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B16R0.303 CCCCCCCCCCC=NNCCCC 4a_100025702795_100011218819 [0,0,0,0,0,0|3,0,1]=4 47 B16R0.303 CCCCCCCCCCCC=NNCCC 4a_100000740057_100011218549 [0,0,0,0,0,0|3,0,1]=4 48 B16R0.303 CCCCCCNCCCCCCCCCO 2230a_100000078944_100000210314 [0,0,0,0,0,0|1,0,3]=4 49 B16R0.303 CCCCCCNCCCCCCCCCO 2230a_100000210581_100009813782 [0,0,0,0,0,0|1,0,3]=4 50 B16R0.303 CCCCCCNCCCCCCCCCO 34a_100000078944_100000210314 [0,0,0,0,0,0|1,0,3]=4 51 B16R0.303 CCCCCCOCCCCCCCCCO 34a_100000210259_100009813782 [0,0,0,0,0,0|1,0,3]=4 52 B16R0.303 CCCCCCOCCCCCCCCCO 7a_100000210259_100009813782 [0,0,0,0,0,0|1,0,3]=4 53 B16R0.303 CCCCCNCCCCCCCCCCO 2230a_100000066964_100000210326 [0,0,0,0,0,0|1,0,3]=4 54 B16R0.303 CCCCCNCCCCCCCCCCO 2230a_100000209983_100009813290 [0,0,0,0,0,0|1,0,3]=4 55 B16R0.303 CCCCCNCCCCCCCCCCO 34a_100000066964_100000718602 [0,0,0,0,0,0|1,0,3]=4 56 B16R0.303 CCCCCOCCCCCCCCCCO 34a_100000210253_100009813290 [0,0,0,0,0,0|1,0,3]=4 57 B16R0.303 CCCCCOCCCCCCCCCCO 7a_100000210253_100009813290 [0,0,0,0,0,0|1,0,3]=4 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[0,0,0,0,0,0|2,0,2]=4 70 B16R0.303 CCCOCCNCCCCCCCCCO 2230a_100161115042_100009813782 [0,0,0,0,0,0|2,0,2]=4 71 B16R0.303 CCCOCCNCCCCCCCCCO 34a_100000078944_100011215938 [0,0,0,0,0,0|2,0,2]=4 72 B16R0.303 CCCOCCNCCCCCCCCCO 34a_100161115042_100009813782 [0,0,0,0,0,0|2,0,2]=4 73 B16R0.303 CCCOCCOCCCCCCCCCO 34a_100000752267_100009813782 [0,0,0,0,0,0|2,0,2]=4 74 B16R0.303 CCCOCCOCCCCCCCCCO 7a_100000752267_100009813782 [0,0,0,0,0,0|2,0,2]=4 75 B16R0.303 CCCOCCSCCCCCCCCCO 62a_100009813782_100011215938 [0,0,0,0,0,0|2,0,2]=4 76 B16R0.303 CCCOCCSCCCCCCCCCO 62a_100011215938_100009813782 [0,0,0,0,0,0|2,0,2]=4 77 B16R0.303 CCCSCCNCCCCCCCCCO 2230a_100020603323_100009813782 [0,0,0,0,0,0|2,0,2]=4 78 B16R0.303 CCCSCCOCCCCCCCCCO 34a_200000230433_100009813782 [0,0,0,0,0,0|2,0,2]=4 79 B16R0.303 CCCSCCOCCCCCCCCCO 7a_200000230433_100009813782 [0,0,0,0,0,0|2,0,2]=4 80 B15R0.70 C#CCCCCCOC/C=C/C=C/CCC 34a_100016294078_100012094781 [1,0,0,0,0,0|1,0,2]=4 81 B15R0.70 C/C=C/C=C/CCCCCCCOCCO 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[1,0,0,0,0,0|2,0,1]=4 105 B15R0.70 CC/C=C\CNCCCCCCCCCO 2230a_100000078944_100103147603 [1,0,0,0,0,0|1,0,1]=3 106 B15R0.70 CC/C=C\CNCCCCCCCCCO 34a_100000078944_100103147603 [1,0,0,0,0,0|1,0,1]=3 107 B15R0.70 CC/C=C\COCCCCCCCCCCl 34a_100009868337_100103147603 [1,0,0,0,0,0|2,0,1]=4 108 B15R0.70 CC/C=C\COCCCCCCCCCCl 7a_100009868337_100103147603 [1,0,0,0,0,0|2,0,1]=4 109 B15R0.70 CC/C=C\COCCCCCCCCCN 34a_100000078944_100103147603 [1,0,0,0,0,0|2,0,1]=4 110 B15R0.70 CC/C=C\COCCCCCCCCCO 34a_100016268518_100009813782 [1,0,0,0,0,0|1,0,1]=3 111 B15R0.70 CC/C=C\CSCCCCCCCCCO 62a_100009813782_100103147603 [1,0,0,0,0,0|1,0,1]=3 112 B15R0.70 CC/C=C\CSCCCCCCCCCO 62a_100103147603_100009813782 [1,0,0,0,0,0|1,0,1]=3 113 B15R0.70 CCC/C=C/C=C/COCCCCCCC 34a_100016294078_100000210614 [1,0,0,0,0,0|1,0,0]=2 114 B15R0.70 CCC/C=C/C=C/COCCCCCCF 34a_100016294078_100015922095 [1,0,0,0,0,0|2,0,0]=3 115 B15R0.70 CCC/C=C/C=C/COCCCCCCO 34a_100016294078_100000766143 [1,0,0,0,0,0|1,0,0]=2 116 B15R0.70 CCC/C=C/C=C/COCCOCCCC 34a_100016294078_100000743108 [1,0,0,0,0,0|2,0,0]=3 117 B15R0.70 CCC/C=C/C=C/COCCOCCOC 34a_100016294078_100000695917 [1,0,0,0,0,0|3,0,0]=4 118 B15R0.70 CCC/C=C/COCCCCCCCCO 34a_100016278788_100000033203 [1,0,0,0,0,0|1,0,1]=3 119 B15R0.70 CCC/C=C/COCCCCCCCCO 7a_100016278788_100000033203 [1,0,0,0,0,0|1,0,1]=3 120 B15R0.70 CCCC/C=C/CCCCOCCCCF 34a_200020645093_100000729493 [1,0,0,0,0,0|2,0,1]=4 121 B15R0.70 CCCC/C=C/CCCCOCCCCF 7a_200020645093_100000729493 [1,0,0,0,0,0|2,0,1]=4 122 B15R0.70 CCCC/C=C/CCCCOCCCCO 34a_200020645093_100011216708 [1,0,0,0,0,0|1,0,1]=3 123 B15R0.70 CCCC/C=C/CCCCOCCCCO 7a_200020645093_100000210776 [1,0,0,0,0,0|1,0,1]=3 124 B15R0.70 CCCC/C=C/COCCCCCCCO 34a_200016272032_100000760002 [1,0,0,0,0,0|1,0,1]=3 125 B15R0.70 CCCC/C=C/COCCCCCCCO 7a_200016272032_100000760002 [1,0,0,0,0,0|1,0,1]=3 126 B15R0.70 CCCC/C=C\CCOCCCCCCF 34a_200016286491_100015922095 [1,0,0,0,0,0|2,0,1]=4 127 B15R0.70 CCCC/C=C\CCOCCCCCCF 7a_200016286491_100015922095 [1,0,0,0,0,0|2,0,1]=4 128 B15R0.70 CCCC/C=C\CCOCCCCCCO 34a_200016286491_100000766143 [1,0,0,0,0,0|1,0,1]=3 129 B15R0.70 CCCC/C=C\CCOCCCCCCO 7a_200016286491_100000766143 [1,0,0,0,0,0|1,0,1]=3 130 B15R0.70 CCCCC/C=C/COCCCCCCO 34a_100016258190_100000766143 [1,0,0,0,0,0|1,0,2]=4 131 B15R0.70 CCCCC/C=C/COCCCCCCO 7a_100016258190_100000766143 [1,0,0,0,0,0|1,0,2]=4 132 B15R0.70 CCCCC/C=C\CCCOCCCCO 34a_100020655193_100011216708 [1,0,0,0,0,0|1,0,2]=4 133 B15R0.70 CCCCC/C=C\CCCOCCCCO 7a_100020655193_100000210776 [1,0,0,0,0,0|1,0,2]=4 134 B15R0.70 CCCCC/C=C\CCOCCCCCO 34a_100016277358_100000746330 [1,0,0,0,0,0|1,0,2]=4 135 B15R0.70 CCCCC/C=C\CCOCCCCCO 7a_100016277358_100000746330 [1,0,0,0,0,0|1,0,2]=4 136 B15R0.70 CCCCCCCCC/C=C/COCCF 34a_100015232335_100011217306 [1,0,0,0,0,0|2,0,1]=4 137 B15R0.70 CCCCCCCCC/C=C/COCCF 7a_100015232335_100011217306 [1,0,0,0,0,0|2,0,1]=4 138 B15R0.70 CCCCCCCCC/C=C/COCCO 34a_100015232335_100000211926 [1,0,0,0,0,0|2,0,1]=4 139 B15R0.70 CCCCCCCCC/C=C/COCCO 7a_100015232335_100000211926 [1,0,0,0,0,0|2,0,1]=4 140 B15R0.70 CCCCCCCCC=CC=NNCCC 4a_100000740057_200015245481 [1,0,0,0,0,0|2,0,1]=4 141 B15R0.70 CCCCCCCCCC=CC=NNCC 4a_100000756455_100016997280 [1,0,0,0,0,0|2,0,0]=3 142 B15R0.70 CCCCCCCCCC=NNCCCC 4a_100025702795_100000210895 [1,0,0,0,0,0|2,0,1]=4 143 B15R0.70 CCCCCCCCCCC=NNCCC 4a_100000740057_100011218819 [1,0,0,0,0,0|2,0,1]=4 144 B15R0.70 CCCCCNCCCCCCCCCO 2230a_100000078944_100000210326 [1,0,0,0,0,0|1,0,2]=4 145 B15R0.70 CCCCCNCCCCCCCCCO 2230a_100000209983_100009813782 [1,0,0,0,0,0|1,0,2]=4 146 B15R0.70 CCCCCNCCCCCCCCCO 34a_100000078944_100000718602 [1,0,0,0,0,0|1,0,2]=4 147 B15R0.70 CCCCCOCCCCCCCCCO 34a_100000210253_100009813782 [1,0,0,0,0,0|1,0,2]=4 148 B15R0.70 CCCCCOCCCCCCCCCO 7a_100000210253_100009813782 [1,0,0,0,0,0|1,0,2]=4 149 B15R0.70 CCCCCSCCCCCCCCCO 62a_100000210326_100009813782 [1,0,0,0,0,0|1,0,2]=4 150 B15R0.70 CCCCCSCCCCCCCCCO 62a_100009813782_100000210326 [1,0,0,0,0,0|1,0,2]=4 151 B15R0.70 CCCCNCCCCCCCCCCO 2230a_100000066964_100000210211 [1,0,0,0,0,0|1,0,2]=4 152 B15R0.70 CCCCNCCCCCCCCCCO 2230a_100000102301_100009813290 [1,0,0,0,0,0|1,0,2]=4 153 B15R0.70 CCCCNCCCCCCCCCCO 34a_100000066964_100000210210 [1,0,0,0,0,0|1,0,2]=4 154 B15R0.70 CCCCNCCCCCCCCCCO 7a_106832991798_100009813290 [1,0,0,0,0,0|1,0,2]=4 155 B15R0.70 CCCCOCCCCCCCCCCO 34a_100000210227_100009813290 [1,0,0,0,0,0|1,0,2]=4 156 B15R0.70 CCCCOCCCCCCCCCCO 7a_100000210227_100009813290 [1,0,0,0,0,0|1,0,2]=4 157 B15R0.70 CCCCSCCCCCCCCCCO 62a_100000210211_200000033068 [1,0,0,0,0,0|1,0,2]=4 158 B15R0.70 CCCCSCCCCCCCCCCO 62a_100009813290_100000210210 [1,0,0,0,0,0|1,0,2]=4 159 B15R0.70 CCCOCCCCCCCCCCCO 34a_100000210258_100009812471 [1,0,0,0,0,0|1,0,2]=4 160 B15R0.70 CCCSCCCCCCCCCCCO 62a_100009812471_100000210303 [1,0,0,0,0,0|1,0,2]=4 161 B17R0.43 CCC/C=C/C=C/COCCCCCCB(O)O 34a_100016294078_100009817187 [0,1,0,0,0,0|2,0,0]=3 162 B17R0.43 CCCCCCCCCC/C=C/COCC(C)O 34a_200025761149_100011218427 [0,1,0,0,0,0|2,0,1]=4 163 B17R0.43 CCCCCCCCCC/C=C/COCC(C)O 7a_200025761149_100011218427 [0,1,0,0,0,0|2,0,1]=4 164 B17R0.43 CCCCCCCCCC/C=C/COC[C@@H](C)O 34a_200025761149_100009817552 [0,1,0,0,0,0|2,0,1]=4 165 B17R0.43 CCCCCCCCCC/C=C/COC[C@@H](C)O 7a_200025761149_100009817552 [0,1,0,0,0,0|2,0,1]=4 166 B17R0.104 CCCCC/C=C/CC(=O)CCCCCCCO 1458a_100020675968_100000760002 [0,1,0,0,0,0|0,0,3]=4 167 B17R0.117 C#CCCCCCCCOC/C=C/C=C/CCC 34a_100016294078_100153394163 [0,1,0,0,0,0|1,0,1]=3 168 B17R0.117 CC/C=C/C/C=C/CCOCCCCCCCO 34a_200016273837_100000760002 [0,1,0,0,0,0|0,0,2]=3 169 B17R0.117 CC/C=C/C/C=C/CCOCCCCCCCO 7a_200016273837_100000760002 [0,1,0,0,0,0|0,0,2]=3 170 B17R0.117 CC/C=C/C/C=C/CCOCCCCCCOC 34a_200016273837_100011998445 [0,1,0,0,0,0|1,0,2]=4 171 B17R0.117 CC/C=C/C/C=C/CCOCCCCCCOC 7a_200016273837_100011998445 [0,1,0,0,0,0|1,0,2]=4 172 B17R0.117 CC/C=C/CC/C=C/COCCCCCCCO 34a_100016264143_100000760002 [0,1,0,0,0,0|1,0,2]=4 173 B17R0.117 CC/C=C/CC/C=C/COCCCCCCCO 7a_100016264143_100000760002 [0,1,0,0,0,0|1,0,2]=4 174 B17R0.117 CCC/C=C/C=C/COCCCC#CCCCC 34a_100016294078_200000047210 [0,1,0,0,0,0|1,0,2]=4 175 B17R0.117 CCC/C=C/C=C/COCCCCCCCCO 34a_100016294078_100000033203 [0,1,0,0,0,0|0,0,0]=1 176 B17R0.117 CCC/C=C/C=C/COCCOCCOCCO 34a_100016294078_100000032323 [0,1,0,0,0,0|2,0,0]=3 177 B17R0.117 CCC/C=C/COCCCCCCCCCCO 34a_100016278788_100009813290 [0,1,0,0,0,0|0,0,2]=3 178 B17R0.117 CCC/C=C/COCCCCCCCCCCO 7a_100016278788_100009813290 [0,1,0,0,0,0|0,0,2]=3 179 B17R0.117 CCCC/C=C/CCCCOCCCCCCO 34a_200020645093_100000766143 [0,1,0,0,0,0|0,0,2]=3 180 B17R0.117 CCCC/C=C/CCCCOCCCCCCO 7a_200020645093_100000766143 [0,1,0,0,0,0|0,0,2]=3 181 B17R0.117 CCCC/C=C/COCCCCCCCCCO 34a_200016272032_100009813782 [0,1,0,0,0,0|0,0,2]=3 182 B17R0.117 CCCC/C=C/COCCCCCCCCCO 7a_200016272032_100009813782 [0,1,0,0,0,0|0,0,2]=3 183 B17R0.117 CCCC/C=C\CCCCCCCCOCCO 34a_100020587526_100000211926 [0,1,0,0,0,0|0,0,2]=3 184 B17R0.117 CCCC/C=C\CCCCCCCCOCCO 7a_100020587526_100000211926 [0,1,0,0,0,0|0,0,2]=3 185 B17R0.117 CCCC/C=C\CCOCCCCCCCCO 34a_200016286491_100000033203 [0,1,0,0,0,0|0,0,2]=3 186 B17R0.117 CCCC/C=C\CCOCCCCCCCCO 7a_200016286491_100000033203 [0,1,0,0,0,0|0,0,2]=3 187 B17R0.117 CCCCC/C=C/C=C/COCCCCCCO 34a_200014065772_100000766143 [0,1,0,0,0,0|1,0,2]=4 188 B17R0.117 CCCCC/C=C/C=C/COCCCCCCO 7a_200014065772_100000766143 [0,1,0,0,0,0|1,0,2]=4 189 B17R0.117 CCCCC/C=C/COCCCCCCCCO 34a_100016258190_100000033203 [0,1,0,0,0,0|0,0,2]=3 190 B17R0.117 CCCCC/C=C/COCCCCCCCCO 7a_100016258190_100000033203 [0,1,0,0,0,0|0,0,2]=3 191 B17R0.117 CCCCC/C=C\CCCOCCCCCCO 34a_100020655193_100000766143 [0,1,0,0,0,0|0,0,2]=3 192 B17R0.117 CCCCC/C=C\CCCOCCCCCCO 7a_100020655193_100000766143 [0,1,0,0,0,0|0,0,2]=3 193 B17R0.117 CCCCC/C=C\CCOCCCCCCCO 34a_100016277358_100000760002 [0,1,0,0,0,0|0,0,2]=3 194 B17R0.117 CCCCC/C=C\CCOCCCCCCCO 7a_100016277358_100000760002 [0,1,0,0,0,0|0,0,2]=3 195 B17R0.117 CCCCC/C=C\CCOCCCCCCOC 34a_100016277358_100011998445 [0,1,0,0,0,0|1,0,2]=4 196 B17R0.117 CCCCC/C=C\CCOCCCCCCOC 7a_100016277358_100011998445 [0,1,0,0,0,0|1,0,2]=4 197 B17R0.117 CCCCCC/C=C/COCCCCCCCO 34a_200016276170_100000760002 [0,1,0,0,0,0|1,0,2]=4 198 B17R0.117 CCCCCC/C=C/COCCCCCCCO 7a_200016276170_100000760002 [0,1,0,0,0,0|1,0,2]=4 199 B17R0.117 CCCCCCCCCC/C=C/COCCCO 34a_200025761149_100000230001 [0,1,0,0,0,0|2,0,1]=4 200 B17R0.117 CCCCCCCCCC/C=C/COCCCO 7a_200025761149_100011215043 [0,1,0,0,0,0|2,0,1]=4 201 B17R0.117 CCCCCCCCCC/C=C/COCCOC 34a_200025761149_100011201679 [0,1,0,0,0,0|2,0,1]=4 202 B17R0.117 CCCCCCCCCC/C=C/COCCOC 7a_200025761149_100000233755 [0,1,0,0,0,0|2,0,1]=4 203 B17R0.117 CCCCCCCCCCC=CC=NNCCO 4a_100000210001_200016997505 [0,1,0,0,0,0|3,0,0]=4 204 B17R0.195 C#CC(O)CCCCCOC/C=C/C=C/CCC 34a_100016294078_200010408556 [0,1,0,0,0,0|2,0,1]=4 205 B17R0.196 CCC=CC(=O)CCCCCCCCCCCO 1458a_100000212282_100009812471 [0,1,0,0,0,0|0,0,3]=4 206 B17R0.196 CCC=CC(=O)NCCCCCCCCCCO 240690a_100000066964_100000212282 [0,1,0,0,0,0|1,0,2]=4 207 B17R0.196 CCCCC(=O)CCCCCCCCCCCO 1458a_100000210183_100009812471 [0,1,0,0,0,0|0,0,3]=4 208 B17R0.196 CCCCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000210183 [0,1,0,0,0,0|1,0,2]=4 209 B17R0.196 CCCCCCCCCCC=CC(=O)NCCC 11a_100020643023_100015291182 [0,1,0,0,0,0|2,0,0]=3 210 B17R0.196 CCCCCCCCCCC=CC(=O)NCCC 1626a_100020643023_100015291182 [0,1,0,0,0,0|2,0,0]=3 211 B17R0.196 CCCCCCCCCCC=CC(=O)NCCC 240690a_100020643023_100015291182 [0,1,0,0,0,0|2,0,0]=3 212 B17R0.196 CCCCCCCCCCC=CC(=O)NCCF 11a_100000724931_100015291182 [0,1,0,0,0,0|3,0,0]=4 213 B17R0.196 CCCCCCCCCCC=CC(=O)NCCF 1626a_100000724931_100015291182 [0,1,0,0,0,0|3,0,0]=4 214 B17R0.196 CCCCCCCCCCC=CC(=O)NCCF 240690a_100000724931_100015291182 [0,1,0,0,0,0|3,0,0]=4 215 B17R0.196 CCCCCCCCCCC=CC(=O)NCCO 240690a_100000210304_100015291182 [0,1,0,0,0,0|3,0,0]=4 216 B17R0.196 CCCCCCCCCCC=CC(=O)NNCC 22a_100000756455_100015291182 [0,1,0,0,0,0|3,0,0]=4 217 B17R0.196 CCCNC(=O)CCCCCCCCCCCO 240690a_100020643023_100000037981 [0,1,0,0,0,0|1,0,2]=4 218 B17R0.196 CCCNC(=O)CNCCCCCCCCCO 2230a_100000078944_100000183358 [0,1,0,0,0,0|2,0,1]=4 219 B17R0.196 CCCNC(=O)CNCCCCCCCCCO 2230a_100000174927_100009813782 [0,1,0,0,0,0|2,0,1]=4 220 B17R0.196 CCCNC(=O)CNCCCCCCCCCO 34a_100000078944_100000183358 [0,1,0,0,0,0|2,0,1]=4 221 B17R0.196 CCCNC(=O)CSCCCCCCCCCO 62a_100000183358_100009813782 [0,1,0,0,0,0|2,0,1]=4 222 B17R0.196 CCCNC(=O)CSCCCCCCCCCO 62a_100009813782_100000183358 [0,1,0,0,0,0|2,0,1]=4 223 B17R0.196 CCCNC(=O)NCCCCCCCCCCO 2708a_100000066964_100020643023 [0,1,0,0,0,0|2,0,1]=4 224 B17R0.196 CCCNC(=O)NCCCCCCCCCCO 2708a_100020643023_100000066964 [0,1,0,0,0,0|2,0,1]=4 225 B17R0.196 CCCNC(=O)NCCCCCCCCCCO 273464a_100000066964_100020643023 [0,1,0,0,0,0|2,0,1]=4 226 B17R0.196 CCCNC(=O)NCCCCCCCCCCO 273464a_100020643023_100000066964 [0,1,0,0,0,0|2,0,1]=4 227 B17R0.196 CCCNC(=O)NCCCCCCCCCCO 512a_100000066964_100020643023 [0,1,0,0,0,0|2,0,1]=4 228 B17R0.196 CCCNC(=O)NCCCCCCCCCCO 512a_100020643023_100000066964 [0,1,0,0,0,0|2,0,1]=4 229 B17R0.196 CCCOC(=O)CNCCCCCCCCCO 2230a_100000078944_200011215008 [0,1,0,0,0,0|2,0,1]=4 230 B17R0.196 CCCOC(=O)CNCCCCCCCCCO 34a_100000078944_200011215008 [0,1,0,0,0,0|2,0,1]=4 231 B17R0.196 CCCOC(=O)CSCCCCCCCCCO 62a_100009813782_200011215008 [0,1,0,0,0,0|2,0,1]=4 232 B17R0.196 CCCOC(=O)CSCCCCCCCCCO 62a_200011215008_100009813782 [0,1,0,0,0,0|2,0,1]=4 233 B17R0.250 CCCC(=O)CCCCCCCCCCCCO 1458a_100000211992_100009813331 [0,1,0,0,0,0|0,0,3]=4 234 B17R0.250 CCCC(=O)CNCCCCCCCCCCO 2230a_100000066964_100000747444 [0,1,0,0,0,0|1,0,2]=4 235 B17R0.250 CCCC(=O)CSCCCCCCCCCCO 62a_100000747444_200000033068 [0,1,0,0,0,0|1,0,2]=4 236 B17R0.250 CCCC(=O)CSCCCCCCCCCCO 62a_100009813290_100000747444 [0,1,0,0,0,0|1,0,2]=4 237 B17R0.250 CCCC(=O)OCNCCCCCCCCCO 2230a_100000078944_100000034017 [0,1,0,0,0,0|2,0,1]=4 238 B17R0.250 CCCC(=O)OCNCCCCCCCCCO 34a_100000078944_100000034017 [0,1,0,0,0,0|2,0,1]=4 239 B17R0.250 CCCC(=O)OCSCCCCCCCCCO 62a_100009813782_100000034017 [0,1,0,0,0,0|2,0,1]=4 240 B17R0.250 CCCCCCCCCCC=NNC(=O)CCC 4a_100000189770_100011218819 [0,1,0,0,0,0|3,0,0]=4 241 B17R0.250 CCOC(=O)/C=C/CNCCCCCCCCO 2230a_102515433106_100016267167 [0,1,0,0,0,0|2,0,1]=4 242 B17R0.250 CCOC(=O)/C=C/CNCCCCCCCCO 34a_102515433106_100016267167 [0,1,0,0,0,0|2,0,1]=4 243 B17R0.250 CCOC(=O)/C=C/CSCCCCCCCCO 62a_100000033203_100016267167 [0,1,0,0,0,0|2,0,1]=4 244 B17R0.250 CCOC(=O)/C=C/CSCCCCCCCCO 62a_100016267167_100000033203 [0,1,0,0,0,0|2,0,1]=4 245 B17R0.3110 C/C=C/C=CC(=O)CCCCCCCCCCO 1458a_100000185730_100009813290 [0,1,0,0,0,0|0,0,3]=4 246 B17R0.3110 C/C=C/C=CC(=O)NCCCCCCCCCO 240690a_100000078944_100000185730 [0,1,0,0,0,0|1,0,2]=4 247 B17R0.3110 CC/C=C/CC(=O)CCCCCCCCCCO 1458a_100016274230_100009813290 [0,1,0,0,0,0|0,0,3]=4 248 B17R0.3110 CC/C=C/CC(=O)NCCCCCCCCCO 240690a_100000078944_100016274230 [0,1,0,0,0,0|1,0,2]=4 249 B17R0.3110 CCCC#CC(=O)CCCCCCCCCCO 1458a_200011218047_100009813290 [0,1,0,0,0,0|0,0,3]=4 250 B17R0.3110 CCCC#CC(=O)NCCCCCCCCCO 240690a_100000078944_200011218047 [0,1,0,0,0,0|1,0,2]=4 251 B17R0.3110 CCCC=CC(=O)CCCCCCCCCCO 1458a_100000212230_100009813290 [0,1,0,0,0,0|0,0,1]=2 252 B17R0.3110 CCCC=CC(=O)NCCCCCCCCCC 11a_100000684558_100000212230 [0,1,0,0,0,0|2,0,0]=3 253 B17R0.3110 CCCC=CC(=O)NCCCCCCCCCC 1626a_100000684558_100000212230 [0,1,0,0,0,0|2,0,0]=3 254 B17R0.3110 CCCC=CC(=O)NCCCCCCCCCC 240690a_100000684558_100000212230 [0,1,0,0,0,0|2,0,0]=3 255 B17R0.3110 CCCC=CC(=O)NCCCCCCCCCO 240690a_100000078944_100000212230 [0,1,0,0,0,0|1,0,0]=2 256 B17R0.3110 CCCC=CC(=O)NCCCOCCOCCO 240690a_100011996194_100000212230 [0,1,0,0,0,0|3,0,0]=4 257 B17R0.3110 CCCCCC(=O)CCCCCCCCCCO 1458a_100000212188_100009813290 [0,1,0,0,0,0|0,0,3]=4 258 B17R0.3110 CCCCCC(=O)NCCCCCCCCCO 240690a_100000078944_100000212188 [0,1,0,0,0,0|1,0,2]=4 259 B17R0.3110 CCCCCCCCCCCC(=O)C=CCOC 1458a_100016285016_100011215454 [0,1,0,0,0,0|2,0,1]=4 260 B17R0.3110 CCCCCCCCCCNC(=O)C=CCOC 11a_100000684558_100016285016 [0,1,0,0,0,0|3,0,0]=4 261 B17R0.3110 CCCCCCCCCCNC(=O)C=CCOC 1626a_100000684558_100016285016 [0,1,0,0,0,0|3,0,0]=4 262 B17R0.3110 CCCCCCCCCCNC(=O)C=CCOC 240690a_100000684558_100016285016 [0,1,0,0,0,0|3,0,0]=4 263 B17R0.3110 CCCCCCCCCCNC(=O)C=COCC 11a_100000684558_100016266692 [0,1,0,0,0,0|3,0,0]=4 264 B17R0.3110 CCCCCCCCCCNC(=O)C=COCC 1626a_100000684558_100016266692 [0,1,0,0,0,0|3,0,0]=4 265 B17R0.3110 CCCCCCCCCCNC(=O)C=COCC 240690a_100000684558_100016266692 [0,1,0,0,0,0|3,0,0]=4 266 B17R0.3110 CCCCNC(=O)CCCCCCCCCCO 240690a_100000102301_200000016029 [0,1,0,0,0,0|1,0,2]=4 267 B17R0.3110 CCCCNC(=O)NCCCCCCCCCO 2708a_100000078944_100000102301 [0,1,0,0,0,0|2,0,1]=4 268 B17R0.3110 CCCCNC(=O)NCCCCCCCCCO 2708a_100000102301_100000078944 [0,1,0,0,0,0|2,0,1]=4 269 B17R0.3110 CCCCNC(=O)NCCCCCCCCCO 273464a_100000078944_100000102301 [0,1,0,0,0,0|2,0,1]=4 270 B17R0.3110 CCCCNC(=O)NCCCCCCCCCO 273464a_100000102301_100000078944 [0,1,0,0,0,0|2,0,1]=4 271 B17R0.3110 CCCCNC(=O)NCCCCCCCCCO 512a_100000078944_100000102301 [0,1,0,0,0,0|2,0,1]=4 272 B17R0.3110 CCCCNC(=O)NCCCCCCCCCO 512a_100000102301_100000078944 [0,1,0,0,0,0|2,0,1]=4 273 B17R0.3110 CCCNNC(=O)CCCCCCCCCCO 22a_100000740057_200000016029 [0,1,0,0,0,0|2,0,1]=4 274 B17R0.3110 CCCNNC(=O)NCCCCCCCCCO 273464a_100000078944_100000740057 [0,1,0,0,0,0|3,0,0]=4 275 B17R0.3110 CCCNNC(=O)NCCCCCCCCCO 512a_100000078944_100000740057 [0,1,0,0,0,0|3,0,0]=4 276 B17R0.3110 CCCNNC(=O)NCCCCCCCCCO 512a_100000740057_100000078944 [0,1,0,0,0,0|3,0,0]=4 277 B17R0.3110 CCCOCC(=O)CCCCCCCCCCO 1458a_100000745993_100009813290 [0,1,0,0,0,0|1,0,2]=4 278 B17R0.3110 CCCOCC(=O)NCCCCCCCCCO 240690a_100000078944_100000745993 [0,1,0,0,0,0|2,0,1]=4 279 B17R0.3110 CCCSCC(=O)CCCCCCCCCCO 1458a_100000217233_100009813290 [0,1,0,0,0,0|1,0,2]=4 280 B17R0.3110 CCCSCC(=O)NCCCCCCCCCO 240690a_100000078944_100000217233 [0,1,0,0,0,0|2,0,1]=4 281 B17R0.3110 CCOC=CC(=O)CCCCCCCCCCO 1458a_100016266692_100009813290 [0,1,0,0,0,0|1,0,1]=3 282 B17R0.3110 CCOC=CC(=O)NCCCCCCCCCO 240690a_100000078944_100016266692 [0,1,0,0,0,0|2,0,0]=3 283 B17R0.3110 COCC=CC(=O)CCCCCCCCCCO 1458a_100016285016_100009813290 [0,1,0,0,0,0|1,0,1]=3 284 B17R0.3110 COCC=CC(=O)NCCCCCCCCCO 240690a_100000078944_100016285016 [0,1,0,0,0,0|2,0,0]=3 285 B17R0.8809 C#CCCCCCCCC(=O)C=C/C=C/CCC 1458a_200016258893_100153394163 [0,1,0,0,0,0|1,0,2]=4 286 B17R0.8809 CCC/C=C/C=CC(=O)CCCCCCCCO 1458a_200016258893_100000033203 [0,1,0,0,0,0|0,0,1]=2 287 B17R0.8809 CCC/C=C/C=CC(=O)CCOCCOCCO 1458a_200016258893_100000032323 [0,1,0,0,0,0|2,0,1]=4 288 B17R0.8809 CCC/C=C/C=CC(=O)NCCCCCCCC 11a_100000229939_200016258893 [0,1,0,0,0,0|2,0,1]=4 289 B17R0.8809 CCC/C=C/C=CC(=O)NCCCCCCCC 1626a_100000229939_200016258893 [0,1,0,0,0,0|2,0,1]=4 290 B17R0.8809 CCC/C=C/C=CC(=O)NCCCCCCCC 240690a_100000229939_200016258893 [0,1,0,0,0,0|2,0,1]=4 291 B17R0.8809 CCC/C=C/C=CC(=O)NCCCCCCCO 240690a_100011996573_200016258893 [0,1,0,0,0,0|1,0,1]=3 292 B17R0.8809 CCC/C=C/C=CC(=O)NCCCOCCCO 240690a_100011310245_200016258893 [0,1,0,0,0,0|2,0,1]=4 293 B17R0.8809 CCCC/C=C/CC(=O)CCCCCCCCO 1458a_200016282684_100000033203 [0,1,0,0,0,0|0,0,3]=4 294 B17R0.8809 CCCCC/C=C/CCC(=O)CCCCCCO 1458a_200015255902_100000766143 [0,1,0,0,0,0|0,0,3]=4 295 B17R0.8809 CCCCCC=CC(=O)CCCCCCCCO 1458a_100016263427_100000033203 [0,1,0,0,0,0|0,0,3]=4 296 B17R0.12412 CCC/C=C/CC(=O)CCCCCCCCCO 1458a_200016266809_100009813782 [0,1,0,0,0,0|0,0,1]=2 297 B17R0.12412 CCC/C=C/CC(=O)NCCCCCCCCC 11a_100000212291_200016266809 [0,1,0,0,0,0|2,0,1]=4 298 B17R0.12412 CCC/C=C/CC(=O)NCCCCCCCCC 1626a_100000212291_200016266809 [0,1,0,0,0,0|2,0,1]=4 299 B17R0.12412 CCC/C=C/CC(=O)NCCCCCCCCC 240690a_100000212291_200016266809 [0,1,0,0,0,0|2,0,1]=4 300 B17R0.12412 CCC/C=C/CC(=O)NCCCCCCCCC 527a_100000212291_200016266809 [0,1,0,0,0,0|2,0,1]=4 301 B17R0.12412 CCC/C=C/CC(=O)NCCCCCCCCO 240690a_102515433106_200016266809 [0,1,0,0,0,0|1,0,1]=3 302 B17R0.12412 CCCCC=CC(=O)CCCCCCCCCO 1458a_100016266645_100009813782 [0,1,0,0,0,0|0,0,1]=2 303 B17R0.12412 CCCCC=CC(=O)NCCCCCCCCC 11a_100000212291_100016266645 [0,1,0,0,0,0|2,0,1]=4 304 B17R0.12412 CCCCC=CC(=O)NCCCCCCCCC 1626a_100000212291_100016266645 [0,1,0,0,0,0|2,0,1]=4 305 B17R0.12412 CCCCC=CC(=O)NCCCCCCCCC 240690a_100000212291_100016266645 [0,1,0,0,0,0|2,0,1]=4 306 B17R0.12412 CCCCC=CC(=O)NCCCCCCCCO 240690a_102515433106_100016266645 [0,1,0,0,0,0|1,0,1]=3 307 B17R0.12412 CCCCCCC(=O)CCCCCCCCCO 1458a_100102632555_100009813782 [0,1,0,0,0,0|0,0,3]=4 308 B17R0.12412 CCCCCNC(=O)CCCCCCCCCO 240690a_100000209983_100000032657 [0,1,0,0,0,0|1,0,2]=4 309 B17R0.12412 CCCCNNC(=O)CCCCCCCCCO 22a_100025702795_100000032657 [0,1,0,0,0,0|2,0,1]=4 310 B17R0.12412 CCCCOCC(=O)CCCCCCCCCO 1458a_100000757543_100009813782 [0,1,0,0,0,0|1,0,2]=4 311 B17R0.12412 CCCCSCC(=O)CCCCCCCCCO 1458a_100000191162_100009813782 [0,1,0,0,0,0|1,0,2]=4 312 B17R1.315 CCc1ccccc1CCNCCCCCO 2230a_100011663701_100000746330 [0,0,0,1,0,0|1,0,2]=4 313 B17R1.315 CCc1ccccc1CCNCCCCCO 34a_100011663701_100000746330 [0,0,0,1,0,0|1,0,2]=4 314 B17R1.315 CCc1ccccc1CNCCCCCCO 207a_100000686447_100011219594 [0,0,0,1,0,0|1,0,2]=4 315 B17R1.315 CCc1ccccc1CNCCCCCCO 270004a_100000686447_100011219594 [0,0,0,1,0,0|1,0,2]=4 316 B17R1.315 CCc1ccccc1COCCCCCCO 34a_100011663872_100000766143 [0,0,0,1,0,0|1,0,2]=4 317 B17R1.315 CCc1ccccc1COCCCCCCO 7a_100011663872_100000766143 [0,0,0,1,0,0|1,0,2]=4 318 B17R1.315 CCc1ccccc1NCCCCCCCO 2230a_100000212081_100000760002 [0,0,0,1,0,0|1,0,2]=4 319 B17R1.315 CCc1ccccc1NCCCCCCCO 34a_100000212081_100000760002 [0,0,0,1,0,0|1,0,2]=4 320 B17R1.315 CCc1ccccc1NCCCCCCCO 7a_100000212081_100000760002 [0,0,0,1,0,0|1,0,2]=4 321 B17R1.315 CCc1ccccc1OCCCCCCCO 34a_100000210936_100000760002 [0,0,0,1,0,0|1,0,2]=4 322 B17R1.315 CCc1ccccc1OCCCCCCCO 7a_100000210936_100000760002 [0,0,0,1,0,0|1,0,2]=4 323 B17R1.315 CCc1ccccc1SCCCCCCCO 62a_100000760002_100011215823 [0,0,0,1,0,0|1,0,2]=4 324 B17R1.315 CCc1ccccc1SCCCCCCCO 62a_100011215823_100000760002 [0,0,0,1,0,0|1,0,2]=4 325 B17R1.1242 CC/C=C/C/C=C/CCOCC1CCCCO1 34a_200016273837_100000211543 [0,0,0,1,0,0|1,0,2]=4 326 B17R1.1242 CC/C=C/C/C=C/CCOCC1CCCCO1 7a_200016273837_100000211543 [0,0,0,1,0,0|1,0,2]=4 327 B17R1.1242 CCC/C=C/C=C/COCCC1CCCCC1 34a_100016294078_100011209188 [0,0,0,1,0,0|2,0,0]=3 328 B17R1.1242 CCC/C=C/C=C/COCCC1CCOCC1 34a_100016294078_100011934994 [0,0,0,1,0,0|3,0,0]=4 329 B17R1.1242 CCC/C=C/C=C/COCCC1OCCCO1 34a_100016294078_100000764188 [0,0,0,1,0,0|2,0,0]=3 330 B17R1.1242 CCC/C=C/C=C/COCCN1CCCCC1 34a_100016294078_100000739454 [0,0,0,1,0,0|3,0,0]=4 331 B17R1.1242 CCC/C=C/C=C/COCOC1CCCCC1 34a_100016294078_100011935260 [0,0,0,1,0,0|3,0,0]=4 332 B17R1.1242 CCC/C=C/COCCCOC1CCCCO1 34a_100016278788_100000700653 [0,0,0,1,0,0|2,0,1]=4 333 B17R1.1242 CCC/C=C/COCCCOC1CCCCO1 7a_100016278788_100000700653 [0,0,0,1,0,0|2,0,1]=4 334 B17R1.1242 CCCCC/C=C\CCOCC1CCCCO1 34a_100016277358_100000211543 [0,0,0,1,0,0|1,0,2]=4 335 B17R1.1242 CCCCC/C=C\CCOCC1CCCCO1 7a_100016277358_100000211543 [0,0,0,1,0,0|1,0,2]=4 336 B17R1.1242 CCCCCCCCCCNC1C=CCCC1 2230a_100000684558_100000751183 [0,0,0,1,0,0|2,0,1]=4 337 B17R1.1242 OCCCCCCCCCNC1C=CCCC1 2230a_100000078944_100000751183 [0,0,0,1,0,0|1,0,1]=3 338 B17R1.1242 OCCCCCCCCCOC1C=CCCC1 34a_100011215024_100009813782 [0,0,0,1,0,0|1,0,1]=3 339 B17R1.1242 OCCCCCCCCCSC1C=CCCC1 62a_100000751183_100009813782 [0,0,0,1,0,0|1,0,1]=3 340 B17R1.1242 OCCCCCCCCCSC1C=CCCC1 62a_100009813782_100000751183 [0,0,0,1,0,0|1,0,1]=3 341 B17R1.1242 OCCCCCCCNCCC1=CCCCC1 2230a_100000212019_100000760002 [0,0,0,1,0,0|1,0,2]=4 342 B17R1.1242 OCCCCCCCNCCC1=CCCCC1 34a_100000212019_100000760002 [0,0,0,1,0,0|1,0,2]=4 343 B17R1.1425 CCC/C=C/C=C/COCCCC1CCCC1 34a_100016294078_100011713738 [0,0,0,1,0,0|2,0,0]=3 344 B17R1.1425 CCC/C=C/C=C/COCCCC1OCCO1 34a_100016294078_100009861162 [0,0,0,1,0,0|2,0,0]=3 345 B17R1.1425 CCC/C=C/C=C/COCCCN1CCCC1 34a_100016294078_100016991639 [0,0,0,1,0,0|3,0,0]=4 346 B17R1.1425 CCCC/C=C/CCCCOCC1CCCO1 7a_200020645093_100000203698 [0,0,0,1,0,0|1,0,2]=4 347 B17R1.1425 CCCCC/C=C\CCCOCC1CCCO1 7a_100020655193_100000203698 [0,0,0,1,0,0|1,0,2]=4 348 B17R1.1450 CC/C=C/C/C=C/CCOC1CCCCC1O 34a_200016273837_100000038908 [0,0,0,1,0,0|1,0,2]=4 349 B17R1.1450 CC1CC=CCC1CNCCCCCCCO 269862a_100011996573_100000117039 [0,0,0,1,0,0|1,0,2]=4 350 B17R1.1450 CC1CC=CCC1CNCCCCCCCO 270004a_100011996573_100000117039 [0,0,0,1,0,0|1,0,2]=4 351 B17R1.1450 CC1CC=CCC1COCCCCCCCO 34a_100000211322_100000760002 [0,0,0,1,0,0|1,0,2]=4 352 B17R1.1450 CCC/C=C/C=C/COCC1CCCCN1C 34a_100016294078_100015186950 [0,0,0,1,0,0|3,0,0]=4 353 B17R1.1450 CCCCC/C=C\CCOC1CCCCC1O 34a_100016277358_100000038908 [0,0,0,1,0,0|1,0,2]=4 354 B17R1.1450 CCCCCCCCCCc1cccc[n+]1C 271570a_100000061613_100000212160 [0,0,0,1,0,0|2,0,1]=4 355 B17R1.1450 C[n+]1ccccc1SCCCCCCCCO 62a_100000033203_100000212160 [0,0,0,1,0,0|2,0,1]=4 356 B17R1.1450 Cc1ccccc1CCNCCCCCCO 2230a_100000685071_100000766143 [0,0,0,1,0,0|1,0,2]=4 357 B17R1.1450 Cc1ccccc1CCNCCCCCCO 2230a_100000686447_100011713688 [0,0,0,1,0,0|1,0,2]=4 358 B17R1.1450 Cc1ccccc1CCNCCCCCCO 34a_100000685071_100000766143 [0,0,0,1,0,0|1,0,2]=4 359 B17R1.1450 Cc1ccccc1CCNCCCCCCO 34a_100000686447_100011713688 [0,0,0,1,0,0|1,0,2]=4 360 B17R1.1450 Cc1ccccc1CCOCCCCCCO 34a_100011220023_100000766143 [0,0,0,1,0,0|1,0,2]=4 361 B17R1.1450 Cc1ccccc1CCOCCCCCCO 7a_100011220023_100000766143 [0,0,0,1,0,0|1,0,2]=4 362 B17R1.1450 Cc1ccccc1CCSCCCCCCO 62a_100000766143_100011713688 [0,0,0,1,0,0|1,0,2]=4 363 B17R1.1450 Cc1ccccc1CCSCCCCCCO 62a_100011713688_100000766143 [0,0,0,1,0,0|1,0,2]=4 364 B17R1.1450 Cc1ccccc1CNCCCCCCCO 207a_100011996573_100000211143 [0,0,0,1,0,0|1,0,2]=4 365 B17R1.1450 Cc1ccccc1CNCCCCCCCO 2230a_100011996573_100000211839 [0,0,0,1,0,0|1,0,2]=4 366 B17R1.1450 Cc1ccccc1CNCCCCCCCO 270004a_100011996573_100000211143 [0,0,0,1,0,0|1,0,2]=4 367 B17R1.1450 Cc1ccccc1CNCCCCCCCO 34a_100000174972_100000760002 [0,0,0,1,0,0|1,0,2]=4 368 B17R1.1450 Cc1ccccc1CNCCCCCCCO 34a_100011996573_100000211839 [0,0,0,1,0,0|1,0,2]=4 369 B17R1.1450 Cc1ccccc1COCCCCCCCO 34a_100000698903_100000760002 [0,0,0,1,0,0|1,0,2]=4 370 B17R1.1450 Cc1ccccc1COCCCCCCCO 7a_100000698903_100000760002 [0,0,0,1,0,0|1,0,2]=4 371 B17R1.1450 Cc1ccccc1CSCCCCCCCO 62a_100000211839_100000760002 [0,0,0,1,0,0|1,0,2]=4 372 B17R1.1450 Cc1ccccc1CSCCCCCCCO 62a_100000760002_100000211839 [0,0,0,1,0,0|1,0,2]=4 373 B17R1.1450 Cc1ccccc1NCCCCCCCCO 34a_100015192222_100000033203 [0,0,0,1,0,0|1,0,2]=4 374 B17R1.1450 Cc1ccccc1OCCCCCCCCO 34a_100000210338_100000033203 [0,0,0,1,0,0|1,0,2]=4 375 B17R1.1450 Cc1ccccc1OCCCCCCCCO 7a_100000210338_100000033203 [0,0,0,1,0,0|1,0,2]=4 376 B17R1.1450 Cc1ccccc1SCCCCCCCCO 62a_100000033203_100000210755 [0,0,0,1,0,0|1,0,2]=4 377 B17R1.1450 Cc1ccccc1SCCCCCCCCO 62a_100000210755_100000033203 [0,0,0,1,0,0|1,0,2]=4 378 B17R1.1450 Cc1ncccc1CNCCCCCCCO 207a_100011996573_100000751968 [0,0,0,1,0,0|2,0,1]=4 379 B17R1.1450 Cc1ncccc1CNCCCCCCCO 2230a_100011996573_100000732876 [0,0,0,1,0,0|2,0,1]=4 380 B17R1.1450 Cc1ncccc1CNCCCCCCCO 270004a_100011996573_100000751968 [0,0,0,1,0,0|2,0,1]=4 381 B17R1.1450 Cc1ncccc1CNCCCCCCCO 34a_100011996573_100000732876 [0,0,0,1,0,0|2,0,1]=4 382 B17R1.1450 Cc1ncccc1COCCCCCCCO 34a_100000729262_100000760002 [0,0,0,1,0,0|2,0,1]=4 383 B17R1.1450 Cc1ncccc1COCCCCCCCO 7a_100000729262_100000760002 [0,0,0,1,0,0|2,0,1]=4 384 B17R1.1450 Cc1ncccc1CSCCCCCCCO 62a_100000732876_100000760002 [0,0,0,1,0,0|2,0,1]=4 385 B17R1.1450 Cc1ncccc1CSCCCCCCCO 62a_100000760002_100000732876 [0,0,0,1,0,0|2,0,1]=4 386 B17R1.1450 Cc1ncccc1OCCCCCCCCO 34a_100000745507_100000033203 [0,0,0,1,0,0|2,0,1]=4 387 B17R1.1450 Cc1ncccc1OCCCCCCCCO 7a_100000745507_100000033203 [0,0,0,1,0,0|2,0,1]=4 388 B17R1.1450 Cc1ncccc1SCCCCCCCCO 62a_100000033203_100000751574 [0,0,0,1,0,0|2,0,1]=4 389 B17R1.1450 Cc1ncccc1SCCCCCCCCO 62a_100000751574_100000033203 [0,0,0,1,0,0|2,0,1]=4 390 B17R1.1451 CCC1C=CCN1CCCCCCCCCO 2230a_100000730860_100009813782 [0,0,0,1,0,0|1,0,1]=3 391 B17R1.1451 CCC1C=CCN1CCCCCCCCCO 269982a_100000730860_100009813782 [0,0,0,1,0,0|1,0,1]=3 392 B17R1.1451 CCC1C=CCN1CCCCCCCCCO 34a_100000730860_100009813782 [0,0,0,1,0,0|1,0,1]=3 393 B17R1.1451 CCCCCCCCCCN1CC=CC1CC 2230a_100000730860_100000210320 [0,0,0,1,0,0|2,0,1]=4 394 B17R1.1451 CCCCCCCCCCN1CC=CC1CC 269982a_100000730860_100000210320 [0,0,0,1,0,0|2,0,1]=4 395 B17R1.1451 CCCCCCCCCCN1CC=CC1CC 34a_100000730860_100000210320 [0,0,0,1,0,0|2,0,1]=4 396 B17R1.1451 CCCCCCCCCCc1ccnn1CC 271570a_100000061613_100000728327 [0,0,0,1,0,0|3,0,0]=4 397 B17R1.1451 CCCCCCCCCCc1nccn1CC 271570a_100000061613_100011617267 [0,0,0,1,0,0|3,0,0]=4 398 B17R1.1451 CCCCCCCCNCc1cccn1CC 2230a_103496549365_100000210759 [0,0,0,1,0,0|3,0,0]=4 399 B17R1.1451 CCCCCCCCNCc1cccn1CC 270004a_100000229939_100011302050 [0,0,0,1,0,0|3,0,0]=4 400 B17R1.1451 CCCCCCCCNCc1cccn1CC 34a_103496549365_100000210759 [0,0,0,1,0,0|3,0,0]=4 401 B17R1.1451 CCc1ccsc1SCCCCCCCCO 62a_100000033203_200009875468 [0,0,0,1,0,0|2,0,1]=4 402 B17R1.1451 CCc1ccsc1SCCCCCCCCO 62a_200009875468_100000033203 [0,0,0,1,0,0|2,0,1]=4 403 B17R1.1451 CCc1cscc1SCCCCCCCCO 62a_100000033203_100011068457 [0,0,0,1,0,0|2,0,1]=4 404 B17R1.1451 CCc1cscc1SCCCCCCCCO 62a_100011068457_100000033203 [0,0,0,1,0,0|2,0,1]=4 405 B17R1.1451 CCn1cccc1CNCCCCCCCO 2230a_103496549365_100000760002 [0,0,0,1,0,0|2,0,0]=3 406 B17R1.1451 CCn1cccc1CNCCCCCCCO 270004a_100011996573_100011302050 [0,0,0,1,0,0|2,0,0]=3 407 B17R1.1451 CCn1cccc1CNCCCCCCCO 34a_103496549365_100000760002 [0,0,0,1,0,0|2,0,0]=3 408 B17R1.1451 CCn1cccc1CNCCCOCCCO 270004a_100011310245_100011302050 [0,0,0,1,0,0|3,0,0]=4 409 B17R1.1451 CCn1ccnc1CNCCCCCCCO 207a_100011996573_100000748659 [0,0,0,1,0,0|3,0,0]=4 410 B17R1.1451 CCn1ccnc1CNCCCCCCCO 270004a_100011996573_100000748659 [0,0,0,1,0,0|3,0,0]=4 411 B17R1.1451 CCn1ccnc1COCCCCCCCO 7a_100000740674_100000760002 [0,0,0,1,0,0|3,0,0]=4 412 B17R1.1451 CCn1ccnc1SCCCCCCCCO 62a_100000033203_100011617267 [0,0,0,1,0,0|3,0,0]=4 413 B17R1.1451 CCn1ccnc1SCCCCCCCCO 62a_100011617267_100000033203 [0,0,0,1,0,0|3,0,0]=4 414 B17R1.1451 CCn1cncc1CNCCCCCCCO 207a_100011996573_100011361554 [0,0,0,1,0,0|3,0,0]=4 415 B17R1.1451 CCn1cncc1CNCCCCCCCO 2230a_100011996573_100015185705 [0,0,0,1,0,0|3,0,0]=4 416 B17R1.1451 CCn1cncc1CNCCCCCCCO 270004a_100011996573_100011361554 [0,0,0,1,0,0|3,0,0]=4 417 B17R1.1451 CCn1cncc1CNCCCCCCCO 34a_100011996573_100015185705 [0,0,0,1,0,0|3,0,0]=4 418 B17R1.1451 CCn1cncc1CSCCCCCCCO 62a_100000760002_100015185705 [0,0,0,1,0,0|3,0,0]=4 419 B17R1.1451 CCn1cncc1CSCCCCCCCO 62a_100015185705_100000760002 [0,0,0,1,0,0|3,0,0]=4 420 B17R1.1451 CCn1nccc1CNCCCCCCCO 207a_100011996573_100000763647 [0,0,0,1,0,0|3,0,0]=4 421 B17R1.1451 CCn1nccc1CNCCCCCCCO 2230a_100011996573_100025719316 [0,0,0,1,0,0|3,0,0]=4 422 B17R1.1451 CCn1nccc1CNCCCCCCCO 270004a_100011996573_100000763647 [0,0,0,1,0,0|3,0,0]=4 423 B17R1.1451 CCn1nccc1CNCCCCCCCO 34a_100011996573_100025719316 [0,0,0,1,0,0|3,0,0]=4 424 B17R1.1451 CCn1nccc1COCCCCCCCO 34a_100011962870_100000760002 [0,0,0,1,0,0|3,0,0]=4 425 B17R1.1451 CCn1nccc1CSCCCCCCCO 62a_100000760002_100025719316 [0,0,0,1,0,0|3,0,0]=4 426 B17R1.1451 CCn1nccc1CSCCCCCCCO 62a_100025719316_100000760002 [0,0,0,1,0,0|3,0,0]=4 427 B17R1.1451 CCn1nccc1OCCCCCCCCO 34a_100012181048_100000033203 [0,0,0,1,0,0|3,0,0]=4 428 B17R1.1451 CCn1nccc1SCCCCCCCCO 62a_100000033203_100000728327 [0,0,0,1,0,0|3,0,0]=4 429 B17R1.1451 CCn1nccc1SCCCCCCCCO 62a_100000728327_100000033203 [0,0,0,1,0,0|3,0,0]=4 430 B17R1.5241 CCC/C=C/C=C/COCCC1CCCN1C 34a_100016294078_100000005710 [0,0,0,1,0,0|3,0,0]=4 431 B17R1.5241 Cc1sccc1SCCCCCCCCCO 62a_100000684487_100009813782 [0,0,0,1,0,0|2,0,1]=4 432 B17R1.5241 Cc1sccc1SCCCCCCCCCO 62a_100009813782_100000684487 [0,0,0,1,0,0|2,0,1]=4 433 B17R1.5241 Cn1nccc1OCCCCCCCCCO 34a_100020632926_100009813782 [0,0,0,1,0,0|3,0,0]=4 434 B17R1.5241 Cn1nccc1SCCCCCCCCCO 62a_100000688441_100009813782 [0,0,0,1,0,0|3,0,0]=4 435 B17R1.5241 Cn1nccc1SCCCCCCCCCO 62a_100009813782_100000688441 [0,0,0,1,0,0|3,0,0]=4 436 B17R1.7906 CCCCC1C=CCN1CCCCCCCO 2230a_100015184376_100000760002 [0,0,0,1,0,0|1,0,2]=4 437 B17R1.7906 CCCCC1C=CCN1CCCCCCCO 269982a_100015184376_100000760002 [0,0,0,1,0,0|1,0,2]=4 438 B17R1.7906 CCCCC1C=CCN1CCCCCCCO 34a_100015184376_100000760002 [0,0,0,1,0,0|1,0,2]=4 439 B17R1.10640 CCCc1ccccc1NCCCCCCO 2230a_100000737634_100000766143 [0,0,0,1,0,0|1,0,2]=4 440 B17R1.10640 CCCc1ccccc1NCCCCCCO 34a_100000737634_100000766143 [0,0,0,1,0,0|1,0,2]=4 441 B17R1.10640 CCCc1ccccc1NCCCCCCO 7a_100000737634_100000766143 [0,0,0,1,0,0|1,0,2]=4 442 B17R1.10640 CCCc1ccccc1OCCCCCCO 34a_100011217252_100000766143 [0,0,0,1,0,0|1,0,2]=4 443 B17R1.10640 CCCc1ccccc1OCCCCCCO 7a_100011217252_100000766143 [0,0,0,1,0,0|1,0,2]=4 444 B17R1.25275 OCCCCCCCNC1CC/C=C\CCC1 34a_100011996573_100021000466 [0,0,0,1,0,0|1,0,2]=4 445 B17R1.25275 OCCCCCCCOC1C=CCCCCC1 34a_100000688657_100000760002 [0,0,0,1,0,0|1,0,2]=4 446 B17R1.25275 OCCCCCCCOC1CC/C=C\CCC1 34a_100016989180_100000760002 [0,0,0,1,0,0|1,0,2]=4 447 B17R1.25275 OCCCCCCCSC1CC/C=C\CCC1 62a_100000760002_100021000466 [0,0,0,1,0,0|1,0,2]=4 448 B17R1.25275 OCCCCCCCSC1CC/C=C\CCC1 62a_100021000466_100000760002 [0,0,0,1,0,0|1,0,2]=4 449 B17R1.25275 OCCCCCCNCC1CC/C=C\CCC1 2230a_100102730862_100000766143 [0,0,0,1,0,0|1,0,2]=4 450 B17R1.25275 OCCCCCCNCC1CC/C=C\CCC1 34a_100102730862_100000766143 [0,0,0,1,0,0|1,0,2]=4 451 B17R1.29093 CCCC/C=C/CCCCOCCCC1CO1 34a_200020645093_100000733510 [0,0,0,1,0,0|1,0,2]=4 452 B17R1.29093 CCCC/C=C/CCCCOCCCC1CO1 7a_200020645093_100000733510 [0,0,0,1,0,0|1,0,2]=4 453 B17R1.29093 CCCCC/C=C\CCCOCCCC1CO1 34a_100020655193_100000733510 [0,0,0,1,0,0|1,0,2]=4 454 B17R1.29093 CCCCC/C=C\CCCOCCCC1CO1 7a_100020655193_100000733510 [0,0,0,1,0,0|1,0,2]=4 455 B17R1.29199 CCC/C=C/C=C/COCC1CCCCCC1 34a_100016294078_200000696569 [0,0,0,1,0,0|2,0,0]=3 456 B14R0.392 C/C=C/C=C/CCCCCCCOCC 34a_100020681108_100000210202 [2,0,0,0,0,0|2,0,0]=4 457 B14R0.392 C/C=C/C=C/CCCCCCCOCC 7a_100020681108_100000210202 [2,0,0,0,0,0|2,0,0]=4 458 B14R0.392 C/C=C/C=C/CCCCCCCOCF 34a_100020681108_100015361967 [2,0,0,0,0,0|2,0,0]=4 459 B14R0.392 C/C=C/C=C/CCCCCCCOCF 7a_100020681108_100015361967 [2,0,0,0,0,0|2,0,0]=4 460 B14R0.392 C/C=C/C=C/COCCCCCCCC 34a_100016283227_100000210759 [2,0,0,0,0,0|2,0,0]=4 461 B14R0.392 C/C=C/C=C/COCCCCCCCO 34a_100016283227_100000760002 [2,0,0,0,0,0|1,0,0]=3 462 B14R0.392 C/C=C/CNCCCCCCCCCO 34a_100000078944_100102629194 [2,0,0,0,0,0|1,0,1]=4 463 B14R0.392 C/C=C/COCCCCCCCCCO 34a_100016270725_100009813782 [2,0,0,0,0,0|1,0,1]=4 464 B14R0.392 C/C=C/CSCCCCCCCCCO 62a_100009813782_100102629194 [2,0,0,0,0,0|1,0,1]=4 465 B14R0.392 C/C=C/CSCCCCCCCCCO 62a_100102629194_100009813782 [2,0,0,0,0,0|1,0,1]=4 466 B14R0.392 CC/C=C/CCCOCCCCCCO 34a_100016287902_100000766143 [2,0,0,0,0,0|1,0,1]=4 467 B14R0.392 CC/C=C/CCCOCCCCCCO 7a_100016287902_100000766143 [2,0,0,0,0,0|1,0,1]=4 468 B14R0.392 CC/C=C\CCCCCCCNCCO 269862a_100000210304_200025770492 [2,0,0,0,0,0|1,0,1]=4 469 B14R0.392 CC/C=C\CCCCCNCCCCO 269862a_100000750430_100016288537 [2,0,0,0,0,0|1,0,1]=4 470 B14R0.392 CC/C=C\CCCCCOCCCCO 34a_100016268722_100011216708 [2,0,0,0,0,0|1,0,1]=4 471 B14R0.392 CC/C=C\CCCCCOCCCCO 7a_100016268722_100000210776 [2,0,0,0,0,0|1,0,1]=4 472 B14R0.392 CC/C=C\CCCCOCCCCCO 34a_100016287862_100000746330 [2,0,0,0,0,0|1,0,1]=4 473 B14R0.392 CC/C=C\CCCCOCCCCCO 7a_100016287862_100000746330 [2,0,0,0,0,0|1,0,1]=4 474 B14R0.392 CC/C=C\CCNCCCCCCCO 2230a_100011996573_100015370543 [2,0,0,0,0,0|1,0,1]=4 475 B14R0.392 CC/C=C\CCNCCCCCCCO 34a_100011996573_100015370543 [2,0,0,0,0,0|1,0,1]=4 476 B14R0.392 CC/C=C\CCOCCCCCCCO 34a_100016288707_100000760002 [2,0,0,0,0,0|1,0,1]=4 477 B14R0.392 CC/C=C\CCOCCCCCCCO 7a_100016288707_100000760002 [2,0,0,0,0,0|1,0,1]=4 478 B14R0.392 CC/C=C\CCSCCCCCCCO 62a_100000760002_100015370543 [2,0,0,0,0,0|1,0,1]=4 479 B14R0.392 CC/C=C\CCSCCCCCCCO 62a_100015370543_100000760002 [2,0,0,0,0,0|1,0,1]=4 480 B14R0.392 CC/C=C\CNCCCCCCCCC 2230a_100000212291_100103147603 [2,0,0,0,0,0|1,0,1]=4 481 B14R0.392 CC/C=C\CNCCCCCCCCC 34a_100000212291_100103147603 [2,0,0,0,0,0|1,0,1]=4 482 B14R0.392 CC/C=C\CNCCCCCCCCO 2230a_102515433106_100103147603 [2,0,0,0,0,0|1,0,1]=4 483 B14R0.392 CC/C=C\CNCCCCCCCCO 34a_102515433106_100103147603 [2,0,0,0,0,0|1,0,1]=4 484 B14R0.392 CC/C=C\COCCCCCCCCC 34a_100000210712_100103147603 [2,0,0,0,0,0|1,0,1]=4 485 B14R0.392 CC/C=C\COCCCCCCCCC 34a_100016268518_100011214924 [2,0,0,0,0,0|1,0,1]=4 486 B14R0.392 CC/C=C\COCCCCCCCCC 7a_100000210712_100103147603 [2,0,0,0,0,0|1,0,1]=4 487 B14R0.392 CC/C=C\COCCCCCCCCO 34a_100016268518_100000033203 [2,0,0,0,0,0|1,0,1]=4 488 B14R0.392 CC/C=C\CSCCCCCCCCO 62a_100000033203_100103147603 [2,0,0,0,0,0|1,0,1]=4 489 B14R0.392 CC/C=C\CSCCCCCCCCO 62a_100103147603_100000033203 [2,0,0,0,0,0|1,0,1]=4 490 B14R0.392 CC=CCNCCCCCCCCCO 2230a_100000078944_100000070051 [2,0,0,0,0,0|1,0,1]=4 491 B14R0.392 CC=CCNCCCCCCCCCO 34a_100000078944_100000070051 [2,0,0,0,0,0|1,0,1]=4 492 B14R0.392 CC=CCSCCCCCCCCCO 62a_100000070051_100009813782 [2,0,0,0,0,0|1,0,1]=4 493 B14R0.392 CC=CCSCCCCCCCCCO 62a_100009813782_100000070051 [2,0,0,0,0,0|1,0,1]=4 494 B14R0.392 CCC/C=C/C=C/COCCCCCC 34a_100016294078_100000210314 [2,0,0,0,0,0|1,0,0]=3 495 B14R0.392 CCC/C=C/C=C/COCCCCCF 34a_100016294078_100000729378 [2,0,0,0,0,0|2,0,0]=4 496 B14R0.392 CCC/C=C/C=C/COCCCCCO 34a_100016294078_100000746330 [2,0,0,0,0,0|1,0,0]=3 497 B14R0.392 CCC/C=C/C=C/COCCCCOC 34a_100016294078_100000755781 [2,0,0,0,0,0|2,0,0]=4 498 B14R0.392 CCC/C=C/C=C/COCCCOCC 34a_100016294078_100012232248 [2,0,0,0,0,0|2,0,0]=4 499 B14R0.392 CCC/C=C/C=C/COCCOCCC 34a_100016294078_100011215938 [2,0,0,0,0,0|2,0,0]=4 500 B14R0.392 CCC/C=C/C=C/COCCOCCO 34a_100016294078_100000692535 [2,0,0,0,0,0|2,0,0]=4 501 B14R0.392 CCC/C=C/C=C/COCOCCCC 34a_100016294078_100011995733 [2,0,0,0,0,0|2,0,0]=4 502 B14R0.392 CCC/C=C/COCCCCCCCC 34a_100016278788_100000210759 [2,0,0,0,0,0|1,0,1]=4 503 B14R0.392 CCC/C=C/COCCCCCCCC 7a_100016278788_100000210759 [2,0,0,0,0,0|1,0,1]=4 504 B14R0.392 CCC/C=C/COCCCCCCCO 34a_100016278788_100000760002 [2,0,0,0,0,0|1,0,0]=3 505 B14R0.392 CCC/C=C/COCCCCCCCO 7a_100016278788_100000760002 [2,0,0,0,0,0|1,0,0]=3 506 B14R0.392 CCCC/C=C/CCCCOCCCC 34a_200020645093_100000210210 [2,0,0,0,0,0|1,0,1]=4 507 B14R0.392 CCCC/C=C/CCCCOCCCC 7a_200020645093_100000210211 [2,0,0,0,0,0|1,0,1]=4 508 B14R0.392 CCCC/C=C/CCCCOCCCO 34a_200020645093_100000230001 [2,0,0,0,0,0|1,0,1]=4 509 B14R0.392 CCCC/C=C/CCCCOCCCO 7a_200020645093_100011215043 [2,0,0,0,0,0|1,0,1]=4 510 B14R0.392 CCCC/C=C/COCCCCCCC 34a_200016272032_100000210614 [2,0,0,0,0,0|1,0,1]=4 511 B14R0.392 CCCC/C=C/COCCCCCCC 7a_200016272032_100000210614 [2,0,0,0,0,0|1,0,1]=4 512 B14R0.392 CCCC/C=C/COCCCCCCO 34a_200016272032_100000766143 [2,0,0,0,0,0|1,0,1]=4 513 B14R0.392 CCCC/C=C/COCCCCCCO 7a_200016272032_100000766143 [2,0,0,0,0,0|1,0,1]=4 514 B14R0.392 CCCC/C=C\CCOCCCCCC 34a_200016286491_100000210314 [2,0,0,0,0,0|1,0,1]=4 515 B14R0.392 CCCC/C=C\CCOCCCCCC 7a_200016286491_100000210314 [2,0,0,0,0,0|1,0,1]=4 516 B14R0.392 CCCC/C=C\CCOCCCCCO 34a_200016286491_100000746330 [2,0,0,0,0,0|1,0,1]=4 517 B14R0.392 CCCC/C=C\CCOCCCCCO 7a_200016286491_100000746330 [2,0,0,0,0,0|1,0,1]=4 518 B14R0.392 CCCCCCCC/C=C/COCCC 34a_200020667288_100000210303 [2,0,0,0,0,0|1,0,1]=4 519 B14R0.392 CCCCCCCC/C=C/COCCC 7a_200020667288_100000210303 [2,0,0,0,0,0|1,0,1]=4 520 B14R0.392 CCCCCCCCC/C=C/COCC 34a_100015232335_100000210202 [2,0,0,0,0,0|1,0,1]=4 521 B14R0.392 CCCCCCCCC/C=C/COCC 7a_100015232335_100000210202 [2,0,0,0,0,0|1,0,1]=4 522 B14R0.392 CCCCCCCCC=CC=NNCC 4a_100000756455_200015245481 [2,0,0,0,0,0|2,0,0]=4 523 B14R0.392 CCCCCCCCCC/C=C/COC 34a_200025761149_200000210301 [2,0,0,0,0,0|1,0,1]=4 524 B14R0.392 CCCCCCCCCC/C=C/COC 7a_200025761149_200000210301 [2,0,0,0,0,0|1,0,1]=4 525 B14R0.392 CCCCCCCCCC/C=C/CO[13CH3] 34a_200025761149_200025704644 [2,0,0,0,0,0|1,0,1]=4 526 B14R0.392 CCCCCCCCCC/C=C/CO[13CH3] 7a_200025761149_200025704644 [2,0,0,0,0,0|1,0,1]=4 527 B14R0.392 CCCCCCCCCC=NNCCC 4a_100000740057_100000210895 [2,0,0,0,0,0|2,0,0]=4 528 B14R0.392 CCCCNCCCCCCCCCO 2230a_100000078944_100000210211 [2,0,0,0,0,0|1,0,1]=4 529 B14R0.392 CCCCNCCCCCCCCCO 2230a_100000102301_100009813782 [2,0,0,0,0,0|1,0,1]=4 530 B14R0.392 CCCCNCCCCCCCCCO 34a_100000078944_100000210210 [2,0,0,0,0,0|1,0,1]=4 531 B14R0.392 CCCCNCCCCCCCCCO 7a_106832991798_100009813782 [2,0,0,0,0,0|1,0,1]=4 532 B14R0.392 CCCCOCCCCCCCCCO 34a_100000210227_100009813782 [2,0,0,0,0,0|1,0,1]=4 533 B14R0.392 CCCCOCCCCCCCCCO 7a_100000210227_100009813782 [2,0,0,0,0,0|1,0,1]=4 534 B14R0.392 CCCCSCCCCCCCCCO 62a_100000210211_100009813782 [2,0,0,0,0,0|1,0,1]=4 535 B14R0.392 CCCCSCCCCCCCCCO 62a_100009813782_100000210210 [2,0,0,0,0,0|1,0,1]=4 536 B14R0.392 CCCNCCCCCCCCCCO 2230a_100000066964_100000210303 [2,0,0,0,0,0|1,0,1]=4 537 B14R0.392 CCCNCCCCCCCCCCO 34a_100000066964_100000210303 [2,0,0,0,0,0|1,0,1]=4 538 B14R0.392 CCCOCCCCCCCCCCO 34a_100000210258_100009813290 [2,0,0,0,0,0|1,0,1]=4 539 B14R0.392 CCCSCCCCCCCCCCO 62a_100000210303_200000033068 [2,0,0,0,0,0|1,0,1]=4 540 B14R0.392 CCCSCCCCCCCCCCO 62a_100009813290_100000210303 [2,0,0,0,0,0|1,0,1]=4 541 B16R0.61 CCCC(=O)CCCCCCCCCCCO 1458a_100000211992_100009812471 [1,1,0,0,0,0|0,0,2]=4 542 B16R0.61 CCCC(=O)CNCCCCCCCCCO 2230a_100000078944_100000747444 [1,1,0,0,0,0|1,0,1]=4 543 B16R0.61 CCCC(=O)CSCCCCCCCCCO 62a_100000747444_100009813782 [1,1,0,0,0,0|1,0,1]=4 544 B16R0.61 CCCC(=O)CSCCCCCCCCCO 62a_100009813782_100000747444 [1,1,0,0,0,0|1,0,1]=4 545 B16R0.61 CCCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000211992 [1,1,0,0,0,0|1,0,1]=4 546 B16R0.61 CCCCCCCCCC=NNC(=O)CCC 4a_100000189770_100000210895 [1,1,0,0,0,0|2,0,0]=4 547 B16R0.61 CCCCCCCCCCC=CC(=O)NCC 11a_100015525214_100015291182 [1,1,0,0,0,0|1,0,1]=4 548 B16R0.61 CCCCCCCCCCC=CC(=O)NCC 240690a_100015525214_100015291182 [1,1,0,0,0,0|1,0,1]=4 549 B16R0.61 CCOC(=O)/C=C/CNCCCCCCCO 2230a_100011996573_100016267167 [1,1,0,0,0,0|2,0,0]=4 550 B16R0.61 CCOC(=O)/C=C/CNCCCCCCCO 34a_100011996573_100016267167 [1,1,0,0,0,0|2,0,0]=4 551 B16R0.61 CCOC(=O)/C=C/CSCCCCCCCO 62a_100000760002_100016267167 [1,1,0,0,0,0|2,0,0]=4 552 B16R0.61 CCOC(=O)/C=C/CSCCCCCCCO 62a_100016267167_100000760002 [1,1,0,0,0,0|2,0,0]=4 553 B16R0.68 C/C=C/C=CC(=O)CCCCCCCCCO 1458a_100000185730_100009813782 [1,1,0,0,0,0|0,0,1]=3 554 B16R0.68 C/C=C/C=CC(=O)NCCCCCCCCO 240690a_102515433106_100000185730 [1,1,0,0,0,0|1,0,1]=4 555 B16R0.68 CC/C=C/CC(=O)CCCCCCCCCO 1458a_100016274230_100009813782 [1,1,0,0,0,0|0,0,1]=3 556 B16R0.68 CC/C=C/CC(=O)NCCCCCCCCO 240690a_102515433106_100016274230 [1,1,0,0,0,0|1,0,1]=4 557 B16R0.68 CCC/C=C/C=C/COCC(=O)CCCCC 34a_100016294078_200012276598 [1,1,0,0,0,0|1,0,1]=4 558 B16R0.68 CCCC#CC(=O)CCCCCCCCCO 1458a_200011218047_100009813782 [1,1,0,0,0,0|0,0,2]=4 559 B16R0.68 CCCC=CC(=O)CCCCCCCCCO 1458a_100000212230_100009813782 [1,1,0,0,0,0|0,0,0]=2 560 B16R0.68 CCCC=CC(=O)NCCCCCCCCC 11a_100000212291_100000212230 [1,1,0,0,0,0|1,0,0]=3 561 B16R0.68 CCCC=CC(=O)NCCCCCCCCC 1626a_100000212291_100000212230 [1,1,0,0,0,0|1,0,0]=3 562 B16R0.68 CCCC=CC(=O)NCCCCCCCCC 240690a_100000212291_100000212230 [1,1,0,0,0,0|1,0,0]=3 563 B16R0.68 CCCC=CC(=O)NCCCCCCCCO 240690a_102515433106_100000212230 [1,1,0,0,0,0|1,0,0]=3 564 B16R0.68 CCCCCC(=O)CCCCCCCCCO 1458a_100000212188_100009813782 [1,1,0,0,0,0|0,0,2]=4 565 B16R0.68 CCCCCCCCCCC(=O)C=CCOC 1458a_100016285016_100000210319 [1,1,0,0,0,0|1,0,1]=4 566 B16R0.68 CCCCCCCCCCC(=O)C=COCC 1458a_100016266692_100000210319 [1,1,0,0,0,0|1,0,1]=4 567 B16R0.68 CCCCCCCCCNC(=O)C=CCOC 11a_100000212291_100016285016 [1,1,0,0,0,0|2,0,0]=4 568 B16R0.68 CCCCCCCCCNC(=O)C=CCOC 1626a_100000212291_100016285016 [1,1,0,0,0,0|2,0,0]=4 569 B16R0.68 CCCCCCCCCNC(=O)C=CCOC 240690a_100000212291_100016285016 [1,1,0,0,0,0|2,0,0]=4 570 B16R0.68 CCCCCCCCCNC(=O)C=COCC 11a_100000212291_100016266692 [1,1,0,0,0,0|2,0,0]=4 571 B16R0.68 CCCCCCCCCNC(=O)C=COCC 1626a_100000212291_100016266692 [1,1,0,0,0,0|2,0,0]=4 572 B16R0.68 CCCCCCCCCNC(=O)C=COCC 240690a_100000212291_100016266692 [1,1,0,0,0,0|2,0,0]=4 573 B16R0.68 CCCCNC(=O)CCCCCCCCCO 240690a_100000102301_100000032657 [1,1,0,0,0,0|1,0,1]=4 574 B16R0.68 CCCNNC(=O)CCCCCCCCCO 22a_100000740057_100000032657 [1,1,0,0,0,0|2,0,0]=4 575 B16R0.68 CCCOCC(=O)CCCCCCCCCO 1458a_100000745993_100009813782 [1,1,0,0,0,0|1,0,1]=4 576 B16R0.68 CCCSCC(=O)CCCCCCCCCO 1458a_100000217233_100009813782 [1,1,0,0,0,0|1,0,1]=4 577 B16R0.68 CCOC=CC(=O)CCCCCCCCCO 1458a_100016266692_100009813782 [1,1,0,0,0,0|1,0,0]=3 578 B16R0.68 CCOC=CC(=O)NCCCCCCCCO 240690a_102515433106_100016266692 [1,1,0,0,0,0|2,0,0]=4 579 B16R0.68 COCC=CC(=O)CCCCCCCCCO 1458a_100016285016_100009813782 [1,1,0,0,0,0|1,0,0]=3 580 B16R0.68 COCC=CC(=O)NCCCCCCCCO 240690a_102515433106_100016285016 [1,1,0,0,0,0|2,0,0]=4 581 B16R0.136 CCC/C=C/C=CC(=O)CCCCCCCO 1458a_200016258893_100000760002 [1,1,0,0,0,0|0,0,1]=3 582 B16R0.136 CCC/C=C/C=CC(=O)CCCCCCOC 1458a_200016258893_100011998445 [1,1,0,0,0,0|1,0,1]=4 583 B16R0.136 CCC/C=C/C=CC(=O)NCCCCCCC 11a_100000229938_200016258893 [1,1,0,0,0,0|1,0,1]=4 584 B16R0.136 CCC/C=C/C=CC(=O)NCCCCCCC 1626a_100000229938_200016258893 [1,1,0,0,0,0|1,0,1]=4 585 B16R0.136 CCC/C=C/C=CC(=O)NCCCCCCC 240690a_100000229938_200016258893 [1,1,0,0,0,0|1,0,1]=4 586 B16R0.136 CCC/C=C/C=CC(=O)NCCCCCCO 240690a_100000686447_200016258893 [1,1,0,0,0,0|1,0,1]=4 587 B16R0.136 CCCC/C=C/CC(=O)CCCCCCCO 1458a_200016282684_100000760002 [1,1,0,0,0,0|0,0,2]=4 588 B16R0.274 CCC/C=C/C=C/COCCCCCB(O)O 34a_100016294078_200009817188 [1,1,0,0,0,0|2,0,0]=4 589 B16R0.274 CCCC/C=C/CCCCOCCCC(C)O 34a_200020645093_200000718107 [1,1,0,0,0,0|1,0,1]=4 590 B16R0.274 CCCC/C=C/CCCCOCCCC(C)O 7a_200020645093_200000718107 [1,1,0,0,0,0|1,0,1]=4 591 B16R0.274 CCCCCCCCC/C=C/COCC(C)O 34a_100015232335_100011218427 [1,1,0,0,0,0|1,0,1]=4 592 B16R0.274 CCCCCCCCC/C=C/COCC(C)O 7a_100015232335_100011218427 [1,1,0,0,0,0|1,0,1]=4 593 B16R0.274 CCCCCCCCC/C=C/COC[C@@H](C)O 34a_100015232335_100009817552 [1,1,0,0,0,0|1,0,1]=4 594 B16R0.274 CCCCCCCCC/C=C/COC[C@@H](C)O 7a_100015232335_100009817552 [1,1,0,0,0,0|1,0,1]=4 595 B16R0.274 CCCCCCCCCC=CC=NNC(C)C 4a_100000741168_100016997280 [1,1,0,0,0,0|2,0,0]=4 596 B16R0.661 CCC=CC(=O)CCCCCCCCCCO 1458a_100000212282_100009813290 [1,1,0,0,0,0|0,0,1]=3 597 B16R0.661 CCC=CC(=O)NCCCCCCCCCC 11a_100000684558_100000212282 [1,1,0,0,0,0|2,0,0]=4 598 B16R0.661 CCC=CC(=O)NCCCCCCCCCC 1626a_100000684558_100000212282 [1,1,0,0,0,0|2,0,0]=4 599 B16R0.661 CCC=CC(=O)NCCCCCCCCCC 240690a_100000684558_100000212282 [1,1,0,0,0,0|2,0,0]=4 600 B16R0.661 CCC=CC(=O)NCCCCCCCCCO 240690a_100000078944_100000212282 [1,1,0,0,0,0|1,0,0]=3 601 B16R0.661 CCCCC(=O)CCCCCCCCCCO 1458a_100000210183_100009813290 [1,1,0,0,0,0|0,0,2]=4 602 B16R0.661 CCCCC(=O)NCCCCCCCCCO 240690a_100000078944_100000210183 [1,1,0,0,0,0|1,0,1]=4 603 B16R0.661 CCCCCCCCCC=CC(=O)CCCO 1458a_200015352897_100011215043 [1,1,0,0,0,0|1,0,1]=4 604 B16R0.661 CCCCCCCCCC=CC(=O)CCOC 1458a_200015352897_100000233755 [1,1,0,0,0,0|1,0,1]=4 605 B16R0.661 CCCCCCCCCC=CC(=O)NCCC 11a_100020643023_200015352897 [1,1,0,0,0,0|1,0,0]=3 606 B16R0.661 CCCCCCCCCC=CC(=O)NCCC 1626a_100020643023_200015352897 [1,1,0,0,0,0|1,0,0]=3 607 B16R0.661 CCCCCCCCCC=CC(=O)NCCC 240690a_100020643023_200015352897 [1,1,0,0,0,0|1,0,0]=3 608 B16R0.661 CCCCCCCCCC=CC(=O)NCCF 11a_100000724931_200015352897 [1,1,0,0,0,0|2,0,0]=4 609 B16R0.661 CCCCCCCCCC=CC(=O)NCCF 1626a_100000724931_200015352897 [1,1,0,0,0,0|2,0,0]=4 610 B16R0.661 CCCCCCCCCC=CC(=O)NCCF 240690a_100000724931_200015352897 [1,1,0,0,0,0|2,0,0]=4 611 B16R0.661 CCCCCCCCCC=CC(=O)NCCO 240690a_100000210304_200015352897 [1,1,0,0,0,0|2,0,0]=4 612 B16R0.661 CCCCCCCCCC=CC(=O)NNCC 22a_100000756455_200015352897 [1,1,0,0,0,0|2,0,0]=4 613 B16R0.661 CCCNC(=O)CCCCCCCCCCO 240690a_100020643023_200000016029 [1,1,0,0,0,0|1,0,1]=4 614 B16R0.661 CCCNC(=O)NCCCCCCCCCO 2708a_100000078944_100020643023 [1,1,0,0,0,0|2,0,0]=4 615 B16R0.661 CCCNC(=O)NCCCCCCCCCO 2708a_100020643023_100000078944 [1,1,0,0,0,0|2,0,0]=4 616 B16R0.661 CCCNC(=O)NCCCCCCCCCO 273464a_100000078944_100020643023 [1,1,0,0,0,0|2,0,0]=4 617 B16R0.661 CCCNC(=O)NCCCCCCCCCO 273464a_100020643023_100000078944 [1,1,0,0,0,0|2,0,0]=4 618 B16R0.661 CCCNC(=O)NCCCCCCCCCO 512a_100000078944_100020643023 [1,1,0,0,0,0|2,0,0]=4 619 B16R0.661 CCCNC(=O)NCCCCCCCCCO 512a_100020643023_100000078944 [1,1,0,0,0,0|2,0,0]=4 620 B16R0.661 COC=CC(=O)CCCCCCCCCCO 1458a_100016268678_100009813290 [1,1,0,0,0,0|1,0,1]=4 621 B16R0.661 COC=CC(=O)NCCCCCCCCCO 240690a_100000078944_100016268678 [1,1,0,0,0,0|2,0,0]=4 622 B16R0.6603 CCC/C=C/CC(=O)CCCCCCCCO 1458a_200016266809_100000033203 [1,1,0,0,0,0|0,0,1]=3 623 B16R0.6603 CCC/C=C/CC(=O)NCCCCCCCC 11a_100000229939_200016266809 [1,1,0,0,0,0|1,0,1]=4 624 B16R0.6603 CCC/C=C/CC(=O)NCCCCCCCC 1626a_100000229939_200016266809 [1,1,0,0,0,0|1,0,1]=4 625 B16R0.6603 CCC/C=C/CC(=O)NCCCCCCCC 240690a_100000229939_200016266809 [1,1,0,0,0,0|1,0,1]=4 626 B16R0.6603 CCC/C=C/CC(=O)NCCCCCCCC 527a_100000229939_200016266809 [1,1,0,0,0,0|1,0,1]=4 627 B16R0.6603 CCC/C=C/CC(=O)NCCCCCCCO 240690a_100011996573_200016266809 [1,1,0,0,0,0|1,0,1]=4 628 B16R0.6603 CCCC=NNC(=O)CCCCCCCCC 4a_100011221126_100000185831 [1,1,0,0,0,0|2,0,0]=4 629 B16R0.6603 CCCCC=CC(=O)CCCCCCCCO 1458a_100016266645_100000033203 [1,1,0,0,0,0|0,0,1]=3 630 B16R0.6603 CCCCC=CC(=O)NCCCCCCCC 11a_100000229939_100016266645 [1,1,0,0,0,0|1,0,1]=4 631 B16R0.6603 CCCCC=CC(=O)NCCCCCCCC 1626a_100000229939_100016266645 [1,1,0,0,0,0|1,0,1]=4 632 B16R0.6603 CCCCC=CC(=O)NCCCCCCCC 240690a_100000229939_100016266645 [1,1,0,0,0,0|1,0,1]=4 633 B16R0.6603 CCCCC=CC(=O)NCCCCCCCO 240690a_100011996573_100016266645 [1,1,0,0,0,0|1,0,1]=4 634 B18R0.171 CCC/C=C/C=C/COCCCCCCC(=O)OC 34a_100016294078_100009815986 [0,2,0,0,0,0|1,0,1]=4 635 B18R0.171 CCCC/C=C\CCCCCCCCOC(C)CO 34a_100020587526_100012180447 [0,2,0,0,0,0|0,0,2]=4 636 B18R0.171 CCCC/C=C\CCCCCCCCOC(C)CO 7a_100020587526_100012180447 [0,2,0,0,0,0|0,0,2]=4 637 B18R0.176 CCCC/C=C\CCCCCCCCOCC(C)O 34a_100020587526_100011218427 [0,2,0,0,0,0|0,0,2]=4 638 B18R0.176 CCCC/C=C\CCCCCCCCOCC(C)O 7a_100020587526_100011218427 [0,2,0,0,0,0|0,0,2]=4 639 B18R0.176 CCCC/C=C\CCCCCCCCOC[C@@H](C)O 34a_100020587526_100009817552 [0,2,0,0,0,0|0,0,2]=4 640 B18R0.176 CCCC/C=C\CCCCCCCCOC[C@@H](C)O 7a_100020587526_100009817552 [0,2,0,0,0,0|0,0,2]=4 641 B18R0.176 CCCCCCCCCCC=CC=NNCC(C)O 4a_200000730056_200016997505 [0,2,0,0,0,0|2,0,0]=4 642 B18R0.233 CN(C)CC=CC(=O)CCCCCCCCCCO 1458a_100000754359_100009813290 [0,2,0,0,0,0|1,0,1]=4 643 B18R0.233 CN(C)CC=CC(=O)NCCCCCCCCCO 240690a_100000078944_100000754359 [0,2,0,0,0,0|2,0,0]=4 644 B18R0.19183 CCCCCCCCCCC=CC(=O)NCC(C)C 11a_100000210953_100015291182 [0,2,0,0,0,0|2,0,0]=4 645 B18R0.19183 CCCCCCCCCCC=CC(=O)NCC(C)C 1626a_100000210953_100015291182 [0,2,0,0,0,0|2,0,0]=4 646 B18R0.19183 CCCCCCCCCCC=CC(=O)NCC(C)C 240690a_100000210953_100015291182 [0,2,0,0,0,0|2,0,0]=4 647 B18R0.19183 CCCCCCCCCCC=CC(=O)NCC(C)O 11a_100000210904_100015291182 [0,2,0,0,0,0|2,0,0]=4 648 B18R0.19183 CCCCCCCCCCC=CC(=O)NCC(C)O 240690a_100000210904_100015291182 [0,2,0,0,0,0|2,0,0]=4 649 B18R0.11621 CCCCC/C=C/CC(=O)CCCCCCCCO 1458a_100020675968_100000033203 [0,2,0,0,0,0|0,0,2]=4 650 B18R0.11621 CCCCC/C=C/CCC(=O)CCCCCCCO 1458a_200015255902_100000760002 [0,2,0,0,0,0|0,0,2]=4 651 B18R0.110 CCOC(=O)/C=C/CNCCCCCCCCCO 2230a_100000078944_100016267167 [0,2,0,0,0,0|1,0,1]=4 652 B18R0.110 CCOC(=O)/C=C/CNCCCCCCCCCO 34a_100000078944_100016267167 [0,2,0,0,0,0|1,0,1]=4 653 B18R0.110 CCOC(=O)/C=C/CSCCCCCCCCCO 62a_100009813782_100016267167 [0,2,0,0,0,0|1,0,1]=4 654 B18R0.110 CCOC(=O)/C=C/CSCCCCCCCCCO 62a_100016267167_100009813782 [0,2,0,0,0,0|1,0,1]=4 655 B18R0.221 CC/C=C/C/C=C/CCOCCCCCCCCO 34a_200016273837_100000033203 [0,2,0,0,0,0|0,0,2]=4 656 B18R0.221 CC/C=C/C/C=C/CCOCCCCCCCCO 7a_200016273837_100000033203 [0,2,0,0,0,0|0,0,2]=4 657 B18R0.221 CC/C=C/CC/C=C/COCCCCCCCCO 34a_100016264143_100000033203 [0,2,0,0,0,0|0,0,2]=4 658 B18R0.221 CC/C=C/CC/C=C/COCCCCCCCCO 7a_100016264143_100000033203 [0,2,0,0,0,0|0,0,2]=4 659 B18R0.221 CCC/C=C/C=C/COCCCCCCCCCO 34a_100016294078_100009813782 [0,2,0,0,0,0|0,0,0]=2 660 B18R0.221 CCC/C=C/C=C/COCCOCCOCCOC 34a_100016294078_100013367474 [0,2,0,0,0,0|2,0,0]=4 661 B18R0.221 CCCCC/C=C/C=C/COCCCCCCCO 34a_200014065772_100000760002 [0,2,0,0,0,0|1,0,0]=3 662 B18R0.221 CCCCC/C=C/C=C/COCCCCCCCO 7a_200014065772_100000760002 [0,2,0,0,0,0|1,0,0]=3 663 B18R0.7792 CCC/C=C/CC(=O)CCCCCCCCCCO 1458a_200016266809_100009813290 [0,2,0,0,0,0|0,0,1]=3 664 B18R0.7792 CCC/C=C/CC(=O)NCCCCCCCCCC 11a_100000684558_200016266809 [0,2,0,0,0,0|1,0,1]=4 665 B18R0.7792 CCC/C=C/CC(=O)NCCCCCCCCCC 1626a_100000684558_200016266809 [0,2,0,0,0,0|1,0,1]=4 666 B18R0.7792 CCC/C=C/CC(=O)NCCCCCCCCCC 240690a_100000684558_200016266809 [0,2,0,0,0,0|1,0,1]=4 667 B18R0.7792 CCC/C=C/CC(=O)NCCCCCCCCCC 527a_100000684558_200016266809 [0,2,0,0,0,0|1,0,1]=4 668 B18R0.7792 CCC/C=C/CC(=O)NCCCCCCCCCO 240690a_100000078944_200016266809 [0,2,0,0,0,0|0,0,1]=3 669 B18R0.7792 CCCCC=CC(=O)CCCCCCCCCCO 1458a_100016266645_100009813290 [0,2,0,0,0,0|0,0,1]=3 670 B18R0.7792 CCCCC=CC(=O)NCCCCCCCCCC 11a_100000684558_100016266645 [0,2,0,0,0,0|1,0,1]=4 671 B18R0.7792 CCCCC=CC(=O)NCCCCCCCCCC 1626a_100000684558_100016266645 [0,2,0,0,0,0|1,0,1]=4 672 B18R0.7792 CCCCC=CC(=O)NCCCCCCCCCC 240690a_100000684558_100016266645 [0,2,0,0,0,0|1,0,1]=4 673 B18R0.7792 CCCCC=CC(=O)NCCCCCCCCCO 240690a_100000078944_100016266645 [0,2,0,0,0,0|0,0,1]=3 674 B18R0.17438 CCC/C=C/C=CC(=O)CCCCCCCCCO 1458a_200016258893_100009813782 [0,2,0,0,0,0|0,0,0]=2 675 B18R0.17438 CCC/C=C/C=CC(=O)NCCCCCCCCC 11a_100000212291_200016258893 [0,2,0,0,0,0|1,0,1]=4 676 B18R0.17438 CCC/C=C/C=CC(=O)NCCCCCCCCC 1626a_100000212291_200016258893 [0,2,0,0,0,0|1,0,1]=4 677 B18R0.17438 CCC/C=C/C=CC(=O)NCCCCCCCCC 240690a_100000212291_200016258893 [0,2,0,0,0,0|1,0,1]=4 678 B18R0.17438 CCC/C=C/C=CC(=O)NCCCCCCCCO 240690a_102515433106_200016258893 [0,2,0,0,0,0|0,0,1]=3 679 B18R0.17438 CCCC/C=C/CC(=O)CCCCCCCCCO 1458a_200016282684_100009813782 [0,2,0,0,0,0|0,0,1]=3 680 B18R0.17438 CCCC/C=C/CC(=O)NCCCCCCCCO 240690a_102515433106_200016282684 [0,2,0,0,0,0|1,0,1]=4 681 B18R0.17438 CCCCCC=CC(=O)CCCCCCCCCO 1458a_100016263427_100009813782 [0,2,0,0,0,0|0,0,1]=3 682 B18R0.17438 CCCCCC=CC(=O)NCCCCCCCCO 240690a_102515433106_100016263427 [0,2,0,0,0,0|1,0,1]=4 683 B18R0.19788 C=CCCCCCCCCCNC(=O)C=CCCC 11a_100000081888_100000212230 [0,2,0,0,0,0|2,0,0]=4 684 B18R0.19788 C=CCCCCCCCCCNC(=O)C=CCCC 1626a_100000081888_100000212230 [0,2,0,0,0,0|2,0,0]=4 685 B18R0.19788 C=CCCCCCCCCCNC(=O)C=CCCC 240690a_100000081888_100000212230 [0,2,0,0,0,0|2,0,0]=4 686 B18R0.19788 CCCC=CC(=O)CCCCCCCCCCCO 1458a_100000212230_100009812471 [0,2,0,0,0,0|0,0,1]=3 687 B18R0.19788 CCCC=CC(=O)NCCCCCCCCCCC 11a_200011215754_100000212230 [0,2,0,0,0,0|1,0,1]=4 688 B18R0.19788 CCCC=CC(=O)NCCCCCCCCCCC 1626a_200011215754_100000212230 [0,2,0,0,0,0|1,0,1]=4 689 B18R0.19788 CCCC=CC(=O)NCCCCCCCCCCC 240690a_200011215754_100000212230 [0,2,0,0,0,0|1,0,1]=4 690 B18R0.19788 CCCC=CC(=O)NCCCCCCCCCCO 240690a_100000066964_100000212230 [0,2,0,0,0,0|0,0,1]=3 691 B18R0.19788 CCCCCCCCCCC=CC(=O)NCCCC 11a_100000102301_100015291182 [0,2,0,0,0,0|1,0,1]=4 692 B18R0.19788 CCCCCCCCCCC=CC(=O)NCCCC 1626a_100000102301_100015291182 [0,2,0,0,0,0|1,0,1]=4 693 B18R0.19788 CCCCCCCCCCC=CC(=O)NCCCC 240690a_100000102301_100015291182 [0,2,0,0,0,0|1,0,1]=4 694 B18R0.19788 CCCCCCCCCCC=CC(=O)NCCCF 11a_100015189416_100015291182 [0,2,0,0,0,0|2,0,0]=4 695 B18R0.19788 CCCCCCCCCCC=CC(=O)NCCCF 1626a_100015189416_100015291182 [0,2,0,0,0,0|2,0,0]=4 696 B18R0.19788 CCCCCCCCCCC=CC(=O)NCCCF 240690a_100015189416_100015291182 [0,2,0,0,0,0|2,0,0]=4 697 B18R0.19788 CCCCCCCCCCC=CC(=O)NCCCO 240690a_100000182051_100015291182 [0,2,0,0,0,0|2,0,0]=4 698 B18R0.19788 CCCCCCCCCCC=CC(=O)NCCOC 1626a_100000209980_100015291182 [0,2,0,0,0,0|2,0,0]=4 699 B18R0.19788 CCCCCCCCCCC=CC(=O)NCCOC 240690a_100000209980_100015291182 [0,2,0,0,0,0|2,0,0]=4 700 B18R0.19788 CCCCCCCCCCC=CC(=O)NCCSC 11a_100020590264_100015291182 [0,2,0,0,0,0|2,0,0]=4 701 B18R0.19788 CCCCCCCCCCC=CC(=O)NCCSC 1626a_100020590264_100015291182 [0,2,0,0,0,0|2,0,0]=4 702 B18R0.19788 CCCCCCCCCCC=CC(=O)NCCSC 240690a_100020590264_100015291182 [0,2,0,0,0,0|2,0,0]=4 703 B18R0.19788 CCCCCCCCCCC=CC(=O)NNCCC 22a_100000740057_100015291182 [0,2,0,0,0,0|2,0,0]=4 704 B18R0.19788 CCOC=CC(=O)CCCCCCCCCCCO 1458a_100016266692_100009812471 [0,2,0,0,0,0|1,0,1]=4 705 B18R0.19788 CCOC=CC(=O)NCCCCCCCCCCO 240690a_100000066964_100016266692 [0,2,0,0,0,0|1,0,1]=4 706 B18R0.19788 COCC=CC(=O)CCCCCCCCCCCO 1458a_100016285016_100009812471 [0,2,0,0,0,0|1,0,1]=4 707 B18R0.19788 COCC=CC(=O)NCCCCCCCCCCO 240690a_100000066964_100016285016 [0,2,0,0,0,0|1,0,1]=4 708 B18R0.175 CCCCCCCCCCC=CC(=O)NC(C)CC 11a_100000209981_100015291182 [0,2,0,0,0,0|2,0,0]=4 709 B18R0.175 CCCCCCCCCCC=CC(=O)NC(C)CC 1626a_100000209981_100015291182 [0,2,0,0,0,0|2,0,0]=4 710 B18R0.175 CCCCCCCCCCC=CC(=O)NC(C)CC 240690a_100000209981_100015291182 [0,2,0,0,0,0|2,0,0]=4 711 B18R0.172 CCC/C=C(\CC)/CNCCCCCCCCCO 269862a_100000078944_100020616858 [0,2,0,0,0,0|1,0,1]=4 712 B18R0.172 CCC/C=C(\CC)/COCCCCCCCCCO 34a_200015372368_100009813782 [0,2,0,0,0,0|1,0,1]=4 713 B18R0.172 CCC/C=C(\CC)/COCCCCCCCCCO 7a_200015372368_100009813782 [0,2,0,0,0,0|1,0,1]=4 714 B18R0.177 CCCCCCCCCCC=CC(=O)N(C)CCC 11a_100000747261_100015291182 [0,2,0,0,0,0|2,0,0]=4 715 B18R0.177 CCCCCCCCCCC=CC(=O)N(C)CCC 1626a_100000747261_100015291182 [0,2,0,0,0,0|2,0,0]=4 716 B18R0.177 CCCCCCCCCCC=CC(=O)N(C)CCC 240690a_100000747261_100015291182 [0,2,0,0,0,0|2,0,0]=4 717 B18R0.7796 CCC/C=C(\C)/C(=O)CCCCCCCCCCO 1458a_200020648666_100009813290 [0,2,0,0,0,0|0,0,1]=3 718 B18R0.7796 CCC/C=C(\C)/C(=O)NCCCCCCCCCC 11a_100000684558_200020648666 [0,2,0,0,0,0|2,0,0]=4 719 B18R0.7796 CCC/C=C(\C)/C(=O)NCCCCCCCCCC 1626a_100000684558_200020648666 [0,2,0,0,0,0|2,0,0]=4 720 B18R0.7796 CCC/C=C(\C)/C(=O)NCCCCCCCCCC 240690a_100000684558_200020648666 [0,2,0,0,0,0|2,0,0]=4 721 B18R0.7796 CCC/C=C(\C)/C(=O)NCCCCCCCCCO 240690a_100000078944_200020648666 [0,2,0,0,0,0|1,0,0]=3 722 B18R0.7796 CCCNC(=O)C(=O)CCCCCCCCCCO 1458a_200011297150_100009813290 [0,2,0,0,0,0|1,0,1]=4 723 B18R0.7796 CCCNC(=O)C(=O)NCCCCCCCCCO 240690a_100000078944_200011297150 [0,2,0,0,0,0|2,0,0]=4 724 B18R0.45 C=C(CCC)CC(=O)CCCCCCCCCCO 1458a_100000138376_100009813290 [0,2,0,0,0,0|0,0,2]=4 725 B18R0.45 C=C(CCC)CC(=O)NCCCCCCCCCO 240690a_100000078944_100000138376 [0,2,0,0,0,0|1,0,1]=4 726 B18R0.45 CCCC(=CC(=O)CCCCCCCCCCO)C 1458a_100020676950_100009813290 [0,2,0,0,0,0|0,0,1]=3 727 B18R0.45 CCCC(=CC(=O)NCCCCCCCCCO)C 240690a_100000078944_100020676950 [0,2,0,0,0,0|1,0,0]=3 728 B18R0.45 CCCCCCCCCCNC(=O)C=C(C)CCC 11a_100000684558_100020676950 [0,2,0,0,0,0|2,0,0]=4 729 B18R0.45 CCCCCCCCCCNC(=O)C=C(C)CCC 1626a_100000684558_100020676950 [0,2,0,0,0,0|2,0,0]=4 730 B18R0.45 CCCCCCCCCCNC(=O)C=C(C)CCC 240690a_100000684558_100020676950 [0,2,0,0,0,0|2,0,0]=4 731 B18R0.19210 CCCC(=O)NNC(=O)CCCCCCCCCO 22a_100000189770_100000032657 [0,2,0,0,0,0|2,0,0]=4 732 B18R0.19210 CCCCCCCCCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000210319 [0,2,0,0,0,0|2,0,0]=4 733 B18R0.19210 CCOC(=O)C=CC(=O)CCCCCCCCCO 1458a_100000210415_100009813782 [0,2,0,0,0,0|1,0,0]=3 734 B18R0.19210 CCOC(=O)C=CC(=O)NCCCCCCCCO 240690a_102515433106_100000210415 [0,2,0,0,0,0|2,0,0]=4 735 B18R0.11006 CCCC=CC(=O)N(C)CCCCCCCCCC 11a_100000207566_100000212230 [0,2,0,0,0,0|2,0,0]=4 736 B18R0.11006 CCCC=CC(=O)N(C)CCCCCCCCCC 1626a_100000207566_100000212230 [0,2,0,0,0,0|2,0,0]=4 737 B18R0.11006 CCCC=CC(=O)N(C)CCCCCCCCCC 240690a_100000207566_100000212230 [0,2,0,0,0,0|2,0,0]=4 738 B16R1.643 CCC/C=C/C=C/COCC1CCCCC1 34a_100016294078_100000211423 [1,0,0,1,0,0|1,0,0]=3 739 B16R1.643 CCC/C=C/C=C/COCC1CCCCO1 34a_100016294078_100000211543 [1,0,0,1,0,0|1,0,0]=3 740 B16R1.643 CCC/C=C/C=C/COCC1CCCOC1 34a_100016294078_100000741521 [1,0,0,1,0,0|2,0,0]=4 741 B16R1.643 CCC/C=C/C=C/COCC1CCOCC1 34a_100016294078_100000754603 [1,0,0,1,0,0|2,0,0]=4 742 B16R1.643 CCC/C=C/COCCCC1CCCCC1 34a_100016278788_100011713725 [1,0,0,1,0,0|1,0,1]=4 743 B16R1.643 CCC/C=C/COCCCC1CCCCC1 7a_100016278788_100011713725 [1,0,0,1,0,0|1,0,1]=4 744 B16R1.643 CCCC/C=C\CCOCC1CCCCO1 34a_200016286491_100000211543 [1,0,0,1,0,0|1,0,1]=4 745 B16R1.643 CCCC/C=C\CCOCC1CCCCO1 7a_200016286491_100000211543 [1,0,0,1,0,0|1,0,1]=4 746 B16R1.643 CCCCCCCCCNC1C=CCCC1 2230a_100000212291_100000751183 [1,0,0,1,0,0|1,0,1]=4 747 B16R1.643 CCCCCCCCCOC1C=CCCC1 34a_100011215024_100011214924 [1,0,0,1,0,0|1,0,1]=4 748 B16R1.643 CCCCCCCCCOC1C=CCCC1 7a_100000210712_100000751183 [1,0,0,1,0,0|1,0,1]=4 749 B16R1.643 OCCCCCCCCCN1CC=CCC1 2230a_100000698166_100009813782 [1,0,0,1,0,0|1,0,1]=4 750 B16R1.643 OCCCCCCCCCN1CC=CCC1 269982a_100000698166_100009813782 [1,0,0,1,0,0|1,0,1]=4 751 B16R1.643 OCCCCCCCCCN1CC=CCC1 34a_100000698166_100009813782 [1,0,0,1,0,0|1,0,1]=4 752 B16R1.643 OCCCCCCCCNC1C=CCCC1 2230a_102515433106_100000751183 [1,0,0,1,0,0|1,0,1]=4 753 B16R1.643 OCCCCCCCCOC1C=CCCC1 34a_100011215024_100000033203 [1,0,0,1,0,0|1,0,1]=4 754 B16R1.643 OCCCCCCCCSC1C=CCCC1 62a_100000033203_100000751183 [1,0,0,1,0,0|1,0,1]=4 755 B16R1.643 OCCCCCCCCSC1C=CCCC1 62a_100000751183_100000033203 [1,0,0,1,0,0|1,0,1]=4 756 B16R1.643 OCCCCCCNCCC1=CCCCC1 2230a_100000212019_100000766143 [1,0,0,1,0,0|1,0,1]=4 757 B16R1.643 OCCCCCCNCCC1=CCCCC1 34a_100000212019_100000766143 [1,0,0,1,0,0|1,0,1]=4 758 B16R1.1193 CCC/C=C/C=C/COCCC1CCCC1 34a_100016294078_100000760354 [1,0,0,1,0,0|1,0,0]=3 759 B16R1.1193 CCC/C=C/C=C/COCCC1OCCO1 34a_100016294078_100000740749 [1,0,0,1,0,0|2,0,0]=4 760 B16R1.1218 CC1CC=CCC1CNCCCCCCO 269862a_100000686447_100000117039 [1,0,0,1,0,0|1,0,1]=4 761 B16R1.1218 CC1CC=CCC1CNCCCCCCO 270004a_100000686447_100000117039 [1,0,0,1,0,0|1,0,1]=4 762 B16R1.1218 CC1CC=CCC1COCCCCCCO 34a_100000211322_100000766143 [1,0,0,1,0,0|1,0,1]=4 763 B16R1.1218 CCC/C=C/C=C/COC1CCCCC1F 34a_100016294078_100015423560 [1,0,0,1,0,0|2,0,0]=4 764 B16R1.1218 CCC/C=C/C=C/COC1CCCCC1O 34a_100016294078_100000038908 [1,0,0,1,0,0|1,0,0]=3 765 B16R1.1218 CCCC/C=C\CCOC1CCCCC1O 34a_200016286491_100000038908 [1,0,0,1,0,0|1,0,1]=4 766 B16R1.1219 CCC1C=CCN1CCCCCCCCO 2230a_100000730860_100000033203 [1,0,0,1,0,0|1,0,1]=4 767 B16R1.1219 CCC1C=CCN1CCCCCCCCO 269982a_100000730860_100000033203 [1,0,0,1,0,0|1,0,1]=4 768 B16R1.1219 CCC1C=CCN1CCCCCCCCO 34a_100000730860_100000033203 [1,0,0,1,0,0|1,0,1]=4 769 B16R1.1219 CCCCCCCCCN1CC=CC1CC 2230a_100000730860_100011214924 [1,0,0,1,0,0|1,0,1]=4 770 B16R1.1219 CCCCCCCCCN1CC=CC1CC 269982a_100000730860_100000210670 [1,0,0,1,0,0|1,0,1]=4 771 B16R1.1219 CCCCCCCCCN1CC=CC1CC 34a_100000730860_100011214924 [1,0,0,1,0,0|1,0,1]=4 772 B16R1.1219 CCCCCCCNCc1cccn1CC 2230a_103496549365_100000210681 [1,0,0,1,0,0|2,0,0]=4 773 B16R1.1219 CCCCCCCNCc1cccn1CC 270004a_100000229938_100011302050 [1,0,0,1,0,0|2,0,0]=4 774 B16R1.1219 CCCCCCCNCc1cccn1CC 34a_103496549365_100000210614 [1,0,0,1,0,0|2,0,0]=4 775 B16R1.1219 CCn1cccc1CNCCCCCCO 2230a_103496549365_100000766143 [1,0,0,1,0,0|2,0,0]=4 776 B16R1.1219 CCn1cccc1CNCCCCCCO 270004a_100000686447_100011302050 [1,0,0,1,0,0|2,0,0]=4 777 B16R1.1219 CCn1cccc1CNCCCCCCO 34a_103496549365_100000766143 [1,0,0,1,0,0|2,0,0]=4 778 B16R1.3891 CCCC/C=C/CCCCOCC1CCO1 34a_200020645093_100000103362 [1,0,0,1,0,0|1,0,1]=4 779 B16R1.3891 CCCC/C=C/CCCCOCC1CCO1 7a_200020645093_100000103362 [1,0,0,1,0,0|1,0,1]=4 780 B16R1.6680 Cn1cccc1CCNCCCCCCO 2230a_100011251756_100000766143 [1,0,0,1,0,0|2,0,0]=4 781 B16R1.6680 Cn1cccc1CCNCCCCCCO 34a_100011251756_100000766143 [1,0,0,1,0,0|2,0,0]=4 782 B16R1.6680 Cn1cccc1CNCCCCCCCO 270004a_100011996573_100000211633 [1,0,0,1,0,0|2,0,0]=4 783 B16R1.6680 Cn1cccc1CNCCCCCCCO 34a_100011219357_100000760002 [1,0,0,1,0,0|2,0,0]=4 784 B16R1.8379 OCCCCCCNC1CC/C=C\CCC1 34a_100000686447_100021000466 [1,0,0,1,0,0|1,0,1]=4 785 B16R1.8379 OCCCCCCOC1CC/C=C\CCC1 34a_100016989180_100000766143 [1,0,0,1,0,0|1,0,1]=4 786 B16R1.8379 OCCCCCCSC1CC/C=C\CCC1 62a_100000766143_100021000466 [1,0,0,1,0,0|1,0,1]=4 787 B16R1.8379 OCCCCCCSC1CC/C=C\CCC1 62a_100021000466_100000766143 [1,0,0,1,0,0|1,0,1]=4 788 B16R1.8379 OCCCCCNCC1CC/C=C\CCC1 2230a_100102730862_100000746330 [1,0,0,1,0,0|1,0,1]=4 789 B16R1.8379 OCCCCCNCC1CC/C=C\CCC1 34a_100102730862_100000746330 [1,0,0,1,0,0|1,0,1]=4 790 B16R1.17455 CCCC/C=C/CCCCOCCC1CO1 34a_200020645093_100000732470 [1,0,0,1,0,0|1,0,1]=4 791 B16R1.17455 CCCC/C=C/CCCCOCCC1CO1 7a_200020645093_100000732470 [1,0,0,1,0,0|1,0,1]=4 792 B16R1.17455 CCCCCCCCC/C=C/COC1CC1 34a_100015232335_100000211595 [1,0,0,1,0,0|1,0,1]=4 793 B16R1.17539 CCC/C=C/C=C/COC1CCCCCC1 34a_100016294078_100011217769 [1,0,0,1,0,0|1,0,0]=3 794 B18R1.1108 CC1=CC(CCC1)OCCCCCCCCCO 34a_100011218613_100009813782 [0,1,0,1,0,0|1,0,1]=4 795 B18R1.13035 CCCCCCCCCCC=CC=NNC1CC1 4a_100000701032_200016997505 [0,1,0,1,0,0|2,0,0]=4 796 B18R1.292 CCC/C=C/C=C/COCCCCC1OCCO1 34a_100016294078_200009813554 [0,1,0,1,0,0|1,0,0]=3 797 B18R1.317 CC1CC=CCC1CNCCCCCCCCO 269862a_102515433106_100000117039 [0,1,0,1,0,0|0,0,2]=4 798 B18R1.317 CC1CC=CCC1CNCCCCCCCCO 270004a_102515433106_100000117039 [0,1,0,1,0,0|0,0,2]=4 799 B18R1.317 CC1CC=CCC1COCCCCCCCCO 34a_100000211322_100000033203 [0,1,0,1,0,0|0,0,2]=4 800 B18R1.317 CCC/C=C/C=C/COCCC1CCCCN1C 34a_100016294078_100000211948 [0,1,0,1,0,0|2,0,0]=4 801 B18R1.317 CCCC/C=C/CCCCOC1CCCCC1O 34a_200020645093_100000038908 [0,1,0,1,0,0|0,0,2]=4 802 B18R1.317 CCCCC/C=C\CCCOC1CCCCC1O 34a_100020655193_100000038908 [0,1,0,1,0,0|0,0,2]=4 803 B18R1.317 C[n+]1ccccc1SCCCCCCCCCO 62a_100009813782_100000212160 [0,1,0,1,0,0|1,0,1]=4 804 B18R1.317 Cc1ccccc1CCNCCCCCCCO 2230a_100000685071_100000760002 [0,1,0,1,0,0|0,0,2]=4 805 B18R1.317 Cc1ccccc1CCNCCCCCCCO 2230a_100011996573_100011713688 [0,1,0,1,0,0|0,0,2]=4 806 B18R1.317 Cc1ccccc1CCNCCCCCCCO 34a_100000685071_100000760002 [0,1,0,1,0,0|0,0,2]=4 807 B18R1.317 Cc1ccccc1CCNCCCCCCCO 34a_100011996573_100011713688 [0,1,0,1,0,0|0,0,2]=4 808 B18R1.317 Cc1ccccc1CCOCCCCCCCO 34a_100011220023_100000760002 [0,1,0,1,0,0|0,0,2]=4 809 B18R1.317 Cc1ccccc1CCOCCCCCCCO 7a_100011220023_100000760002 [0,1,0,1,0,0|0,0,2]=4 810 B18R1.317 Cc1ccccc1CCSCCCCCCCO 62a_100000760002_100011713688 [0,1,0,1,0,0|0,0,2]=4 811 B18R1.317 Cc1ccccc1CCSCCCCCCCO 62a_100011713688_100000760002 [0,1,0,1,0,0|0,0,2]=4 812 B18R1.317 Cc1ccccc1CNCCCCCCCCO 207a_102515433106_100000211143 [0,1,0,1,0,0|0,0,2]=4 813 B18R1.317 Cc1ccccc1CNCCCCCCCCO 2230a_102515433106_100000211839 [0,1,0,1,0,0|0,0,2]=4 814 B18R1.317 Cc1ccccc1CNCCCCCCCCO 270004a_102515433106_100000211143 [0,1,0,1,0,0|0,0,2]=4 815 B18R1.317 Cc1ccccc1CNCCCCCCCCO 34a_100000174972_100000033203 [0,1,0,1,0,0|0,0,2]=4 816 B18R1.317 Cc1ccccc1CNCCCCCCCCO 34a_102515433106_100000211839 [0,1,0,1,0,0|0,0,2]=4 817 B18R1.317 Cc1ccccc1COCCCCCCCCO 34a_100000698903_100000033203 [0,1,0,1,0,0|0,0,2]=4 818 B18R1.317 Cc1ccccc1COCCCCCCCCO 7a_100000698903_100000033203 [0,1,0,1,0,0|0,0,2]=4 819 B18R1.317 Cc1ccccc1CSCCCCCCCCO 62a_100000033203_100000211839 [0,1,0,1,0,0|0,0,2]=4 820 B18R1.317 Cc1ccccc1CSCCCCCCCCO 62a_100000211839_100000033203 [0,1,0,1,0,0|0,0,2]=4 821 B18R1.317 Cc1ccccc1NCCCCCCCCCO 34a_100015192222_100009813782 [0,1,0,1,0,0|0,0,2]=4 822 B18R1.317 Cc1ccccc1OCCCCCCCCCO 34a_100000210338_100009813782 [0,1,0,1,0,0|0,0,2]=4 823 B18R1.317 Cc1ccccc1OCCCCCCCCCO 7a_100000210338_100009813782 [0,1,0,1,0,0|0,0,2]=4 824 B18R1.317 Cc1ccccc1SCCCCCCCCCO 62a_100000210755_100009813782 [0,1,0,1,0,0|0,0,2]=4 825 B18R1.317 Cc1ccccc1SCCCCCCCCCO 62a_100009813782_100000210755 [0,1,0,1,0,0|0,0,2]=4 826 B18R1.317 Cc1ncccc1CNCCCCCCCCO 207a_102515433106_100000751968 [0,1,0,1,0,0|1,0,1]=4 827 B18R1.317 Cc1ncccc1CNCCCCCCCCO 2230a_102515433106_100000732876 [0,1,0,1,0,0|1,0,1]=4 828 B18R1.317 Cc1ncccc1CNCCCCCCCCO 270004a_102515433106_100000751968 [0,1,0,1,0,0|1,0,1]=4 829 B18R1.317 Cc1ncccc1CNCCCCCCCCO 34a_102515433106_100000732876 [0,1,0,1,0,0|1,0,1]=4 830 B18R1.317 Cc1ncccc1COCCCCCCCCO 34a_100000729262_100000033203 [0,1,0,1,0,0|1,0,1]=4 831 B18R1.317 Cc1ncccc1COCCCCCCCCO 7a_100000729262_100000033203 [0,1,0,1,0,0|1,0,1]=4 832 B18R1.317 Cc1ncccc1CSCCCCCCCCO 62a_100000033203_100000732876 [0,1,0,1,0,0|1,0,1]=4 833 B18R1.317 Cc1ncccc1CSCCCCCCCCO 62a_100000732876_100000033203 [0,1,0,1,0,0|1,0,1]=4 834 B18R1.317 Cc1ncccc1OCCCCCCCCCO 34a_100000745507_100009813782 [0,1,0,1,0,0|1,0,1]=4 835 B18R1.317 Cc1ncccc1OCCCCCCCCCO 7a_100000745507_100009813782 [0,1,0,1,0,0|1,0,1]=4 836 B18R1.317 Cc1ncccc1SCCCCCCCCCO 62a_100000751574_100009813782 [0,1,0,1,0,0|1,0,1]=4 837 B18R1.317 Cc1ncccc1SCCCCCCCCCO 62a_100009813782_100000751574 [0,1,0,1,0,0|1,0,1]=4 838 B18R1.318 CCC1C=CCN1CCCCCCCCCCO 2230a_100000730860_100009813290 [0,1,0,1,0,0|0,0,2]=4 839 B18R1.318 CCC1C=CCN1CCCCCCCCCCO 269982a_100000730860_100009813290 [0,1,0,1,0,0|0,0,2]=4 840 B18R1.318 CCC1C=CCN1CCCCCCCCCCO 34a_100000730860_100009813290 [0,1,0,1,0,0|0,0,2]=4 841 B18R1.318 CCCCCCCCCNCc1cccn1CC 2230a_103496549365_100011214924 [0,1,0,1,0,0|2,0,0]=4 842 B18R1.318 CCCCCCCCCNCc1cccn1CC 270004a_100000212291_100011302050 [0,1,0,1,0,0|2,0,0]=4 843 B18R1.318 CCCCCCCCCNCc1cccn1CC 34a_103496549365_100011214924 [0,1,0,1,0,0|2,0,0]=4 844 B18R1.318 CCn1cccc1CNCCCCCCCCO 2230a_103496549365_100000033203 [0,1,0,1,0,0|1,0,0]=3 845 B18R1.318 CCn1cccc1CNCCCCCCCCO 270004a_102515433106_100011302050 [0,1,0,1,0,0|1,0,0]=3 846 B18R1.318 CCn1cccc1CNCCCCCCCCO 34a_103496549365_100000033203 [0,1,0,1,0,0|1,0,0]=3 847 B18R1.318 CCn1ccnc1CNCCCCCCCCO 207a_102515433106_100000748659 [0,1,0,1,0,0|2,0,0]=4 848 B18R1.318 CCn1ccnc1CNCCCCCCCCO 270004a_102515433106_100000748659 [0,1,0,1,0,0|2,0,0]=4 849 B18R1.318 CCn1ccnc1COCCCCCCCCO 7a_100000740674_100000033203 [0,1,0,1,0,0|2,0,0]=4 850 B18R1.318 CCn1ccnc1SCCCCCCCCCO 62a_100009813782_100011617267 [0,1,0,1,0,0|2,0,0]=4 851 B18R1.318 CCn1ccnc1SCCCCCCCCCO 62a_100011617267_100009813782 [0,1,0,1,0,0|2,0,0]=4 852 B18R1.318 CCn1cncc1CNCCCCCCCCO 207a_102515433106_100011361554 [0,1,0,1,0,0|2,0,0]=4 853 B18R1.318 CCn1cncc1CNCCCCCCCCO 2230a_102515433106_100015185705 [0,1,0,1,0,0|2,0,0]=4 854 B18R1.318 CCn1cncc1CNCCCCCCCCO 270004a_102515433106_100011361554 [0,1,0,1,0,0|2,0,0]=4 855 B18R1.318 CCn1cncc1CNCCCCCCCCO 34a_102515433106_100015185705 [0,1,0,1,0,0|2,0,0]=4 856 B18R1.318 CCn1cncc1CSCCCCCCCCO 62a_100000033203_100015185705 [0,1,0,1,0,0|2,0,0]=4 857 B18R1.318 CCn1cncc1CSCCCCCCCCO 62a_100015185705_100000033203 [0,1,0,1,0,0|2,0,0]=4 858 B18R1.318 CCn1nccc1CNCCCCCCCCO 207a_102515433106_100000763647 [0,1,0,1,0,0|2,0,0]=4 859 B18R1.318 CCn1nccc1CNCCCCCCCCO 2230a_102515433106_100025719316 [0,1,0,1,0,0|2,0,0]=4 860 B18R1.318 CCn1nccc1CNCCCCCCCCO 270004a_102515433106_100000763647 [0,1,0,1,0,0|2,0,0]=4 861 B18R1.318 CCn1nccc1CNCCCCCCCCO 34a_102515433106_100025719316 [0,1,0,1,0,0|2,0,0]=4 862 B18R1.318 CCn1nccc1COCCCCCCCCO 34a_100011962870_100000033203 [0,1,0,1,0,0|2,0,0]=4 863 B18R1.318 CCn1nccc1CSCCCCCCCCO 62a_100000033203_100025719316 [0,1,0,1,0,0|2,0,0]=4 864 B18R1.318 CCn1nccc1CSCCCCCCCCO 62a_100025719316_100000033203 [0,1,0,1,0,0|2,0,0]=4 865 B18R1.318 CCn1nccc1OCCCCCCCCCO 34a_100012181048_100009813782 [0,1,0,1,0,0|2,0,0]=4 866 B18R1.318 CCn1nccc1SCCCCCCCCCO 62a_100000728327_100009813782 [0,1,0,1,0,0|2,0,0]=4 867 B18R1.318 CCn1nccc1SCCCCCCCCCO 62a_100009813782_100000728327 [0,1,0,1,0,0|2,0,0]=4 868 B18R1.1261 CCC/C=C/C=C/COCCCN1CCCCC1 34a_100016294078_100000690320 [0,1,0,1,0,0|2,0,0]=4 869 B18R1.1261 CCC/C=C/C=C/COCCOC1CCCCC1 34a_100016294078_100011211530 [0,1,0,1,0,0|2,0,0]=4 870 B18R1.1261 CCC/C=C/C=C/COCCOC1CCCCO1 34a_100016294078_100000744793 [0,1,0,1,0,0|1,0,0]=3 871 B18R1.1261 CCC/C=C/COCCCCOC1CCCCO1 34a_100016278788_100000031530 [0,1,0,1,0,0|1,0,1]=4 872 B18R1.1261 CCC/C=C/COCCCCOC1CCCCO1 7a_100016278788_100000031530 [0,1,0,1,0,0|1,0,1]=4 873 B18R1.1261 CCCC/C=C/CCCCOCC1CCCCO1 34a_200020645093_100000211543 [0,1,0,1,0,0|0,0,2]=4 874 B18R1.1261 CCCC/C=C/CCCCOCC1CCCCO1 7a_200020645093_100000211543 [0,1,0,1,0,0|0,0,2]=4 875 B18R1.1261 CCCCC/C=C\CCCOCC1CCCCO1 34a_100020655193_100000211543 [0,1,0,1,0,0|0,0,2]=4 876 B18R1.1261 CCCCC/C=C\CCCOCC1CCCCO1 7a_100020655193_100000211543 [0,1,0,1,0,0|0,0,2]=4 877 B18R1.1261 OCCCCCCCCCCNC1C=CCCC1 2230a_100000066964_100000751183 [0,1,0,1,0,0|0,0,2]=4 878 B18R1.1261 OCCCCCCCCCCOC1C=CCCC1 34a_100011215024_100009813290 [0,1,0,1,0,0|0,0,2]=4 879 B18R1.1261 OCCCCCCCCCCSC1C=CCCC1 62a_100000751183_200000033068 [0,1,0,1,0,0|0,0,2]=4 880 B18R1.1261 OCCCCCCCCCCSC1C=CCCC1 62a_100009813290_100000751183 [0,1,0,1,0,0|0,0,2]=4 881 B18R1.1261 OCCCCCCCCCNCC1=CCCSC1 270004a_100000078944_100000707794 [0,1,0,1,0,0|1,0,1]=4 882 B18R1.1261 OCCCCCCCCNCCC1=CCCCC1 2230a_100000212019_100000033203 [0,1,0,1,0,0|0,0,2]=4 883 B18R1.1261 OCCCCCCCCNCCC1=CCCCC1 34a_100000212019_100000033203 [0,1,0,1,0,0|0,0,2]=4 884 B18R1.4113 CCc1ccccc1CCNCCCCCCO 2230a_100011663701_100000766143 [0,1,0,1,0,0|0,0,2]=4 885 B18R1.4113 CCc1ccccc1CCNCCCCCCO 34a_100011663701_100000766143 [0,1,0,1,0,0|0,0,2]=4 886 B18R1.4113 CCc1ccccc1CNCCCCCCCO 207a_100011996573_100011219594 [0,1,0,1,0,0|0,0,2]=4 887 B18R1.4113 CCc1ccccc1CNCCCCCCCO 270004a_100011996573_100011219594 [0,1,0,1,0,0|0,0,2]=4 888 B18R1.4113 CCc1ccccc1COCCCCCCCO 34a_100011663872_100000760002 [0,1,0,1,0,0|0,0,2]=4 889 B18R1.4113 CCc1ccccc1COCCCCCCCO 7a_100011663872_100000760002 [0,1,0,1,0,0|0,0,2]=4 890 B18R1.4113 CCc1ccccc1NCCCCCCCCO 2230a_100000212081_100000033203 [0,1,0,1,0,0|0,0,2]=4 891 B18R1.4113 CCc1ccccc1NCCCCCCCCO 34a_100000212081_100000033203 [0,1,0,1,0,0|0,0,2]=4 892 B18R1.4113 CCc1ccccc1NCCCCCCCCO 7a_100000212081_100000033203 [0,1,0,1,0,0|0,0,2]=4 893 B18R1.4113 CCc1ccccc1OCCCCCCCCO 34a_100000210936_100000033203 [0,1,0,1,0,0|0,0,2]=4 894 B18R1.4113 CCc1ccccc1OCCCCCCCCO 7a_100000210936_100000033203 [0,1,0,1,0,0|0,0,2]=4 895 B18R1.4113 CCc1ccccc1SCCCCCCCCO 62a_100000033203_100011215823 [0,1,0,1,0,0|0,0,2]=4 896 B18R1.4113 CCc1ccccc1SCCCCCCCCO 62a_100011215823_100000033203 [0,1,0,1,0,0|0,0,2]=4 897 B18R1.4113 CCc1ccncc1SCCCCCCCCO 62a_100000033203_100009819861 [0,1,0,1,0,0|1,0,1]=4 898 B18R1.4113 CCc1ccncc1SCCCCCCCCO 62a_100009819861_100000033203 [0,1,0,1,0,0|1,0,1]=4 899 B18R1.4113 CCc1cnccc1SCCCCCCCCO 62a_100000033203_100025704421 [0,1,0,1,0,0|1,0,1]=4 900 B18R1.4113 CCc1cnccc1SCCCCCCCCO 62a_100025704421_100000033203 [0,1,0,1,0,0|1,0,1]=4 901 B18R1.4113 CCc1ncccc1SCCCCCCCCO 62a_100000033203_100009877225 [0,1,0,1,0,0|1,0,1]=4 902 B18R1.4113 CCc1ncccc1SCCCCCCCCO 62a_100009877225_100000033203 [0,1,0,1,0,0|1,0,1]=4 903 B18R1.5443 CCCCC1C=CCN1CCCCCCCCO 2230a_100015184376_100000033203 [0,1,0,1,0,0|0,0,2]=4 904 B18R1.5443 CCCCC1C=CCN1CCCCCCCCO 269982a_100015184376_100000033203 [0,1,0,1,0,0|0,0,2]=4 905 B18R1.5443 CCCCC1C=CCN1CCCCCCCCO 34a_100015184376_100000033203 [0,1,0,1,0,0|0,0,2]=4 906 B18R1.35414 CCCc1ccccc1NCCCCCCCO 2230a_100000737634_100000760002 [0,1,0,1,0,0|0,0,2]=4 907 B18R1.35414 CCCc1ccccc1NCCCCCCCO 34a_100000737634_100000760002 [0,1,0,1,0,0|0,0,2]=4 908 B18R1.35414 CCCc1ccccc1NCCCCCCCO 7a_100000737634_100000760002 [0,1,0,1,0,0|0,0,2]=4 909 B18R1.35414 CCCc1ccccc1OCCCCCCCO 34a_100011217252_100000760002 [0,1,0,1,0,0|0,0,2]=4 910 B18R1.35414 CCCc1ccccc1OCCCCCCCO 7a_100011217252_100000760002 [0,1,0,1,0,0|0,0,2]=4 911 B18R1.40540 CCCn1ccnc1CNCCCCCCCO 207a_100011996573_100011628053 [0,1,0,1,0,0|2,0,0]=4 912 B18R1.40540 CCCn1ccnc1CNCCCCCCCO 270004a_100011996573_100011628053 [0,1,0,1,0,0|2,0,0]=4 913 B18R1.40540 CCCn1nccc1CNCCCCCCCO 207a_100011996573_100000708463 [0,1,0,1,0,0|2,0,0]=4 914 B18R1.40540 CCCn1nccc1CNCCCCCCCO 270004a_100011996573_100000708463 [0,1,0,1,0,0|2,0,0]=4 915 B18R1.40540 CNCc1ccsc1SCCCCCCCCO 62a_100000033203_100009817074 [0,1,0,1,0,0|2,0,0]=4 916 B18R1.40540 CNCc1ccsc1SCCCCCCCCO 62a_100009817074_100000033203 [0,1,0,1,0,0|2,0,0]=4 917 B18R1.40540 CNCc1cscc1SCCCCCCCCO 62a_100000033203_100011935083 [0,1,0,1,0,0|2,0,0]=4 918 B18R1.40540 CNCc1cscc1SCCCCCCCCO 62a_100011935083_100000033203 [0,1,0,1,0,0|2,0,0]=4 919 B18R1.40540 CNCc1sccc1SCCCCCCCCO 62a_100000033203_100000767120 [0,1,0,1,0,0|2,0,0]=4 920 B18R1.40540 CNCc1sccc1SCCCCCCCCO 62a_100000767120_100000033203 [0,1,0,1,0,0|2,0,0]=4 921 B18R1.40549 OCCCCCCCCNC1CC/C=C\CCC1 34a_102515433106_100021000466 [0,1,0,1,0,0|0,0,2]=4 922 B18R1.40549 OCCCCCCCCOC1C=CCCCCC1 34a_100000688657_100000033203 [0,1,0,1,0,0|0,0,2]=4 923 B18R1.40549 OCCCCCCCCOC1CC/C=C\CCC1 34a_100016989180_100000033203 [0,1,0,1,0,0|0,0,2]=4 924 B18R1.40549 OCCCCCCCCSC1CC/C=C\CCC1 62a_100000033203_100021000466 [0,1,0,1,0,0|0,0,2]=4 925 B18R1.40549 OCCCCCCCCSC1CC/C=C\CCC1 62a_100021000466_100000033203 [0,1,0,1,0,0|0,0,2]=4 926 B18R1.40549 OCCCCCCCNCC1CC/C=C\CCC1 2230a_100102730862_100000760002 [0,1,0,1,0,0|0,0,2]=4 927 B18R1.40549 OCCCCCCCNCC1CC/C=C\CCC1 34a_100102730862_100000760002 [0,1,0,1,0,0|0,0,2]=4 928 B18R1.13155 CCn1ccc(n1)SCCCCCCCCCO 62a_100009813782_100012350556 [0,1,0,1,0,0|2,0,0]=4 929 B18R1.13155 CCn1ccc(n1)SCCCCCCCCCO 62a_100012350556_100009813782 [0,1,0,1,0,0|2,0,0]=4 930 B18R1.21925 CC[n+]1cccc(c1)OCCCCCCCCO 34a_100000731997_100000033203 [0,1,0,1,0,0|2,0,0]=4 931 B18R1.21925 CC[n+]1cccc(c1)OCCCCCCCCO 7a_100000731997_100000033203 [0,1,0,1,0,0|2,0,0]=4 932 B18R1.21925 CCc1cccc(c1)CNCCCCCCCO 207a_100011996573_100011999841 [0,1,0,1,0,0|1,0,1]=4 933 B18R1.21925 CCc1cccc(c1)CNCCCCCCCO 270004a_100011996573_100011999841 [0,1,0,1,0,0|1,0,1]=4 934 B18R1.21925 CCc1cccc(c1)NCCCCCCCCO 2230a_100000211250_100000033203 [0,1,0,1,0,0|1,0,1]=4 935 B18R1.21925 CCc1cccc(c1)NCCCCCCCCO 34a_100000211250_100000033203 [0,1,0,1,0,0|1,0,1]=4 936 B18R1.21925 CCc1cccc(c1)NCCCCCCCCO 7a_100000211250_100000033203 [0,1,0,1,0,0|1,0,1]=4 937 B18R1.21925 CCc1cccc(c1)OCCCCCCCCO 34a_100000211550_100000033203 [0,1,0,1,0,0|1,0,1]=4 938 B18R1.21925 CCc1cccc(c1)OCCCCCCCCO 7a_100000211550_100000033203 [0,1,0,1,0,0|1,0,1]=4 939 B18R1.21925 CCc1cccc(c1)SCCCCCCCCO 62a_100000033203_100011263222 [0,1,0,1,0,0|1,0,1]=4 940 B18R1.21925 CCc1cccc(c1)SCCCCCCCCO 62a_100011263222_100000033203 [0,1,0,1,0,0|1,0,1]=4 941 B18R1.21925 CCc1cccc(n1)SCCCCCCCCO 62a_100000033203_100009856026 [0,1,0,1,0,0|1,0,1]=4 942 B18R1.21925 CCc1cccc(n1)SCCCCCCCCO 62a_100009856026_100000033203 [0,1,0,1,0,0|1,0,1]=4 943 B18R1.13739 CCCCCCCCCCC=CC(=O)N1CCC1 11a_100000754969_100015291182 [0,1,0,1,0,0|2,0,0]=4 944 B18R1.13739 CCCCCCCCCCC=CC(=O)N1CCC1 240690a_100000754969_100015291182 [0,1,0,1,0,0|2,0,0]=4 945 B18R1.13741 CCCCCCCCCCC=CC(=O)NC1CC1 1626a_100000212008_100015291182 [0,1,0,1,0,0|2,0,0]=4 946 B18R1.13741 CCCCCCCCCCC=CC(=O)NC1CC1 240690a_100000212008_100015291182 [0,1,0,1,0,0|2,0,0]=4 947 B18R1.180546 CCC/C=C/C=C/COCCCC1(OCCO1)C 34a_100016294078_100000037737 [0,1,0,1,0,0|2,0,0]=4 948 B18R1.13447 CCCc1cccc(c1)OCCCCCCCO 34a_100000039106_100000760002 [0,1,0,1,0,0|1,0,1]=4 949 B18R1.13447 CCCc1cccc(c1)OCCCCCCCO 7a_100000039106_100000760002 [0,1,0,1,0,0|1,0,1]=4 950 B18R1.13447 CCCc1cccc(c1)SCCCCCCCO 62a_100000694964_100000760002 [0,1,0,1,0,0|1,0,1]=4 951 B18R1.13447 CCCc1cccc(c1)SCCCCCCCO 62a_100000760002_100000694964 [0,1,0,1,0,0|1,0,1]=4 952 B18R1.40560 CCCCCCCCCCc1ccc(o1)CNC 271570a_100000061613_100000207588 [0,1,0,1,0,0|2,0,0]=4 953 B18R1.40560 CCCCCCCCCCc1ccn(n1)CCC 271570a_100000061613_100012457951 [0,1,0,1,0,0|2,0,0]=4 954 B18R1.40560 CCCc1ccc(s1)CNCCCCCCCO 207a_100011996573_100000085172 [0,1,0,1,0,0|1,0,0]=3 955 B18R1.40560 CCCc1ccc(s1)CNCCCCCCCO 270004a_100011996573_100000085172 [0,1,0,1,0,0|1,0,0]=3 956 B18R1.40560 CCCc1ccc(s1)CNCCCOCCCO 207a_100011310245_100000085172 [0,1,0,1,0,0|2,0,0]=4 957 B18R1.40560 CCCc1ccc(s1)CNCCCOCCCO 270004a_100011310245_100000085172 [0,1,0,1,0,0|2,0,0]=4 958 B18R1.40560 CCCc1nc(cs1)CNCCCCCCCO 2230a_100011996573_100000736013 [0,1,0,1,0,0|2,0,0]=4 959 B18R1.40560 CCCc1nc(cs1)CNCCCCCCCO 34a_100011996573_100000736013 [0,1,0,1,0,0|2,0,0]=4 960 B18R1.40560 CCCc1nc(cs1)CSCCCCCCCO 62a_100000736013_100000760002 [0,1,0,1,0,0|2,0,0]=4 961 B18R1.40560 CCCc1nc(cs1)CSCCCCCCCO 62a_100000760002_100000736013 [0,1,0,1,0,0|2,0,0]=4 962 B18R1.40560 CCCc1ncc([nH]1)SCCCCCCCCO 62a_100000033203_200009820212 [0,1,0,1,0,0|2,0,0]=4 963 B18R1.40560 CCCc1ncc([nH]1)SCCCCCCCCO 62a_200009820212_100000033203 [0,1,0,1,0,0|2,0,0]=4 964 B18R1.40560 CCCc1ncc(s1)CNCCCCCCCO 207a_100011996573_200000687269 [0,1,0,1,0,0|2,0,0]=4 965 B18R1.40560 CCCc1ncc(s1)CNCCCCCCCO 270004a_100011996573_200000687269 [0,1,0,1,0,0|2,0,0]=4 966 B18R1.40560 CCCc1noc(n1)CCCCCCCCCO 270196a_100011193412_100000032657 [0,1,0,1,0,0|2,0,0]=4 967 B18R1.40560 CCCn1ccc(n1)SCCCCCCCCO 62a_100000033203_100012457951 [0,1,0,1,0,0|2,0,0]=4 968 B18R1.40560 CCCn1ccc(n1)SCCCCCCCCO 62a_100012457951_100000033203 [0,1,0,1,0,0|2,0,0]=4 969 B18R1.40560 CNCc1ccc(o1)SCCCCCCCCO 62a_100000033203_100000207588 [0,1,0,1,0,0|2,0,0]=4 970 B18R1.40560 COCc1ccc(o1)CNCCCCCCCO 207a_100011996573_100000763659 [0,1,0,1,0,0|2,0,0]=4 971 B18R1.40560 COCc1ccc(o1)CNCCCCCCCO 270004a_100011996573_100000763659 [0,1,0,1,0,0|2,0,0]=4 972 B18R1.40560 NCCc1ccc(s1)SCCCCCCCCO 62a_100000033203_100000217605 [0,1,0,1,0,0|2,0,0]=4 973 B18R1.40560 NCCc1ccc(s1)SCCCCCCCCO 62a_100000217605_100000033203 [0,1,0,1,0,0|2,0,0]=4 974 B18R1.1327 CCCCCCCCCCNC(=O)C1=CCCC1 11a_100000684558_100000038896 [0,1,0,1,0,0|2,0,0]=4 975 B18R1.1327 CCCCCCCCCCNC(=O)C1=CCCC1 1626a_100000684558_100000038896 [0,1,0,1,0,0|2,0,0]=4 976 B18R1.1327 CCCCCCCCCCNC(=O)C1=CCCC1 240690a_100000684558_100000038896 [0,1,0,1,0,0|2,0,0]=4 977 B18R1.1327 O=C(CCCCCCCCCCO)C1=CCCC1 1458a_100000038896_100009813290 [0,1,0,1,0,0|0,0,1]=3 978 B18R1.1327 O=C(CCCCCCCCCCO)C1=CCOC1 1458a_100000139269_100009813290 [0,1,0,1,0,0|1,0,1]=4 979 B18R1.1327 O=C(CCCCCCCCCCO)C1=COCC1 1458a_100000750620_100009813290 [0,1,0,1,0,0|1,0,1]=4 980 B18R1.1327 O=C(NCCCCCCCCCO)C1=CCCC1 240690a_100000078944_100000038896 [0,1,0,1,0,0|1,0,0]=3 981 B18R1.1327 O=C(NCCCCCCCCCO)C1=CCOC1 240690a_100000078944_100000139269 [0,1,0,1,0,0|2,0,0]=4 982 B18R1.1327 O=C(NCCCCCCCCCO)C1=COCC1 240690a_100000078944_100000750620 [0,1,0,1,0,0|2,0,0]=4 983 B18R1.1731 CCCC=CC(=O)CCCCOC1CCCCO1 1458a_100000212230_100000031530 [0,1,0,1,0,0|1,0,1]=4 984 B18R1.1748 CCCC=CC(=O)NCCN1CCCCC1CO 240690a_100011473795_100000212230 [0,1,0,1,0,0|2,0,0]=4 985 B18R1.3010 CCCC=CC(=O)NCCC1CCCCCCC1 11a_100011532352_100000212230 [0,1,0,1,0,0|2,0,0]=4 986 B18R1.3010 CCCC=CC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000212230 [0,1,0,1,0,0|2,0,0]=4 987 B18R1.3010 CCCC=CC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000212230 [0,1,0,1,0,0|2,0,0]=4 988 B18R1.41513 CCCCCCCCCCNC(=O)C=C1CCC1 11a_100000684558_100000686340 [0,1,0,1,0,0|2,0,0]=4 989 B18R1.41513 CCCCCCCCCCNC(=O)C=C1CCC1 240690a_100000684558_100000686340 [0,1,0,1,0,0|2,0,0]=4 990 B18R1.41513 O=C(C=C1CCC1)CCCCCCCCCCO 1458a_100000686340_100009813290 [0,1,0,1,0,0|0,0,1]=3 991 B18R1.41513 O=C(C=C1CCC1)NCCCCCCCCCO 240690a_100000078944_100000686340 [0,1,0,1,0,0|1,0,0]=3 992 B18R1.41514 CCCCCCCCCCNC(=O)C=CC1CC1 11a_100000684558_100102529529 [0,1,0,1,0,0|2,0,0]=4 993 B18R1.41514 CCCCCCCCCCNC(=O)C=CC1CC1 1626a_100000684558_100102529529 [0,1,0,1,0,0|2,0,0]=4 994 B18R1.41514 CCCCCCCCCCNC(=O)C=CC1CC1 240690a_100000684558_100102529529 [0,1,0,1,0,0|2,0,0]=4 995 B18R1.41514 O=C(C=CC1CC1)CCCCCCCCCCO 1458a_100102529529_100009813290 [0,1,0,1,0,0|0,0,1]=3 996 B18R1.41514 O=C(C=CC1CC1)NCCCCCCCCCO 240690a_100000078944_100102529529 [0,1,0,1,0,0|1,0,0]=3 997 B18R1.346 O=C(C=CC1=CCCC1)CCCCCCCCO 1458a_100016262312_100000033203 [0,1,0,1,0,0|0,0,1]=3 998 B18R1.346 O=C(C=CC1=CCCC1)NCCCCCCCO 240690a_100011996573_100016262312 [0,1,0,1,0,0|1,0,1]=4 999 B18R1.5357 CCC/C=C/C=CC(=O)CCOC1CCCCO1 1458a_200016258893_100000744793 [0,1,0,1,0,0|1,0,1]=4 1000 B18R1.5357 CCC/C=C/C=CC(=O)NCCC1CCCCO1 11a_100015183643_200016258893 [0,1,0,1,0,0|1,0,1]=4 1001 B18R1.5357 CCC/C=C/C=CC(=O)NCCC1CCCCO1 1626a_100015183643_200016258893 [0,1,0,1,0,0|1,0,1]=4 1002 B18R1.5357 CCC/C=C/C=CC(=O)NCCC1CCCCO1 240690a_100015183643_200016258893 [0,1,0,1,0,0|1,0,1]=4 1003 B18R1.10542 CCC/C=C/C=CC(=O)NCC1CCCCC1O 240690a_100011216029_200016258893 [0,1,0,1,0,0|1,0,1]=4 1004 B18R1.10554 CCC/C=C/C=CC(=O)CCCCC1OCCO1 1458a_200016258893_100000034956 [0,1,0,1,0,0|1,0,1]=4 1005 B18R1.10574 CCC/C=C/C=CC(=O)N1CCCCC1CCO 240690a_100000211664_200016258893 [0,1,0,1,0,0|1,0,1]=4 1006 B18R1.24270 CCn1cccc1C(C)NCCCCCCCO 269862a_100011996573_100011934003 [0,1,0,1,0,0|2,0,0]=4 1007 B18R1.352 O=C(C=C1CCCC1)CCCCCCCCCO 1458a_100000743260_100009813782 [0,1,0,1,0,0|0,0,1]=3 1008 B18R1.352 O=C(C=C1CCCC1)NCCCCCCCCO 240690a_102515433106_100000743260 [0,1,0,1,0,0|1,0,1]=4 1009 B18R1.352 O=C(CC1=CCCC1)NCCCCCCCCO 240690a_102515433106_100000050221 [0,1,0,1,0,0|1,0,1]=4 1010 B18R1.352 O=C(CCCCCCCCCO)CC1=CCCC1 1458a_100000050221_100009813782 [0,1,0,1,0,0|0,0,1]=3 1011 B18R1.1146 CCCCCCCCCCC(=O)C1=COCCC1 1458a_100000749935_100000210319 [0,1,0,1,0,0|2,0,0]=4 1012 B18R1.1146 O=C(CCCCCCCCCO)C1=CCCCC1 1458a_100000765259_100009813782 [0,1,0,1,0,0|0,0,1]=3 1013 B18R1.1146 O=C(CCCCCCCCCO)C1=CCCCO1 1458a_100000764163_100009813782 [0,1,0,1,0,0|1,0,1]=4 1014 B18R1.1146 O=C(CCCCCCCCCO)C1=COCCC1 1458a_100000749935_100009813782 [0,1,0,1,0,0|1,0,0]=3 1015 B18R1.1146 O=C(CCCCCCCCCO)C1=COCCO1 1458a_100000008702_100009813782 [0,1,0,1,0,0|2,0,0]=4 1016 B18R1.1146 O=C(NCCCCCCCCO)C1=CCCCC1 240690a_102515433106_100000765259 [0,1,0,1,0,0|1,0,1]=4 1017 B18R1.5198 CCC/C=C/CC(=O)CCCOC1CCCCO1 1458a_200016266809_100000700653 [0,1,0,1,0,0|1,0,1]=4 1018 B18R1.5198 CCCCC=CC(=O)CCCOC1CCCCO1 1458a_100016266645_100000700653 [0,1,0,1,0,0|1,0,1]=4 1019 B18R1.5234 CCC/C=C/CC(=O)N1CCCCC1CCCO 240690a_100011934581_200016266809 [0,1,0,1,0,0|1,0,1]=4 1020 B18R1.5234 CCCCC=CC(=O)N1CCCCC1CCCO 240690a_100011934581_100016266645 [0,1,0,1,0,0|1,0,1]=4 1021 B18R2.3231 CCn1cccc1CNCCC2CCCCO2 270004a_100015183643_100011302050 [0,0,0,2,0,0|2,0,0]=4 1022 B18R2.20865 CCn1cccc1CNCC2CCCCC2O 270004a_100011216029_100011302050 [0,0,0,2,0,0|2,0,0]=4 1023 B18R2.75677 CCn1cccc1CN2CCCCC2CCO 270004a_100000211664_100011302050 [0,0,0,2,0,0|2,0,0]=4 1024 B18R2.98335 CCC1c2cccn2CCN1CCCCCO 2230a_100000068711_100000746330 [0,0,0,2,0,0|2,0,0]=4 1025 B18R2.98335 CCC1c2cccn2CCN1CCCCCO 269982a_100000068711_100000746330 [0,0,0,2,0,0|2,0,0]=4 1026 B18R2.98335 CCC1c2cccn2CCN1CCCCCO 34a_100000068711_100000746330 [0,0,0,2,0,0|2,0,0]=4