000210455_200000210301 [0,2,0,0,0,0|2,0,0]=4 1726 B7R0.7 CCCN(C)CCC 269982a_100000747261_100000210303 [0,2,0,0,0,0|2,0,0]=4 1727 B7R0.7 CCCN(C)COC 2230a_100000747261_100000766300 [0,2,0,0,0,0|1,0,0]=3 1728 B7R0.7 CCCN(C)COC 269982a_100000747261_100000766300 [0,2,0,0,0,0|1,0,0]=3 1729 B7R0.7 CCCN(C)CSC 2230a_100000747261_100011218213 [0,2,0,0,0,0|1,1,0]=4 1730 B7R0.7 CCCN(C)CSC 269982a_100000747261_100011218213 [0,2,0,0,0,0|1,1,0]=4 1731 B7R0.7 CCCN([13CH3])CCC 2230a_100000210455_200025704644 [0,2,0,0,0,0|2,0,0]=4 1732 B7R0.7 CCCN([13CH3])CCC 269982a_100000210455_200025704644 [0,2,0,0,0,0|2,0,0]=4 1733 B7R0.7 CCC[C@H](N)COC 34a_100000732646_200000210301 [0,2,0,0,0,0|1,0,0]=3 1734 B7R0.7 CCC[C@H](N)CO[13CH3] 34a_100000732646_200025704644 [0,2,0,0,0,0|1,0,0]=3 1735 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [0,2,0,0,0,0|1,0,1]=4 1736 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [0,2,0,0,0,0|1,0,1]=4 1737 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [0,2,0,0,0,0|1,0,1]=4 1738 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [0,2,0,0,0,0|1,0,1]=4 1739 B7R0.7 CCNC(C)COC 2230a_100015525214_100000765312 [0,2,0,0,0,0|1,0,0]=3 1740 B7R0.7 CCNC(C)COC 270004a_100015525214_100000749346 [0,2,0,0,0,0|1,0,0]=3 1741 B7R0.7 CCNC(C)CSC 270004a_100015525214_100011216314 [0,2,0,0,0,0|1,1,0]=4 1742 B7R0.7 CCN[C@H](C)COC 2230a_100000764878_100000210202 [0,2,0,0,0,0|1,0,0]=3 1743 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [0,2,0,0,0,0|1,0,1]=4 1744 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [0,2,0,0,0,0|1,0,1]=4 1745 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [0,2,0,0,0,0|1,0,1]=4 1746 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [0,2,0,0,0,0|0,0,1]=3 1747 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [0,2,0,0,0,0|0,1,1]=4 1748 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [0,2,0,0,0,0|0,1,1]=4 1749 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [0,2,0,0,0,0|0,1,1]=4 1750 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [0,2,0,0,0,0|0,1,1]=4 1751 B7R0.7 CCOC(C)CCBr 34a_100012276601_100000210202 [0,2,0,0,0,0|2,0,0]=4 1752 B7R0.7 CCOC(C)CCO 34a_100121572206_100009893172 [0,2,0,0,0,0|2,0,0]=4 1753 B7R0.7 CCOC(C)COC 34a_100121572206_100000765312 [0,2,0,0,0,0|0,0,0]=2 1754 B7R0.7 CCO[C@H](C)COC 34a_100011934205_100000210202 [0,2,0,0,0,0|0,0,0]=2 1755 B7R0.7 CCSC(C)COC 62a_100000210202_100000765312 [0,2,0,0,0,0|0,1,0]=3 1756 B7R0.7 CCSC(C)COC 62a_100000765312_100000210202 [0,2,0,0,0,0|0,1,0]=3 1757 B7R0.7 CNCC(O)COC 2230a_100000756049_200000210301 [0,2,0,0,0,0|1,0,0]=3 1758 B7R0.7 CNCC(O)COC 34a_100000756049_200000210301 [0,2,0,0,0,0|1,0,0]=3 1759 B7R0.7 CNCC(O)COC 34a_100102657272_100011215053 [0,2,0,0,0,0|1,0,0]=3 1760 B7R0.7 CNCC(O)COC 7a_106832991635_100011215053 [0,2,0,0,0,0|1,0,0]=3 1761 B7R0.7 CNNC(=O)COC 22a_100016993582_100000210968 [0,2,0,0,0,0|1,0,1]=4 1762 B7R0.7 COCC(=O)CC#N 1458a_100000210968_100011214920 [0,2,0,0,0,0|2,0,0]=4 1763 B7R0.7 COCC(=O)CCF 1458a_100000210968_100011217306 [0,2,0,0,0,0|1,0,1]=4 1764 B7R0.7 COCC(=O)CCO 1458a_100000210968_100000211926 [0,2,0,0,0,0|1,0,1]=4 1765 B7R0.7 COCC(=O)NCO 34a_100138415774_100000185155 [0,2,0,0,0,0|1,0,1]=4 1766 B7R0.7 COCC(C)CCN 34a_106354213184_200000210301 [0,2,0,0,0,0|1,0,0]=3 1767 B7R0.7 COCC(C)SCF 62a_100000765312_100015361967 [0,2,0,0,0,0|0,1,0]=3 1768 B7R0.7 COCC(C)SCF 62a_100015361967_100000765312 [0,2,0,0,0,0|0,1,0]=3 1769 B7R0.7 COCC(N)COC 34a_100000724102_200000210301 [0,2,0,0,0,0|0,0,0]=2 1770 B7R0.7 COCC(N)CO[13CH3] 34a_100000724102_200025704644 [0,2,0,0,0,0|0,0,0]=2 1771 B7R0.7 COCC(O)CN[13CH3] 2230a_100000756049_200025704644 [0,2,0,0,0,0|1,0,0]=3 1772 B7R0.7 COCC(O)CN[13CH3] 34a_100000756049_200025704644 [0,2,0,0,0,0|1,0,0]=3 1773 B7R0.7 COCC(O)COC 34a_100138415774_100011215053 [0,2,0,0,0,0|0,0,0]=2 1774 B7R0.7 COCC(O)CSC 62a_100011215053_200000210301 [0,2,0,0,0,0|0,1,0]=3 1775 B7R0.7 COCC(O)CSC 62a_200000210301_100011215053 [0,2,0,0,0,0|0,1,0]=3 1776 B7R0.7 COCC(O)CS[13CH3] 62a_100011215053_200025704644 [0,2,0,0,0,0|0,1,0]=3 1777 B7R0.7 COCC(O)CS[13CH3] 62a_200025704644_100011215053 [0,2,0,0,0,0|0,1,0]=3 1778 B7R0.7 COCN(C)CC#N 2230a_100000748184_100000766300 [0,2,0,0,0,0|2,0,0]=4 1779 B7R0.7 COCN(C)CCO 2230a_100000210263_100000766300 [0,2,0,0,0,0|2,0,0]=4 1780 B7R0.7 COCN(C)CCO 269982a_100000210263_100000766300 [0,2,0,0,0,0|2,0,0]=4 1781 B7R0.7 COC[C@@H](C)OCF 34a_100011934205_100015361967 [0,2,0,0,0,0|0,0,0]=2 1782 B7R0.10 C=C[C@@H](C)[C@@H](C)OC 34a_100015455354_200000210301 [0,2,0,0,0,0|1,0,1]=4 1783 B7R0.10 C=C[C@@H](C)[C@@H](C)OC 7a_100015455354_200000210301 [0,2,0,0,0,0|1,0,1]=4 1784 B7R0.10 C=C[C@@H](C)[C@@H](C)O[13CH3] 34a_100015455354_200025704644 [0,2,0,0,0,0|1,0,1]=4 1785 B7R0.10 C=C[C@@H](C)[C@@H](C)O[13CH3] 7a_100015455354_200025704644 [0,2,0,0,0,0|1,0,1]=4 1786 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [0,2,0,0,0,0|1,0,1]=4 1787 B7R0.10 CCC(C)C(C)NC 269862a_106832991636_100000210599 [0,2,0,0,0,0|2,0,0]=4 1788 B7R0.10 CCC(C)C(C)NC 270004a_106832991635_100000210599 [0,2,0,0,0,0|2,0,0]=4 1789 B7R0.10 CCC(C)C(C)OC 7a_100011215189_200000210301 [0,2,0,0,0,0|1,0,0]=3 1790 B7R0.10 CCC(C)C(C)O[13CH3] 7a_100011215189_200025704644 [0,2,0,0,0,0|1,0,0]=3 1791 B7R0.10 CCN(C)C(C)OC 269982a_100000225621_100009879195 [0,2,0,0,0,0|2,0,0]=4 1792 B7R0.10 CNC(=O)C(C)OC 11a_106832991635_100000743197 [0,2,0,0,0,0|1,0,1]=4 1793 B7R0.10 CNC(=O)C(C)OC 1626a_100102657272_100000743197 [0,2,0,0,0,0|1,0,1]=4 1794 B7R0.10 CNC(=O)C(C)OC 240690a_100102657272_100000743197 [0,2,0,0,0,0|1,0,1]=4 1795 B7R0.10 CNC(=O)C(C)OC 34a_100138415774_100000731044 [0,2,0,0,0,0|1,0,1]=4 1796 B7R0.10 CNC(=O)C(C)OC 527a_100102657272_100000743197 [0,2,0,0,0,0|1,0,1]=4 1797 B7R0.10 CNC(=O)C(F)OC 34a_100138415774_100009813575 [0,2,0,0,0,0|1,0,1]=4 1798 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [0,2,0,0,0,0|1,0,1]=4 1799 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [0,2,0,0,0,0|1,0,1]=4 1800 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [0,2,0,0,0,0|1,0,1]=4 1801 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [0,2,0,0,0,0|0,0,1]=3 1802 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [0,2,0,0,0,0|0,0,1]=3 1803 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [0,2,0,0,0,0|0,0,1]=3 1804 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [0,2,0,0,0,0|0,1,1]=4 1805 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [0,2,0,0,0,0|0,1,1]=4 1806 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [0,2,0,0,0,0|0,1,1]=4 1807 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [0,2,0,0,0,0|0,1,1]=4 1808 B7R0.11 C=CCC(C)(C)OC 7a_100011995686_200000210301 [0,2,0,0,0,0|1,0,1]=4 1809 B7R0.11 C=CCC(C)(C)O[13CH3] 7a_100011995686_200025704644 [0,2,0,0,0,0|1,0,1]=4 1810 B7R0.11 CC(C)(CCBr)O[13CH3] 7a_100000702414_200025704644 [0,2,0,0,0,0|2,0,0]=4 1811 B7R0.11 CC(C)(CCl)CO[13CH3] 7a_100011217199_200025704644 [0,2,0,0,0,0|2,0,0]=4 1812 B7R0.11 CCC(C)(C)COC 7a_100000765029_200000210301 [0,2,0,0,0,0|1,0,0]=3 1813 B7R0.11 CCC(C)(C)CO[13CH3] 7a_100000765029_200025704644 [0,2,0,0,0,0|1,0,0]=3 1814 B7R0.11 CCCC(C)(C)OC 7a_100000748436_200000210301 [0,2,0,0,0,0|1,0,0]=3 1815 B7R0.11 CCCC(C)(C)O[13CH3] 7a_100000748436_200025704644 [0,2,0,0,0,0|1,0,0]=3 1816 B7R0.11 CNC(C)(C)COC 2230a_100000752728_200000210301 [0,2,0,0,0,0|1,0,0]=3 1817 B7R0.11 CNC(C)(C)CSC 2230a_100000759623_200000210301 [0,2,0,0,0,0|1,1,0]=4 1818 B7R0.11 CNC(C)(C)CSC 7a_100000759623_200000210301 [0,2,0,0,0,0|1,1,0]=4 1819 B7R0.11 CNCC(C)(C)OC 2230a_100000763424_200000210301 [0,2,0,0,0,0|1,0,0]=3 1820 B7R0.11 CNCC(C)(C)OC 34a_100102657272_100000701081 [0,2,0,0,0,0|1,0,0]=3 1821 B7R0.11 CNCC(C)(C)SC 270004a_106832991635_100009845794 [0,2,0,0,0,0|1,1,0]=4 1822 B7R0.11 COC(C)(C)CCBr 7a_100000702414_200000210301 [0,2,0,0,0,0|2,0,0]=4 1823 B7R0.11 COC(C)(C)CN[13CH3] 2230a_100000763424_200025704644 [0,2,0,0,0,0|1,0,0]=3 1824 B7R0.11 COC(C)(C)CSC 62a_100000701081_200000210301 [0,2,0,0,0,0|0,1,0]=3 1825 B7R0.11 COC(C)(C)CSC 62a_200000210301_100000701081 [0,2,0,0,0,0|0,1,0]=3 1826 B7R0.11 COC(C)(C)CS[13CH3] 62a_100000701081_200025704644 [0,2,0,0,0,0|0,1,0]=3 1827 B7R0.11 COC(C)(C)CS[13CH3] 62a_200025704644_100000701081 [0,2,0,0,0,0|0,1,0]=3 1828 B7R0.11 COCC(C)(C)CCl 7a_100011217199_200000210301 [0,2,0,0,0,0|2,0,0]=4 1829 B7R0.11 COCC(C)(C)CO 34a_100138415774_100009813988 [0,2,0,0,0,0|2,0,0]=4 1830 B7R0.11 COCC(C)(C)N[13CH3] 2230a_100000752728_200025704644 [0,2,0,0,0,0|1,0,0]=3 1831 B7R0.11 COCC(C)(C)OC 34a_100138415774_100000701081 [0,2,0,0,0,0|0,0,0]=2 1832 B7R0.11 COCC(F)(F)CN 34a_100000703232_200000210301 [0,2,0,0,0,0|2,0,0]=4 1833 B7R0.11 CSCC(C)(C)N[13CH3] 2230a_100000759623_200025704644 [0,2,0,0,0,0|1,1,0]=4 1834 B7R0.11 CSCC(C)(C)N[13CH3] 7a_100000759623_200025704644 [0,2,0,0,0,0|1,1,0]=4 1835 B7R0.11 [13CH3]OCC(F)(F)CN 34a_100000703232_200025704644 [0,2,0,0,0,0|2,0,0]=4 1836 B7R0.12 C#CC(CCC)OC 34a_200011217317_200000210301 [0,2,0,0,0,0|1,0,0]=3 1837 B7R0.12 C#CC(CCC)OC 7a_200011217317_200000210301 [0,2,0,0,0,0|1,0,0]=3 1838 B7R0.12 C#CC(CCC)O[13CH3] 34a_200011217317_200025704644 [0,2,0,0,0,0|1,0,0]=3 1839 B7R0.12 C#CC(CCC)O[13CH3] 7a_200011217317_200025704644 [0,2,0,0,0,0|1,0,0]=3 1840 B7R0.12 C#CCC(CC)OC 34a_200011217983_200000210301 [0,2,0,0,0,0|1,0,1]=4 1841 B7R0.12 C#CCC(CC)OC 7a_200011217983_200000210301 [0,2,0,0,0,0|1,0,1]=4 1842 B7R0.12 C#CCC(CC)O[13CH3] 34a_200011217983_200025704644 [0,2,0,0,0,0|1,0,1]=4 1843 B7R0.12 C#CCC(CC)O[13CH3] 7a_200011217983_200025704644 [0,2,0,0,0,0|1,0,1]=4 1844 B7R0.12 C=CC(CCC)OC 34a_100011216692_200000210301 [0,2,0,0,0,0|1,0,0]=3 1845 B7R0.12 C=CC(CCC)OC 7a_100011216692_200000210301 [0,2,0,0,0,0|1,0,0]=3 1846 B7R0.12 C=CC(CCC)O[13CH3] 34a_100011216692_200025704644 [0,2,0,0,0,0|1,0,0]=3 1847 B7R0.12 C=CC(CCC)O[13CH3] 7a_100011216692_200025704644 [0,2,0,0,0,0|1,0,0]=3 1848 B7R0.12 C=CCC(C=C)OC 34a_100000038011_200000210301 [0,2,0,0,0,0|1,0,1]=4 1849 B7R0.12 C=CCC(C=C)OC 7a_100000038011_200000210301 [0,2,0,0,0,0|1,0,1]=4 1850 B7R0.12 C=CCC(C=C)O[13CH3] 34a_100000038011_200025704644 [0,2,0,0,0,0|1,0,1]=4 1851 B7R0.12 C=CCC(C=C)O[13CH3] 7a_100000038011_200025704644 [0,2,0,0,0,0|1,0,1]=4 1852 B7R0.12 CC#CC(CC)OC 34a_200011219922_200000210301 [0,2,0,0,0,0|1,0,1]=4 1853 B7R0.12 CC#CC(CC)OC 7a_200011219922_200000210301 [0,2,0,0,0,0|1,0,1]=4 1854 B7R0.12 CC#CC(CC)O[13CH3] 34a_200011219922_200025704644 [0,2,0,0,0,0|1,0,1]=4 1855 B7R0.12 CC#CC(CC)O[13CH3] 7a_200011219922_200025704644 [0,2,0,0,0,0|1,0,1]=4 1856 B7R0.12 CCC(CC)CNC 2230a_100102946423_200000210301 [0,2,0,0,0,0|2,0,0]=4 1857 B7R0.12 CCC(CC)CNC 2230a_106832991635_100011215472 [0,2,0,0,0,0|2,0,0]=4 1858 B7R0.12 CCC(CC)CNC 269862a_106832991636_100000211137 [0,2,0,0,0,0|2,0,0]=4 1859 B7R0.12 CCC(CC)CNC 270004a_106832991635_100000211137 [0,2,0,0,0,0|2,0,0]=4 1860 B7R0.12 CCC(CC)CNC 34a_100102657272_100011215472 [0,2,0,0,0,0|2,0,0]=4 1861 B7R0.12 CCC(CC)CNC 7a_106832991635_100011215472 [0,2,0,0,0,0|2,0,0]=4 1862 B7R0.12 CCC(CC)CN[13CH3] 2230a_100102946423_200025704644 [0,2,0,0,0,0|2,0,0]=4 1863 B7R0.12 CCC(CC)COC 34a_100138415774_100011215472 [0,2,0,0,0,0|1,0,0]=3 1864 B7R0.12 CCC(CC)COC 7a_100000703878_200000210301 [0,2,0,0,0,0|1,0,0]=3 1865 B7R0.12 CCC(CC)CO[13CH3] 7a_100000703878_200025704644 [0,2,0,0,0,0|1,0,0]=3 1866 B7R0.12 CCC(CC)CSC 62a_100011215472_200000210301 [0,2,0,0,0,0|1,1,0]=4 1867 B7R0.12 CCC(CC)CSC 62a_200000210301_100011215472 [0,2,0,0,0,0|1,1,0]=4 1868 B7R0.12 CCC(CC)CS[13CH3] 62a_100011215472_200025704644 [0,2,0,0,0,0|1,1,0]=4 1869 B7R0.12 CCC(CC)CS[13CH3] 62a_200025704644_100011215472 [0,2,0,0,0,0|1,1,0]=4 1870 B7R0.12 CCC(COC)NC 2230a_100000757820_200000210301 [0,2,0,0,0,0|1,0,0]=3 1871 B7R0.12 CCC(COC)NC 270004a_106832991635_100000757811 [0,2,0,0,0,0|1,0,0]=3 1872 B7R0.12 CCC(COC)N[13CH3] 2230a_100000757820_200025704644 [0,2,0,0,0,0|1,0,0]=3 1873 B7R0.12 CCC(COC)OC 34a_100011934954_200000210301 [0,2,0,0,0,0|0,0,0]=2 1874 B7R0.12 CCC(COC)OC 7a_100011934954_200000210301 [0,2,0,0,0,0|0,0,0]=2 1875 B7R0.12 CCC(COC)OC 7a_200011214946_200000210301 [0,2,0,0,0,0|0,0,0]=2 1876 B7R0.12 CCC(COC)O[13CH3] 7a_200011214946_200025704644 [0,2,0,0,0,0|0,0,0]=2 1877 B7R0.12 CCC(CO[13CH3])OC 34a_100011934954_200025704644 [0,2,0,0,0,0|0,0,0]=2 1878 B7R0.12 CCC(CO[13CH3])OC 7a_100011934954_200025704644 [0,2,0,0,0,0|0,0,0]=2 1879 B7R0.12 CCCC(C#N)OC 34a_100000686963_200000210301 [0,2,0,0,0,0|1,0,0]=3 1880 B7R0.12 CCCC(C#N)OC 7a_100000686963_200000210301 [0,2,0,0,0,0|1,0,0]=3 1881 B7R0.12 CCCC(C#N)O[13CH3] 34a_100000686963_200025704644 [0,2,0,0,0,0|1,0,0]=3 1882 B7R0.12 CCCC(C#N)O[13CH3] 7a_100000686963_200025704644 [0,2,0,0,0,0|1,0,0]=3 1883 B7R0.12 CCCC(CC)NC 2230a_100000747048_200000210301 [0,2,0,0,0,0|2,0,0]=4 1884 B7R0.12 CCCC(CC)NC 270004a_106832991635_100000687865 [0,2,0,0,0,0|2,0,0]=4 1885 B7R0.12 CCCC(CC)NC 7a_106832991635_100011219200 [0,2,0,0,0,0|2,0,0]=4 1886 B7R0.12 CCCC(CC)N[13CH3] 2230a_100000747048_200025704644 [0,2,0,0,0,0|2,0,0]=4 1887 B7R0.12 CCCC(CC)OC 34a_100000687864_200000210301 [0,2,0,0,0,0|1,0,0]=3 1888 B7R0.12 CCCC(CC)OC 7a_100000687864_200000210301 [0,2,0,0,0,0|1,0,0]=3 1889 B7R0.12 CCCC(CC)O[13CH3] 34a_100000687864_200025704644 [0,2,0,0,0,0|1,0,0]=3 1890 B7R0.12 CCCC(CC)O[13CH3] 7a_100000687864_200025704644 [0,2,0,0,0,0|1,0,0]=3 1891 B7R0.12 CCCC(CC)SC 62a_100011219200_200000210301 [0,2,0,0,0,0|1,1,0]=4 1892 B7R0.12 CCCC(CC)SC 62a_200000210301_100011219200 [0,2,0,0,0,0|1,1,0]=4 1893 B7R0.12 CCCC(CC)S[13CH3] 62a_100011219200_200025704644 [0,2,0,0,0,0|1,1,0]=4 1894 B7R0.12 CCCC(CC)S[13CH3] 62a_200025704644_100011219200 [0,2,0,0,0,0|1,1,0]=4 1895 B7R0.12 CCC[C@@H](CO)NC 2230a_100000732646_200000210301 [0,2,0,0,0,0|2,0,0]=4 1896 B7R0.12 CCC[C@@H](CO)NC 34a_100000732646_200000210301 [0,2,0,0,0,0|2,0,0]=4 1897 B7R0.12 CCC[C@@H](CO)N[13CH3] 2230a_100000732646_200025704644 [0,2,0,0,0,0|2,0,0]=4 1898 B7R0.12 CCC[C@@H](CO)N[13CH3] 34a_100000732646_200025704644 [0,2,0,0,0,0|2,0,0]=4 1899 B7R0.12 CCN(CC)COC 2230a_100000724800_100000766300 [0,2,0,0,0,0|2,0,0]=4 1900 B7R0.12 CCN(CC)COC 269956a_100000042499_100000766300 [0,2,0,0,0,0|2,0,0]=4 1901 B7R0.12 CCN(CC)COC 269982a_100000724800_100000766300 [0,2,0,0,0,0|2,0,0]=4 1902 B7R0.12 CCN(CC)COC 7a_200015374951_200000210301 [0,2,0,0,0,0|2,0,0]=4 1903 B7R0.12 CCN(CC)CO[13CH3] 7a_200015374951_200025704644 [0,2,0,0,0,0|2,0,0]=4 1904 B7R0.12 CNC(CO)COC 2230a_100000724102_200000210301 [0,2,0,0,0,0|1,0,0]=3 1905 B7R0.12 CNC(CO)COC 34a_100000724102_200000210301 [0,2,0,0,0,0|1,0,0]=3 1906 B7R0.12 CNCC(OC)OC 2230a_106832991635_100000751394 [0,2,0,0,0,0|1,0,0]=3 1907 B7R0.12 CNCC(OC)OC 270004a_106832991635_100000752162 [0,2,0,0,0,0|1,0,0]=3 1908 B7R0.12 CNCC(OC)OC 34a_100102657272_100000211822 [0,2,0,0,0,0|1,0,0]=3 1909 B7R0.12 CNCC(OC)OC 7a_106832991635_100000751394 [0,2,0,0,0,0|1,0,0]=3 1910 B7R0.12 COC(CO[13CH3])OC 34a_100011216393_200025704644 [0,2,0,0,0,0|0,0,0]=2 1911 B7R0.12 COC(CSC)OC 62a_100000751394_200000210301 [0,2,0,0,0,0|0,1,0]=3 1912 B7R0.12 COC(CSC)OC 62a_200000210301_100000751394 [0,2,0,0,0,0|0,1,0]=3 1913 B7R0.12 COC(CS[13CH3])OC 62a_100000751394_200025704644 [0,2,0,0,0,0|0,1,0]=3 1914 B7R0.12 COC(CS[13CH3])OC 62a_200025704644_100000751394 [0,2,0,0,0,0|0,1,0]=3 1915 B7R0.12 COCC(CCl)OC 34a_100011215053_200000210301 [0,2,0,0,0,0|0,0,0]=2 1916 B7R0.12 COCC(CCl)O[13CH3] 34a_100011215053_200025704644 [0,2,0,0,0,0|0,0,0]=2 1917 B7R0.12 COCC(CN)OC 34a_100000756049_200000210301 [0,2,0,0,0,0|0,0,0]=2 1918 B7R0.12 COCC(CN)O[13CH3] 34a_100000756049_200025704644 [0,2,0,0,0,0|0,0,0]=2 1919 B7R0.12 COCC(CO)N[13CH3] 2230a_100000724102_200025704644 [0,2,0,0,0,0|1,0,0]=3 1920 B7R0.12 COCC(CO)N[13CH3] 34a_100000724102_200025704644 [0,2,0,0,0,0|1,0,0]=3 1921 B7R0.12 COCC(OC)OC 34a_100011216393_200000210301 [0,2,0,0,0,0|0,0,0]=2 1922 B7R0.12 COCC(OC)OC 34a_100138415774_100000211822 [0,2,0,0,0,0|0,0,0]=2 1923 B7R0.4 C#CCCOC(C)C 34a_100000212225_100000688953 [0,2,0,0,0,0|1,0,1]=4 1924 B7R0.4 C#CCCOC(C)C 34a_100011215631_100000210206 [0,2,0,0,0,0|1,0,1]=4 1925 B7R0.4 C/C=C/COC(C)C 34a_100000212225_100102629194 [0,2,0,0,0,0|1,0,1]=4 1926 B7R0.4 C/C=C/COC(C)C 34a_100016270725_100000210206 [0,2,0,0,0,0|1,0,1]=4 1927 B7R0.4 C=C(Br)CCOCC 34a_100009813270_100000210202 [0,2,0,0,0,0|1,0,1]=4 1928 B7R0.4 C=C(Br)CCOCF 34a_100009813270_100015361967 [0,2,0,0,0,0|1,0,1]=4 1929 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [0,2,0,0,0,0|2,0,0]=4 1930 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [0,2,0,0,0,0|1,0,0]=3 1931 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [0,2,0,0,0,0|1,0,0]=3 1932 B7R0.4 C=C(C)CCOCF 34a_100000764851_100015361967 [0,2,0,0,0,0|1,0,0]=3 1933 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [0,2,0,0,0,0|1,1,0]=4 1934 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [0,2,0,0,0,0|1,1,0]=4 1935 B7R0.4 C=C(C)CCSCF 62a_100000730704_100015361967 [0,2,0,0,0,0|1,1,0]=4 1936 B7R0.4 C=C(C)CCSCF 62a_100015361967_100000730704 [0,2,0,0,0,0|1,1,0]=4 1937 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [0,2,0,0,0,0|2,0,0]=4 1938 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [0,2,0,0,0,0|2,0,0]=4 1939 B7R0.4 C=C(C)COCSC 34a_100000210245_100011218213 [0,2,0,0,0,0|1,1,0]=4 1940 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [0,2,0,0,0,0|2,0,0]=4 1941 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [0,2,0,0,0,0|2,0,0]=4 1942 B7R0.4 C=C(C)CSCOC 62a_100000748629_100000766300 [0,2,0,0,0,0|1,0,0]=3 1943 B7R0.4 C=C(C)CSCOC 62a_100000766300_100000211660 [0,2,0,0,0,0|1,0,0]=3 1944 B7R0.4 C=C(C)CSCSC 62a_100000748629_100011218213 [0,2,0,0,0,0|1,1,0]=4 1945 B7R0.4 C=C(C)CSCSC 62a_100011218213_100000211660 [0,2,0,0,0,0|1,1,0]=4 1946 B7R0.4 C=C(F)CSCOC 62a_100000042424_100000766300 [0,2,0,0,0,0|1,0,1]=4 1947 B7R0.4 C=C(F)CSCOC 62a_100000766300_100000042424 [0,2,0,0,0,0|1,0,1]=4 1948 B7R0.4 C=CCCOC(C)C 34a_100000212225_100000754431 [0,2,0,0,0,0|1,0,1]=4 1949 B7R0.4 C=CCCOC(C)C 34a_100011205117_100000210206 [0,2,0,0,0,0|1,0,1]=4 1950 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [0,2,0,0,0,0|1,0,1]=4 1951 B7R0.4 C=COCCN(C)C 2230a_100102631434_100000039644 [0,2,0,0,0,0|1,0,1]=4 1952 B7R0.4 C=COCCN(C)C 269982a_100102631434_100000039644 [0,2,0,0,0,0|1,0,1]=4 1953 B7R0.4 CC#CCOC(C)C 34a_100000212225_100000748600 [0,2,0,0,0,0|1,0,1]=4 1954 B7R0.4 CC#CCOC(C)C 34a_100000761923_100000210206 [0,2,0,0,0,0|1,0,1]=4 1955 B7R0.4 CC(=CCCS[13CH3])C 62a_100011217483_200025704644 [0,2,0,0,0,0|1,1,0]=4 1956 B7R0.4 CC(=CCCS[13CH3])C 62a_200025704644_100011217483 [0,2,0,0,0,0|1,1,0]=4 1957 B7R0.4 CC(=CCOCF)C 34a_100000753907_100015361967 [0,2,0,0,0,0|1,0,1]=4 1958 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [0,2,0,0,0,0|2,0,0]=4 1959 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [0,2,0,0,0,0|2,0,0]=4 1960 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [0,2,0,0,0,0|2,0,0]=4 1961 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [0,2,0,0,0,0|1,0,0]=3 1962 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [0,2,0,0,0,0|1,0,0]=3 1963 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [0,2,0,0,0,0|1,1,0]=4 1964 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [0,2,0,0,0,0|1,1,0]=4 1965 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [0,2,0,0,0,0|1,0,0]=3 1966 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [0,2,0,0,0,0|1,0,0]=3 1967 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [0,2,0,0,0,0|1,1,0]=4 1968 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [0,2,0,0,0,0|1,1,0]=4 1969 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [0,2,0,0,0,0|2,0,0]=4 1970 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [0,2,0,0,0,0|1,0,0]=3 1971 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [0,2,0,0,0,0|1,1,0]=4 1972 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [0,2,0,0,0,0|1,1,0]=4 1973 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [0,2,0,0,0,0|0,1,0]=3 1974 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [0,2,0,0,0,0|0,1,0]=3 1975 B7R0.4 CC(Br)CCOCF 34a_100009893172_100015361967 [0,2,0,0,0,0|1,0,0]=3 1976 B7R0.4 CC(C)CCCN[13CH3] 2230a_200000737386_200025704644 [0,2,0,0,0,0|2,0,0]=4 1977 B7R0.4 CC(C)CCCN[13CH3] 34a_200000737386_200025704644 [0,2,0,0,0,0|2,0,0]=4 1978 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [0,2,0,0,0,0|1,0,0]=3 1979 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [0,2,0,0,0,0|1,0,0]=3 1980 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [0,2,0,0,0,0|1,1,0]=4 1981 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [0,2,0,0,0,0|1,1,0]=4 1982 B7R0.4 CC(C)CCOCF 34a_100000210254_100015361967 [0,2,0,0,0,0|1,0,0]=3 1983 B7R0.4 CC(C)CCOCF 7a_100000210254_100015361967 [0,2,0,0,0,0|1,0,0]=3 1984 B7R0.4 CC(C)CCSCF 62a_100000210312_100015361967 [0,2,0,0,0,0|1,1,0]=4 1985 B7R0.4 CC(C)CCSCF 62a_100015361967_100000210312 [0,2,0,0,0,0|1,1,0]=4 1986 B7R0.4 CC(C)NCCO[13CH3] 34a_100000224655_200025704644 [0,2,0,0,0,0|1,0,0]=3 1987 B7R0.4 CC(C)OCCCBr 34a_100011217188_100000210206 [0,2,0,0,0,0|2,0,0]=4 1988 B7R0.4 CC(C)OCCCCl 34a_100000230001_100000210206 [0,2,0,0,0,0|2,0,0]=4 1989 B7R0.4 CC(C)OCCCF 34a_100000212225_100011934791 [0,2,0,0,0,0|2,0,0]=4 1990 B7R0.4 CC(C)OCCCF 34a_100000759539_100000210206 [0,2,0,0,0,0|2,0,0]=4 1991 B7R0.4 CC(C)OCCCN 34a_100000182051_100000210206 [0,2,0,0,0,0|2,0,0]=4 1992 B7R0.4 CC(C)OCCCO 34a_100000212225_100000230001 [0,2,0,0,0,0|2,0,0]=4 1993 B7R0.4 CC(C)OCCN[13CH3] 2230a_100000701111_200025704644 [0,2,0,0,0,0|1,0,0]=3 1994 B7R0.4 CC(C)OCCN[13CH3] 34a_100000701111_200025704644 [0,2,0,0,0,0|1,0,0]=3 1995 B7R0.4 CC(C)OCCON 34a_100000700252_100000210206 [0,2,0,0,0,0|1,0,0]=3 1996 B7R0.4 CC(C)OCCO[13CH3] 34a_100000211219_200025704644 [0,2,0,0,0,0|0,0,0]=2 1997 B7R0.4 CC(C)OCCO[13CH3] 7a_100000211219_200025704644 [0,2,0,0,0,0|0,0,0]=2 1998 B7R0.4 CC(C)OCCS[13CH3] 62a_100000211751_200025704644 [0,2,0,0,0,0|0,1,0]=3 1999 B7R0.4 CC(C)OCCS[13CH3] 62a_200025704644_100000211751 [0,2,0,0,0,0|0,1,0]=3 2000 B7R0.4 CC(C)SCCN[13CH3] 2230a_100000731138_200025704644 [0,2,0,0,0,0|1,1,0]=4 2001 B7R0.4 CC(C)SCCN[13CH3] 34a_100000731138_200025704644 [0,2,0,0,0,0|1,1,0]=4 2002 B7R0.4 CC(C)SCCO[13CH3] 34a_200011212901_200025704644 [0,2,0,0,0,0|0,1,0]=3 2003 B7R0.4 CC(C)SCCO[13CH3] 7a_200011212901_200025704644 [0,2,0,0,0,0|0,1,0]=3 2004 B7R0.4 CC(C)SCCS[13CH3] 62a_100000730970_200025704644 [0,2,0,0,0,0|0,2,0]=4 2005 B7R0.4 CC(C)SCCS[13CH3] 62a_200025704644_100000730970 [0,2,0,0,0,0|0,2,0]=4 2006 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [0,2,0,0,0,0|1,1,0]=4 2007 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [0,2,0,0,0,0|1,1,0]=4 2008 B7R0.4 CC(O)CCSCF 62a_100012276601_100015361967 [0,2,0,0,0,0|1,1,0]=4 2009 B7R0.4 CC(O)CCSCF 62a_100015361967_100012276601 [0,2,0,0,0,0|1,1,0]=4 2010 B7R0.4 CC=CCOC(C)C 34a_100000212225_100000070051 [0,2,0,0,0,0|1,0,1]=4 2011 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [0,2,0,0,0,0|2,0,0]=4 2012 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [0,2,0,0,0,0|2,0,0]=4 2013 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [0,2,0,0,0,0|2,0,0]=4 2014 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [0,2,0,0,0,0|2,0,0]=4 2015 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [0,2,0,0,0,0|2,0,0]=4 2016 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [0,2,0,0,0,0|2,0,0]=4 2017 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [0,2,0,0,0,0|2,0,0]=4 2018 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [0,2,0,0,0,0|2,0,0]=4 2019 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [0,2,0,0,0,0|2,0,0]=4 2020 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [0,2,0,0,0,0|2,0,0]=4 2021 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [0,2,0,0,0,0|2,0,0]=4 2022 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [0,2,0,0,0,0|2,0,0]=4 2023 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [0,2,0,0,0,0|2,0,0]=4 2024 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [0,2,0,0,0,0|2,0,0]=4 2025 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [0,2,0,0,0,0|2,0,0]=4 2026 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [0,2,0,0,0,0|2,0,0]=4 2027 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [0,2,0,0,0,0|2,0,0]=4 2028 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [0,2,0,0,0,0|1,0,0]=3 2029 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [0,2,0,0,0,0|1,0,0]=3 2030 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [0,2,0,0,0,0|1,0,0]=3 2031 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [0,2,0,0,0,0|1,1,0]=4 2032 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [0,2,0,0,0,0|1,1,0]=4 2033 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [0,2,0,0,0,0|2,0,0]=4 2034 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [0,2,0,0,0,0|2,0,0]=4 2035 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [0,2,0,0,0,0|2,0,0]=4 2036 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [0,2,0,0,0,0|2,0,0]=4 2037 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [0,2,0,0,0,0|2,0,0]=4 2038 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [0,2,0,0,0,0|2,0,0]=4 2039 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [0,2,0,0,0,0|2,0,0]=4 2040 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [0,2,0,0,0,0|2,0,0]=4 2041 B7R0.4 CCCOCC(C)Br 34a_100012180447_100000210303 [0,2,0,0,0,0|2,0,0]=4 2042 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [0,2,0,0,0,0|2,0,0]=4 2043 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [0,2,0,0,0,0|2,0,0]=4 2044 B7R0.4 CCCOCC(C)F 34a_100015925927_100000210303 [0,2,0,0,0,0|2,0,0]=4 2045 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [0,2,0,0,0,0|2,0,0]=4 2046 B7R0.4 CCCOC[C@@H](C)Cl 34a_100016084084_100000210303 [0,2,0,0,0,0|2,0,0]=4 2047 B7R0.4 CCCOC[C@@H](C)N 34a_100000737577_100000210303 [0,2,0,0,0,0|2,0,0]=4 2048 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [0,2,0,0,0,0|2,0,0]=4 2049 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [0,2,0,0,0,0|2,0,0]=4 2050 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [0,2,0,0,0,0|2,0,0]=4 2051 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [0,2,0,0,0,0|2,0,0]=4 2052 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [0,2,0,0,0,0|2,0,0]=4 2053 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [0,2,0,0,0,0|2,0,0]=4 2054 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [0,2,0,0,0,0|2,0,0]=4 2055 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [0,2,0,0,0,0|2,0,0]=4 2056 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [0,2,0,0,0,0|2,0,0]=4 2057 B7R0.4 CCNCCC(C)C 2230a_100015525214_100000210312 [0,2,0,0,0,0|2,0,0]=4 2058 B7R0.4 CCNCCC(C)C 269862a_100015525214_100000185833 [0,2,0,0,0,0|2,0,0]=4 2059 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [0,2,0,0,0,0|2,0,0]=4 2060 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [0,2,0,0,0,0|2,0,0]=4 2061 B7R0.4 CCNCOC(C)C 2230a_100015525214_100000709892 [0,2,0,0,0,0|2,0,0]=4 2062 B7R0.4 CCOCC=C(C)C 34a_100000753907_100000210202 [0,2,0,0,0,0|1,0,1]=4 2063 B7R0.4 CCOCC=C(C)C 34a_100121572206_100000761012 [0,2,0,0,0,0|1,0,1]=4 2064 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [0,2,0,0,0,0|1,0,0]=3 2065 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [0,2,0,0,0,0|1,0,0]=3 2066 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [0,2,0,0,0,0|1,0,0]=3 2067 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [0,2,0,0,0,0|1,0,0]=3 2068 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [0,2,0,0,0,0|2,0,0]=4 2069 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [0,2,0,0,0,0|2,0,0]=4 2070 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [0,2,0,0,0,0|2,0,0]=4 2071 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [0,2,0,0,0,0|1,0,0]=3 2072 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [0,2,0,0,0,0|1,0,0]=3 2073 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [0,2,0,0,0,0|1,0,0]=3 2074 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [0,2,0,0,0,0|1,0,0]=3 2075 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [0,2,0,0,0,0|1,0,0]=3 2076 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [0,2,0,0,0,0|1,0,0]=3 2077 B7R0.4 CCOCCC(F)F 34a_100103093639_100000210202 [0,2,0,0,0,0|2,0,0]=4 2078 B7R0.4 CCOCCN(C)C 2230a_100102631434_100011215890 [0,2,0,0,0,0|1,0,0]=3 2079 B7R0.4 CCOCCN(C)C 269982a_100102631434_100011215890 [0,2,0,0,0,0|1,0,0]=3 2080 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [0,2,0,0,0,0|1,0,0]=3 2081 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [0,2,0,0,0,0|2,0,0]=4 2082 B7R0.4 CCOCOC(C)C 34a_100121572206_100000709892 [0,2,0,0,0,0|2,0,0]=4 2083 B7R0.4 CCOCSC(C)C 62a_100000210206_100000739092 [0,2,0,0,0,0|2,0,0]=4 2084 B7R0.4 CCOCSC(C)C 62a_100000739092_100000210206 [0,2,0,0,0,0|2,0,0]=4 2085 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [0,2,0,0,0,0|1,1,0]=4 2086 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [0,2,0,0,0,0|1,1,0]=4 2087 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [0,2,0,0,0,0|1,1,0]=4 2088 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [0,2,0,0,0,0|1,1,0]=4 2089 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [0,2,0,0,0,0|1,1,0]=4 2090 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [0,2,0,0,0,0|1,1,0]=4 2091 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [0,2,0,0,0,0|1,1,0]=4 2092 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [0,2,0,0,0,0|1,1,0]=4 2093 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [0,2,0,0,0,0|1,1,0]=4 2094 B7R0.4 CCSCCN(C)C 2230a_100102631434_100000757381 [0,2,0,0,0,0|1,1,0]=4 2095 B7R0.4 CCSCCN(C)C 269982a_100102631434_100000757381 [0,2,0,0,0,0|1,1,0]=4 2096 B7R0.4 CCSCCN(C)C 62a_100000210202_100000755713 [0,2,0,0,0,0|1,1,0]=4 2097 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [0,2,0,0,0,0|2,0,0]=4 2098 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [0,2,0,0,0,0|2,0,0]=4 2099 B7R0.4 CCSCOC(C)C 62a_100000210202_100000709892 [0,2,0,0,0,0|2,0,0]=4 2100 B7R0.4 CCSCOC(C)C 62a_100000709892_100000210202 [0,2,0,0,0,0|2,0,0]=4 2101 B7R0.4 CN(C)CCCCF 2230a_100102631434_100000729493 [0,2,0,0,0,0|2,0,0]=4 2102 B7R0.4 CN(C)CCCCF 269982a_100102631434_100000729493 [0,2,0,0,0,0|2,0,0]=4 2103 B7R0.4 CN(C)CCCCO 2230a_100000717598_200000210301 [0,2,0,0,0,0|2,0,0]=4 2104 B7R0.4 CN(C)CCCCO 2230a_100102631434_100000210776 [0,2,0,0,0,0|2,0,0]=4 2105 B7R0.4 CN(C)CCCCO 269982a_100000717598_200000210301 [0,2,0,0,0,0|2,0,0]=4 2106 B7R0.4 CN(C)CCCCO 269982a_100102631434_100000210776 [0,2,0,0,0,0|2,0,0]=4 2107 B7R0.4 CN(C)CCCS[13CH3] 62a_200025704644_100000757444 [0,2,0,0,0,0|1,1,0]=4 2108 B7R0.4 CN(C)CCSCF 62a_100015361967_100000755713 [0,2,0,0,0,0|1,1,0]=4 2109 B7R0.4 CN([13CH3])CCCCO 2230a_100000717598_200025704644 [0,2,0,0,0,0|2,0,0]=4 2110 B7R0.4 CN([13CH3])CCCCO 269982a_100000717598_200025704644 [0,2,0,0,0,0|2,0,0]=4 2111 B7R0.4 CNCCC=C(C)C 2230a_106832991635_100011217483 [0,2,0,0,0,0|2,0,0]=4 2112 B7R0.4 CNCCC=C(C)C 34a_100102657272_100011217483 [0,2,0,0,0,0|2,0,0]=4 2113 B7R0.4 CNCCC=C(C)C 7a_106832991635_100011217483 [0,2,0,0,0,0|2,0,0]=4 2114 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [0,2,0,0,0,0|2,0,0]=4 2115 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [0,2,0,0,0,0|2,0,0]=4 2116 B7R0.4 CNCCCC(C)C 2230a_106832991635_100011214892 [0,2,0,0,0,0|2,0,0]=4 2117 B7R0.4 CNCCCC(C)C 2230a_200000737386_200000210301 [0,2,0,0,0,0|2,0,0]=4 2118 B7R0.4 CNCCCC(C)C 34a_100102657272_100011214892 [0,2,0,0,0,0|2,0,0]=4 2119 B7R0.4 CNCCCC(C)C 34a_200000737386_200000210301 [0,2,0,0,0,0|2,0,0]=4 2120 B7R0.4 CNCCCC(C)C 7a_106832991635_100011214892 [0,2,0,0,0,0|2,0,0]=4 2121 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [0,2,0,0,0,0|2,0,0]=4 2122 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [0,2,0,0,0,0|2,0,0]=4 2123 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [0,2,0,0,0,0|2,0,0]=4 2124 B7R0.4 CNCCCN(C)C 7a_106832991635_100000757444 [0,2,0,0,0,0|2,0,0]=4 2125 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [0,2,0,0,0,0|1,1,0]=4 2126 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [0,2,0,0,0,0|2,0,0]=4 2127 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [0,2,0,0,0,0|2,0,0]=4 2128 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [0,2,0,0,0,0|2,0,0]=4 2129 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [0,2,0,0,0,0|1,0,0]=3 2130 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [0,2,0,0,0,0|1,0,0]=3 2131 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [0,2,0,0,0,0|1,0,1]=4 2132 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [0,2,0,0,0,0|1,0,1]=4 2133 B7R0.4 CNCCOC(C)C 2230a_100000701111_200000210301 [0,2,0,0,0,0|1,0,0]=3 2134 B7R0.4 CNCCOC(C)C 2230a_106832991635_100000211751 [0,2,0,0,0,0|1,0,0]=3 2135 B7R0.4 CNCCOC(C)C 34a_100000701111_200000210301 [0,2,0,0,0,0|1,0,0]=3 2136 B7R0.4 CNCCOC(C)C 34a_100102657272_100000211751 [0,2,0,0,0,0|1,0,0]=3 2137 B7R0.4 CNCCOC(C)C 7a_106832991635_100000211751 [0,2,0,0,0,0|1,0,0]=3 2138 B7R0.4 CNCCSC(C)C 2230a_100000731138_200000210301 [0,2,0,0,0,0|1,1,0]=4 2139 B7R0.4 CNCCSC(C)C 2230a_106832991635_100000730970 [0,2,0,0,0,0|1,1,0]=4 2140 B7R0.4 CNCCSC(C)C 34a_100000731138_200000210301 [0,2,0,0,0,0|1,1,0]=4 2141 B7R0.4 CNCCSC(C)C 34a_100102657272_100000730970 [0,2,0,0,0,0|1,1,0]=4 2142 B7R0.4 CNCCSC(C)C 7a_106832991635_100000730970 [0,2,0,0,0,0|1,1,0]=4 2143 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [0,2,0,0,0,0|1,0,1]=4 2144 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [0,2,0,0,0,0|1,0,1]=4 2145 B7R0.4 COCCC=C(C)C 34a_100138415774_100011217483 [0,2,0,0,0,0|1,0,0]=3 2146 B7R0.4 COCCC=C(F)F 34a_100138415774_200009816681 [0,2,0,0,0,0|1,0,1]=4 2147 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [0,2,0,0,0,0|1,0,0]=3 2148 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [0,2,0,0,0,0|1,0,0]=3 2149 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [0,2,0,0,0,0|1,0,0]=3 2150 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [0,2,0,0,0,0|1,0,0]=3 2151 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [0,2,0,0,0,0|1,0,0]=3 2152 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [0,2,0,0,0,0|1,0,1]=4 2153 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [0,2,0,0,0,0|1,0,0]=3 2154 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [0,2,0,0,0,0|1,0,0]=3 2155 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [0,2,0,0,0,0|1,0,0]=3 2156 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [0,2,0,0,0,0|1,0,0]=3 2157 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [0,2,0,0,0,0|1,0,0]=3 2158 B7R0.4 COCCCN(C)C 2230a_100000224831_200000210301 [0,2,0,0,0,0|1,0,0]=3 2159 B7R0.4 COCCCN(C)C 2230a_100102631434_100000740836 [0,2,0,0,0,0|1,0,0]=3 2160 B7R0.4 COCCCN(C)C 269982a_100000224831_200000210301 [0,2,0,0,0,0|1,0,0]=3 2161 B7R0.4 COCCCN(C)C 269982a_100102631434_100000740836 [0,2,0,0,0,0|1,0,0]=3 2162 B7R0.4 COCCCN(C)[13CH3] 2230a_100000224831_200025704644 [0,2,0,0,0,0|1,0,0]=3 2163 B7R0.4 COCCCN(C)[13CH3] 269982a_100000224831_200025704644 [0,2,0,0,0,0|1,0,0]=3 2164 B7R0.4 COCCC[N+](=O)[O-] 34a_200000037920_200000210301 [0,2,0,0,0,0|2,0,0]=4 2165 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [0,2,0,0,0,0|1,0,0]=3 2166 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [0,2,0,0,0,0|1,0,0]=3 2167 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [0,2,0,0,0,0|1,0,0]=3 2168 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [0,2,0,0,0,0|1,0,0]=3 2169 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [0,2,0,0,0,0|1,0,1]=4 2170 B7R0.4 COCCNC(C)C 2230a_100000209980_100000210206 [0,2,0,0,0,0|1,0,0]=3 2171 B7R0.4 COCCNC(C)C 2230a_100138425928_100011201679 [0,2,0,0,0,0|1,0,0]=3 2172 B7R0.4 COCCNC(C)C 34a_100000224655_200000210301 [0,2,0,0,0,0|1,0,0]=3 2173 B7R0.4 COCCNC(C)C 34a_100138425928_100011201679 [0,2,0,0,0,0|1,0,0]=3 2174 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [0,2,0,0,0,0|0,0,0]=2 2175 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [0,2,0,0,0,0|0,0,1]=3 2176 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [0,2,0,0,0,0|0,0,1]=3 2177 B7R0.4 COCCOC(C)C 34a_100000210237_100000210206 [0,2,0,0,0,0|0,0,0]=2 2178 B7R0.4 COCCOC(C)C 34a_100000211219_200000210301 [0,2,0,0,0,0|0,0,0]=2 2179 B7R0.4 COCCOC(C)C 34a_100000212225_100011201679 [0,2,0,0,0,0|0,0,0]=2 2180 B7R0.4 COCCOC(C)C 34a_100138415774_100000211751 [0,2,0,0,0,0|0,0,0]=2 2181 B7R0.4 COCCOC(C)C 7a_100000211219_200000210301 [0,2,0,0,0,0|0,0,0]=2 2182 B7R0.4 COCCSC(C)C 34a_100138415774_100000730970 [0,2,0,0,0,0|0,1,0]=3 2183 B7R0.4 COCCSC(C)C 34a_200011212901_200000210301 [0,2,0,0,0,0|0,1,0]=3 2184 B7R0.4 COCCSC(C)C 62a_100000210206_100000233755 [0,2,0,0,0,0|0,1,0]=3 2185 B7R0.4 COCCSC(C)C 62a_100000233755_100000210206 [0,2,0,0,0,0|0,1,0]=3 2186 B7R0.4 COCCSC(C)C 7a_200011212901_200000210301 [0,2,0,0,0,0|0,1,0]=3 2187 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [0,2,0,0,0,0|2,0,0]=4 2188 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [0,2,0,0,0,0|2,0,0]=4 2189 B7R0.4 COCNCC(C)C 2230a_100000210953_100000766300 [0,2,0,0,0,0|1,0,0]=3 2190 B7R0.4 COCNCC(C)O 2230a_100000210904_100000766300 [0,2,0,0,0,0|1,0,0]=3 2191 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [0,2,0,0,0,0|2,0,0]=4 2192 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [0,2,0,0,0,0|2,0,0]=4 2193 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [0,2,0,0,0,0|2,0,0]=4 2194 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [0,2,0,0,0,0|2,0,0]=4 2195 B7R0.4 COCSCC(C)C 62a_100000210624_100000766300 [0,2,0,0,0,0|1,0,0]=3 2196 B7R0.4 COCSCC(C)C 62a_100000766300_100000210760 [0,2,0,0,0,0|1,0,0]=3 2197 B7R0.4 COCSCC(C)O 62a_100000766300_100011218427 [0,2,0,0,0,0|1,0,0]=3 2198 B7R0.4 COCSCC(C)O 62a_100011218427_100000766300 [0,2,0,0,0,0|1,0,0]=3 2199 B7R0.4 COCSCC(F)F 62a_100000766300_100011934356 [0,2,0,0,0,0|2,0,0]=4 2200 B7R0.4 COCSCC(F)F 62a_100011934356_100000766300 [0,2,0,0,0,0|2,0,0]=4 2201 B7R0.4 COCSC[C@@H](C)O 62a_100000766300_100009817552 [0,2,0,0,0,0|1,0,0]=3 2202 B7R0.4 COCSC[C@@H](C)O 62a_100009817552_100000766300 [0,2,0,0,0,0|1,0,0]=3 2203 B7R0.4 COCSC[N+](=O)[O-] 62a_100000766300_100000761209 [0,2,0,0,0,0|2,0,0]=4 2204 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [0,2,0,0,0,0|1,1,0]=4 2205 B7R0.4 CSCCC=C(C)C 62a_100011217483_200000210301 [0,2,0,0,0,0|1,1,0]=4 2206 B7R0.4 CSCCC=C(C)C 62a_200000210301_100011217483 [0,2,0,0,0,0|1,1,0]=4 2207 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [0,2,0,0,0,0|1,1,0]=4 2208 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [0,2,0,0,0,0|1,1,0]=4 2209 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [0,2,0,0,0,0|1,1,0]=4 2210 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [0,2,0,0,0,0|1,1,0]=4 2211 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [0,2,0,0,0,0|1,1,0]=4 2212 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [0,2,0,0,0,0|1,1,0]=4 2213 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [0,2,0,0,0,0|1,1,0]=4 2214 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [0,2,0,0,0,0|1,1,0]=4 2215 B7R0.4 CSCCCN(C)C 62a_200000210301_100000757444 [0,2,0,0,0,0|1,1,0]=4 2216 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [0,2,0,0,0,0|1,1,0]=4 2217 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [0,2,0,0,0,0|1,1,0]=4 2218 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [0,2,0,0,0,0|1,1,0]=4 2219 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [0,2,0,0,0,0|1,1,0]=4 2220 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [0,2,0,0,0,0|1,1,0]=4 2221 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [0,2,0,0,0,0|1,1,0]=4 2222 B7R0.4 CSCCNC(C)C 2230a_100020590264_100000210206 [0,2,0,0,0,0|1,1,0]=4 2223 B7R0.4 CSCCNC(C)C 2230a_100138425928_100000751147 [0,2,0,0,0,0|1,1,0]=4 2224 B7R0.4 CSCCNC(C)C 34a_100138425928_100000212216 [0,2,0,0,0,0|1,1,0]=4 2225 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [0,2,0,0,0,0|0,1,0]=3 2226 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [0,2,0,0,0,0|0,1,0]=3 2227 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [0,2,0,0,0,0|0,1,1]=4 2228 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [0,2,0,0,0,0|0,1,1]=4 2229 B7R0.4 CSCCOC(C)C 34a_100000212225_100000212216 [0,2,0,0,0,0|0,1,0]=3 2230 B7R0.4 CSCCOC(C)C 34a_100000230434_100000210206 [0,2,0,0,0,0|0,1,0]=3 2231 B7R0.4 CSCCOC(C)C 62a_100000211751_200000210301 [0,2,0,0,0,0|0,1,0]=3 2232 B7R0.4 CSCCOC(C)C 62a_200000210301_100000211751 [0,2,0,0,0,0|0,1,0]=3 2233 B7R0.4 CSCCOC(C)C 7a_100000230434_100000210206 [0,2,0,0,0,0|0,1,0]=3 2234 B7R0.4 CSCCSC(C)C 62a_100000210206_100000751147 [0,2,0,0,0,0|0,2,0]=4 2235 B7R0.4 CSCCSC(C)C 62a_100000212216_100000210206 [0,2,0,0,0,0|0,2,0]=4 2236 B7R0.4 CSCCSC(C)C 62a_100000730970_200000210301 [0,2,0,0,0,0|0,2,0]=4 2237 B7R0.4 CSCCSC(C)C 62a_200000210301_100000730970 [0,2,0,0,0,0|0,2,0]=4 2238 B7R0.4 CSCNCC(C)C 2230a_100000210953_100011218213 [0,2,0,0,0,0|1,1,0]=4 2239 B7R0.4 CSCNCC(C)C 34a_100000210953_100011218213 [0,2,0,0,0,0|1,1,0]=4 2240 B7R0.4 CSCNCC(C)O 2230a_100000210904_100011218213 [0,2,0,0,0,0|1,1,0]=4 2241 B7R0.4 CSCNCC(C)O 34a_100000210904_100011218213 [0,2,0,0,0,0|1,1,0]=4 2242 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [0,2,0,0,0,0|1,1,0]=4 2243 B7R0.4 CSCOCC(C)Br 34a_100012180447_100011218213 [0,2,0,0,0,0|1,1,0]=4 2244 B7R0.4 CSCOCC(C)C 34a_100000210257_100011218213 [0,2,0,0,0,0|1,1,0]=4 2245 B7R0.4 CSCOCC(C)F 34a_100015925927_100011218213 [0,2,0,0,0,0|1,1,0]=4 2246 B7R0.4 CSCOC[C@@H](C)Cl 34a_100016084084_100011218213 [0,2,0,0,0,0|1,1,0]=4 2247 B7R0.4 CSCOC[C@@H](C)N 34a_100000737577_100011218213 [0,2,0,0,0,0|1,1,0]=4 2248 B7R0.4 CSCSCC(C)C 62a_100000210624_100011218213 [0,2,0,0,0,0|1,1,0]=4 2249 B7R0.4 CSCSCC(C)C 62a_100011218213_100000210760 [0,2,0,0,0,0|1,1,0]=4 2250 B7R0.4 CSCSCC(C)O 62a_100011218213_100011218427 [0,2,0,0,0,0|1,1,0]=4 2251 B7R0.4 CSCSCC(C)O 62a_100011218427_100011218213 [0,2,0,0,0,0|1,1,0]=4 2252 B7R0.4 CSCSC[C@@H](C)O 62a_100009817552_100011218213 [0,2,0,0,0,0|1,1,0]=4 2253 B7R0.4 CSCSC[C@@H](C)O 62a_100011218213_100009817552 [0,2,0,0,0,0|1,1,0]=4 2254 B7R0.4 C[C@@H](N)CCOCF 34a_100000706166_100015361967 [0,2,0,0,0,0|1,0,0]=3 2255 B7R0.4 FCOCCC(F)F 34a_100103093639_100015361967 [0,2,0,0,0,0|2,0,0]=4 2256 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [0,2,0,0,0,0|2,0,0]=4 2257 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [0,2,0,0,0,0|2,0,0]=4 2258 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [0,2,0,0,0,0|2,0,0]=4 2259 B7R0.4 [13CH3]OCCC[N+](=O)[O-] 34a_200000037920_200025704644 [0,2,0,0,0,0|2,0,0]=4 2260 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [0,2,0,0,0,0|1,0,1]=4 2261 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [0,2,0,0,0,0|0,0,1]=3 2262 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [0,2,0,0,0,0|0,1,1]=4 2263 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [0,2,0,0,0,0|0,1,1]=4 2264 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [0,2,0,0,0,0|2,0,0]=4 2265 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [0,2,0,0,0,0|2,0,0]=4 2266 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [0,2,0,0,0,0|2,0,0]=4 2267 B7R0.6 C=C(C)CCN(C)C 2230a_100102631434_100000730704 [0,2,0,0,0,0|2,0,0]=4 2268 B7R0.6 C=C(C)CCN(C)C 269982a_100102631434_100000730704 [0,2,0,0,0,0|2,0,0]=4 2269 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [0,2,0,0,0,0|2,0,0]=4 2270 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [0,2,0,0,0,0|2,0,0]=4 2271 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [0,2,0,0,0,0|2,0,0]=4 2272 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [0,2,0,0,0,0|2,0,0]=4 2273 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [0,2,0,0,0,0|1,1,0]=4 2274 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [0,2,0,0,0,0|2,0,0]=4 2275 B7R0.6 CC(C)CCN(C)C 2230a_100000742789_200000210301 [0,2,0,0,0,0|2,0,0]=4 2276 B7R0.6 CC(C)CCN(C)C 2230a_100102631434_100000210312 [0,2,0,0,0,0|2,0,0]=4 2277 B7R0.6 CC(C)CCN(C)C 269982a_100000742789_200000210301 [0,2,0,0,0,0|2,0,0]=4 2278 B7R0.6 CC(C)CCN(C)C 269982a_100102631434_100000210312 [0,2,0,0,0,0|2,0,0]=4 2279 B7R0.6 CC(C)CCN(C)[13CH3] 2230a_100000742789_200025704644 [0,2,0,0,0,0|2,0,0]=4 2280 B7R0.6 CC(C)CCN(C)[13CH3] 269982a_100000742789_200025704644 [0,2,0,0,0,0|2,0,0]=4 2281 B7R0.6 CC(O)CCN(C)C 2230a_100102631434_100012276601 [0,2,0,0,0,0|2,0,0]=4 2282 B7R0.6 CC(O)CCN(C)C 269982a_100102631434_100012276601 [0,2,0,0,0,0|2,0,0]=4 2283 B7R0.6 CN(C)CCN(C)C 269982a_100000225618_200000210301 [0,2,0,0,0,0|2,0,0]=4 2284 B7R0.6 CN(C)CCN(C)C 269982a_100102631434_100000755713 [0,2,0,0,0,0|2,0,0]=4 2285 B7R0.6 CN(C)CCN(C)[13CH3] 269982a_100000225618_200025704644 [0,2,0,0,0,0|2,0,0]=4 2286 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [0,2,0,0,0,0|1,1,0]=4 2287 B7R0.8 CC(C)(C)CCN[13CH3] 2230a_100000738805_200025704644 [0,2,0,0,0,0|2,0,0]=4 2288 B7R0.8 CC(C)(C)CCO[13CH3] 7a_100000765024_200025704644 [0,2,0,0,0,0|1,0,0]=3 2289 B7R0.8 CC(C)(C)CCS[13CH3] 62a_100000755188_200025704644 [0,2,0,0,0,0|1,1,0]=4 2290 B7R0.8 CC(C)(C)CCS[13CH3] 62a_200025704644_100000755188 [0,2,0,0,0,0|1,1,0]=4 2291 B7R0.8 CC(C)(F)CCN[13CH3] 2230a_100016253952_200025704644 [0,2,0,0,0,0|2,0,0]=4 2292 B7R0.8 CC(C)(O)CCS[13CH3] 62a_100000702414_200025704644 [0,2,0,0,0,0|1,1,0]=4 2293 B7R0.8 CC(C)(O)CCS[13CH3] 62a_200025704644_100000702414 [0,2,0,0,0,0|1,1,0]=4 2294 B7R0.8 CNCCC(C)(C)C 2230a_100000738805_200000210301 [0,2,0,0,0,0|2,0,0]=4 2295 B7R0.8 CNCCC(C)(C)C 2230a_106832991635_100000755188 [0,2,0,0,0,0|2,0,0]=4 2296 B7R0.8 CNCCC(C)(C)C 34a_100102657272_100000755188 [0,2,0,0,0,0|2,0,0]=4 2297 B7R0.8 CNCCC(C)(C)C 7a_106832991635_100000755188 [0,2,0,0,0,0|2,0,0]=4 2298 B7R0.8 CNCCC(C)(C)F 2230a_100016253952_200000210301 [0,2,0,0,0,0|2,0,0]=4 2299 B7R0.8 CNCCC(C)(C)O 2230a_106832991635_100000702414 [0,2,0,0,0,0|2,0,0]=4 2300 B7R0.8 CNCCC(C)(C)O 34a_100102657272_100000702414 [0,2,0,0,0,0|2,0,0]=4 2301 B7R0.8 CNCCC(C)(C)O 7a_106832991635_100000702414 [0,2,0,0,0,0|2,0,0]=4 2302 B7R0.8 CNCCS(=O)(=O)C 2230a_100000740961_200000210301 [0,2,0,0,0,0|1,1,0]=4 2303 B7R0.8 CNCCS(=O)(=O)C 2230a_106832991635_100000731031 [0,2,0,0,0,0|1,1,0]=4 2304 B7R0.8 CNCCS(=O)(=O)C 34a_100000740961_200000210301 [0,2,0,0,0,0|1,1,0]=4 2305 B7R0.8 CNCCS(=O)(=O)C 34a_100102657272_100000731031 [0,2,0,0,0,0|1,1,0]=4 2306 B7R0.8 CNCCS(=O)(=O)C 7a_106832991635_100000230027 [0,2,0,0,0,0|1,1,0]=4 2307 B7R0.8 CNCC[N+](C)(C)C 34a_100102657272_100000085578 [0,2,0,0,0,0|2,0,0]=4 2308 B7R0.8 CNCC[N+](C)(C)C 7a_106832991635_100000085578 [0,2,0,0,0,0|2,0,0]=4 2309 B7R0.8 CNCC[Si](C)(C)C 2230a_106832991635_200000733723 [0,2,0,0,0,0|2,0,0]=4 2310 B7R0.8 CNCC[Si](C)(C)C 34a_100102657272_200000733723 [0,2,0,0,0,0|2,0,0]=4 2311 B7R0.8 CNCC[Si](C)(C)C 7a_106832991635_200000733723 [0,2,0,0,0,0|2,0,0]=4 2312 B7R0.8 COCCC(C)(C)C 34a_100138415774_100000755188 [0,2,0,0,0,0|1,0,0]=3 2313 B7R0.8 COCCC(C)(C)C 7a_100000765024_200000210301 [0,2,0,0,0,0|1,0,0]=3 2314 B7R0.8 COCCC(C)(C)O 34a_100138415774_100000702414 [0,2,0,0,0,0|1,0,0]=3 2315 B7R0.8 COCCC(F)(F)F 34a_100000752437_200000210301 [0,2,0,0,0,0|2,0,0]=4 2316 B7R0.8 COCCC(F)(F)F 34a_100138415774_100011219754 [0,2,0,0,0,0|2,0,0]=4 2317 B7R0.8 COCCS(=O)(=O)C 34a_100000211924_200000210301 [0,2,0,0,0,0|0,1,0]=3 2318 B7R0.8 COCCS(=O)(=O)C 34a_100138415774_100000731031 [0,2,0,0,0,0|0,1,0]=3 2319 B7R0.8 COCCS(=O)(=O)C 7a_100000211924_200000210301 [0,2,0,0,0,0|0,1,0]=3 2320 B7R0.8 COCCS(=O)(=O)N 34a_100012334274_200000210301 [0,2,0,0,0,0|1,1,0]=4 2321 B7R0.8 COCCS(=O)(=O)[O-] 34a_100138415774_100000762736 [0,2,0,0,0,0|1,1,0]=4 2322 B7R0.8 COCC[N+](C)(C)C 34a_100138415774_100000085578 [0,2,0,0,0,0|1,0,0]=3 2323 B7R0.8 COCC[N+](C)(C)C 7a_200020618287_200000210301 [0,2,0,0,0,0|1,0,0]=3 2324 B7R0.8 COCC[Si](C)(C)C 34a_100138415774_200000733723 [0,2,0,0,0,0|1,0,0]=3 2325 B7R0.8 COCC[Si](C)(C)C 7a_100000039746_200000210301 [0,2,0,0,0,0|1,0,0]=3 2326 B7R0.8 COCNC(C)(C)C 2230a_100000715429_100000766300 [0,2,0,0,0,0|2,0,0]=4 2327 B7R0.8 COCSC(C)(C)C 62a_100000211941_100000766300 [0,2,0,0,0,0|2,0,0]=4 2328 B7R0.8 COCSC(C)(C)C 62a_100000766300_100000211941 [0,2,0,0,0,0|2,0,0]=4 2329 B7R0.8 CS(=O)(=O)CCN[13CH3] 2230a_100000740961_200025704644 [0,2,0,0,0,0|1,1,0]=4 2330 B7R0.8 CS(=O)(=O)CCN[13CH3] 34a_100000740961_200025704644 [0,2,0,0,0,0|1,1,0]=4 2331 B7R0.8 CS(=O)(=O)CCO[13CH3] 34a_100000211924_200025704644 [0,2,0,0,0,0|0,1,0]=3 2332 B7R0.8 CS(=O)(=O)CCO[13CH3] 7a_100000211924_200025704644 [0,2,0,0,0,0|0,1,0]=3 2333 B7R0.8 CS(=O)(=O)CCS[13CH3] 62a_100000731031_200025704644 [0,2,0,0,0,0|0,2,0]=4 2334 B7R0.8 CS(=O)(=O)CCS[13CH3] 62a_200025704644_100000230027 [0,2,0,0,0,0|0,2,0]=4 2335 B7R0.8 CSCCC(C)(C)C 62a_100000755188_200000210301 [0,2,0,0,0,0|1,1,0]=4 2336 B7R0.8 CSCCC(C)(C)C 62a_200000210301_100000755188 [0,2,0,0,0,0|1,1,0]=4 2337 B7R0.8 CSCCC(C)(C)O 62a_100000702414_200000210301 [0,2,0,0,0,0|1,1,0]=4 2338 B7R0.8 CSCCC(C)(C)O 62a_200000210301_100000702414 [0,2,0,0,0,0|1,1,0]=4 2339 B7R0.8 CSCCS(=O)(=O)C 62a_100000731031_200000210301 [0,2,0,0,0,0|0,2,0]=4 2340 B7R0.8 CSCCS(=O)(=O)C 62a_200000210301_100000230027 [0,2,0,0,0,0|0,2,0]=4 2341 B7R0.8 CSCC[N+](C)(C)C 62a_100000085578_200000210301 [0,2,0,0,0,0|1,1,0]=4 2342 B7R0.8 CSCC[N+](C)(C)C 62a_200000210301_100000085578 [0,2,0,0,0,0|1,1,0]=4 2343 B7R0.8 CSCC[Si](C)(C)C 62a_200000210301_200000733723 [0,2,0,0,0,0|1,1,0]=4 2344 B7R0.8 CSCC[Si](C)(C)C 62a_200000733723_200000210301 [0,2,0,0,0,0|1,1,0]=4 2345 B7R0.8 C[N+](C)(C)CCO[13CH3] 7a_200020618287_200025704644 [0,2,0,0,0,0|1,0,0]=3 2346 B7R0.8 C[N+](C)(C)CCS[13CH3] 62a_100000085578_200025704644 [0,2,0,0,0,0|1,1,0]=4 2347 B7R0.8 C[N+](C)(C)CCS[13CH3] 62a_200025704644_100000085578 [0,2,0,0,0,0|1,1,0]=4 2348 B7R0.8 C[Si](C)(C)CCO[13CH3] 7a_100000039746_200025704644 [0,2,0,0,0,0|1,0,0]=3 2349 B7R0.8 C[Si](C)(C)CCS[13CH3] 62a_200000733723_200025704644 [0,2,0,0,0,0|1,1,0]=4 2350 B7R0.8 C[Si](C)(C)CCS[13CH3] 62a_200025704644_200000733723 [0,2,0,0,0,0|1,1,0]=4 2351 B7R0.8 [13CH3]OCCC(F)(F)F 34a_100000752437_200025704644 [0,2,0,0,0,0|2,0,0]=4 2352 B7R0.8 [13CH3]OCCS(=O)(=O)N 34a_100012334274_200025704644 [0,2,0,0,0,0|1,1,0]=4 2353 B7R0.1 C#CCCCCNC 2230a_100000706060_200000210301 [0,2,0,0,0,0|2,0,0]=4 2354 B7R0.1 C#CCCCCNC 2230a_106832991635_100010269958 [0,2,0,0,0,0|2,0,0]=4 2355 B7R0.1 C#CCCCCNC 34a_100000706060_200000210301 [0,2,0,0,0,0|2,0,0]=4 2356 B7R0.1 C#CCCCCNC 34a_100102657272_100010269958 [0,2,0,0,0,0|2,0,0]=4 2357 B7R0.1 C#CCCCCNC 7a_106832991635_100010269958 [0,2,0,0,0,0|2,0,0]=4 2358 B7R0.1 C#CCCCCN[13CH3] 2230a_100000706060_200025704644 [0,2,0,0,0,0|2,0,0]=4 2359 B7R0.1 C#CCCCCN[13CH3] 34a_100000706060_200025704644 [0,2,0,0,0,0|2,0,0]=4 2360 B7R0.1 C#CCCCCOC 34a_100000766709_200000210301 [0,2,0,0,0,0|1,0,0]=3 2361 B7R0.1 C#CCCCCOC 34a_100138415774_100010269958 [0,2,0,0,0,0|1,0,0]=3 2362 B7R0.1 C#CCCCCOC 7a_100000766709_200000210301 [0,2,0,0,0,0|1,0,0]=3 2363 B7R0.1 C#CCCCCO[13CH3] 34a_100000766709_200025704644 [0,2,0,0,0,0|1,0,0]=3 2364 B7R0.1 C#CCCCCO[13CH3] 7a_100000766709_200025704644 [0,2,0,0,0,0|1,0,0]=3 2365 B7R0.1 C#CCCCCSC 62a_100010269958_200000210301 [0,2,0,0,0,0|1,1,0]=4 2366 B7R0.1 C#CCCCCSC 62a_200000210301_100010269958 [0,2,0,0,0,0|1,1,0]=4 2367 B7R0.1 C#CCCCCS[13CH3] 62a_100010269958_200025704644 [0,2,0,0,0,0|1,1,0]=4 2368 B7R0.1 C#CCCCCS[13CH3] 62a_200025704644_100010269958 [0,2,0,0,0,0|1,1,0]=4 2369 B7R0.1 C#CCCCOCC 34a_100000215630_100000210202 [0,2,0,0,0,0|1,0,1]=4 2370 B7R0.1 C#CCCCOCC 34a_100121572206_100000695029 [0,2,0,0,0,0|1,0,1]=4 2371 B7R0.1 C#CCCCOCC 7a_100000215630_100000210202 [0,2,0,0,0,0|1,0,1]=4 2372 B7R0.1 C#CCCCOCF 34a_100000215630_100015361967 [0,2,0,0,0,0|1,0,1]=4 2373 B7R0.1 C#CCCCOCF 7a_100000215630_100015361967 [0,2,0,0,0,0|1,0,1]=4 2374 B7R0.1 C#CCCOCC#C 34a_100000210247_100000688953 [0,2,0,0,0,0|1,0,1]=4 2375 B7R0.1 C#CCCOCC#C 34a_100011215631_100000184674 [0,2,0,0,0,0|1,0,1]=4 2376 B7R0.1 C#CCCOCC=C 34a_100011215631_100015514636 [0,2,0,0,0,0|1,0,1]=4 2377 B7R0.1 C#CCCOCC=C 34a_200000210373_100000688953 [0,2,0,0,0,0|1,0,1]=4 2378 B7R0.1 C#CCCOCC=O 34a_100011215631_200009817547 [0,2,0,0,0,0|1,0,1]=4 2379 B7R0.1 C#CCCOCCBr 34a_100000211926_100000688953 [0,2,0,0,0,0|1,0,1]=4 2380 B7R0.1 C#CCCOCCC 34a_100000210258_100000688953 [0,2,0,0,0,0|1,0,1]=4 2381 B7R0.1 C#CCCOCCC 34a_100011215631_100000210303 [0,2,0,0,0,0|1,0,1]=4 2382 B7R0.1 C#CCCOCCF 34a_100011215631_100011217306 [0,2,0,0,0,0|1,0,1]=4 2383 B7R0.1 C#CCCOCCN 34a_100000210304_100000688953 [0,2,0,0,0,0|1,0,1]=4 2384 B7R0.1 C#CCCOCCO 34a_100011215631_100000211926 [0,2,0,0,0,0|1,0,1]=4 2385 B7R0.1 C#CCCOCSC 34a_100011215631_100011218213 [0,2,0,0,0,0|1,0,1]=4 2386 B7R0.1 C#CCCSCOC 62a_100000688953_100000766300 [0,2,0,0,0,0|1,0,1]=4 2387 B7R0.1 C#CCCSCOC 62a_100000766300_100000688953 [0,2,0,0,0,0|1,0,1]=4 2388 B7R0.1 C#CCNCCCC 2230a_100000102301_100000038162 [0,2,0,0,0,0|2,0,0]=4 2389 B7R0.1 C#CCNCCCC 34a_100000212058_100000210210 [0,2,0,0,0,0|2,0,0]=4 2390 B7R0.1 C#CCNCCCC 7a_106832991798_100000038162 [0,2,0,0,0,0|2,0,0]=4 2391 B7R0.1 C#CCNCCOC 2230a_100000209980_100000038162 [0,2,0,0,0,0|1,0,0]=3 2392 B7R0.1 C#CCNCCOC 34a_100000212058_100011201679 [0,2,0,0,0,0|1,0,0]=3 2393 B7R0.1 C#CCNCCSC 2230a_100020590264_100000038162 [0,2,0,0,0,0|1,1,0]=4 2394 B7R0.1 C#CCNCCSC 34a_100000212058_100000212216 [0,2,0,0,0,0|1,1,0]=4 2395 B7R0.1 C#CCOC/C=C/C 34a_100000210247_100102629194 [0,2,0,0,0,0|1,0,1]=4 2396 B7R0.1 C#CCOC/C=C/C 34a_100016270725_100000184674 [0,2,0,0,0,0|1,0,1]=4 2397 B7R0.1 C#CCOCC#CC 34a_100000210247_100000748600 [0,2,0,0,0,0|1,0,1]=4 2398 B7R0.1 C#CCOCC#CC 34a_100000761923_100000184674 [0,2,0,0,0,0|1,0,1]=4 2399 B7R0.1 C#CCOCC=CC 34a_100000210247_100000070051 [0,2,0,0,0,0|1,0,1]=4 2400 B7R0.1 C#CCOCCC=C 34a_100000210247_100000754431 [0,2,0,0,0,0|1,0,1]=4 2401 B7R0.1 C#CCOCCC=C 34a_100011205117_100000184674 [0,2,0,0,0,0|1,0,1]=4 2402 B7R0.1 C#CCOCCCBr 34a_100011217188_100000184674 [0,2,0,0,0,0|2,0,0]=4 2403 B7R0.1 C#CCOCCCC 34a_100000210227_100000184674 [0,2,0,0,0,0|1,0,0]=3 2404 B7R0.1 C#CCOCCCC 34a_100000210247_100000210210 [0,2,0,0,0,0|1,0,0]=3 2405 B7R0.1 C#CCOCCCC 7a_100000210227_100000038162 [0,2,0,0,0,0|1,0,0]=3 2406 B7R0.1 C#CCOCCCCl 34a_100000230001_100000184674 [0,2,0,0,0,0|2,0,0]=4 2407 B7R0.1 C#CCOCCCF 34a_100000210247_100011934791 [0,2,0,0,0,0|2,0,0]=4 2408 B7R0.1 C#CCOCCCF 34a_100000759539_100000184674 [0,2,0,0,0,0|2,0,0]=4 2409 B7R0.1 C#CCOCCCN 34a_100000182051_100000184674 [0,2,0,0,0,0|2,0,0]=4 2410 B7R0.1 C#CCOCCCO 34a_100000210247_100000230001 [0,2,0,0,0,0|2,0,0]=4 2411 B7R0.1 C#CCOCCNC 2230a_100000700922_200000210301 [0,2,0,0,0,0|1,0,0]=3 2412 B7R0.1 C#CCOCCNC 2230a_106832991635_100010402529 [0,2,0,0,0,0|1,0,0]=3 2413 B7R0.1 C#CCOCCNC 34a_100000700922_200000210301 [0,2,0,0,0,0|1,0,0]=3 2414 B7R0.1 C#CCOCCNC 34a_100102657272_100010402529 [0,2,0,0,0,0|1,0,0]=3 2415 B7R0.1 C#CCOCCNC 7a_106832991635_100010402529 [0,2,0,0,0,0|1,0,0]=3 2416 B7R0.1 C#CCOCCN[13CH3] 2230a_100000700922_200025704644 [0,2,0,0,0,0|1,0,0]=3 2417 B7R0.1 C#CCOCCN[13CH3] 34a_100000700922_200025704644 [0,2,0,0,0,0|1,0,0]=3 2418 B7R0.1 C#CCOCCOC 34a_100000054580_200000210301 [0,2,0,0,0,0|0,0,0]=2 2419 B7R0.1 C#CCOCCOC 34a_100000210237_100000184674 [0,2,0,0,0,0|0,0,0]=2 2420 B7R0.1 C#CCOCCOC 34a_100000210247_100011201679 [0,2,0,0,0,0|0,0,0]=2 2421 B7R0.1 C#CCOCCOC 34a_100138415774_100010402529 [0,2,0,0,0,0|0,0,0]=2 2422 B7R0.1 C#CCOCCOC 7a_100000054580_200000210301 [0,2,0,0,0,0|0,0,0]=2 2423 B7R0.1 C#CCOCCON 34a_100000700252_100000184674 [0,2,0,0,0,0|1,0,0]=3 2424 B7R0.1 C#CCOCCO[13CH3] 34a_100000054580_200025704644 [0,2,0,0,0,0|0,0,0]=2 2425 B7R0.1 C#CCOCCO[13CH3] 7a_100000054580_200025704644 [0,2,0,0,0,0|0,0,0]=2 2426 B7R0.1 C#CCOCCSC 34a_100000210247_100000212216 [0,2,0,0,0,0|0,1,0]=3 2427 B7R0.1 C#CCOCCSC 34a_100000230434_100000184674 [0,2,0,0,0,0|0,1,0]=3 2428 B7R0.1 C#CCOCCSC 62a_100010402529_200000210301 [0,2,0,0,0,0|0,1,0]=3 2429 B7R0.1 C#CCOCCSC 62a_200000210301_100010402529 [0,2,0,0,0,0|0,1,0]=3 2430 B7R0.1 C#CCOCCSC 7a_100000230434_100000038162 [0,2,0,0,0,0|0,1,0]=3 2431 B7R0.1 C#CCOCCS[13CH3] 62a_100010402529_200025704644 [0,2,0,0,0,0|0,1,0]=3 2432 B7R0.1 C#CCOCCS[13CH3] 62a_200025704644_100010402529 [0,2,0,0,0,0|0,1,0]=3 2433 B7R0.1 C#CCSCCCC 62a_100000038162_100000210210 [0,2,0,0,0,0|1,1,0]=4 2434 B7R0.1 C#CCSCCOC 62a_100000038162_100000233755 [0,2,0,0,0,0|0,1,0]=3 2435 B7R0.1 C#CCSCCSC 62a_100000038162_100000751147 [0,2,0,0,0,0|0,2,0]=4 2436 B7R0.1 C#CCSCOCC 62a_100000038162_100000739092 [0,2,0,0,0,0|1,0,1]=4 2437 B7R0.1 C/C=C/C=C/COC 34a_100016283227_200000210301 [0,2,0,0,0,0|1,0,1]=4 2438 B7R0.1 C/C=C/C=C/CO[13CH3] 34a_100016283227_200025704644 [0,2,0,0,0,0|1,0,1]=4 2439 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [0,2,0,0,0,0|1,0,0]=3 2440 B7R0.1 C/C=C/CCOCF 34a_100016278192_100015361967 [0,2,0,0,0,0|1,0,0]=3 2441 B7R0.1 C/C=C/COCC=O 34a_100016270725_200009817547 [0,2,0,0,0,0|1,0,1]=4 2442 B7R0.1 C/C=C/COCCBr 34a_100000211926_100102629194 [0,2,0,0,0,0|1,0,1]=4 2443 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [0,2,0,0,0,0|1,0,1]=4 2444 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [0,2,0,0,0,0|1,0,1]=4 2445 B7R0.1 C/C=C/COCCF 34a_100016270725_100011217306 [0,2,0,0,0,0|1,0,1]=4 2446 B7R0.1 C/C=C/COCCN 34a_100000210304_100102629194 [0,2,0,0,0,0|1,0,1]=4 2447 B7R0.1 C/C=C/COCCO 34a_100016270725_100000211926 [0,2,0,0,0,0|1,0,1]=4 2448 B7R0.1 C/C=C/COCSC 34a_100016270725_100011218213 [0,2,0,0,0,0|1,0,1]=4 2449 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [0,2,0,0,0,0|2,0,0]=4 2450 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [0,2,0,0,0,0|2,0,0]=4 2451 B7R0.1 C/C=C/CSCOC 62a_100000766300_100102629194 [0,2,0,0,0,0|1,0,0]=3 2452 B7R0.1 C/C=C/CSCOC 62a_100102629194_100000766300 [0,2,0,0,0,0|1,0,0]=3 2453 B7R0.1 C/C=C/CSCSC 62a_100011218213_100102629194 [0,2,0,0,0,0|1,1,0]=4 2454 B7R0.1 C/C=C/CSCSC 62a_100102629194_100011218213 [0,2,0,0,0,0|1,1,0]=4 2455 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [0,2,0,0,0,0|2,0,0]=4 2456 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [0,2,0,0,0,0|2,0,0]=4 2457 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [0,2,0,0,0,0|2,0,0]=4 2458 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [0,2,0,0,0,0|2,0,0]=4 2459 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [0,2,0,0,0,0|2,0,0]=4 2460 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [0,2,0,0,0,0|2,0,0]=4 2461 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [0,2,0,0,0,0|2,0,0]=4 2462 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [0,2,0,0,0,0|1,0,0]=3 2463 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [0,2,0,0,0,0|1,0,0]=3 2464 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [0,2,0,0,0,0|1,0,0]=3 2465 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [0,2,0,0,0,0|1,0,0]=3 2466 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [0,2,0,0,0,0|1,0,0]=3 2467 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [0,2,0,0,0,0|1,1,0]=4 2468 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [0,2,0,0,0,0|1,1,0]=4 2469 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [0,2,0,0,0,0|1,1,0]=4 2470 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [0,2,0,0,0,0|1,1,0]=4 2471 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [0,2,0,0,0,0|1,0,1]=4 2472 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [0,2,0,0,0,0|1,0,1]=4 2473 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [0,2,0,0,0,0|1,0,1]=4 2474 B7R0.1 C=CCCCOCF 34a_100000758997_100015361967 [0,2,0,0,0,0|1,0,1]=4 2475 B7R0.1 C=CCCCOCF 7a_100000758997_100015361967 [0,2,0,0,0,0|1,0,1]=4 2476 B7R0.1 C=CCCNCOC 2230a_100015191253_100000766300 [0,2,0,0,0,0|1,0,1]=4 2477 B7R0.1 C=CCCOCC=C 34a_100011205117_100015514636 [0,2,0,0,0,0|1,0,1]=4 2478 B7R0.1 C=CCCOCC=C 34a_200000210373_100000754431 [0,2,0,0,0,0|1,0,1]=4 2479 B7R0.1 C=CCCOCC=O 34a_100011205117_200009817547 [0,2,0,0,0,0|1,0,1]=4 2480 B7R0.1 C=CCCOCCBr 34a_100000211926_100000754431 [0,2,0,0,0,0|1,0,1]=4 2481 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [0,2,0,0,0,0|1,0,1]=4 2482 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [0,2,0,0,0,0|1,0,1]=4 2483 B7R0.1 C=CCCOCCF 34a_100011205117_100011217306 [0,2,0,0,0,0|1,0,1]=4 2484 B7R0.1 C=CCCOCCN 34a_100000210304_100000754431 [0,2,0,0,0,0|1,0,1]=4 2485 B7R0.1 C=CCCOCCO 34a_100011205117_100000211926 [0,2,0,0,0,0|1,0,1]=4 2486 B7R0.1 C=CCCOCSC 34a_100011205117_100011218213 [0,2,0,0,0,0|1,0,1]=4 2487 B7R0.1 C=CCCSCOC 62a_100000754431_100000766300 [0,2,0,0,0,0|1,0,1]=4 2488 B7R0.1 C=CCCSCOC 62a_100000766300_100000754431 [0,2,0,0,0,0|1,0,1]=4 2489 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [0,2,0,0,0,0|2,0,0]=4 2490 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [0,2,0,0,0,0|2,0,0]=4 2491 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [0,2,0,0,0,0|2,0,0]=4 2492 B7R0.1 C=CCNCCOC 2230a_100000209980_100000210623 [0,2,0,0,0,0|1,0,0]=3 2493 B7R0.1 C=CCNCCOC 2230a_100020586998_100011201679 [0,2,0,0,0,0|1,0,0]=3 2494 B7R0.1 C=CCNCCSC 2230a_100020586998_100000751147 [0,2,0,0,0,0|1,1,0]=4 2495 B7R0.1 C=CCNCCSC 2230a_100020590264_100000210623 [0,2,0,0,0,0|1,1,0]=4 2496 B7R0.1 C=CCOC/C=C/C 34a_100016270725_100015514636 [0,2,0,0,0,0|1,0,1]=4 2497 B7R0.1 C=CCOC/C=C/C 34a_200000210373_100102629194 [0,2,0,0,0,0|1,0,1]=4 2498 B7R0.1 C=CCOCC#CC 34a_100000761923_100015514636 [0,2,0,0,0,0|1,0,1]=4 2499 B7R0.1 C=CCOCC#CC 34a_200000210373_100000748600 [0,2,0,0,0,0|1,0,1]=4 2500 B7R0.1 C=CCOCC=CC 34a_200000210373_100000070051 [0,2,0,0,0,0|1,0,1]=4 2501 B7R0.1 C=CCOCCCBr 34a_100011217188_100015514636 [0,2,0,0,0,0|2,0,0]=4 2502 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [0,2,0,0,0,0|1,0,0]=3 2503 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [0,2,0,0,0,0|1,0,0]=3 2504 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [0,2,0,0,0,0|1,0,0]=3 2505 B7R0.1 C=CCOCCCCl 34a_100000230001_100015514636 [0,2,0,0,0,0|2,0,0]=4 2506 B7R0.1 C=CCOCCCF 34a_100000759539_100015514636 [0,2,0,0,0,0|2,0,0]=4 2507 B7R0.1 C=CCOCCCF 34a_200000210373_100011934791 [0,2,0,0,0,0|2,0,0]=4 2508 B7R0.1 C=CCOCCCN 34a_100000182051_100015514636 [0,2,0,0,0,0|2,0,0]=4 2509 B7R0.1 C=CCOCCCO 34a_200000210373_100000230001 [0,2,0,0,0,0|2,0,0]=4 2510 B7R0.1 C=CCOCCOC 34a_100000037705_200000210301 [0,2,0,0,0,0|0,0,0]=2 2511 B7R0.1 C=CCOCCOC 34a_100000210237_100015514636 [0,2,0,0,0,0|0,0,0]=2 2512 B7R0.1 C=CCOCCOC 34a_200000210373_100011201679 [0,2,0,0,0,0|0,0,0]=2 2513 B7R0.1 C=CCOCCOC 7a_100000037705_200000210301 [0,2,0,0,0,0|0,0,0]=2 2514 B7R0.1 C=CCOCCON 34a_100000700252_100015514636 [0,2,0,0,0,0|1,0,0]=3 2515 B7R0.1 C=CCOCCO[13CH3] 34a_100000037705_200025704644 [0,2,0,0,0,0|0,0,0]=2 2516 B7R0.1 C=CCOCCO[13CH3] 7a_100000037705_200025704644 [0,2,0,0,0,0|0,0,0]=2 2517 B7R0.1 C=CCOCCSC 34a_100000230434_100015514636 [0,2,0,0,0,0|0,1,0]=3 2518 B7R0.1 C=CCOCCSC 34a_200000210373_100000212216 [0,2,0,0,0,0|0,1,0]=3 2519 B7R0.1 C=CCOCCSC 7a_100000230434_100015514636 [0,2,0,0,0,0|0,1,0]=3 2520 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [0,2,0,0,0,0|1,1,0]=4 2521 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [0,2,0,0,0,0|1,1,0]=4 2522 B7R0.1 C=CCSCCOC 62a_100000210623_100000233755 [0,2,0,0,0,0|0,1,0]=3 2523 B7R0.1 C=CCSCCOC 62a_100000233755_100000210623 [0,2,0,0,0,0|0,1,0]=3 2524 B7R0.1 C=CCSCCSC 62a_100000210623_100000751147 [0,2,0,0,0,0|0,2,0]=4 2525 B7R0.1 C=CCSCCSC 62a_100000212216_100000210623 [0,2,0,0,0,0|0,2,0]=4 2526 B7R0.1 C=CCSCOCC 62a_100000210623_100000739092 [0,2,0,0,0,0|1,0,1]=4 2527 B7R0.1 C=CCSCOCC 62a_100000739092_100000210623 [0,2,0,0,0,0|1,0,1]=4 2528 B7R0.1 C=COCCCNC 2230a_100000210767_200000210301 [0,2,0,0,0,0|1,0,1]=4 2529 B7R0.1 C=COCCCNC 34a_100000210767_200000210301 [0,2,0,0,0,0|1,0,1]=4 2530 B7R0.1 C=COCCCN[13CH3] 2230a_100000210767_200025704644 [0,2,0,0,0,0|1,0,1]=4 2531 B7R0.1 C=COCCCN[13CH3] 34a_100000210767_200025704644 [0,2,0,0,0,0|1,0,1]=4 2532 B7R0.1 C=COCCNCC 2230a_100015525214_100000039644 [0,2,0,0,0,0|1,0,1]=4 2533 B7R0.1 C=COCCOCC 34a_100000033082_100000210202 [0,2,0,0,0,0|0,0,1]=3 2534 B7R0.1 C=COCCOCC 34a_100121572206_100000039644 [0,2,0,0,0,0|0,0,1]=3 2535 B7R0.1 C=COCCOCF 34a_100000033082_100015361967 [0,2,0,0,0,0|0,0,1]=3 2536 B7R0.1 C=COCCSCC 62a_100000039644_100000210202 [0,2,0,0,0,0|0,1,1]=4 2537 B7R0.1 C=COCCSCC 62a_100000210202_100000039644 [0,2,0,0,0,0|0,1,1]=4 2538 B7R0.1 C=COCCSCF 62a_100000039644_100015361967 [0,2,0,0,0,0|0,1,1]=4 2539 B7R0.1 C=COCCSCF 62a_100015361967_100000039644 [0,2,0,0,0,0|0,1,1]=4 2540 B7R0.1 CC#CCCOCC 34a_100000750427_100000210202 [0,2,0,0,0,0|1,0,0]=3 2541 B7R0.1 CC#CCCOCF 34a_100000750427_100015361967 [0,2,0,0,0,0|1,0,0]=3 2542 B7R0.1 CC#CCNCCC 2230a_100000685387_100000210303 [0,2,0,0,0,0|2,0,0]=4 2543 B7R0.1 CC#CCNCCC 34a_100000685387_100000210303 [0,2,0,0,0,0|2,0,0]=4 2544 B7R0.1 CC#CCNCOC 2230a_100000685387_100000766300 [0,2,0,0,0,0|1,0,0]=3 2545 B7R0.1 CC#CCNCSC 2230a_100000685387_100011218213 [0,2,0,0,0,0|1,1,0]=4 2546 B7R0.1 CC#CCNCSC 34a_100000685387_100011218213 [0,2,0,0,0,0|1,1,0]=4 2547 B7R0.1 CC#CCOCC=O 34a_100000761923_200009817547 [0,2,0,0,0,0|1,0,1]=4 2548 B7R0.1 CC#CCOCCBr 34a_100000211926_100000748600 [0,2,0,0,0,0|1,0,1]=4 2549 B7R0.1 CC#CCOCCC 34a_100000210258_100000748600 [0,2,0,0,0,0|1,0,1]=4 2550 B7R0.1 CC#CCOCCC 34a_100000761923_100000210303 [0,2,0,0,0,0|1,0,1]=4 2551 B7R0.1 CC#CCOCCF 34a_100000761923_100011217306 [0,2,0,0,0,0|1,0,1]=4 2552 B7R0.1 CC#CCOCCN 34a_100000210304_100000748600 [0,2,0,0,0,0|1,0,1]=4 2553 B7R0.1 CC#CCOCCO 34a_100000761923_100000211926 [0,2,0,0,0,0|1,0,1]=4 2554 B7R0.1 CC#CCOCSC 34a_100000761923_100011218213 [0,2,0,0,0,0|1,0,1]=4 2555 B7R0.1 CC#CCSCCC 62a_100000210303_100000748600 [0,2,0,0,0,0|2,0,0]=4 2556 B7R0.1 CC#CCSCCC 62a_100000748600_100000210303 [0,2,0,0,0,0|2,0,0]=4 2557 B7R0.1 CC#CCSCOC 62a_100000748600_100000766300 [0,2,0,0,0,0|1,0,0]=3 2558 B7R0.1 CC#CCSCOC 62a_100000766300_100000748600 [0,2,0,0,0,0|1,0,0]=3 2559 B7R0.1 CC#CCSCSC 62a_100000748600_100011218213 [0,2,0,0,0,0|1,1,0]=4 2560 B7R0.1 CC#CCSCSC 62a_100011218213_100000748600 [0,2,0,0,0,0|1,1,0]=4 2561 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [0,2,0,0,0,0|2,0,0]=4 2562 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [0,2,0,0,0,0|2,0,0]=4 2563 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [0,2,0,0,0,0|2,0,0]=4 2564 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [0,2,0,0,0,0|1,0,0]=3 2565 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [0,2,0,0,0,0|1,0,0]=3 2566 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [0,2,0,0,0,0|1,0,0]=3 2567 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [0,2,0,0,0,0|1,0,0]=3 2568 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [0,2,0,0,0,0|1,0,0]=3 2569 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [0,2,0,0,0,0|1,1,0]=4 2570 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [0,2,0,0,0,0|1,1,0]=4 2571 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [0,2,0,0,0,0|1,1,0]=4 2572 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [0,2,0,0,0,0|1,1,0]=4 2573 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [0,2,0,0,0,0|1,0,1]=4 2574 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [0,2,0,0,0,0|1,0,1]=4 2575 B7R0.1 CC/C=C\COCF 34a_100016268518_100015361967 [0,2,0,0,0,0|1,0,1]=4 2576 B7R0.1 CC=C=CCCOC 34a_100011020354_200000210301 [0,2,0,0,0,0|1,0,0]=3 2577 B7R0.1 CC=C=CCCO[13CH3] 34a_100011020354_200025704644 [0,2,0,0,0,0|1,0,0]=3 2578 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [0,2,0,0,0,0|1,0,0]=3 2579 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [0,2,0,0,0,0|1,0,0]=3 2580 B7R0.1 CC=CCOCCBr 34a_100000211926_100000070051 [0,2,0,0,0,0|1,0,1]=4 2581 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [0,2,0,0,0,0|1,0,1]=4 2582 B7R0.1 CC=CCOCCN 34a_100000210304_100000070051 [0,2,0,0,0,0|1,0,1]=4 2583 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [0,2,0,0,0,0|2,0,0]=4 2584 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [0,2,0,0,0,0|2,0,0]=4 2585 B7R0.1 CC=CCSCOC 62a_100000070051_100000766300 [0,2,0,0,0,0|1,0,0]=3 2586 B7R0.1 CC=CCSCOC 62a_100000766300_100000070051 [0,2,0,0,0,0|1,0,0]=3 2587 B7R0.1 CC=CCSCSC 62a_100000070051_100011218213 [0,2,0,0,0,0|1,1,0]=4 2588 B7R0.1 CC=CCSCSC 62a_100011218213_100000070051 [0,2,0,0,0,0|1,1,0]=4 2589 B7R0.1 CC=NNCCCC 4a_100025702795_200000210099 [0,2,0,0,0,0|2,0,0]=4 2590 B7R0.1 CCC#CCCOC 34a_100000036655_200000210301 [0,2,0,0,0,0|1,0,0]=3 2591 B7R0.1 CCC#CCCOC 7a_100000036655_200000210301 [0,2,0,0,0,0|1,0,0]=3 2592 B7R0.1 CCC#CCCO[13CH3] 34a_100000036655_200025704644 [0,2,0,0,0,0|1,0,0]=3 2593 B7R0.1 CCC#CCCO[13CH3] 7a_100000036655_200025704644 [0,2,0,0,0,0|1,0,0]=3 2594 B7R0.1 CCC#CCOCC 34a_100000032950_100000210202 [0,2,0,0,0,0|1,0,1]=4 2595 B7R0.1 CCC#CCOCC 34a_100121572206_100009813939 [0,2,0,0,0,0|1,0,1]=4 2596 B7R0.1 CCC#CCOCF 34a_100000032950_100015361967 [0,2,0,0,0,0|1,0,1]=4 2597 B7R0.1 CCC/C=C/COC 34a_100016278788_200000210301 [0,2,0,0,0,0|1,0,0]=3 2598 B7R0.1 CCC/C=C/COC 7a_100016278788_200000210301 [0,2,0,0,0,0|1,0,0]=3 2599 B7R0.1 CCC/C=C/CO[13CH3] 34a_100016278788_200025704644 [0,2,0,0,0,0|1,0,0]=3 2600 B7R0.1 CCC/C=C/CO[13CH3] 7a_100016278788_200025704644 [0,2,0,0,0,0|1,0,0]=3 2601 B7R0.1 CCCC#CCOC 34a_100000034806_200000210301 [0,2,0,0,0,0|1,0,0]=3 2602 B7R0.1 CCCC#CCOC 7a_100000034806_200000210301 [0,2,0,0,0,0|1,0,0]=3 2603 B7R0.1 CCCC#CCO[13CH3] 34a_100000034806_200025704644 [0,2,0,0,0,0|1,0,0]=3 2604 B7R0.1 CCCC#CCO[13CH3] 7a_100000034806_200025704644 [0,2,0,0,0,0|1,0,0]=3 2605 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [0,2,0,0,0,0|2,0,0]=4 2606 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [0,2,0,0,0,0|2,0,0]=4 2607 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [0,2,0,0,0,0|2,0,0]=4 2608 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [0,2,0,0,0,0|2,0,0]=4 2609 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [0,2,0,0,0,0|2,0,0]=4 2610 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [0,2,0,0,0,0|1,0,0]=3 2611 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [0,2,0,0,0,0|1,0,0]=3 2612 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [0,2,0,0,0,0|1,0,0]=3 2613 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [0,2,0,0,0,0|1,0,0]=3 2614 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [0,2,0,0,0,0|1,0,0]=3 2615 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [0,2,0,0,0,0|1,1,0]=4 2616 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [0,2,0,0,0,0|1,1,0]=4 2617 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [0,2,0,0,0,0|1,1,0]=4 2618 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [0,2,0,0,0,0|1,1,0]=4 2619 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [0,2,0,0,0,0|2,0,0]=4 2620 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [0,2,0,0,0,0|2,0,0]=4 2621 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [0,2,0,0,0,0|1,0,0]=3 2622 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [0,2,0,0,0,0|1,0,0]=3 2623 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [0,2,0,0,0,0|1,0,0]=3 2624 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [0,2,0,0,0,0|1,0,0]=3 2625 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [0,2,0,0,0,0|1,0,0]=3 2626 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [0,2,0,0,0,0|1,1,0]=4 2627 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [0,2,0,0,0,0|1,1,0]=4 2628 B7R0.1 CCCCCSCF 62a_100000210326_100015361967 [0,2,0,0,0,0|1,1,0]=4 2629 B7R0.1 CCCCCSCF 62a_100015361967_100000210326 [0,2,0,0,0,0|1,1,0]=4 2630 B7R0.1 CCCCNCC#N 2230a_100000102301_100011215382 [0,2,0,0,0,0|2,0,0]=4 2631 B7R0.1 CCCCNCC#N 7a_106832991798_100011215382 [0,2,0,0,0,0|2,0,0]=4 2632 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [0,2,0,0,0,0|2,0,0]=4 2633 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [0,2,0,0,0,0|2,0,0]=4 2634 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [0,2,0,0,0,0|2,0,0]=4 2635 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [0,2,0,0,0,0|2,0,0]=4 2636 B7R0.1 CCCCNCCF 2230a_100000102301_100011217306 [0,2,0,0,0,0|2,0,0]=4 2637 B7R0.1 CCCCNCCF 34a_100000724931_100000210210 [0,2,0,0,0,0|2,0,0]=4 2638 B7R0.1 CCCCNCCF 7a_106832991798_100011217306 [0,2,0,0,0,0|2,0,0]=4 2639 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [0,2,0,0,0,0|2,0,0]=4 2640 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [0,2,0,0,0,0|2,0,0]=4 2641 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [0,2,0,0,0,0|2,0,0]=4 2642 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [0,2,0,0,0,0|2,0,0]=4 2643 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [0,2,0,0,0,0|1,0,0]=3 2644 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [0,2,0,0,0,0|1,1,0]=4 2645 B7R0.1 CCCCOCC#N 7a_100000210227_100011215382 [0,2,0,0,0,0|1,0,0]=3 2646 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [0,2,0,0,0,0|1,0,0]=3 2647 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [0,2,0,0,0,0|1,0,0]=3 2648 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [0,2,0,0,0,0|1,0,0]=3 2649 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [0,2,0,0,0,0|1,0,0]=3 2650 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [0,2,0,0,0,0|1,0,0]=3 2651 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [0,2,0,0,0,0|1,0,0]=3 2652 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [0,2,0,0,0,0|1,0,0]=3 2653 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [0,2,0,0,0,0|1,0,0]=3 2654 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [0,2,0,0,0,0|1,0,0]=3 2655 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [0,2,0,0,0,0|1,0,0]=3 2656 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [0,2,0,0,0,0|1,0,0]=3 2657 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [0,2,0,0,0,0|1,0,0]=3 2658 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [0,2,0,0,0,0|1,0,0]=3 2659 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [0,2,0,0,0,0|1,0,0]=3 2660 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [0,2,0,0,0,0|1,0,0]=3 2661 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [0,2,0,0,0,0|1,0,0]=3 2662 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [0,2,0,0,0,0|1,0,0]=3 2663 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [0,2,0,0,0,0|1,0,0]=3 2664 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [0,2,0,0,0,0|1,0,0]=3 2665 B7R0.1 CCCCSCC#N 62a_100000210211_100011215382 [0,2,0,0,0,0|1,1,0]=4 2666 B7R0.1 CCCCSCC#N 62a_100011215382_100000210210 [0,2,0,0,0,0|1,1,0]=4 2667 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [0,2,0,0,0,0|1,1,0]=4 2668 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [0,2,0,0,0,0|1,1,0]=4 2669 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [0,2,0,0,0,0|1,1,0]=4 2670 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [0,2,0,0,0,0|1,1,0]=4 2671 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [0,2,0,0,0,0|1,1,0]=4 2672 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [0,2,0,0,0,0|1,1,0]=4 2673 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [0,2,0,0,0,0|1,1,0]=4 2674 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [0,2,0,0,0,0|1,1,0]=4 2675 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [0,2,0,0,0,0|1,0,0]=3 2676 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [0,2,0,0,0,0|1,0,0]=3 2677 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [0,2,0,0,0,0|1,1,0]=4 2678 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [0,2,0,0,0,0|1,1,0]=4 2679 B7R0.1 CCCNCCCF 2230a_100015189416_100000210303 [0,2,0,0,0,0|2,0,0]=4 2680 B7R0.1 CCCNCCCF 34a_100015189416_100000210303 [0,2,0,0,0,0|2,0,0]=4 2681 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [0,2,0,0,0,0|1,0,0]=3 2682 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [0,2,0,0,0,0|1,1,0]=4 2683 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [0,2,0,0,0,0|2,0,0]=4 2684 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [0,2,0,0,0,0|2,0,0]=4 2685 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [0,2,0,0,0,0|2,0,0]=4 2686 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [0,2,0,0,0,0|2,0,0]=4 2687 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [0,2,0,0,0,0|2,0,0]=4 2688 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [0,2,0,0,0,0|2,0,0]=4 2689 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [0,2,0,0,0,0|1,0,0]=3 2690 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [0,2,0,0,0,0|1,0,0]=3 2691 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [0,2,0,0,0,0|1,0,0]=3 2692 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [0,2,0,0,0,0|1,0,0]=3 2693 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [0,2,0,0,0,0|1,0,0]=3 2694 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [0,2,0,0,0,0|1,0,0]=3 2695 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [0,2,0,0,0,0|1,0,0]=3 2696 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [0,2,0,0,0,0|0,0,0]=2 2697 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [0,2,0,0,0,0|0,0,0]=2 2698 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [0,2,0,0,0,0|0,0,0]=2 2699 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [0,2,0,0,0,0|0,0,0]=2 2700 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [0,2,0,0,0,0|0,0,0]=2 2701 B7R0.1 CCCOCCON 34a_100000700252_100000210303 [0,2,0,0,0,0|1,0,0]=3 2702 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [0,2,0,0,0,0|0,0,0]=2 2703 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [0,2,0,0,0,0|0,0,0]=2 2704 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [0,2,0,0,0,0|0,1,0]=3 2705 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [0,2,0,0,0,0|0,1,0]=3 2706 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [0,2,0,0,0,0|0,1,0]=3 2707 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [0,2,0,0,0,0|0,1,0]=3 2708 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [0,2,0,0,0,0|0,1,0]=3 2709 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [0,2,0,0,0,0|0,1,0]=3 2710 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [0,2,0,0,0,0|0,1,0]=3 2711 B7R0.1 CCCSCCCF 62a_100000210303_100011934791 [0,2,0,0,0,0|2,0,0]=4 2712 B7R0.1 CCCSCCCF 62a_100011934791_100000210303 [0,2,0,0,0,0|2,0,0]=4 2713 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [0,2,0,0,0,0|2,0,0]=4 2714 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [0,2,0,0,0,0|2,0,0]=4 2715 B7R0.1 CCCSCCNC 2230a_100020603323_200000210301 [0,2,0,0,0,0|1,1,0]=4 2716 B7R0.1 CCCSCCN[13CH3] 2230a_100020603323_200025704644 [0,2,0,0,0,0|1,1,0]=4 2717 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [0,2,0,0,0,0|0,1,0]=3 2718 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [0,2,0,0,0,0|0,1,0]=3 2719 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [0,2,0,0,0,0|0,1,0]=3 2720 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [0,2,0,0,0,0|0,1,0]=3 2721 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [0,2,0,0,0,0|0,1,0]=3 2722 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [0,2,0,0,0,0|0,1,0]=3 2723 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [0,2,0,0,0,0|0,2,0]=4 2724 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [0,2,0,0,0,0|0,2,0]=4 2725 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [0,2,0,0,0,0|1,0,0]=3 2726 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [0,2,0,0,0,0|1,0,0]=3 2727 B7R0.1 CCNCCCCF 2230a_100015525214_100000729493 [0,2,0,0,0,0|2,0,0]=4 2728 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [0,2,0,0,0,0|2,0,0]=4 2729 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [0,2,0,0,0,0|2,0,0]=4 2730 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [0,2,0,0,0,0|2,0,0]=4 2731 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [0,2,0,0,0,0|1,0,0]=3 2732 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [0,2,0,0,0,0|1,0,0]=3 2733 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [0,2,0,0,0,0|1,1,0]=4 2734 B7R0.1 CCNCCOCC 2230a_100015525214_100011215890 [0,2,0,0,0,0|1,0,0]=3 2735 B7R0.1 CCNCCOCC 2230a_102516460346_100000210202 [0,2,0,0,0,0|1,0,0]=3 2736 B7R0.1 CCNCCOCC 34a_102516460346_100000210202 [0,2,0,0,0,0|1,0,0]=3 2737 B7R0.1 CCNCCSCC 2230a_100000106463_100000210202 [0,2,0,0,0,0|1,1,0]=4 2738 B7R0.1 CCNCCSCC 2230a_100015525214_100000757381 [0,2,0,0,0,0|1,1,0]=4 2739 B7R0.1 CCOCC#CCCl 34a_200000047223_100000210202 [0,2,0,0,0,0|1,0,1]=4 2740 B7R0.1 CCOCC#CCO 34a_100121572206_200000047223 [0,2,0,0,0,0|1,0,1]=4 2741 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [0,2,0,0,0,0|1,0,0]=3 2742 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [0,2,0,0,0,0|1,0,0]=3 2743 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [0,2,0,0,0,0|1,0,0]=3 2744 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [0,2,0,0,0,0|1,0,0]=3 2745 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [0,2,0,0,0,0|1,0,0]=3 2746 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [0,2,0,0,0,0|1,0,0]=3 2747 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [0,2,0,0,0,0|1,0,0]=3 2748 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [0,2,0,0,0,0|1,0,0]=3 2749 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [0,2,0,0,0,0|1,0,0]=3 2750 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [0,2,0,0,0,0|1,0,0]=3 2751 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [0,2,0,0,0,0|1,0,0]=3 2752 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [0,2,0,0,0,0|1,0,0]=3 2753 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [0,2,0,0,0,0|1,0,0]=3 2754 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [0,2,0,0,0,0|1,0,0]=3 2755 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [0,2,0,0,0,0|1,0,0]=3 2756 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [0,2,0,0,0,0|1,0,0]=3 2757 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [0,2,0,0,0,0|1,0,0]=3 2758 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [0,2,0,0,0,0|0,0,0]=2 2759 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [0,2,0,0,0,0|0,0,0]=2 2760 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [0,2,0,0,0,0|0,0,0]=2 2761 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [0,2,0,0,0,0|0,0,0]=2 2762 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [0,2,0,0,0,0|0,0,0]=2 2763 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [0,2,0,0,0,0|0,0,0]=2 2764 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [0,2,0,0,0,0|0,0,0]=2 2765 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [0,2,0,0,0,0|0,1,0]=3 2766 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [0,2,0,0,0,0|0,1,0]=3 2767 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [0,2,0,0,0,0|0,1,0]=3 2768 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [0,2,0,0,0,0|0,1,0]=3 2769 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [0,2,0,0,0,0|0,1,0]=3 2770 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [0,2,0,0,0,0|0,1,0]=3 2771 B7R0.1 CCOCCNCF 34a_102516460346_100015361967 [0,2,0,0,0,0|1,0,0]=3 2772 B7R0.1 CCOCCOCC 34a_100000210136_100000210202 [0,2,0,0,0,0|0,0,0]=2 2773 B7R0.1 CCOCCOCC 34a_100121572206_100000210147 [0,2,0,0,0,0|0,0,0]=2 2774 B7R0.1 CCOCCOCC 7a_100000210136_100000210202 [0,2,0,0,0,0|0,0,0]=2 2775 B7R0.1 CCOCCOCF 34a_100000210136_100015361967 [0,2,0,0,0,0|0,0,0]=2 2776 B7R0.1 CCOCCOCF 7a_100000210136_100015361967 [0,2,0,0,0,0|0,0,0]=2 2777 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [0,2,0,0,0,0|0,1,0]=3 2778 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [0,2,0,0,0,0|0,1,0]=3 2779 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [0,2,0,0,0,0|0,1,0]=3 2780 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [0,2,0,0,0,0|0,1,0]=3 2781 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [0,2,0,0,0,0|0,1,0]=3 2782 B7R0.1 CCOCCSCF 62a_100000210147_100015361967 [0,2,0,0,0,0|0,1,0]=3 2783 B7R0.1 CCOCCSCF 62a_100015361967_100011215890 [0,2,0,0,0,0|0,1,0]=3 2784 B7R0.1 CCOCSCC#N 62a_100000739092_100011215382 [0,2,0,0,0,0|2,0,0]=4 2785 B7R0.1 CCOCSCC#N 62a_100011215382_100000739092 [0,2,0,0,0,0|2,0,0]=4 2786 B7R0.1 CCOCSCC=O 62a_100000739092_200015260668 [0,2,0,0,0,0|2,0,0]=4 2787 B7R0.1 CCOCSCC=O 62a_200015260668_100000739092 [0,2,0,0,0,0|2,0,0]=4 2788 B7R0.1 CCOCSCCF 62a_100000739092_100011217306 [0,2,0,0,0,0|2,0,0]=4 2789 B7R0.1 CCOCSCCF 62a_100011217306_100000739092 [0,2,0,0,0,0|2,0,0]=4 2790 B7R0.1 CCOCSCCO 62a_100000211926_100000739092 [0,2,0,0,0,0|2,0,0]=4 2791 B7R0.1 CCOCSCCO 62a_100000739092_100000211926 [0,2,0,0,0,0|2,0,0]=4 2792 B7R0.1 CCOCSCOC 62a_100000739092_100000766300 [0,2,0,0,0,0|0,0,0]=2 2793 B7R0.1 CCOCSCOC 62a_100000766300_100000739092 [0,2,0,0,0,0|0,0,0]=2 2794 B7R0.1 CCOCSCSC 62a_100000739092_100011218213 [0,2,0,0,0,0|0,1,0]=3 2795 B7R0.1 CCOCSCSC 62a_100011218213_100000739092 [0,2,0,0,0,0|0,1,0]=3 2796 B7R0.1 CCSCCCCF 62a_100000210202_100000729493 [0,2,0,0,0,0|1,1,0]=4 2797 B7R0.1 CCSCCCCF 62a_100000729493_100000210202 [0,2,0,0,0,0|1,1,0]=4 2798 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [0,2,0,0,0,0|1,1,0]=4 2799 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [0,2,0,0,0,0|1,1,0]=4 2800 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [0,2,0,0,0,0|0,1,0]=3 2801 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [0,2,0,0,0,0|0,1,0]=3 2802 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [0,2,0,0,0,0|0,1,0]=3 2803 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [0,2,0,0,0,0|0,1,0]=3 2804 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [0,2,0,0,0,0|0,1,0]=3 2805 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [0,2,0,0,0,0|0,1,0]=3 2806 B7R0.1 CCSCCOCF 34a_100000212035_100015361967 [0,2,0,0,0,0|0,1,0]=3 2807 B7R0.1 CCSCCOCF 7a_100000212035_100015361967 [0,2,0,0,0,0|0,1,0]=3 2808 B7R0.1 CCSCCSCC 62a_100000210202_100000757381 [0,2,0,0,0,0|0,2,0]=4 2809 B7R0.1 CCSCCSCC 62a_100000757381_100000210202 [0,2,0,0,0,0|0,2,0]=4 2810 B7R0.1 CCSCCSCF 62a_100000757381_100015361967 [0,2,0,0,0,0|0,2,0]=4 2811 B7R0.1 CCSCCSCF 62a_100015361967_100000757381 [0,2,0,0,0,0|0,2,0]=4 2812 B7R0.1 CNCCCCC#N 2230a_106832991635_100000211819 [0,2,0,0,0,0|2,0,0]=4 2813 B7R0.1 CNCCCCC#N 7a_106832991635_100000211819 [0,2,0,0,0,0|2,0,0]=4 2814 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [0,2,0,0,0,0|2,0,0]=4 2815 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [0,2,0,0,0,0|2,0,0]=4 2816 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [0,2,0,0,0,0|2,0,0]=4 2817 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [0,2,0,0,0,0|2,0,0]=4 2818 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [0,2,0,0,0,0|2,0,0]=4 2819 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [0,2,0,0,0,0|2,0,0]=4 2820 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [0,2,0,0,0,0|2,0,0]=4 2821 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [0,2,0,0,0,0|2,0,0]=4 2822 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [0,2,0,0,0,0|2,0,0]=4 2823 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [0,2,0,0,0,0|2,0,0]=4 2824 B7R0.1 CNCCCCOC 2230a_106832991635_100000730899 [0,2,0,0,0,0|1,0,0]=3 2825 B7R0.1 CNCCCCOC 34a_100102657272_100000755781 [0,2,0,0,0,0|1,0,0]=3 2826 B7R0.1 CNCCCCOC 7a_106832991635_100000730899 [0,2,0,0,0,0|1,0,0]=3 2827 B7R0.1 CNCCCOCF 34a_100000213112_100015361967 [0,2,0,0,0,0|1,0,0]=3 2828 B7R0.1 CNCCOCC#N 2230a_106832991635_200000047693 [0,2,0,0,0,0|1,0,0]=3 2829 B7R0.1 CNCCOCC#N 7a_106832991635_200000047693 [0,2,0,0,0,0|1,0,0]=3 2830 B7R0.1 CNCCOCCO 2230a_100000211614_200000210301 [0,2,0,0,0,0|1,0,0]=3 2831 B7R0.1 CNCCOCCO 2230a_106832991635_100011215305 [0,2,0,0,0,0|1,0,0]=3 2832 B7R0.1 CNCCOCCO 34a_100000211614_200000210301 [0,2,0,0,0,0|1,0,0]=3 2833 B7R0.1 CNCCOCCO 34a_100102657272_100000692535 [0,2,0,0,0,0|1,0,0]=3 2834 B7R0.1 CNCCOCCO 7a_106832991635_100011215305 [0,2,0,0,0,0|1,0,0]=3 2835 B7R0.1 CNCCSCCO 2230a_100011219999_200000210301 [0,2,0,0,0,0|1,1,0]=4 2836 B7R0.1 CNCOCCOC 2230a_106832991635_100000231047 [0,2,0,0,0,0|0,0,0]=2 2837 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [0,2,0,0,0,0|1,0,0]=3 2838 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [0,2,0,0,0,0|1,0,0]=3 2839 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [0,2,0,0,0,0|1,0,0]=3 2840 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [0,2,0,0,0,0|1,0,0]=3 2841 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [0,2,0,0,0,0|1,0,0]=3 2842 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [0,2,0,0,0,0|1,0,0]=3 2843 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [0,2,0,0,0,0|1,0,0]=3 2844 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [0,2,0,0,0,0|1,0,0]=3 2845 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [0,2,0,0,0,0|1,0,0]=3 2846 B7R0.1 COCCCCOC 34a_100000740925_200000210301 [0,2,0,0,0,0|0,0,0]=2 2847 B7R0.1 COCCCCOC 34a_100138415774_100000755781 [0,2,0,0,0,0|0,0,0]=2 2848 B7R0.1 COCCCCO[13CH3] 34a_100000740925_200025704644 [0,2,0,0,0,0|0,0,0]=2 2849 B7R0.1 COCCCCSC 34a_100011217163_200000210301 [0,2,0,0,0,0|0,1,0]=3 2850 B7R0.1 COCCCCSC 62a_100000730899_200000210301 [0,2,0,0,0,0|0,1,0]=3 2851 B7R0.1 COCCCCSC 62a_200000210301_100000730899 [0,2,0,0,0,0|0,1,0]=3 2852 B7R0.1 COCCCCSC 7a_100011217163_200000210301 [0,2,0,0,0,0|0,1,0]=3 2853 B7R0.1 COCCCCS[13CH3] 62a_100000730899_200025704644 [0,2,0,0,0,0|0,1,0]=3 2854 B7R0.1 COCCCCS[13CH3] 62a_200025704644_100000730899 [0,2,0,0,0,0|0,1,0]=3 2855 B7R0.1 COCCCNCF 34a_100150723488_100015361967 [0,2,0,0,0,0|1,0,0]=3 2856 B7R0.1 COCCCOCF 34a_100000740835_100015361967 [0,2,0,0,0,0|0,0,0]=2 2857 B7R0.1 COCCCSCF 62a_100000709357_100015361967 [0,2,0,0,0,0|0,1,0]=3 2858 B7R0.1 COCCCSCF 62a_100015361967_100000709357 [0,2,0,0,0,0|0,1,0]=3 2859 B7R0.1 COCCNCC#N 2230a_100000209980_100011215382 [0,2,0,0,0,0|1,0,0]=3 2860 B7R0.1 COCCNCC=O 2230a_100000209980_200015260668 [0,2,0,0,0,0|1,0,0]=3 2861 B7R0.1 COCCNCCF 2230a_100000209980_100011217306 [0,2,0,0,0,0|1,0,0]=3 2862 B7R0.1 COCCNCCF 34a_100000724931_100011201679 [0,2,0,0,0,0|1,0,0]=3 2863 B7R0.1 COCCNCCO 2230a_100000209980_100000211926 [0,2,0,0,0,0|1,0,0]=3 2864 B7R0.1 COCCNCCO 2230a_100016997473_100011201679 [0,2,0,0,0,0|1,0,0]=3 2865 B7R0.1 COCCNCCO 34a_100016990907_100011201679 [0,2,0,0,0,0|1,0,0]=3 2866 B7R0.1 COCCNCOC 2230a_100000209980_100000766300 [0,2,0,0,0,0|0,0,0]=2 2867 B7R0.1 COCCNCSC 2230a_100000209980_100011218213 [0,2,0,0,0,0|0,1,0]=3 2868 B7R0.1 COCCOCC=O 34a_100000210237_200009817547 [0,2,0,0,0,0|0,0,0]=2 2869 B7R0.1 COCCOCCBr 34a_100000211926_100011201679 [0,2,0,0,0,0|0,0,0]=2 2870 B7R0.1 COCCOCCBr 34a_100000692535_200000210301 [0,2,0,0,0,0|0,0,0]=2 2871 B7R0.1 COCCOCCBr 7a_100000692535_200000210301 [0,2,0,0,0,0|0,0,0]=2 2872 B7R0.1 COCCOCCCl 34a_100011215305_200000210301 [0,2,0,0,0,0|0,0,0]=2 2873 B7R0.1 COCCOCCCl 7a_100011215305_200000210301 [0,2,0,0,0,0|0,0,0]=2 2874 B7R0.1 COCCOCCF 34a_100000210237_100011217306 [0,2,0,0,0,0|0,0,0]=2 2875 B7R0.1 COCCOCCF 34a_200015357709_200000210301 [0,2,0,0,0,0|0,0,0]=2 2876 B7R0.1 COCCOCCF 7a_200015357709_200000210301 [0,2,0,0,0,0|0,0,0]=2 2877 B7R0.1 COCCOCCI 34a_100012149058_200000210301 [0,2,0,0,0,0|0,0,0]=2 2878 B7R0.1 COCCOCCI 7a_100012149058_200000210301 [0,2,0,0,0,0|0,0,0]=2 2879 B7R0.1 COCCOCCN 34a_100000210304_100011201679 [0,2,0,0,0,0|0,0,0]=2 2880 B7R0.1 COCCOCCN 34a_100000211614_200000210301 [0,2,0,0,0,0|0,0,0]=2 2881 B7R0.1 COCCOCCO 34a_100000210237_100000211926 [0,2,0,0,0,0|0,0,0]=2 2882 B7R0.1 COCCOCCO 34a_100138415774_100000692535 [0,2,0,0,0,0|0,0,0]=2 2883 B7R0.1 COCCOCSC 34a_100000210237_100011218213 [0,2,0,0,0,0|0,0,0]=2 2884 B7R0.1 COCCOCSC 62a_100000231047_200000210301 [0,2,0,0,0,0|0,0,0]=2 2885 B7R0.1 COCCOCSC 62a_200000210301_100000231047 [0,2,0,0,0,0|0,0,0]=2 2886 B7R0.1 COCCOCS[13CH3] 62a_100000231047_200025704644 [0,2,0,0,0,0|0,0,0]=2 2887 B7R0.1 COCCOCS[13CH3] 62a_200025704644_100000231047 [0,2,0,0,0,0|0,0,0]=2 2888 B7R0.1 COCCSCC#N 62a_100000233755_100011215382 [0,2,0,0,0,0|0,1,0]=3 2889 B7R0.1 COCCSCC#N 62a_100011215382_100000233755 [0,2,0,0,0,0|0,1,0]=3 2890 B7R0.1 COCCSCC=O 62a_100000233755_200015260668 [0,2,0,0,0,0|0,1,0]=3 2891 B7R0.1 COCCSCC=O 62a_200015260668_100000233755 [0,2,0,0,0,0|0,1,0]=3 2892 B7R0.1 COCCSCCF 62a_100000233755_100011217306 [0,2,0,0,0,0|0,1,0]=3 2893 B7R0.1 COCCSCCF 62a_100011217306_100000233755 [0,2,0,0,0,0|0,1,0]=3 2894 B7R0.1 COCCSCCO 62a_100000211926_100000233755 [0,2,0,0,0,0|0,1,0]=3 2895 B7R0.1 COCCSCCO 62a_100000233755_100000211926 [0,2,0,0,0,0|0,1,0]=3 2896 B7R0.1 COCCSCOC 62a_100000233755_100000766300 [0,2,0,0,0,0|0,0,0]=2 2897 B7R0.1 COCCSCOC 62a_100000766300_100000233755 [0,2,0,0,0,0|0,0,0]=2 2898 B7R0.1 COCCSCSC 62a_100000233755_100011218213 [0,2,0,0,0,0|0,1,0]=3 2899 B7R0.1 COCCSCSC 62a_100011218213_100000233755 [0,2,0,0,0,0|0,1,0]=3 2900 B7R0.1 COCNCCCF 2230a_100015189416_100000766300 [0,2,0,0,0,0|1,0,0]=3 2901 B7R0.1 COCNCCSC 2230a_100020590264_100000766300 [0,2,0,0,0,0|0,1,0]=3 2902 B7R0.1 COCSCCC#N 62a_100000766300_100011215226 [0,2,0,0,0,0|1,0,1]=4 2903 B7R0.1 COCSCCC#N 62a_100011215226_100000766300 [0,2,0,0,0,0|1,0,1]=4 2904 B7R0.1 COCSCCCF 62a_100000766300_100011934791 [0,2,0,0,0,0|1,0,0]=3 2905 B7R0.1 COCSCCCF 62a_100011934791_100000766300 [0,2,0,0,0,0|1,0,0]=3 2906 B7R0.1 COCSCCCO 62a_100000766300_100011215043 [0,2,0,0,0,0|1,0,0]=3 2907 B7R0.1 COCSCCCO 62a_100011215043_100000766300 [0,2,0,0,0,0|1,0,0]=3 2908 B7R0.1 COCSCCSC 62a_100000212216_100000766300 [0,2,0,0,0,0|0,1,0]=3 2909 B7R0.1 COCSCCSC 62a_100000766300_100000751147 [0,2,0,0,0,0|0,1,0]=3 2910 B7R0.1 COCSCSC#N 62a_100000211825_100000766300 [0,2,0,0,0,0|0,1,1]=4 2911 B7R0.1 COCSCSC#N 62a_100000766300_100000211825 [0,2,0,0,0,0|0,1,1]=4 2912 B7R0.1 CSCCCCC#N 62a_100011219923_200000210301 [0,2,0,0,0,0|1,1,0]=4 2913 B7R0.1 CSCCCCC#N 62a_200000210301_100000211819 [0,2,0,0,0,0|1,1,0]=4 2914 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [0,2,0,0,0,0|1,1,0]=4 2915 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [0,2,0,0,0,0|1,1,0]=4 2916 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [0,2,0,0,0,0|1,1,0]=4 2917 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [0,2,0,0,0,0|1,1,0]=4 2918 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [0,2,0,0,0,0|1,1,0]=4 2919 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [0,2,0,0,0,0|1,1,0]=4 2920 B7R0.1 CSCCCCO[13CH3] 34a_100011217163_200025704644 [0,2,0,0,0,0|0,1,0]=3 2921 B7R0.1 CSCCCCO[13CH3] 7a_100011217163_200025704644 [0,2,0,0,0,0|0,1,0]=3 2922 B7R0.1 CSCCCOCF 34a_100000690336_100015361967 [0,2,0,0,0,0|0,1,0]=3 2923 B7R0.1 CSCCCOCF 7a_100000690336_100015361967 [0,2,0,0,0,0|0,1,0]=3 2924 B7R0.1 CSCCNCC#N 2230a_100020590264_100011215382 [0,2,0,0,0,0|1,1,0]=4 2925 B7R0.1 CSCCNCC=O 2230a_100020590264_200015260668 [0,2,0,0,0,0|1,1,0]=4 2926 B7R0.1 CSCCNCCF 2230a_100020590264_100011217306 [0,2,0,0,0,0|1,1,0]=4 2927 B7R0.1 CSCCNCCF 34a_100000724931_100000212216 [0,2,0,0,0,0|1,1,0]=4 2928 B7R0.1 CSCCNCCO 2230a_100016997473_100000751147 [0,2,0,0,0,0|1,1,0]=4 2929 B7R0.1 CSCCNCCO 2230a_100020590264_100000211926 [0,2,0,0,0,0|1,1,0]=4 2930 B7R0.1 CSCCNCCO 34a_100016990907_100000212216 [0,2,0,0,0,0|1,1,0]=4 2931 B7R0.1 CSCCNCSC 2230a_100020590264_100011218213 [0,2,0,0,0,0|0,2,0]=4 2932 B7R0.1 CSCCOCC#N 62a_200000047693_200000210301 [0,2,0,0,0,0|0,1,0]=3 2933 B7R0.1 CSCCOCC#N 62a_200000210301_200000047693 [0,2,0,0,0,0|0,1,0]=3 2934 B7R0.1 CSCCOCC#N 7a_100000230434_100011215382 [0,2,0,0,0,0|0,1,0]=3 2935 B7R0.1 CSCCOCC=O 34a_100000230434_200009817547 [0,2,0,0,0,0|0,1,0]=3 2936 B7R0.1 CSCCOCC=O 7a_100000230434_200015260668 [0,2,0,0,0,0|0,1,0]=3 2937 B7R0.1 CSCCOCCBr 34a_100000211926_100000212216 [0,2,0,0,0,0|0,1,0]=3 2938 B7R0.1 CSCCOCCF 34a_100000230434_100011217306 [0,2,0,0,0,0|0,1,0]=3 2939 B7R0.1 CSCCOCCF 7a_100000230434_100011217306 [0,2,0,0,0,0|0,1,0]=3 2940 B7R0.1 CSCCOCCN 34a_100000210304_100000212216 [0,2,0,0,0,0|0,1,0]=3 2941 B7R0.1 CSCCOCCO 34a_100000230434_100000211926 [0,2,0,0,0,0|0,1,0]=3 2942 B7R0.1 CSCCOCCO 62a_100011215305_200000210301 [0,2,0,0,0,0|0,1,0]=3 2943 B7R0.1 CSCCOCCO 62a_200000210301_100011215305 [0,2,0,0,0,0|0,1,0]=3 2944 B7R0.1 CSCCOCCO 7a_100000230434_100000211926 [0,2,0,0,0,0|0,1,0]=3 2945 B7R0.1 CSCCOCSC 34a_100000230434_100011218213 [0,2,0,0,0,0|0,1,0]=3 2946 B7R0.1 CSCCSCC#N 62a_100000212216_100011215382 [0,2,0,0,0,0|0,2,0]=4 2947 B7R0.1 CSCCSCC#N 62a_100011215382_100000751147 [0,2,0,0,0,0|0,2,0]=4 2948 B7R0.1 CSCCSCC=O 62a_100000212216_200015260668 [0,2,0,0,0,0|0,2,0]=4 2949 B7R0.1 CSCCSCC=O 62a_200015260668_100000751147 [0,2,0,0,0,0|0,2,0]=4 2950 B7R0.1 CSCCSCCF 62a_100000212216_100011217306 [0,2,0,0,0,0|0,2,0]=4 2951 B7R0.1 CSCCSCCF 62a_100011217306_100000751147 [0,2,0,0,0,0|0,2,0]=4 2952 B7R0.1 CSCCSCCO 62a_100000211926_100000751147 [0,2,0,0,0,0|0,2,0]=4 2953 B7R0.1 CSCCSCCO 62a_100000212216_100000211926 [0,2,0,0,0,0|0,2,0]=4 2954 B7R0.1 CSCCSCSC 62a_100000212216_100011218213 [0,2,0,0,0,0|0,2,0]=4 2955 B7R0.1 CSCCSCSC 62a_100011218213_100000751147 [0,2,0,0,0,0|0,2,0]=4 2956 B7R0.1 CSCNCCCF 2230a_100015189416_100011218213 [0,2,0,0,0,0|1,1,0]=4 2957 B7R0.1 CSCNCCCF 34a_100015189416_100011218213 [0,2,0,0,0,0|1,1,0]=4 2958 B7R0.1 CSCOCCCBr 34a_100011217188_100011218213 [0,2,0,0,0,0|1,1,0]=4 2959 B7R0.1 CSCOCCCCl 34a_100000230001_100011218213 [0,2,0,0,0,0|1,1,0]=4 2960 B7R0.1 CSCOCCCF 34a_100000759539_100011218213 [0,2,0,0,0,0|1,1,0]=4 2961 B7R0.1 CSCOCCCN 34a_100000182051_100011218213 [0,2,0,0,0,0|1,1,0]=4 2962 B7R0.1 CSCOCCON 34a_100000700252_100011218213 [0,2,0,0,0,0|1,0,0]=3 2963 B7R0.1 CSCSCCCF 62a_100011218213_100011934791 [0,2,0,0,0,0|1,1,0]=4 2964 B7R0.1 CSCSCCCF 62a_100011934791_100011218213 [0,2,0,0,0,0|1,1,0]=4 2965 B7R0.1 CSCSCCCO 62a_100011215043_100011218213 [0,2,0,0,0,0|1,1,0]=4 2966 B7R0.1 CSCSCCCO 62a_100011218213_100011215043 [0,2,0,0,0,0|1,1,0]=4 2967 B7R0.1 FCCCCOCF 34a_100011995726_100015361967 [0,2,0,0,0,0|1,0,0]=3 2968 B7R0.1 FCCCCOCF 7a_100011995726_100015361967 [0,2,0,0,0,0|1,0,0]=3 2969 B7R0.1 FCCCCSCF 62a_100000729493_100015361967 [0,2,0,0,0,0|1,1,0]=4 2970 B7R0.1 FCCCCSCF 62a_100015361967_100000729493 [0,2,0,0,0,0|1,1,0]=4 2971 B7R0.1 FCCCOCCBr 34a_100000211926_100011934791 [0,2,0,0,0,0|2,0,0]=4 2972 B7R0.1 FCCCOCCF 34a_100000759539_100011217306 [0,2,0,0,0,0|2,0,0]=4 2973 B7R0.1 FCCOCCCBr 34a_100011217188_100011217306 [0,2,0,0,0,0|2,0,0]=4 2974 B7R0.1 FCCOCCCCl 34a_100000230001_100011217306 [0,2,0,0,0,0|2,0,0]=4 2975 B7R0.1 FCOCC#CCCl 34a_200000047223_100015361967 [0,2,0,0,0,0|1,0,1]=4 2976 B7R0.1 FCOCCCCBr 34a_100011216708_100015361967 [0,2,0,0,0,0|1,0,0]=3 2977 B7R0.1 FCOCCCCCl 34a_100000210776_100015361967 [0,2,0,0,0,0|1,0,0]=3 2978 B7R0.1 FCOCCCCCl 7a_100000210776_100015361967 [0,2,0,0,0,0|1,0,0]=3 2979 B7R0.1 FCOCCCCI 34a_200012148704_100015361967 [0,2,0,0,0,0|1,0,0]=3 2980 B7R0.1 NCCCCOCF 34a_100000750430_100015361967 [0,2,0,0,0,0|1,0,0]=3 2981 B7R0.1 NCCCOCC=O 34a_100000182051_200009817547 [0,2,0,0,0,0|2,0,0]=4 2982 B7R0.1 NCCCOCCF 34a_100000182051_100011217306 [0,2,0,0,0,0|2,0,0]=4 2983 B7R0.1 NCCCOCCO 34a_100000182051_100000211926 [0,2,0,0,0,0|2,0,0]=4 2984 B7R0.1 NCCOCCCF 34a_100000210304_100011934791 [0,2,0,0,0,0|2,0,0]=4 2985 B7R0.1 NCCOCCCO 34a_100000210304_100000230001 [0,2,0,0,0,0|2,0,0]=4 2986 B7R0.1 NOCCOCC=O 34a_100000700252_200009817547 [0,2,0,0,0,0|1,0,0]=3 2987 B7R0.1 NOCCOCCF 34a_100000700252_100011217306 [0,2,0,0,0,0|1,0,0]=3 2988 B7R0.1 NOCCOCCO 34a_100000700252_100000211926 [0,2,0,0,0,0|1,0,0]=3 2989 B7R0.1 O=CCOCCCBr 34a_100011217188_200009817547 [0,2,0,0,0,0|2,0,0]=4 2990 B7R0.1 O=CCOCCCCl 34a_100000230001_200009817547 [0,2,0,0,0,0|2,0,0]=4 2991 B7R0.1 O=CCOCCCF 34a_100000759539_200009817547 [0,2,0,0,0,0|2,0,0]=4 2992 B7R0.1 OCCCCNCF 34a_100000750430_100015361967 [0,2,0,0,0,0|2,0,0]=4 2993 B7R0.1 OCCCCSCF 62a_100000210776_100015361967 [0,2,0,0,0,0|1,1,0]=4 2994 B7R0.1 OCCCCSCF 62a_100015361967_100000210776 [0,2,0,0,0,0|1,1,0]=4 2995 B7R0.1 OCCCOCCBr 34a_100000211926_100000230001 [0,2,0,0,0,0|2,0,0]=4 2996 B7R0.1 OCCOCCCBr 34a_100011217188_100000211926 [0,2,0,0,0,0|2,0,0]=4 2997 B7R0.1 OCCOCCCCl 34a_100000230001_100000211926 [0,2,0,0,0,0|2,0,0]=4 2998 B7R0.1 OCCOCCCF 34a_100000759539_100000211926 [0,2,0,0,0,0|2,0,0]=4 2999 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [0,2,0,0,0,0|2,0,0]=4 3000 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [0,2,0,0,0,0|2,0,0]=4 3001 B7R0.1 [13CH3]NCCOCCO 2230a_100000211614_200025704644 [0,2,0,0,0,0|1,0,0]=3 3002 B7R0.1 [13CH3]NCCOCCO 34a_100000211614_200025704644 [0,2,0,0,0,0|1,0,0]=3 3003 B7R0.1 [13CH3]NCCSCCO 2230a_100011219999_200025704644 [0,2,0,0,0,0|1,1,0]=4 3004 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [0,2,0,0,0,0|1,0,0]=3 3005 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [0,2,0,0,0,0|1,0,0]=3 3006 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [0,2,0,0,0,0|1,0,0]=3 3007 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [0,2,0,0,0,0|1,0,0]=3 3008 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [0,2,0,0,0,0|1,0,0]=3 3009 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [0,2,0,0,0,0|1,0,0]=3 3010 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [0,2,0,0,0,0|1,0,0]=3 3011 B7R0.1 [13CH3]OCCOCCBr 34a_100000692535_200025704644 [0,2,0,0,0,0|0,0,0]=2 3012 B7R0.1 [13CH3]OCCOCCBr 7a_100000692535_200025704644 [0,2,0,0,0,0|0,0,0]=2 3013 B7R0.1 [13CH3]OCCOCCCl 34a_100011215305_200025704644 [0,2,0,0,0,0|0,0,0]=2 3014 B7R0.1 [13CH3]OCCOCCCl 7a_100011215305_200025704644 [0,2,0,0,0,0|0,0,0]=2 3015 B7R0.1 [13CH3]OCCOCCF 34a_200015357709_200025704644 [0,2,0,0,0,0|0,0,0]=2 3016 B7R0.1 [13CH3]OCCOCCF 7a_200015357709_200025704644 [0,2,0,0,0,0|0,0,0]=2 3017 B7R0.1 [13CH3]OCCOCCI 34a_100012149058_200025704644 [0,2,0,0,0,0|0,0,0]=2 3018 B7R0.1 [13CH3]OCCOCCI 7a_100012149058_200025704644 [0,2,0,0,0,0|0,0,0]=2 3019 B7R0.1 [13CH3]OCCOCCN 34a_100000211614_200025704644 [0,2,0,0,0,0|0,0,0]=2 3020 B7R0.1 [13CH3]SCCCCC#N 62a_100011219923_200025704644 [0,2,0,0,0,0|1,1,0]=4 3021 B7R0.1 [13CH3]SCCCCC#N 62a_200025704644_100000211819 [0,2,0,0,0,0|1,1,0]=4 3022 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [0,2,0,0,0,0|1,1,0]=4 3023 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [0,2,0,0,0,0|1,1,0]=4 3024 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [0,2,0,0,0,0|1,1,0]=4 3025 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [0,2,0,0,0,0|1,1,0]=4 3026 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [0,2,0,0,0,0|1,1,0]=4 3027 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [0,2,0,0,0,0|1,1,0]=4 3028 B7R0.1 [13CH3]SCCOCC#N 62a_200000047693_200025704644 [0,2,0,0,0,0|0,1,0]=3 3029 B7R0.1 [13CH3]SCCOCC#N 62a_200025704644_200000047693 [0,2,0,0,0,0|0,1,0]=3 3030 B7R0.1 [13CH3]SCCOCCO 62a_100011215305_200025704644 [0,2,0,0,0,0|0,1,0]=3 3031 B7R0.1 [13CH3]SCCOCCO 62a_200025704644_100011215305 [0,2,0,0,0,0|0,1,0]=3 3032 B5R1.2 CN1CCC1 269982a_100000754969_200000210301 [1,0,0,1,0,0|1,0,0]=3 3033 B5R1.2 [13CH3]N1CCC1 269982a_100000754969_200025704644 [1,0,0,1,0,0|1,0,0]=3 3034 B5R1.3 CNC1CC1 34a_100000212008_200000210301 [1,0,0,1,0,0|1,0,0]=3 3035 B5R1.3 CNC1CC1 34a_100102657272_100000211595 [1,0,0,1,0,0|1,0,0]=3 3036 B5R1.3 COC1CC1 34a_100138415774_100000211595 [1,0,0,1,0,0|0,0,0]=2 3037 B5R1.3 CSC1CC1 62a_200000210301_100000211595 [1,0,0,1,0,0|0,1,0]=3 3038 B5R1.3 [13CH3]NC1CC1 34a_100000212008_200025704644 [1,0,0,1,0,0|1,0,0]=3 3039 B5R1.3 [13CH3]SC1CC1 62a_200025704644_100000211595 [1,0,0,1,0,0|0,1,0]=3 3040 B7R1.1 CCN1CCCC1 2230a_100000188435_100000210202 [0,1,0,1,0,0|2,0,0]=4 3041 B7R1.1 CCN1CCCC1 269982a_100000188435_100000204670 [0,1,0,1,0,0|2,0,0]=4 3042 B7R1.1 CCN1CCSC1 2230a_100011215254_100000210202 [0,1,0,1,0,0|1,1,0]=4 3043 B7R1.1 CCN1CCSC1 269982a_100011215254_100000204670 [0,1,0,1,0,0|1,1,0]=4 3044 B7R1.1 CNC1CC=CC1 2230a_100015188752_200000210301 [0,1,0,1,0,0|2,0,0]=4 3045 B7R1.1 CNC1CCCC1 2230a_100000211070_200000210301 [0,1,0,1,0,0|2,0,0]=4 3046 B7R1.1 CNC1CCCC1 2230a_106832991635_100000179811 [0,1,0,1,0,0|2,0,0]=4 3047 B7R1.1 CNC1CCCC1 270004a_106832991635_100000210133 [0,1,0,1,0,0|2,0,0]=4 3048 B7R1.1 CNC1CCCC1 34a_100000211070_200000210301 [0,1,0,1,0,0|2,0,0]=4 3049 B7R1.1 CNC1CCCC1 34a_100102657272_100000179811 [0,1,0,1,0,0|2,0,0]=4 3050 B7R1.1 CNC1CCCC1 7a_106832991635_100000179811 [0,1,0,1,0,0|2,0,0]=4 3051 B7R1.1 CNC1CCOC1 2230a_106832991635_100000731011 [0,1,0,1,0,0|1,0,0]=3 3052 B7R1.1 CNC1CCOC1 270004a_106832991635_100000752484 [0,1,0,1,0,0|1,0,0]=3 3053 B7R1.1 CNC1CCOC1 34a_100102657272_100000690089 [0,1,0,1,0,0|1,0,0]=3 3054 B7R1.1 CNC1CCOC1 7a_106832991635_100000731011 [0,1,0,1,0,0|1,0,0]=3 3055 B7R1.1 CNC1CCSC1 270004a_106832991635_100000212027 [0,1,0,1,0,0|1,1,0]=4 3056 B7R1.1 CN[C@@H]1CCOC1 2230a_200015188469_200000210301 [0,1,0,1,0,0|1,0,0]=3 3057 B7R1.1 CN[C@H]1CCOC1 2230a_100015188467_200000210301 [0,1,0,1,0,0|1,0,0]=3 3058 B7R1.1 CN[C@H]1CCOC1 34a_100015188467_200000210301 [0,1,0,1,0,0|1,0,0]=3 3059 B7R1.1 COC1CCCC1 34a_100000210269_200000210301 [0,1,0,1,0,0|1,0,0]=3 3060 B7R1.1 COC1CCCC1 34a_100138415774_100000179811 [0,1,0,1,0,0|1,0,0]=3 3061 B7R1.1 COC1CCCC1 7a_100000210269_200000210301 [0,1,0,1,0,0|1,0,0]=3 3062 B7R1.1 COC1CCCO1 34a_100000085407_200000210301 [0,1,0,1,0,0|1,0,0]=3 3063 B7R1.1 COC1CCOC1 34a_100138415774_100000690089 [0,1,0,1,0,0|0,0,0]=2 3064 B7R1.1 COC1CCSC1 7a_100011232664_200000210301 [0,1,0,1,0,0|0,1,0]=3 3065 B7R1.1 CO[C@H]1CCOC1 34a_100000717292_200000210301 [0,1,0,1,0,0|0,0,0]=2 3066 B7R1.1 CSC1CCCC1 62a_100011217020_200000210301 [0,1,0,1,0,0|1,1,0]=4 3067 B7R1.1 CSC1CCCC1 62a_200000210301_100000179811 [0,1,0,1,0,0|1,1,0]=4 3068 B7R1.1 CSC1CCOC1 62a_200000210301_100000690089 [0,1,0,1,0,0|0,1,0]=3 3069 B7R1.1 FCN1CCCC1 269982a_100000188435_100015361967 [0,1,0,1,0,0|2,0,0]=4 3070 B7R1.1 FCN1CCSC1 269982a_100011215254_100015361967 [0,1,0,1,0,0|1,1,0]=4 3071 B7R1.1 [13CH3]NC1CC=CC1 2230a_100015188752_200025704644 [0,1,0,1,0,0|2,0,0]=4 3072 B7R1.1 [13CH3]NC1CCCC1 2230a_100000211070_200025704644 [0,1,0,1,0,0|2,0,0]=4 3073 B7R1.1 [13CH3]NC1CCCC1 34a_100000211070_200025704644 [0,1,0,1,0,0|2,0,0]=4 3074 B7R1.1 [13CH3]N[C@@H]1CCOC1 2230a_200015188469_200025704644 [0,1,0,1,0,0|1,0,0]=3 3075 B7R1.1 [13CH3]N[C@H]1CCOC1 2230a_100015188467_200025704644 [0,1,0,1,0,0|1,0,0]=3 3076 B7R1.1 [13CH3]N[C@H]1CCOC1 34a_100015188467_200025704644 [0,1,0,1,0,0|1,0,0]=3 3077 B7R1.1 [13CH3]OC1CCCC1 34a_100000210269_200025704644 [0,1,0,1,0,0|1,0,0]=3 3078 B7R1.1 [13CH3]OC1CCCC1 7a_100000210269_200025704644 [0,1,0,1,0,0|1,0,0]=3 3079 B7R1.1 [13CH3]OC1CCCO1 34a_100000085407_200025704644 [0,1,0,1,0,0|1,0,0]=3 3080 B7R1.1 [13CH3]OC1CCSC1 7a_100011232664_200025704644 [0,1,0,1,0,0|0,1,0]=3 3081 B7R1.1 [13CH3]O[C@H]1CCOC1 34a_100000717292_200025704644 [0,1,0,1,0,0|0,0,0]=2 3082 B7R1.1 [13CH3]SC1CCCC1 62a_100011217020_200025704644 [0,1,0,1,0,0|1,1,0]=4 3083 B7R1.1 [13CH3]SC1CCCC1 62a_200025704644_100000179811 [0,1,0,1,0,0|1,1,0]=4 3084 B7R1.1 [13CH3]SC1CCOC1 62a_200025704644_100000690089 [0,1,0,1,0,0|0,1,0]=3 3085 B7R1.2 CN1CCC(C1)O 2230a_100011215560_200000210301 [0,1,0,1,0,0|2,0,0]=4 3086 B7R1.2 CN1CCC(C1)O 269982a_100011215560_200000210301 [0,1,0,1,0,0|2,0,0]=4 3087 B7R1.2 CN1CC[C@@H](C1)F 2230a_100015203821_200000210301 [0,1,0,1,0,0|2,0,0]=4 3088 B7R1.2 CN1CC[C@@H](C1)F 269982a_100015203821_200000210301 [0,1,0,1,0,0|2,0,0]=4 3089 B7R1.2 CN1CC[C@@H](C1)F 34a_100015203821_200000210301 [0,1,0,1,0,0|2,0,0]=4 3090 B7R1.2 C[C@@H]1CCN(C1)C 2230a_100016987628_200000210301 [0,1,0,1,0,0|2,0,0]=4 3091 B7R1.2 C[C@@H]1CCN(C1)C 269982a_100016987628_200000210301 [0,1,0,1,0,0|2,0,0]=4 3092 B7R1.2 C[C@@H]1CCN(C1)C 34a_100016987628_200000210301 [0,1,0,1,0,0|2,0,0]=4 3093 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 2230a_100016987628_200025704644 [0,1,0,1,0,0|2,0,0]=4 3094 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 269982a_100016987628_200025704644 [0,1,0,1,0,0|2,0,0]=4 3095 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 34a_100016987628_200025704644 [0,1,0,1,0,0|2,0,0]=4 3096 B7R1.2 [13CH3]N1CCC(C1)O 2230a_100011215560_200025704644 [0,1,0,1,0,0|2,0,0]=4 3097 B7R1.2 [13CH3]N1CCC(C1)O 269982a_100011215560_200025704644 [0,1,0,1,0,0|2,0,0]=4 3098 B7R1.2 [13CH3]N1CC[C@@H](C1)F 2230a_100015203821_200025704644 [0,1,0,1,0,0|2,0,0]=4 3099 B7R1.2 [13CH3]N1CC[C@@H](C1)F 269982a_100015203821_200025704644 [0,1,0,1,0,0|2,0,0]=4 3100 B7R1.2 [13CH3]N1CC[C@@H](C1)F 34a_100015203821_200025704644 [0,1,0,1,0,0|2,0,0]=4 3101 B7R1.3 CN1CC=CCC1 2230a_100000698166_200000210301 [0,1,0,1,0,0|2,0,0]=4 3102 B7R1.3 CN1CC=CCC1 269982a_100000698166_200000210301 [0,1,0,1,0,0|2,0,0]=4 3103 B7R1.3 CN1CC=CCC1 34a_100000698166_200000210301 [0,1,0,1,0,0|2,0,0]=4 3104 B7R1.3 CN1CCCOC1 2230a_100000131196_200000210301 [0,1,0,1,0,0|1,0,0]=3 3105 B7R1.3 CN1CCCOC1 269982a_100000131196_200000210301 [0,1,0,1,0,0|1,0,0]=3 3106 B7R1.3 CN1CCCOC1 34a_100000131196_200000210301 [0,1,0,1,0,0|1,0,0]=3 3107 B7R1.3 CN1CCOCC1 2230a_100015191051_200000210301 [0,1,0,1,0,0|1,0,0]=3 3108 B7R1.3 CN1CCOCC1 269982a_100015191051_200000210301 [0,1,0,1,0,0|1,0,0]=3 3109 B7R1.3 CN1CCOCC1 34a_100015191051_200000210301 [0,1,0,1,0,0|1,0,0]=3 3110 B7R1.3 CN1CCSCC1 2230a_100000737611_200000210301 [0,1,0,1,0,0|1,1,0]=4 3111 B7R1.3 CN1CCSCC1 269982a_100000737611_200000210301 [0,1,0,1,0,0|1,1,0]=4 3112 B7R1.3 [13CH3]N1CC=CCC1 2230a_100000698166_200025704644 [0,1,0,1,0,0|2,0,0]=4 3113 B7R1.3 [13CH3]N1CC=CCC1 269982a_100000698166_200025704644 [0,1,0,1,0,0|2,0,0]=4 3114 B7R1.3 [13CH3]N1CC=CCC1 34a_100000698166_200025704644 [0,1,0,1,0,0|2,0,0]=4 3115 B7R1.3 [13CH3]N1CCCOC1 2230a_100000131196_200025704644 [0,1,0,1,0,0|1,0,0]=3 3116 B7R1.3 [13CH3]N1CCCOC1 269982a_100000131196_200025704644 [0,1,0,1,0,0|1,0,0]=3 3117 B7R1.3 [13CH3]N1CCCOC1 34a_100000131196_200025704644 [0,1,0,1,0,0|1,0,0]=3 3118 B7R1.3 [13CH3]N1CCOCC1 2230a_100015191051_200025704644 [0,1,0,1,0,0|1,0,0]=3 3119 B7R1.3 [13CH3]N1CCOCC1 269982a_100015191051_200025704644 [0,1,0,1,0,0|1,0,0]=3 3120 B7R1.3 [13CH3]N1CCOCC1 34a_100015191051_200025704644 [0,1,0,1,0,0|1,0,0]=3 3121 B7R1.3 [13CH3]N1CCSCC1 2230a_100000737611_200025704644 [0,1,0,1,0,0|1,1,0]=4 3122 B7R1.3 [13CH3]N1CCSCC1 269982a_100000737611_200025704644 [0,1,0,1,0,0|1,1,0]=4 3123 B7R1.4 CC1SCCN1C 2230a_200011216479_200000210301 [0,1,0,1,0,0|1,1,0]=4 3124 B7R1.4 CC1SCCN1C 269982a_200011216479_200000210301 [0,1,0,1,0,0|1,1,0]=4 3125 B7R1.4 CC1SCCN1C 34a_200011216479_200000210301 [0,1,0,1,0,0|1,1,0]=4 3126 B7R1.4 CC1SCCN1[13CH3] 2230a_200011216479_200025704644 [0,1,0,1,0,0|1,1,0]=4 3127 B7R1.4 CC1SCCN1[13CH3] 269982a_200011216479_200025704644 [0,1,0,1,0,0|1,1,0]=4 3128 B7R1.4 CC1SCCN1[13CH3] 34a_200011216479_200025704644 [0,1,0,1,0,0|1,1,0]=4 3129 B7R1.4 C[C@@H]1CCCN1C 2230a_100015189458_200000210301 [0,1,0,1,0,0|2,0,0]=4 3130 B7R1.4 C[C@@H]1CCCN1C 269982a_100015189458_200000210301 [0,1,0,1,0,0|2,0,0]=4 3131 B7R1.4 C[C@@H]1CCCN1C 34a_100015189458_200000210301 [0,1,0,1,0,0|2,0,0]=4 3132 B7R1.4 C[C@@H]1CCCN1[13CH3] 2230a_100015189458_200025704644 [0,1,0,1,0,0|2,0,0]=4 3133 B7R1.4 C[C@@H]1CCCN1[13CH3] 269982a_100015189458_200025704644 [0,1,0,1,0,0|2,0,0]=4 3134 B7R1.4 C[C@@H]1CCCN1[13CH3] 34a_100015189458_200025704644 [0,1,0,1,0,0|2,0,0]=4 3135 B7R1.4 C[C@H]1CCCN1C 2230a_100020605311_200000210301 [0,1,0,1,0,0|2,0,0]=4 3136 B7R1.4 C[C@H]1CCCN1C 269982a_100020605311_200000210301 [0,1,0,1,0,0|2,0,0]=4 3137 B7R1.4 C[C@H]1CCCN1[13CH3] 2230a_100020605311_200025704644 [0,1,0,1,0,0|2,0,0]=4 3138 B7R1.4 C[C@H]1CCCN1[13CH3] 269982a_100020605311_200025704644 [0,1,0,1,0,0|2,0,0]=4 3139 B7R1.5 CC1CC1CO[13CH3] 34a_100000744939_200025704644 [0,1,0,1,0,0|1,0,0]=3 3140 B7R1.5 CC1CC1CO[13CH3] 7a_100000744939_200025704644 [0,1,0,1,0,0|1,0,0]=3 3141 B7R1.5 COCC1CC1C 34a_100000744939_200000210301 [0,1,0,1,0,0|1,0,0]=3 3142 B7R1.5 COCC1CC1C 7a_100000744939_200000210301 [0,1,0,1,0,0|1,0,0]=3 3143 B7R1.6 CCCN1CCC1 269982a_100000754969_100000210303 [0,1,0,1,0,0|2,0,0]=4 3144 B7R1.6 CCNC1CCC1 2230a_100000749019_100000210202 [0,1,0,1,0,0|2,0,0]=4 3145 B7R1.6 CCNC1CCC1 270004a_100015525214_100000241760 [0,1,0,1,0,0|2,0,0]=4 3146 B7R1.6 CCNC1CCC1 34a_100000749019_100000210202 [0,1,0,1,0,0|2,0,0]=4 3147 B7R1.6 CCNC1COC1 2230a_100016991112_100000210202 [0,1,0,1,0,0|1,0,0]=3 3148 B7R1.6 CCOC1CCC1 34a_100000748187_100000210202 [0,1,0,1,0,0|1,0,0]=3 3149 B7R1.6 CCOC1CCC1 34a_100121572206_100000749161 [0,1,0,1,0,0|1,0,0]=3 3150 B7R1.6 CCOC1COC1 34a_100121572206_100009818527 [0,1,0,1,0,0|0,0,0]=2 3151 B7R1.6 CCOC1CSC1 7a_100000072292_100000210202 [0,1,0,1,0,0|0,1,0]=3 3152 B7R1.6 CCSC1CCC1 62a_100000210202_100000749161 [0,1,0,1,0,0|1,1,0]=4 3153 B7R1.6 CCSC1COC1 62a_100000210202_100009818527 [0,1,0,1,0,0|0,1,0]=3 3154 B7R1.6 CNCC1CCC1 2230a_100000738700_200000210301 [0,1,0,1,0,0|2,0,0]=4 3155 B7R1.6 CNCC1CCC1 2230a_106832991635_100000763275 [0,1,0,1,0,0|2,0,0]=4 3156 B7R1.6 CNCC1CCC1 269862a_106832991636_100000753134 [0,1,0,1,0,0|2,0,0]=4 3157 B7R1.6 CNCC1CCC1 34a_100000738700_200000210301 [0,1,0,1,0,0|2,0,0]=4 3158 B7R1.6 CNCC1CCC1 34a_100102657272_100000763275 [0,1,0,1,0,0|2,0,0]=4 3159 B7R1.6 CNCC1CCC1 7a_106832991635_100000763275 [0,1,0,1,0,0|2,0,0]=4 3160 B7R1.6 CNCC1CCO1 2230a_106832991635_100000103362 [0,1,0,1,0,0|1,0,0]=3 3161 B7R1.6 CNCC1CCO1 34a_100102657272_100000103362 [0,1,0,1,0,0|1,0,0]=3 3162 B7R1.6 CNCC1CCO1 7a_106832991635_100000103362 [0,1,0,1,0,0|1,0,0]=3 3163 B7R1.6 CNCC1COC1 2230a_100015281925_200000210301 [0,1,0,1,0,0|1,0,0]=3 3164 B7R1.6 CNCC1COC1 2230a_106832991635_100010264016 [0,1,0,1,0,0|1,0,0]=3 3165 B7R1.6 CNCC1COC1 34a_100015281925_200000210301 [0,1,0,1,0,0|1,0,0]=3 3166 B7R1.6 CNCC1COC1 34a_100102657272_100010264016 [0,1,0,1,0,0|1,0,0]=3 3167 B7R1.6 CNCC1COC1 7a_106832991635_100010264016 [0,1,0,1,0,0|1,0,0]=3 3168 B7R1.6 CNC[C@@H]1CCO1 2230a_100020831831_200000210301 [0,1,0,1,0,0|1,0,0]=3 3169 B7R1.6 CNC[C@@H]1CCO1 34a_100020831831_200000210301 [0,1,0,1,0,0|1,0,0]=3 3170 B7R1.6 COCC1CCC1 34a_100000760304_200000210301 [0,1,0,1,0,0|1,0,0]=3 3171 B7R1.6 COCC1CCC1 34a_100138415774_100000763275 [0,1,0,1,0,0|1,0,0]=3 3172 B7R1.6 COCC1CCO1 34a_100000039022_200000210301 [0,1,0,1,0,0|0,0,0]=2 3173 B7R1.6 COCC1CCO1 34a_100138415774_100000103362 [0,1,0,1,0,0|0,0,0]=2 3174 B7R1.6 COCC1CNC1 34a_100016987283_200000210301 [0,1,0,1,0,0|1,0,0]=3 3175 B7R1.6 COCC1COC1 34a_100000060846_200000210301 [0,1,0,1,0,0|0,0,0]=2 3176 B7R1.6 COCC1COC1 34a_100138415774_100010264016 [0,1,0,1,0,0|0,0,0]=2 3177 B7R1.6 COCN1CCC1 269982a_100000754969_100000766300 [0,1,0,1,0,0|1,0,0]=3 3178 B7R1.6 CSCC1CCC1 62a_100000763275_200000210301 [0,1,0,1,0,0|1,1,0]=4 3179 B7R1.6 CSCC1CCC1 62a_200000210301_100000763275 [0,1,0,1,0,0|1,1,0]=4 3180 B7R1.6 CSCC1CCO1 62a_100000103362_200000210301 [0,1,0,1,0,0|0,1,0]=3 3181 B7R1.6 CSCC1CCO1 62a_200000210301_100000103362 [0,1,0,1,0,0|0,1,0]=3 3182 B7R1.6 CSCC1COC1 62a_100010264016_200000210301 [0,1,0,1,0,0|0,1,0]=3 3183 B7R1.6 CSCC1COC1 62a_200000210301_100010264016 [0,1,0,1,0,0|0,1,0]=3 3184 B7R1.6 CSCN1CCC1 269982a_100000754969_100011218213 [0,1,0,1,0,0|1,1,0]=4 3185 B7R1.6 FCNC1CCC1 34a_100000749019_100015361967 [0,1,0,1,0,0|2,0,0]=4 3186 B7R1.6 FCOC1CCC1 34a_100000748187_100015361967 [0,1,0,1,0,0|1,0,0]=3 3187 B7R1.6 FCOC1CSC1 7a_100000072292_100015361967 [0,1,0,1,0,0|0,1,0]=3 3188 B7R1.6 FCSC1CCC1 62a_100015361967_100000749161 [0,1,0,1,0,0|1,1,0]=4 3189 B7R1.6 FCSC1COC1 62a_100015361967_100009818527 [0,1,0,1,0,0|0,1,0]=3 3190 B7R1.6 [13CH3]NCC1CCC1 2230a_100000738700_200025704644 [0,1,0,1,0,0|2,0,0]=4 3191 B7R1.6 [13CH3]NCC1CCC1 34a_100000738700_200025704644 [0,1,0,1,0,0|2,0,0]=4 3192 B7R1.6 [13CH3]NCC1COC1 2230a_100015281925_200025704644 [0,1,0,1,0,0|1,0,0]=3 3193 B7R1.6 [13CH3]NCC1COC1 34a_100015281925_200025704644 [0,1,0,1,0,0|1,0,0]=3 3194 B7R1.6 [13CH3]NC[C@@H]1CCO1 2230a_100020831831_200025704644 [0,1,0,1,0,0|1,0,0]=3 3195 B7R1.6 [13CH3]NC[C@@H]1CCO1 34a_100020831831_200025704644 [0,1,0,1,0,0|1,0,0]=3 3196 B7R1.6 [13CH3]OCC1CCC1 34a_100000760304_200025704644 [0,1,0,1,0,0|1,0,0]=3 3197 B7R1.6 [13CH3]OCC1CCO1 34a_100000039022_200025704644 [0,1,0,1,0,0|0,0,0]=2 3198 B7R1.6 [13CH3]OCC1CNC1 34a_100016987283_200025704644 [0,1,0,1,0,0|1,0,0]=3 3199 B7R1.6 [13CH3]OCC1COC1 34a_100000060846_200025704644 [0,1,0,1,0,0|0,0,0]=2 3200 B7R1.6 [13CH3]SCC1CCC1 62a_100000763275_200025704644 [0,1,0,1,0,0|1,1,0]=4 3201 B7R1.6 [13CH3]SCC1CCC1 62a_200025704644_100000763275 [0,1,0,1,0,0|1,1,0]=4 3202 B7R1.6 [13CH3]SCC1CCO1 62a_100000103362_200025704644 [0,1,0,1,0,0|0,1,0]=3 3203 B7R1.6 [13CH3]SCC1CCO1 62a_200025704644_100000103362 [0,1,0,1,0,0|0,1,0]=3 3204 B7R1.6 [13CH3]SCC1COC1 62a_100010264016_200025704644 [0,1,0,1,0,0|0,1,0]=3 3205 B7R1.6 [13CH3]SCC1COC1 62a_200025704644_100010264016 [0,1,0,1,0,0|0,1,0]=3 3206 B7R1.8 CC1CCN1CF 269982a_100000755817_100015361967 [0,1,0,1,0,0|2,0,0]=4 3207 B7R1.8 CC1CCN1CF 34a_100000755817_100015361967 [0,1,0,1,0,0|2,0,0]=4 3208 B7R1.8 CCN1CCC1C 269982a_100000755817_100000204670 [0,1,0,1,0,0|2,0,0]=4 3209 B7R1.8 CCN1CCC1C 34a_100000755817_100000210202 [0,1,0,1,0,0|2,0,0]=4 3210 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [0,1,0,1,0,0|1,0,1]=4 3211 B7R1.10 C=C1CC(C1)NC 2230a_100132301982_200000210301 [0,1,0,1,0,0|2,0,0]=4 3212 B7R1.10 C=C1CC(C1)N[13CH3] 2230a_100132301982_200025704644 [0,1,0,1,0,0|2,0,0]=4 3213 B7R1.10 CCC1CN(C1)C 2230a_100015205115_200000210301 [0,1,0,1,0,0|2,0,0]=4 3214 B7R1.10 CCC1CN(C1)C 269982a_100015205115_200000210301 [0,1,0,1,0,0|2,0,0]=4 3215 B7R1.10 CCC1CN(C1)[13CH3] 2230a_100015205115_200025704644 [0,1,0,1,0,0|2,0,0]=4 3216 B7R1.10 CCC1CN(C1)[13CH3] 269982a_100015205115_200025704644 [0,1,0,1,0,0|2,0,0]=4 3217 B7R1.10 CNC1CC(C1)F 2230a_100016993743_200000210301 [0,1,0,1,0,0|2,0,0]=4 3218 B7R1.10 CN[C@H]1C[C@@H](C1)O 2230a_100020629032_200000210301 [0,1,0,1,0,0|2,0,0]=4 3219 B7R1.10 COC1CN(C1)C 269982a_100000755009_200000210301 [0,1,0,1,0,0|1,0,0]=3 3220 B7R1.10 COC1CN(C1)[13CH3] 269982a_100000755009_200025704644 [0,1,0,1,0,0|1,0,0]=3 3221 B7R1.10 CSC1CC(=O)C1 62a_100009894365_200000210301 [0,1,0,1,0,0|1,1,0]=4 3222 B7R1.10 CSC1CN(C1)C 269982a_100016990038_200000210301 [0,1,0,1,0,0|1,1,0]=4 3223 B7R1.10 CSC1CN(C1)[13CH3] 269982a_100016990038_200025704644 [0,1,0,1,0,0|1,1,0]=4 3224 B7R1.10 [13CH3]NC1CC(C1)F 2230a_100016993743_200025704644 [0,1,0,1,0,0|2,0,0]=4 3225 B7R1.10 [13CH3]N[C@H]1C[C@@H](C1)O 2230a_100020629032_200025704644 [0,1,0,1,0,0|2,0,0]=4 3226 B7R1.10 [13CH3]SC1CC(=O)C1 62a_100009894365_200025704644 [0,1,0,1,0,0|1,1,0]=4 3227 B7R1.15 C[C@H]1[C@H](CN1C)O 2230a_206633788156_200000210301 [0,1,0,1,0,0|2,0,0]=4 3228 B7R1.15 C[C@H]1[C@H](CN1C)O 269982a_206633788156_200000210301 [0,1,0,1,0,0|2,0,0]=4 3229 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 2230a_206633788156_200025704644 [0,1,0,1,0,0|2,0,0]=4 3230 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 269982a_206633788156_200025704644 [0,1,0,1,0,0|2,0,0]=4 3231 B7R1.21 CC1(CC1)CN[13CH3] 2230a_100000766693_200025704644 [0,1,0,1,0,0|2,0,0]=4 3232 B7R1.21 CC1(CC1)CO[13CH3] 7a_100000698024_200025704644 [0,1,0,1,0,0|1,0,0]=3 3233 B7R1.21 CC1(CO1)CS[13CH3] 62a_100000760498_200025704644 [0,1,0,1,0,0|0,1,0]=3 3234 B7R1.21 CC1(CO1)CS[13CH3] 62a_200025704644_100000760498 [0,1,0,1,0,0|0,1,0]=3 3235 B7R1.21 CNCC1(CC1)C 2230a_100000766693_200000210301 [0,1,0,1,0,0|2,0,0]=4 3236 B7R1.21 CNCC1(CC1)O 2230a_100011936951_200000210301 [0,1,0,1,0,0|2,0,0]=4 3237 B7R1.21 CNCC1(CO1)C 34a_100102657272_100000760498 [0,1,0,1,0,0|1,0,0]=3 3238 B7R1.21 COCC1(CC1)C 7a_100000698024_200000210301 [0,1,0,1,0,0|1,0,0]=3 3239 B7R1.21 COCC1(CC1)F 34a_200000703853_200000210301 [0,1,0,1,0,0|1,0,0]=3 3240 B7R1.21 COCC1(CC1)F 7a_200000703853_200000210301 [0,1,0,1,0,0|1,0,0]=3 3241 B7R1.21 COCC1(CO1)C 34a_100138415774_100000760498 [0,1,0,1,0,0|0,0,0]=2 3242 B7R1.21 CSCC1(CO1)C 62a_100000760498_200000210301 [0,1,0,1,0,0|0,1,0]=3 3243 B7R1.21 CSCC1(CO1)C 62a_200000210301_100000760498 [0,1,0,1,0,0|0,1,0]=3 3244 B7R1.21 [13CH3]NCC1(CC1)O 2230a_100011936951_200025704644 [0,1,0,1,0,0|2,0,0]=4 3245 B7R1.21 [13CH3]OCC1(CC1)F 34a_200000703853_200025704644 [0,1,0,1,0,0|1,0,0]=3 3246 B7R1.21 [13CH3]OCC1(CC1)F 7a_200000703853_200025704644 [0,1,0,1,0,0|1,0,0]=3 3247 B7R1.22 CC(N[13CH3])C1CC1 2230a_100000700016_200025704644 [0,1,0,1,0,0|2,0,0]=4 3248 B7R1.22 CC(N[13CH3])C1CC1 34a_100000700016_200025704644 [0,1,0,1,0,0|2,0,0]=4 3249 B7R1.22 CC(O[13CH3])C1CC1 34a_100000744524_200025704644 [0,1,0,1,0,0|1,0,0]=3 3250 B7R1.22 CC(O[13CH3])C1CC1 7a_100000744524_200025704644 [0,1,0,1,0,0|1,0,0]=3 3251 B7R1.22 CCC(=O)C1CO1 1458a_100000701028_100000210202 [0,1,0,1,0,0|1,0,1]=4 3252 B7R1.22 CNC(=O)C1CO1 11a_106832991635_100000701028 [0,1,0,1,0,0|1,0,1]=4 3253 B7R1.22 CNC(=O)C1CO1 1626a_100102657272_100000701028 [0,1,0,1,0,0|1,0,1]=4 3254 B7R1.22 CNC(=O)C1CO1 240690a_100102657272_100000701028 [0,1,0,1,0,0|1,0,1]=4 3255 B7R1.22 CNC(=O)C1CO1 527a_100102657272_100000701028 [0,1,0,1,0,0|1,0,1]=4 3256 B7R1.22 CNC(C)C1CC1 2230a_100000700016_200000210301 [0,1,0,1,0,0|2,0,0]=4 3257 B7R1.22 CNC(C)C1CC1 269862a_106832991636_100000210639 [0,1,0,1,0,0|2,0,0]=4 3258 B7R1.22 CNC(C)C1CC1 34a_100000700016_200000210301 [0,1,0,1,0,0|2,0,0]=4 3259 B7R1.22 CNC(C)C1CO1 270004a_106832991635_100000031964 [0,1,0,1,0,0|1,0,0]=3 3260 B7R1.22 COC(C)C1CC1 34a_100000744524_200000210301 [0,1,0,1,0,0|1,0,0]=3 3261 B7R1.22 COC(C)C1CC1 7a_100000744524_200000210301 [0,1,0,1,0,0|1,0,0]=3 3262 B7R1.25 CC1(CCC1)N[13CH3] 2230a_100000692455_200025704644 [0,1,0,1,0,0|2,0,0]=4 3263 B7R1.25 CC1(CCC1)N[13CH3] 34a_100000692455_200025704644 [0,1,0,1,0,0|2,0,0]=4 3264 B7R1.25 CC1(CCC1)O[13CH3] 34a_100000759064_200025704644 [0,1,0,1,0,0|1,0,0]=3 3265 B7R1.25 CC1(CCC1)O[13CH3] 7a_100000759064_200025704644 [0,1,0,1,0,0|1,0,0]=3 3266 B7R1.25 CC1(COC1)N[13CH3] 2230a_100000732644_200025704644 [0,1,0,1,0,0|1,0,0]=3 3267 B7R1.25 CC1(CSC1)O[13CH3] 7a_100016018533_200025704644 [0,1,0,1,0,0|0,1,0]=3 3268 B7R1.25 CNC1(CCC1)C 2230a_100000692455_200000210301 [0,1,0,1,0,0|2,0,0]=4 3269 B7R1.25 CNC1(CCC1)C 34a_100000692455_200000210301 [0,1,0,1,0,0|2,0,0]=4 3270 B7R1.25 CNC1(COC1)C 2230a_100000732644_200000210301 [0,1,0,1,0,0|1,0,0]=3 3271 B7R1.25 COC1(CCC1)C 34a_100000759064_200000210301 [0,1,0,1,0,0|1,0,0]=3 3272 B7R1.25 COC1(CCC1)C 7a_100000759064_200000210301 [0,1,0,1,0,0|1,0,0]=3 3273 B7R1.25 COC1(CSC1)C 7a_100016018533_200000210301 [0,1,0,1,0,0|0,1,0]=3 3274 B7R1.7 CCCNC1CC1 34a_100000212008_100000210303 [0,1,0,1,0,0|2,0,0]=4 3275 B7R1.7 CCCOC1CC1 34a_100000210258_100000211595 [0,1,0,1,0,0|2,0,0]=4 3276 B7R1.7 CCCSC1CC1 62a_100000210303_100000211595 [0,1,0,1,0,0|2,0,0]=4 3277 B7R1.7 CCNCC1CC1 2230a_100000735609_100000210202 [0,1,0,1,0,0|2,0,0]=4 3278 B7R1.7 CCNCC1CC1 2230a_100015525214_100000742324 [0,1,0,1,0,0|2,0,0]=4 3279 B7R1.7 CCNCC1CC1 269862a_100015525214_100000741477 [0,1,0,1,0,0|2,0,0]=4 3280 B7R1.7 CCNCC1CC1 34a_100000735609_100000210202 [0,1,0,1,0,0|2,0,0]=4 3281 B7R1.7 CCNCC1CO1 2230a_100015525214_100011216344 [0,1,0,1,0,0|1,0,0]=3 3282 B7R1.7 CCOCC1CC1 34a_100000211283_100000210202 [0,1,0,1,0,0|1,0,0]=3 3283 B7R1.7 CCOCC1CC1 34a_100121572206_100000742324 [0,1,0,1,0,0|1,0,0]=3 3284 B7R1.7 CCOCC1CO1 34a_100121572206_102125554688 [0,1,0,1,0,0|0,0,0]=2 3285 B7R1.7 CCOC[C@@H]1CO1 34a_100000757423_100000210202 [0,1,0,1,0,0|0,0,0]=2 3286 B7R1.7 CCSCC1CC1 62a_100000210202_100000742324 [0,1,0,1,0,0|1,1,0]=4 3287 B7R1.7 CCSCC1CC1 62a_100000756562_100000210202 [0,1,0,1,0,0|1,1,0]=4 3288 B7R1.7 CCSCC1CO1 62a_100000210202_102125554688 [0,1,0,1,0,0|0,1,0]=3 3289 B7R1.7 CCSCC1CO1 62a_102125554688_100000210202 [0,1,0,1,0,0|0,1,0]=3 3290 B7R1.7 CCSCC1CS1 62a_100000031435_100000210202 [0,1,0,1,0,0|0,2,0]=4 3291 B7R1.7 CCSCC1CS1 62a_100000210202_100000031435 [0,1,0,1,0,0|0,2,0]=4 3292 B7R1.7 CCSC[C@@H]1CO1 62a_100000210202_100000745022 [0,1,0,1,0,0|0,1,0]=3 3293 B7R1.7 CCSC[C@@H]1CO1 62a_100000745022_100000210202 [0,1,0,1,0,0|0,1,0]=3 3294 B7R1.7 CNCCC1CC1 2230a_106832991635_100000694398 [0,1,0,1,0,0|2,0,0]=4 3295 B7R1.7 CNCCC1CC1 34a_100000764129_200000210301 [0,1,0,1,0,0|2,0,0]=4 3296 B7R1.7 CNCCC1CC1 34a_100102657272_100000694398 [0,1,0,1,0,0|2,0,0]=4 3297 B7R1.7 CNCCC1CC1 7a_106832991635_100000764125 [0,1,0,1,0,0|2,0,0]=4 3298 B7R1.7 CNCCC1CO1 2230a_106832991635_100000732470 [0,1,0,1,0,0|1,0,0]=3 3299 B7R1.7 CNCCC1CO1 34a_100102657272_100000732470 [0,1,0,1,0,0|1,0,0]=3 3300 B7R1.7 CNCCC1CO1 7a_106832991635_100000732470 [0,1,0,1,0,0|1,0,0]=3 3301 B7R1.7 COCCC1CC1 34a_100000754188_200000210301 [0,1,0,1,0,0|1,0,0]=3 3302 B7R1.7 COCCC1CC1 34a_100138415774_100000694398 [0,1,0,1,0,0|1,0,0]=3 3303 B7R1.7 COCCC1CC1 7a_100000754188_200000210301 [0,1,0,1,0,0|1,0,0]=3 3304 B7R1.7 COCCC1CO1 34a_100138415774_100000732470 [0,1,0,1,0,0|0,0,0]=2 3305 B7R1.7 COCC[C@@H]1CO1 34a_100009820653_200000210301 [0,1,0,1,0,0|0,0,0]=2 3306 B7R1.7 COCSC1CC1 62a_100000766300_100000211595 [0,1,0,1,0,0|1,0,0]=3 3307 B7R1.7 CSCCC1CC1 62a_100000764125_200000210301 [0,1,0,1,0,0|1,1,0]=4 3308 B7R1.7 CSCCC1CC1 62a_200000210301_100000764125 [0,1,0,1,0,0|1,1,0]=4 3309 B7R1.7 CSCCC1CO1 62a_100000732470_200000210301 [0,1,0,1,0,0|0,1,0]=3 3310 B7R1.7 CSCCC1CO1 62a_200000210301_100000732470 [0,1,0,1,0,0|0,1,0]=3 3311 B7R1.7 CSCNC1CC1 34a_100000212008_100011218213 [0,1,0,1,0,0|1,1,0]=4 3312 B7R1.7 CSCSC1CC1 62a_100011218213_100000211595 [0,1,0,1,0,0|1,1,0]=4 3313 B7R1.7 FCNCC1CC1 34a_100000735609_100015361967 [0,1,0,1,0,0|2,0,0]=4 3314 B7R1.7 FCOCC1CC1 34a_100000211283_100015361967 [0,1,0,1,0,0|1,0,0]=3 3315 B7R1.7 FCOC[C@@H]1CO1 34a_100000757423_100015361967 [0,1,0,1,0,0|0,0,0]=2 3316 B7R1.7 FCSCC1CC1 62a_100000756562_100015361967 [0,1,0,1,0,0|1,1,0]=4 3317 B7R1.7 FCSCC1CC1 62a_100015361967_100000742324 [0,1,0,1,0,0|1,1,0]=4 3318 B7R1.7 FCSCC1CO1 62a_100015361967_102125554688 [0,1,0,1,0,0|0,1,0]=3 3319 B7R1.7 FCSCC1CO1 62a_102125554688_100015361967 [0,1,0,1,0,0|0,1,0]=3 3320 B7R1.7 FCSCC1CS1 62a_100000031435_100015361967 [0,1,0,1,0,0|0,2,0]=4 3321 B7R1.7 FCSCC1CS1 62a_100015361967_100000031435 [0,1,0,1,0,0|0,2,0]=4 3322 B7R1.7 FCSC[C@@H]1CO1 62a_100000745022_100015361967 [0,1,0,1,0,0|0,1,0]=3 3323 B7R1.7 FCSC[C@@H]1CO1 62a_100015361967_100000745022 [0,1,0,1,0,0|0,1,0]=3 3324 B7R1.7 [13CH3]NCCC1CC1 34a_100000764129_200025704644 [0,1,0,1,0,0|2,0,0]=4 3325 B7R1.7 [13CH3]OCCC1CC1 34a_100000754188_200025704644 [0,1,0,1,0,0|1,0,0]=3 3326 B7R1.7 [13CH3]OCCC1CC1 7a_100000754188_200025704644 [0,1,0,1,0,0|1,0,0]=3 3327 B7R1.7 [13CH3]OCC[C@@H]1CO1 34a_100009820653_200025704644 [0,1,0,1,0,0|0,0,0]=2 3328 B7R1.7 [13CH3]SCCC1CC1 62a_100000764125_200025704644 [0,1,0,1,0,0|1,1,0]=4 3329 B7R1.7 [13CH3]SCCC1CC1 62a_200025704644_100000764125 [0,1,0,1,0,0|1,1,0]=4 3330 B7R1.7 [13CH3]SCCC1CO1 62a_100000732470_200025704644 [0,1,0,1,0,0|0,1,0]=3 3331 B7R1.7 [13CH3]SCCC1CO1 62a_200025704644_100000732470 [0,1,0,1,0,0|0,1,0]=3 3332 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [0,1,0,1,0,0|2,0,0]=4 3333 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [0,1,0,1,0,0|2,0,0]=4 3334 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [0,1,0,1,0,0|2,0,0]=4 3335 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [0,1,0,1,0,0|2,0,0]=4 3336 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [0,1,0,1,0,0|1,0,0]=3 3337 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [0,1,0,1,0,0|1,0,0]=3 3338 B7R1.18 CN(C)C1CCC1 2230a_100000758072_200000210301 [0,1,0,1,0,0|2,0,0]=4 3339 B7R1.18 CN(C)C1CCC1 269982a_100000758072_200000210301 [0,1,0,1,0,0|2,0,0]=4 3340 B7R1.18 CN(C)C1CCC1 269982a_100102631434_100000749161 [0,1,0,1,0,0|2,0,0]=4 3341 B7R1.18 CN(C)C1CCC1 270004a_100102631434_100000241760 [0,1,0,1,0,0|2,0,0]=4 3342 B7R1.18 CN(C)C1CCC1 34a_100000758072_200000210301 [0,1,0,1,0,0|2,0,0]=4 3343 B7R1.18 CN(C)C1COC1 2230a_100102693430_200000210301 [0,1,0,1,0,0|1,0,0]=3 3344 B7R1.18 CN(C)C1COC1 269982a_100102631434_100000687716 [0,1,0,1,0,0|1,0,0]=3 3345 B7R1.18 CN(C)C1COC1 269982a_100102693430_200000210301 [0,1,0,1,0,0|1,0,0]=3 3346 B7R1.18 CN([13CH3])C1CCC1 2230a_100000758072_200025704644 [0,1,0,1,0,0|2,0,0]=4 3347 B7R1.18 CN([13CH3])C1CCC1 269982a_100000758072_200025704644 [0,1,0,1,0,0|2,0,0]=4 3348 B7R1.18 CN([13CH3])C1CCC1 34a_100000758072_200025704644 [0,1,0,1,0,0|2,0,0]=4 3349 B7R1.18 CN([13CH3])C1COC1 2230a_100102693430_200025704644 [0,1,0,1,0,0|1,0,0]=3 3350 B7R1.18 CN([13CH3])C1COC1 269982a_100102693430_200025704644 [0,1,0,1,0,0|1,0,0]=3 3351 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [0,1,0,1,0,0|2,0,0]=4 3352 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [0,1,0,1,0,0|1,0,0]=3 3353 B7R1.20 CC(=O)CC1CC1 1458a_100000070787_100000742324 [0,1,0,1,0,0|2,0,0]=4 3354 B7R1.20 CC(=O)CC1CC1 1458a_100000738066_200000210301 [0,1,0,1,0,0|2,0,0]=4 3355 B7R1.20 CC(=O)CC1CO1 1458a_100000070787_100011216344 [0,1,0,1,0,0|1,0,0]=3 3356 B7R1.20 CC(=O)CC1CS1 1458a_100000070787_100000031435 [0,1,0,1,0,0|1,1,0]=4 3357 B7R1.20 CC(=O)C[C@@H]1CO1 1458a_100000070787_100000745022 [0,1,0,1,0,0|1,0,0]=3 3358 B7R1.20 CN(C)CC1CC1 2230a_100000741881_200000210301 [0,1,0,1,0,0|2,0,0]=4 3359 B7R1.20 CN(C)CC1CC1 2230a_100102631434_100000742324 [0,1,0,1,0,0|2,0,0]=4 3360 B7R1.20 CN(C)CC1CC1 269982a_100000741881_200000210301 [0,1,0,1,0,0|2,0,0]=4 3361 B7R1.20 CN(C)CC1CC1 269982a_100102631434_100000756562 [0,1,0,1,0,0|2,0,0]=4 3362 B7R1.20 CN(C)CC1CO1 2230a_100102631434_100011216344 [0,1,0,1,0,0|1,0,0]=3 3363 B7R1.20 CN(C)CC1CO1 269982a_100102631434_102125554688 [0,1,0,1,0,0|1,0,0]=3 3364 B7R1.20 CN(C)CC1CS1 269982a_100102631434_100000031435 [0,1,0,1,0,0|1,1,0]=4 3365 B7R1.20 CN(C)C[C@@H]1CO1 269982a_100102631434_100000745022 [0,1,0,1,0,0|1,0,0]=3 3366 B7R1.20 CN([13CH3])CC1CC1 2230a_100000741881_200025704644 [0,1,0,1,0,0|2,0,0]=4 3367 B7R1.20 CN([13CH3])CC1CC1 269982a_100000741881_200025704644 [0,1,0,1,0,0|2,0,0]=4 3368 B7R1.20 [13CH3]C(=O)CC1CC1 1458a_100000738066_200025704644 [0,1,0,1,0,0|2,0,0]=4