0 B7R0.1 C#CCCCCNC 2230a_100000706060_200000210301 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.1 C#CCCCCNC 2230a_106832991635_100010269958 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.1 C#CCCCCNC 34a_100000706060_200000210301 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.1 C#CCCCCNC 34a_100102657272_100010269958 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.1 C#CCCCCNC 7a_106832991635_100010269958 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.1 C#CCCCCN[13CH3] 2230a_100000706060_200025704644 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.1 C#CCCCCN[13CH3] 34a_100000706060_200025704644 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.1 C#CCCCCOC 34a_100000766709_200000210301 [0,0,0,0,0,0|2,1,1]=4 8 B7R0.1 C#CCCCCOC 34a_100138415774_100010269958 [0,0,0,0,0,0|2,1,1]=4 9 B7R0.1 C#CCCCCOC 7a_100000766709_200000210301 [0,0,0,0,0,0|2,1,1]=4 10 B7R0.1 C#CCCCCO[13CH3] 34a_100000766709_200025704644 [0,0,0,0,0,0|2,1,1]=4 11 B7R0.1 C#CCCCCO[13CH3] 7a_100000766709_200025704644 [0,0,0,0,0,0|2,1,1]=4 12 B7R0.1 C#CCCCCSC 62a_100010269958_200000210301 [0,0,0,0,0,0|2,0,1]=3 13 B7R0.1 C#CCCCCSC 62a_200000210301_100010269958 [0,0,0,0,0,0|2,0,1]=3 14 B7R0.1 C#CCCCCS[13CH3] 62a_100010269958_200025704644 [0,0,0,0,0,0|2,0,1]=3 15 B7R0.1 C#CCCCCS[13CH3] 62a_200025704644_100010269958 [0,0,0,0,0,0|2,0,1]=3 16 B7R0.1 C#CCCNCSC 34a_100000755551_100011218213 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.1 C#CCCOCSC 34a_100011215631_100011218213 [0,0,0,0,0,0|3,0,1]=4 18 B7R0.1 C#CCCSCSC 62a_100000688953_100011218213 [0,0,0,0,0,0|3,0,1]=4 19 B7R0.1 C#CCCSCSC 62a_100011218213_100000688953 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.1 C#CCNCCSC 2230a_100020590264_100000038162 [0,0,0,0,0,0|3,0,1]=4 21 B7R0.1 C#CCNCCSC 34a_100000212058_100000212216 [0,0,0,0,0,0|3,0,1]=4 22 B7R0.1 C#CCOCCSC 34a_100000210247_100000212216 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.1 C#CCOCCSC 34a_100000230434_100000184674 [0,0,0,0,0,0|3,0,1]=4 24 B7R0.1 C#CCOCCSC 62a_100010402529_200000210301 [0,0,0,0,0,0|3,0,1]=4 25 B7R0.1 C#CCOCCSC 62a_200000210301_100010402529 [0,0,0,0,0,0|3,0,1]=4 26 B7R0.1 C#CCOCCSC 7a_100000230434_100000038162 [0,0,0,0,0,0|3,0,1]=4 27 B7R0.1 C#CCOCCS[13CH3] 62a_100010402529_200025704644 [0,0,0,0,0,0|3,0,1]=4 28 B7R0.1 C#CCOCCS[13CH3] 62a_200025704644_100010402529 [0,0,0,0,0,0|3,0,1]=4 29 B7R0.1 C#CCSCCSC 62a_100000038162_100000751147 [0,0,0,0,0,0|3,0,1]=4 30 B7R0.1 C/C=C/COCSC 34a_100016270725_100011218213 [0,0,0,0,0,0|3,0,1]=4 31 B7R0.1 C/C=C/CSCSC 62a_100011218213_100102629194 [0,0,0,0,0,0|3,0,1]=4 32 B7R0.1 C/C=C/CSCSC 62a_100102629194_100011218213 [0,0,0,0,0,0|3,0,1]=4 33 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [0,0,0,0,0,0|3,0,1]=4 34 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [0,0,0,0,0,0|3,0,1]=4 35 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [0,0,0,0,0,0|3,0,1]=4 36 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [0,0,0,0,0,0|3,0,1]=4 37 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [0,0,0,0,0,0|3,0,1]=4 38 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [0,0,0,0,0,0|3,0,1]=4 39 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [0,0,0,0,0,0|3,0,1]=4 40 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [0,0,0,0,0,0|2,1,1]=4 41 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [0,0,0,0,0,0|2,1,1]=4 42 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [0,0,0,0,0,0|2,1,1]=4 43 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [0,0,0,0,0,0|2,1,1]=4 44 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [0,0,0,0,0,0|2,1,1]=4 45 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [0,0,0,0,0,0|2,0,1]=3 46 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [0,0,0,0,0,0|2,0,1]=3 47 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [0,0,0,0,0,0|2,0,1]=3 48 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [0,0,0,0,0,0|2,0,1]=3 49 B7R0.1 C=CCCNCSC 2230a_100015191253_100011218213 [0,0,0,0,0,0|3,0,1]=4 50 B7R0.1 C=CCCOCSC 34a_100011205117_100011218213 [0,0,0,0,0,0|3,0,1]=4 51 B7R0.1 C=CCCSCSC 62a_100000754431_100011218213 [0,0,0,0,0,0|3,0,1]=4 52 B7R0.1 C=CCCSCSC 62a_100011218213_100000754431 [0,0,0,0,0,0|3,0,1]=4 53 B7R0.1 C=CCNCCSC 2230a_100020586998_100000751147 [0,0,0,0,0,0|3,0,1]=4 54 B7R0.1 C=CCNCCSC 2230a_100020590264_100000210623 [0,0,0,0,0,0|3,0,1]=4 55 B7R0.1 C=CCOCCSC 34a_100000230434_100015514636 [0,0,0,0,0,0|3,0,1]=4 56 B7R0.1 C=CCOCCSC 34a_200000210373_100000212216 [0,0,0,0,0,0|3,0,1]=4 57 B7R0.1 C=CCOCCSC 7a_100000230434_100015514636 [0,0,0,0,0,0|3,0,1]=4 58 B7R0.1 C=CCSCCSC 62a_100000210623_100000751147 [0,0,0,0,0,0|3,0,1]=4 59 B7R0.1 C=CCSCCSC 62a_100000212216_100000210623 [0,0,0,0,0,0|3,0,1]=4 60 B7R0.1 C=COCCCNC 2230a_100000210767_200000210301 [0,0,0,0,0,0|3,0,1]=4 61 B7R0.1 C=COCCCNC 34a_100000210767_200000210301 [0,0,0,0,0,0|3,0,1]=4 62 B7R0.1 C=COCCCN[13CH3] 2230a_100000210767_200025704644 [0,0,0,0,0,0|3,0,1]=4 63 B7R0.1 C=COCCCN[13CH3] 34a_100000210767_200025704644 [0,0,0,0,0,0|3,0,1]=4 64 B7R0.1 CC#CCNCSC 2230a_100000685387_100011218213 [0,0,0,0,0,0|3,0,1]=4 65 B7R0.1 CC#CCNCSC 34a_100000685387_100011218213 [0,0,0,0,0,0|3,0,1]=4 66 B7R0.1 CC#CCOCSC 34a_100000761923_100011218213 [0,0,0,0,0,0|3,0,1]=4 67 B7R0.1 CC#CCSCSC 62a_100000748600_100011218213 [0,0,0,0,0,0|3,0,1]=4 68 B7R0.1 CC#CCSCSC 62a_100011218213_100000748600 [0,0,0,0,0,0|3,0,1]=4 69 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [0,0,0,0,0,0|2,0,2]=4 70 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [0,0,0,0,0,0|2,0,2]=4 71 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [0,0,0,0,0,0|2,0,2]=4 72 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [0,0,0,0,0,0|2,0,2]=4 73 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [0,0,0,0,0,0|2,1,1]=4 74 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [0,0,0,0,0,0|2,1,1]=4 75 B7R0.1 CC=CCSCSC 62a_100000070051_100011218213 [0,0,0,0,0,0|3,0,1]=4 76 B7R0.1 CC=CCSCSC 62a_100011218213_100000070051 [0,0,0,0,0,0|3,0,1]=4 77 B7R0.1 CC=NNCCCC 4a_100025702795_200000210099 [0,0,0,0,0,0|3,0,1]=4 78 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [0,0,0,0,0,0|3,0,1]=4 79 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [0,0,0,0,0,0|3,0,1]=4 80 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [0,0,0,0,0,0|3,0,1]=4 81 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [0,0,0,0,0,0|3,0,1]=4 82 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [0,0,0,0,0,0|3,0,1]=4 83 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [0,0,0,0,0,0|2,1,1]=4 84 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [0,0,0,0,0,0|2,1,1]=4 85 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [0,0,0,0,0,0|2,1,1]=4 86 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [0,0,0,0,0,0|2,1,1]=4 87 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [0,0,0,0,0,0|2,1,1]=4 88 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [0,0,0,0,0,0|2,0,1]=3 89 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [0,0,0,0,0,0|2,0,1]=3 90 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [0,0,0,0,0,0|2,0,1]=3 91 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [0,0,0,0,0,0|2,0,1]=3 92 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [0,0,0,0,0,0|2,0,2]=4 93 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [0,0,0,0,0,0|2,0,2]=4 94 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [0,0,0,0,0,0|3,0,1]=4 95 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [0,0,0,0,0,0|3,0,1]=4 96 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [0,0,0,0,0,0|3,0,1]=4 97 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [0,0,0,0,0,0|3,0,1]=4 98 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [0,0,0,0,0,0|3,0,1]=4 99 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [0,0,0,0,0,0|3,0,1]=4 100 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [0,0,0,0,0,0|3,0,1]=4 101 B7R0.1 CCCCCSCF 62a_100000210326_100015361967 [0,0,0,0,0,0|3,0,1]=4 102 B7R0.1 CCCCCSCF 62a_100015361967_100000210326 [0,0,0,0,0,0|3,0,1]=4 103 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [0,0,0,0,0,0|3,0,1]=4 104 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [0,0,0,0,0,0|3,0,1]=4 105 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [0,0,0,0,0,0|3,0,1]=4 106 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [0,0,0,0,0,0|3,0,1]=4 107 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [0,0,0,0,0,0|3,0,1]=4 108 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [0,0,0,0,0,0|3,0,1]=4 109 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [0,0,0,0,0,0|3,0,1]=4 110 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [0,0,0,0,0,0|3,0,1]=4 111 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [0,0,0,0,0,0|3,0,1]=4 112 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [0,0,0,0,0,0|3,0,1]=4 113 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [0,0,0,0,0,0|3,0,1]=4 114 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [0,0,0,0,0,0|3,0,1]=4 115 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [0,0,0,0,0,0|3,0,1]=4 116 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [0,0,0,0,0,0|3,0,1]=4 117 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [0,0,0,0,0,0|3,0,1]=4 118 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [0,0,0,0,0,0|3,0,1]=4 119 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [0,0,0,0,0,0|3,0,1]=4 120 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [0,0,0,0,0,0|3,0,1]=4 121 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [0,0,0,0,0,0|1,1,2]=4 122 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [0,0,0,0,0,0|1,1,2]=4 123 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [0,0,0,0,0,0|1,0,2]=3 124 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [0,0,0,0,0,0|3,0,1]=4 125 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [0,0,0,0,0,0|3,0,1]=4 126 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [0,0,0,0,0,0|3,0,1]=4 127 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [0,0,0,0,0,0|3,0,1]=4 128 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [0,0,0,0,0,0|3,0,1]=4 129 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [0,0,0,0,0,0|3,0,1]=4 130 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [0,0,0,0,0,0|3,0,1]=4 131 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [0,0,0,0,0,0|3,0,1]=4 132 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [0,0,0,0,0,0|2,1,1]=4 133 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [0,0,0,0,0,0|2,1,1]=4 134 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [0,0,0,0,0,0|2,1,1]=4 135 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [0,0,0,0,0,0|2,1,1]=4 136 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [0,0,0,0,0,0|2,1,1]=4 137 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [0,0,0,0,0,0|2,1,1]=4 138 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [0,0,0,0,0,0|2,1,1]=4 139 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [0,0,0,0,0,0|2,0,1]=3 140 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [0,0,0,0,0,0|2,0,1]=3 141 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [0,0,0,0,0,0|2,0,1]=3 142 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [0,0,0,0,0,0|2,0,1]=3 143 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [0,0,0,0,0,0|2,0,1]=3 144 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [0,0,0,0,0,0|2,0,1]=3 145 B7R0.1 CCOCSCSC 62a_100000739092_100011218213 [0,0,0,0,0,0|3,0,1]=4 146 B7R0.1 CCOCSCSC 62a_100011218213_100000739092 [0,0,0,0,0,0|3,0,1]=4 147 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [0,0,0,0,0,0|2,1,1]=4 148 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [0,0,0,0,0,0|2,1,1]=4 149 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [0,0,0,0,0,0|2,1,1]=4 150 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [0,0,0,0,0,0|2,1,1]=4 151 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [0,0,0,0,0,0|2,1,1]=4 152 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [0,0,0,0,0,0|2,1,1]=4 153 B7R0.1 CNCCCCC#N 2230a_106832991635_100000211819 [0,0,0,0,0,0|3,0,1]=4 154 B7R0.1 CNCCCCC#N 7a_106832991635_100000211819 [0,0,0,0,0,0|3,0,1]=4 155 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [0,0,0,0,0,0|2,1,1]=4 156 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [0,0,0,0,0,0|2,1,1]=4 157 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [0,0,0,0,0,0|3,0,1]=4 158 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [0,0,0,0,0,0|3,0,1]=4 159 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [0,0,0,0,0,0|3,0,1]=4 160 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [0,0,0,0,0,0|2,1,1]=4 161 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [0,0,0,0,0,0|2,1,1]=4 162 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [0,0,0,0,0,0|2,1,1]=4 163 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [0,0,0,0,0,0|2,1,1]=4 164 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [0,0,0,0,0,0|2,1,1]=4 165 B7R0.1 CNCCCCOC 2230a_106832991635_100000730899 [0,0,0,0,0,0|3,1,0]=4 166 B7R0.1 CNCCCCOC 34a_100102657272_100000755781 [0,0,0,0,0,0|3,1,0]=4 167 B7R0.1 CNCCCCOC 7a_106832991635_100000730899 [0,0,0,0,0,0|3,1,0]=4 168 B7R0.1 CNCCCN=[N+]=[N-] 2230a_100000744732_200000210301 [0,0,0,0,0,0|3,0,0]=3 169 B7R0.1 CNCCCOCF 34a_100000213112_100015361967 [0,0,0,0,0,0|3,0,1]=4 170 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [0,0,0,0,0,0|2,1,1]=4 171 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [0,0,0,0,0,0|2,1,1]=4 172 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [0,0,0,0,0,0|2,1,1]=4 173 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [0,0,0,0,0,0|2,1,1]=4 174 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [0,0,0,0,0,0|2,1,1]=4 175 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [0,0,0,0,0,0|2,1,1]=4 176 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [0,0,0,0,0,0|2,1,1]=4 177 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [0,0,0,0,0,0|2,1,1]=4 178 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [0,0,0,0,0,0|1,2,1]=4 179 B7R0.1 COCCCCOC 34a_100000740925_200000210301 [0,0,0,0,0,0|3,1,0]=4 180 B7R0.1 COCCCCOC 34a_100138415774_100000755781 [0,0,0,0,0,0|3,1,0]=4 181 B7R0.1 COCCCCO[13CH3] 34a_100000740925_200025704644 [0,0,0,0,0,0|3,1,0]=4 182 B7R0.1 COCCCCSC 34a_100011217163_200000210301 [0,0,0,0,0,0|3,0,0]=3 183 B7R0.1 COCCCCSC 62a_100000730899_200000210301 [0,0,0,0,0,0|3,0,0]=3 184 B7R0.1 COCCCCSC 62a_200000210301_100000730899 [0,0,0,0,0,0|3,0,0]=3 185 B7R0.1 COCCCCSC 7a_100011217163_200000210301 [0,0,0,0,0,0|3,0,0]=3 186 B7R0.1 COCCCCS[13CH3] 62a_100000730899_200025704644 [0,0,0,0,0,0|3,0,0]=3 187 B7R0.1 COCCCCS[13CH3] 62a_200025704644_100000730899 [0,0,0,0,0,0|3,0,0]=3 188 B7R0.1 COCCCNCF 34a_100150723488_100015361967 [0,0,0,0,0,0|1,1,2]=4 189 B7R0.1 COCCCOCF 34a_100000740835_100015361967 [0,0,0,0,0,0|2,1,1]=4 190 B7R0.1 COCCCSCF 62a_100000709357_100015361967 [0,0,0,0,0,0|2,1,1]=4 191 B7R0.1 COCCCSCF 62a_100015361967_100000709357 [0,0,0,0,0,0|2,1,1]=4 192 B7R0.1 COCCNCSC 2230a_100000209980_100011218213 [0,0,0,0,0,0|4,0,0]=4 193 B7R0.1 COCCOCSC 34a_100000210237_100011218213 [0,0,0,0,0,0|4,0,0]=4 194 B7R0.1 COCCOCSC 62a_100000231047_200000210301 [0,0,0,0,0,0|4,0,0]=4 195 B7R0.1 COCCOCSC 62a_200000210301_100000231047 [0,0,0,0,0,0|4,0,0]=4 196 B7R0.1 COCCOCS[13CH3] 62a_100000231047_200025704644 [0,0,0,0,0,0|4,0,0]=4 197 B7R0.1 COCCOCS[13CH3] 62a_200025704644_100000231047 [0,0,0,0,0,0|4,0,0]=4 198 B7R0.1 COCCSCSC 62a_100000233755_100011218213 [0,0,0,0,0,0|4,0,0]=4 199 B7R0.1 COCCSCSC 62a_100011218213_100000233755 [0,0,0,0,0,0|4,0,0]=4 200 B7R0.1 COCNCCSC 2230a_100020590264_100000766300 [0,0,0,0,0,0|4,0,0]=4 201 B7R0.1 COCSCCSC 62a_100000212216_100000766300 [0,0,0,0,0,0|4,0,0]=4 202 B7R0.1 COCSCCSC 62a_100000766300_100000751147 [0,0,0,0,0,0|4,0,0]=4 203 B7R0.1 CSCCCCC#N 62a_100011219923_200000210301 [0,0,0,0,0,0|2,0,1]=3 204 B7R0.1 CSCCCCC#N 62a_200000210301_100000211819 [0,0,0,0,0,0|2,0,1]=3 205 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [0,0,0,0,0,0|1,1,1]=3 206 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [0,0,0,0,0,0|1,1,1]=3 207 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [0,0,0,0,0,0|2,0,1]=3 208 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [0,0,0,0,0,0|2,0,1]=3 209 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [0,0,0,0,0,0|1,1,1]=3 210 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [0,0,0,0,0,0|1,1,1]=3 211 B7R0.1 CSCCCCO[13CH3] 34a_100011217163_200025704644 [0,0,0,0,0,0|3,0,0]=3 212 B7R0.1 CSCCCCO[13CH3] 7a_100011217163_200025704644 [0,0,0,0,0,0|3,0,0]=3 213 B7R0.1 CSCCCOCF 34a_100000690336_100015361967 [0,0,0,0,0,0|2,0,1]=3 214 B7R0.1 CSCCCOCF 7a_100000690336_100015361967 [0,0,0,0,0,0|2,0,1]=3 215 B7R0.1 CSCCNCC#N 2230a_100020590264_100011215382 [0,0,0,0,0,0|3,0,1]=4 216 B7R0.1 CSCCNCC=O 2230a_100020590264_200015260668 [0,0,0,0,0,0|2,1,1]=4 217 B7R0.1 CSCCNCCF 2230a_100020590264_100011217306 [0,0,0,0,0,0|3,0,1]=4 218 B7R0.1 CSCCNCCF 34a_100000724931_100000212216 [0,0,0,0,0,0|3,0,1]=4 219 B7R0.1 CSCCNCCO 2230a_100016997473_100000751147 [0,0,0,0,0,0|2,1,1]=4 220 B7R0.1 CSCCNCCO 2230a_100020590264_100000211926 [0,0,0,0,0,0|2,1,1]=4 221 B7R0.1 CSCCNCCO 34a_100016990907_100000212216 [0,0,0,0,0,0|2,1,1]=4 222 B7R0.1 CSCCNCSC 2230a_100020590264_100011218213 [0,0,0,0,0,0|4,0,0]=4 223 B7R0.1 CSCCOCC#N 62a_200000047693_200000210301 [0,0,0,0,0,0|3,0,1]=4 224 B7R0.1 CSCCOCC#N 62a_200000210301_200000047693 [0,0,0,0,0,0|3,0,1]=4 225 B7R0.1 CSCCOCC#N 7a_100000230434_100011215382 [0,0,0,0,0,0|3,0,1]=4 226 B7R0.1 CSCCOCC=O 34a_100000230434_200009817547 [0,0,0,0,0,0|2,1,1]=4 227 B7R0.1 CSCCOCC=O 7a_100000230434_200015260668 [0,0,0,0,0,0|2,1,1]=4 228 B7R0.1 CSCCOCCBr 34a_100000211926_100000212216 [0,0,0,0,0,0|3,0,1]=4 229 B7R0.1 CSCCOCCF 34a_100000230434_100011217306 [0,0,0,0,0,0|3,0,1]=4 230 B7R0.1 CSCCOCCF 7a_100000230434_100011217306 [0,0,0,0,0,0|3,0,1]=4 231 B7R0.1 CSCCOCCN 34a_100000210304_100000212216 [0,0,0,0,0,0|3,0,1]=4 232 B7R0.1 CSCCOCCO 34a_100000230434_100000211926 [0,0,0,0,0,0|2,1,1]=4 233 B7R0.1 CSCCOCCO 62a_100011215305_200000210301 [0,0,0,0,0,0|2,1,1]=4 234 B7R0.1 CSCCOCCO 62a_200000210301_100011215305 [0,0,0,0,0,0|2,1,1]=4 235 B7R0.1 CSCCOCCO 7a_100000230434_100000211926 [0,0,0,0,0,0|2,1,1]=4 236 B7R0.1 CSCCOCSC 34a_100000230434_100011218213 [0,0,0,0,0,0|4,0,0]=4 237 B7R0.1 CSCCSCC#N 62a_100000212216_100011215382 [0,0,0,0,0,0|3,0,1]=4 238 B7R0.1 CSCCSCC#N 62a_100011215382_100000751147 [0,0,0,0,0,0|3,0,1]=4 239 B7R0.1 CSCCSCC=O 62a_100000212216_200015260668 [0,0,0,0,0,0|2,1,1]=4 240 B7R0.1 CSCCSCC=O 62a_200015260668_100000751147 [0,0,0,0,0,0|2,1,1]=4 241 B7R0.1 CSCCSCCF 62a_100000212216_100011217306 [0,0,0,0,0,0|3,0,1]=4 242 B7R0.1 CSCCSCCF 62a_100011217306_100000751147 [0,0,0,0,0,0|3,0,1]=4 243 B7R0.1 CSCCSCCO 62a_100000211926_100000751147 [0,0,0,0,0,0|2,1,1]=4 244 B7R0.1 CSCCSCCO 62a_100000212216_100000211926 [0,0,0,0,0,0|2,1,1]=4 245 B7R0.1 CSCCSCSC 62a_100000212216_100011218213 [0,0,0,0,0,0|4,0,0]=4 246 B7R0.1 CSCCSCSC 62a_100011218213_100000751147 [0,0,0,0,0,0|4,0,0]=4 247 B7R0.1 CSCNCCCF 2230a_100015189416_100011218213 [0,0,0,0,0,0|3,0,1]=4 248 B7R0.1 CSCNCCCF 34a_100015189416_100011218213 [0,0,0,0,0,0|3,0,1]=4 249 B7R0.1 CSCOCCCBr 34a_100011217188_100011218213 [0,0,0,0,0,0|3,0,1]=4 250 B7R0.1 CSCOCCCCl 34a_100000230001_100011218213 [0,0,0,0,0,0|3,0,1]=4 251 B7R0.1 CSCOCCCF 34a_100000759539_100011218213 [0,0,0,0,0,0|3,0,1]=4 252 B7R0.1 CSCOCCCN 34a_100000182051_100011218213 [0,0,0,0,0,0|3,0,1]=4 253 B7R0.1 CSCOCCON 34a_100000700252_100011218213 [0,0,0,0,0,0|4,0,0]=4 254 B7R0.1 CSCSCCC#N 62a_100011215226_100011218213 [0,0,0,0,0,0|3,0,1]=4 255 B7R0.1 CSCSCCC#N 62a_100011218213_100011215226 [0,0,0,0,0,0|3,0,1]=4 256 B7R0.1 CSCSCCCF 62a_100011218213_100011934791 [0,0,0,0,0,0|3,0,1]=4 257 B7R0.1 CSCSCCCF 62a_100011934791_100011218213 [0,0,0,0,0,0|3,0,1]=4 258 B7R0.1 CSCSCCCO 62a_100011215043_100011218213 [0,0,0,0,0,0|2,1,1]=4 259 B7R0.1 CSCSCCCO 62a_100011218213_100011215043 [0,0,0,0,0,0|2,1,1]=4 260 B7R0.1 CSCSCSC#N 62a_100000211825_100011218213 [0,0,0,0,0,0|3,0,1]=4 261 B7R0.1 CSCSCSC#N 62a_100011218213_100000211825 [0,0,0,0,0,0|3,0,1]=4 262 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [0,0,0,0,0,0|2,1,1]=4 263 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [0,0,0,0,0,0|2,1,1]=4 264 B7R0.1 [13CH3]NCCCN=[N+]=[N-] 2230a_100000744732_200025704644 [0,0,0,0,0,0|3,0,0]=3 265 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [0,0,0,0,0,0|2,1,1]=4 266 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [0,0,0,0,0,0|2,1,1]=4 267 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [0,0,0,0,0,0|2,1,1]=4 268 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [0,0,0,0,0,0|2,1,1]=4 269 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [0,0,0,0,0,0|2,1,1]=4 270 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [0,0,0,0,0,0|2,1,1]=4 271 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [0,0,0,0,0,0|2,1,1]=4 272 B7R0.1 [13CH3]SCCCCC#N 62a_100011219923_200025704644 [0,0,0,0,0,0|2,0,1]=3 273 B7R0.1 [13CH3]SCCCCC#N 62a_200025704644_100000211819 [0,0,0,0,0,0|2,0,1]=3 274 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [0,0,0,0,0,0|1,1,1]=3 275 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [0,0,0,0,0,0|1,1,1]=3 276 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [0,0,0,0,0,0|2,0,1]=3 277 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [0,0,0,0,0,0|2,0,1]=3 278 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [0,0,0,0,0,0|1,1,1]=3 279 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [0,0,0,0,0,0|1,1,1]=3 280 B7R0.1 [13CH3]SCCOCC#N 62a_200000047693_200025704644 [0,0,0,0,0,0|3,0,1]=4 281 B7R0.1 [13CH3]SCCOCC#N 62a_200025704644_200000047693 [0,0,0,0,0,0|3,0,1]=4 282 B7R0.1 [13CH3]SCCOCCO 62a_100011215305_200025704644 [0,0,0,0,0,0|2,1,1]=4 283 B7R0.1 [13CH3]SCCOCCO 62a_200025704644_100011215305 [0,0,0,0,0,0|2,1,1]=4 284 B6R0.6 C#CCCCNC 2230a_106832991635_100000731252 [1,0,0,0,0,0|2,0,1]=4 285 B6R0.6 C#CCCCNC 34a_100000718082_200000210301 [1,0,0,0,0,0|2,0,1]=4 286 B6R0.6 C#CCCCNC 34a_100102657272_100000695029 [1,0,0,0,0,0|2,0,1]=4 287 B6R0.6 C#CCCCNC 7a_106832991635_100011215417 [1,0,0,0,0,0|2,0,1]=4 288 B6R0.6 C#CCCCN[13CH3] 34a_100000718082_200025704644 [1,0,0,0,0,0|2,0,1]=4 289 B6R0.6 C#CCCCOC 34a_100000215630_200000210301 [1,0,0,0,0,0|1,1,1]=4 290 B6R0.6 C#CCCCOC 34a_100138415774_100000695029 [1,0,0,0,0,0|1,1,1]=4 291 B6R0.6 C#CCCCOC 7a_100000215630_200000210301 [1,0,0,0,0,0|1,1,1]=4 292 B6R0.6 C#CCCCO[13CH3] 34a_100000215630_200025704644 [1,0,0,0,0,0|1,1,1]=4 293 B6R0.6 C#CCCCO[13CH3] 7a_100000215630_200025704644 [1,0,0,0,0,0|1,1,1]=4 294 B6R0.6 C#CCCCSC 62a_100011215417_200000210301 [1,0,0,0,0,0|1,0,1]=3 295 B6R0.6 C#CCCCSC 62a_200000210301_100011215417 [1,0,0,0,0,0|1,0,1]=3 296 B6R0.6 C#CCCCS[13CH3] 62a_100011215417_200025704644 [1,0,0,0,0,0|1,0,1]=3 297 B6R0.6 C#CCCCS[13CH3] 62a_200025704644_100011215417 [1,0,0,0,0,0|1,0,1]=3 298 B6R0.6 C#CCNCSC 34a_100000212058_100011218213 [1,0,0,0,0,0|2,0,1]=4 299 B6R0.6 C#CCOCSC 34a_100000210247_100011218213 [1,0,0,0,0,0|2,0,1]=4 300 B6R0.6 C#CCSCSC 62a_100000038162_100011218213 [1,0,0,0,0,0|2,0,1]=4 301 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [1,0,0,0,0,0|2,0,1]=4 302 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [1,0,0,0,0,0|2,0,1]=4 303 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [1,0,0,0,0,0|2,0,1]=4 304 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [1,0,0,0,0,0|2,0,1]=4 305 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [1,0,0,0,0,0|2,0,1]=4 306 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [1,0,0,0,0,0|2,0,1]=4 307 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [1,0,0,0,0,0|2,0,1]=4 308 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [1,0,0,0,0,0|1,1,1]=4 309 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [1,0,0,0,0,0|1,1,1]=4 310 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [1,0,0,0,0,0|1,1,1]=4 311 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [1,0,0,0,0,0|1,1,1]=4 312 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [1,0,0,0,0,0|1,1,1]=4 313 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [1,0,0,0,0,0|1,0,1]=3 314 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [1,0,0,0,0,0|1,0,1]=3 315 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [1,0,0,0,0,0|1,0,1]=3 316 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [1,0,0,0,0,0|1,0,1]=3 317 B6R0.6 C=CCNCSC 2230a_100020586998_100011218213 [1,0,0,0,0,0|2,0,1]=4 318 B6R0.6 C=CCOCSC 34a_200000210373_100011218213 [1,0,0,0,0,0|2,0,1]=4 319 B6R0.6 C=CCSCSC 62a_100000210623_100011218213 [1,0,0,0,0,0|2,0,1]=4 320 B6R0.6 C=CCSCSC 62a_100011218213_100000210623 [1,0,0,0,0,0|2,0,1]=4 321 B6R0.6 C=COCCSC 62a_100000039644_200000210301 [1,0,0,0,0,0|2,0,1]=4 322 B6R0.6 C=COCCSC 62a_200000210301_100000039644 [1,0,0,0,0,0|2,0,1]=4 323 B6R0.6 C=COCCS[13CH3] 62a_100000039644_200025704644 [1,0,0,0,0,0|2,0,1]=4 324 B6R0.6 C=COCCS[13CH3] 62a_200025704644_100000039644 [1,0,0,0,0,0|2,0,1]=4 325 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [1,0,0,0,0,0|2,0,1]=4 326 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [1,0,0,0,0,0|1,0,2]=4 327 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [1,0,0,0,0,0|1,0,2]=4 328 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [1,0,0,0,0,0|1,0,2]=4 329 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [1,0,0,0,0,0|1,0,2]=4 330 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [1,0,0,0,0,0|1,0,2]=4 331 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [1,0,0,0,0,0|1,1,1]=4 332 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [1,0,0,0,0,0|1,1,1]=4 333 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [1,0,0,0,0,0|1,1,1]=4 334 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [1,0,0,0,0,0|1,1,1]=4 335 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [1,0,0,0,0,0|1,1,1]=4 336 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [1,0,0,0,0,0|1,0,1]=3 337 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [1,0,0,0,0,0|1,0,1]=3 338 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [1,0,0,0,0,0|1,0,1]=3 339 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [1,0,0,0,0,0|1,0,1]=3 340 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [1,0,0,0,0,0|1,0,2]=4 341 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [1,0,0,0,0,0|1,0,2]=4 342 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [1,0,0,0,0,0|1,0,2]=4 343 B6R0.6 CCCCNCF 7a_106832991798_100015361967 [1,0,0,0,0,0|1,0,2]=4 344 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [1,0,0,0,0,0|2,0,1]=4 345 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [1,0,0,0,0,0|2,0,1]=4 346 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [1,0,0,0,0,0|2,0,1]=4 347 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [1,0,0,0,0,0|2,0,1]=4 348 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [1,0,0,0,0,0|2,0,1]=4 349 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [1,0,0,0,0,0|2,0,1]=4 350 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [1,0,0,0,0,0|2,0,1]=4 351 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [1,0,0,0,0,0|2,0,1]=4 352 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [1,0,0,0,0,0|2,0,1]=4 353 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [1,0,0,0,0,0|2,0,1]=4 354 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [1,0,0,0,0,0|2,0,1]=4 355 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [1,0,0,0,0,0|2,0,1]=4 356 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [1,0,0,0,0,0|1,0,2]=4 357 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [1,0,0,0,0,0|1,0,2]=4 358 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [1,0,0,0,0,0|2,0,1]=4 359 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [1,0,0,0,0,0|2,0,1]=4 360 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [1,0,0,0,0,0|2,0,1]=4 361 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [1,0,0,0,0,0|2,0,1]=4 362 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [1,0,0,0,0,0|2,0,1]=4 363 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [1,0,0,0,0,0|2,0,1]=4 364 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [1,0,0,0,0,0|2,0,1]=4 365 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [1,0,0,0,0,0|2,0,1]=4 366 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [1,0,0,0,0,0|2,0,1]=4 367 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [1,0,0,0,0,0|2,0,1]=4 368 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [1,0,0,0,0,0|2,0,1]=4 369 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [1,0,0,0,0,0|2,0,1]=4 370 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [1,0,0,0,0,0|2,0,1]=4 371 B6R0.6 CNCCCC#N 2230a_106832991635_100000687738 [1,0,0,0,0,0|2,0,1]=4 372 B6R0.6 CNCCCC#N 7a_106832991635_100000687738 [1,0,0,0,0,0|2,0,1]=4 373 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [1,0,0,0,0,0|1,1,1]=4 374 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [1,0,0,0,0,0|1,1,1]=4 375 B6R0.6 CNCCCCF 2230a_106832991635_100000729493 [1,0,0,0,0,0|2,0,1]=4 376 B6R0.6 CNCCCCF 34a_100102657272_100000729493 [1,0,0,0,0,0|2,0,1]=4 377 B6R0.6 CNCCCCF 7a_106832991635_100000729493 [1,0,0,0,0,0|2,0,1]=4 378 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [1,0,0,0,0,0|1,1,1]=4 379 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [1,0,0,0,0,0|1,1,1]=4 380 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [1,0,0,0,0,0|1,1,1]=4 381 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [1,0,0,0,0,0|1,1,1]=4 382 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [1,0,0,0,0,0|1,1,1]=4 383 B6R0.6 CNCCCOC 2230a_106832991635_100000740836 [1,0,0,0,0,0|0,1,2]=4 384 B6R0.6 CNCCCOC 34a_100000213112_200000210301 [1,0,0,0,0,0|0,1,2]=4 385 B6R0.6 CNCCCOC 34a_100102657272_100000740836 [1,0,0,0,0,0|0,1,2]=4 386 B6R0.6 CNCCCOC 34a_100150723488_200000210301 [1,0,0,0,0,0|0,1,2]=4 387 B6R0.6 CNCCCOC 7a_106832991635_100000740836 [1,0,0,0,0,0|0,1,2]=4 388 B6R0.6 CNCCCO[13CH3] 34a_100000213112_200025704644 [1,0,0,0,0,0|0,1,2]=4 389 B6R0.6 CNCCCSC 2230a_100000749238_200000210301 [1,0,0,0,0,0|0,0,2]=3 390 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [1,0,0,0,0,0|1,1,1]=4 391 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [1,0,0,0,0,0|1,1,1]=4 392 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [1,0,0,0,0,0|1,1,1]=4 393 B6R0.6 COCCCCF 34a_100011995726_200000210301 [1,0,0,0,0,0|1,1,1]=4 394 B6R0.6 COCCCCF 34a_100138415774_100000729493 [1,0,0,0,0,0|1,1,1]=4 395 B6R0.6 COCCCCF 7a_100011995726_200000210301 [1,0,0,0,0,0|1,1,1]=4 396 B6R0.6 COCCCCI 34a_200012148704_200000210301 [1,0,0,0,0,0|1,1,1]=4 397 B6R0.6 COCCCCN 34a_100000750430_200000210301 [1,0,0,0,0,0|1,1,1]=4 398 B6R0.6 COCCCCO 34a_100138415774_100011216708 [1,0,0,0,0,0|0,2,1]=4 399 B6R0.6 COCCCN[13CH3] 34a_100150723488_200025704644 [1,0,0,0,0,0|0,1,2]=4 400 B6R0.6 COCCCOC 34a_100000740835_200000210301 [1,0,0,0,0,0|1,1,1]=4 401 B6R0.6 COCCCOC 34a_100138415774_100000740836 [1,0,0,0,0,0|1,1,1]=4 402 B6R0.6 COCCCO[13CH3] 34a_100000740835_200025704644 [1,0,0,0,0,0|1,1,1]=4 403 B6R0.6 COCCCSC 34a_100000690336_200000210301 [1,0,0,0,0,0|1,0,1]=3 404 B6R0.6 COCCCSC 62a_100000709357_200000210301 [1,0,0,0,0,0|1,0,1]=3 405 B6R0.6 COCCCSC 62a_200000210301_100000709357 [1,0,0,0,0,0|1,0,1]=3 406 B6R0.6 COCCCSC 7a_100000690336_200000210301 [1,0,0,0,0,0|1,0,1]=3 407 B6R0.6 COCCCS[13CH3] 62a_100000709357_200025704644 [1,0,0,0,0,0|1,0,1]=3 408 B6R0.6 COCCCS[13CH3] 62a_200025704644_100000709357 [1,0,0,0,0,0|1,0,1]=3 409 B6R0.6 COCSCSC 62a_100000766300_100011218213 [1,0,0,0,0,0|2,0,1]=4 410 B6R0.6 COCSCSC 62a_100011218213_100000766300 [1,0,0,0,0,0|2,0,1]=4 411 B6R0.6 CSCCCC#N 62a_100000687738_200000210301 [1,0,0,0,0,0|1,0,1]=3 412 B6R0.6 CSCCCC#N 62a_200000210301_100000687738 [1,0,0,0,0,0|1,0,1]=3 413 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [1,0,0,0,0,0|0,1,1]=3 414 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [1,0,0,0,0,0|0,1,1]=3 415 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [1,0,0,0,0,0|1,0,1]=3 416 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [1,0,0,0,0,0|1,0,1]=3 417 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [1,0,0,0,0,0|0,1,1]=3 418 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [1,0,0,0,0,0|0,1,1]=3 419 B6R0.6 CSCCCN[13CH3] 2230a_100000749238_200025704644 [1,0,0,0,0,0|0,0,2]=3 420 B6R0.6 CSCCCO[13CH3] 34a_100000690336_200025704644 [1,0,0,0,0,0|1,0,1]=3 421 B6R0.6 CSCCCO[13CH3] 7a_100000690336_200025704644 [1,0,0,0,0,0|1,0,1]=3 422 B6R0.6 CSCCOCF 34a_100000230434_100015361967 [1,0,0,0,0,0|2,0,1]=4 423 B6R0.6 CSCCOCF 7a_100000230434_100015361967 [1,0,0,0,0,0|2,0,1]=4 424 B6R0.6 CSCCSC#N 62a_100000034367_200000210301 [1,0,0,0,0,0|2,0,1]=4 425 B6R0.6 CSCCSC#N 62a_200000210301_100000034367 [1,0,0,0,0,0|2,0,1]=4 426 B6R0.6 CSCCSCF 62a_100000212216_100015361967 [1,0,0,0,0,0|2,0,1]=4 427 B6R0.6 CSCCSCF 62a_100015361967_100000751147 [1,0,0,0,0,0|2,0,1]=4 428 B6R0.6 CSCNCCF 34a_100000724931_100011218213 [1,0,0,0,0,0|2,0,1]=4 429 B6R0.6 CSCNCCO 2230a_100016997473_100011218213 [1,0,0,0,0,0|1,1,1]=4 430 B6R0.6 CSCNCCO 34a_100016990907_100011218213 [1,0,0,0,0,0|1,1,1]=4 431 B6R0.6 CSCOCCBr 34a_100000211926_100011218213 [1,0,0,0,0,0|2,0,1]=4 432 B6R0.6 CSCOCCN 34a_100000210304_100011218213 [1,0,0,0,0,0|2,0,1]=4 433 B6R0.6 CSCSCC#N 62a_100011215382_100011218213 [1,0,0,0,0,0|2,0,1]=4 434 B6R0.6 CSCSCC#N 62a_100011218213_100011215382 [1,0,0,0,0,0|2,0,1]=4 435 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [1,0,0,0,0,0|1,1,1]=4 436 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [1,0,0,0,0,0|1,1,1]=4 437 B6R0.6 CSCSCCF 62a_100011217306_100011218213 [1,0,0,0,0,0|2,0,1]=4 438 B6R0.6 CSCSCCF 62a_100011218213_100011217306 [1,0,0,0,0,0|2,0,1]=4 439 B6R0.6 CSCSCCO 62a_100000211926_100011218213 [1,0,0,0,0,0|1,1,1]=4 440 B6R0.6 CSCSCCO 62a_100011218213_100000211926 [1,0,0,0,0,0|1,1,1]=4 441 B6R0.6 CSCSCSC 62a_100011218213_100011218213 [1,0,0,0,0,0|2,0,1]=4 442 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [1,0,0,0,0,0|1,1,1]=4 443 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [1,0,0,0,0,0|1,1,1]=4 444 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [1,0,0,0,0,0|1,1,1]=4 445 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [1,0,0,0,0,0|1,1,1]=4 446 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [1,0,0,0,0,0|1,1,1]=4 447 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [1,0,0,0,0,0|1,1,1]=4 448 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [1,0,0,0,0,0|1,1,1]=4 449 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [1,0,0,0,0,0|1,1,1]=4 450 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [1,0,0,0,0,0|1,1,1]=4 451 B6R0.6 [13CH3]SCCCC#N 62a_100000687738_200025704644 [1,0,0,0,0,0|1,0,1]=3 452 B6R0.6 [13CH3]SCCCC#N 62a_200025704644_100000687738 [1,0,0,0,0,0|1,0,1]=3 453 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [1,0,0,0,0,0|0,1,1]=3 454 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [1,0,0,0,0,0|0,1,1]=3 455 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [1,0,0,0,0,0|1,0,1]=3 456 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [1,0,0,0,0,0|1,0,1]=3 457 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [1,0,0,0,0,0|0,1,1]=3 458 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [1,0,0,0,0,0|0,1,1]=3 459 B6R0.6 [13CH3]SCCSC#N 62a_100000034367_200025704644 [1,0,0,0,0,0|2,0,1]=4 460 B6R0.6 [13CH3]SCCSC#N 62a_200025704644_100000034367 [1,0,0,0,0,0|2,0,1]=4 461 B8R0.1 CCNC(C)CCSC 270004a_100015525214_100011217047 [0,1,0,0,0,0|1,0,2]=4 462 B8R0.1 COC[C@@H](N)CCSC 34a_100011827619_200000210301 [0,1,0,0,0,0|3,0,0]=4 463 B8R0.1 CSCC[C@H](N)CO[13CH3] 34a_100011827619_200025704644 [0,1,0,0,0,0|3,0,0]=4 464 B8R0.4 C#CCCCCCSC 62a_100012094781_200000210301 [0,1,0,0,0,0|2,0,1]=4 465 B8R0.4 C#CCCCCCSC 62a_200000210301_100012094781 [0,1,0,0,0,0|2,0,1]=4 466 B8R0.4 C#CCCCCCS[13CH3] 62a_100012094781_200025704644 [0,1,0,0,0,0|2,0,1]=4 467 B8R0.4 C#CCCCCCS[13CH3] 62a_200025704644_100012094781 [0,1,0,0,0,0|2,0,1]=4 468 B8R0.4 C#CCCCCSCC 62a_100000210202_100010269958 [0,1,0,0,0,0|2,0,1]=4 469 B8R0.4 C#CCCCCSCC 62a_100010269958_100000210202 [0,1,0,0,0,0|2,0,1]=4 470 B8R0.4 C#CCCCCSCF 62a_100010269958_100015361967 [0,1,0,0,0,0|2,0,1]=4 471 B8R0.4 C#CCCCCSCF 62a_100015361967_100010269958 [0,1,0,0,0,0|2,0,1]=4 472 B8R0.4 C#CCCCNCSC 34a_100000718082_100011218213 [0,1,0,0,0,0|2,0,1]=4 473 B8R0.4 C#CCCCOCSC 34a_100000215630_100011218213 [0,1,0,0,0,0|2,0,1]=4 474 B8R0.4 C#CCCCSCSC 62a_100011215417_100011218213 [0,1,0,0,0,0|2,0,1]=4 475 B8R0.4 C#CCCCSCSC 62a_100011218213_100011215417 [0,1,0,0,0,0|2,0,1]=4 476 B8R0.4 C#CCCNCCSC 2230a_100020590264_100000688953 [0,1,0,0,0,0|2,0,1]=4 477 B8R0.4 C#CCCNCCSC 34a_100000755551_100000212216 [0,1,0,0,0,0|2,0,1]=4 478 B8R0.4 C#CCCOCCSC 34a_100000230434_100000688953 [0,1,0,0,0,0|2,0,1]=4 479 B8R0.4 C#CCCOCCSC 34a_100011215631_100000212216 [0,1,0,0,0,0|2,0,1]=4 480 B8R0.4 C#CCCOCCSC 7a_100000230434_100000688953 [0,1,0,0,0,0|2,0,1]=4 481 B8R0.4 C#CCCSCCSC 62a_100000212216_100000688953 [0,1,0,0,0,0|2,0,1]=4 482 B8R0.4 C#CCCSCCSC 62a_100000688953_100000751147 [0,1,0,0,0,0|2,0,1]=4 483 B8R0.4 C#CCNCCCSC 2230a_100000749238_100000038162 [0,1,0,0,0,0|1,0,2]=4 484 B8R0.4 C#CCOCCCSC 34a_100000690336_100000184674 [0,1,0,0,0,0|2,0,1]=4 485 B8R0.4 C#CCOCCCSC 7a_100000690336_100000038162 [0,1,0,0,0,0|2,0,1]=4 486 B8R0.4 C/C=C/CCOCSC 34a_100016278192_100011218213 [0,1,0,0,0,0|2,0,1]=4 487 B8R0.4 C/C=C/COCCSC 34a_100000230434_100102629194 [0,1,0,0,0,0|2,0,1]=4 488 B8R0.4 C/C=C/COCCSC 34a_100016270725_100000212216 [0,1,0,0,0,0|2,0,1]=4 489 B8R0.4 C/C=C/COCCSC 7a_100000230434_100102629194 [0,1,0,0,0,0|2,0,1]=4 490 B8R0.4 C/C=C/CSCCSC 62a_100000212216_100102629194 [0,1,0,0,0,0|2,0,1]=4 491 B8R0.4 C/C=C/CSCCSC 62a_100102629194_100000751147 [0,1,0,0,0,0|2,0,1]=4 492 B8R0.4 C=CCCCCCSC 62a_100000700193_200000210301 [0,1,0,0,0,0|2,0,1]=4 493 B8R0.4 C=CCCCCCSC 62a_200000210301_100000700193 [0,1,0,0,0,0|2,0,1]=4 494 B8R0.4 C=CCCCCCS[13CH3] 62a_100000700193_200025704644 [0,1,0,0,0,0|2,0,1]=4 495 B8R0.4 C=CCCCCCS[13CH3] 62a_200025704644_100000700193 [0,1,0,0,0,0|2,0,1]=4 496 B8R0.4 C=CCCCCSCC 62a_100000210202_100011215482 [0,1,0,0,0,0|2,0,1]=4 497 B8R0.4 C=CCCCCSCC 62a_100011215482_100000210202 [0,1,0,0,0,0|2,0,1]=4 498 B8R0.4 C=CCCCCSCF 62a_100011215482_100015361967 [0,1,0,0,0,0|2,0,1]=4 499 B8R0.4 C=CCCCCSCF 62a_100015361967_100011215482 [0,1,0,0,0,0|2,0,1]=4 500 B8R0.4 C=CCCCNCSC 2230a_100000700776_100011218213 [0,1,0,0,0,0|2,0,1]=4 501 B8R0.4 C=CCCCNCSC 34a_100000700776_100011218213 [0,1,0,0,0,0|2,0,1]=4 502 B8R0.4 C=CCCCOCSC 34a_100000758997_100011218213 [0,1,0,0,0,0|2,0,1]=4 503 B8R0.4 C=CCCCSCSC 62a_100011218213_100000757094 [0,1,0,0,0,0|2,0,1]=4 504 B8R0.4 C=CCCCSCSC 62a_100011713584_100011218213 [0,1,0,0,0,0|2,0,1]=4 505 B8R0.4 C=CCCNCCSC 2230a_100015191253_100000751147 [0,1,0,0,0,0|2,0,1]=4 506 B8R0.4 C=CCCNCCSC 2230a_100020590264_100000754431 [0,1,0,0,0,0|2,0,1]=4 507 B8R0.4 C=CCCOCCSC 34a_100000230434_100000754431 [0,1,0,0,0,0|2,0,1]=4 508 B8R0.4 C=CCCOCCSC 34a_100011205117_100000212216 [0,1,0,0,0,0|2,0,1]=4 509 B8R0.4 C=CCCOCCSC 7a_100000230434_100000754431 [0,1,0,0,0,0|2,0,1]=4 510 B8R0.4 C=CCCSCCSC 62a_100000212216_100000754431 [0,1,0,0,0,0|2,0,1]=4 511 B8R0.4 C=CCCSCCSC 62a_100000754431_100000751147 [0,1,0,0,0,0|2,0,1]=4 512 B8R0.4 C=CCNCCCSC 2230a_100000749238_100000210623 [0,1,0,0,0,0|1,0,2]=4 513 B8R0.4 C=CCOCCCSC 34a_100000690336_100015514636 [0,1,0,0,0,0|2,0,1]=4 514 B8R0.4 C=CCOCCCSC 7a_100000690336_100015514636 [0,1,0,0,0,0|2,0,1]=4 515 B8R0.4 C=COCCOCSC 34a_100000033082_100011218213 [0,1,0,0,0,0|2,0,1]=4 516 B8R0.4 C=COCCSCSC 62a_100000039644_100011218213 [0,1,0,0,0,0|2,0,1]=4 517 B8R0.4 C=COCCSCSC 62a_100011218213_100000039644 [0,1,0,0,0,0|2,0,1]=4 518 B8R0.4 CC#CCCOCSC 34a_100000750427_100011218213 [0,1,0,0,0,0|2,0,1]=4 519 B8R0.4 CC#CCNCCSC 2230a_100000685387_100000751147 [0,1,0,0,0,0|2,0,1]=4 520 B8R0.4 CC#CCNCCSC 2230a_100020590264_100000748600 [0,1,0,0,0,0|2,0,1]=4 521 B8R0.4 CC#CCNCCSC 34a_100000685387_100000212216 [0,1,0,0,0,0|2,0,1]=4 522 B8R0.4 CC#CCOCCSC 34a_100000230434_100000748600 [0,1,0,0,0,0|2,0,1]=4 523 B8R0.4 CC#CCOCCSC 34a_100000761923_100000212216 [0,1,0,0,0,0|2,0,1]=4 524 B8R0.4 CC#CCOCCSC 7a_100000230434_100000748600 [0,1,0,0,0,0|2,0,1]=4 525 B8R0.4 CC#CCSCCSC 62a_100000212216_100000748600 [0,1,0,0,0,0|2,0,1]=4 526 B8R0.4 CC#CCSCCSC 62a_100000748600_100000751147 [0,1,0,0,0,0|2,0,1]=4 527 B8R0.4 CC=CCNCCSC 2230a_100020590264_100000070051 [0,1,0,0,0,0|2,0,1]=4 528 B8R0.4 CC=CCOCCSC 34a_100000230434_100000070051 [0,1,0,0,0,0|2,0,1]=4 529 B8R0.4 CC=CCOCCSC 7a_100000230434_100000070051 [0,1,0,0,0,0|2,0,1]=4 530 B8R0.4 CC=CCSCCSC 62a_100000070051_100000751147 [0,1,0,0,0,0|2,0,1]=4 531 B8R0.4 CC=CCSCCSC 62a_100000212216_100000070051 [0,1,0,0,0,0|2,0,1]=4 532 B8R0.4 CC=NNCCCCC 4a_100000694160_200000210099 [0,1,0,0,0,0|2,0,1]=4 533 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [0,1,0,0,0,0|2,0,1]=4 534 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [0,1,0,0,0,0|2,0,1]=4 535 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [0,1,0,0,0,0|2,0,1]=4 536 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [0,1,0,0,0,0|2,0,1]=4 537 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [0,1,0,0,0,0|2,0,1]=4 538 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [0,1,0,0,0,0|2,0,1]=4 539 B8R0.4 CCCCCCSCF 62a_100000210314_100015361967 [0,1,0,0,0,0|2,0,1]=4 540 B8R0.4 CCCCCCSCF 62a_100015361967_100000210757 [0,1,0,0,0,0|2,0,1]=4 541 B8R0.4 CCCCCNCSC 2230a_100000209983_100011218213 [0,1,0,0,0,0|2,0,1]=4 542 B8R0.4 CCCCCOCSC 34a_100000210253_100011218213 [0,1,0,0,0,0|2,0,1]=4 543 B8R0.4 CCCCCSCSC 62a_100000210326_100011218213 [0,1,0,0,0,0|2,0,1]=4 544 B8R0.4 CCCCCSCSC 62a_100011218213_100000210326 [0,1,0,0,0,0|2,0,1]=4 545 B8R0.4 CCCCNCCSC 2230a_100000102301_100000751147 [0,1,0,0,0,0|2,0,1]=4 546 B8R0.4 CCCCNCCSC 2230a_100020590264_100000210211 [0,1,0,0,0,0|2,0,1]=4 547 B8R0.4 CCCCNCCSC 7a_106832991798_100000212216 [0,1,0,0,0,0|2,0,1]=4 548 B8R0.4 CCCCOCCSC 34a_100000210227_100000212216 [0,1,0,0,0,0|2,0,1]=4 549 B8R0.4 CCCCOCCSC 34a_100000230434_100000210210 [0,1,0,0,0,0|2,0,1]=4 550 B8R0.4 CCCCOCCSC 62a_100000743108_200000210301 [0,1,0,0,0,0|2,0,1]=4 551 B8R0.4 CCCCOCCSC 62a_200000210301_100000743108 [0,1,0,0,0,0|2,0,1]=4 552 B8R0.4 CCCCOCCSC 7a_100000210227_100000212216 [0,1,0,0,0,0|2,0,1]=4 553 B8R0.4 CCCCOCCSC 7a_100000230434_100000210211 [0,1,0,0,0,0|2,0,1]=4 554 B8R0.4 CCCCOCCS[13CH3] 62a_100000743108_200025704644 [0,1,0,0,0,0|2,0,1]=4 555 B8R0.4 CCCCOCCS[13CH3] 62a_200025704644_100000743108 [0,1,0,0,0,0|2,0,1]=4 556 B8R0.4 CCCCSCCSC 62a_100000210211_100000751147 [0,1,0,0,0,0|2,0,1]=4 557 B8R0.4 CCCCSCCSC 62a_100000212216_100000210210 [0,1,0,0,0,0|2,0,1]=4 558 B8R0.4 CCCNCCCSC 2230a_100000749238_100000210303 [0,1,0,0,0,0|1,0,2]=4 559 B8R0.4 CCCOCCCSC 34a_100000690336_100000210303 [0,1,0,0,0,0|2,0,1]=4 560 B8R0.4 CCCOCCCSC 7a_100000690336_100000210303 [0,1,0,0,0,0|2,0,1]=4 561 B8R0.4 CCNCCCN=[N+]=[N-] 2230a_100000744732_100000210202 [0,1,0,0,0,0|3,0,0]=4 562 B8R0.4 CCNN=CCCSC 4a_100000756455_100000210997 [0,1,0,0,0,0|1,0,2]=4 563 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [0,1,0,0,0,0|2,0,1]=4 564 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [0,1,0,0,0,0|2,0,1]=4 565 B8R0.4 CCOCCCSCC 34a_100011216438_100000210202 [0,1,0,0,0,0|2,0,1]=4 566 B8R0.4 CCOCCCSCC 62a_100000210202_100012232248 [0,1,0,0,0,0|2,0,1]=4 567 B8R0.4 CCOCCCSCC 62a_100012232248_100000210202 [0,1,0,0,0,0|2,0,1]=4 568 B8R0.4 CCOCCCSCC 7a_100011216438_100000210202 [0,1,0,0,0,0|2,0,1]=4 569 B8R0.4 CCOCCCSCF 62a_100012232248_100015361967 [0,1,0,0,0,0|2,0,1]=4 570 B8R0.4 CCOCCCSCF 62a_100015361967_100012232248 [0,1,0,0,0,0|2,0,1]=4 571 B8R0.4 CCOCCNCSC 2230a_102516460346_100011218213 [0,1,0,0,0,0|2,0,1]=4 572 B8R0.4 CCOCCNCSC 34a_102516460346_100011218213 [0,1,0,0,0,0|2,0,1]=4 573 B8R0.4 CCOCCOCSC 34a_100000210136_100011218213 [0,1,0,0,0,0|2,0,1]=4 574 B8R0.4 CCOCCSCSC 62a_100000210147_100011218213 [0,1,0,0,0,0|2,0,1]=4 575 B8R0.4 CCOCCSCSC 62a_100011218213_100011215890 [0,1,0,0,0,0|2,0,1]=4 576 B8R0.4 CCOCSCCSC 62a_100000212216_100000739092 [0,1,0,0,0,0|2,0,1]=4 577 B8R0.4 CCOCSCCSC 62a_100000739092_100000751147 [0,1,0,0,0,0|2,0,1]=4 578 B8R0.4 CCSCCCCC#N 62a_100000210202_100000211819 [0,1,0,0,0,0|2,0,1]=4 579 B8R0.4 CCSCCCCC#N 62a_100011219923_100000210202 [0,1,0,0,0,0|2,0,1]=4 580 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [0,1,0,0,0,0|1,1,1]=4 581 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [0,1,0,0,0,0|1,1,1]=4 582 B8R0.4 CCSCCCCCF 62a_100000210202_100000729378 [0,1,0,0,0,0|2,0,1]=4 583 B8R0.4 CCSCCCCCF 62a_100000729378_100000210202 [0,1,0,0,0,0|2,0,1]=4 584 B8R0.4 CCSCCCCCO 62a_100000210202_100000746330 [0,1,0,0,0,0|1,1,1]=4 585 B8R0.4 CCSCCCCCO 62a_100000746330_100000210202 [0,1,0,0,0,0|1,1,1]=4 586 B8R0.4 CCSCCCCOC 62a_100000210202_100000730899 [0,1,0,0,0,0|3,0,0]=4 587 B8R0.4 CCSCCCCOC 62a_100000730899_100000210202 [0,1,0,0,0,0|3,0,0]=4 588 B8R0.4 CCSCCCOCF 34a_100011216438_100015361967 [0,1,0,0,0,0|2,0,1]=4 589 B8R0.4 CCSCCCOCF 7a_100011216438_100015361967 [0,1,0,0,0,0|2,0,1]=4 590 B8R0.4 CCSCCNCSC 2230a_100000106463_100011218213 [0,1,0,0,0,0|2,0,1]=4 591 B8R0.4 CCSCCOCSC 34a_100000212035_100011218213 [0,1,0,0,0,0|2,0,1]=4 592 B8R0.4 CCSCCSCSC 62a_100000757381_100011218213 [0,1,0,0,0,0|2,0,1]=4 593 B8R0.4 CCSCCSCSC 62a_100011218213_100000757381 [0,1,0,0,0,0|2,0,1]=4 594 B8R0.4 CNCCCCN=[N+]=[N-] 2230a_100000101370_200000210301 [0,1,0,0,0,0|3,0,0]=4 595 B8R0.4 CNCCCOCSC 34a_100000213112_100011218213 [0,1,0,0,0,0|3,0,0]=4 596 B8R0.4 COCCCCSCF 62a_100000730899_100015361967 [0,1,0,0,0,0|3,0,0]=4 597 B8R0.4 COCCCCSCF 62a_100015361967_100000730899 [0,1,0,0,0,0|3,0,0]=4 598 B8R0.4 COCCCNCSC 34a_100150723488_100011218213 [0,1,0,0,0,0|3,0,0]=4 599 B8R0.4 COCCCOCSC 34a_100000740835_100011218213 [0,1,0,0,0,0|3,0,0]=4 600 B8R0.4 COCCCSCSC 62a_100000709357_100011218213 [0,1,0,0,0,0|3,0,0]=4 601 B8R0.4 COCCCSCSC 62a_100011218213_100000709357 [0,1,0,0,0,0|3,0,0]=4 602 B8R0.4 COCCNCCSC 2230a_100000209980_100000751147 [0,1,0,0,0,0|3,0,0]=4 603 B8R0.4 COCCNCCSC 2230a_100020590264_100011201679 [0,1,0,0,0,0|3,0,0]=4 604 B8R0.4 COCCOCCSC 34a_100000210237_100000212216 [0,1,0,0,0,0|3,0,0]=4 605 B8R0.4 COCCOCCSC 34a_100000230434_100011201679 [0,1,0,0,0,0|3,0,0]=4 606 B8R0.4 COCCOCCSC 62a_100000695917_200000210301 [0,1,0,0,0,0|3,0,0]=4 607 B8R0.4 COCCOCCSC 62a_200000210301_100000695917 [0,1,0,0,0,0|3,0,0]=4 608 B8R0.4 COCCOCCSC 7a_100000230434_100000233755 [0,1,0,0,0,0|3,0,0]=4 609 B8R0.4 COCCOCCS[13CH3] 62a_100000695917_200025704644 [0,1,0,0,0,0|3,0,0]=4 610 B8R0.4 COCCOCCS[13CH3] 62a_200025704644_100000695917 [0,1,0,0,0,0|3,0,0]=4 611 B8R0.4 COCCSCCSC 62a_100000212216_100000233755 [0,1,0,0,0,0|3,0,0]=4 612 B8R0.4 COCCSCCSC 62a_100000233755_100000751147 [0,1,0,0,0,0|3,0,0]=4 613 B8R0.4 COCNCCCSC 2230a_100000749238_100000766300 [0,1,0,0,0,0|0,1,2]=4 614 B8R0.4 CSCCCCCC#N 62a_100009813376_200000210301 [0,1,0,0,0,0|2,0,1]=4 615 B8R0.4 CSCCCCCC#N 62a_200000210301_100009813376 [0,1,0,0,0,0|2,0,1]=4 616 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [0,1,0,0,0,0|1,1,1]=4 617 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [0,1,0,0,0,0|1,1,1]=4 618 B8R0.4 CSCCCCCCF 62a_100015922095_200000210301 [0,1,0,0,0,0|2,0,1]=4 619 B8R0.4 CSCCCCCCF 62a_200000210301_100015922095 [0,1,0,0,0,0|2,0,1]=4 620 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [0,1,0,0,0,0|1,1,1]=4 621 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [0,1,0,0,0,0|1,1,1]=4 622 B8R0.4 CSCCCCOCF 34a_100011217163_100015361967 [0,1,0,0,0,0|2,0,1]=4 623 B8R0.4 CSCCCCOCF 7a_100011217163_100015361967 [0,1,0,0,0,0|2,0,1]=4 624 B8R0.4 CSCCCNCC#N 2230a_100000749238_100011215382 [0,1,0,0,0,0|1,0,2]=4 625 B8R0.4 CSCCCNCC=O 2230a_100000749238_200015260668 [0,1,0,0,0,0|0,1,2]=4 626 B8R0.4 CSCCCNCCF 2230a_100000749238_100011217306 [0,1,0,0,0,0|1,0,2]=4 627 B8R0.4 CSCCCNCCO 2230a_100000749238_100000211926 [0,1,0,0,0,0|0,1,2]=4 628 B8R0.4 CSCCCNCSC 2230a_100000749238_100011218213 [0,1,0,0,0,0|0,0,3]=4 629 B8R0.4 CSCCCOCC#N 7a_100000690336_100011215382 [0,1,0,0,0,0|2,0,1]=4 630 B8R0.4 CSCCCOCC=O 34a_100000690336_200009817547 [0,1,0,0,0,0|1,1,1]=4 631 B8R0.4 CSCCCOCC=O 7a_100000690336_200015260668 [0,1,0,0,0,0|1,1,1]=4 632 B8R0.4 CSCCCOCCF 34a_100000690336_100011217306 [0,1,0,0,0,0|2,0,1]=4 633 B8R0.4 CSCCCOCCF 7a_100000690336_100011217306 [0,1,0,0,0,0|2,0,1]=4 634 B8R0.4 CSCCCOCCO 34a_100000690336_100000211926 [0,1,0,0,0,0|1,1,1]=4 635 B8R0.4 CSCCCOCCO 7a_100000690336_100000211926 [0,1,0,0,0,0|1,1,1]=4 636 B8R0.4 CSCCCOCSC 34a_100000690336_100011218213 [0,1,0,0,0,0|1,0,2]=4 637 B8R0.4 CSCCNCCC#N 2230a_100020590264_100011215226 [0,1,0,0,0,0|2,0,1]=4 638 B8R0.4 CSCCNCCCF 2230a_100015189416_100000751147 [0,1,0,0,0,0|2,0,1]=4 639 B8R0.4 CSCCNCCCF 2230a_100020590264_100011934791 [0,1,0,0,0,0|2,0,1]=4 640 B8R0.4 CSCCNCCCF 34a_100015189416_100000212216 [0,1,0,0,0,0|2,0,1]=4 641 B8R0.4 CSCCNCCCO 2230a_100020590264_100000230001 [0,1,0,0,0,0|1,1,1]=4 642 B8R0.4 CSCCNCCSC 2230a_100020590264_100000751147 [0,1,0,0,0,0|3,0,0]=4 643 B8R0.4 CSCCOCCC#N 7a_100000230434_100000184422 [0,1,0,0,0,0|2,0,1]=4 644 B8R0.4 CSCCOCCCBr 34a_100011217188_100000212216 [0,1,0,0,0,0|2,0,1]=4 645 B8R0.4 CSCCOCCCCl 34a_100000230001_100000212216 [0,1,0,0,0,0|2,0,1]=4 646 B8R0.4 CSCCOCCCF 34a_100000230434_100011934791 [0,1,0,0,0,0|2,0,1]=4 647 B8R0.4 CSCCOCCCF 34a_100000759539_100000212216 [0,1,0,0,0,0|2,0,1]=4 648 B8R0.4 CSCCOCCCF 7a_100000230434_100011934791 [0,1,0,0,0,0|2,0,1]=4 649 B8R0.4 CSCCOCCCN 34a_100000182051_100000212216 [0,1,0,0,0,0|2,0,1]=4 650 B8R0.4 CSCCOCCCO 34a_100000230434_100000230001 [0,1,0,0,0,0|1,1,1]=4 651 B8R0.4 CSCCOCCCO 7a_100000230434_100011215043 [0,1,0,0,0,0|1,1,1]=4 652 B8R0.4 CSCCOCCON 34a_100000700252_100000212216 [0,1,0,0,0,0|3,0,0]=4 653 B8R0.4 CSCCOCCSC 34a_100000230434_100000212216 [0,1,0,0,0,0|3,0,0]=4 654 B8R0.4 CSCCOCCSC 7a_100000230434_100000212216 [0,1,0,0,0,0|3,0,0]=4 655 B8R0.4 CSCCSCCC#N 62a_100000212216_100011215226 [0,1,0,0,0,0|2,0,1]=4 656 B8R0.4 CSCCSCCC#N 62a_100011215226_100000751147 [0,1,0,0,0,0|2,0,1]=4 657 B8R0.4 CSCCSCCCF 62a_100000212216_100011934791 [0,1,0,0,0,0|2,0,1]=4 658 B8R0.4 CSCCSCCCF 62a_100011934791_100000751147 [0,1,0,0,0,0|2,0,1]=4 659 B8R0.4 CSCCSCCCO 62a_100000212216_100011215043 [0,1,0,0,0,0|1,1,1]=4 660 B8R0.4 CSCCSCCCO 62a_100011215043_100000751147 [0,1,0,0,0,0|1,1,1]=4 661 B8R0.4 CSCCSCCSC 62a_100000212216_100000751147 [0,1,0,0,0,0|3,0,0]=4 662 B8R0.4 CSCCSCSC#N 62a_100000211825_100000751147 [0,1,0,0,0,0|2,0,1]=4 663 B8R0.4 CSCCSCSC#N 62a_100000212216_100000211825 [0,1,0,0,0,0|2,0,1]=4 664 B8R0.4 CSCNCCCCO 2230a_100000750430_100011218213 [0,1,0,0,0,0|1,1,1]=4 665 B8R0.4 CSCNCCCCO 34a_100000750430_100011218213 [0,1,0,0,0,0|1,1,1]=4 666 B8R0.4 CSCOCCCCBr 34a_100011216708_100011218213 [0,1,0,0,0,0|2,0,1]=4 667 B8R0.4 CSCOCCCCCl 34a_100000210776_100011218213 [0,1,0,0,0,0|2,0,1]=4 668 B8R0.4 CSCOCCCCF 34a_100011995726_100011218213 [0,1,0,0,0,0|2,0,1]=4 669 B8R0.4 CSCOCCCCI 34a_200012148704_100011218213 [0,1,0,0,0,0|2,0,1]=4 670 B8R0.4 CSCOCCCCN 34a_100000750430_100011218213 [0,1,0,0,0,0|2,0,1]=4 671 B8R0.4 CSCSCCCC#N 62a_100000687738_100011218213 [0,1,0,0,0,0|2,0,1]=4 672 B8R0.4 CSCSCCCC#N 62a_100011218213_100000687738 [0,1,0,0,0,0|2,0,1]=4 673 B8R0.4 CSCSCCCC=O 62a_100011218213_200011292268 [0,1,0,0,0,0|1,1,1]=4 674 B8R0.4 CSCSCCCC=O 62a_200011292268_100011218213 [0,1,0,0,0,0|1,1,1]=4 675 B8R0.4 CSCSCCCCF 62a_100000729493_100011218213 [0,1,0,0,0,0|2,0,1]=4 676 B8R0.4 CSCSCCCCF 62a_100011218213_100000729493 [0,1,0,0,0,0|2,0,1]=4 677 B8R0.4 CSCSCCCCO 62a_100000210776_100011218213 [0,1,0,0,0,0|1,1,1]=4 678 B8R0.4 CSCSCCCCO 62a_100011218213_100000210776 [0,1,0,0,0,0|1,1,1]=4 679 B8R0.4 CSCSCCSC#N 62a_100000034367_100011218213 [0,1,0,0,0,0|2,0,1]=4 680 B8R0.4 CSCSCCSC#N 62a_100011218213_100000034367 [0,1,0,0,0,0|2,0,1]=4 681 B8R0.4 FCCCCCSCF 62a_100000729378_100015361967 [0,1,0,0,0,0|2,0,1]=4 682 B8R0.4 FCCCCCSCF 62a_100015361967_100000729378 [0,1,0,0,0,0|2,0,1]=4 683 B8R0.4 N#CCCCCSCF 62a_100011219923_100015361967 [0,1,0,0,0,0|2,0,1]=4 684 B8R0.4 N#CCCCCSCF 62a_100015361967_100000211819 [0,1,0,0,0,0|2,0,1]=4 685 B8R0.4 O=CCCCCSCF 62a_100000139335_100015361967 [0,1,0,0,0,0|1,1,1]=4 686 B8R0.4 O=CCCCCSCF 62a_100015361967_100000139335 [0,1,0,0,0,0|1,1,1]=4 687 B8R0.4 OCCCCCSCF 62a_100000746330_100015361967 [0,1,0,0,0,0|1,1,1]=4 688 B8R0.4 OCCCCCSCF 62a_100015361967_100000746330 [0,1,0,0,0,0|1,1,1]=4 689 B8R0.4 [13CH3]NCCCCN=[N+]=[N-] 2230a_100000101370_200025704644 [0,1,0,0,0,0|3,0,0]=4 690 B8R0.4 [13CH3]SCCCCCC#N 62a_100009813376_200025704644 [0,1,0,0,0,0|2,0,1]=4 691 B8R0.4 [13CH3]SCCCCCC#N 62a_200025704644_100009813376 [0,1,0,0,0,0|2,0,1]=4 692 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [0,1,0,0,0,0|1,1,1]=4 693 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [0,1,0,0,0,0|1,1,1]=4 694 B8R0.4 [13CH3]SCCCCCCF 62a_100015922095_200025704644 [0,1,0,0,0,0|2,0,1]=4 695 B8R0.4 [13CH3]SCCCCCCF 62a_200025704644_100015922095 [0,1,0,0,0,0|2,0,1]=4 696 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [0,1,0,0,0,0|1,1,1]=4 697 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [0,1,0,0,0,0|1,1,1]=4 698 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [0,1,0,0,0,0|2,0,1]=4 699 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [0,1,0,0,0,0|2,0,1]=4 700 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [0,1,0,0,0,0|2,0,1]=4 701 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [0,1,0,0,0,0|2,0,1]=4 702 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [0,1,0,0,0,0|2,0,1]=4 703 B8R0.6 CCN(C)CCCSC 62a_200000210301_100015186262 [0,1,0,0,0,0|1,0,2]=4 704 B8R0.6 CCN(C)CCCS[13CH3] 62a_200025704644_100015186262 [0,1,0,0,0,0|1,0,2]=4 705 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [0,1,0,0,0,0|3,0,0]=4 706 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [0,1,0,0,0,0|3,0,0]=4 707 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [0,1,0,0,0,0|3,0,0]=4 708 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [0,1,0,0,0,0|3,0,0]=4 709 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [0,1,0,0,0,0|3,0,0]=4 710 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [0,1,0,0,0,0|3,0,0]=4 711 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [0,1,0,0,0,0|3,0,0]=4 712 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [0,1,0,0,0,0|3,0,0]=4 713 B8R0.6 CNC(C)CCCSC 270004a_106832991635_100011399439 [0,1,0,0,0,0|3,0,0]=4 714 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [0,1,0,0,0,0|3,0,0]=4 715 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [0,1,0,0,0,0|3,0,0]=4 716 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [0,1,0,0,0,0|3,0,0]=4 717 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [0,1,0,0,0,0|3,0,0]=4 718 B8R0.6 CSCCCC(=O)CF 1458a_100000173376_100015361967 [0,1,0,0,0,0|2,0,1]=4 719 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [0,1,0,0,0,0|1,1,1]=4 720 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [0,1,0,0,0,0|1,1,1]=4 721 B8R0.7 CC(=O)CCCN=[N+]=[N-] 1458a_100010262590_200000210301 [0,1,0,0,0,0|3,0,0]=4 722 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [0,1,0,0,0,0|1,1,1]=4 723 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [0,1,0,0,0,0|1,1,1]=4 724 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [0,1,0,0,0,0|1,1,1]=4 725 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [0,1,0,0,0,0|1,1,1]=4 726 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200025704644_200135323944 [0,1,0,0,0,0|1,0,1]=3 727 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200135323944_200025704644 [0,1,0,0,0,0|1,0,1]=3 728 B8R0.7 CC(C)CCCCS[13CH3] 62a_100011216152_200025704644 [0,1,0,0,0,0|2,0,1]=4 729 B8R0.7 CC(C)CCCCS[13CH3] 62a_200025704644_100011216152 [0,1,0,0,0,0|2,0,1]=4 730 B8R0.7 CN(C)CCCCS[13CH3] 62a_200025704644_100000690147 [0,1,0,0,0,0|3,0,0]=4 731 B8R0.7 CNCCCOC(=S)C 2230a_106832991635_200135323944 [0,1,0,0,0,0|2,0,1]=4 732 B8R0.7 CNCCCOC(=S)C 34a_100102657272_200135323944 [0,1,0,0,0,0|2,0,1]=4 733 B8R0.7 CNCCCOC(=S)C 7a_106832991635_200135323944 [0,1,0,0,0,0|2,0,1]=4 734 B8R0.7 COCCCOC(=S)C 34a_100138415774_200135323944 [0,1,0,0,0,0|1,1,1]=4 735 B8R0.7 CSCCCCB(O)O 62a_200000210301_200009817182 [0,1,0,0,0,0|2,1,0]=4 736 B8R0.7 CSCCCCB(O)O 62a_200009817182_200000210301 [0,1,0,0,0,0|2,1,0]=4 737 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [0,1,0,0,0,0|1,1,1]=4 738 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [0,1,0,0,0,0|1,1,1]=4 739 B8R0.7 CSCCCCC(C)C 62a_100011216152_200000210301 [0,1,0,0,0,0|2,0,1]=4 740 B8R0.7 CSCCCCC(C)C 62a_200000210301_100011216152 [0,1,0,0,0,0|2,0,1]=4 741 B8R0.7 CSCCCCN(C)C 62a_200000210301_100000690147 [0,1,0,0,0,0|3,0,0]=4 742 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [0,1,0,0,0,0|0,1,2]=4 743 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [0,1,0,0,0,0|0,1,2]=4 744 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [0,1,0,0,0,0|0,1,2]=4 745 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [0,1,0,0,0,0|0,1,2]=4 746 B8R0.7 CSCCCNC(C)C 2230a_100000749238_100000210206 [0,1,0,0,0,0|1,0,2]=4 747 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [0,1,0,0,0,0|1,1,1]=4 748 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [0,1,0,0,0,0|1,1,1]=4 749 B8R0.7 CSCCCOC(=S)C 62a_200000210301_200135323944 [0,1,0,0,0,0|1,0,1]=3 750 B8R0.7 CSCCCOC(=S)C 62a_200135323944_200000210301 [0,1,0,0,0,0|1,0,1]=3 751 B8R0.7 CSCCCOC(C)C 34a_100000690336_100000210206 [0,1,0,0,0,0|2,0,1]=4 752 B8R0.7 CSCCCOC(C)C 7a_100000690336_100000210206 [0,1,0,0,0,0|2,0,1]=4 753 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [0,1,0,0,0,0|1,1,1]=4 754 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [0,1,0,0,0,0|1,1,1]=4 755 B8R0.7 [13CH3]C(=O)CCCN=[N+]=[N-] 1458a_100010262590_200025704644 [0,1,0,0,0,0|3,0,0]=4 756 B8R0.7 [13CH3]SCCCCB(O)O 62a_200009817182_200025704644 [0,1,0,0,0,0|2,1,0]=4 757 B8R0.7 [13CH3]SCCCCB(O)O 62a_200025704644_200009817182 [0,1,0,0,0,0|2,1,0]=4 758 B8R1.2 CNC1CCCSC1 270004a_106832991635_100000057913 [0,0,0,1,0,0|3,0,0]=4 759 B8R1.2 COC1CCCSC1 7a_100015962668_200000210301 [0,0,0,1,0,0|3,0,0]=4 760 B8R1.2 CSC1C=CCCC1 62a_100000751183_200000210301 [0,0,0,1,0,0|2,0,1]=4 761 B8R1.2 CSC1C=CCCC1 62a_200000210301_100000751183 [0,0,0,1,0,0|2,0,1]=4 762 B8R1.2 CSC1CCCCC1 62a_100000210327_200000210301 [0,0,0,1,0,0|2,0,1]=4 763 B8R1.2 CSC1CCCCC1 62a_200000210301_100000210327 [0,0,0,1,0,0|2,0,1]=4 764 B8R1.2 CSC1CCCOC1 62a_200000210301_100000693364 [0,0,0,1,0,0|3,0,0]=4 765 B8R1.2 CSC1CCOCC1 62a_200000210301_100011324220 [0,0,0,1,0,0|2,0,1]=4 766 B8R1.2 CSC1CCSCC1 62a_200000210301_100000069128 [0,0,0,1,0,0|2,0,1]=4 767 B8R1.2 [13CH3]OC1CCCSC1 7a_100015962668_200025704644 [0,0,0,1,0,0|3,0,0]=4 768 B8R1.2 [13CH3]SC1C=CCCC1 62a_100000751183_200025704644 [0,0,0,1,0,0|2,0,1]=4 769 B8R1.2 [13CH3]SC1C=CCCC1 62a_200025704644_100000751183 [0,0,0,1,0,0|2,0,1]=4 770 B8R1.2 [13CH3]SC1CCCCC1 62a_100000210327_200025704644 [0,0,0,1,0,0|2,0,1]=4 771 B8R1.2 [13CH3]SC1CCCCC1 62a_200025704644_100000210327 [0,0,0,1,0,0|2,0,1]=4 772 B8R1.2 [13CH3]SC1CCCOC1 62a_200025704644_100000693364 [0,0,0,1,0,0|3,0,0]=4 773 B8R1.2 [13CH3]SC1CCOCC1 62a_200025704644_100011324220 [0,0,0,1,0,0|2,0,1]=4 774 B8R1.2 [13CH3]SC1CCSCC1 62a_200025704644_100000069128 [0,0,0,1,0,0|2,0,1]=4 775 B8R1.8 CCNC1CCSC1 270004a_100015525214_100000212027 [0,0,0,1,0,0|1,0,2]=4 776 B8R1.8 CCOC1CCSC1 7a_100011232664_100000210202 [0,0,0,1,0,0|2,0,1]=4 777 B8R1.8 CSCC1CCCC1 62a_100000740388_200000210301 [0,0,0,1,0,0|2,0,1]=4 778 B8R1.8 CSCC1CCCC1 62a_200000210301_100000740388 [0,0,0,1,0,0|2,0,1]=4 779 B8R1.8 CSCC1CCCO1 62a_100000203698_200000210301 [0,0,0,1,0,0|1,1,1]=4 780 B8R1.8 CSCC1CCCO1 62a_200000210301_100000203698 [0,0,0,1,0,0|1,1,1]=4 781 B8R1.8 CSCC1CCOC1 62a_100000702531_200000210301 [0,0,0,1,0,0|2,0,1]=4 782 B8R1.8 CSCC1CCOC1 62a_200000210301_100000702531 [0,0,0,1,0,0|2,0,1]=4 783 B8R1.8 FCOC1CCSC1 7a_100011232664_100015361967 [0,0,0,1,0,0|2,0,1]=4 784 B8R1.8 [13CH3]SCC1CCCC1 62a_100000740388_200025704644 [0,0,0,1,0,0|2,0,1]=4 785 B8R1.8 [13CH3]SCC1CCCC1 62a_200025704644_100000740388 [0,0,0,1,0,0|2,0,1]=4 786 B8R1.8 [13CH3]SCC1CCCO1 62a_100000203698_200025704644 [0,0,0,1,0,0|1,1,1]=4 787 B8R1.8 [13CH3]SCC1CCCO1 62a_200025704644_100000203698 [0,0,0,1,0,0|1,1,1]=4 788 B8R1.8 [13CH3]SCC1CCOC1 62a_100000702531_200025704644 [0,0,0,1,0,0|2,0,1]=4 789 B8R1.8 [13CH3]SCC1CCOC1 62a_200025704644_100000702531 [0,0,0,1,0,0|2,0,1]=4 790 B8R1.11 CSC1CCCC1=O 62a_100000211823_200000210301 [0,0,0,1,0,0|1,1,1]=4 791 B8R1.11 CSC1CCCC1=O 62a_200000210301_100000211823 [0,0,0,1,0,0|1,1,1]=4 792 B8R1.11 CSC1CCOC1=O 62a_100000211211_200000210301 [0,0,0,1,0,0|1,1,1]=4 793 B8R1.11 CSC1CCOC1=O 62a_200000210301_100000211211 [0,0,0,1,0,0|1,1,1]=4 794 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200000210301_200016002552 [0,0,0,1,0,0|1,1,1]=4 795 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200016002552_200000210301 [0,0,0,1,0,0|1,1,1]=4 796 B8R1.11 [13CH3]SC1CCCC1=O 62a_100000211823_200025704644 [0,0,0,1,0,0|1,1,1]=4 797 B8R1.11 [13CH3]SC1CCCC1=O 62a_200025704644_100000211823 [0,0,0,1,0,0|1,1,1]=4 798 B8R1.11 [13CH3]SC1CCOC1=O 62a_100000211211_200025704644 [0,0,0,1,0,0|1,1,1]=4 799 B8R1.11 [13CH3]SC1CCOC1=O 62a_200025704644_100000211211 [0,0,0,1,0,0|1,1,1]=4 800 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200016002552_200025704644 [0,0,0,1,0,0|1,1,1]=4 801 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200025704644_200016002552 [0,0,0,1,0,0|1,1,1]=4 802 B8R1.36 CSCCCC1CO1 62a_100000733510_200000210301 [0,0,0,1,0,0|1,1,1]=4 803 B8R1.36 CSCCCC1CO1 62a_200000210301_100000733510 [0,0,0,1,0,0|1,1,1]=4 804 B8R1.36 [13CH3]SCCCC1CO1 62a_100000733510_200025704644 [0,0,0,1,0,0|1,1,1]=4 805 B8R1.36 [13CH3]SCCCC1CO1 62a_200025704644_100000733510 [0,0,0,1,0,0|1,1,1]=4 806 B5R0.2 C#CCCSC 62a_100000688953_200000210301 [2,0,0,0,0,0|0,0,2]=4 807 B5R0.2 C#CCCSC 62a_200000210301_100000688953 [2,0,0,0,0,0|0,0,2]=4 808 B5R0.2 C#CCCS[13CH3] 62a_100000688953_200025704644 [2,0,0,0,0,0|0,0,2]=4 809 B5R0.2 C#CCCS[13CH3] 62a_200025704644_100000688953 [2,0,0,0,0,0|0,0,2]=4 810 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [2,0,0,0,0,0|0,0,2]=4 811 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [2,0,0,0,0,0|0,0,2]=4 812 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [2,0,0,0,0,0|0,0,2]=4 813 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [2,0,0,0,0,0|0,0,2]=4 814 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [2,0,0,0,0,0|0,0,2]=4 815 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [2,0,0,0,0,0|0,0,2]=4 816 B5R0.2 CCCCNC 34a_100102657272_100000210210 [2,0,0,0,0,0|0,0,2]=4 817 B5R0.2 CCCCNC 7a_106832991635_100000210211 [2,0,0,0,0,0|0,0,2]=4 818 B5R0.2 CCCCNC 7a_106832991798_200000210301 [2,0,0,0,0,0|0,0,2]=4 819 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [2,0,0,0,0,0|0,0,2]=4 820 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [2,0,0,0,0,0|0,0,2]=4 821 B5R0.2 CCCCOC 34a_100000210227_200000210301 [2,0,0,0,0,0|0,1,1]=4 822 B5R0.2 CCCCOC 34a_100138415774_100000210210 [2,0,0,0,0,0|0,1,1]=4 823 B5R0.2 CCCCOC 7a_100000210227_200000210301 [2,0,0,0,0,0|0,1,1]=4 824 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [2,0,0,0,0,0|0,1,1]=4 825 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [2,0,0,0,0,0|0,1,1]=4 826 B5R0.2 CCCCSC 62a_100000210211_200000210301 [2,0,0,0,0,0|0,0,1]=3 827 B5R0.2 CCCCSC 62a_200000210301_100000210210 [2,0,0,0,0,0|0,0,1]=3 828 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [2,0,0,0,0,0|0,0,1]=3 829 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [2,0,0,0,0,0|0,0,1]=3 830 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [2,0,0,0,0,0|1,0,1]=4 831 B5R0.2 CCOCSC 34a_100121572206_100011218213 [2,0,0,0,0,0|1,0,1]=4 832 B5R0.2 CCOCSC 62a_100000739092_200000210301 [2,0,0,0,0,0|1,0,1]=4 833 B5R0.2 CCOCSC 62a_200000210301_100000739092 [2,0,0,0,0,0|1,0,1]=4 834 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [2,0,0,0,0,0|1,0,1]=4 835 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [2,0,0,0,0,0|1,0,1]=4 836 B5R0.2 CCSCSC 62a_100000210202_100011218213 [2,0,0,0,0,0|1,0,1]=4 837 B5R0.2 CCSCSC 62a_100011218213_100000210202 [2,0,0,0,0,0|1,0,1]=4 838 B5R0.2 CNCCCF 2230a_100015189416_200000210301 [2,0,0,0,0,0|2,0,0]=4 839 B5R0.2 CNCCCF 2230a_106832991635_100011934791 [2,0,0,0,0,0|2,0,0]=4 840 B5R0.2 CNCCCF 34a_100015189416_200000210301 [2,0,0,0,0,0|2,0,0]=4 841 B5R0.2 CNCCCF 34a_100102657272_100011934791 [2,0,0,0,0,0|2,0,0]=4 842 B5R0.2 CNCCCF 7a_106832991635_100011934791 [2,0,0,0,0,0|2,0,0]=4 843 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [2,0,0,0,0,0|1,1,0]=4 844 B5R0.2 CNCCCO 34a_100102657272_100000230001 [2,0,0,0,0,0|1,1,0]=4 845 B5R0.2 CNCCCO 7a_106832991635_100011215043 [2,0,0,0,0,0|1,1,0]=4 846 B5R0.2 CNCCSC 2230a_100020590264_200000210301 [2,0,0,0,0,0|0,0,2]=4 847 B5R0.2 CNCCSC 2230a_106832991635_100000751147 [2,0,0,0,0,0|0,0,2]=4 848 B5R0.2 CNCCSC 34a_100102657272_100000212216 [2,0,0,0,0,0|0,0,2]=4 849 B5R0.2 CNCCSC 7a_106832991635_100000212216 [2,0,0,0,0,0|0,0,2]=4 850 B5R0.2 COCCCBr 34a_100011217188_200000210301 [2,0,0,0,0,0|1,1,0]=4 851 B5R0.2 COCCCCl 34a_100000230001_200000210301 [2,0,0,0,0,0|1,1,0]=4 852 B5R0.2 COCCCF 34a_100000759539_200000210301 [2,0,0,0,0,0|1,1,0]=4 853 B5R0.2 COCCCF 34a_100138415774_100011934791 [2,0,0,0,0,0|1,1,0]=4 854 B5R0.2 COCCCN 34a_100000182051_200000210301 [2,0,0,0,0,0|0,1,1]=4 855 B5R0.2 COCCCO 34a_100138415774_100000230001 [2,0,0,0,0,0|0,2,0]=4 856 B5R0.2 COCCSC 34a_100000230434_200000210301 [2,0,0,0,0,0|1,0,1]=4 857 B5R0.2 COCCSC 34a_100138415774_100000212216 [2,0,0,0,0,0|1,0,1]=4 858 B5R0.2 COCCSC 62a_100000233755_200000210301 [2,0,0,0,0,0|1,0,1]=4 859 B5R0.2 COCCSC 62a_200000210301_100000233755 [2,0,0,0,0,0|1,0,1]=4 860 B5R0.2 COCCSC 7a_100000230434_200000210301 [2,0,0,0,0,0|1,0,1]=4 861 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [2,0,0,0,0,0|1,0,1]=4 862 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [2,0,0,0,0,0|1,0,1]=4 863 B5R0.2 CSCCC#N 62a_100011215226_200000210301 [2,0,0,0,0,0|0,0,2]=4 864 B5R0.2 CSCCC#N 62a_200000210301_100011215226 [2,0,0,0,0,0|0,0,2]=4 865 B5R0.2 CSCCCF 62a_100011934791_200000210301 [2,0,0,0,0,0|1,0,0]=3 866 B5R0.2 CSCCCF 62a_200000210301_100011934791 [2,0,0,0,0,0|1,0,0]=3 867 B5R0.2 CSCCCO 62a_100011215043_200000210301 [2,0,0,0,0,0|0,1,0]=3 868 B5R0.2 CSCCCO 62a_200000210301_100011215043 [2,0,0,0,0,0|0,1,0]=3 869 B5R0.2 CSCCN[13CH3] 2230a_100020590264_200025704644 [2,0,0,0,0,0|0,0,2]=4 870 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [2,0,0,0,0,0|1,0,1]=4 871 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [2,0,0,0,0,0|1,0,1]=4 872 B5R0.2 CSCCSC 62a_100000212216_200000210301 [2,0,0,0,0,0|1,0,1]=4 873 B5R0.2 CSCCSC 62a_200000210301_100000751147 [2,0,0,0,0,0|1,0,1]=4 874 B5R0.2 CSCCS[13CH3] 62a_100000212216_200025704644 [2,0,0,0,0,0|1,0,1]=4 875 B5R0.2 CSCCS[13CH3] 62a_200025704644_100000751147 [2,0,0,0,0,0|1,0,1]=4 876 B5R0.2 CSCSCF 62a_100011218213_100015361967 [2,0,0,0,0,0|2,0,0]=4 877 B5R0.2 CSCSCF 62a_100015361967_100011218213 [2,0,0,0,0,0|2,0,0]=4 878 B5R0.2 [13CH3]NCCCF 2230a_100015189416_200025704644 [2,0,0,0,0,0|2,0,0]=4 879 B5R0.2 [13CH3]NCCCF 34a_100015189416_200025704644 [2,0,0,0,0,0|2,0,0]=4 880 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [2,0,0,0,0,0|1,1,0]=4 881 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [2,0,0,0,0,0|1,1,0]=4 882 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [2,0,0,0,0,0|1,1,0]=4 883 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [2,0,0,0,0,0|0,1,1]=4 884 B5R0.2 [13CH3]SCCC#N 62a_100011215226_200025704644 [2,0,0,0,0,0|0,0,2]=4 885 B5R0.2 [13CH3]SCCC#N 62a_200025704644_100011215226 [2,0,0,0,0,0|0,0,2]=4 886 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [2,0,0,0,0,0|1,0,0]=3 887 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [2,0,0,0,0,0|1,0,0]=3 888 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [2,0,0,0,0,0|0,1,0]=3 889 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [2,0,0,0,0,0|0,1,0]=3 890 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [1,1,0,0,0,0|1,0,1]=4 891 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [1,1,0,0,0,0|1,0,1]=4 892 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [1,1,0,0,0,0|1,0,1]=4 893 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [1,1,0,0,0,0|1,0,1]=4 894 B7R0.3 CNC(C)CCSC 270004a_106832991635_100011217047 [1,1,0,0,0,0|0,0,2]=4 895 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [1,1,0,0,0,0|0,1,1]=4 896 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [1,1,0,0,0,0|0,1,1]=4 897 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [1,1,0,0,0,0|1,0,1]=4 898 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [1,1,0,0,0,0|1,0,1]=4 899 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [1,1,0,0,0,0|0,1,1]=4 900 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [1,1,0,0,0,0|0,1,1]=4 901 B7R0.4 CN(C)CCCS[13CH3] 62a_200025704644_100000757444 [1,1,0,0,0,0|0,0,2]=4 902 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [1,1,0,0,0,0|0,1,1]=4 903 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [1,1,0,0,0,0|0,1,1]=4 904 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [1,1,0,0,0,0|0,1,1]=4 905 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [1,1,0,0,0,0|0,1,1]=4 906 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [1,1,0,0,0,0|0,1,1]=4 907 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [1,1,0,0,0,0|0,1,1]=4 908 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [1,1,0,0,0,0|1,0,1]=4 909 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [1,1,0,0,0,0|1,0,1]=4 910 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [1,1,0,0,0,0|0,1,1]=4 911 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [1,1,0,0,0,0|0,1,1]=4 912 B7R0.4 CSCCCN(C)C 62a_200000210301_100000757444 [1,1,0,0,0,0|0,0,2]=4 913 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [1,1,0,0,0,0|0,1,1]=4 914 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [1,1,0,0,0,0|0,1,1]=4 915 B7R0.7 CCCC(C)CSC 62a_100011216630_200000210301 [1,1,0,0,0,0|1,0,1]=4 916 B7R0.7 CCCC(C)CSC 62a_200000210301_100011216630 [1,1,0,0,0,0|1,0,1]=4 917 B7R0.7 CCCC(C)CS[13CH3] 62a_100011216630_200025704644 [1,1,0,0,0,0|1,0,1]=4 918 B7R0.7 CCCC(C)CS[13CH3] 62a_200025704644_100011216630 [1,1,0,0,0,0|1,0,1]=4 919 B7R0.7 COCC(O)CSC 62a_100011215053_200000210301 [1,1,0,0,0,0|1,0,1]=4 920 B7R0.7 COCC(O)CSC 62a_200000210301_100011215053 [1,1,0,0,0,0|1,0,1]=4 921 B7R0.7 COCC(O)CS[13CH3] 62a_100011215053_200025704644 [1,1,0,0,0,0|1,0,1]=4 922 B7R0.7 COCC(O)CS[13CH3] 62a_200025704644_100011215053 [1,1,0,0,0,0|1,0,1]=4 923 B7R0.7 CSC[C@@H](O)CC#N 62a_100000001066_200000210301 [1,1,0,0,0,0|1,0,1]=4 924 B7R0.7 CSC[C@@H](O)CC#N 62a_200000210301_100000001066 [1,1,0,0,0,0|1,0,1]=4 925 B7R0.7 [13CH3]SC[C@@H](O)CC#N 62a_100000001066_200025704644 [1,1,0,0,0,0|1,0,1]=4 926 B7R0.7 [13CH3]SC[C@@H](O)CC#N 62a_200025704644_100000001066 [1,1,0,0,0,0|1,0,1]=4 927 B9R0.5 CC=NNCC(O)CSC 4a_200000122717_200000210099 [0,2,0,0,0,0|1,0,1]=4 928 B9R0.2 CC(=S)OCCCSCF 62a_100015361967_200135323944 [0,2,0,0,0,0|1,0,1]=4 929 B9R0.2 CC(=S)OCCCSCF 62a_200135323944_100015361967 [0,2,0,0,0,0|1,0,1]=4 930 B9R0.2 CCSCCCOC(=S)C 62a_100000210202_200135323944 [0,2,0,0,0,0|1,0,1]=4 931 B9R0.2 CCSCCCOC(=S)C 62a_200135323944_100000210202 [0,2,0,0,0,0|1,0,1]=4 932 B9R0.45 CC=C=CCCOCSC 34a_100011020354_100011218213 [0,2,0,0,0,0|2,0,0]=4 933 B9R0.45 CSCNCCCN=[N+]=[N-] 2230a_100000744732_100011218213 [0,2,0,0,0,0|2,0,0]=4 934 B7R1.1 CNC1CCSC1 270004a_106832991635_100000212027 [1,0,0,1,0,0|0,0,2]=4 935 B7R1.1 COC1CCSC1 7a_100011232664_200000210301 [1,0,0,1,0,0|1,0,1]=4 936 B7R1.1 CSC1CCCC1 62a_100011217020_200000210301 [1,0,0,1,0,0|1,0,1]=4 937 B7R1.1 CSC1CCCC1 62a_200000210301_100000179811 [1,0,0,1,0,0|1,0,1]=4 938 B7R1.1 CSC1CCOC1 62a_200000210301_100000690089 [1,0,0,1,0,0|1,0,1]=4 939 B7R1.1 [13CH3]OC1CCSC1 7a_100011232664_200025704644 [1,0,0,1,0,0|1,0,1]=4 940 B7R1.1 [13CH3]SC1CCCC1 62a_100011217020_200025704644 [1,0,0,1,0,0|1,0,1]=4 941 B7R1.1 [13CH3]SC1CCCC1 62a_200025704644_100000179811 [1,0,0,1,0,0|1,0,1]=4 942 B7R1.1 [13CH3]SC1CCOC1 62a_200025704644_100000690089 [1,0,0,1,0,0|1,0,1]=4 943 B7R1.6 CSCC1CCC1 62a_100000763275_200000210301 [1,0,0,1,0,0|1,0,1]=4 944 B7R1.6 CSCC1CCC1 62a_200000210301_100000763275 [1,0,0,1,0,0|1,0,1]=4 945 B7R1.6 CSCC1CCO1 62a_100000103362_200000210301 [1,0,0,1,0,0|0,1,1]=4 946 B7R1.6 CSCC1CCO1 62a_200000210301_100000103362 [1,0,0,1,0,0|0,1,1]=4 947 B7R1.6 CSCC1COC1 62a_100010264016_200000210301 [1,0,0,1,0,0|1,0,1]=4 948 B7R1.6 CSCC1COC1 62a_200000210301_100010264016 [1,0,0,1,0,0|1,0,1]=4 949 B7R1.6 [13CH3]SCC1CCC1 62a_100000763275_200025704644 [1,0,0,1,0,0|1,0,1]=4 950 B7R1.6 [13CH3]SCC1CCC1 62a_200025704644_100000763275 [1,0,0,1,0,0|1,0,1]=4 951 B7R1.6 [13CH3]SCC1CCO1 62a_100000103362_200025704644 [1,0,0,1,0,0|0,1,1]=4 952 B7R1.6 [13CH3]SCC1CCO1 62a_200025704644_100000103362 [1,0,0,1,0,0|0,1,1]=4 953 B7R1.6 [13CH3]SCC1COC1 62a_100010264016_200025704644 [1,0,0,1,0,0|1,0,1]=4 954 B7R1.6 [13CH3]SCC1COC1 62a_200025704644_100010264016 [1,0,0,1,0,0|1,0,1]=4 955 B7R1.7 CSCCC1CC1 62a_100000764125_200000210301 [1,0,0,1,0,0|1,0,1]=4 956 B7R1.7 CSCCC1CC1 62a_200000210301_100000764125 [1,0,0,1,0,0|1,0,1]=4 957 B7R1.7 CSCCC1CO1 62a_100000732470_200000210301 [1,0,0,1,0,0|0,1,1]=4 958 B7R1.7 CSCCC1CO1 62a_200000210301_100000732470 [1,0,0,1,0,0|0,1,1]=4 959 B7R1.7 [13CH3]SCCC1CC1 62a_100000764125_200025704644 [1,0,0,1,0,0|1,0,1]=4 960 B7R1.7 [13CH3]SCCC1CC1 62a_200025704644_100000764125 [1,0,0,1,0,0|1,0,1]=4 961 B7R1.7 [13CH3]SCCC1CO1 62a_100000732470_200025704644 [1,0,0,1,0,0|0,1,1]=4 962 B7R1.7 [13CH3]SCCC1CO1 62a_200025704644_100000732470 [1,0,0,1,0,0|0,1,1]=4 963 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [1,0,0,1,0,0|0,1,1]=4 964 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [1,0,0,1,0,0|0,1,1]=4 965 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [1,0,0,1,0,0|0,1,1]=4 966 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [1,0,0,1,0,0|0,1,1]=4 967 B9R1.12 CC=NNC1CCSC1 4a_200000731317_200000210099 [0,1,0,1,0,0|1,0,1]=4